----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:45:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.315493590000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.265482920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.052546370000000 Atomic positions (fractional): *1 Lu 0.43342673121796 0.75000000000000 0.01771733921391 174.967 2 Lu 0.93342673121796 0.75000000000000 0.48228266078609 174.967 3 Lu 0.06657326878204 0.25000000000000 0.51771733921391 174.967 4 Lu 0.56657326878204 0.25000000000000 0.98228266078609 174.967 *5 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 6 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 7 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 8 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 *9 O 0.96796814088789 0.25000000000000 0.10238077587437 15.999 *10 O 0.69867974557517 0.55286925376847 0.19653701791156 15.999 11 O 0.69867974557517 0.94713074623153 0.19653701791156 15.999 12 O 0.19867974557517 0.94713074623153 0.30346298208844 15.999 13 O 0.19867974557517 0.55286925376847 0.30346298208844 15.999 14 O 0.46796814088789 0.25000000000000 0.39761922412563 15.999 15 O 0.53203185911211 0.75000000000000 0.60238077587437 15.999 16 O 0.80132025442483 0.05286925376847 0.69653701791156 15.999 17 O 0.80132025442483 0.44713074623153 0.69653701791156 15.999 18 O 0.30132025442483 0.05286925376847 0.80346298208844 15.999 19 O 0.30132025442483 0.44713074623153 0.80346298208844 15.999 20 O 0.03203185911211 0.75000000000000 0.89761922412563 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.315493590000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.265482920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.052546370000000 Atomic positions (fractional): *1 Lu 0.43342673121796 0.75000000000000 0.01771733921391 174.967 > 1 2 Lu 0.93342673121796 0.75000000000000 0.48228266078609 174.967 > 2 3 Lu 0.06657326878204 0.25000000000000 0.51771733921391 174.967 > 3 4 Lu 0.56657326878204 0.25000000000000 0.98228266078609 174.967 > 4 *5 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 5 6 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 6 7 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 7 8 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 8 *9 O 0.96796814088789 0.25000000000000 0.10238077587437 15.999 > 9 *10 O 0.69867974557517 0.55286925376847 0.19653701791156 15.999 > 10 11 O 0.69867974557517 0.94713074623153 0.19653701791156 15.999 > 11 12 O 0.19867974557517 0.94713074623153 0.30346298208844 15.999 > 12 13 O 0.19867974557517 0.55286925376847 0.30346298208844 15.999 > 13 14 O 0.46796814088789 0.25000000000000 0.39761922412563 15.999 > 14 15 O 0.53203185911211 0.75000000000000 0.60238077587437 15.999 > 15 16 O 0.80132025442483 0.05286925376847 0.69653701791156 15.999 > 16 17 O 0.80132025442483 0.44713074623153 0.69653701791156 15.999 > 17 18 O 0.30132025442483 0.05286925376847 0.80346298208844 15.999 > 18 19 O 0.30132025442483 0.44713074623153 0.80346298208844 15.999 > 19 20 O 0.03203185911211 0.75000000000000 0.89761922412563 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.630987180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.265482920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.105092740000000 Atomic positions (fractional): *1 Lu 0.21671336560898 0.75000000000000 0.00885866960696 174.967 > 1 2 Lu 0.71671336560898 0.75000000000000 0.00885866960696 174.967 > 1 3 Lu 0.21671336560898 0.75000000000000 0.50885866960696 174.967 > 1 4 Lu 0.71671336560898 0.75000000000000 0.50885866960696 174.967 > 1 5 Lu 0.46671336560898 0.75000000000000 0.24114133039304 174.967 > 2 6 Lu 0.96671336560898 0.75000000000000 0.24114133039304 174.967 > 2 7 Lu 0.46671336560898 0.75000000000000 0.74114133039304 174.967 > 2 8 Lu 0.96671336560898 0.75000000000000 0.74114133039304 174.967 > 2 9 Lu 0.03328663439102 0.25000000000000 0.25885866960696 174.967 > 3 10 Lu 0.53328663439102 0.25000000000000 0.25885866960696 174.967 > 3 11 Lu 0.03328663439102 0.25000000000000 0.75885866960696 174.967 > 3 12 Lu 0.53328663439102 0.25000000000000 0.75885866960696 174.967 > 3 13 Lu 0.28328663439102 0.25000000000000 0.49114133039304 174.967 > 4 14 Lu 0.78328663439102 0.25000000000000 0.49114133039304 174.967 > 4 15 Lu 0.28328663439102 0.25000000000000 0.99114133039304 174.967 > 4 16 Lu 0.78328663439102 0.25000000000000 0.99114133039304 174.967 > 4 *17 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 5 18 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 5 19 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 5 20 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 5 21 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 6 22 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 6 23 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 6 24 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 6 25 Al 0.25000000000000 0.00000000000000 0.25000000000000 26.982 > 7 26 Al 0.75000000000000 0.00000000000000 0.25000000000000 26.982 > 7 27 Al 0.25000000000000 0.00000000000000 0.75000000000000 26.982 > 7 28 Al 0.75000000000000 0.00000000000000 0.75000000000000 26.982 > 7 29 Al 0.25000000000000 0.50000000000000 0.25000000000000 26.982 > 8 30 Al 0.75000000000000 0.50000000000000 0.25000000000000 26.982 > 8 31 Al 0.25000000000000 0.50000000000000 0.75000000000000 26.982 > 8 32 Al 0.75000000000000 0.50000000000000 0.75000000000000 26.982 > 8 *33 O 0.48398407044394 0.25000000000000 0.05119038793719 15.999 > 9 34 O 0.98398407044394 0.25000000000000 0.05119038793719 15.999 > 9 35 O 0.48398407044394 0.25000000000000 0.55119038793719 15.999 > 9 36 O 0.98398407044394 0.25000000000000 0.55119038793719 15.999 > 9 *37 O 0.34933987278758 0.55286925376847 0.09826850895578 15.999 > 10 38 O 0.84933987278758 0.55286925376847 0.09826850895578 15.999 > 10 39 O 0.34933987278758 0.55286925376847 0.59826850895578 15.999 > 10 40 O 0.84933987278758 0.55286925376847 0.59826850895578 15.999 > 10 41 O 0.34933987278758 0.94713074623153 0.09826850895578 15.999 > 11 42 O 0.84933987278758 0.94713074623153 0.09826850895578 15.999 > 11 43 O 0.34933987278758 0.94713074623153 0.59826850895578 15.999 > 11 44 O 0.84933987278758 0.94713074623153 0.59826850895578 15.999 > 11 45 O 0.09933987278758 0.94713074623153 0.15173149104422 15.999 > 12 46 O 0.59933987278758 0.94713074623153 0.15173149104422 15.999 > 12 47 O 0.09933987278758 0.94713074623153 0.65173149104422 15.999 > 12 48 O 0.59933987278758 0.94713074623153 0.65173149104422 15.999 > 12 49 O 0.09933987278758 0.55286925376847 0.15173149104422 15.999 > 13 50 O 0.59933987278758 0.55286925376847 0.15173149104422 15.999 > 13 51 O 0.09933987278758 0.55286925376847 0.65173149104422 15.999 > 13 52 O 0.59933987278758 0.55286925376847 0.65173149104422 15.999 > 13 53 O 0.23398407044394 0.25000000000000 0.19880961206281 15.999 > 14 54 O 0.73398407044394 0.25000000000000 0.19880961206281 15.999 > 14 55 O 0.23398407044394 0.25000000000000 0.69880961206281 15.999 > 14 56 O 0.73398407044394 0.25000000000000 0.69880961206281 15.999 > 14 57 O 0.26601592955606 0.75000000000000 0.30119038793719 15.999 > 15 58 O 0.76601592955606 0.75000000000000 0.30119038793719 15.999 > 15 59 O 0.26601592955606 0.75000000000000 0.80119038793719 15.999 > 15 60 O 0.76601592955606 0.75000000000000 0.80119038793719 15.999 > 15 61 O 0.40066012721242 0.05286925376847 0.34826850895578 15.999 > 16 62 O 0.90066012721242 0.05286925376847 0.34826850895578 15.999 > 16 63 O 0.40066012721242 0.05286925376847 0.84826850895578 15.999 > 16 64 O 0.90066012721242 0.05286925376847 0.84826850895578 15.999 > 16 65 O 0.40066012721242 0.44713074623153 0.34826850895578 15.999 > 17 66 O 0.90066012721242 0.44713074623153 0.34826850895578 15.999 > 17 67 O 0.40066012721242 0.44713074623153 0.84826850895578 15.999 > 17 68 O 0.90066012721242 0.44713074623153 0.84826850895578 15.999 > 17 69 O 0.15066012721242 0.05286925376847 0.40173149104422 15.999 > 18 70 O 0.65066012721242 0.05286925376847 0.40173149104422 15.999 > 18 71 O 0.15066012721242 0.05286925376847 0.90173149104422 15.999 > 18 72 O 0.65066012721242 0.05286925376847 0.90173149104422 15.999 > 18 73 O 0.15066012721242 0.44713074623153 0.40173149104422 15.999 > 19 74 O 0.65066012721242 0.44713074623153 0.40173149104422 15.999 > 19 75 O 0.15066012721242 0.44713074623153 0.90173149104422 15.999 > 19 76 O 0.65066012721242 0.44713074623153 0.90173149104422 15.999 > 19 77 O 0.01601592955606 0.75000000000000 0.44880961206281 15.999 > 20 78 O 0.51601592955606 0.75000000000000 0.44880961206281 15.999 > 20 79 O 0.01601592955606 0.75000000000000 0.94880961206281 15.999 > 20 80 O 0.51601592955606 0.75000000000000 0.94880961206281 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.5165292 0.0000000 0.0000000 0.0000000 32.1620434 0.0000000 0.0000000 0.0000000 33.0406877 -------------------------- Born effective charges -------------------------- 1 Lu 3.6688993 0.0000000 -0.6556639 0.0000000 3.2027018 0.0000000 0.3531067 0.0000000 4.1789333 2 Lu 3.6688993 0.0000000 0.6556639 0.0000000 3.2027018 0.0000000 -0.3531067 0.0000000 4.1789333 3 Lu 3.6688993 0.0000000 0.6556639 0.0000000 3.2027018 0.0000000 -0.3531067 0.0000000 4.1789333 4 Lu 3.6688993 0.0000000 -0.6556639 0.0000000 3.2027018 0.0000000 0.3531067 0.0000000 4.1789333 5 Al 3.1308640 -1.0367430 -0.1914519 -0.0646921 2.8134388 -0.3585222 -1.5085762 -2.2732359 1.8506002 6 Al 3.1308640 1.0367430 -0.1914519 0.0646921 2.8134388 0.3585222 -1.5085762 2.2732359 1.8506002 7 Al 3.1308640 -1.0367430 0.1914519 -0.0646921 2.8134388 0.3585222 1.5085762 2.2732359 1.8506002 8 Al 3.1308640 1.0367430 0.1914519 0.0646921 2.8134388 -0.3585222 1.5085762 -2.2732359 1.8506002 9 O -1.8986794 0.0000000 -0.4153641 0.0000000 -1.5180657 0.0000000 0.7429871 0.0000000 -2.7146588 10 O -2.4505419 -0.4266327 0.1948834 0.6996252 -2.2490375 0.0620157 -0.1942458 -0.2630704 -1.6574374 11 O -2.4505419 0.4266327 0.1948834 -0.6996252 -2.2490375 -0.0620157 -0.1942458 0.2630704 -1.6574374 12 O -2.4505419 0.4266327 -0.1948834 -0.6996252 -2.2490375 0.0620157 0.1942458 -0.2630704 -1.6574374 13 O -2.4505419 -0.4266327 -0.1948834 0.6996252 -2.2490375 -0.0620157 0.1942458 0.2630704 -1.6574374 14 O -1.8986794 0.0000000 0.4153641 0.0000000 -1.5180657 0.0000000 -0.7429871 0.0000000 -2.7146588 15 O -1.8986794 0.0000000 0.4153641 0.0000000 -1.5180657 0.0000000 -0.7429871 0.0000000 -2.7146588 16 O -2.4505419 0.4266327 -0.1948834 -0.6996252 -2.2490375 0.0620157 0.1942458 -0.2630704 -1.6574374 17 O -2.4505419 -0.4266327 -0.1948834 0.6996252 -2.2490375 -0.0620157 0.1942458 0.2630704 -1.6574374 18 O -2.4505419 0.4266327 0.1948834 -0.6996252 -2.2490375 -0.0620157 -0.1942458 0.2630704 -1.6574374 19 O -2.4505419 -0.4266327 0.1948834 0.6996252 -2.2490375 0.0620157 -0.1942458 -0.2630704 -1.6574374 20 O -1.8986794 0.0000000 -0.4153641 0.0000000 -1.5180657 0.0000000 0.7429871 0.0000000 -2.7146588 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.741 Solver_block: 200 / 320 - Time: 0.746 Solver_block: 300 / 320 - Time: 0.746 Solver_block: 320 / 320 - Time: 0.194 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.444 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:45:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:45:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.315493590000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.265482920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.052546370000000 Atomic positions (fractional): 1 Lu 0.43342673121796 0.75000000000000 0.01771733921391 174.967 2 Lu 0.93342673121796 0.75000000000000 0.48228266078609 174.967 3 Lu 0.06657326878204 0.25000000000000 0.51771733921391 174.967 4 Lu 0.56657326878204 0.25000000000000 0.98228266078609 174.967 5 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 6 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 7 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 8 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 9 O 0.96796814088789 0.25000000000000 0.10238077587437 15.999 10 O 0.69867974557517 0.55286925376847 0.19653701791156 15.999 11 O 0.69867974557517 0.94713074623153 0.19653701791156 15.999 12 O 0.19867974557517 0.94713074623153 0.30346298208844 15.999 13 O 0.19867974557517 0.55286925376847 0.30346298208844 15.999 14 O 0.46796814088789 0.25000000000000 0.39761922412563 15.999 15 O 0.53203185911211 0.75000000000000 0.60238077587437 15.999 16 O 0.80132025442483 0.05286925376847 0.69653701791156 15.999 17 O 0.80132025442483 0.44713074623153 0.69653701791156 15.999 18 O 0.30132025442483 0.05286925376847 0.80346298208844 15.999 19 O 0.30132025442483 0.44713074623153 0.80346298208844 15.999 20 O 0.03203185911211 0.75000000000000 0.89761922412563 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.630987180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.265482920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.105092740000000 Atomic positions (fractional): 1 Lu 0.21671336560898 0.75000000000000 0.00885866960696 174.967 > 1 2 Lu 0.71671336560898 0.75000000000000 0.00885866960696 174.967 > 1 3 Lu 0.21671336560898 0.75000000000000 0.50885866960696 174.967 > 1 4 Lu 0.71671336560898 0.75000000000000 0.50885866960696 174.967 > 1 5 Lu 0.46671336560898 0.75000000000000 0.24114133039304 174.967 > 5 6 Lu 0.96671336560898 0.75000000000000 0.24114133039304 174.967 > 5 7 Lu 0.46671336560898 0.75000000000000 0.74114133039304 174.967 > 5 8 Lu 0.96671336560898 0.75000000000000 0.74114133039304 174.967 > 5 9 Lu 0.03328663439102 0.25000000000000 0.25885866960696 174.967 > 9 10 Lu 0.53328663439102 0.25000000000000 0.25885866960696 174.967 > 9 11 Lu 0.03328663439102 0.25000000000000 0.75885866960696 174.967 > 9 12 Lu 0.53328663439102 0.25000000000000 0.75885866960696 174.967 > 9 13 Lu 0.28328663439102 0.25000000000000 0.49114133039304 174.967 > 13 14 Lu 0.78328663439102 0.25000000000000 0.49114133039304 174.967 > 13 15 Lu 0.28328663439102 0.25000000000000 0.99114133039304 174.967 > 13 16 Lu 0.78328663439102 0.25000000000000 0.99114133039304 174.967 > 13 17 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 17 18 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 17 19 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 17 20 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 17 21 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 21 22 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 21 23 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 21 24 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 21 25 Al 0.25000000000000 0.00000000000000 0.25000000000000 26.982 > 25 26 Al 0.75000000000000 0.00000000000000 0.25000000000000 26.982 > 25 27 Al 0.25000000000000 0.00000000000000 0.75000000000000 26.982 > 25 28 Al 0.75000000000000 0.00000000000000 0.75000000000000 26.982 > 25 29 Al 0.25000000000000 0.50000000000000 0.25000000000000 26.982 > 29 30 Al 0.75000000000000 0.50000000000000 0.25000000000000 26.982 > 29 31 Al 0.25000000000000 0.50000000000000 0.75000000000000 26.982 > 29 32 Al 0.75000000000000 0.50000000000000 0.75000000000000 26.982 > 29 33 O 0.48398407044394 0.25000000000000 0.05119038793719 15.999 > 33 34 O 0.98398407044394 0.25000000000000 0.05119038793719 15.999 > 33 35 O 0.48398407044394 0.25000000000000 0.55119038793719 15.999 > 33 36 O 0.98398407044394 0.25000000000000 0.55119038793719 15.999 > 33 37 O 0.34933987278758 0.55286925376847 0.09826850895578 15.999 > 37 38 O 0.84933987278758 0.55286925376847 0.09826850895578 15.999 > 37 39 O 0.34933987278758 0.55286925376847 0.59826850895578 15.999 > 37 40 O 0.84933987278758 0.55286925376847 0.59826850895578 15.999 > 37 41 O 0.34933987278758 0.94713074623153 0.09826850895578 15.999 > 41 42 O 0.84933987278758 0.94713074623153 0.09826850895578 15.999 > 41 43 O 0.34933987278758 0.94713074623153 0.59826850895578 15.999 > 41 44 O 0.84933987278758 0.94713074623153 0.59826850895578 15.999 > 41 45 O 0.09933987278758 0.94713074623153 0.15173149104422 15.999 > 45 46 O 0.59933987278758 0.94713074623153 0.15173149104422 15.999 > 45 47 O 0.09933987278758 0.94713074623153 0.65173149104422 15.999 > 45 48 O 0.59933987278758 0.94713074623153 0.65173149104422 15.999 > 45 49 O 0.09933987278758 0.55286925376847 0.15173149104422 15.999 > 49 50 O 0.59933987278758 0.55286925376847 0.15173149104422 15.999 > 49 51 O 0.09933987278758 0.55286925376847 0.65173149104422 15.999 > 49 52 O 0.59933987278758 0.55286925376847 0.65173149104422 15.999 > 49 53 O 0.23398407044394 0.25000000000000 0.19880961206281 15.999 > 53 54 O 0.73398407044394 0.25000000000000 0.19880961206281 15.999 > 53 55 O 0.23398407044394 0.25000000000000 0.69880961206281 15.999 > 53 56 O 0.73398407044394 0.25000000000000 0.69880961206281 15.999 > 53 57 O 0.26601592955606 0.75000000000000 0.30119038793719 15.999 > 57 58 O 0.76601592955606 0.75000000000000 0.30119038793719 15.999 > 57 59 O 0.26601592955606 0.75000000000000 0.80119038793719 15.999 > 57 60 O 0.76601592955606 0.75000000000000 0.80119038793719 15.999 > 57 61 O 0.40066012721242 0.05286925376847 0.34826850895578 15.999 > 61 62 O 0.90066012721242 0.05286925376847 0.34826850895578 15.999 > 61 63 O 0.40066012721242 0.05286925376847 0.84826850895578 15.999 > 61 64 O 0.90066012721242 0.05286925376847 0.84826850895578 15.999 > 61 65 O 0.40066012721242 0.44713074623153 0.34826850895578 15.999 > 65 66 O 0.90066012721242 0.44713074623153 0.34826850895578 15.999 > 65 67 O 0.40066012721242 0.44713074623153 0.84826850895578 15.999 > 65 68 O 0.90066012721242 0.44713074623153 0.84826850895578 15.999 > 65 69 O 0.15066012721242 0.05286925376847 0.40173149104422 15.999 > 69 70 O 0.65066012721242 0.05286925376847 0.40173149104422 15.999 > 69 71 O 0.15066012721242 0.05286925376847 0.90173149104422 15.999 > 69 72 O 0.65066012721242 0.05286925376847 0.90173149104422 15.999 > 69 73 O 0.15066012721242 0.44713074623153 0.40173149104422 15.999 > 73 74 O 0.65066012721242 0.44713074623153 0.40173149104422 15.999 > 73 75 O 0.15066012721242 0.44713074623153 0.90173149104422 15.999 > 73 76 O 0.65066012721242 0.44713074623153 0.90173149104422 15.999 > 73 77 O 0.01601592955606 0.75000000000000 0.44880961206281 15.999 > 77 78 O 0.51601592955606 0.75000000000000 0.44880961206281 15.999 > 77 79 O 0.01601592955606 0.75000000000000 0.94880961206281 15.999 > 77 80 O 0.51601592955606 0.75000000000000 0.94880961206281 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.5165292 0.0000000 0.0000000 0.0000000 32.1620434 0.0000000 0.0000000 0.0000000 33.0406877 -------------------------- Born effective charges -------------------------- 1 Lu 3.6688993 0.0000000 -0.6556639 0.0000000 3.2027018 0.0000000 0.3531067 0.0000000 4.1789333 2 Lu 3.6688993 0.0000000 0.6556639 0.0000000 3.2027018 0.0000000 -0.3531067 0.0000000 4.1789333 3 Lu 3.6688993 0.0000000 0.6556639 0.0000000 3.2027018 0.0000000 -0.3531067 0.0000000 4.1789333 4 Lu 3.6688993 0.0000000 -0.6556639 0.0000000 3.2027018 0.0000000 0.3531067 0.0000000 4.1789333 5 Al 3.1308640 -1.0367430 -0.1914519 -0.0646921 2.8134388 -0.3585222 -1.5085762 -2.2732359 1.8506002 6 Al 3.1308640 1.0367430 -0.1914519 0.0646921 2.8134388 0.3585222 -1.5085762 2.2732359 1.8506002 7 Al 3.1308640 -1.0367430 0.1914519 -0.0646921 2.8134388 0.3585222 1.5085762 2.2732359 1.8506002 8 Al 3.1308640 1.0367430 0.1914519 0.0646921 2.8134388 -0.3585222 1.5085762 -2.2732359 1.8506002 9 O -1.8986794 0.0000000 -0.4153641 0.0000000 -1.5180657 0.0000000 0.7429871 0.0000000 -2.7146588 10 O -2.4505419 -0.4266327 0.1948834 0.6996252 -2.2490375 0.0620157 -0.1942458 -0.2630704 -1.6574374 11 O -2.4505419 0.4266327 0.1948834 -0.6996252 -2.2490375 -0.0620157 -0.1942458 0.2630704 -1.6574374 12 O -2.4505419 0.4266327 -0.1948834 -0.6996252 -2.2490375 0.0620157 0.1942458 -0.2630704 -1.6574374 13 O -2.4505419 -0.4266327 -0.1948834 0.6996252 -2.2490375 -0.0620157 0.1942458 0.2630704 -1.6574374 14 O -1.8986794 0.0000000 0.4153641 0.0000000 -1.5180657 0.0000000 -0.7429871 0.0000000 -2.7146588 15 O -1.8986794 0.0000000 0.4153641 0.0000000 -1.5180657 0.0000000 -0.7429871 0.0000000 -2.7146588 16 O -2.4505419 0.4266327 -0.1948834 -0.6996252 -2.2490375 0.0620157 0.1942458 -0.2630704 -1.6574374 17 O -2.4505419 -0.4266327 -0.1948834 0.6996252 -2.2490375 -0.0620157 0.1942458 0.2630704 -1.6574374 18 O -2.4505419 0.4266327 0.1948834 -0.6996252 -2.2490375 -0.0620157 -0.1942458 0.2630704 -1.6574374 19 O -2.4505419 -0.4266327 0.1948834 0.6996252 -2.2490375 0.0620157 -0.1942458 -0.2630704 -1.6574374 20 O -1.8986794 0.0000000 -0.4153641 0.0000000 -1.5180657 0.0000000 0.7429871 0.0000000 -2.7146588 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000009 (xxx) 0.00000009 (xxx) 0.00000009 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000005 (xz) -0.00000005 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:45:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:45:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.315493590000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.265482920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.052546370000000 Atomic positions (fractional): 1 Lu 0.43342673121796 0.75000000000000 0.01771733921391 174.967 2 Lu 0.93342673121796 0.75000000000000 0.48228266078609 174.967 3 Lu 0.06657326878204 0.25000000000000 0.51771733921391 174.967 4 Lu 0.56657326878204 0.25000000000000 0.98228266078609 174.967 5 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 6 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 7 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 8 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 9 O 0.96796814088789 0.25000000000000 0.10238077587437 15.999 10 O 0.69867974557517 0.55286925376847 0.19653701791156 15.999 11 O 0.69867974557517 0.94713074623153 0.19653701791156 15.999 12 O 0.19867974557517 0.94713074623153 0.30346298208844 15.999 13 O 0.19867974557517 0.55286925376847 0.30346298208844 15.999 14 O 0.46796814088789 0.25000000000000 0.39761922412563 15.999 15 O 0.53203185911211 0.75000000000000 0.60238077587437 15.999 16 O 0.80132025442483 0.05286925376847 0.69653701791156 15.999 17 O 0.80132025442483 0.44713074623153 0.69653701791156 15.999 18 O 0.30132025442483 0.05286925376847 0.80346298208844 15.999 19 O 0.30132025442483 0.44713074623153 0.80346298208844 15.999 20 O 0.03203185911211 0.75000000000000 0.89761922412563 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.630987180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.265482920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.105092740000000 Atomic positions (fractional): 1 Lu 0.21671336560898 0.75000000000000 0.00885866960696 174.967 > 1 2 Lu 0.71671336560898 0.75000000000000 0.00885866960696 174.967 > 1 3 Lu 0.21671336560898 0.75000000000000 0.50885866960696 174.967 > 1 4 Lu 0.71671336560898 0.75000000000000 0.50885866960696 174.967 > 1 5 Lu 0.46671336560898 0.75000000000000 0.24114133039304 174.967 > 5 6 Lu 0.96671336560898 0.75000000000000 0.24114133039304 174.967 > 5 7 Lu 0.46671336560898 0.75000000000000 0.74114133039304 174.967 > 5 8 Lu 0.96671336560898 0.75000000000000 0.74114133039304 174.967 > 5 9 Lu 0.03328663439102 0.25000000000000 0.25885866960696 174.967 > 9 10 Lu 0.53328663439102 0.25000000000000 0.25885866960696 174.967 > 9 11 Lu 0.03328663439102 0.25000000000000 0.75885866960696 174.967 > 9 12 Lu 0.53328663439102 0.25000000000000 0.75885866960696 174.967 > 9 13 Lu 0.28328663439102 0.25000000000000 0.49114133039304 174.967 > 13 14 Lu 0.78328663439102 0.25000000000000 0.49114133039304 174.967 > 13 15 Lu 0.28328663439102 0.25000000000000 0.99114133039304 174.967 > 13 16 Lu 0.78328663439102 0.25000000000000 0.99114133039304 174.967 > 13 17 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 17 18 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 17 19 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 17 20 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 17 21 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 21 22 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 21 23 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 21 24 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 21 25 Al 0.25000000000000 0.00000000000000 0.25000000000000 26.982 > 25 26 Al 0.75000000000000 0.00000000000000 0.25000000000000 26.982 > 25 27 Al 0.25000000000000 0.00000000000000 0.75000000000000 26.982 > 25 28 Al 0.75000000000000 0.00000000000000 0.75000000000000 26.982 > 25 29 Al 0.25000000000000 0.50000000000000 0.25000000000000 26.982 > 29 30 Al 0.75000000000000 0.50000000000000 0.25000000000000 26.982 > 29 31 Al 0.25000000000000 0.50000000000000 0.75000000000000 26.982 > 29 32 Al 0.75000000000000 0.50000000000000 0.75000000000000 26.982 > 29 33 O 0.48398407044394 0.25000000000000 0.05119038793719 15.999 > 33 34 O 0.98398407044394 0.25000000000000 0.05119038793719 15.999 > 33 35 O 0.48398407044394 0.25000000000000 0.55119038793719 15.999 > 33 36 O 0.98398407044394 0.25000000000000 0.55119038793719 15.999 > 33 37 O 0.34933987278758 0.55286925376847 0.09826850895578 15.999 > 37 38 O 0.84933987278758 0.55286925376847 0.09826850895578 15.999 > 37 39 O 0.34933987278758 0.55286925376847 0.59826850895578 15.999 > 37 40 O 0.84933987278758 0.55286925376847 0.59826850895578 15.999 > 37 41 O 0.34933987278758 0.94713074623153 0.09826850895578 15.999 > 41 42 O 0.84933987278758 0.94713074623153 0.09826850895578 15.999 > 41 43 O 0.34933987278758 0.94713074623153 0.59826850895578 15.999 > 41 44 O 0.84933987278758 0.94713074623153 0.59826850895578 15.999 > 41 45 O 0.09933987278758 0.94713074623153 0.15173149104422 15.999 > 45 46 O 0.59933987278758 0.94713074623153 0.15173149104422 15.999 > 45 47 O 0.09933987278758 0.94713074623153 0.65173149104422 15.999 > 45 48 O 0.59933987278758 0.94713074623153 0.65173149104422 15.999 > 45 49 O 0.09933987278758 0.55286925376847 0.15173149104422 15.999 > 49 50 O 0.59933987278758 0.55286925376847 0.15173149104422 15.999 > 49 51 O 0.09933987278758 0.55286925376847 0.65173149104422 15.999 > 49 52 O 0.59933987278758 0.55286925376847 0.65173149104422 15.999 > 49 53 O 0.23398407044394 0.25000000000000 0.19880961206281 15.999 > 53 54 O 0.73398407044394 0.25000000000000 0.19880961206281 15.999 > 53 55 O 0.23398407044394 0.25000000000000 0.69880961206281 15.999 > 53 56 O 0.73398407044394 0.25000000000000 0.69880961206281 15.999 > 53 57 O 0.26601592955606 0.75000000000000 0.30119038793719 15.999 > 57 58 O 0.76601592955606 0.75000000000000 0.30119038793719 15.999 > 57 59 O 0.26601592955606 0.75000000000000 0.80119038793719 15.999 > 57 60 O 0.76601592955606 0.75000000000000 0.80119038793719 15.999 > 57 61 O 0.40066012721242 0.05286925376847 0.34826850895578 15.999 > 61 62 O 0.90066012721242 0.05286925376847 0.34826850895578 15.999 > 61 63 O 0.40066012721242 0.05286925376847 0.84826850895578 15.999 > 61 64 O 0.90066012721242 0.05286925376847 0.84826850895578 15.999 > 61 65 O 0.40066012721242 0.44713074623153 0.34826850895578 15.999 > 65 66 O 0.90066012721242 0.44713074623153 0.34826850895578 15.999 > 65 67 O 0.40066012721242 0.44713074623153 0.84826850895578 15.999 > 65 68 O 0.90066012721242 0.44713074623153 0.84826850895578 15.999 > 65 69 O 0.15066012721242 0.05286925376847 0.40173149104422 15.999 > 69 70 O 0.65066012721242 0.05286925376847 0.40173149104422 15.999 > 69 71 O 0.15066012721242 0.05286925376847 0.90173149104422 15.999 > 69 72 O 0.65066012721242 0.05286925376847 0.90173149104422 15.999 > 69 73 O 0.15066012721242 0.44713074623153 0.40173149104422 15.999 > 73 74 O 0.65066012721242 0.44713074623153 0.40173149104422 15.999 > 73 75 O 0.15066012721242 0.44713074623153 0.90173149104422 15.999 > 73 76 O 0.65066012721242 0.44713074623153 0.90173149104422 15.999 > 73 77 O 0.01601592955606 0.75000000000000 0.44880961206281 15.999 > 77 78 O 0.51601592955606 0.75000000000000 0.44880961206281 15.999 > 77 79 O 0.01601592955606 0.75000000000000 0.94880961206281 15.999 > 77 80 O 0.51601592955606 0.75000000000000 0.94880961206281 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 12.5165292 0.0000000 0.0000000 0.0000000 32.1620434 0.0000000 0.0000000 0.0000000 33.0406877 -------------------------- Born effective charges -------------------------- 1 Lu 3.6688993 0.0000000 -0.6556639 0.0000000 3.2027018 0.0000000 0.3531067 0.0000000 4.1789333 2 Lu 3.6688993 0.0000000 0.6556639 0.0000000 3.2027018 0.0000000 -0.3531067 0.0000000 4.1789333 3 Lu 3.6688993 0.0000000 0.6556639 0.0000000 3.2027018 0.0000000 -0.3531067 0.0000000 4.1789333 4 Lu 3.6688993 0.0000000 -0.6556639 0.0000000 3.2027018 0.0000000 0.3531067 0.0000000 4.1789333 5 Al 3.1308640 -1.0367430 -0.1914519 -0.0646921 2.8134388 -0.3585222 -1.5085762 -2.2732359 1.8506002 6 Al 3.1308640 1.0367430 -0.1914519 0.0646921 2.8134388 0.3585222 -1.5085762 2.2732359 1.8506002 7 Al 3.1308640 -1.0367430 0.1914519 -0.0646921 2.8134388 0.3585222 1.5085762 2.2732359 1.8506002 8 Al 3.1308640 1.0367430 0.1914519 0.0646921 2.8134388 -0.3585222 1.5085762 -2.2732359 1.8506002 9 O -1.8986794 0.0000000 -0.4153641 0.0000000 -1.5180657 0.0000000 0.7429871 0.0000000 -2.7146588 10 O -2.4505419 -0.4266327 0.1948834 0.6996252 -2.2490375 0.0620157 -0.1942458 -0.2630704 -1.6574374 11 O -2.4505419 0.4266327 0.1948834 -0.6996252 -2.2490375 -0.0620157 -0.1942458 0.2630704 -1.6574374 12 O -2.4505419 0.4266327 -0.1948834 -0.6996252 -2.2490375 0.0620157 0.1942458 -0.2630704 -1.6574374 13 O -2.4505419 -0.4266327 -0.1948834 0.6996252 -2.2490375 -0.0620157 0.1942458 0.2630704 -1.6574374 14 O -1.8986794 0.0000000 0.4153641 0.0000000 -1.5180657 0.0000000 -0.7429871 0.0000000 -2.7146588 15 O -1.8986794 0.0000000 0.4153641 0.0000000 -1.5180657 0.0000000 -0.7429871 0.0000000 -2.7146588 16 O -2.4505419 0.4266327 -0.1948834 -0.6996252 -2.2490375 0.0620157 0.1942458 -0.2630704 -1.6574374 17 O -2.4505419 -0.4266327 -0.1948834 0.6996252 -2.2490375 -0.0620157 0.1942458 0.2630704 -1.6574374 18 O -2.4505419 0.4266327 0.1948834 -0.6996252 -2.2490375 -0.0620157 -0.1942458 0.2630704 -1.6574374 19 O -2.4505419 -0.4266327 0.1948834 0.6996252 -2.2490375 0.0620157 -0.1942458 -0.2630704 -1.6574374 20 O -1.8986794 0.0000000 -0.4153641 0.0000000 -1.5180657 0.0000000 0.7429871 0.0000000 -2.7146588 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000009 (xxx) 0.00000009 (xxx) 0.00000009 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 7 10 ] 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: 0.72, Number of G-points: 303, Lambda: 0.38 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.845 ( 0.000 0.000 0.000) 0.000 3.488 ( 0.000 0.000 0.000) 0.000 3.551 ( 0.000 0.000 0.000) 0.000 3.674 ( 0.000 0.000 0.000) 0.000 3.984 ( 0.000 0.000 0.000) 0.000 4.037 ( 0.000 0.000 0.000) 0.000 4.295 ( 0.000 0.000 0.000) 0.000 4.750 ( 0.000 0.000 0.000) 0.000 4.926 ( 0.000 0.000 0.000) 0.000 5.901 ( 0.000 0.000 0.000) 0.000 6.392 ( 0.000 0.000 0.000) 0.000 6.823 ( 0.000 0.000 0.000) 0.000 7.317 ( 0.000 0.000 0.000) 0.000 7.920 ( 0.000 0.000 0.000) 0.000 8.690 ( 0.000 0.000 0.000) 0.000 8.839 ( 0.000 0.000 0.000) 0.000 10.170 ( 0.000 0.000 0.000) 0.000 10.277 ( 0.000 0.000 0.000) 0.000 10.373 ( 0.000 0.000 0.000) 0.000 10.625 ( 0.000 0.000 0.000) 0.000 10.999 ( 0.000 0.000 0.000) 0.000 11.357 ( 0.000 0.000 0.000) 0.000 11.369 ( 0.000 0.000 0.000) 0.000 11.423 ( 0.000 0.000 0.000) 0.000 11.676 ( 0.000 0.000 0.000) 0.000 11.933 ( 0.000 0.000 0.000) 0.000 12.339 ( 0.000 0.000 0.000) 0.000 12.773 ( 0.000 0.000 0.000) 0.000 13.081 ( 0.000 0.000 0.000) 0.000 13.408 ( 0.000 0.000 0.000) 0.000 13.470 ( 0.000 0.000 0.000) 0.000 13.496 ( 0.000 0.000 0.000) 0.000 13.573 ( 0.000 0.000 0.000) 0.000 13.575 ( 0.000 0.000 0.000) 0.000 14.095 ( 0.000 0.000 0.000) 0.000 14.169 ( 0.000 0.000 0.000) 0.000 14.265 ( 0.000 0.000 0.000) 0.000 14.602 ( 0.000 0.000 0.000) 0.000 14.617 ( 0.000 0.000 0.000) 0.000 14.984 ( 0.000 0.000 0.000) 0.000 15.478 ( 0.000 0.000 0.000) 0.000 16.064 ( 0.000 0.000 0.000) 0.000 16.596 ( 0.000 0.000 0.000) 0.000 16.628 ( 0.000 0.000 0.000) 0.000 16.785 ( 0.000 0.000 0.000) 0.000 17.545 ( 0.000 0.000 0.000) 0.000 17.682 ( 0.000 0.000 0.000) 0.000 18.149 ( 0.000 0.000 0.000) 0.000 18.378 ( 0.000 0.000 0.000) 0.000 18.841 ( 0.000 0.000 0.000) 0.000 19.050 ( 0.000 0.000 0.000) 0.000 19.469 ( 0.000 0.000 0.000) 0.000 19.723 ( 0.000 0.000 0.000) 0.000 20.040 ( 0.000 0.000 0.000) 0.000 20.068 ( 0.000 0.000 0.000) 0.000 20.640 ( 0.000 0.000 0.000) 0.000 21.461 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 34.827 0.000 0.000) 34.827 0.911 ( 42.383 0.000 0.000) 42.383 1.214 ( 55.625 0.000 0.000) 55.625 2.874 ( 2.739 0.000 0.000) 2.739 3.505 ( 1.661 0.000 0.000) 1.661 3.540 ( -2.254 0.000 0.000) 2.254 3.766 ( 5.228 0.000 0.000) 5.228 3.929 ( -4.967 0.000 0.000) 4.967 4.048 ( 0.548 0.000 0.000) 0.548 4.288 ( -0.573 0.000 0.000) 0.573 4.617 ( -11.906 0.000 0.000) 11.906 4.808 ( -10.427 0.000 0.000) 10.427 5.966 ( 6.059 0.000 0.000) 6.059 6.513 ( 11.425 0.000 0.000) 11.425 6.875 ( 4.614 0.000 0.000) 4.614 8.052 ( 3.305 0.000 0.000) 3.305 8.100 ( 15.865 0.000 0.000) 15.865 8.767 ( 7.608 0.000 0.000) 7.608 8.814 ( -2.015 0.000 0.000) 2.015 10.081 ( -7.470 0.000 0.000) 7.470 10.116 ( -14.682 0.000 0.000) 14.682 10.545 ( -0.400 0.000 0.000) 0.400 10.639 ( 1.923 0.000 0.000) 1.923 10.997 ( -1.683 0.000 0.000) 1.683 11.282 ( -7.343 0.000 0.000) 7.343 11.358 ( -5.070 0.000 0.000) 5.070 11.408 ( 2.686 0.000 0.000) 2.686 11.607 ( -6.439 0.000 0.000) 6.439 11.886 ( -4.286 0.000 0.000) 4.286 12.381 ( 2.022 0.000 0.000) 2.022 12.870 ( 8.441 0.000 0.000) 8.441 13.070 ( 0.257 0.000 0.000) 0.257 13.517 ( 3.624 0.000 0.000) 3.624 13.561 ( 6.466 0.000 0.000) 6.466 13.570 ( -0.598 0.000 0.000) 0.598 13.629 ( 12.550 0.000 0.000) 12.550 14.236 ( -3.882 0.000 0.000) 3.882 14.236 ( 3.517 0.000 0.000) 3.517 14.288 ( 18.354 0.000 0.000) 18.354 14.624 ( 2.080 0.000 0.000) 2.080 14.636 ( 6.147 0.000 0.000) 6.147 14.987 ( 0.187 0.000 0.000) 0.187 15.348 ( -9.300 0.000 0.000) 9.300 15.718 ( 11.568 0.000 0.000) 11.568 16.045 ( -1.911 0.000 0.000) 1.911 16.628 ( -21.520 0.000 0.000) 21.520 16.768 ( 0.542 0.000 0.000) 0.542 16.974 ( 1.455 0.000 0.000) 1.455 17.097 ( 11.599 0.000 0.000) 11.599 17.975 ( -15.484 0.000 0.000) 15.484 18.337 ( -4.565 0.000 0.000) 4.565 18.395 ( 30.620 0.000 0.000) 30.620 19.016 ( -2.547 0.000 0.000) 2.547 19.257 ( 8.787 0.000 0.000) 8.787 19.454 ( -1.471 0.000 0.000) 1.471 19.524 ( -15.763 0.000 0.000) 15.763 20.185 ( 12.750 0.000 0.000) 12.750 20.187 ( -8.309 0.000 0.000) 8.309 20.932 ( 24.014 0.000 0.000) 24.014 21.495 ( 2.892 0.000 0.000) 2.892 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 31.726 0.000 0.000) 31.726 1.746 ( 36.798 0.000 0.000) 36.798 2.269 ( 43.942 0.000 0.000) 43.942 2.950 ( 4.234 0.000 0.000) 4.234 3.443 ( -6.857 0.000 0.000) 6.857 3.557 ( 3.124 0.000 0.000) 3.124 3.793 ( -7.580 0.000 0.000) 7.580 3.881 ( 4.389 0.000 0.000) 4.389 4.024 ( -3.655 0.000 0.000) 3.655 4.274 ( -0.894 0.000 0.000) 0.894 4.298 ( -17.410 0.000 0.000) 17.410 4.554 ( -11.902 0.000 0.000) 11.902 6.143 ( 10.691 0.000 0.000) 10.691 6.853 ( 20.471 0.000 0.000) 20.471 6.993 ( 5.879 0.000 0.000) 5.879 8.196 ( 11.562 0.000 0.000) 11.562 8.464 ( 14.995 0.000 0.000) 14.995 8.766 ( -2.712 0.000 0.000) 2.712 9.052 ( 21.560 0.000 0.000) 21.560 9.717 ( -22.035 0.000 0.000) 22.035 9.919 ( -6.729 0.000 0.000) 6.729 10.507 ( -3.348 0.000 0.000) 3.348 10.716 ( 5.467 0.000 0.000) 5.467 10.855 ( -10.309 0.000 0.000) 10.309 11.042 ( -15.767 0.000 0.000) 15.767 11.355 ( 4.376 0.000 0.000) 4.376 11.420 ( -11.025 0.000 0.000) 11.025 11.432 ( -1.425 0.000 0.000) 1.425 11.762 ( -7.526 0.000 0.000) 7.526 12.320 ( -8.619 0.000 0.000) 8.619 13.074 ( 9.899 0.000 0.000) 9.899 13.179 ( 10.945 0.000 0.000) 10.945 13.550 ( -1.245 0.000 0.000) 1.245 13.625 ( 6.496 0.000 0.000) 6.496 13.777 ( 14.275 0.000 0.000) 14.275 13.944 ( 16.967 0.000 0.000) 16.967 14.082 ( -10.029 0.000 0.000) 10.029 14.192 ( -7.023 0.000 0.000) 7.023 14.742 ( 8.593 0.000 0.000) 8.593 14.779 ( 25.101 0.000 0.000) 25.101 14.980 ( 25.793 0.000 0.000) 25.793 14.994 ( 0.828 0.000 0.000) 0.828 15.192 ( -4.931 0.000 0.000) 4.931 15.825 ( -3.415 0.000 0.000) 3.415 15.984 ( -3.673 0.000 0.000) 3.673 16.026 ( -26.921 0.000 0.000) 26.921 16.863 ( 8.390 0.000 0.000) 8.390 17.321 ( 21.422 0.000 0.000) 21.422 17.507 ( 26.980 0.000 0.000) 26.980 17.559 ( -23.176 0.000 0.000) 23.176 18.146 ( -14.412 0.000 0.000) 14.412 18.844 ( 12.252 0.000 0.000) 12.252 18.986 ( 0.438 0.000 0.000) 0.438 19.146 ( -19.600 0.000 0.000) 19.600 19.409 ( -2.840 0.000 0.000) 2.840 19.480 ( 6.467 0.000 0.000) 6.467 20.037 ( 1.459 0.000 0.000) 1.459 20.517 ( 17.843 0.000 0.000) 17.843 21.487 ( 25.688 0.000 0.000) 25.688 21.558 ( 2.428 0.000 0.000) 2.428 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 27.086 0.000 0.000) 27.086 2.423 ( 27.433 0.000 0.000) 27.433 3.006 ( 25.506 0.000 0.000) 25.506 3.036 ( 3.481 0.000 0.000) 3.481 3.260 ( -9.916 0.000 0.000) 9.916 3.616 ( 1.401 0.000 0.000) 1.401 3.637 ( -6.679 0.000 0.000) 6.679 3.913 ( -4.583 0.000 0.000) 4.583 3.936 ( -16.316 0.000 0.000) 16.316 3.937 ( 1.594 0.000 0.000) 1.594 4.235 ( -3.089 0.000 0.000) 3.089 4.356 ( -7.457 0.000 0.000) 7.457 6.408 ( 14.433 0.000 0.000) 14.433 7.078 ( 1.103 0.000 0.000) 1.103 7.341 ( 25.527 0.000 0.000) 25.527 8.561 ( 22.925 0.000 0.000) 22.925 8.663 ( -8.440 0.000 0.000) 8.440 8.663 ( 5.391 0.000 0.000) 5.391 9.256 ( -20.568 0.000 0.000) 20.568 9.657 ( 33.666 0.000 0.000) 33.666 9.816 ( -4.009 0.000 0.000) 4.009 10.409 ( -5.394 0.000 0.000) 5.394 10.645 ( -20.646 0.000 0.000) 20.646 10.685 ( -4.258 0.000 0.000) 4.258 10.863 ( 8.275 0.000 0.000) 8.275 11.166 ( -12.865 0.000 0.000) 12.865 11.316 ( -10.120 0.000 0.000) 10.120 11.475 ( 6.490 0.000 0.000) 6.490 11.576 ( -10.070 0.000 0.000) 10.070 12.079 ( -12.689 0.000 0.000) 12.689 13.257 ( 7.626 0.000 0.000) 7.626 13.476 ( 15.728 0.000 0.000) 15.728 13.523 ( -1.179 0.000 0.000) 1.179 13.769 ( 6.631 0.000 0.000) 6.631 13.867 ( -9.394 0.000 0.000) 9.394 13.981 ( -8.127 0.000 0.000) 8.127 14.167 ( 18.108 0.000 0.000) 18.108 14.314 ( 17.914 0.000 0.000) 17.914 14.917 ( 5.793 0.000 0.000) 5.793 15.028 ( 1.921 0.000 0.000) 1.921 15.127 ( -2.040 0.000 0.000) 2.040 15.188 ( 11.043 0.000 0.000) 11.043 15.555 ( -17.603 0.000 0.000) 17.603 15.631 ( 34.772 0.000 0.000) 34.772 15.643 ( -11.103 0.000 0.000) 11.103 15.930 ( 0.450 0.000 0.000) 0.450 17.045 ( -25.187 0.000 0.000) 25.187 17.130 ( 17.952 0.000 0.000) 17.952 17.733 ( -24.661 0.000 0.000) 24.661 17.782 ( 21.987 0.000 0.000) 21.987 18.084 ( 25.167 0.000 0.000) 25.167 18.700 ( -21.628 0.000 0.000) 21.628 18.960 ( -1.270 0.000 0.000) 1.270 19.036 ( 3.925 0.000 0.000) 3.925 19.290 ( -18.994 0.000 0.000) 18.994 19.336 ( -4.075 0.000 0.000) 4.075 20.506 ( 36.562 0.000 0.000) 36.562 20.895 ( 17.684 0.000 0.000) 17.684 21.569 ( -1.837 0.000 0.000) 1.837 21.879 ( 9.532 0.000 0.000) 9.532 ======================= Grid point 4 (5/120) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 21.601 0.000 0.000) 21.601 2.874 ( 15.415 0.000 0.000) 15.415 2.961 ( -15.871 0.000 0.000) 15.871 3.060 ( -2.633 0.000 0.000) 2.633 3.411 ( 11.287 0.000 0.000) 11.287 3.549 ( -0.469 0.000 0.000) 0.469 3.570 ( -5.133 0.000 0.000) 5.133 3.652 ( -10.006 0.000 0.000) 10.006 3.918 ( 3.936 0.000 0.000) 3.936 3.969 ( 0.745 0.000 0.000) 0.745 4.163 ( -2.121 0.000 0.000) 2.121 4.216 ( -5.898 0.000 0.000) 5.898 6.729 ( 15.435 0.000 0.000) 15.435 6.999 ( -9.008 0.000 0.000) 9.008 7.886 ( 25.643 0.000 0.000) 25.643 8.369 ( -19.441 0.000 0.000) 19.441 8.753 ( 4.564 0.000 0.000) 4.564 8.911 ( -11.713 0.000 0.000) 11.713 9.114 ( 28.020 0.000 0.000) 28.020 9.628 ( -17.727 0.000 0.000) 17.727 10.312 ( -3.565 0.000 0.000) 3.565 10.316 ( -7.055 0.000 0.000) 7.055 10.359 ( 31.676 0.000 0.000) 31.676 10.701 ( 5.802 0.000 0.000) 5.802 10.899 ( -12.042 0.000 0.000) 12.042 10.908 ( -16.802 0.000 0.000) 16.802 11.136 ( 5.425 0.000 0.000) 5.425 11.349 ( -11.359 0.000 0.000) 11.359 11.627 ( 8.278 0.000 0.000) 8.278 11.828 ( -10.957 0.000 0.000) 10.957 13.398 ( 5.873 0.000 0.000) 5.873 13.492 ( -2.619 0.000 0.000) 2.619 13.737 ( -1.872 0.000 0.000) 1.872 13.765 ( 10.264 0.000 0.000) 10.264 13.801 ( -7.032 0.000 0.000) 7.032 13.861 ( 0.921 0.000 0.000) 0.921 14.577 ( 18.728 0.000 0.000) 18.728 14.677 ( 16.594 0.000 0.000) 16.594 14.887 ( -9.322 0.000 0.000) 9.322 14.993 ( -12.099 0.000 0.000) 12.099 15.075 ( 2.828 0.000 0.000) 2.828 15.198 ( -7.061 0.000 0.000) 7.061 15.379 ( 1.370 0.000 0.000) 1.370 15.469 ( -5.460 0.000 0.000) 5.460 16.083 ( 14.440 0.000 0.000) 14.440 16.330 ( 19.998 0.000 0.000) 19.998 16.583 ( -7.180 0.000 0.000) 7.180 17.137 ( -31.761 0.000 0.000) 31.761 17.597 ( 25.180 0.000 0.000) 25.180 18.071 ( -11.054 0.000 0.000) 11.054 18.382 ( 7.596 0.000 0.000) 7.596 18.503 ( 13.296 0.000 0.000) 13.296 18.846 ( -8.682 0.000 0.000) 8.682 18.860 ( -18.916 0.000 0.000) 18.916 19.134 ( 5.127 0.000 0.000) 5.127 19.241 ( -4.956 0.000 0.000) 4.956 21.232 ( 14.047 0.000 0.000) 14.047 21.296 ( 34.668 0.000 0.000) 34.668 21.466 ( -8.128 0.000 0.000) 8.128 21.830 ( -14.636 0.000 0.000) 14.636 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 0.000 38.473 0.000) 38.473 0.857 ( 0.000 42.617 0.000) 42.617 1.295 ( 0.000 62.620 0.000) 62.620 2.861 ( 0.000 0.989 0.000) 0.989 3.452 ( 0.000 -3.152 0.000) 3.152 3.484 ( 0.000 -6.943 0.000) 6.943 3.657 ( 0.000 -1.823 0.000) 1.823 3.943 ( 0.000 -4.094 0.000) 4.094 4.085 ( 0.000 4.772 0.000) 4.772 4.247 ( 0.000 -4.422 0.000) 4.422 4.700 ( 0.000 -4.963 0.000) 4.963 4.881 ( 0.000 -4.468 0.000) 4.468 6.420 ( 0.000 2.808 0.000) 2.808 6.431 ( 0.000 16.534 0.000) 16.534 6.815 ( 0.000 -0.994 0.000) 0.994 7.322 ( 0.000 0.534 0.000) 0.534 7.853 ( 0.000 -8.139 0.000) 8.139 8.651 ( 0.000 -4.381 0.000) 4.381 8.839 ( 0.000 0.193 0.000) 0.193 10.063 ( 0.000 -6.890 0.000) 6.890 10.149 ( 0.000 -21.713 0.000) 21.713 10.405 ( 0.000 11.551 0.000) 11.551 10.818 ( 0.000 16.372 0.000) 16.372 10.938 ( 0.000 -4.854 0.000) 4.854 11.065 ( 0.000 -21.070 0.000) 21.070 11.241 ( 0.000 -11.140 0.000) 11.140 11.305 ( 0.000 -5.054 0.000) 5.054 11.911 ( 0.000 14.070 0.000) 14.070 12.170 ( 0.000 16.595 0.000) 16.595 12.358 ( 0.000 2.141 0.000) 2.141 12.822 ( 0.000 0.399 0.000) 0.399 13.045 ( 0.000 -3.693 0.000) 3.693 13.397 ( 0.000 -1.141 0.000) 1.141 13.450 ( 0.000 -0.934 0.000) 0.934 13.593 ( 0.000 2.038 0.000) 2.038 13.639 ( 0.000 6.157 0.000) 6.157 13.994 ( 0.000 -7.019 0.000) 7.019 14.155 ( 0.000 16.019 0.000) 16.019 14.226 ( 0.000 5.269 0.000) 5.269 14.271 ( 0.000 -0.473 0.000) 0.473 14.587 ( 0.000 -2.821 0.000) 2.821 14.952 ( 0.000 -3.482 0.000) 3.482 15.191 ( 0.000 10.643 0.000) 10.643 15.495 ( 0.000 3.641 0.000) 3.641 16.161 ( 0.000 9.028 0.000) 9.028 16.550 ( 0.000 -4.525 0.000) 4.525 16.640 ( 0.000 1.129 0.000) 1.129 16.884 ( 0.000 10.142 0.000) 10.142 17.501 ( 0.000 -4.043 0.000) 4.043 17.592 ( 0.000 -9.236 0.000) 9.236 18.197 ( 0.000 4.380 0.000) 4.380 18.302 ( 0.000 -10.241 0.000) 10.241 18.796 ( 0.000 -4.579 0.000) 4.579 18.916 ( 0.000 -8.031 0.000) 8.031 19.537 ( 0.000 3.472 0.000) 3.472 19.662 ( 0.000 -6.010 0.000) 6.010 19.698 ( 0.000 -22.679 0.000) 22.679 20.212 ( 0.000 2.945 0.000) 2.945 20.805 ( 0.000 14.126 0.000) 14.126 21.475 ( 0.000 1.162 0.000) 1.162 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 24.497 24.089 0.000) 34.357 1.053 ( 22.619 26.274 0.000) 34.669 1.861 ( 37.982 43.973 0.000) 58.105 2.879 ( 1.720 -0.037 0.000) 1.720 3.469 ( 1.623 -3.237 0.000) 3.621 3.479 ( -0.779 -5.149 0.000) 5.208 3.711 ( 3.956 -5.215 0.000) 6.545 3.887 ( -5.148 -4.200 0.000) 6.644 4.088 ( -0.140 3.930 0.000) 3.933 4.230 ( -1.637 -5.151 0.000) 5.405 4.589 ( -9.855 -3.092 0.000) 10.329 4.766 ( -10.172 -4.124 0.000) 10.976 6.341 ( -1.254 26.336 0.000) 26.366 6.538 ( 11.078 2.455 0.000) 11.347 6.871 ( 5.151 -0.505 0.000) 5.175 7.689 ( 20.390 -15.631 0.000) 25.692 8.022 ( 16.148 -7.188 0.000) 17.675 8.680 ( 1.526 -7.094 0.000) 7.257 8.853 ( 2.922 2.444 0.000) 3.810 10.021 ( -4.738 -4.136 0.000) 6.290 10.200 ( -15.668 6.684 0.000) 17.034 10.253 ( 6.404 -24.734 0.000) 25.550 10.781 ( -2.530 13.077 0.000) 13.320 10.903 ( -4.427 -5.273 0.000) 6.885 11.177 ( 6.848 -13.745 0.000) 15.356 11.198 ( -1.861 -9.727 0.000) 9.904 11.238 ( -6.294 -4.318 0.000) 7.633 11.814 ( -7.897 11.798 0.000) 14.197 12.173 ( -3.969 18.771 0.000) 19.186 12.413 ( 2.530 3.388 0.000) 4.229 12.929 ( 12.372 4.239 0.000) 13.078 13.028 ( -0.406 -4.039 0.000) 4.060 13.345 ( 3.995 -3.547 0.000) 5.342 13.585 ( 6.373 1.736 0.000) 6.606 13.636 ( -0.413 6.294 0.000) 6.307 13.964 ( 8.396 12.713 0.000) 15.236 14.009 ( 12.507 -11.622 0.000) 17.073 14.228 ( -4.622 -1.493 0.000) 4.857 14.380 ( 18.990 1.270 0.000) 19.032 14.558 ( 24.512 -1.465 0.000) 24.556 14.578 ( -0.189 -4.605 0.000) 4.609 14.946 ( -0.235 -4.250 0.000) 4.256 15.390 ( 21.639 -3.693 0.000) 21.952 15.428 ( -4.491 8.960 0.000) 10.023 16.070 ( -6.302 2.505 0.000) 6.782 16.545 ( 1.888 -10.577 0.000) 10.744 16.585 ( -22.077 -4.055 0.000) 22.447 16.946 ( 6.239 5.063 0.000) 8.035 17.044 ( 6.083 6.933 0.000) 9.223 18.027 ( -14.799 4.835 0.000) 15.569 18.255 ( 11.654 -10.320 0.000) 15.566 18.345 ( 17.585 -6.112 0.000) 18.616 18.840 ( -6.337 -11.625 0.000) 13.240 18.875 ( 5.934 -13.385 0.000) 14.641 19.501 ( -13.467 -3.656 0.000) 13.955 19.571 ( 3.535 5.140 0.000) 6.238 19.748 ( 1.693 -24.027 0.000) 24.086 20.265 ( 6.488 2.365 0.000) 6.905 21.044 ( 20.320 10.035 0.000) 22.663 21.514 ( 3.341 1.682 0.000) 3.740 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 26.505 13.645 0.000) 29.811 1.679 ( 33.838 1.926 0.000) 33.893 2.629 ( 32.978 26.502 0.000) 42.307 2.931 ( 3.102 -2.218 0.000) 3.813 3.414 ( -5.714 -2.538 0.000) 6.252 3.518 ( 2.889 -3.598 0.000) 4.615 3.743 ( -8.165 -4.704 0.000) 9.423 3.786 ( 1.921 -9.974 0.000) 10.157 4.052 ( -3.885 2.557 0.000) 4.651 4.166 ( -5.316 -6.145 0.000) 8.125 4.353 ( -10.381 1.770 0.000) 10.531 4.516 ( -11.946 -3.646 0.000) 12.490 6.420 ( 7.895 24.890 0.000) 26.112 6.866 ( 19.739 1.384 0.000) 19.788 7.010 ( 7.411 1.366 0.000) 7.536 8.066 ( 18.409 -9.109 0.000) 20.540 8.425 ( 17.810 -3.719 0.000) 18.194 8.677 ( -1.816 -7.390 0.000) 7.610 9.049 ( 17.813 -0.770 0.000) 17.830 9.739 ( -20.866 2.021 0.000) 20.963 9.971 ( -5.889 4.202 0.000) 7.234 10.348 ( 2.674 -18.651 0.000) 18.842 10.740 ( -9.579 -5.015 0.000) 10.812 10.761 ( 1.209 5.289 0.000) 5.426 11.014 ( -14.457 -2.147 0.000) 14.615 11.223 ( 3.521 -9.649 0.000) 10.272 11.264 ( -0.470 -6.218 0.000) 6.236 11.631 ( -8.938 9.848 0.000) 13.299 12.017 ( -9.044 19.110 0.000) 21.142 12.347 ( -9.422 3.005 0.000) 9.890 13.109 ( 8.706 -6.410 0.000) 10.811 13.245 ( 14.438 13.477 0.000) 19.750 13.468 ( 6.157 -8.119 0.000) 10.190 13.620 ( -0.936 6.267 0.000) 6.337 13.778 ( 11.783 -1.102 0.000) 11.834 13.952 ( -0.328 -4.118 0.000) 4.131 14.077 ( -8.780 -0.657 0.000) 8.805 14.373 ( 14.589 17.399 0.000) 22.706 14.599 ( 1.975 -11.163 0.000) 11.336 14.899 ( 26.764 8.247 0.000) 28.006 14.964 ( 2.249 -4.173 0.000) 4.741 14.995 ( 23.234 2.229 0.000) 23.341 15.381 ( 0.575 16.948 0.000) 16.958 15.722 ( 0.188 -8.129 0.000) 8.131 15.861 ( -16.591 -5.491 0.000) 17.476 16.138 ( -11.712 4.754 0.000) 12.640 16.750 ( 13.641 -12.038 0.000) 18.193 17.268 ( 29.170 -12.006 0.000) 31.544 17.385 ( 19.633 6.814 0.000) 20.782 17.644 ( -20.450 7.633 0.000) 21.828 18.174 ( -11.617 1.849 0.000) 11.764 18.642 ( -1.768 -19.453 0.000) 19.533 18.839 ( 10.193 -9.654 0.000) 14.039 18.984 ( 3.502 -24.288 0.000) 24.539 19.171 ( -16.439 -1.704 0.000) 16.528 19.561 ( -10.175 -11.034 0.000) 15.009 19.848 ( 16.001 -2.117 0.000) 16.140 20.517 ( 16.445 -0.617 0.000) 16.457 21.523 ( 22.246 3.388 0.000) 22.502 21.587 ( 2.908 2.703 0.000) 3.970 ======================= Grid point 12 (9/120) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 23.956 5.900 0.000) 24.672 2.324 ( 26.745 -5.701 0.000) 27.346 2.997 ( 2.740 -4.130 0.000) 4.956 3.164 ( 13.578 10.205 0.000) 16.986 3.256 ( -5.195 0.620 0.000) 5.232 3.569 ( -7.551 -5.785 0.000) 9.512 3.577 ( 1.879 -3.840 0.000) 4.275 3.738 ( -6.806 -13.394 0.000) 15.024 3.945 ( -4.516 2.530 0.000) 5.176 4.038 ( -4.053 2.928 0.000) 5.000 4.201 ( -5.477 -1.697 0.000) 5.734 4.312 ( -7.775 -3.947 0.000) 8.719 6.645 ( 13.024 22.517 0.000) 26.012 7.140 ( 4.098 5.560 0.000) 6.907 7.337 ( 24.472 -0.301 0.000) 24.474 8.502 ( 19.131 -5.531 0.000) 19.914 8.592 ( -4.893 -5.072 0.000) 7.047 8.691 ( 10.876 2.738 0.000) 11.215 9.291 ( -20.493 3.475 0.000) 20.786 9.587 ( 30.004 -7.118 0.000) 30.837 9.870 ( -4.581 4.382 0.000) 6.339 10.378 ( 0.804 -6.136 0.000) 6.188 10.593 ( -2.361 -5.395 0.000) 5.889 10.617 ( -20.459 -1.497 0.000) 20.514 10.844 ( 3.254 -0.535 0.000) 3.298 11.165 ( -6.878 0.324 0.000) 6.885 11.296 ( 2.426 -10.552 0.000) 10.827 11.428 ( -11.956 8.105 0.000) 14.444 11.840 ( -7.100 17.736 0.000) 19.104 12.094 ( -12.642 2.128 0.000) 12.820 13.317 ( 8.662 -11.890 0.000) 14.711 13.454 ( 5.616 16.619 0.000) 17.542 13.551 ( 0.765 -12.874 0.000) 12.897 13.604 ( -0.732 4.973 0.000) 5.026 13.942 ( -1.798 6.185 0.000) 6.441 13.951 ( 4.190 -4.753 0.000) 6.336 14.100 ( 14.889 -3.393 0.000) 15.271 14.633 ( 0.635 -15.587 0.000) 15.600 14.670 ( 14.591 26.469 0.000) 30.224 15.016 ( 1.148 -6.073 0.000) 6.180 15.285 ( 8.858 9.065 0.000) 12.674 15.423 ( 1.235 20.826 0.000) 20.862 15.499 ( -13.728 -2.159 0.000) 13.897 15.527 ( -7.396 -9.623 0.000) 12.137 15.673 ( 32.275 2.597 0.000) 32.379 16.051 ( 1.801 9.390 0.000) 9.561 16.951 ( 0.237 -6.244 0.000) 6.249 17.270 ( -5.988 10.351 0.000) 11.958 17.781 ( -24.730 4.766 0.000) 25.185 17.795 ( 18.918 1.802 0.000) 19.004 17.964 ( 29.393 -10.571 0.000) 31.236 18.554 ( -10.233 -15.945 0.000) 18.946 18.779 ( -9.647 -11.090 0.000) 14.698 18.990 ( -4.006 -23.932 0.000) 24.265 19.051 ( 2.372 -3.833 0.000) 4.507 19.266 ( -14.493 -12.458 0.000) 19.112 20.410 ( 35.591 -3.140 0.000) 35.729 20.892 ( 18.468 -0.920 0.000) 18.491 21.601 ( -2.019 3.038 0.000) 3.647 21.856 ( 7.200 -1.998 0.000) 7.472 ======================= Grid point 13 (10/120) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( 18.872 0.033 0.000) 18.872 2.753 ( 11.483 -9.263 0.000) 14.754 2.987 ( -10.695 1.397 0.000) 10.785 3.009 ( -2.842 -4.896 0.000) 5.661 3.428 ( 4.467 -0.954 0.000) 4.568 3.454 ( -2.281 -6.392 0.000) 6.787 3.583 ( -1.287 -1.665 0.000) 2.105 3.588 ( -4.524 -5.316 0.000) 6.981 3.929 ( 2.944 0.845 0.000) 3.063 4.002 ( -1.793 2.095 0.000) 2.758 4.109 ( -1.475 -3.188 0.000) 3.513 4.172 ( -5.647 -3.316 0.000) 6.548 6.929 ( 13.052 18.923 0.000) 22.987 7.134 ( -5.349 12.432 0.000) 13.534 7.857 ( 24.295 -2.632 0.000) 24.437 8.310 ( -17.997 -5.369 0.000) 18.781 8.753 ( 6.226 0.147 0.000) 6.228 8.936 ( -12.641 2.646 0.000) 12.915 9.162 ( 28.577 5.250 0.000) 29.055 9.681 ( -17.332 5.000 0.000) 18.039 10.076 ( 11.228 -14.747 0.000) 18.535 10.238 ( -11.622 -6.640 0.000) 13.385 10.500 ( 14.521 6.306 0.000) 15.831 10.688 ( 12.055 -2.556 0.000) 12.323 10.785 ( -10.166 -2.688 0.000) 10.515 11.076 ( -18.705 6.947 0.000) 19.953 11.154 ( 4.045 0.542 0.000) 4.081 11.283 ( -4.369 -6.245 0.000) 7.621 11.764 ( 0.767 12.448 0.000) 12.471 11.868 ( -8.464 4.805 0.000) 9.733 13.433 ( 3.628 -14.724 0.000) 15.164 13.507 ( -3.056 -16.352 0.000) 16.635 13.528 ( 1.730 12.442 0.000) 12.561 13.571 ( -2.167 5.273 0.000) 5.701 14.018 ( 5.591 11.635 0.000) 12.909 14.044 ( 3.172 4.594 0.000) 5.583 14.418 ( 14.152 -6.588 0.000) 15.611 14.612 ( -3.414 -13.435 0.000) 13.862 14.908 ( 3.736 12.033 0.000) 12.599 14.943 ( -5.809 -9.286 0.000) 10.953 15.227 ( -1.339 3.041 0.000) 3.323 15.342 ( -5.020 10.672 0.000) 11.793 15.408 ( 0.076 11.234 0.000) 11.234 15.462 ( -1.796 2.749 0.000) 3.284 16.230 ( 14.674 13.112 0.000) 19.679 16.409 ( 29.546 6.484 0.000) 30.249 16.654 ( -13.410 7.152 0.000) 15.198 17.176 ( -32.254 3.878 0.000) 32.486 17.571 ( 23.637 -2.422 0.000) 23.760 18.035 ( -11.648 -3.621 0.000) 12.198 18.300 ( 4.801 -7.961 0.000) 9.297 18.387 ( 9.679 -10.961 0.000) 14.623 18.695 ( -2.278 -13.485 0.000) 13.676 18.767 ( -13.165 -9.029 0.000) 15.964 19.070 ( 0.106 -7.765 0.000) 7.765 19.094 ( -2.941 -15.328 0.000) 15.607 21.163 ( 28.506 -5.335 0.000) 29.001 21.280 ( 21.828 -0.647 0.000) 21.838 21.485 ( -9.287 1.823 0.000) 9.464 21.769 ( -15.797 -5.058 0.000) 16.587 ======================= Grid point 18 (11/120) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 0.000 34.301 0.000) 34.301 1.657 ( 0.000 38.317 0.000) 38.317 2.399 ( 0.000 47.947 0.000) 47.947 2.826 ( 0.000 -6.463 0.000) 6.463 3.276 ( 0.000 -14.165 0.000) 14.165 3.412 ( 0.000 0.649 0.000) 0.649 3.599 ( 0.000 -4.239 0.000) 4.239 3.828 ( 0.000 -7.356 0.000) 7.356 4.155 ( 0.000 -3.731 0.000) 3.731 4.215 ( 0.000 8.200 0.000) 8.200 4.560 ( 0.000 -9.131 0.000) 9.131 4.758 ( 0.000 -7.734 0.000) 7.734 6.498 ( 0.000 4.897 0.000) 4.897 6.779 ( 0.000 -2.732 0.000) 2.732 6.853 ( 0.000 24.489 0.000) 24.489 7.338 ( 0.000 1.056 0.000) 1.056 7.683 ( 0.000 -7.402 0.000) 7.402 8.482 ( 0.000 -14.078 0.000) 14.078 8.864 ( 0.000 2.928 0.000) 2.928 9.635 ( 0.000 -26.646 0.000) 26.646 9.981 ( 0.000 -0.591 0.000) 0.591 10.649 ( 0.000 -20.430 0.000) 20.430 10.661 ( 0.000 12.600 0.000) 12.600 10.862 ( 0.000 -2.000 0.000) 2.000 11.069 ( 0.000 -6.911 0.000) 6.911 11.177 ( 0.000 -7.408 0.000) 7.408 11.215 ( 0.000 23.695 0.000) 23.695 12.111 ( 0.000 4.990 0.000) 4.990 12.434 ( 0.000 5.622 0.000) 5.622 12.467 ( 0.000 13.036 0.000) 13.036 12.824 ( 0.000 -0.434 0.000) 0.434 12.935 ( 0.000 -7.511 0.000) 7.511 13.372 ( 0.000 -0.952 0.000) 0.952 13.443 ( 0.000 -0.183 0.000) 0.183 13.642 ( 0.000 2.449 0.000) 2.449 13.796 ( 0.000 9.110 0.000) 9.110 13.822 ( 0.000 -8.613 0.000) 8.613 14.210 ( 0.000 -5.694 0.000) 5.694 14.345 ( 0.000 6.023 0.000) 6.023 14.425 ( 0.000 8.493 0.000) 8.493 14.526 ( 0.000 -2.585 0.000) 2.585 14.837 ( 0.000 -8.163 0.000) 8.163 15.515 ( 0.000 21.195 0.000) 21.195 15.702 ( 0.000 18.183 0.000) 18.183 16.377 ( 0.000 11.933 0.000) 11.933 16.425 ( 0.000 -8.109 0.000) 8.109 16.664 ( 0.000 1.055 0.000) 1.055 17.191 ( 0.000 21.300 0.000) 21.300 17.308 ( 0.000 -20.126 0.000) 20.126 17.414 ( 0.000 -3.820 0.000) 3.820 17.947 ( 0.000 -22.204 0.000) 22.204 18.315 ( 0.000 7.409 0.000) 7.409 18.656 ( 0.000 -10.321 0.000) 10.321 18.895 ( 0.000 5.236 0.000) 5.236 19.188 ( 0.000 -27.813 0.000) 27.813 19.500 ( 0.000 -10.083 0.000) 10.083 19.643 ( 0.000 7.247 0.000) 7.247 20.183 ( 0.000 -5.458 0.000) 5.458 21.098 ( 0.000 14.119 0.000) 14.119 21.490 ( 0.000 -0.037 0.000) 0.037 ======================= Grid point 19 (12/120) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 11.346 29.446 0.000) 31.556 1.656 ( 4.843 36.127 0.000) 36.451 2.676 ( 20.614 35.646 0.000) 41.178 2.830 ( 0.409 -6.463 0.000) 6.476 3.311 ( 2.722 -13.019 0.000) 13.301 3.418 ( 0.688 -0.564 0.000) 0.890 3.581 ( -2.098 -7.197 0.000) 7.496 3.772 ( -5.187 -7.212 0.000) 8.884 4.133 ( -1.751 -2.982 0.000) 3.458 4.195 ( -2.127 6.747 0.000) 7.074 4.498 ( -5.420 -6.138 0.000) 8.189 4.655 ( -9.177 -6.874 0.000) 11.466 6.606 ( 10.172 4.309 0.000) 11.047 6.847 ( 6.347 -2.058 0.000) 6.672 6.890 ( 3.592 29.021 0.000) 29.243 7.537 ( 16.512 -2.138 0.000) 16.650 7.868 ( 17.551 -7.291 0.000) 19.006 8.491 ( 0.722 -13.204 0.000) 13.223 8.893 ( 2.947 2.234 0.000) 3.698 9.692 ( 5.310 -29.029 0.000) 29.511 9.972 ( -1.579 -0.101 0.000) 1.582 10.275 ( -18.006 -1.200 0.000) 18.046 10.841 ( -3.073 -1.152 0.000) 3.282 10.968 ( 10.393 -4.871 0.000) 11.478 11.034 ( -1.888 -6.877 0.000) 7.132 11.079 ( -5.360 3.766 0.000) 6.551 11.195 ( -3.699 12.044 0.000) 12.599 11.983 ( -9.531 4.535 0.000) 10.555 12.510 ( 3.420 6.004 0.000) 6.910 12.516 ( -0.336 15.788 0.000) 15.791 12.920 ( -0.897 -6.706 0.000) 6.765 12.987 ( 15.898 1.152 0.000) 15.940 13.335 ( 1.683 1.341 0.000) 2.152 13.584 ( 4.309 -3.345 0.000) 5.455 13.790 ( -0.901 8.430 0.000) 8.478 13.837 ( 8.498 -4.159 0.000) 9.461 13.978 ( 28.429 -6.058 0.000) 29.067 14.155 ( -4.625 -5.881 0.000) 7.482 14.471 ( -4.729 -4.655 0.000) 6.636 14.516 ( 10.300 9.313 0.000) 13.886 14.608 ( 20.611 3.471 0.000) 20.901 14.818 ( -0.856 -8.697 0.000) 8.739 15.584 ( 7.031 17.522 0.000) 18.880 15.719 ( 1.692 19.728 0.000) 19.800 16.139 ( -15.007 4.401 0.000) 15.639 16.381 ( -2.872 -8.113 0.000) 8.606 16.495 ( -19.334 -3.785 0.000) 19.701 17.184 ( -0.004 18.919 0.000) 18.919 17.230 ( 14.985 11.005 0.000) 18.591 17.853 ( 9.614 -29.153 0.000) 30.697 18.133 ( 21.821 -13.434 0.000) 25.624 18.150 ( -13.443 7.049 0.000) 15.179 18.646 ( -1.905 -11.699 0.000) 11.853 18.779 ( -10.659 4.757 0.000) 11.673 19.210 ( 0.196 -28.625 0.000) 28.625 19.370 ( -11.595 -9.216 0.000) 14.811 19.721 ( 7.692 8.487 0.000) 11.454 20.242 ( 6.386 -4.555 0.000) 7.843 21.262 ( 14.311 10.873 0.000) 17.973 21.544 ( 4.610 0.927 0.000) 4.702 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 17.851 20.507 0.000) 27.188 1.925 ( 16.605 19.528 0.000) 25.633 2.845 ( 1.105 -7.034 0.000) 7.120 3.085 ( 16.198 16.271 0.000) 22.959 3.345 ( -0.769 -5.721 0.000) 5.772 3.443 ( 1.679 -3.070 0.000) 3.499 3.500 ( -5.109 -16.309 0.000) 17.091 3.626 ( -8.296 -6.702 0.000) 10.665 4.098 ( -1.234 0.510 0.000) 1.335 4.118 ( -5.291 4.091 0.000) 6.688 4.361 ( -7.169 -0.973 0.000) 7.235 4.425 ( -11.352 -5.282 0.000) 12.521 6.906 ( 18.011 2.623 0.000) 18.201 7.007 ( 7.802 32.878 0.000) 33.791 7.029 ( 10.493 0.240 0.000) 10.496 7.961 ( 23.330 -0.561 0.000) 23.337 8.334 ( 23.393 -5.388 0.000) 24.006 8.500 ( -0.019 -10.785 0.000) 10.785 9.022 ( 11.192 -1.271 0.000) 11.264 9.792 ( -17.323 3.327 0.000) 17.639 9.842 ( 8.711 -29.134 0.000) 30.409 10.017 ( -5.461 -0.635 0.000) 5.497 10.720 ( -7.196 1.654 0.000) 7.383 10.918 ( -4.723 5.381 0.000) 7.160 11.015 ( -11.511 5.560 0.000) 12.784 11.036 ( 1.739 -8.825 0.000) 8.995 11.185 ( 3.365 0.282 0.000) 3.377 11.773 ( -10.110 3.601 0.000) 10.732 12.397 ( -8.862 18.875 0.000) 20.852 12.443 ( -10.140 6.637 0.000) 12.119 12.953 ( 4.198 -8.955 0.000) 9.890 13.287 ( 3.673 -8.060 0.000) 8.857 13.493 ( 16.874 5.332 0.000) 17.696 13.702 ( 8.521 -5.508 0.000) 10.146 13.753 ( -2.351 6.100 0.000) 6.537 13.986 ( 4.909 9.961 0.000) 11.106 14.052 ( -3.906 -2.260 0.000) 4.512 14.390 ( -1.741 -7.757 0.000) 7.950 14.654 ( 27.300 6.953 0.000) 28.171 14.825 ( 1.274 -9.730 0.000) 9.813 14.941 ( 31.957 -1.054 0.000) 31.974 15.068 ( 21.095 0.949 0.000) 21.117 15.698 ( -2.708 9.159 0.000) 9.551 15.767 ( 1.839 18.336 0.000) 18.428 15.807 ( -15.600 0.171 0.000) 15.601 16.222 ( -4.616 7.281 0.000) 8.621 16.476 ( 15.788 -13.197 0.000) 20.577 17.268 ( 11.732 10.613 0.000) 15.820 17.591 ( 16.343 13.793 0.000) 21.386 17.829 ( -16.065 10.566 0.000) 19.228 17.975 ( 5.454 -28.115 0.000) 28.639 18.394 ( -14.361 0.195 0.000) 14.362 18.570 ( -4.902 -18.449 0.000) 19.090 18.623 ( 8.994 -10.905 0.000) 14.135 19.058 ( -16.945 -9.073 0.000) 19.222 19.130 ( -8.080 -27.013 0.000) 28.196 19.978 ( 17.364 9.838 0.000) 19.958 20.472 ( 15.365 -4.187 0.000) 15.925 21.603 ( 15.582 4.161 0.000) 16.128 21.647 ( 4.220 2.893 0.000) 5.116 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 16.058 9.459 0.000) 18.637 2.305 ( 17.700 4.684 0.000) 18.309 2.872 ( 1.146 -8.396 0.000) 8.474 3.214 ( -9.814 -3.315 0.000) 10.358 3.295 ( 2.246 -5.209 0.000) 5.672 3.450 ( -7.395 -5.503 0.000) 9.218 3.458 ( 1.977 -8.809 0.000) 9.029 3.483 ( 1.503 -5.072 0.000) 5.290 3.998 ( -4.901 2.957 0.000) 5.724 4.080 ( -1.017 3.085 0.000) 3.249 4.209 ( -7.013 1.441 0.000) 7.160 4.226 ( -7.389 -4.430 0.000) 8.615 7.203 ( 10.069 31.743 0.000) 33.302 7.254 ( 10.298 5.090 0.000) 11.487 7.334 ( 22.021 0.033 0.000) 22.021 8.379 ( 1.752 -7.106 0.000) 7.319 8.520 ( 13.687 -0.821 0.000) 13.712 8.772 ( 19.958 5.056 0.000) 20.589 9.393 ( -19.185 6.998 0.000) 20.422 9.402 ( 22.381 -10.332 0.000) 24.651 9.906 ( -6.113 -2.717 0.000) 6.690 10.075 ( 15.172 -21.972 0.000) 26.701 10.601 ( -3.022 4.377 0.000) 5.319 10.671 ( -20.954 8.211 0.000) 22.505 10.871 ( -1.035 3.338 0.000) 3.495 11.083 ( 2.332 -10.844 0.000) 11.092 11.164 ( -4.100 -0.403 0.000) 4.120 11.534 ( -14.478 0.991 0.000) 14.512 12.191 ( -11.169 8.066 0.000) 13.777 12.211 ( -8.250 19.402 0.000) 21.083 13.039 ( 3.321 -15.903 0.000) 16.246 13.259 ( -3.537 -14.677 0.000) 15.097 13.719 ( -0.110 6.824 0.000) 6.825 13.828 ( 12.741 3.319 0.000) 13.166 13.914 ( 6.081 11.664 0.000) 13.154 14.044 ( 6.355 2.023 0.000) 6.669 14.065 ( 5.809 5.289 0.000) 7.856 14.380 ( -0.268 -9.150 0.000) 9.154 14.831 ( -2.156 -11.867 0.000) 12.062 15.130 ( 16.143 7.433 0.000) 17.772 15.322 ( -4.346 -1.242 0.000) 4.520 15.504 ( 6.649 11.447 0.000) 13.238 15.529 ( -8.483 5.353 0.000) 10.031 15.767 ( 33.960 8.929 0.000) 35.114 15.791 ( -0.741 12.328 0.000) 12.350 16.280 ( 9.055 16.817 0.000) 19.099 16.795 ( 10.883 -10.468 0.000) 15.100 17.496 ( -10.109 11.204 0.000) 15.090 17.785 ( 27.558 -3.589 0.000) 27.791 17.858 ( 8.280 1.426 0.000) 8.402 17.913 ( -25.968 8.065 0.000) 27.191 18.125 ( 7.031 -21.791 0.000) 22.897 18.469 ( -3.481 -26.088 0.000) 26.320 18.569 ( -18.220 -10.816 0.000) 21.189 18.870 ( 0.890 -13.763 0.000) 13.791 18.906 ( -12.171 -22.192 0.000) 25.310 20.463 ( 28.858 6.797 0.000) 29.648 20.850 ( 19.806 -3.415 0.000) 20.098 21.674 ( -2.204 3.946 0.000) 4.520 21.818 ( 2.862 -1.663 0.000) 3.310 ======================= Grid point 22 (15/120) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 10.254 -0.543 0.000) 10.268 2.592 ( 8.187 -5.414 0.000) 9.815 2.885 ( 0.574 -7.583 0.000) 7.604 2.987 ( -9.840 -3.597 0.000) 10.477 3.299 ( -0.109 -8.141 0.000) 8.142 3.330 ( -3.534 -4.940 0.000) 6.074 3.503 ( 1.196 -4.395 0.000) 4.555 3.508 ( 0.535 -5.365 0.000) 5.391 3.953 ( 0.827 2.004 0.000) 2.168 4.020 ( -4.630 1.447 0.000) 4.851 4.112 ( -1.635 1.726 0.000) 2.378 4.120 ( -2.581 -2.012 0.000) 3.273 7.383 ( 5.941 24.556 0.000) 25.264 7.411 ( 3.613 13.699 0.000) 14.167 7.797 ( 21.340 -3.191 0.000) 21.577 8.187 ( -15.033 -6.739 0.000) 16.475 8.786 ( 9.977 4.328 0.000) 10.875 9.032 ( -14.600 7.695 0.000) 16.504 9.311 ( 28.063 8.076 0.000) 29.202 9.740 ( -11.439 -3.393 0.000) 11.932 9.788 ( 14.495 -12.436 0.000) 19.099 10.175 ( -24.208 4.968 0.000) 24.712 10.535 ( 27.450 -11.648 0.000) 29.819 10.628 ( 5.853 5.199 0.000) 7.829 10.786 ( -7.684 1.871 0.000) 7.908 11.106 ( -12.204 -5.960 0.000) 13.581 11.119 ( 0.745 -9.812 0.000) 9.840 11.126 ( -12.899 -2.151 0.000) 13.077 12.043 ( -2.622 12.973 0.000) 13.235 12.070 ( -4.660 17.958 0.000) 18.552 13.103 ( 3.246 -18.110 0.000) 18.399 13.178 ( -3.855 -17.094 0.000) 17.523 13.758 ( 3.693 12.523 0.000) 13.057 13.859 ( -5.355 19.455 0.000) 20.178 14.058 ( 9.154 -0.141 0.000) 9.155 14.184 ( -0.407 5.547 0.000) 5.562 14.316 ( 13.729 -5.302 0.000) 14.717 14.420 ( 6.098 -6.861 0.000) 9.180 14.716 ( -5.568 -12.561 0.000) 13.739 14.912 ( -19.410 -10.113 0.000) 21.887 15.461 ( 6.619 19.032 0.000) 20.150 15.473 ( 1.562 9.277 0.000) 9.407 15.635 ( 4.559 12.779 0.000) 13.568 15.739 ( -4.238 14.052 0.000) 14.678 16.539 ( 36.791 6.673 0.000) 37.391 16.544 ( 14.851 18.507 0.000) 23.729 16.832 ( -9.442 8.962 0.000) 13.018 17.278 ( -33.207 5.914 0.000) 33.729 17.522 ( 16.026 -1.610 0.000) 16.106 17.925 ( -11.233 -8.084 0.000) 13.839 18.094 ( -5.255 -12.597 0.000) 13.649 18.118 ( 1.180 -15.323 0.000) 15.368 18.400 ( 7.609 -13.355 0.000) 15.370 18.529 ( 4.870 -14.524 0.000) 15.319 18.687 ( -3.684 -22.484 0.000) 22.784 18.824 ( -6.364 -15.998 0.000) 17.218 21.111 ( 29.561 0.614 0.000) 29.568 21.264 ( 19.538 -1.238 0.000) 19.577 21.531 ( -11.835 2.653 0.000) 12.129 21.678 ( -16.097 -3.567 0.000) 16.488 ======================= Grid point 27 (16/120) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 0.000 27.798 0.000) 27.798 2.347 ( 0.000 31.472 0.000) 31.472 2.573 ( 0.000 -18.864 0.000) 18.864 2.872 ( 0.000 -19.410 0.000) 19.410 3.172 ( 0.000 22.139 0.000) 22.139 3.476 ( 0.000 -9.152 0.000) 9.152 3.498 ( 0.000 7.347 0.000) 7.347 3.664 ( 0.000 -8.908 0.000) 8.908 4.160 ( 0.000 5.509 0.000) 5.509 4.350 ( 0.000 -11.671 0.000) 11.671 4.395 ( 0.000 9.727 0.000) 9.727 4.586 ( 0.000 -9.492 0.000) 9.492 6.603 ( 0.000 5.576 0.000) 5.576 6.706 ( 0.000 -4.633 0.000) 4.633 7.283 ( 0.000 13.671 0.000) 13.671 7.359 ( 0.000 0.626 0.000) 0.626 7.662 ( 0.000 10.292 0.000) 10.292 8.081 ( 0.000 -25.092 0.000) 25.092 8.973 ( 0.000 8.508 0.000) 8.508 9.209 ( 0.000 -16.114 0.000) 16.114 10.053 ( 0.000 7.981 0.000) 7.981 10.288 ( 0.000 -15.620 0.000) 15.620 10.869 ( 0.000 8.823 0.000) 8.823 10.869 ( 0.000 2.555 0.000) 2.555 10.950 ( 0.000 -5.285 0.000) 5.285 11.027 ( 0.000 -7.719 0.000) 7.719 11.705 ( 0.000 23.997 0.000) 23.997 12.064 ( 0.000 -10.669 0.000) 10.669 12.574 ( 0.000 8.415 0.000) 8.415 12.677 ( 0.000 8.253 0.000) 8.253 12.757 ( 0.000 -9.913 0.000) 9.913 12.790 ( 0.000 -3.411 0.000) 3.411 13.374 ( 0.000 1.387 0.000) 1.387 13.419 ( 0.000 -2.429 0.000) 2.429 13.676 ( 0.000 0.990 0.000) 0.990 13.704 ( 0.000 -2.993 0.000) 2.993 13.963 ( 0.000 7.185 0.000) 7.185 14.085 ( 0.000 -6.079 0.000) 6.079 14.445 ( 0.000 3.964 0.000) 3.964 14.493 ( 0.000 -0.419 0.000) 0.419 14.524 ( 0.000 3.329 0.000) 3.329 14.657 ( 0.000 -9.117 0.000) 9.117 15.928 ( 0.000 18.805 0.000) 18.805 16.178 ( 0.000 28.687 0.000) 28.687 16.229 ( 0.000 -12.135 0.000) 12.135 16.590 ( 0.000 8.741 0.000) 8.741 16.649 ( 0.000 -5.940 0.000) 5.940 16.816 ( 0.000 -25.943 0.000) 25.943 17.396 ( 0.000 3.218 0.000) 3.218 17.570 ( 0.000 -14.525 0.000) 14.525 17.711 ( 0.000 30.602 0.000) 30.602 18.311 ( 0.000 -26.752 0.000) 26.752 18.482 ( 0.000 9.630 0.000) 9.630 18.720 ( 0.000 -16.646 0.000) 16.646 19.060 ( 0.000 10.484 0.000) 10.484 19.282 ( 0.000 -11.618 0.000) 11.618 19.817 ( 0.000 10.193 0.000) 10.193 20.023 ( 0.000 -10.049 0.000) 10.049 21.329 ( 0.000 9.161 0.000) 9.161 21.456 ( 0.000 -3.837 0.000) 3.837 ======================= Grid point 28 (17/120) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 5.238 25.284 0.000) 25.821 2.344 ( 0.750 32.697 0.000) 32.706 2.592 ( 1.772 -17.461 0.000) 17.551 2.907 ( 2.553 -22.955 0.000) 23.097 3.226 ( 4.365 15.368 0.000) 15.976 3.440 ( -3.295 -7.722 0.000) 8.395 3.473 ( -2.105 5.788 0.000) 6.158 3.617 ( -4.347 -8.134 0.000) 9.223 4.170 ( 0.906 6.909 0.000) 6.968 4.343 ( -4.751 8.128 0.000) 9.414 4.346 ( -0.665 -9.160 0.000) 9.184 4.505 ( -7.279 -8.139 0.000) 10.919 6.699 ( 8.969 4.886 0.000) 10.214 6.788 ( 7.669 -3.929 0.000) 8.617 7.424 ( 10.846 21.012 0.000) 23.646 7.548 ( 17.406 1.739 0.000) 17.493 7.790 ( 13.236 3.057 0.000) 13.585 8.129 ( 4.166 -22.950 0.000) 23.325 8.978 ( 1.001 7.376 0.000) 7.444 9.218 ( 1.652 -17.921 0.000) 17.997 10.025 ( -3.060 5.396 0.000) 6.203 10.166 ( -10.099 -7.949 0.000) 12.852 10.853 ( -2.025 2.208 0.000) 2.996 10.922 ( -2.196 -4.656 0.000) 5.148 10.942 ( 5.224 1.625 0.000) 5.471 11.006 ( -1.724 -4.491 0.000) 4.811 11.625 ( -7.049 22.433 0.000) 23.515 11.950 ( -9.163 -9.057 0.000) 12.884 12.633 ( 3.197 6.592 0.000) 7.327 12.775 ( 0.871 -7.690 0.000) 7.739 12.787 ( 5.148 11.577 0.000) 12.670 12.954 ( 12.399 -5.000 0.000) 13.369 13.379 ( 2.189 3.185 0.000) 3.865 13.471 ( 1.704 -6.178 0.000) 6.409 13.825 ( 15.190 1.543 0.000) 15.268 13.877 ( 23.638 -3.766 0.000) 23.936 13.929 ( -3.477 5.326 0.000) 6.361 14.029 ( -4.726 -5.881 0.000) 7.544 14.462 ( -4.746 4.562 0.000) 6.583 14.623 ( -2.048 -10.285 0.000) 10.486 14.635 ( 12.948 2.989 0.000) 13.289 14.654 ( 16.449 0.868 0.000) 16.472 15.936 ( 1.116 16.218 0.000) 16.256 16.077 ( -8.694 12.239 0.000) 15.013 16.198 ( -2.134 -10.822 0.000) 11.030 16.201 ( -20.240 -1.014 0.000) 20.265 16.580 ( -1.668 18.480 0.000) 18.555 17.132 ( 12.849 -30.740 0.000) 33.317 17.562 ( 14.446 11.542 0.000) 18.491 17.671 ( -3.324 29.034 0.000) 29.223 17.848 ( 21.070 -15.251 0.000) 26.010 18.180 ( -9.758 -14.381 0.000) 17.379 18.461 ( -4.162 1.189 0.000) 4.328 18.696 ( -2.610 -20.278 0.000) 20.445 18.941 ( -11.038 10.434 0.000) 15.190 19.161 ( -11.100 -11.436 0.000) 15.937 19.908 ( 8.621 10.136 0.000) 13.307 20.102 ( 7.765 -9.093 0.000) 11.958 21.442 ( 9.746 7.000 0.000) 11.999 21.533 ( 6.666 -2.389 0.000) 7.081 ======================= Grid point 29 (18/120) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 8.009 18.843 0.000) 20.474 2.404 ( 4.689 27.511 0.000) 27.908 2.639 ( 2.415 -13.969 0.000) 14.176 2.940 ( -0.209 -25.472 0.000) 25.473 3.316 ( 3.627 3.299 0.000) 4.903 3.356 ( -4.066 -2.092 0.000) 4.573 3.425 ( -2.065 1.574 0.000) 2.596 3.500 ( -6.305 -5.584 0.000) 8.422 4.187 ( 0.221 6.958 0.000) 6.961 4.210 ( -7.499 5.172 0.000) 9.109 4.308 ( -3.136 -4.569 0.000) 5.541 4.317 ( -9.707 -5.588 0.000) 11.201 6.963 ( 15.830 2.957 0.000) 16.103 7.013 ( 13.385 -1.839 0.000) 13.510 7.642 ( 9.374 29.702 0.000) 31.146 8.012 ( 23.088 0.537 0.000) 23.094 8.186 ( 16.267 -8.784 0.000) 18.487 8.268 ( 16.899 -10.656 0.000) 19.978 9.051 ( 6.914 5.923 0.000) 9.104 9.317 ( 8.583 -21.611 0.000) 23.253 9.869 ( -12.893 4.458 0.000) 13.642 9.959 ( -8.201 -4.361 0.000) 9.288 10.780 ( -4.160 4.234 0.000) 5.936 10.885 ( -1.070 -6.495 0.000) 6.583 10.958 ( -2.177 2.224 0.000) 3.112 11.022 ( 0.296 -3.692 0.000) 3.704 11.440 ( -10.073 18.735 0.000) 21.271 11.730 ( -11.638 -8.822 0.000) 14.604 12.594 ( -7.622 8.489 0.000) 11.408 12.752 ( -6.771 17.163 0.000) 18.450 12.771 ( -1.762 -9.305 0.000) 9.471 13.064 ( -3.257 -14.203 0.000) 14.571 13.551 ( 13.600 2.495 0.000) 13.827 13.613 ( 12.011 -3.723 0.000) 12.575 13.846 ( -2.568 4.320 0.000) 5.025 13.957 ( -0.212 -6.698 0.000) 6.701 14.262 ( 19.751 15.846 0.000) 25.322 14.391 ( -1.524 7.570 0.000) 7.722 14.558 ( 32.712 -13.041 0.000) 35.216 14.602 ( -0.171 -12.174 0.000) 12.175 14.986 ( 22.145 4.122 0.000) 22.525 15.048 ( 21.028 -2.098 0.000) 21.132 15.847 ( -12.223 3.528 0.000) 12.722 15.912 ( -6.796 -1.600 0.000) 6.981 15.971 ( 1.712 14.927 0.000) 15.025 16.235 ( 8.599 -12.164 0.000) 14.897 16.625 ( 5.213 31.534 0.000) 31.962 17.311 ( 6.272 -36.147 0.000) 36.687 17.618 ( -0.174 22.667 0.000) 22.668 17.905 ( 15.408 17.285 0.000) 23.155 17.973 ( -9.006 -4.172 0.000) 9.925 18.241 ( 13.341 -15.818 0.000) 20.693 18.300 ( -10.224 -1.348 0.000) 10.312 18.598 ( -6.663 -24.656 0.000) 25.541 18.627 ( -17.589 9.443 0.000) 19.963 18.846 ( -18.239 -11.735 0.000) 21.688 20.176 ( 17.060 9.860 0.000) 19.705 20.353 ( 16.072 -7.775 0.000) 17.854 21.669 ( 10.041 2.267 0.000) 10.294 21.685 ( 6.437 0.703 0.000) 6.475 ======================= Grid point 30 (19/120) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 7.067 10.568 0.000) 12.713 2.510 ( 4.817 15.669 0.000) 16.393 2.683 ( 1.622 -10.395 0.000) 10.521 2.887 ( -4.408 -21.407 0.000) 21.856 3.290 ( -1.930 3.333 0.000) 3.851 3.372 ( 1.706 -4.284 0.000) 4.611 3.378 ( -4.766 -1.383 0.000) 4.963 3.398 ( -0.645 -3.126 0.000) 3.192 4.064 ( -5.484 3.708 0.000) 6.620 4.142 ( -6.279 -4.131 0.000) 7.516 4.163 ( -2.756 4.259 0.000) 5.073 4.218 ( -5.131 -1.050 0.000) 5.237 7.322 ( 15.547 1.825 0.000) 15.654 7.336 ( 19.096 0.009 0.000) 19.096 7.794 ( 4.459 26.000 0.000) 26.380 8.181 ( -1.981 -13.907 0.000) 14.047 8.608 ( 21.763 9.516 0.000) 23.752 8.803 ( 26.083 -5.691 0.000) 26.697 9.307 ( 18.081 5.492 0.000) 18.897 9.564 ( -15.391 10.076 0.000) 18.396 9.615 ( 21.307 -22.441 0.000) 30.945 9.768 ( -10.328 -9.882 0.000) 14.294 10.718 ( -1.002 7.248 0.000) 7.317 10.861 ( -11.191 7.853 0.000) 13.671 10.882 ( 0.896 -9.398 0.000) 9.440 10.940 ( -5.821 0.722 0.000) 5.866 11.212 ( -11.380 8.385 0.000) 14.135 11.437 ( -17.604 -10.380 0.000) 20.437 12.409 ( -7.123 13.754 0.000) 15.489 12.590 ( -7.713 18.960 0.000) 20.469 12.713 ( -2.008 -16.643 0.000) 16.764 12.947 ( -6.242 -17.129 0.000) 18.231 13.836 ( 12.862 1.994 0.000) 13.015 13.875 ( 5.099 8.945 0.000) 10.296 13.905 ( 14.547 -4.425 0.000) 15.205 14.049 ( 8.541 -7.368 0.000) 11.280 14.367 ( -1.825 7.963 0.000) 8.169 14.424 ( -2.786 23.493 0.000) 23.658 14.583 ( -2.552 -12.591 0.000) 12.847 14.859 ( -3.049 -20.332 0.000) 20.560 15.525 ( 25.397 8.651 0.000) 26.830 15.613 ( 23.710 -0.330 0.000) 23.712 15.679 ( -3.394 8.934 0.000) 9.557 15.835 ( -0.719 -5.328 0.000) 5.376 16.110 ( 16.693 22.578 0.000) 28.079 16.518 ( 16.247 -17.746 0.000) 24.060 16.776 ( 8.777 31.328 0.000) 32.535 17.426 ( 4.273 -33.044 0.000) 33.319 17.662 ( -0.530 8.735 0.000) 8.751 17.860 ( 0.114 -1.988 0.000) 1.992 18.085 ( -15.482 9.682 0.000) 18.260 18.108 ( -4.123 0.563 0.000) 4.162 18.155 ( -3.636 9.357 0.000) 10.038 18.374 ( -15.063 -6.019 0.000) 16.221 18.446 ( -6.790 -23.247 0.000) 24.218 18.555 ( -0.839 -16.814 0.000) 16.834 20.617 ( 24.687 7.948 0.000) 25.935 20.757 ( 21.895 -6.040 0.000) 22.712 21.744 ( -1.792 2.924 0.000) 3.429 21.788 ( -0.273 -1.662 0.000) 1.685 ======================= Grid point 31 (20/120) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 2.841 3.603 0.000) 4.588 2.586 ( 2.153 5.320 0.000) 5.739 2.714 ( 1.990 -8.908 0.000) 9.127 2.786 ( -4.646 -13.431 0.000) 14.212 3.276 ( 0.481 4.300 0.000) 4.327 3.305 ( -2.296 2.388 0.000) 3.313 3.391 ( 0.319 -6.451 0.000) 6.459 3.393 ( -0.026 -5.768 0.000) 5.768 4.010 ( 0.552 3.463 0.000) 3.507 4.074 ( -4.807 3.275 0.000) 5.817 4.075 ( -0.019 -2.857 0.000) 2.857 4.121 ( -3.766 -1.086 0.000) 3.919 7.624 ( 12.366 7.728 0.000) 14.582 7.731 ( 17.723 -3.849 0.000) 18.136 7.802 ( -4.111 16.653 0.000) 17.153 8.041 ( -11.204 -8.735 0.000) 14.207 8.958 ( 13.666 13.284 0.000) 19.058 9.247 ( -14.539 13.761 0.000) 20.019 9.257 ( 16.265 -14.175 0.000) 21.575 9.536 ( -11.775 -14.404 0.000) 18.604 9.813 ( 29.662 15.608 0.000) 33.518 10.198 ( 31.624 -20.539 0.000) 37.708 10.437 ( -27.318 18.131 0.000) 32.788 10.760 ( 5.335 7.620 0.000) 9.302 10.761 ( -16.124 -10.174 0.000) 19.066 10.926 ( 3.391 -9.258 0.000) 9.859 10.974 ( -15.621 -1.409 0.000) 15.684 11.042 ( -10.746 -5.227 0.000) 11.950 12.356 ( 1.745 18.135 0.000) 18.219 12.445 ( -6.005 19.620 0.000) 20.519 12.731 ( 3.371 -19.451 0.000) 19.741 12.826 ( -5.302 -18.805 0.000) 19.538 14.027 ( 8.704 13.725 0.000) 16.252 14.078 ( 9.558 3.861 0.000) 10.308 14.169 ( 6.928 -2.624 0.000) 7.408 14.249 ( 1.470 -5.607 0.000) 5.796 14.295 ( -3.663 15.946 0.000) 16.362 14.316 ( 3.824 2.934 0.000) 4.820 14.480 ( -5.859 -10.917 0.000) 12.390 14.641 ( -14.284 -16.383 0.000) 21.736 15.699 ( 4.404 12.053 0.000) 12.832 15.790 ( -1.783 11.627 0.000) 11.763 15.853 ( 5.590 5.887 0.000) 8.118 15.862 ( 2.210 -2.217 0.000) 3.130 16.701 ( 33.232 10.730 0.000) 34.921 16.894 ( 16.448 -4.869 0.000) 17.153 16.962 ( 7.225 23.367 0.000) 24.458 17.327 ( -21.294 -6.857 0.000) 22.371 17.567 ( -2.124 7.502 0.000) 7.797 17.731 ( -5.757 -6.079 0.000) 8.372 17.808 ( -4.888 -15.554 0.000) 16.304 17.829 ( -19.978 -11.840 0.000) 23.223 18.280 ( 14.156 -6.189 0.000) 15.450 18.308 ( 1.882 4.297 0.000) 4.691 18.346 ( -2.660 -11.352 0.000) 11.659 18.508 ( -6.445 -14.526 0.000) 15.892 21.161 ( 25.403 3.522 0.000) 25.646 21.226 ( 21.770 -2.750 0.000) 21.943 21.583 ( -13.822 2.435 0.000) 14.035 21.626 ( -14.979 -2.117 0.000) 15.127 ======================= Grid point 63 (21/120) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 0.000 0.000 33.921) 33.921 0.751 ( 0.000 0.000 37.144) 37.144 1.494 ( 0.000 0.000 72.575) 72.575 2.878 ( 0.000 0.000 3.133) 3.133 3.356 ( 0.000 0.000 -12.585) 12.585 3.546 ( 0.000 0.000 -0.595) 0.595 3.668 ( 0.000 0.000 -0.494) 0.494 3.942 ( 0.000 0.000 -3.986) 3.986 4.019 ( 0.000 0.000 -2.059) 2.059 4.227 ( 0.000 0.000 -6.561) 6.561 4.639 ( 0.000 0.000 -10.670) 10.670 4.902 ( 0.000 0.000 -2.328) 2.328 5.938 ( 0.000 0.000 3.806) 3.806 7.044 ( 0.000 0.000 21.454) 21.454 7.054 ( 0.000 0.000 3.632) 3.632 7.387 ( 0.000 0.000 6.759) 6.759 8.004 ( 0.000 0.000 8.338) 8.338 8.630 ( 0.000 0.000 -6.160) 6.160 8.772 ( 0.000 0.000 -6.578) 6.578 10.121 ( 0.000 0.000 -5.216) 5.216 10.232 ( 0.000 0.000 -5.708) 5.708 10.358 ( 0.000 0.000 -0.821) 0.821 10.650 ( 0.000 0.000 4.771) 4.771 10.826 ( 0.000 0.000 -10.765) 10.765 11.308 ( 0.000 0.000 -6.051) 6.051 11.462 ( 0.000 0.000 3.203) 3.203 11.517 ( 0.000 0.000 1.163) 1.163 11.858 ( 0.000 0.000 18.671) 18.671 12.088 ( 0.000 0.000 14.314) 14.314 12.359 ( 0.000 0.000 1.876) 1.876 12.767 ( 0.000 0.000 -0.755) 0.755 13.317 ( 0.000 0.000 -10.256) 10.256 13.465 ( 0.000 0.000 0.027) 0.027 13.473 ( 0.000 0.000 -2.265) 2.265 13.618 ( 0.000 0.000 4.060) 4.060 13.653 ( 0.000 0.000 8.963) 8.963 14.020 ( 0.000 0.000 5.250) 5.250 14.066 ( 0.000 0.000 -2.279) 2.279 14.125 ( 0.000 0.000 -4.287) 4.287 14.278 ( 0.000 0.000 -0.844) 0.844 14.517 ( 0.000 0.000 -5.697) 5.697 14.721 ( 0.000 0.000 10.634) 10.634 15.366 ( 0.000 0.000 27.775) 27.775 15.591 ( 0.000 0.000 10.636) 10.636 15.867 ( 0.000 0.000 -46.689) 46.689 16.048 ( 0.000 0.000 -2.114) 2.114 16.561 ( 0.000 0.000 -10.199) 10.199 16.747 ( 0.000 0.000 -3.463) 3.463 17.691 ( 0.000 0.000 13.492) 13.492 18.090 ( 0.000 0.000 -5.975) 5.975 18.187 ( 0.000 0.000 -19.137) 19.137 18.201 ( 0.000 0.000 27.967) 27.967 18.879 ( 0.000 0.000 5.190) 5.190 18.975 ( 0.000 0.000 -3.997) 3.997 19.452 ( 0.000 0.000 -1.681) 1.681 19.750 ( 0.000 0.000 3.021) 3.021 19.991 ( 0.000 0.000 -7.660) 7.660 20.258 ( 0.000 0.000 18.391) 18.391 20.857 ( 0.000 0.000 21.477) 21.477 21.492 ( 0.000 0.000 2.968) 2.968 ======================= Grid point 64 (22/120) ======================= q-point: ( 0.11 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 29.921 0.000 22.362) 37.354 1.163 ( 31.461 0.000 22.169) 38.487 1.807 ( 28.192 0.000 53.768) 60.711 2.905 ( 2.512 0.000 2.914) 3.847 3.384 ( 2.157 0.000 -11.622) 11.820 3.493 ( -2.676 0.000 -2.966) 3.995 3.754 ( 4.718 0.000 -0.946) 4.812 3.889 ( -4.887 0.000 -3.904) 6.255 4.039 ( 1.498 0.000 -0.892) 1.744 4.222 ( -0.135 0.000 -6.114) 6.115 4.522 ( -10.663 0.000 -9.319) 14.162 4.799 ( -9.218 0.000 -1.317) 9.311 6.004 ( 6.168 0.000 3.894) 7.294 6.763 ( -3.801 0.000 13.208) 13.744 7.079 ( 3.410 0.000 19.934) 20.224 7.920 ( 22.726 0.000 -4.647) 23.197 8.167 ( 13.946 0.000 6.515) 15.393 8.718 ( 8.736 0.000 -4.933) 10.032 8.764 ( -0.492 0.000 -3.357) 3.393 10.040 ( -6.870 0.000 -4.633) 8.287 10.080 ( -13.582 0.000 -3.882) 14.126 10.403 ( 0.917 0.000 -7.608) 7.663 10.663 ( 1.436 0.000 3.334) 3.630 10.883 ( 3.263 0.000 -7.622) 8.291 11.263 ( -12.310 0.000 -0.731) 12.331 11.340 ( 2.089 0.000 -6.195) 6.538 11.523 ( -3.762 0.000 7.304) 8.216 11.779 ( -6.493 0.000 17.541) 18.704 12.033 ( -5.032 0.000 13.000) 13.940 12.380 ( 1.771 0.000 -1.757) 2.495 12.867 ( 8.479 0.000 -0.325) 8.485 13.130 ( -7.739 0.000 2.208) 8.047 13.454 ( -0.873 0.000 -5.392) 5.462 13.467 ( 4.143 0.000 -6.038) 7.323 13.709 ( 7.482 0.000 7.778) 10.793 13.718 ( 6.564 0.000 9.404) 11.468 14.046 ( -7.607 0.000 -12.995) 15.058 14.231 ( 17.495 0.000 -4.413) 18.043 14.263 ( 0.153 0.000 0.951) 0.963 14.571 ( 3.440 0.000 -4.650) 5.784 14.700 ( 28.680 0.000 -21.963) 36.123 14.826 ( 11.249 0.000 15.804) 19.398 15.419 ( -4.516 0.000 7.790) 9.004 15.611 ( 9.043 0.000 13.925) 16.603 15.925 ( 10.060 0.000 -37.197) 38.533 16.038 ( -1.109 0.000 -1.147) 1.595 16.583 ( -5.762 0.000 -10.084) 11.615 16.759 ( 10.790 0.000 -7.988) 13.425 17.412 ( -7.672 0.000 23.033) 24.277 17.801 ( -19.179 0.000 -16.490) 25.294 18.292 ( 1.817 0.000 -5.465) 5.760 18.663 ( 26.863 0.000 6.823) 27.716 18.976 ( -0.008 0.000 -2.375) 2.375 19.083 ( 14.592 0.000 9.819) 17.588 19.442 ( -0.989 0.000 -1.192) 1.549 19.623 ( -9.886 0.000 7.663) 12.508 19.941 ( -6.297 0.000 -7.388) 9.707 20.340 ( 7.775 0.000 13.903) 15.929 21.013 ( 14.818 0.000 9.313) 17.502 21.515 ( 1.926 0.000 1.928) 2.725 ======================= Grid point 65 (23/120) ======================= q-point: ( 0.22 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 25.797 0.000 19.683) 32.448 1.856 ( 32.548 0.000 10.578) 34.223 2.505 ( 33.650 0.000 24.135) 41.410 2.975 ( 3.886 0.000 2.352) 4.542 3.389 ( -4.023 0.000 -5.237) 6.603 3.465 ( 1.703 0.000 -7.895) 8.077 3.755 ( -7.421 0.000 -3.658) 8.273 3.846 ( 4.080 0.000 -2.597) 4.836 4.033 ( -2.764 0.000 0.843) 2.889 4.211 ( -2.150 0.000 -5.878) 6.258 4.230 ( -16.247 0.000 -6.830) 17.624 4.589 ( -8.421 0.000 2.716) 8.848 6.186 ( 11.039 0.000 4.316) 11.853 6.911 ( 15.524 0.000 5.178) 16.365 7.173 ( 4.814 0.000 17.554) 18.202 8.279 ( 14.814 0.000 2.787) 15.074 8.462 ( 11.174 0.000 -0.828) 11.205 8.761 ( 0.116 0.000 3.145) 3.147 9.042 ( 23.388 0.000 -0.431) 23.392 9.718 ( -19.740 0.000 0.347) 19.743 9.887 ( -6.485 0.000 -3.733) 7.482 10.373 ( -3.126 0.000 -10.065) 10.539 10.719 ( -17.967 0.000 -9.861) 20.495 10.721 ( 4.304 0.000 0.662) 4.355 11.117 ( -5.292 0.000 3.765) 6.494 11.356 ( -1.306 0.000 -6.288) 6.422 11.431 ( -1.550 0.000 7.896) 8.047 11.605 ( -9.667 0.000 15.200) 18.014 11.878 ( -9.992 0.000 9.406) 13.722 12.345 ( -7.196 0.000 0.058) 7.197 13.058 ( 8.396 0.000 -1.862) 8.600 13.129 ( 7.809 0.000 -3.745) 8.661 13.443 ( -0.536 0.000 -9.319) 9.335 13.570 ( 5.230 0.000 -5.464) 7.564 13.843 ( -6.385 0.000 -10.447) 12.244 13.919 ( 12.957 0.000 -2.041) 13.117 13.931 ( 10.491 0.000 8.661) 13.604 14.258 ( -2.882 0.000 2.126) 3.581 14.676 ( 8.470 0.000 -5.405) 10.048 14.699 ( 23.136 0.000 -3.027) 23.333 15.000 ( 6.261 0.000 -9.101) 11.046 15.202 ( 23.818 0.000 18.618) 30.231 15.303 ( -3.068 0.000 9.362) 9.852 15.604 ( -7.245 0.000 -18.075) 19.473 15.913 ( -15.451 0.000 -2.764) 15.696 15.995 ( -2.901 0.000 0.696) 2.983 16.811 ( 16.036 0.000 -4.642) 16.694 17.183 ( 33.548 0.000 -11.447) 35.447 17.349 ( -23.416 0.000 -18.187) 29.649 17.525 ( 17.243 0.000 14.336) 22.424 18.206 ( -10.595 0.000 2.966) 11.002 18.987 ( 1.599 0.000 0.365) 1.640 19.129 ( -10.518 0.000 -3.185) 10.989 19.196 ( 17.887 0.000 16.204) 24.136 19.408 ( -2.271 0.000 -0.031) 2.272 19.557 ( 7.183 0.000 15.808) 17.364 19.721 ( -11.013 0.000 -14.454) 18.172 20.572 ( 13.824 0.000 5.405) 14.843 21.418 ( 20.901 0.000 -6.530) 21.898 21.554 ( 1.190 0.000 -0.424) 1.264 ======================= Grid point 66 (24/120) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 22.625 0.000 12.907) 26.048 2.467 ( 25.147 0.000 4.391) 25.527 3.053 ( 3.144 0.000 1.684) 3.567 3.065 ( 15.946 0.000 4.223) 16.496 3.270 ( -4.163 0.000 1.894) 4.574 3.510 ( 1.415 0.000 -9.378) 9.484 3.603 ( -6.491 0.000 -3.277) 7.272 3.857 ( -4.489 0.000 -2.352) 5.068 3.887 ( -15.577 0.000 -4.902) 16.330 3.998 ( 1.450 0.000 2.916) 3.257 4.133 ( -2.678 0.000 -5.603) 6.210 4.476 ( -3.993 0.000 8.093) 9.025 6.461 ( 15.054 0.000 5.186) 15.922 7.231 ( -0.651 0.000 14.675) 14.690 7.344 ( 24.616 0.000 0.869) 24.631 8.561 ( 5.980 0.000 -5.937) 8.427 8.621 ( 5.475 0.000 -4.115) 6.849 8.792 ( 8.087 0.000 17.212) 19.017 9.304 ( -18.748 0.000 4.816) 19.356 9.649 ( 32.306 0.000 -0.589) 32.312 9.788 ( -3.826 0.000 -3.211) 4.995 10.257 ( -10.112 0.000 -12.884) 16.379 10.348 ( -12.941 0.000 -15.616) 20.282 10.846 ( 7.422 0.000 -1.577) 7.588 10.941 ( -8.111 0.000 12.451) 14.860 11.258 ( -8.670 0.000 -5.111) 10.064 11.326 ( -11.900 0.000 13.385) 17.910 11.538 ( 5.062 0.000 6.074) 7.907 11.617 ( -14.323 0.000 2.393) 14.521 12.119 ( -12.405 0.000 2.757) 12.708 13.193 ( 4.677 0.000 -6.077) 7.669 13.380 ( 13.750 0.000 -8.780) 16.314 13.414 ( -2.469 0.000 -10.601) 10.885 13.676 ( 4.494 0.000 -8.915) 9.984 13.732 ( -1.862 0.000 -3.549) 4.008 14.121 ( -8.550 0.000 5.067) 9.939 14.235 ( 16.576 0.000 -6.859) 17.939 14.262 ( 18.315 0.000 9.379) 20.577 14.898 ( 9.829 0.000 -2.531) 10.150 15.038 ( 1.712 0.000 -4.542) 4.854 15.052 ( 5.130 0.000 -1.576) 5.366 15.351 ( 5.122 0.000 0.273) 5.130 15.405 ( -9.170 0.000 -8.801) 12.710 15.587 ( -13.442 0.000 5.064) 14.364 15.722 ( 18.198 0.000 8.421) 20.052 16.002 ( 11.720 0.000 7.382) 13.851 16.847 ( -23.880 0.000 -16.585) 29.074 17.113 ( 17.256 0.000 -2.364) 17.417 17.783 ( 21.938 0.000 0.942) 21.958 17.854 ( -22.483 0.000 8.823) 24.153 18.085 ( 29.844 0.000 4.999) 30.260 18.742 ( -20.630 0.000 1.963) 20.723 19.050 ( 4.220 0.000 1.500) 4.478 19.288 ( -20.978 0.000 1.746) 21.051 19.307 ( -6.191 0.000 28.027) 28.703 19.345 ( -3.724 0.000 0.965) 3.847 20.220 ( 41.517 0.000 -22.034) 47.002 20.888 ( 15.654 0.000 -0.652) 15.667 21.542 ( -2.727 0.000 -2.684) 3.826 21.744 ( 7.485 0.000 -13.133) 15.116 ======================= Grid point 67 (25/120) ======================= q-point: ( 0.44 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( 18.545 0.000 6.727) 19.727 2.886 ( 14.625 0.000 1.200) 14.674 2.984 ( -13.009 0.000 1.450) 13.090 3.070 ( -2.989 0.000 0.991) 3.149 3.401 ( 7.000 0.000 -1.307) 7.121 3.495 ( -2.788 0.000 -7.443) 7.948 3.518 ( -0.423 0.000 -3.014) 3.043 3.616 ( -9.492 0.000 -3.524) 10.125 3.820 ( 2.828 0.000 -4.699) 5.484 3.933 ( -6.272 0.000 -5.328) 8.230 4.214 ( 7.704 0.000 8.248) 11.287 4.370 ( -6.506 0.000 10.366) 12.238 6.800 ( 16.655 0.000 6.726) 17.962 7.107 ( -11.279 0.000 10.087) 15.132 7.889 ( 26.240 0.000 0.497) 26.244 8.377 ( -18.625 0.000 0.064) 18.625 8.748 ( 7.742 0.000 0.115) 7.743 8.966 ( -13.279 0.000 5.309) 14.301 9.179 ( 22.687 0.000 6.892) 23.710 9.611 ( -15.977 0.000 -1.875) 16.086 10.084 ( -1.007 0.000 -16.632) 16.662 10.168 ( -6.891 0.000 -12.588) 14.351 10.319 ( 30.547 0.000 -3.809) 30.784 10.862 ( -17.606 0.000 -4.600) 18.197 10.888 ( 3.770 0.000 13.955) 14.455 11.065 ( -11.739 0.000 13.706) 18.046 11.111 ( 5.968 0.000 -2.497) 6.470 11.331 ( -12.383 0.000 -2.249) 12.585 11.679 ( 8.006 0.000 4.728) 9.298 11.874 ( -10.640 0.000 3.851) 11.315 13.273 ( 3.482 0.000 -8.667) 9.340 13.347 ( -3.569 0.000 -9.608) 10.249 13.630 ( 8.934 0.000 -12.340) 15.234 13.727 ( -0.477 0.000 -12.518) 12.527 13.772 ( 5.220 0.000 3.291) 6.171 13.927 ( -9.036 0.000 5.393) 10.523 14.588 ( 16.752 0.000 -7.759) 18.462 14.660 ( 18.144 0.000 7.646) 19.689 14.902 ( -11.886 0.000 -8.795) 14.786 14.946 ( -6.990 0.000 4.895) 8.533 15.131 ( 2.070 0.000 -0.262) 2.086 15.231 ( -7.007 0.000 -5.793) 9.092 15.405 ( 1.011 0.000 2.151) 2.377 15.450 ( -1.350 0.000 12.505) 12.577 15.941 ( 13.106 0.000 -8.730) 15.748 16.300 ( -16.031 0.000 -10.275) 19.041 16.639 ( 27.488 0.000 11.508) 29.800 17.294 ( -30.350 0.000 12.402) 32.786 17.563 ( 24.494 0.000 -3.145) 24.695 18.023 ( -11.564 0.000 -3.003) 11.948 18.419 ( 10.650 0.000 3.294) 11.148 18.677 ( 18.550 0.000 14.248) 23.391 18.831 ( -20.806 0.000 0.396) 20.810 19.068 ( -15.525 0.000 18.711) 24.313 19.150 ( 5.115 0.000 1.706) 5.392 19.255 ( -4.783 0.000 1.504) 5.014 21.086 ( 37.182 0.000 -18.568) 41.560 21.197 ( 13.366 0.000 -3.425) 13.798 21.427 ( -8.354 0.000 -3.875) 9.209 21.660 ( -16.194 0.000 -16.033) 22.789 ======================= Grid point 72 (26/120) ======================= q-point: ( 0.00 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 0.000 32.510 20.125) 38.235 1.218 ( 0.000 32.245 25.540) 41.135 1.839 ( 0.000 33.019 51.102) 60.841 2.891 ( 0.000 0.720 2.656) 2.752 3.340 ( 0.000 -1.122 -10.629) 10.688 3.477 ( 0.000 -6.902 -0.582) 6.926 3.636 ( 0.000 -3.137 -1.717) 3.576 3.905 ( 0.000 -3.730 -4.177) 5.600 4.061 ( 0.000 4.286 -2.511) 4.968 4.177 ( 0.000 -4.358 -5.212) 6.793 4.593 ( 0.000 -4.510 -10.258) 11.206 4.856 ( 0.000 -4.558 -2.436) 5.168 6.258 ( 0.000 25.808 -2.074) 25.891 6.786 ( 0.000 -15.571 12.435) 19.927 7.031 ( 0.000 -1.564 21.108) 21.166 7.395 ( 0.000 0.796 7.023) 7.068 7.938 ( 0.000 -5.851 9.840) 11.448 8.584 ( 0.000 -4.955 -6.859) 8.462 8.791 ( 0.000 1.721 -4.877) 5.172 10.026 ( 0.000 -10.761 -4.742) 11.759 10.124 ( 0.000 -12.853 -1.458) 12.936 10.379 ( 0.000 8.717 -2.257) 9.005 10.749 ( 0.000 -7.083 -11.303) 13.339 10.831 ( 0.000 14.581 1.934) 14.709 11.063 ( 0.000 -16.828 -2.855) 17.068 11.324 ( 0.000 -8.691 7.601) 11.545 11.529 ( 0.000 -4.764 12.686) 13.551 11.940 ( 0.000 9.469 4.658) 10.552 12.269 ( 0.000 13.392 8.932) 16.097 12.388 ( 0.000 3.329 2.835) 4.372 12.844 ( 0.000 3.059 2.350) 3.857 13.324 ( 0.000 0.438 -8.522) 8.533 13.340 ( 0.000 -9.373 13.719) 16.615 13.452 ( 0.000 -1.409 0.657) 1.555 13.648 ( 0.000 0.739 6.333) 6.376 13.693 ( 0.000 6.232 5.421) 8.260 13.917 ( 0.000 -9.915 -6.389) 11.796 14.092 ( 0.000 9.727 -4.142) 10.572 14.160 ( 0.000 2.894 -5.728) 6.417 14.370 ( 0.000 4.484 8.085) 9.246 14.717 ( 0.000 -0.054 12.618) 12.618 14.745 ( 0.000 13.574 -13.789) 19.350 15.390 ( 0.000 2.773 24.990) 25.144 15.572 ( 0.000 0.472 7.718) 7.733 15.837 ( 0.000 -2.917 -45.375) 45.469 16.114 ( 0.000 8.289 -4.427) 9.397 16.584 ( 0.000 2.273 -9.901) 10.159 16.821 ( 0.000 6.458 -4.274) 7.745 17.689 ( 0.000 0.733 16.431) 16.447 18.013 ( 0.000 -15.083 12.967) 19.890 18.132 ( 0.000 4.040 -6.447) 7.608 18.269 ( 0.000 2.196 1.378) 2.592 18.637 ( 0.000 -15.701 -11.484) 19.452 18.999 ( 0.000 -2.533 9.975) 10.291 19.436 ( 0.000 -3.163 -6.637) 7.352 19.725 ( 0.000 -21.877 -0.911) 21.896 19.760 ( 0.000 1.856 7.486) 7.713 20.335 ( 0.000 3.092 12.637) 13.009 20.979 ( 0.000 10.813 17.496) 20.568 21.509 ( 0.000 1.415 3.196) 3.495 ======================= Grid point 73 (27/120) ======================= q-point: ( 0.11 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 19.499 19.250 18.599) 33.116 1.490 ( 17.763 20.923 28.110) 39.287 2.166 ( 26.870 30.845 32.648) 52.338 2.907 ( 1.426 -0.308 2.413) 2.820 3.364 ( 2.121 -1.557 -10.013) 10.352 3.454 ( -1.588 -4.152 -2.035) 4.889 3.688 ( 3.451 -6.056 -1.963) 7.242 3.852 ( -4.861 -3.815 -3.526) 7.115 4.070 ( 0.269 3.145 -1.884) 3.676 4.167 ( -0.805 -4.774 -4.946) 6.922 4.497 ( -8.549 -2.597 -8.847) 12.573 4.751 ( -9.222 -4.488 -1.561) 10.374 6.299 ( 3.924 25.146 -0.825) 25.464 6.716 ( 1.612 -3.555 11.007) 11.679 7.072 ( 3.921 -1.104 19.567) 19.986 7.729 ( 20.685 -11.320 2.959) 23.765 8.120 ( 16.180 -4.547 9.832) 19.472 8.619 ( 2.715 -7.117 -5.819) 9.585 8.830 ( 4.391 3.286 -2.333) 5.960 9.990 ( -4.853 -4.785 -3.949) 7.877 10.109 ( -6.603 -4.696 -6.729) 10.532 10.240 ( -4.505 -7.032 -0.720) 8.382 10.793 ( 1.211 -2.247 -6.102) 6.614 10.813 ( -1.529 7.813 1.258) 8.060 11.127 ( 3.658 -13.775 -3.552) 14.689 11.216 ( -8.602 -3.480 2.651) 9.650 11.461 ( -4.399 -7.700 13.740) 16.354 11.861 ( -7.352 9.366 5.434) 13.088 12.274 ( -2.746 16.085 9.852) 19.061 12.408 ( 1.843 3.176 -1.252) 3.879 12.913 ( 7.082 1.696 0.665) 7.313 13.148 ( -4.241 1.624 3.269) 5.595 13.366 ( 0.895 -4.834 2.909) 5.713 13.501 ( 3.581 2.190 -5.979) 7.306 13.715 ( 3.642 5.491 5.575) 8.631 13.820 ( -4.280 -3.347 -12.985) 14.076 14.030 ( 18.044 1.188 3.944) 18.508 14.184 ( 1.617 -2.333 -5.074) 5.814 14.314 ( 12.910 3.636 -3.713) 13.917 14.596 ( 19.106 2.460 4.984) 19.898 14.701 ( 2.943 0.965 -4.538) 5.494 14.856 ( 9.390 3.288 5.610) 11.422 15.482 ( 0.310 7.251 7.499) 10.436 15.572 ( 8.239 -1.699 19.316) 21.068 15.833 ( 1.756 -6.183 -34.581) 35.173 16.073 ( -0.558 4.249 -5.396) 6.891 16.575 ( -13.472 0.161 -9.220) 16.326 16.772 ( 9.410 1.655 -5.976) 11.269 17.478 ( -3.536 7.380 24.605) 25.930 17.847 ( -17.337 4.143 -15.978) 23.938 18.278 ( 4.801 -4.237 -1.580) 6.595 18.547 ( 18.088 -9.060 8.025) 21.764 18.709 ( 4.790 -17.272 -6.516) 19.072 19.073 ( 7.338 -5.250 17.929) 20.071 19.402 ( -4.471 -5.089 -4.746) 8.271 19.656 ( -4.272 -7.966 -3.724) 9.776 19.736 ( -2.704 -6.751 8.387) 11.101 20.384 ( 5.081 1.872 11.448) 12.664 21.116 ( 12.925 9.264 8.129) 17.860 21.536 ( 2.298 1.844 2.083) 3.608 ======================= Grid point 74 (28/120) ======================= q-point: ( 0.22 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 28.380 5.411 10.982) 30.908 1.900 ( 21.395 8.742 22.645) 32.357 2.760 ( 26.429 19.818 13.337) 35.625 2.949 ( 2.483 -2.717 1.577) 4.004 3.386 ( -3.473 -0.404 -2.980) 4.594 3.427 ( 1.848 -3.529 -7.603) 8.584 3.710 ( -6.796 -3.815 -2.933) 8.327 3.762 ( 1.645 -9.096 -1.941) 9.445 4.035 ( -4.013 -0.270 -1.849) 4.426 4.121 ( -4.965 -3.602 -3.716) 7.172 4.290 ( -9.560 2.084 -5.991) 11.473 4.537 ( -9.105 -4.751 1.740) 10.416 6.434 ( 9.203 22.591 1.693) 24.452 6.916 ( 16.287 1.046 4.874) 17.032 7.188 ( 6.590 0.898 17.352) 18.583 8.127 ( 18.279 -10.244 2.571) 21.111 8.467 ( 12.386 -0.545 1.265) 12.463 8.680 ( 3.309 -7.112 4.141) 8.870 9.049 ( 18.904 -0.093 0.455) 18.910 9.728 ( -18.277 0.994 -1.232) 18.345 9.943 ( -5.919 3.312 -3.444) 7.607 10.247 ( 1.080 -11.674 -6.835) 13.571 10.670 ( -13.698 -3.320 -5.415) 15.099 10.799 ( 1.097 5.941 0.586) 6.070 11.013 ( -9.530 -6.588 1.631) 11.699 11.199 ( 3.333 -9.106 -1.345) 9.790 11.403 ( -2.299 -6.875 9.066) 11.608 11.661 ( -10.927 7.831 4.899) 14.308 12.124 ( -10.322 17.546 8.818) 22.185 12.373 ( -7.329 3.156 0.939) 8.035 13.051 ( 7.114 -4.379 -3.575) 9.086 13.251 ( 9.949 12.857 -2.842) 16.503 13.414 ( 3.468 -6.476 -3.484) 8.130 13.504 ( -3.943 -0.027 -11.923) 12.558 13.757 ( 3.330 -2.201 -10.028) 10.794 13.871 ( 7.999 0.382 7.315) 10.846 14.121 ( 0.441 -0.467 -0.587) 0.870 14.417 ( 10.921 19.489 2.645) 22.496 14.602 ( 3.439 -6.931 -0.039) 7.738 14.730 ( 18.103 1.504 -6.442) 19.274 15.014 ( 10.077 1.920 -7.226) 12.548 15.131 ( 18.345 -2.993 12.694) 22.508 15.485 ( 4.274 13.496 5.946) 15.354 15.576 ( -6.409 -0.738 -11.403) 13.101 15.857 ( -9.952 -4.370 4.784) 11.875 16.034 ( -4.143 2.819 -6.258) 8.017 16.688 ( 20.812 -11.633 -2.580) 23.982 17.105 ( 28.401 -4.127 -6.582) 29.445 17.424 ( -18.262 7.062 -16.233) 25.434 17.615 ( 11.300 9.946 16.138) 22.069 18.240 ( -8.958 2.813 3.265) 9.940 18.703 ( 0.564 -23.054 0.747) 23.073 18.894 ( 9.907 -20.712 -0.066) 22.960 19.114 ( -11.544 -5.033 2.758) 12.891 19.303 ( 1.225 -8.884 24.106) 25.720 19.538 ( -11.093 -16.350 -5.449) 20.495 19.768 ( 11.717 12.436 0.903) 17.110 20.570 ( 12.651 -0.686 5.275) 13.724 21.466 ( 17.887 4.459 -5.277) 19.175 21.583 ( 1.538 2.693 -0.422) 3.130 ======================= Grid point 75 (29/120) ======================= q-point: ( 0.33 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 20.263 5.305 11.503) 23.897 2.388 ( 23.221 -4.857 7.500) 24.880 2.993 ( 1.298 -5.166 -0.463) 5.346 3.154 ( 5.590 4.195 -1.624) 7.175 3.297 ( 0.238 2.402 3.839) 4.535 3.467 ( 0.500 -4.012 -9.636) 10.449 3.565 ( -5.157 -2.683 -0.174) 5.816 3.731 ( -6.090 -10.250 -0.792) 11.949 3.915 ( -6.029 1.079 -2.688) 6.689 4.033 ( -1.064 2.399 -0.074) 2.626 4.127 ( -5.347 0.331 -4.777) 7.177 4.403 ( -5.001 -6.561 6.522) 10.517 6.681 ( 14.048 20.766 3.607) 25.330 7.293 ( 4.704 5.010 13.698) 15.325 7.356 ( 22.031 1.776 3.351) 22.355 8.464 ( 7.599 -7.356 -5.137) 11.758 8.590 ( 4.269 -2.700 -3.256) 6.009 8.809 ( 11.581 1.806 15.044) 19.071 9.331 ( -18.143 2.297 3.780) 18.674 9.577 ( 26.354 -6.940 -0.870) 27.266 9.849 ( -2.353 4.740 -2.400) 5.811 10.238 ( -4.149 -2.313 -11.294) 12.252 10.338 ( -13.080 -0.231 -13.782) 19.002 10.785 ( -4.549 -7.392 5.811) 10.445 10.922 ( 3.965 1.172 5.081) 6.551 11.199 ( -6.522 -4.494 2.428) 8.284 11.342 ( -1.621 -10.207 3.704) 10.979 11.425 ( -12.220 7.039 2.033) 14.248 11.900 ( -9.416 17.803 4.394) 20.613 12.141 ( -12.609 2.676 3.646) 13.396 13.217 ( 6.058 -6.336 -7.435) 11.494 13.354 ( -1.000 -2.359 -15.411) 15.622 13.457 ( 3.957 5.686 -2.031) 7.219 13.511 ( 3.569 -0.051 -8.346) 9.077 13.857 ( 5.598 4.497 -0.958) 7.244 14.102 ( 11.981 -5.283 3.143) 13.466 14.134 ( 1.449 0.442 3.247) 3.584 14.582 ( 6.609 11.871 -3.744) 14.093 14.676 ( 4.035 -4.412 -0.095) 5.979 15.009 ( 4.659 -3.053 -1.263) 5.712 15.229 ( 9.964 7.171 -8.053) 14.682 15.385 ( -3.456 0.879 -4.458) 5.709 15.423 ( 1.733 6.371 -7.699) 10.142 15.531 ( -10.258 -1.182 7.127) 12.546 15.833 ( 17.404 8.569 13.969) 23.905 16.082 ( 12.408 7.230 4.931) 15.184 16.857 ( -10.614 -1.124 -10.373) 14.883 17.147 ( 5.802 5.032 -8.270) 11.286 17.767 ( 18.306 -2.770 0.418) 18.519 17.898 ( -13.800 4.267 8.245) 16.632 18.041 ( 22.936 -1.695 9.235) 24.783 18.624 ( -13.344 -13.013 3.064) 18.889 18.845 ( -4.584 -16.123 3.428) 17.109 18.993 ( -3.242 -24.042 0.453) 24.264 19.252 ( -12.350 -12.153 -1.589) 17.400 19.289 ( -4.788 -4.524 24.717) 25.580 20.263 ( 34.287 5.487 -11.434) 36.557 20.882 ( 16.283 -0.883 -0.760) 16.324 21.574 ( -2.935 2.958 -2.758) 4.997 21.737 ( 5.427 -0.473 -11.476) 12.703 ======================= Grid point 76 (30/120) ======================= q-point: ( 0.44 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( 15.740 -0.127 6.478) 17.021 2.779 ( 12.329 -8.605 2.515) 15.244 2.952 ( -5.844 -3.806 -1.630) 7.162 3.037 ( -8.369 -3.170 0.517) 8.964 3.385 ( 2.875 -3.102 -2.978) 5.173 3.443 ( -1.883 -3.463 -4.776) 6.192 3.532 ( 0.728 0.044 -1.527) 1.692 3.589 ( -5.240 -2.310 -0.784) 5.780 3.861 ( 1.521 3.117 -4.350) 5.563 3.949 ( -5.752 1.345 -5.068) 7.783 4.159 ( 5.775 -3.891 6.466) 9.502 4.289 ( -6.057 -6.937 8.455) 12.502 6.994 ( 14.913 18.244 6.145) 24.351 7.248 ( -7.986 12.966 10.730) 18.629 7.872 ( 24.481 -1.488 1.556) 24.575 8.314 ( -16.269 -5.448 0.073) 17.157 8.750 ( 8.780 0.296 0.060) 8.785 8.987 ( -14.096 2.035 4.917) 15.067 9.207 ( 23.020 3.354 4.935) 23.781 9.640 ( -15.224 2.486 -4.036) 15.945 10.024 ( 4.129 -9.478 -5.007) 11.487 10.050 ( -4.200 -3.253 -15.009) 15.922 10.411 ( 18.551 5.037 -7.615) 20.676 10.739 ( -3.579 -6.191 3.882) 8.137 10.935 ( -4.682 -1.335 9.207) 10.415 11.108 ( -13.308 2.693 4.486) 14.299 11.133 ( 3.978 0.582 -1.340) 4.238 11.285 ( -5.733 -4.177 -0.005) 7.094 11.804 ( 0.874 12.034 3.405) 12.537 11.911 ( -8.605 4.680 3.711) 10.475 13.279 ( 1.744 -4.654 -9.649) 10.853 13.321 ( -1.984 -5.981 -10.332) 12.102 13.546 ( 2.946 1.489 -4.195) 5.338 13.566 ( 1.115 -1.878 -6.622) 6.973 13.986 ( 6.454 10.121 -0.802) 12.030 14.092 ( -3.155 9.592 1.963) 10.287 14.412 ( 13.795 -8.403 -1.241) 16.200 14.619 ( -4.770 -15.312 0.891) 16.063 14.791 ( 7.867 0.704 -4.893) 9.291 14.987 ( -7.409 1.747 -4.293) 8.739 15.215 ( -3.616 -2.728 -5.406) 7.053 15.267 ( -4.506 5.796 -3.054) 7.951 15.452 ( 6.634 9.344 7.153) 13.509 15.551 ( -1.177 12.815 8.150) 15.232 16.094 ( 13.919 12.762 -6.690) 20.034 16.436 ( -13.326 12.018 -8.758) 19.968 16.679 ( 26.456 3.944 11.559) 29.139 17.325 ( -29.262 2.818 11.684) 31.634 17.528 ( 22.692 -3.135 -3.562) 23.183 17.984 ( -13.232 -3.924 -3.187) 14.164 18.352 ( 9.269 -6.384 4.618) 12.166 18.561 ( 10.435 -11.577 14.156) 21.055 18.721 ( -9.609 -10.919 0.874) 14.571 18.847 ( -5.691 -15.397 7.470) 18.034 19.114 ( -1.803 -14.267 2.551) 14.605 19.159 ( -5.885 -4.903 10.523) 13.015 21.033 ( 34.104 -2.633 -12.900) 36.557 21.219 ( 15.882 1.014 -4.496) 16.537 21.444 ( -9.772 1.620 -4.189) 10.755 21.627 ( -16.313 -2.585 -13.358) 21.242 ======================= Grid point 81 (31/120) ======================= q-point: ( 0.00 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 0.000 34.701 10.299) 36.197 1.803 ( 0.000 27.406 23.520) 36.114 2.577 ( 0.000 36.007 17.842) 40.185 2.858 ( 0.000 -5.435 2.317) 5.908 3.274 ( 0.000 -13.810 0.027) 13.810 3.344 ( 0.000 2.015 -6.481) 6.787 3.553 ( 0.000 -4.747 -3.785) 6.071 3.807 ( 0.000 -5.837 -2.817) 6.481 4.084 ( 0.000 -3.924 -4.457) 5.938 4.184 ( 0.000 7.942 -3.252) 8.582 4.468 ( 0.000 -8.060 -8.941) 12.038 4.731 ( 0.000 -7.885 -2.676) 8.327 6.607 ( 0.000 -2.635 4.243) 4.995 6.806 ( 0.000 28.116 0.201) 28.117 6.970 ( 0.000 -4.965 18.832) 19.475 7.417 ( 0.000 1.340 7.495) 7.614 7.821 ( 0.000 -4.917 13.641) 14.500 8.415 ( 0.000 -12.801 -6.621) 14.411 8.841 ( 0.000 3.785 -2.367) 4.464 9.626 ( 0.000 -23.950 -0.677) 23.960 10.005 ( 0.000 -1.206 2.128) 2.446 10.545 ( 0.000 -14.069 -8.948) 16.674 10.563 ( 0.000 7.493 -8.113) 11.044 10.793 ( 0.000 -8.636 -3.383) 9.275 11.164 ( 0.000 12.473 1.784) 12.600 11.244 ( 0.000 7.598 9.126) 11.875 11.397 ( 0.000 -7.223 15.638) 17.225 12.097 ( 0.000 3.949 -1.676) 4.290 12.469 ( 0.000 7.306 3.552) 8.124 12.548 ( 0.000 12.013 6.036) 13.444 12.846 ( 0.000 -2.418 3.918) 4.604 13.166 ( 0.000 -8.512 15.989) 18.113 13.324 ( 0.000 -0.434 -5.240) 5.258 13.425 ( 0.000 -2.224 -1.636) 2.762 13.668 ( 0.000 1.164 3.380) 3.575 13.725 ( 0.000 -7.506 -8.520) 11.355 13.857 ( 0.000 9.683 5.332) 11.054 14.210 ( 0.000 1.709 -8.400) 8.572 14.257 ( 0.000 4.421 -13.294) 14.010 14.374 ( 0.000 -4.608 15.469) 16.141 14.739 ( 0.000 2.658 17.274) 17.477 14.953 ( 0.000 5.592 4.435) 7.137 15.436 ( 0.000 2.973 2.477) 3.870 15.748 ( 0.000 18.241 4.453) 18.776 15.761 ( 0.000 -4.592 -41.586) 41.839 16.439 ( 0.000 24.766 2.787) 24.922 16.647 ( 0.000 3.982 -8.784) 9.644 16.928 ( 0.000 3.453 -12.501) 12.969 17.555 ( 0.000 -30.404 10.611) 32.202 17.776 ( 0.000 9.176 23.341) 25.080 18.164 ( 0.000 -14.430 16.983) 22.286 18.241 ( 0.000 6.877 -7.392) 10.096 18.479 ( 0.000 -0.448 -19.337) 19.343 18.895 ( 0.000 -6.820 4.821) 8.352 19.227 ( 0.000 -26.404 3.292) 26.608 19.314 ( 0.000 -8.709 -11.095) 14.105 19.843 ( 0.000 6.530 13.082) 14.622 20.326 ( 0.000 -4.031 12.888) 13.504 21.213 ( 0.000 11.684 11.606) 16.469 21.532 ( 0.000 0.472 3.928) 3.956 ======================= Grid point 82 (32/120) ======================= q-point: ( 0.11 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 4.912 30.905 11.048) 33.186 1.939 ( 9.190 24.056 23.736) 35.022 2.777 ( 14.893 25.439 9.576) 30.994 2.863 ( 0.893 -3.728 2.870) 4.789 3.305 ( 2.429 -11.363 -0.691) 11.640 3.348 ( 0.421 -0.643 -6.115) 6.163 3.544 ( -1.145 -7.135 -3.175) 7.893 3.756 ( -4.603 -5.300 -1.874) 7.266 4.067 ( -1.537 -2.886 -4.730) 5.750 4.172 ( -1.258 6.181 -2.301) 6.715 4.419 ( -4.341 -5.393 -7.698) 10.353 4.634 ( -8.591 -7.139 -2.085) 11.363 6.655 ( 5.551 1.570 0.556) 5.796 6.880 ( 6.914 28.516 3.182) 29.514 7.021 ( 4.868 -4.167 16.820) 17.999 7.609 ( 16.086 -1.340 6.401) 17.365 8.018 ( 17.752 -5.116 14.041) 23.204 8.436 ( 1.834 -12.004 -5.395) 13.287 8.885 ( 4.087 2.887 -0.822) 5.071 9.669 ( 3.933 -24.558 -1.839) 24.939 9.995 ( -1.938 -0.770 1.741) 2.716 10.224 ( -15.554 -2.068 -4.756) 16.396 10.714 ( 1.476 -2.589 -7.962) 8.501 10.860 ( 3.108 -9.780 -5.102) 11.460 11.130 ( -1.090 12.782 -0.168) 12.829 11.188 ( -6.547 5.872 8.854) 12.479 11.324 ( -4.646 -5.008 12.884) 14.583 12.008 ( -8.615 3.810 2.219) 9.677 12.498 ( 1.924 6.615 -1.002) 6.962 12.577 ( 0.367 13.434 5.776) 14.627 12.890 ( 2.333 -3.569 0.716) 4.324 13.157 ( 5.152 -1.918 7.482) 9.284 13.312 ( -0.384 -0.610 -0.163) 0.739 13.493 ( 0.046 -4.855 -8.633) 9.904 13.722 ( 3.856 -0.683 -7.689) 8.628 13.843 ( 7.090 2.438 -2.256) 7.830 13.992 ( 12.491 0.071 6.931) 14.286 14.183 ( 4.442 1.247 -3.661) 5.890 14.381 ( 7.151 -0.011 -6.665) 9.776 14.543 ( 16.295 -7.019 10.485) 20.609 14.779 ( 4.900 5.691 13.962) 15.854 14.952 ( 1.244 4.510 6.549) 8.048 15.545 ( 10.080 0.483 5.080) 11.298 15.730 ( -2.649 -2.027 -34.404) 34.566 15.772 ( 2.117 18.030 3.467) 18.482 16.243 ( -7.240 12.330 1.922) 14.427 16.572 ( -22.587 -1.412 -6.368) 23.510 16.881 ( 12.353 12.787 -8.951) 19.906 17.681 ( 7.246 5.915 22.280) 24.164 17.830 ( -0.748 -11.965 -3.339) 12.445 18.083 ( -7.338 -1.286 -3.955) 8.434 18.302 ( 9.404 -14.667 6.714) 18.672 18.597 ( 5.193 2.744 -7.890) 9.836 18.902 ( 1.337 -10.488 15.827) 19.034 19.171 ( -5.955 -25.181 -2.764) 26.022 19.275 ( -3.417 -12.217 -5.717) 13.914 19.852 ( 2.297 8.843 11.034) 14.325 20.364 ( 4.085 -4.051 11.200) 12.591 21.319 ( 9.672 10.121 6.026) 15.241 21.571 ( 3.318 1.205 2.526) 4.341 ======================= Grid point 83 (33/120) ======================= q-point: ( 0.22 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 16.370 17.341 8.466) 25.305 2.168 ( 12.288 16.822 19.744) 28.701 2.863 ( 0.366 -6.243 1.255) 6.379 3.086 ( 10.856 10.305 -1.233) 15.019 3.327 ( -1.236 -5.377 -3.534) 6.552 3.369 ( 1.308 -5.223 -2.520) 5.944 3.501 ( -2.432 -13.195 -1.656) 13.519 3.637 ( -5.985 -3.514 1.712) 7.148 4.031 ( -1.850 2.034 -4.796) 5.529 4.121 ( -3.394 2.683 -0.546) 4.361 4.304 ( -6.610 -0.711 -5.407) 8.570 4.425 ( -9.724 -6.201 -0.155) 11.534 6.852 ( 12.791 9.623 -3.869) 16.468 7.085 ( 12.604 24.031 7.102) 28.050 7.181 ( 10.538 -1.511 14.677) 18.132 8.011 ( 20.896 -0.741 3.231) 21.157 8.436 ( 12.325 -2.932 1.665) 12.778 8.508 ( 11.468 -9.866 8.628) 17.415 9.034 ( 11.722 -0.751 1.631) 11.859 9.719 ( -7.468 -8.969 -6.154) 13.194 9.844 ( -3.473 -9.186 0.230) 9.823 10.050 ( -2.217 -4.631 2.175) 5.576 10.647 ( -7.247 0.331 -4.004) 8.287 10.853 ( -4.678 -2.743 -8.018) 9.680 10.978 ( -7.953 1.163 1.165) 8.121 11.128 ( -1.858 7.587 3.891) 8.727 11.275 ( -0.860 -5.477 7.176) 9.068 11.782 ( -11.860 3.090 1.501) 12.348 12.452 ( -8.185 12.054 1.280) 14.626 12.482 ( -8.479 10.817 6.016) 15.003 12.928 ( 3.116 -7.517 -1.907) 8.357 13.251 ( -4.622 -9.139 -5.372) 11.565 13.435 ( 14.366 2.748 -4.572) 15.324 13.539 ( 7.841 2.218 -10.591) 13.363 13.798 ( 1.401 5.952 -6.489) 8.916 13.916 ( 3.146 4.987 3.582) 6.899 14.056 ( 1.909 -4.535 -3.001) 5.764 14.432 ( -0.909 -7.822 1.893) 8.098 14.643 ( 24.556 -1.077 3.837) 24.878 14.868 ( 6.819 13.423 -2.895) 15.331 15.006 ( 17.740 -5.092 1.939) 18.558 15.116 ( 17.624 1.309 8.850) 19.764 15.593 ( -5.101 5.055 -12.633) 14.531 15.780 ( -1.451 0.183 4.879) 5.093 15.824 ( 4.340 12.587 5.315) 14.336 16.147 ( -4.525 12.857 -5.732) 14.786 16.439 ( 17.107 -11.973 0.045) 20.880 17.141 ( 16.572 9.102 -4.967) 19.549 17.614 ( -13.573 11.263 -14.256) 22.678 17.885 ( 9.208 15.482 19.140) 26.284 18.072 ( 4.162 -27.296 5.571) 28.168 18.373 ( -5.572 -5.772 -3.105) 8.603 18.548 ( -6.780 -9.192 0.875) 11.455 18.933 ( -13.243 -13.974 2.520) 19.416 19.005 ( 2.115 -20.956 12.534) 24.510 19.184 ( -5.279 -16.745 7.323) 19.023 20.003 ( 13.142 11.595 3.431) 17.858 20.525 ( 11.755 -4.176 5.250) 13.535 21.568 ( 12.185 5.263 -3.106) 13.631 21.642 ( 2.607 2.790 -0.493) 3.850 ======================= Grid point 84 (34/120) ======================= q-point: ( 0.33 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 16.217 3.176 5.214) 17.328 2.427 ( 11.889 8.631 12.220) 19.110 2.865 ( -0.380 -7.484 -0.447) 7.507 3.133 ( -6.688 -6.441 -7.266) 11.791 3.298 ( -0.111 -3.502 -2.435) 4.267 3.382 ( -0.354 -5.028 -1.315) 5.210 3.478 ( 0.465 -9.339 -1.888) 9.539 3.543 ( -2.451 -2.851 6.184) 7.237 3.961 ( -4.071 3.999 -2.868) 6.387 4.077 ( -1.537 2.492 -0.614) 2.991 4.153 ( -6.140 1.468 -3.937) 7.440 4.265 ( -6.108 -6.425 2.604) 9.240 7.149 ( 14.545 20.315 -2.514) 25.111 7.381 ( 12.958 4.428 10.772) 17.423 7.454 ( 16.393 10.576 10.885) 22.340 8.339 ( 3.162 -5.497 -3.948) 7.470 8.556 ( 10.535 0.749 1.426) 10.657 8.866 ( 17.721 3.660 10.712) 21.028 9.373 ( 2.383 -3.093 -0.825) 3.990 9.419 ( -0.408 -2.658 0.041) 2.689 9.878 ( 0.071 -3.838 -1.975) 4.317 10.084 ( 8.305 -14.280 -0.150) 16.520 10.417 ( -15.287 8.675 -11.019) 20.745 10.674 ( -6.421 -1.468 -3.042) 7.255 10.958 ( 2.287 0.997 3.966) 4.686 11.091 ( -1.802 -6.474 4.167) 7.907 11.190 ( -7.721 -3.467 0.416) 8.474 11.525 ( -13.358 1.763 -0.276) 13.477 12.236 ( -10.694 10.187 3.189) 15.109 12.263 ( -9.987 15.702 4.638) 19.178 13.007 ( 3.185 -13.222 -3.374) 14.013 13.157 ( -3.281 -11.547 -8.950) 14.973 13.590 ( 4.450 5.557 -8.852) 11.360 13.758 ( 2.457 16.737 -11.336) 20.363 13.894 ( 12.105 -0.709 -0.117) 12.127 14.026 ( 7.594 -1.645 5.439) 9.485 14.129 ( 6.416 -1.422 -1.547) 6.751 14.397 ( -2.265 -9.229 1.237) 9.583 14.784 ( -4.538 -4.116 -5.300) 8.101 15.148 ( 4.624 -0.109 -1.298) 4.804 15.223 ( 8.074 8.430 -7.372) 13.806 15.474 ( 5.366 9.087 2.618) 10.873 15.565 ( -7.768 10.772 0.460) 13.288 15.684 ( 17.520 11.123 -1.596) 20.814 15.982 ( 11.808 4.119 10.307) 16.206 16.303 ( 16.559 17.384 4.866) 24.497 16.749 ( 8.492 -9.403 -4.608) 13.482 17.336 ( -7.804 12.883 -12.162) 19.360 17.652 ( 19.158 -6.778 -1.637) 20.387 18.016 ( -7.079 5.978 8.298) 12.438 18.113 ( 0.261 7.337 13.719) 15.559 18.218 ( 6.404 -22.943 6.487) 24.687 18.449 ( -3.708 -25.647 -0.866) 25.928 18.569 ( -17.220 -15.011 -0.706) 22.855 18.931 ( -9.649 -18.633 2.860) 21.177 19.102 ( -3.684 -14.021 21.391) 25.841 20.420 ( 26.474 9.436 -3.478) 28.320 20.843 ( 17.710 -3.302 -0.582) 18.025 21.643 ( -3.153 3.685 -3.064) 5.737 21.734 ( 1.551 0.079 -8.119) 8.267 ======================= Grid point 85 (35/120) ======================= q-point: ( 0.44 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( 8.475 -5.177 4.159) 10.767 2.644 ( 7.536 -1.623 4.964) 9.168 2.843 ( -0.701 -6.706 -3.044) 7.398 2.947 ( -9.095 -6.677 -4.036) 11.983 3.306 ( 1.397 -3.775 -1.495) 4.294 3.351 ( -2.334 -4.257 1.613) 5.116 3.500 ( 1.151 -5.255 -0.578) 5.411 3.519 ( -0.651 -3.568 2.795) 4.579 3.922 ( 0.743 3.333 -2.714) 4.362 3.985 ( -4.931 2.624 -3.243) 6.459 4.116 ( 0.665 -0.758 1.080) 1.477 4.159 ( -3.710 -5.195 3.268) 7.171 7.422 ( 10.531 22.143 4.140) 24.867 7.534 ( 0.965 13.950 11.616) 18.179 7.847 ( 19.234 -0.472 4.780) 19.825 8.199 ( -13.234 -5.791 1.222) 14.497 8.788 ( 10.856 4.682 0.057) 11.823 9.055 ( -14.627 5.617 2.299) 15.836 9.313 ( 22.132 6.208 0.589) 22.994 9.606 ( -1.541 -8.231 -7.957) 11.552 9.874 ( 1.685 -5.938 2.636) 6.711 10.048 ( -15.749 6.970 -10.906) 20.385 10.442 ( 21.005 -5.376 -7.484) 22.938 10.644 ( 2.131 -1.742 1.086) 2.959 10.902 ( -7.820 0.211 8.121) 11.276 11.006 ( -12.219 -11.214 -4.451) 17.171 11.098 ( 4.483 -4.885 -0.144) 6.632 11.237 ( -10.633 -2.247 5.515) 12.187 12.084 ( -2.977 13.149 3.336) 13.888 12.107 ( -4.694 17.234 2.730) 18.069 13.058 ( 2.225 -14.852 -4.459) 15.666 13.106 ( -2.211 -13.665 -6.501) 15.293 13.670 ( 3.545 9.472 -7.771) 12.754 13.741 ( -2.837 13.706 -9.834) 17.106 14.092 ( 7.807 0.367 1.314) 7.925 14.203 ( 2.341 2.789 2.257) 4.284 14.298 ( 6.321 -5.785 -2.884) 9.041 14.397 ( 4.277 -5.442 -1.854) 7.165 14.664 ( -1.092 -9.008 -3.644) 9.778 14.920 ( -17.904 -10.310 -0.827) 20.677 15.339 ( 5.443 15.193 -7.494) 17.793 15.447 ( -4.222 14.479 -4.791) 15.825 15.718 ( 10.319 14.678 9.373) 20.243 15.841 ( -1.013 12.864 6.292) 14.356 16.360 ( 19.404 13.467 -7.057) 24.651 16.694 ( -8.145 12.238 -8.923) 17.197 16.796 ( 24.165 8.485 12.115) 28.333 17.360 ( -13.620 -1.164 3.695) 14.160 17.492 ( 3.627 1.511 1.318) 4.144 17.870 ( -15.170 -7.506 -3.935) 17.377 18.176 ( -0.871 -12.985 7.029) 14.791 18.239 ( -2.751 -20.459 8.393) 22.284 18.448 ( 8.212 -11.549 4.769) 14.952 18.572 ( 5.919 -12.500 4.035) 14.407 18.749 ( -0.839 -19.507 6.545) 20.593 18.956 ( -10.424 -14.533 13.313) 22.296 21.036 ( 29.270 2.827 -7.125) 30.258 21.222 ( 17.808 -0.761 -3.866) 18.239 21.486 ( -12.628 2.440 -4.731) 13.704 21.586 ( -15.302 -1.347 -8.600) 17.605 ======================= Grid point 90 (36/120) ======================= q-point: ( 0.00 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 0.000 21.805 15.596) 26.808 2.399 ( 0.000 28.426 5.015) 28.865 2.665 ( 0.000 -13.169 8.003) 15.410 2.919 ( 0.000 -21.000 4.288) 21.434 3.120 ( 0.000 16.953 -4.974) 17.667 3.336 ( 0.000 -5.862 -10.273) 11.828 3.536 ( 0.000 5.218 0.732) 5.269 3.678 ( 0.000 -7.458 0.881) 7.510 4.096 ( 0.000 6.336 -4.862) 7.986 4.282 ( 0.000 -10.532 -6.508) 12.380 4.361 ( 0.000 9.771 -3.346) 10.329 4.556 ( 0.000 -9.691 -2.996) 10.144 6.660 ( 0.000 7.106 4.894) 8.628 6.831 ( 0.000 -8.831 12.589) 15.377 7.285 ( 0.000 17.441 0.571) 17.450 7.433 ( 0.000 -0.729 6.240) 6.282 7.803 ( 0.000 5.716 13.827) 14.963 8.086 ( 0.000 -19.154 1.084) 19.184 8.962 ( 0.000 9.029 -0.950) 9.079 9.213 ( 0.000 -16.901 0.746) 16.918 10.057 ( 0.000 6.600 0.329) 6.608 10.258 ( 0.000 -13.350 -3.174) 13.722 10.654 ( 0.000 2.565 -11.618) 11.897 10.697 ( 0.000 -2.561 -9.162) 9.513 11.208 ( 0.000 1.841 15.525) 15.634 11.273 ( 0.000 -4.917 16.040) 16.777 11.671 ( 0.000 23.372 -2.930) 23.555 12.032 ( 0.000 -11.388 -3.270) 11.848 12.622 ( 0.000 7.859 4.414) 9.014 12.760 ( 0.000 -5.951 3.409) 6.859 12.778 ( 0.000 11.343 7.195) 13.433 12.989 ( 0.000 -9.822 12.863) 16.184 13.319 ( 0.000 0.380 -4.451) 4.467 13.356 ( 0.000 -3.558 -5.384) 6.453 13.662 ( 0.000 0.170 -3.864) 3.868 13.677 ( 0.000 -0.456 -0.145) 0.478 14.050 ( 0.000 9.501 7.400) 12.042 14.229 ( 0.000 -8.736 12.240) 15.037 14.236 ( 0.000 1.542 -9.893) 10.013 14.274 ( 0.000 -1.660 -11.996) 12.111 14.824 ( 0.000 5.670 21.028) 21.779 14.939 ( 0.000 -5.051 20.411) 21.026 15.541 ( 0.000 6.516 -24.092) 24.958 15.661 ( 0.000 -5.538 -35.290) 35.722 16.236 ( 0.000 29.998 3.702) 30.226 16.724 ( 0.000 1.459 -6.639) 6.797 16.807 ( 0.000 1.664 7.039) 7.233 16.907 ( 0.000 -31.509 7.119) 32.303 17.169 ( 0.000 29.828 -8.251) 30.949 17.765 ( 0.000 -26.210 14.709) 30.056 18.049 ( 0.000 17.772 22.577) 28.733 18.394 ( 0.000 -12.346 4.042) 12.991 18.396 ( 0.000 8.930 -8.761) 12.510 18.633 ( 0.000 -17.769 -8.921) 19.883 18.969 ( 0.000 3.027 -1.924) 3.587 19.122 ( 0.000 -10.035 -10.979) 14.874 20.005 ( 0.000 9.500 14.871) 17.647 20.193 ( 0.000 -8.851 14.413) 16.914 21.407 ( 0.000 7.687 7.668) 10.858 21.511 ( 0.000 -2.943 5.307) 6.068 ======================= Grid point 91 (37/120) ======================= q-point: ( 0.11 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 1.777 22.826 10.644) 25.249 2.435 ( 3.528 26.180 9.624) 28.115 2.672 ( 0.800 -12.470 7.017) 14.331 2.958 ( 3.062 -22.593 4.776) 23.295 3.153 ( 2.417 10.563 -6.771) 12.777 3.298 ( -3.296 -5.414 -10.241) 12.044 3.513 ( -2.039 4.525 0.653) 5.006 3.640 ( -3.405 -6.844 1.796) 7.852 4.111 ( 1.416 7.457 -4.662) 8.907 4.283 ( -0.284 -8.131 -6.039) 10.132 4.316 ( -4.178 7.869 -2.751) 9.325 4.480 ( -6.807 -8.327 -2.483) 11.038 6.736 ( 7.478 6.938 3.537) 10.797 6.893 ( 6.258 -7.922 10.676) 14.693 7.416 ( 10.558 22.057 0.074) 24.454 7.619 ( 16.576 -0.341 5.500) 17.467 7.953 ( 14.277 0.455 14.898) 20.640 8.143 ( 5.234 -16.431 2.242) 17.390 8.979 ( 2.049 7.859 0.348) 8.129 9.230 ( 2.127 -18.078 1.374) 18.254 10.029 ( -3.110 3.961 0.357) 5.048 10.134 ( -9.751 -5.945 -3.099) 11.834 10.684 ( 0.719 -0.253 -10.003) 10.032 10.719 ( 2.050 -4.226 -8.944) 10.103 11.173 ( -3.926 1.292 11.703) 12.411 11.217 ( -3.801 -3.296 13.133) 14.064 11.616 ( -5.704 22.385 -0.779) 23.113 11.955 ( -7.781 -10.270 0.098) 12.885 12.635 ( 1.191 7.013 0.681) 7.146 12.754 ( 1.901 -2.643 1.432) 3.557 12.859 ( 1.336 8.103 3.082) 8.771 13.051 ( 5.561 -8.562 5.676) 11.681 13.327 ( 0.443 1.741 -4.303) 4.663 13.382 ( 0.620 -4.311 -7.982) 9.093 13.752 ( 9.543 2.262 -4.592) 10.829 13.803 ( 12.240 -3.146 -3.403) 13.088 14.093 ( -0.775 6.748 8.860) 11.164 14.204 ( 4.522 -1.829 9.799) 10.946 14.323 ( 5.148 -0.838 -8.747) 10.184 14.408 ( 14.212 -6.238 -0.729) 15.538 14.885 ( 6.792 4.984 18.552) 20.375 14.967 ( 3.070 -2.695 18.188) 18.642 15.587 ( 5.018 3.430 -18.332) 19.314 15.660 ( 0.325 -3.739 -29.439) 29.678 16.187 ( -5.471 18.245 3.558) 19.377 16.397 ( -16.176 -2.919 3.165) 16.739 16.638 ( -6.819 16.835 -1.108) 18.198 17.176 ( 8.830 -32.563 -0.203) 33.740 17.332 ( 11.969 29.723 -3.769) 32.263 17.901 ( 6.380 -23.515 3.120) 24.564 18.064 ( 3.195 15.903 19.091) 25.051 18.214 ( -6.067 5.381 -1.158) 8.192 18.565 ( 5.189 -7.795 7.894) 12.248 18.626 ( -0.447 -19.537 -3.228) 19.807 18.873 ( -8.682 5.169 -0.945) 10.148 19.057 ( -6.111 -10.993 -8.103) 14.962 20.043 ( 4.307 10.191 11.832) 16.199 20.234 ( 4.390 -8.720 11.804) 15.318 21.485 ( 6.908 6.418 4.391) 10.401 21.567 ( 4.837 -1.963 3.266) 6.158 ======================= Grid point 92 (38/120) ======================= q-point: ( 0.22 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 4.977 19.124 5.992) 20.650 2.530 ( 4.875 19.159 10.674) 22.467 2.696 ( 1.230 -9.838 5.415) 11.297 2.996 ( -1.128 -22.850 4.852) 23.386 3.193 ( 1.517 0.744 -10.055) 10.196 3.233 ( -1.747 -3.608 -8.266) 9.187 3.466 ( -2.054 3.393 0.994) 4.089 3.555 ( -4.182 -4.909 3.653) 7.412 4.137 ( 0.153 7.233 -4.290) 8.411 4.198 ( -6.218 4.778 -1.174) 7.929 4.258 ( -2.528 -4.196 -4.833) 6.881 4.304 ( -9.019 -5.933 -1.275) 10.871 6.973 ( 14.909 6.036 1.469) 16.151 7.095 ( 12.774 -5.783 8.347) 16.318 7.657 ( 11.543 27.242 1.649) 29.633 8.019 ( 17.306 -5.246 -0.592) 18.093 8.302 ( 12.571 -4.202 9.028) 16.037 8.374 ( 23.332 -5.833 12.136) 26.938 9.070 ( 7.173 6.080 2.249) 9.668 9.327 ( 7.526 -19.947 1.071) 21.346 9.863 ( -12.129 4.283 -0.703) 12.882 9.959 ( -6.937 -5.086 0.085) 8.602 10.667 ( -1.938 2.349 -7.473) 8.070 10.749 ( 0.267 -5.740 -8.160) 9.981 11.036 ( -7.763 4.684 3.262) 9.635 11.142 ( -5.355 -5.750 6.493) 10.193 11.455 ( -8.357 18.084 1.636) 19.989 11.736 ( -12.040 -8.635 0.862) 14.841 12.608 ( -5.737 7.842 0.598) 9.735 12.769 ( -0.753 -4.890 0.218) 4.952 12.773 ( -8.187 11.029 0.949) 13.768 13.037 ( -6.107 -12.332 -3.065) 14.099 13.478 ( 13.005 2.844 -6.370) 14.758 13.534 ( 13.156 -2.199 -6.274) 14.740 13.870 ( 1.459 1.863 0.490) 2.416 13.935 ( 0.737 -4.906 -1.497) 5.182 14.113 ( 4.406 10.853 -10.456) 15.702 14.301 ( 1.070 -7.369 -8.632) 11.400 14.649 ( 19.166 4.753 12.429) 23.333 14.820 ( 19.735 -10.601 8.324) 23.899 15.071 ( 11.975 5.598 7.897) 15.398 15.127 ( 16.079 -0.696 8.417) 18.163 15.696 ( 2.874 4.261 -10.680) 11.852 15.759 ( 9.961 -1.963 -4.342) 11.042 16.024 ( -8.888 9.181 -0.060) 12.779 16.215 ( 2.902 -10.108 -1.157) 10.580 16.637 ( 5.413 32.297 0.838) 32.758 17.281 ( 3.965 -23.011 -3.215) 23.571 17.568 ( 10.061 10.019 2.153) 14.361 17.842 ( -7.711 2.140 -9.001) 12.044 18.132 ( -2.753 -6.600 -6.643) 9.761 18.221 ( 5.721 9.887 16.847) 20.354 18.486 ( -10.710 -14.072 -2.733) 17.894 18.636 ( -10.164 -1.880 12.370) 16.120 18.687 ( -0.152 -6.942 13.390) 15.083 18.887 ( -8.789 -13.677 3.501) 16.630 20.221 ( 13.344 10.427 4.678) 17.569 20.404 ( 12.428 -7.940 5.173) 15.629 21.652 ( 7.529 2.909 -1.569) 8.223 21.676 ( 4.490 0.417 -0.797) 4.579 ======================= Grid point 93 (39/120) ======================= q-point: ( 0.33 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 5.288 10.218 3.138) 11.925 2.614 ( 2.876 8.645 6.233) 11.038 2.711 ( -0.115 -6.510 3.541) 7.412 2.901 ( -6.549 -15.237 -0.362) 16.588 3.227 ( 1.345 -1.977 -7.354) 7.733 3.249 ( 3.312 -4.471 -1.314) 5.717 3.430 ( -1.600 1.436 1.250) 2.487 3.484 ( -2.591 -3.444 4.515) 6.242 4.050 ( -5.195 4.512 -1.395) 7.021 4.136 ( -6.142 -3.011 -0.800) 6.887 4.137 ( -2.339 2.235 -2.154) 3.887 4.183 ( -4.426 -1.702 -3.182) 5.711 7.337 ( 19.185 4.516 0.859) 19.728 7.403 ( 15.896 -1.852 7.941) 17.865 7.861 ( 6.947 22.551 5.977) 24.342 8.191 ( 0.481 -11.110 0.590) 11.137 8.666 ( 17.942 10.285 5.287) 21.346 8.873 ( 22.512 -6.547 7.109) 24.499 9.294 ( 13.538 4.448 -0.966) 14.283 9.467 ( -3.714 -2.721 -5.699) 7.327 9.706 ( 7.323 -6.724 5.262) 11.248 9.807 ( -5.380 -10.867 3.247) 12.553 10.600 ( -6.572 8.278 -8.266) 13.418 10.699 ( -4.694 0.138 -10.075) 11.116 10.909 ( -2.657 -1.351 -1.234) 3.226 10.984 ( -8.186 -5.849 -0.467) 10.072 11.263 ( -11.318 9.912 5.209) 15.921 11.463 ( -14.687 -7.985 2.651) 16.926 12.446 ( -6.819 12.538 3.076) 14.600 12.594 ( -7.717 14.489 -0.078) 16.416 12.734 ( -1.688 -12.473 1.045) 12.630 12.911 ( -5.463 -13.832 -3.898) 15.374 13.712 ( 8.768 6.586 -6.946) 12.981 13.831 ( 11.206 -4.980 -3.119) 12.653 13.953 ( 9.156 3.615 -1.561) 9.967 14.037 ( 10.414 -4.419 -1.473) 11.408 14.140 ( -1.842 9.083 -12.959) 15.932 14.287 ( -2.515 -4.672 -10.273) 11.562 14.751 ( -5.629 3.657 7.244) 9.876 14.928 ( -5.700 -12.365 4.004) 14.192 15.489 ( 16.568 10.462 -3.907) 19.981 15.593 ( 19.184 0.866 1.669) 19.276 15.764 ( 5.246 7.330 4.981) 10.299 15.872 ( 2.601 -0.801 3.621) 4.529 16.098 ( 19.753 16.802 0.318) 25.934 16.458 ( 16.314 -15.470 -4.014) 22.838 16.816 ( 10.747 28.398 3.894) 30.612 17.392 ( 6.227 -23.364 -0.811) 24.193 17.631 ( -9.741 10.985 -8.168) 16.801 17.813 ( 8.401 -2.960 2.058) 9.142 18.012 ( -6.737 -13.648 -3.763) 15.679 18.122 ( -16.236 -8.538 -5.723) 19.216 18.316 ( -6.277 7.758 13.022) 16.406 18.418 ( -3.883 8.430 12.456) 15.534 18.591 ( -8.497 -12.908 9.413) 18.095 18.777 ( -3.239 -17.857 18.875) 26.184 20.603 ( 22.609 8.649 -1.127) 24.233 20.750 ( 19.870 -6.159 -0.538) 20.809 21.705 ( -2.758 2.333 -3.815) 5.254 21.732 ( -1.317 -0.521 -5.382) 5.565 ======================= Grid point 94 (40/120) ======================= q-point: ( 0.44 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 3.877 2.819 1.784) 5.114 2.646 ( -0.691 2.384 3.427) 4.231 2.702 ( 0.834 -7.109 -0.875) 7.211 2.771 ( -5.189 -9.533 -1.814) 11.004 3.280 ( 3.418 1.497 -1.360) 3.972 3.319 ( 1.885 -0.225 4.253) 4.657 3.394 ( -0.969 -3.255 -0.514) 3.435 3.432 ( -2.718 -4.759 3.450) 6.476 3.995 ( 0.258 3.949 -1.463) 4.219 4.047 ( -3.621 2.713 -2.312) 5.081 4.074 ( -1.290 -2.977 -0.430) 3.273 4.103 ( -2.998 -1.738 -1.695) 3.857 7.706 ( 13.037 6.175 6.665) 15.891 7.740 ( 15.893 3.611 4.346) 16.868 7.914 ( -1.376 9.142 9.012) 12.911 8.082 ( -10.549 -6.711 4.090) 13.154 8.966 ( 12.321 13.354 0.741) 18.184 9.220 ( -6.638 6.831 -1.776) 9.689 9.268 ( 6.721 -8.826 0.337) 11.098 9.449 ( -4.044 -8.126 -7.063) 11.501 9.863 ( 18.236 9.282 2.698) 20.639 10.170 ( 25.612 -17.511 -3.062) 31.177 10.307 ( -19.249 15.679 -10.860) 27.098 10.603 ( -10.541 -10.171 -10.529) 18.039 10.835 ( -0.633 0.693 1.067) 1.421 10.944 ( 2.208 -4.597 4.138) 6.568 10.998 ( -10.409 3.280 2.876) 11.286 11.138 ( -13.883 -7.377 7.378) 17.367 12.388 ( 1.171 17.146 2.431) 17.357 12.462 ( -5.122 18.047 0.847) 18.779 12.737 ( 2.168 -17.272 -0.068) 17.407 12.809 ( -4.318 -16.422 -2.229) 17.125 13.869 ( 6.864 9.648 -9.622) 15.257 13.975 ( 1.254 5.927 -10.423) 12.056 14.058 ( 0.367 -0.753 -9.939) 9.975 14.168 ( -3.644 -6.105 -7.746) 10.515 14.259 ( 11.315 3.134 0.099) 11.741 14.336 ( 14.710 -3.456 0.997) 15.144 14.554 ( -11.000 0.699 3.488) 11.561 14.695 ( -14.838 -11.089 2.906) 18.751 15.664 ( 6.289 16.057 -3.226) 17.544 15.770 ( -2.225 14.306 -1.482) 14.553 15.888 ( 6.740 -0.884 4.339) 8.064 15.955 ( 0.728 -1.548 5.882) 6.126 16.640 ( 26.612 15.050 -5.258) 31.022 16.833 ( 15.105 -0.786 -5.292) 16.024 17.033 ( 8.088 15.171 5.405) 18.022 17.288 ( -17.386 -7.084 -4.210) 19.240 17.555 ( 4.060 4.064 1.907) 6.053 17.717 ( -12.452 -7.943 -3.837) 15.260 17.848 ( -7.380 -14.115 5.357) 16.805 17.863 ( -7.967 -12.669 5.118) 15.817 18.378 ( 11.702 -2.339 9.077) 14.993 18.414 ( 0.529 0.657 9.284) 9.322 18.460 ( -1.982 -5.745 10.361) 12.012 18.651 ( -9.433 -14.967 13.402) 22.195 21.114 ( 24.405 4.328 -4.467) 25.185 21.187 ( 20.641 -2.840 -3.685) 21.159 21.533 ( -14.090 2.140 -5.003) 15.104 21.565 ( -14.395 -1.151 -5.849) 15.580 ======================= Grid point 126 (41/120) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 0.000 0.000 31.734) 31.734 1.455 ( 0.000 0.000 33.567) 33.567 2.799 ( 0.000 0.000 56.745) 56.745 2.955 ( 0.000 0.000 4.369) 4.369 3.048 ( 0.000 0.000 -16.561) 16.561 3.521 ( 0.000 0.000 -2.037) 2.037 3.667 ( 0.000 0.000 0.732) 0.732 3.838 ( 0.000 0.000 -6.186) 6.186 3.972 ( 0.000 0.000 -2.503) 2.503 4.050 ( 0.000 0.000 -10.824) 10.824 4.358 ( 0.000 0.000 -16.800) 16.800 4.837 ( 0.000 0.000 -4.092) 4.092 6.055 ( 0.000 0.000 8.187) 8.187 7.165 ( 0.000 0.000 8.943) 8.943 7.563 ( 0.000 0.000 10.223) 10.223 7.614 ( 0.000 0.000 33.823) 33.823 8.240 ( 0.000 0.000 15.057) 15.057 8.442 ( 0.000 0.000 -12.361) 12.361 8.599 ( 0.000 0.000 -9.883) 9.883 9.976 ( 0.000 0.000 -8.523) 8.523 10.065 ( 0.000 0.000 -9.798) 9.798 10.358 ( 0.000 0.000 0.683) 0.683 10.657 ( 0.000 0.000 -6.502) 6.502 10.835 ( 0.000 0.000 12.920) 12.920 11.133 ( 0.000 0.000 -11.609) 11.609 11.444 ( 0.000 0.000 -7.738) 7.738 11.492 ( 0.000 0.000 -2.533) 2.533 12.255 ( 0.000 0.000 17.979) 17.979 12.397 ( 0.000 0.000 1.241) 1.241 12.437 ( 0.000 0.000 19.539) 19.539 12.730 ( 0.000 0.000 -3.526) 3.526 13.055 ( 0.000 0.000 -12.732) 12.732 13.410 ( 0.000 0.000 -3.948) 3.948 13.481 ( 0.000 0.000 1.511) 1.511 13.726 ( 0.000 0.000 6.619) 6.619 13.897 ( 0.000 0.000 14.265) 14.265 14.011 ( 0.000 0.000 -6.675) 6.675 14.013 ( 0.000 0.000 -1.762) 1.762 14.103 ( 0.000 0.000 -14.709) 14.709 14.109 ( 0.000 0.000 3.315) 3.315 14.553 ( 0.000 0.000 8.614) 8.614 15.037 ( 0.000 0.000 21.020) 21.020 15.081 ( 0.000 0.000 -30.213) 30.213 15.732 ( 0.000 0.000 12.805) 12.805 15.954 ( 0.000 0.000 -7.827) 7.827 16.278 ( 0.000 0.000 -17.589) 17.589 16.316 ( 0.000 0.000 46.078) 46.078 16.711 ( 0.000 0.000 9.406) 9.406 17.678 ( 0.000 0.000 -30.256) 30.256 17.913 ( 0.000 0.000 -11.963) 11.963 18.032 ( 0.000 0.000 19.857) 19.857 18.446 ( 0.000 0.000 -0.796) 0.796 18.949 ( 0.000 0.000 1.019) 1.019 19.073 ( 0.000 0.000 11.371) 11.371 19.407 ( 0.000 0.000 -2.764) 2.764 19.780 ( 0.000 0.000 -13.068) 13.068 19.861 ( 0.000 0.000 8.807) 8.807 20.657 ( 0.000 0.000 20.424) 20.424 21.408 ( 0.000 0.000 30.426) 30.426 21.565 ( 0.000 0.000 3.897) 3.897 ======================= Grid point 127 (42/120) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 20.844 0.000 23.983) 31.775 1.669 ( 18.549 0.000 27.005) 32.762 2.866 ( 5.222 0.000 38.743) 39.094 2.978 ( 2.097 0.000 4.184) 4.680 3.123 ( 6.821 0.000 -4.614) 8.236 3.434 ( -4.119 0.000 -3.147) 5.183 3.739 ( 2.994 0.000 -0.364) 3.016 3.787 ( -4.680 0.000 -6.060) 7.657 4.021 ( 3.339 0.000 -0.476) 3.372 4.058 ( 1.502 0.000 -10.213) 10.323 4.271 ( -8.149 0.000 -15.360) 17.388 4.758 ( -6.628 0.000 -2.631) 7.131 6.124 ( 6.402 0.000 8.293) 10.476 7.008 ( -4.909 0.000 13.910) 14.751 7.609 ( 0.282 0.000 31.434) 31.435 7.887 ( 19.224 0.000 -0.004) 19.224 8.299 ( 4.386 0.000 2.032) 4.834 8.621 ( 16.641 0.000 0.131) 16.642 8.689 ( 8.238 0.000 -4.018) 9.166 9.900 ( -6.375 0.000 -8.542) 10.659 9.974 ( -8.451 0.000 -6.168) 10.463 10.313 ( -3.483 0.000 -1.519) 3.800 10.748 ( 4.063 0.000 -6.219) 7.428 10.779 ( -3.401 0.000 7.247) 8.006 11.184 ( 2.951 0.000 -8.882) 9.360 11.198 ( -12.699 0.000 -7.109) 14.553 11.623 ( 3.621 0.000 2.034) 4.154 12.155 ( -8.501 0.000 17.254) 19.234 12.314 ( -5.557 0.000 -4.097) 6.903 12.320 ( -9.475 0.000 13.596) 16.571 12.846 ( 7.718 0.000 -2.098) 7.998 13.072 ( -0.409 0.000 -7.097) 7.109 13.335 ( -5.425 0.000 -6.262) 8.286 13.370 ( -1.659 0.000 -1.708) 2.382 13.760 ( -4.185 0.000 -6.791) 7.977 13.924 ( 6.728 0.000 6.393) 9.281 13.939 ( -3.936 0.000 10.596) 11.303 14.176 ( 19.354 0.000 -0.053) 19.354 14.238 ( 5.366 0.000 -6.197) 8.198 14.423 ( 21.488 0.000 -7.845) 22.875 14.526 ( -1.640 0.000 3.658) 4.009 15.092 ( 1.019 0.000 -27.861) 27.880 15.209 ( 15.349 0.000 22.631) 27.345 15.642 ( -6.174 0.000 9.666) 11.469 15.972 ( 1.231 0.000 -6.168) 6.290 16.267 ( -6.519 0.000 9.343) 11.393 16.448 ( 11.186 0.000 -2.064) 11.374 16.760 ( 12.606 0.000 30.751) 33.235 17.372 ( -20.160 0.000 -25.686) 32.653 17.885 ( -5.887 0.000 24.361) 25.062 18.105 ( 9.043 0.000 -13.138) 15.950 18.617 ( 13.694 0.000 -7.067) 15.410 18.965 ( 1.518 0.000 1.365) 2.041 19.381 ( 16.427 0.000 13.420) 21.211 19.408 ( 0.078 0.000 -2.159) 2.161 19.607 ( -10.442 0.000 -9.951) 14.424 19.957 ( 7.096 0.000 6.642) 9.720 20.664 ( 0.998 0.000 17.494) 17.522 21.344 ( -5.022 0.000 22.676) 23.225 21.561 ( -0.417 0.000 2.416) 2.452 ======================= Grid point 128 (43/120) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 20.897 0.000 14.389) 25.372 2.130 ( 23.514 0.000 16.174) 28.540 2.989 ( 6.231 0.000 8.139) 10.250 3.036 ( 3.194 0.000 3.645) 4.847 3.217 ( -0.217 0.000 -5.558) 5.563 3.433 ( 3.160 0.000 9.641) 10.146 3.659 ( -6.966 0.000 -5.618) 8.950 3.805 ( 4.771 0.000 -1.200) 4.920 4.038 ( -13.418 0.000 -12.175) 18.118 4.048 ( 0.691 0.000 -4.758) 4.808 4.083 ( -2.073 0.000 0.010) 2.073 4.641 ( -2.582 0.000 2.316) 3.469 6.314 ( 11.626 0.000 8.623) 14.474 7.065 ( 10.171 0.000 11.383) 15.265 7.633 ( 1.184 0.000 26.671) 26.698 8.219 ( 12.768 0.000 -5.992) 14.104 8.394 ( 4.762 0.000 -6.480) 8.042 8.908 ( 11.845 0.000 7.827) 14.197 9.081 ( 25.855 0.000 5.829) 26.504 9.738 ( -13.358 0.000 1.554) 13.448 9.756 ( -6.403 0.000 -9.043) 11.081 10.232 ( -4.594 0.000 -3.181) 5.588 10.512 ( -23.634 0.000 -10.232) 25.753 10.745 ( 0.566 0.000 1.401) 1.511 11.152 ( 3.752 0.000 -1.003) 3.884 11.209 ( -0.878 0.000 -8.207) 8.254 11.618 ( -2.033 0.000 9.689) 9.900 11.929 ( -12.326 0.000 16.081) 20.261 12.033 ( -18.489 0.000 3.122) 18.751 12.241 ( -2.950 0.000 -10.618) 11.021 12.962 ( 3.277 0.000 -7.661) 8.332 13.061 ( 1.910 0.000 -3.374) 3.877 13.275 ( 0.612 0.000 -3.582) 3.634 13.430 ( 3.611 0.000 -7.540) 8.360 13.675 ( -1.714 0.000 -4.806) 5.103 13.893 ( 2.697 0.000 -0.014) 2.697 14.164 ( 11.739 0.000 9.864) 15.333 14.302 ( -0.344 0.000 2.789) 2.810 14.556 ( 8.037 0.000 -3.991) 8.973 14.623 ( 16.142 0.000 -12.116) 20.183 14.771 ( 14.817 0.000 -4.205) 15.402 15.115 ( 1.296 0.000 -17.661) 17.708 15.501 ( -8.493 0.000 0.980) 8.549 15.632 ( 23.723 0.000 23.979) 33.731 15.982 ( -0.365 0.000 -2.843) 2.866 16.069 ( -8.110 0.000 15.340) 17.352 16.703 ( 12.989 0.000 -9.605) 16.154 16.927 ( -21.768 0.000 -23.204) 31.816 17.317 ( 34.682 0.000 28.093) 44.633 17.916 ( 9.895 0.000 23.425) 25.429 18.184 ( -2.467 0.000 -5.808) 6.310 18.998 ( 18.734 0.000 -9.346) 20.936 19.013 ( 3.136 0.000 2.429) 3.967 19.233 ( -13.551 0.000 -7.884) 15.678 19.405 ( -0.616 0.000 -0.420) 0.745 19.572 ( -3.498 0.000 5.515) 6.531 20.138 ( 3.429 0.000 24.217) 24.459 20.721 ( 4.950 0.000 9.275) 10.513 21.295 ( 2.789 0.000 -3.065) 4.144 21.539 ( -2.012 0.000 -1.159) 2.322 ======================= Grid point 129 (44/120) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 16.497 0.000 7.352) 18.061 2.588 ( 19.359 0.000 7.511) 20.765 3.070 ( -0.819 0.000 -3.273) 3.374 3.099 ( 2.404 0.000 2.875) 3.748 3.214 ( 2.644 0.000 -12.541) 12.817 3.440 ( -2.362 0.000 5.037) 5.564 3.518 ( -6.023 0.000 -4.955) 7.799 3.748 ( -13.288 0.000 -8.858) 15.970 3.840 ( -4.044 0.000 0.445) 4.069 3.943 ( -5.896 0.000 -6.787) 8.991 4.204 ( 11.803 0.000 12.781) 17.398 4.635 ( 0.032 0.000 7.690) 7.691 6.603 ( 15.904 0.000 9.000) 18.274 7.406 ( 21.530 0.000 6.142) 22.389 7.590 ( -6.844 0.000 18.623) 19.840 8.424 ( 5.767 0.000 -6.176) 8.450 8.531 ( 9.363 0.000 -3.092) 9.861 9.166 ( 12.295 0.000 16.907) 20.905 9.435 ( -14.586 0.000 7.761) 16.523 9.655 ( 27.356 0.000 1.931) 27.424 9.658 ( -2.960 0.000 -10.538) 10.946 9.934 ( -23.289 0.000 -17.429) 29.089 10.164 ( -7.264 0.000 -1.439) 7.405 10.805 ( 4.704 0.000 -2.657) 5.403 11.129 ( -7.534 0.000 -7.841) 10.874 11.153 ( -2.230 0.000 8.321) 8.615 11.591 ( -21.284 0.000 -6.664) 22.303 11.600 ( -5.344 0.000 12.169) 13.290 11.699 ( -3.904 0.000 10.066) 10.796 12.117 ( -8.591 0.000 -4.523) 9.709 13.035 ( 4.326 0.000 -6.562) 7.860 13.180 ( 8.179 0.000 -10.198) 13.073 13.293 ( -0.474 0.000 -0.703) 0.848 13.459 ( -0.391 0.000 -11.676) 11.683 13.690 ( 2.986 0.000 -1.765) 3.468 14.080 ( 13.644 0.000 -8.100) 15.867 14.166 ( -8.395 0.000 0.523) 8.411 14.456 ( 14.628 0.000 5.736) 15.712 14.744 ( 0.219 0.000 -17.952) 17.953 14.847 ( 15.523 0.000 0.818) 15.545 14.982 ( 0.344 0.000 -12.840) 12.845 15.212 ( -4.173 0.000 -11.129) 11.885 15.351 ( 8.037 0.000 10.908) 13.549 15.860 ( -4.206 0.000 2.605) 4.947 15.958 ( -4.160 0.000 23.588) 23.952 16.243 ( 24.226 0.000 15.978) 29.021 16.501 ( -15.086 0.000 -15.296) 21.484 17.021 ( 18.456 0.000 -6.599) 19.600 17.902 ( 19.043 0.000 11.959) 22.487 17.988 ( -15.996 0.000 3.604) 16.397 18.331 ( 25.465 0.000 18.628) 31.551 18.742 ( -19.791 0.000 -3.113) 20.034 19.097 ( 4.696 0.000 3.181) 5.672 19.268 ( -11.979 0.000 -2.069) 12.157 19.373 ( -2.572 0.000 1.698) 3.082 19.824 ( 29.648 0.000 -1.128) 29.669 19.986 ( -9.028 0.000 21.495) 23.314 20.877 ( 9.766 0.000 -0.127) 9.767 21.400 ( 2.550 0.000 -20.368) 20.527 21.466 ( -5.155 0.000 -4.896) 7.110 ======================= Grid point 130 (45/120) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( 13.123 0.000 1.019) 13.163 2.920 ( 12.288 0.000 2.048) 12.458 2.970 ( -7.904 0.000 -3.468) 8.631 3.097 ( -4.050 0.000 1.562) 4.341 3.291 ( 3.570 0.000 -10.817) 11.391 3.369 ( -3.957 0.000 -2.795) 4.845 3.441 ( -0.210 0.000 -4.462) 4.467 3.523 ( -7.631 0.000 -5.467) 9.387 3.769 ( 0.090 0.000 -0.995) 0.999 3.836 ( -4.920 0.000 -3.877) 6.264 4.444 ( 9.692 0.000 14.342) 17.310 4.592 ( -4.478 0.000 11.845) 12.663 6.967 ( 18.413 0.000 9.420) 20.683 7.340 ( -16.116 0.000 11.576) 19.843 7.915 ( 25.435 0.000 2.328) 25.541 8.361 ( -13.794 0.000 -1.081) 13.837 8.790 ( 14.700 0.000 4.999) 15.527 9.114 ( -15.744 0.000 9.453) 18.364 9.368 ( 6.291 0.000 9.578) 11.459 9.512 ( -9.780 0.000 -10.391) 14.270 9.750 ( 7.192 0.000 -14.041) 15.776 9.975 ( -11.233 0.000 -3.149) 11.666 10.220 ( 26.212 0.000 -5.795) 26.845 10.725 ( -19.589 0.000 -9.368) 21.713 11.041 ( 6.630 0.000 -4.508) 8.017 11.170 ( 5.255 0.000 13.668) 14.644 11.245 ( -11.968 0.000 -6.411) 13.577 11.362 ( -12.023 0.000 15.161) 19.350 11.776 ( 6.284 0.000 3.893) 7.392 11.931 ( -8.420 0.000 0.501) 8.435 13.139 ( 5.348 0.000 -3.095) 6.179 13.242 ( -4.081 0.000 -0.995) 4.200 13.339 ( 6.153 0.000 -15.516) 16.691 13.428 ( -2.594 0.000 -15.967) 16.177 13.795 ( 6.922 0.000 -0.777) 6.966 13.970 ( -9.454 0.000 -0.235) 9.457 14.399 ( 15.649 0.000 -10.795) 19.011 14.670 ( -8.435 0.000 -13.657) 16.052 14.793 ( 16.198 0.000 2.251) 16.354 14.955 ( -0.547 0.000 -13.555) 13.566 15.016 ( -7.187 0.000 -13.145) 14.982 15.025 ( -2.209 0.000 2.624) 3.430 15.633 ( 12.268 0.000 17.965) 21.754 15.826 ( 5.149 0.000 -2.956) 5.938 15.840 ( -7.663 0.000 22.591) 23.855 16.076 ( -16.198 0.000 -8.530) 18.307 16.931 ( 30.949 0.000 16.169) 34.918 17.483 ( 24.944 0.000 -4.610) 25.366 17.539 ( -26.181 0.000 11.351) 28.536 17.984 ( -18.167 0.000 -1.057) 18.197 18.498 ( 11.776 0.000 4.360) 12.557 18.802 ( -4.395 0.000 0.633) 4.441 19.063 ( 10.942 0.000 20.140) 22.920 19.200 ( 5.038 0.000 3.306) 6.026 19.300 ( -4.284 0.000 2.914) 5.181 19.517 ( -23.284 0.000 24.058) 33.480 20.685 ( 36.545 0.000 -19.562) 41.451 21.104 ( 11.179 0.000 -5.739) 12.566 21.262 ( -17.183 0.000 -22.533) 28.337 21.319 ( -8.914 0.000 -6.915) 11.281 ======================= Grid point 135 (46/120) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 0.000 20.271 25.689) 32.723 1.714 ( 0.000 22.798 24.842) 33.717 2.882 ( 0.000 7.094 47.322) 47.851 2.923 ( 0.000 -2.637 -2.362) 3.541 3.100 ( 0.000 4.471 -9.504) 10.503 3.452 ( 0.000 -6.398 -2.393) 6.831 3.610 ( 0.000 -5.396 -0.538) 5.423 3.795 ( 0.000 -3.680 -6.146) 7.164 3.995 ( 0.000 2.486 -3.478) 4.275 4.057 ( 0.000 0.077 -7.202) 7.202 4.328 ( 0.000 -3.048 -15.441) 15.739 4.787 ( 0.000 -4.905 -4.377) 6.574 6.264 ( 0.000 18.219 2.932) 18.454 7.006 ( 0.000 -10.892 13.444) 17.303 7.552 ( 0.000 -1.207 16.386) 16.431 7.625 ( 0.000 0.428 28.848) 28.851 8.208 ( 0.000 -2.864 15.772) 16.030 8.375 ( 0.000 -6.312 -14.132) 15.478 8.659 ( 0.000 5.281 -7.179) 8.912 9.893 ( 0.000 -9.500 -7.519) 12.115 10.065 ( 0.000 -0.441 -5.433) 5.451 10.354 ( 0.000 1.251 0.590) 1.383 10.564 ( 0.000 -8.416 -7.733) 11.430 10.908 ( 0.000 7.326 5.715) 9.291 10.966 ( 0.000 -12.262 -6.845) 14.043 11.482 ( 0.000 -0.048 6.077) 6.078 11.576 ( 0.000 7.581 -6.566) 10.029 12.142 ( 0.000 -6.546 12.557) 14.160 12.390 ( 0.000 1.954 -0.260) 1.972 12.514 ( 0.000 5.268 10.438) 11.692 12.903 ( 0.000 9.731 2.418) 10.027 13.126 ( 0.000 6.274 -6.964) 9.374 13.357 ( 0.000 -4.901 -9.999) 11.135 13.474 ( 0.000 -0.964 2.635) 2.805 13.764 ( 0.000 1.987 5.225) 5.590 13.815 ( 0.000 -14.438 -3.160) 14.780 13.862 ( 0.000 -1.238 5.999) 6.126 14.020 ( 0.000 -1.351 -4.225) 4.436 14.060 ( 0.000 4.270 0.470) 4.296 14.361 ( 0.000 17.222 -7.684) 18.859 14.744 ( 0.000 13.435 12.024) 18.030 15.068 ( 0.000 1.941 6.349) 6.639 15.081 ( 0.000 1.332 -12.573) 12.643 15.720 ( 0.000 0.525 10.133) 10.147 15.935 ( 0.000 -1.901 -2.025) 2.778 16.296 ( 0.000 -0.179 43.319) 43.320 16.306 ( 0.000 2.872 -17.162) 17.401 16.766 ( 0.000 4.692 4.446) 6.464 17.729 ( 0.000 4.499 -27.223) 27.593 17.942 ( 0.000 2.963 -12.028) 12.387 18.070 ( 0.000 4.412 20.080) 20.558 18.421 ( 0.000 -4.556 2.220) 5.068 18.498 ( 0.000 -27.699 -1.910) 27.765 19.217 ( 0.000 -2.160 7.548) 7.851 19.318 ( 0.000 -8.014 -4.985) 9.438 19.647 ( 0.000 -11.068 -4.601) 11.986 19.943 ( 0.000 7.395 11.399) 13.587 20.658 ( 0.000 -0.297 18.168) 18.171 21.445 ( 0.000 3.502 26.593) 26.823 21.586 ( 0.000 1.976 4.142) 4.589 ======================= Grid point 136 (47/120) ======================= q-point: ( 0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 12.816 12.379 24.232) 30.078 1.943 ( 16.682 20.118 19.722) 32.742 2.913 ( 3.116 1.569 14.994) 15.395 2.961 ( 1.500 0.383 13.439) 13.528 3.153 ( 5.288 2.354 -2.238) 6.206 3.418 ( -1.086 -1.493 -0.816) 2.018 3.643 ( 1.633 -6.781 -2.615) 7.449 3.769 ( -2.695 -3.881 -4.044) 6.219 4.018 ( -0.063 -0.483 -3.444) 3.478 4.055 ( 1.479 0.602 -5.781) 5.998 4.265 ( -5.618 -0.981 -13.771) 14.905 4.705 ( -6.959 -5.083 -3.008) 9.128 6.324 ( 5.728 17.651 3.871) 18.957 6.957 ( -0.219 -3.038 15.173) 15.476 7.595 ( 1.001 -2.434 31.209) 31.320 7.801 ( 15.357 -5.012 4.635) 16.806 8.300 ( 4.948 -0.743 -0.182) 5.007 8.510 ( 14.399 -7.741 1.649) 16.431 8.774 ( 10.510 5.207 -2.101) 11.916 9.857 ( -4.767 -5.552 -8.149) 10.953 9.988 ( -6.639 0.387 -5.868) 8.869 10.240 ( -5.429 -5.365 0.735) 7.668 10.697 ( 6.353 -4.433 -3.364) 8.446 10.856 ( -3.515 7.609 2.232) 8.673 11.018 ( 2.600 -13.054 -7.037) 15.056 11.232 ( -14.010 3.501 -3.126) 14.775 11.675 ( 0.181 -0.499 7.658) 7.676 12.016 ( -7.292 -2.572 7.371) 10.683 12.336 ( -5.911 3.434 -3.210) 7.552 12.541 ( -1.607 11.024 13.600) 17.581 12.921 ( 4.190 5.662 -4.039) 8.120 13.078 ( -4.155 -0.188 -3.890) 5.695 13.303 ( -5.305 -1.654 -11.805) 13.047 13.426 ( 0.835 4.241 -1.441) 4.556 13.626 ( -8.248 -10.669 -3.004) 13.816 13.854 ( 7.364 -1.734 7.612) 10.732 14.038 ( 2.674 -1.903 -6.225) 7.038 14.201 ( 19.391 6.260 11.423) 23.360 14.242 ( 11.493 1.496 -4.509) 12.436 14.449 ( 7.391 6.955 -12.668) 16.232 14.746 ( 2.021 15.038 9.161) 17.724 15.099 ( 2.248 1.364 -24.869) 25.007 15.219 ( 12.353 0.282 22.479) 25.651 15.677 ( -3.105 4.892 9.064) 10.758 15.917 ( 0.133 -3.741 -6.197) 7.240 16.276 ( -6.952 0.996 11.499) 13.474 16.424 ( 10.326 -3.464 4.623) 11.832 16.777 ( 9.268 2.998 21.293) 23.416 17.435 ( -19.106 6.111 -24.041) 31.311 17.965 ( -2.944 8.037 23.338) 24.858 18.133 ( 9.051 2.252 -12.587) 15.666 18.544 ( 8.208 -9.122 -4.282) 12.997 18.655 ( 9.447 -22.587 -0.802) 24.496 19.252 ( -1.200 -7.988 -1.950) 8.309 19.403 ( 3.262 -14.585 -3.855) 15.434 19.599 ( 1.558 1.827 6.870) 7.278 19.970 ( 3.090 3.000 12.127) 12.869 20.664 ( 0.929 -0.323 15.675) 15.706 21.395 ( -3.727 4.763 19.014) 19.952 21.586 ( -0.178 2.252 2.686) 3.509 ======================= Grid point 137 (48/120) ======================= q-point: ( 0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 20.668 3.656 15.484) 26.082 2.296 ( 16.116 11.810 15.578) 25.335 2.968 ( -0.042 -4.265 1.311) 4.462 3.012 ( 5.837 0.305 0.362) 5.856 3.230 ( 0.686 -0.500 -4.881) 4.954 3.418 ( -1.062 -1.430 4.452) 4.795 3.660 ( -3.651 0.600 -0.980) 3.827 3.736 ( 4.122 -7.598 0.558) 8.663 3.959 ( -5.164 -2.814 -6.434) 8.717 4.072 ( -0.672 0.260 0.675) 0.987 4.132 ( -6.676 2.965 -9.302) 11.827 4.571 ( -3.936 -6.492 1.446) 7.728 6.503 ( 11.295 17.114 5.922) 21.344 7.077 ( 11.784 2.404 12.154) 17.099 7.650 ( 3.832 0.225 27.698) 27.963 8.117 ( 14.030 -6.996 -2.614) 15.894 8.379 ( 3.403 -1.143 -8.606) 9.324 8.866 ( 15.987 -3.685 10.054) 19.242 9.101 ( 21.118 1.073 5.732) 21.908 9.665 ( -11.647 -3.543 -6.085) 13.610 9.853 ( -6.405 3.995 -3.455) 8.302 10.167 ( -2.630 -4.884 -1.333) 5.705 10.541 ( -21.778 3.770 -6.858) 23.142 10.807 ( 0.823 2.025 0.994) 2.401 11.044 ( -4.425 -7.929 -0.533) 9.096 11.119 ( 6.494 -5.609 -6.503) 10.767 11.581 ( -7.448 -6.848 9.095) 13.605 11.838 ( -10.859 -0.305 10.755) 15.286 12.204 ( -9.808 8.720 -6.019) 14.438 12.370 ( -10.417 12.320 -0.135) 16.134 13.013 ( 1.563 -2.451 -0.387) 2.933 13.045 ( 2.045 2.880 -13.107) 13.574 13.247 ( 1.539 -1.987 -9.504) 9.831 13.430 ( -1.241 1.049 1.520) 2.225 13.611 ( 7.450 -2.327 -4.658) 9.090 13.997 ( 0.706 6.434 2.180) 6.830 14.097 ( 8.928 -7.788 1.220) 11.910 14.399 ( 6.204 10.660 -4.781) 13.228 14.530 ( 2.775 -2.645 -7.522) 8.442 14.732 ( 23.486 3.963 0.580) 23.825 14.831 ( 5.224 9.867 -1.608) 11.279 15.162 ( 3.065 6.157 -14.407) 15.964 15.416 ( 0.763 -5.274 8.685) 10.190 15.735 ( 10.093 7.436 14.429) 19.114 15.926 ( 2.026 -2.034 -4.116) 5.018 16.101 ( -3.909 1.246 14.416) 14.988 16.649 ( 9.292 -5.410 -5.968) 12.297 17.034 ( -17.098 9.855 -20.087) 28.160 17.281 ( 34.493 -2.791 28.355) 44.738 18.006 ( 6.706 9.296 20.607) 23.580 18.219 ( -1.697 3.391 -5.351) 6.559 18.716 ( 5.587 -22.769 1.499) 23.493 18.847 ( 10.833 -17.310 -5.295) 21.096 19.106 ( -13.460 -7.287 -1.453) 15.374 19.300 ( -5.710 -13.185 -11.026) 18.111 19.739 ( 6.492 9.286 12.467) 16.847 20.061 ( 1.759 -5.389 21.654) 22.384 20.716 ( 4.536 -0.843 9.038) 10.147 21.367 ( 2.479 6.457 -2.760) 7.447 21.568 ( -1.844 2.698 -1.136) 3.460 ======================= Grid point 138 (49/120) ======================= q-point: ( 0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 16.562 0.716 6.326) 17.744 2.611 ( 14.055 1.999 11.237) 18.106 2.958 ( -1.102 -6.324 -3.872) 7.497 3.117 ( 1.465 -3.166 -0.865) 3.595 3.222 ( 0.692 -0.480 -12.890) 12.917 3.360 ( -3.196 -3.565 -0.072) 4.788 3.553 ( -5.064 -0.463 -1.993) 5.462 3.722 ( -6.821 -1.273 -1.016) 7.013 3.863 ( -4.263 1.387 -1.712) 4.798 3.970 ( -7.143 2.472 -6.630) 10.055 4.157 ( 8.831 -3.772 9.731) 13.671 4.534 ( -1.292 -9.248 6.438) 11.342 6.790 ( 15.922 17.407 7.640) 24.797 7.432 ( 21.415 3.240 7.291) 22.853 7.686 ( -2.612 7.971 21.145) 22.748 8.334 ( 5.549 -6.680 -6.457) 10.821 8.509 ( 10.423 -1.435 -3.377) 11.050 9.157 ( 12.108 -0.621 16.554) 20.519 9.415 ( -12.288 -2.201 3.475) 12.958 9.539 ( 12.699 -7.424 -3.895) 15.217 9.786 ( 6.609 6.932 -2.429) 9.881 9.959 ( -21.644 3.298 -15.137) 26.617 10.171 ( -5.983 1.098 -1.639) 6.299 10.841 ( 1.467 -2.329 0.587) 2.815 10.995 ( 0.408 -4.132 0.127) 4.154 11.185 ( -2.837 -1.135 -1.778) 3.535 11.393 ( -9.089 -11.519 0.618) 14.686 11.584 ( -12.734 -1.856 11.689) 17.385 11.941 ( -10.187 16.038 -1.181) 19.036 12.166 ( -10.325 5.251 -3.207) 12.019 13.083 ( 2.995 -1.819 -3.870) 5.221 13.092 ( 4.043 -4.711 -9.554) 11.394 13.296 ( 2.677 -2.531 -12.377) 12.914 13.420 ( -0.520 6.352 -0.441) 6.388 13.816 ( 9.266 6.030 -3.844) 11.705 14.057 ( 7.034 -0.622 -5.051) 8.681 14.189 ( -1.222 1.134 -0.633) 1.783 14.535 ( 8.876 1.823 -2.079) 9.297 14.634 ( 4.378 -9.650 -4.011) 11.330 14.856 ( 0.686 11.202 -8.289) 13.953 15.069 ( 0.348 -2.747 -9.951) 10.329 15.232 ( 3.488 9.548 -10.070) 14.309 15.464 ( 11.116 9.971 12.736) 19.626 15.714 ( -4.833 -7.904 9.078) 12.971 16.065 ( -1.231 5.542 7.350) 9.287 16.331 ( 26.403 7.766 19.235) 33.577 16.581 ( -12.928 5.315 -14.697) 20.283 17.016 ( 15.411 1.084 -4.491) 16.089 17.908 ( 16.517 -0.933 13.574) 21.399 18.018 ( -12.060 2.920 2.623) 12.683 18.316 ( 19.419 0.282 17.890) 26.405 18.637 ( -14.202 -10.719 -2.487) 17.966 18.898 ( 0.891 -18.054 2.852) 18.300 19.015 ( -2.281 -24.579 2.032) 24.768 19.198 ( -2.197 -9.828 -3.209) 10.569 19.851 ( -9.383 -7.248 26.225) 28.781 20.099 ( 20.157 13.680 -2.255) 24.465 20.872 ( 10.290 -0.732 0.024) 10.316 21.436 ( 0.202 3.469 -17.332) 17.677 21.498 ( -4.844 2.897 -5.216) 7.685 ======================= Grid point 139 (50/120) ======================= q-point: ( 0.44 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( 11.270 -1.814 -0.306) 11.419 2.861 ( 8.471 -6.213 5.615) 11.912 2.906 ( -3.851 -4.754 -4.630) 7.673 3.031 ( -6.992 -6.708 0.326) 9.695 3.282 ( 2.688 -1.480 -9.087) 9.591 3.315 ( -1.144 -1.815 -4.875) 5.327 3.494 ( 0.271 2.905 -2.973) 4.165 3.571 ( -6.436 3.028 -1.715) 7.317 3.798 ( -0.273 2.738 -1.848) 3.314 3.851 ( -4.530 1.711 -4.287) 6.468 4.345 ( 7.935 -8.754 11.978) 16.825 4.476 ( -4.507 -10.556 10.154) 15.325 7.150 ( 17.893 17.130 9.071) 26.379 7.500 ( -14.244 14.761 12.641) 24.095 7.924 ( 23.791 1.141 3.917) 24.139 8.314 ( -10.261 -3.863 0.532) 10.977 8.777 ( 15.002 -1.157 3.335) 15.412 9.114 ( -16.147 -0.245 7.593) 17.845 9.343 ( 6.106 -1.764 6.006) 8.745 9.508 ( -11.088 -0.046 -10.098) 14.997 9.741 ( 7.381 -0.998 -12.854) 14.856 9.938 ( -6.842 -2.168 -1.334) 7.300 10.271 ( 20.248 3.431 -6.021) 21.401 10.708 ( -17.476 -2.390 -7.123) 19.022 11.059 ( 5.200 -2.572 -0.688) 5.842 11.127 ( 3.665 0.199 6.127) 7.142 11.252 ( -6.190 -3.866 0.462) 7.313 11.326 ( -10.581 -1.415 10.666) 15.090 11.861 ( 1.618 9.253 1.418) 9.500 11.966 ( -7.872 4.529 0.417) 9.091 13.132 ( 2.168 -5.356 -4.587) 7.377 13.156 ( 0.625 -8.675 -7.896) 11.747 13.355 ( 2.651 1.965 -12.040) 12.484 13.398 ( -1.478 6.078 -6.606) 9.098 13.959 ( 5.632 10.704 -2.833) 12.422 14.075 ( -5.238 7.803 -3.431) 10.005 14.340 ( 14.694 -5.331 -6.446) 16.908 14.603 ( -7.399 -7.347 -4.913) 11.526 14.709 ( 5.007 -10.610 -4.841) 12.691 14.805 ( -5.373 2.367 -11.367) 12.794 15.078 ( 7.063 4.797 -3.243) 9.133 15.251 ( -5.163 7.655 -1.588) 9.369 15.610 ( 5.184 2.745 5.430) 7.993 15.728 ( -0.906 3.902 8.824) 9.691 16.063 ( 5.770 14.027 2.465) 15.366 16.279 ( -12.194 13.025 -1.084) 17.875 16.971 ( 30.049 3.892 15.849) 34.195 17.439 ( 20.822 -3.808 -2.763) 21.347 17.574 ( -22.434 3.108 10.415) 24.928 17.941 ( -19.215 -4.362 -0.946) 19.726 18.458 ( 10.582 -3.585 5.708) 12.546 18.737 ( -7.014 -7.309 1.310) 10.214 18.849 ( 8.625 -18.116 12.538) 23.660 18.964 ( 0.657 -19.287 4.292) 19.769 19.221 ( 5.222 -9.342 9.804) 14.515 19.504 ( -18.681 -4.600 21.422) 28.793 20.733 ( 32.151 4.940 -15.314) 35.953 21.117 ( 12.282 0.995 -5.763) 13.603 21.264 ( -16.715 1.201 -17.745) 24.407 21.356 ( -9.869 2.748 -8.740) 13.467 ======================= Grid point 144 (51/120) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 0.000 26.608 16.042) 31.070 2.203 ( 0.000 24.355 15.622) 28.934 2.866 ( 0.000 -2.864 -2.591) 3.862 2.977 ( 0.000 0.086 16.149) 16.149 3.183 ( 0.000 1.918 -8.715) 8.924 3.310 ( 0.000 -7.754 5.487) 9.498 3.494 ( 0.000 -4.210 -1.457) 4.456 3.715 ( 0.000 -3.374 -6.271) 7.121 4.023 ( 0.000 -2.384 -2.446) 3.415 4.099 ( 0.000 7.200 -4.654) 8.573 4.241 ( 0.000 -5.655 -12.494) 13.715 4.655 ( 0.000 -8.243 -4.900) 9.590 6.570 ( 0.000 9.672 -0.445) 9.682 7.009 ( 0.000 14.665 16.326) 21.945 7.476 ( 0.000 -8.587 28.871) 30.121 7.610 ( 0.000 -1.740 12.240) 12.363 8.150 ( 0.000 -2.499 17.245) 17.426 8.236 ( 0.000 -6.395 -10.220) 12.056 8.781 ( 0.000 7.062 -2.587) 7.521 9.610 ( 0.000 -17.837 -1.133) 17.873 10.052 ( 0.000 -0.549 2.251) 2.317 10.364 ( 0.000 -11.060 -8.754) 14.105 10.390 ( 0.000 1.744 -8.399) 8.578 10.735 ( 0.000 -10.475 -2.974) 10.889 11.154 ( 0.000 17.668 -0.436) 17.674 11.509 ( 0.000 2.681 13.978) 14.233 11.631 ( 0.000 -1.857 4.910) 5.250 12.068 ( 0.000 -2.180 0.634) 2.270 12.479 ( 0.000 6.375 -6.659) 9.219 12.645 ( 0.000 8.689 3.872) 9.513 12.933 ( 0.000 -6.843 2.584) 7.315 13.251 ( 0.000 5.400 2.181) 5.824 13.290 ( 0.000 -0.698 -9.130) 9.156 13.391 ( 0.000 -9.201 -0.548) 9.217 13.602 ( 0.000 -4.432 -0.007) 4.432 13.727 ( 0.000 -4.113 0.808) 4.192 13.907 ( 0.000 3.573 -5.183) 6.295 14.017 ( 0.000 0.041 -7.958) 7.958 14.179 ( 0.000 8.131 10.850) 13.558 14.656 ( 0.000 7.644 2.326) 7.990 14.934 ( 0.000 5.564 6.330) 8.428 15.067 ( 0.000 -0.329 -24.201) 24.203 15.187 ( 0.000 7.792 25.227) 26.403 15.819 ( 0.000 -5.314 22.102) 22.732 15.873 ( 0.000 11.897 9.184) 15.029 16.388 ( 0.000 5.222 -15.956) 16.788 16.462 ( 0.000 17.344 4.040) 17.808 16.858 ( 0.000 6.264 9.033) 10.993 17.677 ( 0.000 -23.801 1.755) 23.865 18.002 ( 0.000 -5.378 -23.402) 24.012 18.023 ( 0.000 4.960 -13.284) 14.180 18.219 ( 0.000 10.049 18.475) 21.032 18.378 ( 0.000 -3.110 1.440) 3.427 18.899 ( 0.000 -27.221 -5.345) 27.741 19.137 ( 0.000 -9.147 -5.530) 10.689 19.435 ( 0.000 -11.155 15.698) 19.258 20.119 ( 0.000 9.975 14.885) 17.918 20.624 ( 0.000 -3.613 16.095) 16.495 21.530 ( 0.000 4.664 18.699) 19.272 21.628 ( 0.000 1.859 5.178) 5.501 ======================= Grid point 145 (52/120) ======================= q-point: ( 0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 3.847 23.625 16.579) 29.117 2.347 ( 9.690 19.480 15.019) 26.438 2.869 ( 0.690 -3.217 -1.015) 3.443 2.986 ( -0.175 -1.540 4.686) 4.936 3.176 ( 0.024 -1.003 -7.617) 7.683 3.378 ( 4.953 -4.427 7.740) 10.200 3.483 ( -1.210 -8.251 -2.662) 8.754 3.701 ( -0.928 -1.131 -3.710) 3.988 3.991 ( -2.614 -1.741 -3.047) 4.376 4.111 ( 0.616 5.210 -3.535) 6.327 4.221 ( -1.822 -3.592 -11.136) 11.842 4.575 ( -6.977 -7.743 -3.803) 11.095 6.631 ( 6.098 10.665 1.613) 12.390 7.071 ( 6.274 17.412 14.562) 23.549 7.481 ( 1.421 -9.427 28.017) 29.594 7.751 ( 11.984 -1.172 6.627) 13.744 8.269 ( 5.023 -2.075 -3.902) 6.691 8.362 ( 16.279 -6.273 11.988) 21.168 8.875 ( 8.551 5.291 0.894) 10.095 9.630 ( 1.216 -16.597 -2.255) 16.793 10.006 ( -7.061 1.673 -2.046) 7.539 10.133 ( -6.899 -5.381 -2.490) 9.097 10.591 ( 6.823 -5.994 -4.827) 10.285 10.763 ( 1.680 -11.755 -5.084) 12.917 11.104 ( -5.174 16.897 -1.373) 17.725 11.325 ( -12.676 5.937 2.687) 14.253 11.579 ( -6.221 -5.993 12.525) 15.215 12.045 ( -3.700 0.872 0.187) 3.806 12.453 ( -4.414 8.157 -4.369) 10.252 12.700 ( 5.379 6.287 4.554) 9.444 12.942 ( -1.778 -5.373 3.579) 6.696 13.105 ( -3.554 4.724 -7.195) 9.312 13.229 ( -6.421 -8.090 -15.657) 18.757 13.398 ( -4.001 -5.532 2.733) 7.354 13.578 ( 4.931 6.102 -3.985) 8.799 13.812 ( 6.387 -2.542 -1.146) 6.969 13.994 ( 2.195 -1.800 -3.814) 4.755 14.218 ( 17.756 -0.507 -0.288) 17.766 14.349 ( 14.300 5.762 10.177) 18.473 14.630 ( -2.350 5.841 -7.832) 10.049 14.968 ( 3.096 6.585 3.288) 7.985 15.157 ( 8.846 0.256 -8.751) 12.445 15.250 ( 5.477 7.787 20.038) 22.185 15.847 ( 1.843 -4.856 10.430) 11.651 15.890 ( 1.987 16.944 6.870) 18.392 16.323 ( -3.950 3.369 12.301) 13.351 16.367 ( -7.650 0.562 -11.581) 13.891 16.912 ( 9.844 12.848 15.874) 22.670 17.586 ( -14.189 7.143 -18.441) 24.339 17.939 ( 9.054 -26.935 3.351) 28.613 18.154 ( 2.160 1.505 -7.373) 7.829 18.294 ( 4.963 7.647 10.537) 13.933 18.487 ( 7.444 -1.857 -4.192) 8.743 18.935 ( 1.369 -28.179 -8.064) 29.342 19.092 ( -4.542 -9.943 -4.690) 11.895 19.496 ( 6.565 -11.828 20.158) 24.276 20.108 ( -0.442 9.920 14.353) 17.453 20.629 ( 0.615 -3.823 14.362) 14.875 21.508 ( -1.395 6.014 12.379) 13.833 21.633 ( 0.272 2.058 3.449) 4.025 ======================= Grid point 146 (53/120) ======================= q-point: ( 0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 12.206 13.908 13.312) 22.795 2.533 ( 7.429 11.278 14.022) 19.468 2.881 ( -0.144 -3.522 0.031) 3.525 2.989 ( 0.958 -3.364 -7.084) 7.901 3.171 ( -0.688 -4.952 -9.154) 10.430 3.396 ( -3.504 -1.511 -2.029) 4.322 3.484 ( 0.916 -13.394 3.805) 13.954 3.698 ( 0.208 -1.272 3.736) 3.952 3.944 ( -1.244 2.116 -3.958) 4.657 4.097 ( -1.678 2.388 -1.461) 3.264 4.162 ( -4.502 0.006 -8.322) 9.462 4.419 ( -6.330 -8.174 -0.475) 10.349 6.833 ( 13.137 13.085 3.880) 18.943 7.272 ( 12.669 19.570 11.824) 26.140 7.578 ( 8.207 -8.153 24.371) 26.977 8.036 ( 13.593 -1.385 -1.286) 13.724 8.387 ( 6.449 2.571 -3.209) 7.648 8.775 ( 20.613 -5.400 12.913) 24.916 9.112 ( 13.396 0.473 6.562) 14.925 9.579 ( -8.011 -6.359 -7.222) 12.521 9.850 ( -3.013 -3.432 -0.070) 4.568 10.076 ( -1.799 -4.619 0.541) 4.986 10.618 ( -5.993 -2.647 1.001) 6.628 10.712 ( -10.742 -4.048 -6.794) 13.340 10.919 ( -4.135 -1.849 -5.854) 7.401 11.198 ( 0.568 12.277 2.032) 12.456 11.407 ( -10.158 -9.431 5.983) 15.097 11.851 ( -13.291 -0.411 5.067) 14.230 12.386 ( -3.520 9.852 -7.781) 13.038 12.605 ( -13.303 9.893 1.357) 16.634 12.902 ( -1.083 -7.510 -0.790) 7.629 13.020 ( -3.666 -4.905 -14.831) 16.046 13.282 ( 6.136 3.974 -8.247) 11.021 13.442 ( 11.135 0.011 0.671) 11.155 13.668 ( 3.050 7.796 -5.193) 9.851 13.955 ( 6.529 -5.368 -2.256) 8.748 14.034 ( 2.691 -3.421 4.019) 5.925 14.423 ( -0.038 -9.175 -3.167) 9.706 14.604 ( 3.492 9.174 -13.582) 16.758 14.790 ( 21.359 4.032 2.457) 21.875 15.043 ( 3.700 8.356 -0.614) 9.159 15.358 ( 8.576 -0.081 12.168) 14.887 15.413 ( 10.210 17.117 1.352) 19.977 15.840 ( -8.704 3.794 -2.635) 9.854 15.940 ( 6.812 0.113 4.096) 7.950 16.197 ( 5.575 12.420 11.174) 17.612 16.495 ( 9.857 -8.998 5.277) 14.351 17.262 ( 7.703 7.949 5.467) 12.345 17.292 ( 4.155 10.423 -1.173) 11.282 18.143 ( 8.850 -28.837 2.889) 30.303 18.171 ( -0.884 -3.196 -4.742) 5.786 18.373 ( 2.481 13.503 14.036) 19.634 18.565 ( -0.852 -7.272 -0.078) 7.322 18.833 ( -11.512 -21.892 -5.262) 25.288 19.017 ( -1.663 -12.036 -6.145) 13.616 19.646 ( 4.577 -16.286 24.309) 29.616 20.139 ( 4.550 11.112 10.090) 15.684 20.670 ( 4.232 -4.128 8.985) 10.756 21.508 ( 1.583 6.992 -2.178) 7.493 21.626 ( -1.343 2.666 -1.139) 3.195 ======================= Grid point 147 (54/120) ======================= q-point: ( 0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 11.872 3.948 7.287) 14.479 2.651 ( 4.074 1.676 8.546) 9.615 2.864 ( -1.647 -2.928 -1.594) 3.718 2.976 ( -3.419 -9.319 -5.414) 11.307 3.170 ( 1.547 -4.349 -8.133) 9.352 3.333 ( -1.392 -0.382 -6.170) 6.337 3.492 ( 0.563 -4.763 3.086) 5.703 3.663 ( -3.514 -5.303 4.829) 7.986 3.911 ( -2.754 4.013 -2.179) 5.332 4.024 ( -6.846 2.631 -5.912) 9.420 4.104 ( 2.260 -1.282 1.131) 2.834 4.326 ( -3.564 -10.605 3.350) 11.678 7.164 ( 17.882 16.643 5.124) 24.960 7.588 ( 17.254 13.732 10.402) 24.382 7.792 ( 9.833 0.913 22.003) 24.117 8.238 ( 4.522 -2.395 -5.756) 7.701 8.553 ( 9.681 7.445 -1.086) 12.261 9.145 ( 13.095 -1.005 14.285) 19.405 9.365 ( 7.779 -9.254 -3.789) 12.669 9.378 ( -8.752 -0.620 -0.159) 8.775 9.844 ( -0.065 -0.956 -3.020) 3.168 10.026 ( -1.651 -1.848 -4.625) 5.247 10.248 ( -17.634 8.310 -4.729) 20.060 10.635 ( 0.578 -11.824 -0.244) 11.840 10.957 ( 3.783 -4.309 -3.999) 6.991 11.157 ( -10.730 -12.268 0.929) 16.325 11.228 ( -1.392 6.329 4.294) 7.774 11.560 ( -13.580 -0.579 4.231) 14.235 12.250 ( -8.200 14.288 -3.052) 16.754 12.316 ( -12.462 9.712 -2.235) 15.957 12.914 ( 1.509 -10.526 -5.594) 12.015 12.963 ( -1.277 -8.761 -9.752) 13.171 13.412 ( 5.748 10.296 -6.603) 13.515 13.598 ( 0.519 10.412 -3.871) 11.120 13.856 ( 15.364 -0.684 -3.842) 15.852 14.024 ( 2.330 -3.894 -5.070) 6.804 14.176 ( 8.849 -4.439 7.060) 12.159 14.344 ( -4.147 -11.686 -8.144) 14.836 14.659 ( -0.972 3.975 -4.932) 6.409 15.026 ( -0.430 0.145 -8.730) 8.741 15.101 ( 2.727 12.086 -5.131) 13.410 15.541 ( -1.782 14.845 -2.658) 15.186 15.671 ( 9.949 13.981 8.278) 19.052 15.682 ( 10.552 6.604 7.574) 14.571 16.117 ( 8.339 -1.318 3.664) 9.203 16.502 ( 16.984 5.276 7.785) 19.414 16.637 ( 5.126 5.221 -2.063) 7.601 17.136 ( 2.542 11.170 -4.645) 12.361 17.790 ( 14.733 -11.569 13.868) 23.307 18.054 ( -10.665 -3.406 -4.370) 12.019 18.330 ( 10.218 -19.187 5.564) 22.439 18.428 ( 2.222 8.648 16.390) 18.664 18.491 ( -2.847 -17.848 5.913) 19.016 18.560 ( -10.845 -16.064 -0.194) 19.383 18.964 ( -3.834 -13.188 0.518) 13.744 19.597 ( -9.458 -17.332 24.590) 31.536 20.370 ( 18.678 12.824 -0.623) 22.665 20.838 ( 11.785 -3.002 0.426) 12.169 21.519 ( -3.080 4.385 -12.146) 13.275 21.561 ( -4.875 3.047 -5.643) 8.056 ======================= Grid point 148 (55/120) ======================= q-point: ( 0.44 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( 7.122 -2.381 -0.173) 7.511 2.722 ( 3.089 -6.083 3.344) 7.598 2.808 ( -2.832 -5.244 -1.907) 6.258 2.864 ( -6.195 -9.049 -0.958) 11.008 3.244 ( 4.788 -1.060 -3.460) 6.002 3.319 ( -1.489 1.514 -5.358) 5.763 3.517 ( 1.841 -1.579 0.995) 2.622 3.576 ( -3.981 -2.975 1.559) 5.209 3.867 ( -0.427 4.167 -2.379) 4.817 3.905 ( -4.002 3.669 -4.358) 6.962 4.170 ( 3.486 -7.566 4.732) 9.581 4.247 ( -3.895 -11.040 5.522) 12.944 7.543 ( 17.272 19.642 8.002) 27.352 7.826 ( -7.433 15.553 15.844) 23.413 7.974 ( 17.551 4.295 8.088) 19.796 8.242 ( -5.522 -3.087 3.686) 7.322 8.787 ( 13.748 4.135 0.068) 14.357 9.110 ( -14.722 0.648 2.822) 15.004 9.328 ( 5.631 0.214 -1.542) 5.843 9.467 ( -3.488 -6.091 -4.664) 8.427 9.750 ( 1.857 3.254 -13.391) 13.906 9.921 ( -9.372 1.291 -1.157) 9.531 10.296 ( 16.255 -3.128 -6.497) 17.783 10.607 ( -8.859 -8.629 -6.765) 14.096 10.925 ( 1.005 -6.902 1.960) 7.245 11.080 ( -6.480 -5.317 5.245) 9.888 11.175 ( 3.758 -2.740 8.239) 9.461 11.326 ( -8.485 -0.006 3.304) 9.106 12.118 ( -3.408 15.537 -2.093) 16.044 12.129 ( -4.762 11.780 -0.718) 12.727 12.937 ( 0.921 -11.899 -7.851) 14.285 12.954 ( -0.438 -11.248 -8.763) 14.265 13.510 ( 3.627 10.838 -5.917) 12.870 13.571 ( -2.291 10.308 -5.423) 11.870 14.057 ( 4.981 -2.349 -4.362) 7.025 14.150 ( -0.082 -2.637 -9.884) 10.230 14.254 ( 7.971 -2.749 -0.851) 8.475 14.406 ( 2.268 -5.498 2.920) 6.625 14.606 ( 2.538 -5.173 -2.026) 6.108 14.844 ( -13.452 -1.631 -6.569) 15.059 15.215 ( 7.239 12.854 -3.805) 15.234 15.383 ( -8.435 12.326 -0.535) 14.946 15.867 ( 8.419 19.756 -1.871) 21.556 15.931 ( 4.096 10.808 6.818) 13.419 16.297 ( 9.295 7.561 0.646) 11.999 16.483 ( -7.889 9.091 -9.817) 15.532 17.062 ( 25.123 4.174 11.891) 28.107 17.360 ( 11.973 -4.079 1.233) 12.708 17.643 ( -15.393 3.099 8.705) 17.954 17.824 ( -15.481 -6.823 1.727) 17.006 18.325 ( -0.965 -14.218 7.649) 16.174 18.374 ( -4.398 -24.096 5.346) 25.071 18.578 ( 6.424 -6.584 7.533) 11.890 18.664 ( 3.356 -8.281 4.489) 9.999 18.960 ( 10.560 -15.314 14.622) 23.660 19.304 ( -17.097 -14.790 19.728) 30.004 20.863 ( 25.460 7.486 -9.434) 28.165 21.126 ( 14.610 -0.408 -5.507) 15.619 21.316 ( -16.107 3.675 -12.746) 20.866 21.404 ( -11.018 1.871 -8.311) 13.927 ======================= Grid point 153 (56/120) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 0.000 21.005 6.976) 22.133 2.601 ( 0.000 13.789 13.184) 19.077 2.825 ( 0.000 -0.701 7.072) 7.107 2.905 ( 0.000 -5.722 -7.965) 9.807 3.106 ( 0.000 -7.460 -11.971) 14.105 3.111 ( 0.000 -10.648 7.155) 12.829 3.527 ( 0.000 6.322 -1.884) 6.597 3.654 ( 0.000 -4.815 -5.137) 7.041 4.010 ( 0.000 2.795 -3.481) 4.464 4.116 ( 0.000 -6.694 -8.910) 11.144 4.275 ( 0.000 10.005 -4.966) 11.170 4.474 ( 0.000 -9.941 -5.143) 11.192 6.805 ( 0.000 16.639 10.345) 19.593 7.184 ( 0.000 -19.513 20.917) 28.605 7.358 ( 0.000 15.404 7.930) 17.326 7.553 ( 0.000 -5.136 5.611) 7.607 8.125 ( 0.000 0.101 16.420) 16.420 8.151 ( 0.000 -2.503 6.483) 6.949 8.958 ( 0.000 11.646 1.405) 11.730 9.249 ( 0.000 -17.580 2.877) 17.814 10.064 ( 0.000 2.433 0.430) 2.470 10.167 ( 0.000 -8.093 -5.635) 9.862 10.443 ( 0.000 4.184 -9.651) 10.519 10.559 ( 0.000 -7.481 -5.041) 9.021 11.474 ( 0.000 8.215 7.183) 10.913 11.564 ( 0.000 -3.834 11.527) 12.148 11.645 ( 0.000 15.557 4.267) 16.131 11.955 ( 0.000 -11.374 -3.274) 11.836 12.609 ( 0.000 6.530 -10.815) 12.633 12.753 ( 0.000 -8.826 -8.716) 12.404 12.864 ( 0.000 13.104 2.244) 13.294 13.133 ( 0.000 -13.637 0.974) 13.672 13.319 ( 0.000 1.486 6.611) 6.776 13.320 ( 0.000 0.897 1.892) 2.094 13.593 ( 0.000 1.713 -1.002) 1.984 13.647 ( 0.000 -3.622 -2.803) 4.580 13.964 ( 0.000 2.314 -10.448) 10.701 14.003 ( 0.000 -1.530 -10.408) 10.520 14.376 ( 0.000 11.402 17.823) 21.158 14.599 ( 0.000 -9.954 18.493) 21.002 15.022 ( 0.000 3.222 -13.057) 13.449 15.058 ( 0.000 -0.825 -20.097) 20.114 15.375 ( 0.000 11.032 29.925) 31.894 15.606 ( 0.000 -12.062 32.340) 34.516 16.320 ( 0.000 27.333 4.117) 27.642 16.497 ( 0.000 5.084 -14.419) 15.290 16.645 ( 0.000 0.533 -13.505) 13.516 17.026 ( 0.000 -34.496 6.172) 35.044 17.288 ( 0.000 36.212 13.308) 38.580 17.935 ( 0.000 -17.856 -2.024) 17.970 18.129 ( 0.000 5.661 -17.326) 18.227 18.279 ( 0.000 -11.695 -10.246) 15.548 18.386 ( 0.000 4.200 6.321) 7.589 18.411 ( 0.000 -6.913 -11.439) 13.366 19.033 ( 0.000 1.073 5.827) 5.925 19.192 ( 0.000 -12.512 19.301) 23.002 20.322 ( 0.000 10.360 16.535) 19.512 20.508 ( 0.000 -8.054 16.385) 18.257 21.611 ( 0.000 3.158 11.820) 12.235 21.646 ( 0.000 -0.326 7.505) 7.512 ======================= Grid point 154 (57/120) ======================= q-point: ( 0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( -0.284 21.389 9.572) 23.435 2.648 ( 2.736 8.367 8.613) 12.316 2.831 ( 0.668 0.672 7.819) 7.876 2.930 ( 2.346 -2.533 -9.115) 9.747 3.073 ( -3.157 -8.780 -10.774) 14.253 3.131 ( 1.369 -13.626 5.647) 14.814 3.504 ( -1.746 6.708 -1.260) 7.045 3.646 ( -1.080 -6.076 -2.609) 6.701 4.014 ( 0.642 4.586 -4.907) 6.747 4.126 ( 0.691 -5.793 -8.724) 10.495 4.247 ( -2.684 8.086 -3.970) 9.399 4.413 ( -5.501 -8.560 -4.216) 11.014 6.868 ( 6.236 15.421 10.709) 19.784 7.204 ( 3.340 -16.494 19.332) 25.631 7.472 ( 9.247 17.020 6.509) 20.434 7.698 ( 12.433 -5.888 2.269) 13.943 8.240 ( 8.606 0.390 7.833) 11.643 8.281 ( 13.966 -2.799 15.836) 21.300 9.011 ( 5.064 9.592 3.517) 11.403 9.278 ( 2.859 -17.207 3.424) 17.776 10.036 ( -5.225 0.913 -0.464) 5.324 10.056 ( -6.169 -2.028 -3.591) 7.421 10.509 ( 3.905 -0.855 -7.926) 8.877 10.575 ( 1.300 -7.052 -5.722) 9.174 11.345 ( -11.990 5.896 4.375) 14.059 11.432 ( -8.607 -2.550 7.082) 11.434 11.621 ( -3.932 17.362 2.526) 17.980 11.946 ( -3.508 -11.808 -0.957) 12.356 12.627 ( -2.369 8.752 -4.409) 10.082 12.785 ( -0.351 -6.301 -1.693) 6.534 12.844 ( 2.044 6.141 -5.030) 8.197 13.022 ( -2.696 -10.360 -7.422) 13.026 13.221 ( -4.828 5.684 -3.198) 8.115 13.320 ( -3.030 -4.062 0.827) 5.135 13.680 ( 8.824 3.711 -1.687) 9.721 13.748 ( 9.173 -3.677 -1.607) 10.012 14.026 ( -0.381 5.301 -7.044) 8.825 14.153 ( 8.078 -6.017 -6.569) 12.025 14.482 ( 12.582 7.364 15.847) 21.533 14.615 ( 3.732 -5.401 8.207) 10.510 15.061 ( 3.856 3.462 -7.144) 8.826 15.117 ( 5.845 -2.583 -7.347) 9.737 15.466 ( 8.746 11.741 24.467) 28.513 15.689 ( 7.524 -10.480 26.989) 29.914 16.219 ( -8.979 10.886 -1.171) 14.160 16.337 ( -13.483 -2.567 -7.617) 15.697 16.572 ( 1.425 23.338 -1.114) 23.408 17.146 ( 6.436 -23.766 1.684) 24.679 17.439 ( 11.475 20.956 10.324) 26.027 17.820 ( -10.342 3.524 -13.558) 17.412 18.052 ( -2.324 -7.999 -7.780) 11.398 18.258 ( -0.504 -25.713 -5.955) 26.398 18.543 ( 9.538 5.655 -8.860) 14.193 18.585 ( 10.734 3.769 1.300) 11.451 18.974 ( -5.368 1.671 6.969) 8.954 19.200 ( 1.498 -16.481 22.430) 27.875 20.317 ( 0.004 10.673 15.105) 18.495 20.508 ( 0.283 -8.276 14.816) 16.973 21.609 ( 0.059 3.867 7.532) 8.467 21.652 ( 0.478 -0.475 4.855) 4.902 ======================= Grid point 155 (58/120) ======================= q-point: ( 0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 2.514 15.859 9.123) 18.468 2.683 ( 0.450 2.044 4.054) 4.563 2.841 ( -0.463 -0.084 4.908) 4.930 2.957 ( -4.302 0.007 -8.941) 9.922 3.020 ( 2.749 -7.259 -5.519) 9.524 3.167 ( 2.668 -12.990 1.828) 13.386 3.473 ( -1.034 5.492 0.867) 5.656 3.605 ( -2.564 -6.935 0.881) 7.447 4.033 ( 0.652 5.661 -6.067) 8.323 4.128 ( -0.914 -3.280 -7.778) 8.491 4.166 ( -4.719 4.201 -2.006) 6.629 4.271 ( -7.170 -6.512 -1.906) 9.871 7.072 ( 13.327 13.125 9.846) 21.138 7.348 ( 10.464 -13.948 16.855) 24.251 7.713 ( 13.347 20.416 4.213) 24.753 7.984 ( 13.157 -6.746 -1.987) 14.919 8.489 ( 14.264 7.951 8.563) 18.440 8.654 ( 19.914 -7.314 13.139) 24.954 9.158 ( 8.257 5.667 6.850) 12.133 9.365 ( 4.797 -13.931 3.077) 15.052 9.839 ( -9.010 3.903 -1.812) 9.985 9.963 ( -5.973 -7.023 0.185) 9.221 10.539 ( -0.476 -0.239 -5.552) 5.577 10.610 ( 0.386 -6.219 -6.125) 8.737 11.036 ( -15.511 9.345 -2.345) 18.260 11.221 ( -13.102 -9.423 1.866) 16.247 11.500 ( -5.524 16.578 2.357) 17.632 11.768 ( -11.655 -9.092 1.987) 14.914 12.573 ( -2.479 8.869 -4.999) 10.478 12.734 ( -4.635 -5.417 -3.232) 7.827 12.770 ( -8.107 4.020 -4.895) 10.288 12.900 ( -7.374 -6.827 -11.543) 15.305 13.368 ( 13.790 4.678 -2.126) 14.716 13.435 ( 14.601 -1.514 -2.051) 14.822 13.828 ( 4.190 5.126 -4.397) 7.948 13.918 ( 5.675 -4.918 -2.339) 7.866 13.948 ( -4.030 6.057 -1.732) 7.478 14.181 ( -3.242 -13.816 -3.226) 14.553 14.763 ( 7.619 6.550 -5.442) 11.426 14.840 ( 14.828 -0.609 -0.339) 14.845 15.187 ( 8.833 7.540 0.736) 11.637 15.321 ( 13.815 -4.760 8.244) 16.778 15.715 ( 13.010 11.189 14.174) 22.257 15.859 ( 6.569 -4.299 9.475) 12.305 15.998 ( -8.236 9.248 -0.610) 12.399 16.216 ( 4.403 -11.419 3.494) 12.727 16.695 ( 9.759 28.702 7.031) 31.120 17.273 ( 6.741 -20.368 3.532) 21.743 17.597 ( -9.332 15.626 -14.644) 23.360 17.693 ( 11.784 1.977 9.598) 15.326 17.982 ( -4.575 -10.535 -10.937) 15.860 18.243 ( -2.839 -27.249 -0.719) 27.406 18.622 ( -2.143 6.454 -3.375) 7.592 18.769 ( 4.932 4.969 4.134) 8.131 18.834 ( -6.795 7.033 12.553) 15.912 19.254 ( 1.966 -22.198 23.917) 32.690 20.363 ( 5.640 10.845 9.463) 15.459 20.550 ( 4.894 -7.987 9.251) 13.165 21.618 ( 0.457 3.877 -1.651) 4.239 21.656 ( -0.557 -0.015 -1.299) 1.413 ======================= Grid point 156 (59/120) ======================= q-point: ( 0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 2.544 6.444 6.194) 9.293 2.675 ( -0.852 0.061 1.355) 1.602 2.792 ( -3.835 -4.287 0.453) 5.769 2.829 ( -6.384 -5.040 -5.026) 9.561 3.128 ( 6.495 2.563 -1.223) 7.089 3.255 ( 5.431 -7.979 -1.379) 9.750 3.458 ( -0.743 2.861 2.966) 4.188 3.551 ( -2.652 -5.653 2.162) 6.608 4.010 ( -3.086 5.700 -2.900) 7.101 4.065 ( -4.176 1.371 -5.658) 7.165 4.091 ( -2.369 -0.446 -3.145) 3.962 4.146 ( -4.488 -7.461 0.242) 8.710 7.418 ( 19.248 11.180 8.356) 23.775 7.629 ( 15.832 -9.413 14.669) 23.546 7.993 ( 11.996 16.489 6.743) 21.477 8.197 ( 6.140 -4.287 0.435) 7.501 8.779 ( 12.067 13.949 5.208) 19.165 9.042 ( 15.577 -11.167 7.501) 20.582 9.286 ( 1.896 4.274 0.218) 4.681 9.389 ( -4.226 -1.207 -0.147) 4.398 9.784 ( 2.968 -3.336 1.297) 4.650 9.848 ( 0.590 -10.695 -0.208) 10.713 10.433 ( -17.485 8.055 -10.217) 21.794 10.519 ( -2.357 -1.655 -6.635) 7.233 10.866 ( -0.267 -2.591 -3.443) 4.317 10.935 ( -9.238 -9.042 0.990) 12.965 11.385 ( -7.668 8.740 5.885) 13.032 11.524 ( -11.431 -4.336 2.973) 12.582 12.478 ( -5.986 10.289 -1.484) 11.996 12.545 ( -7.913 11.504 -6.275) 15.307 12.703 ( -1.800 -10.038 -5.168) 11.433 12.781 ( -3.986 -9.991 -9.294) 14.216 13.622 ( 8.483 10.425 -0.938) 13.473 13.782 ( 13.429 -0.518 -4.462) 14.160 13.833 ( -0.938 5.595 -2.666) 6.268 13.947 ( 4.848 -2.169 -5.591) 7.711 14.048 ( 8.986 -5.435 -1.158) 10.566 14.107 ( -2.689 -11.692 -5.431) 13.169 14.787 ( -5.662 8.403 -2.495) 10.435 14.952 ( -4.249 -7.375 -1.778) 8.695 15.387 ( 8.722 16.120 -6.043) 19.299 15.634 ( 12.430 -5.590 0.399) 13.635 15.844 ( 3.439 9.784 3.804) 11.047 15.997 ( 6.936 -3.375 6.886) 10.340 16.122 ( 16.483 18.159 1.763) 24.587 16.425 ( 13.479 -9.895 1.149) 16.760 16.946 ( 12.322 22.374 8.769) 27.006 17.398 ( -7.497 0.505 -8.023) 10.992 17.460 ( 8.826 -7.550 4.089) 12.313 17.791 ( -7.560 -18.883 -9.771) 22.566 18.025 ( 11.836 -5.888 12.093) 17.916 18.135 ( -6.180 -14.304 6.321) 16.816 18.498 ( -6.824 7.258 5.486) 11.373 18.692 ( -5.425 -8.305 6.221) 11.710 18.794 ( -3.132 16.452 15.994) 23.158 19.206 ( -7.143 -21.520 21.437) 31.204 20.592 ( 16.352 9.649 0.604) 18.996 20.748 ( 13.982 -6.215 0.762) 15.320 21.588 ( -4.710 2.284 -8.475) 9.962 21.602 ( -5.081 0.835 -6.515) 8.304 ======================= Grid point 157 (60/120) ======================= q-point: ( 0.44 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 2.339 -0.451 2.698) 3.600 2.666 ( 0.286 -1.125 -0.728) 1.370 2.711 ( -3.445 -4.489 1.110) 5.767 2.717 ( -3.770 -4.217 -2.755) 6.291 3.273 ( 6.800 4.153 0.502) 7.984 3.359 ( 2.044 0.382 -3.081) 3.717 3.428 ( -0.638 -3.700 5.293) 6.489 3.489 ( -3.409 -5.193 1.329) 6.353 3.958 ( -0.767 4.986 -2.100) 5.464 3.985 ( -3.034 4.175 -3.640) 6.315 4.058 ( -0.571 -4.707 -1.426) 4.952 4.076 ( -2.259 -6.232 0.071) 6.629 7.833 ( 18.747 10.021 8.809) 23.011 7.963 ( 14.075 -2.351 14.940) 20.660 8.116 ( -2.760 8.110 10.681) 13.692 8.201 ( -5.682 -1.519 7.963) 9.900 8.980 ( 8.676 14.322 0.508) 16.752 9.176 ( -8.283 5.708 -2.756) 10.430 9.269 ( 3.372 -11.779 -2.266) 12.460 9.311 ( -1.219 -4.326 -3.967) 5.995 9.845 ( 6.604 7.385 -5.678) 11.419 10.048 ( -4.807 5.426 -10.029) 12.374 10.100 ( 4.576 -7.656 -7.595) 11.714 10.366 ( -11.795 -15.589 -13.026) 23.491 10.884 ( 7.878 4.078 5.640) 10.512 11.017 ( 9.230 -6.777 5.223) 12.585 11.146 ( -13.246 5.018 9.330) 16.962 11.275 ( -12.691 -5.619 5.978) 15.112 12.398 ( -0.866 14.719 -2.922) 15.032 12.430 ( -3.517 15.349 -4.933) 16.502 12.686 ( 0.362 -13.614 -6.140) 14.939 12.716 ( -2.375 -13.068 -7.389) 15.199 13.727 ( 3.066 10.697 -3.583) 11.691 13.782 ( -2.282 10.876 -6.703) 12.978 13.925 ( 2.977 -9.037 -4.576) 10.558 13.996 ( -3.365 -10.461 -7.295) 13.190 14.248 ( 15.285 2.902 -2.093) 15.698 14.343 ( 16.752 -5.302 1.188) 17.611 14.574 ( -12.838 4.449 -0.900) 13.617 14.720 ( -15.784 -8.635 0.033) 17.992 15.580 ( 9.604 21.233 -4.974) 23.829 15.735 ( -3.115 18.368 -2.215) 18.762 15.955 ( 6.498 -9.005 1.225) 11.172 16.057 ( -1.826 -7.124 3.686) 8.226 16.516 ( 18.967 20.334 -7.135) 28.707 16.709 ( 7.534 9.104 -6.942) 13.705 17.072 ( -0.104 -2.287 -3.205) 3.938 17.218 ( -9.056 -11.807 -2.070) 15.023 17.674 ( 8.273 0.245 7.885) 11.431 17.707 ( 4.971 -4.360 7.686) 10.139 17.999 ( -6.608 -9.260 9.745) 14.979 18.029 ( -10.423 -10.070 11.373) 18.422 18.565 ( 7.792 0.113 8.661) 11.651 18.644 ( 1.558 1.852 12.916) 13.141 18.710 ( 0.808 -1.578 13.799) 13.912 18.974 ( -14.205 -17.372 17.428) 28.413 21.001 ( 20.862 6.091 -6.443) 22.668 21.093 ( 17.471 -3.157 -5.472) 18.578 21.386 ( -14.595 2.931 -9.549) 17.686 21.420 ( -12.737 -0.426 -8.260) 15.187 ======================= Grid point 189 (61/120) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 0.000 0.000 28.449) 28.449 2.067 ( 0.000 0.000 28.106) 28.106 2.782 ( 0.000 0.000 -8.512) 8.512 3.038 ( 0.000 0.000 3.607) 3.607 3.370 ( 0.000 0.000 -5.384) 5.384 3.705 ( 0.000 0.000 3.193) 3.193 3.712 ( 0.000 0.000 -6.273) 6.273 3.719 ( 0.000 0.000 23.646) 23.646 3.768 ( 0.000 0.000 -15.606) 15.606 3.995 ( 0.000 0.000 6.625) 6.625 4.007 ( 0.000 0.000 -17.861) 17.861 4.744 ( 0.000 0.000 -5.245) 5.245 6.270 ( 0.000 0.000 13.757) 13.757 7.455 ( 0.000 0.000 19.590) 19.590 7.757 ( 0.000 0.000 8.441) 8.441 7.971 ( 0.000 0.000 -14.299) 14.299 8.453 ( 0.000 0.000 -1.913) 1.913 8.494 ( 0.000 0.000 33.209) 33.209 8.582 ( 0.000 0.000 18.986) 18.986 9.821 ( 0.000 0.000 -6.525) 6.525 9.868 ( 0.000 0.000 -10.254) 10.254 10.377 ( 0.000 0.000 1.107) 1.107 10.547 ( 0.000 0.000 -5.015) 5.015 10.851 ( 0.000 0.000 -16.944) 16.944 11.129 ( 0.000 0.000 16.400) 16.400 11.222 ( 0.000 0.000 -14.258) 14.258 11.268 ( 0.000 0.000 -20.485) 20.485 12.408 ( 0.000 0.000 1.156) 1.156 12.511 ( 0.000 0.000 7.758) 7.758 12.596 ( 0.000 0.000 -10.834) 10.834 12.813 ( 0.000 0.000 17.365) 17.365 12.950 ( 0.000 0.000 2.633) 2.633 13.329 ( 0.000 0.000 -3.695) 3.695 13.510 ( 0.000 0.000 0.538) 0.538 13.786 ( 0.000 0.000 -5.208) 5.208 13.814 ( 0.000 0.000 -12.881) 12.881 13.986 ( 0.000 0.000 9.786) 9.786 13.989 ( 0.000 0.000 -0.726) 0.726 14.147 ( 0.000 0.000 8.195) 8.195 14.212 ( 0.000 0.000 8.346) 8.346 14.703 ( 0.000 0.000 -7.216) 7.216 14.787 ( 0.000 0.000 13.971) 13.971 15.529 ( 0.000 0.000 27.830) 27.830 15.737 ( 0.000 0.000 -13.543) 13.543 15.899 ( 0.000 0.000 -19.694) 19.694 15.929 ( 0.000 0.000 3.119) 3.119 16.558 ( 0.000 0.000 7.150) 7.150 17.046 ( 0.000 0.000 -32.689) 32.689 17.618 ( 0.000 0.000 -17.808) 17.808 17.693 ( 0.000 0.000 57.807) 57.807 18.293 ( 0.000 0.000 -13.507) 13.507 18.452 ( 0.000 0.000 22.576) 22.576 18.997 ( 0.000 0.000 3.505) 3.505 19.230 ( 0.000 0.000 3.796) 3.796 19.344 ( 0.000 0.000 -3.588) 3.588 19.507 ( 0.000 0.000 -13.370) 13.370 20.144 ( 0.000 0.000 21.589) 21.589 21.036 ( 0.000 0.000 17.490) 17.490 21.628 ( 0.000 0.000 2.062) 2.062 21.905 ( 0.000 0.000 16.612) 16.612 ======================= Grid point 190 (62/120) ======================= q-point: ( 0.11 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 10.355 0.000 22.238) 24.531 2.185 ( 10.589 0.000 24.567) 26.752 2.796 ( 1.396 0.000 -8.615) 8.727 3.060 ( 1.968 0.000 3.721) 4.209 3.345 ( -5.720 0.000 -4.925) 7.548 3.642 ( 4.522 0.000 12.520) 13.312 3.663 ( -4.406 0.000 -6.146) 7.562 3.740 ( -2.769 0.000 1.140) 2.994 3.836 ( 3.753 0.000 -8.695) 9.471 3.943 ( -6.048 0.000 -17.010) 18.053 4.093 ( 8.143 0.000 10.778) 13.508 4.698 ( -3.394 0.000 -3.416) 4.815 6.340 ( 6.452 0.000 13.685) 15.129 7.381 ( -3.284 0.000 23.861) 24.085 7.895 ( 10.121 0.000 0.653) 10.142 7.985 ( 0.718 0.000 -12.270) 12.291 8.372 ( -3.063 0.000 26.425) 26.602 8.631 ( 14.741 0.000 -0.758) 14.761 8.869 ( 18.649 0.000 21.353) 28.351 9.745 ( -6.546 0.000 -6.611) 9.304 9.844 ( -2.494 0.000 -7.333) 7.746 10.317 ( -3.982 0.000 1.113) 4.135 10.629 ( 1.167 0.000 -5.602) 5.722 10.798 ( -3.903 0.000 -10.236) 10.955 10.966 ( -8.881 0.000 -15.577) 17.930 11.117 ( -1.477 0.000 6.747) 6.907 11.507 ( 11.386 0.000 -15.073) 18.890 12.258 ( -10.915 0.000 2.032) 11.102 12.392 ( -17.880 0.000 -10.194) 20.582 12.441 ( -8.293 0.000 9.568) 12.662 12.872 ( 2.632 0.000 8.260) 8.669 12.981 ( 2.365 0.000 -0.365) 2.393 13.269 ( -1.933 0.000 0.521) 2.002 13.371 ( -7.379 0.000 0.472) 7.394 13.643 ( -3.976 0.000 -4.471) 5.983 14.023 ( 8.205 0.000 -13.771) 16.030 14.054 ( -1.556 0.000 1.713) 2.314 14.121 ( 12.434 0.000 12.861) 17.889 14.176 ( 3.940 0.000 -2.488) 4.660 14.405 ( 16.804 0.000 4.622) 17.428 14.724 ( -4.658 0.000 14.393) 15.128 14.756 ( 5.549 0.000 -4.950) 7.436 15.697 ( 14.319 0.000 21.246) 25.621 15.707 ( -10.483 0.000 -4.989) 11.609 15.797 ( 5.483 0.000 -6.408) 8.434 16.132 ( 11.501 0.000 -11.733) 16.430 16.515 ( -2.149 0.000 13.302) 13.475 16.826 ( -16.463 0.000 -28.576) 32.979 17.768 ( 7.378 0.000 49.504) 50.051 17.787 ( 11.499 0.000 -18.814) 22.050 18.362 ( -1.885 0.000 11.317) 11.473 18.433 ( 10.632 0.000 2.506) 10.923 19.018 ( 1.992 0.000 3.659) 4.166 19.356 ( 1.101 0.000 -3.138) 3.326 19.367 ( -7.650 0.000 -12.359) 14.535 19.571 ( 19.101 0.000 4.410) 19.604 20.137 ( 0.889 0.000 15.353) 15.379 21.000 ( -3.229 0.000 15.943) 16.266 21.596 ( -3.006 0.000 0.761) 3.101 21.754 ( -14.021 0.000 14.631) 20.265 ======================= Grid point 191 (63/120) ======================= q-point: ( 0.22 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 10.918 0.000 9.470) 14.453 2.463 ( 14.643 0.000 16.811) 22.294 2.844 ( 3.365 0.000 -9.238) 9.832 3.112 ( 2.799 0.000 3.863) 4.770 3.179 ( -8.176 0.000 -1.465) 8.306 3.546 ( -6.292 0.000 -5.623) 8.438 3.632 ( -6.924 0.000 0.659) 6.955 3.766 ( -10.291 0.000 -14.697) 17.942 3.787 ( 5.258 0.000 -2.055) 5.646 3.906 ( 1.148 0.000 -5.056) 5.184 4.271 ( 9.668 0.000 15.518) 18.283 4.677 ( 2.762 0.000 1.377) 3.087 6.530 ( 11.469 0.000 13.208) 17.493 7.395 ( 5.170 0.000 21.896) 22.498 7.959 ( -4.105 0.000 -6.173) 7.413 8.130 ( 11.938 0.000 -1.949) 12.096 8.408 ( 6.410 0.000 19.671) 20.690 8.966 ( 15.758 0.000 -2.677) 15.984 9.297 ( 21.131 0.000 15.454) 26.180 9.580 ( -8.635 0.000 -8.464) 12.092 9.760 ( -5.396 0.000 -0.035) 5.396 10.179 ( -13.482 0.000 -3.543) 13.940 10.410 ( -11.893 0.000 2.567) 12.167 10.732 ( -1.838 0.000 -4.766) 5.108 11.048 ( 9.868 0.000 -9.636) 13.792 11.066 ( -3.345 0.000 -4.417) 5.540 11.700 ( 6.211 0.000 -8.551) 10.569 11.893 ( -27.721 0.000 -16.447) 32.233 12.026 ( -10.313 0.000 -1.801) 10.469 12.221 ( -10.857 0.000 11.414) 15.753 12.926 ( 3.671 0.000 6.183) 7.191 13.000 ( -0.362 0.000 -2.083) 2.115 13.298 ( 2.886 0.000 3.922) 4.869 13.304 ( -0.523 0.000 -5.154) 5.181 13.613 ( 0.588 0.000 -2.403) 2.474 13.918 ( -5.312 0.000 2.259) 5.772 14.151 ( 5.332 0.000 -12.828) 13.892 14.335 ( 6.413 0.000 -13.043) 14.535 14.349 ( 2.984 0.000 7.568) 8.135 14.669 ( 6.690 0.000 -8.078) 10.488 14.716 ( 8.982 0.000 16.565) 18.844 14.956 ( 11.146 0.000 -1.904) 11.308 15.507 ( -5.641 0.000 2.558) 6.194 15.852 ( 0.911 0.000 -10.303) 10.344 16.135 ( 23.815 0.000 25.760) 35.082 16.354 ( 6.739 0.000 0.387) 6.750 16.472 ( -15.697 0.000 -21.477) 26.602 16.570 ( 10.100 0.000 9.992) 14.208 17.980 ( 5.522 0.000 -14.338) 15.365 17.981 ( 11.495 0.000 29.594) 31.748 18.400 ( 7.401 0.000 15.962) 17.595 18.802 ( 22.685 0.000 0.031) 22.685 19.074 ( -17.579 0.000 -6.556) 18.762 19.079 ( 3.774 0.000 4.018) 5.513 19.386 ( 1.503 0.000 -1.685) 2.258 19.799 ( -0.449 0.000 15.858) 15.864 20.328 ( 15.552 0.000 -2.581) 15.764 20.923 ( -3.356 0.000 10.765) 11.276 21.360 ( -21.918 0.000 6.584) 22.885 21.503 ( -5.885 0.000 -2.580) 6.426 ======================= Grid point 192 (64/120) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( 8.659 0.000 -1.419) 8.774 2.750 ( 11.982 0.000 8.430) 14.651 2.937 ( 4.387 0.000 -12.593) 13.336 3.029 ( -5.231 0.000 -0.497) 5.255 3.163 ( 1.512 0.000 3.505) 3.817 3.417 ( -5.770 0.000 -5.290) 7.828 3.474 ( -7.838 0.000 -2.180) 8.136 3.552 ( -8.856 0.000 -10.285) 13.573 3.819 ( -2.755 0.000 -5.071) 5.771 3.847 ( -3.727 0.000 -0.373) 3.746 4.522 ( 12.569 0.000 16.165) 20.477 4.774 ( 4.571 0.000 6.186) 7.691 6.809 ( 15.082 0.000 11.695) 19.086 7.605 ( 14.826 0.000 13.965) 20.368 7.797 ( -11.332 0.000 -0.745) 11.356 8.363 ( 8.750 0.000 0.739) 8.781 8.627 ( 14.065 0.000 14.880) 20.475 9.235 ( 5.937 0.000 -14.293) 15.477 9.406 ( -5.946 0.000 -13.931) 15.147 9.573 ( -6.719 0.000 5.232) 8.516 9.753 ( 15.812 0.000 8.202) 17.812 9.799 ( -14.856 0.000 9.320) 17.538 10.266 ( -6.168 0.000 10.330) 12.031 10.724 ( -0.386 0.000 -6.573) 6.585 10.961 ( -7.355 0.000 -8.229) 11.037 11.222 ( 6.675 0.000 -2.854) 7.259 11.352 ( -20.322 0.000 -15.601) 25.620 11.768 ( 1.602 0.000 0.297) 1.630 11.825 ( -9.718 0.000 -1.864) 9.896 12.026 ( -7.890 0.000 4.847) 9.260 13.011 ( 1.910 0.000 -6.209) 6.496 13.033 ( 6.157 0.000 6.093) 8.663 13.254 ( -4.567 0.000 -8.851) 9.960 13.331 ( -0.323 0.000 3.393) 3.408 13.656 ( 3.568 0.000 -1.647) 3.930 13.946 ( 8.007 0.000 -4.608) 9.238 14.166 ( -7.541 0.000 -1.543) 7.697 14.397 ( 9.726 0.000 -6.601) 11.754 14.418 ( 1.869 0.000 -14.164) 14.286 14.718 ( -0.710 0.000 -11.751) 11.773 14.964 ( -9.293 0.000 -13.281) 16.210 15.002 ( 11.620 0.000 10.295) 15.525 15.656 ( 17.033 0.000 17.357) 24.318 15.782 ( -5.345 0.000 -8.979) 10.450 16.217 ( -9.023 0.000 -8.032) 12.080 16.393 ( -1.969 0.000 16.970) 17.084 16.682 ( 27.600 0.000 21.996) 35.293 16.914 ( 20.737 0.000 -0.648) 20.747 17.978 ( -6.223 0.000 -4.692) 7.794 18.199 ( 7.657 0.000 15.835) 17.589 18.556 ( -8.350 0.000 -14.577) 16.800 18.734 ( 3.019 0.000 15.763) 16.049 19.172 ( 4.962 0.000 4.291) 6.560 19.283 ( 13.218 0.000 7.912) 15.405 19.403 ( -0.258 0.000 1.005) 1.038 19.837 ( 13.822 0.000 7.810) 15.876 20.420 ( -13.265 0.000 13.363) 18.828 20.894 ( 1.286 0.000 2.065) 2.432 20.996 ( -8.626 0.000 -18.404) 20.325 21.353 ( -8.321 0.000 -6.374) 10.482 ======================= Grid point 193 (65/120) ======================= q-point: ( 0.44 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( 8.462 0.000 -7.706) 11.445 2.845 ( -8.216 0.000 -9.428) 12.505 2.956 ( 8.330 0.000 1.414) 8.449 3.117 ( -6.475 0.000 -0.167) 6.477 3.121 ( 8.622 0.000 -4.682) 9.812 3.306 ( -8.510 0.000 -3.915) 9.367 3.359 ( 1.394 0.000 -3.168) 3.461 3.424 ( -4.126 0.000 -3.887) 5.669 3.752 ( -0.804 0.000 -0.973) 1.262 3.786 ( -3.007 0.000 -1.283) 3.269 4.735 ( 7.257 0.000 13.722) 15.523 4.819 ( -0.755 0.000 10.459) 10.486 7.149 ( 17.085 0.000 8.631) 19.141 7.503 ( -16.168 0.000 4.206) 16.706 7.989 ( 20.697 0.000 5.386) 21.386 8.367 ( -11.225 0.000 2.290) 11.457 8.968 ( 17.699 0.000 12.750) 21.813 9.183 ( 0.331 0.000 -19.401) 19.404 9.305 ( -8.042 0.000 -13.665) 15.855 9.323 ( -15.311 0.000 11.000) 18.852 9.809 ( 12.011 0.000 16.687) 20.560 10.079 ( -11.796 0.000 11.945) 16.787 10.109 ( 17.347 0.000 -4.988) 18.050 10.496 ( -19.081 0.000 -13.280) 23.247 10.943 ( 6.165 0.000 -4.988) 7.931 11.094 ( -7.811 0.000 -8.193) 11.319 11.376 ( 9.089 0.000 4.453) 10.121 11.600 ( -11.537 0.000 4.617) 12.426 11.810 ( 2.713 0.000 0.616) 2.782 11.889 ( -5.069 0.000 -1.256) 5.222 13.070 ( 3.368 0.000 -10.615) 11.136 13.152 ( -4.560 0.000 -11.236) 12.126 13.167 ( 6.273 0.000 5.050) 8.053 13.280 ( -4.257 0.000 3.812) 5.715 13.770 ( 7.455 0.000 -0.866) 7.506 13.961 ( -10.310 0.000 0.480) 10.321 14.186 ( 13.006 0.000 -10.058) 16.441 14.399 ( -5.222 0.000 -13.103) 14.105 14.688 ( -0.688 0.000 -12.190) 12.210 14.689 ( 16.312 0.000 -10.871) 19.602 14.755 ( -7.783 0.000 -12.654) 14.856 15.005 ( -11.162 0.000 -6.971) 13.160 15.813 ( 8.907 0.000 2.871) 9.358 16.016 ( 15.543 0.000 19.386) 24.847 16.030 ( -9.948 0.000 2.135) 10.175 16.277 ( -9.148 0.000 20.109) 22.092 17.250 ( 25.812 0.000 15.602) 30.161 17.405 ( 25.755 0.000 -2.363) 25.863 17.719 ( -18.122 0.000 6.433) 19.230 17.955 ( -25.395 0.000 -2.759) 25.544 18.587 ( 13.209 0.000 4.828) 14.064 18.830 ( -5.590 0.000 2.162) 5.993 19.277 ( 4.894 0.000 4.320) 6.528 19.366 ( -3.250 0.000 3.494) 4.772 19.471 ( 15.770 0.000 19.882) 25.377 19.943 ( -26.087 0.000 17.650) 31.497 20.367 ( 27.801 0.000 -11.775) 30.192 20.817 ( -13.915 0.000 -21.561) 25.661 20.985 ( 7.111 0.000 -5.733) 9.134 21.165 ( -9.348 0.000 -8.281) 12.488 ======================= Grid point 198 (66/120) ======================= q-point: ( 0.00 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 0.000 11.951 24.340) 27.115 2.175 ( 0.000 10.037 20.917) 23.200 2.760 ( 0.000 -1.351 -8.011) 8.124 3.064 ( 0.000 1.644 1.475) 2.209 3.364 ( 0.000 -2.277 -6.761) 7.134 3.509 ( 0.000 -9.801 10.357) 14.260 3.611 ( 0.000 -7.843 -0.116) 7.844 3.687 ( 0.000 -5.312 -3.902) 6.591 3.900 ( 0.000 5.758 -7.105) 9.145 3.997 ( 0.000 0.805 6.988) 7.034 4.032 ( 0.000 1.454 -12.969) 13.051 4.687 ( 0.000 -5.545 -5.682) 7.939 6.406 ( 0.000 12.307 11.599) 16.911 7.380 ( 0.000 -4.333 23.305) 23.704 7.747 ( 0.000 -1.026 5.317) 5.415 8.009 ( 0.000 2.057 -15.252) 15.390 8.395 ( 0.000 -8.135 37.456) 38.329 8.441 ( 0.000 -0.766 4.400) 4.466 8.666 ( 0.000 7.118 13.384) 15.159 9.755 ( 0.000 -6.382 -6.357) 9.008 9.918 ( 0.000 4.753 -8.807) 10.008 10.391 ( 0.000 -0.991 2.433) 2.627 10.413 ( 0.000 -10.983 -8.349) 13.796 10.796 ( 0.000 -5.283 -10.161) 11.452 11.015 ( 0.000 -1.587 2.325) 2.815 11.356 ( 0.000 10.765 -14.387) 17.969 11.475 ( 0.000 12.678 -5.641) 13.876 12.329 ( 0.000 -9.918 5.171) 11.185 12.343 ( 0.000 -5.320 -0.518) 5.345 12.719 ( 0.000 -2.850 10.763) 11.134 12.814 ( 0.000 11.573 -14.068) 18.217 13.162 ( 0.000 14.144 8.160) 16.329 13.184 ( 0.000 -12.469 -2.420) 12.702 13.539 ( 0.000 0.407 3.018) 3.046 13.762 ( 0.000 -14.923 -3.978) 15.444 13.767 ( 0.000 -2.107 -7.511) 7.800 13.878 ( 0.000 -7.688 3.929) 8.633 13.900 ( 0.000 5.564 -6.327) 8.425 14.280 ( 0.000 10.425 14.551) 17.900 14.298 ( 0.000 9.321 2.890) 9.759 14.712 ( 0.000 0.840 -7.535) 7.581 15.012 ( 0.000 15.967 13.430) 20.864 15.591 ( 0.000 6.212 28.646) 29.312 15.726 ( 0.000 2.200 -9.263) 9.521 15.942 ( 0.000 4.380 -18.512) 19.023 15.961 ( 0.000 2.033 4.878) 5.285 16.583 ( 0.000 1.905 3.683) 4.147 17.137 ( 0.000 8.892 -31.024) 32.273 17.560 ( 0.000 -6.370 24.902) 25.704 17.702 ( 0.000 2.184 14.337) 14.503 18.273 ( 0.000 -2.095 -13.943) 14.099 18.455 ( 0.000 0.333 17.720) 17.723 18.552 ( 0.000 -31.554 3.946) 31.799 19.212 ( 0.000 -12.620 -6.218) 14.069 19.257 ( 0.000 -7.050 -0.298) 7.056 19.619 ( 0.000 8.959 0.992) 9.013 20.245 ( 0.000 8.953 20.455) 22.329 21.010 ( 0.000 -2.542 16.816) 17.007 21.653 ( 0.000 2.385 2.122) 3.192 21.889 ( 0.000 -1.514 15.082) 15.158 ======================= Grid point 199 (67/120) ======================= q-point: ( 0.11 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 7.416 8.034 21.949) 24.521 2.298 ( 9.860 9.875 15.775) 21.062 2.785 ( 2.278 -0.658 -7.988) 8.333 3.038 ( -2.248 -2.272 0.977) 3.342 3.323 ( -4.774 -3.877 -1.440) 6.316 3.528 ( -0.993 -6.319 1.963) 6.690 3.612 ( 5.258 -3.307 2.071) 6.547 3.703 ( -0.789 -8.082 -3.403) 8.804 3.876 ( -2.095 5.051 -8.416) 10.037 3.991 ( -3.089 2.746 -12.059) 12.747 4.079 ( 6.345 -1.252 8.232) 10.469 4.636 ( -3.969 -5.914 -3.956) 8.147 6.481 ( 7.034 12.987 12.058) 19.067 7.360 ( -0.265 -0.443 25.230) 25.235 7.846 ( 8.153 -3.330 -0.042) 8.807 8.046 ( 3.229 3.826 -13.646) 14.535 8.295 ( -4.130 -6.530 32.081) 32.998 8.622 ( 14.761 -0.932 2.269) 14.964 8.903 ( 17.458 3.445 17.716) 25.110 9.713 ( -5.854 -3.742 -5.987) 9.172 9.858 ( -3.017 1.386 -7.744) 8.425 10.259 ( -4.805 -5.573 0.681) 7.390 10.632 ( 10.273 -1.362 -3.735) 11.015 10.793 ( -0.059 -3.173 -10.211) 10.693 10.897 ( -11.673 -2.286 -7.462) 14.042 11.140 ( -9.097 5.815 -1.131) 10.856 11.674 ( 9.718 12.428 -10.675) 19.048 12.092 ( -13.150 -12.429 4.144) 18.562 12.335 ( -9.145 -0.934 0.728) 9.221 12.639 ( -16.344 10.545 -12.996) 23.393 12.807 ( 8.108 -3.792 5.687) 10.605 13.098 ( -5.248 7.495 2.363) 9.449 13.161 ( -2.905 -8.735 1.387) 9.309 13.430 ( -1.537 4.472 1.680) 5.018 13.615 ( -5.274 -7.025 0.577) 8.804 13.858 ( 7.019 -7.272 -5.497) 11.505 14.058 ( 9.703 -1.043 -1.467) 9.868 14.131 ( 11.793 0.397 -0.062) 11.800 14.225 ( -3.229 6.770 -6.667) 10.035 14.481 ( 14.841 7.604 13.467) 21.435 14.744 ( 2.913 1.209 -5.500) 6.340 15.015 ( 1.055 20.657 12.315) 24.073 15.642 ( -0.551 -2.635 7.979) 8.421 15.737 ( -3.294 -0.537 -9.280) 9.861 15.837 ( 8.825 7.713 14.364) 18.539 16.166 ( 9.395 1.747 -6.520) 11.568 16.535 ( -2.867 2.115 6.582) 7.484 16.933 ( -13.948 9.981 -24.637) 30.019 17.681 ( 10.034 -6.260 36.494) 38.363 17.838 ( 9.781 2.669 -5.081) 11.341 18.349 ( 3.786 -2.506 -5.229) 6.925 18.438 ( 5.704 1.448 13.543) 14.766 18.664 ( 5.848 -28.070 1.718) 28.724 19.194 ( -1.038 -13.935 -5.122) 14.882 19.257 ( -4.356 -9.496 -3.819) 11.124 19.750 ( 13.360 8.756 4.122) 16.497 20.228 ( -0.735 8.117 16.746) 18.624 20.976 ( -3.014 -2.301 15.278) 15.742 21.619 ( -3.361 2.166 0.947) 4.109 21.752 ( -12.437 -0.106 12.665) 17.751 ======================= Grid point 200 (68/120) ======================= q-point: ( 0.22 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 10.410 4.594 12.161) 16.654 2.529 ( 11.603 5.887 8.848) 15.734 2.849 ( 3.724 0.700 -9.049) 9.811 2.978 ( -3.228 -8.494 0.785) 9.120 3.224 ( -3.815 -1.599 1.589) 4.431 3.440 ( -5.709 -5.802 -2.165) 8.422 3.626 ( -6.229 -3.762 -3.254) 7.971 3.761 ( 1.768 -1.500 -3.197) 3.950 3.809 ( -1.627 3.338 -7.560) 8.422 3.938 ( -2.306 2.603 -8.652) 9.325 4.218 ( 7.336 -5.058 12.138) 15.057 4.590 ( 0.977 -8.062 0.448) 8.133 6.688 ( 12.418 14.726 12.670) 23.056 7.419 ( 6.526 3.255 22.292) 23.455 8.009 ( 3.839 -0.212 -8.596) 9.417 8.133 ( 6.048 6.202 2.024) 8.896 8.310 ( 6.737 -9.279 21.161) 24.068 8.964 ( 16.542 -0.132 -1.114) 16.580 9.289 ( 17.045 -1.038 11.869) 20.796 9.531 ( -8.758 -3.607 -5.176) 10.793 9.814 ( -2.421 3.037 -1.946) 4.344 10.151 ( -8.361 -2.576 -0.734) 8.779 10.455 ( -17.562 5.988 -0.391) 18.559 10.796 ( 0.257 0.045 -5.487) 5.493 10.936 ( 7.324 -10.019 -7.435) 14.467 11.019 ( -1.073 1.442 -3.119) 3.600 11.741 ( -14.719 -7.279 4.879) 17.130 11.862 ( 0.523 7.092 -15.625) 17.167 12.066 ( -14.068 0.686 -2.200) 14.255 12.252 ( -16.363 5.678 -5.482) 18.167 12.932 ( 1.195 -4.926 -2.235) 5.540 13.053 ( 3.197 7.057 6.949) 10.407 13.109 ( -2.005 -8.255 -4.113) 9.439 13.457 ( 1.699 7.619 1.370) 7.926 13.585 ( 3.024 -4.376 1.542) 5.538 13.954 ( -0.727 2.814 -3.604) 4.630 14.127 ( 0.662 -2.822 -3.701) 4.701 14.251 ( 7.101 7.080 -9.379) 13.730 14.381 ( 9.336 -8.452 -3.056) 12.959 14.762 ( 8.108 7.516 4.230) 11.838 14.837 ( 7.360 6.098 -0.766) 9.589 15.054 ( -0.185 15.126 0.594) 15.139 15.546 ( 1.178 3.695 7.926) 8.823 15.785 ( 3.012 -5.381 -7.811) 9.952 16.155 ( 16.471 -0.244 21.683) 27.230 16.328 ( 7.968 0.006 7.143) 10.701 16.431 ( -9.339 2.607 -17.080) 19.640 16.788 ( 4.625 13.650 1.856) 14.531 17.950 ( 12.074 -1.340 10.081) 15.786 18.015 ( 7.969 -0.141 7.322) 10.823 18.416 ( 4.938 2.764 7.993) 9.793 18.711 ( 11.008 -13.088 1.898) 17.207 18.764 ( 9.213 -17.717 4.009) 20.367 19.061 ( -10.492 -8.255 -2.507) 13.584 19.173 ( -2.175 -15.231 -1.271) 15.438 19.979 ( 4.234 10.922 12.284) 16.974 20.306 ( 8.378 -2.215 3.633) 9.397 20.907 ( -2.751 -1.461 10.091) 10.561 21.395 ( -18.083 3.608 3.581) 18.784 21.535 ( -6.275 2.828 -2.273) 7.249 ======================= Grid point 201 (69/120) ======================= q-point: ( 0.33 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 7.472 2.839 0.592) 8.015 2.753 ( 8.278 -0.113 2.099) 8.540 2.914 ( -0.969 -7.926 3.373) 8.668 2.944 ( 4.106 1.005 -12.451) 13.149 3.165 ( -1.956 -3.920 3.336) 5.507 3.319 ( -5.739 -6.167 -3.333) 9.060 3.480 ( -6.290 2.359 -4.985) 8.366 3.649 ( -6.676 4.785 -5.901) 10.114 3.830 ( -1.525 1.068 -5.555) 5.859 3.847 ( -4.681 0.575 -1.909) 5.088 4.415 ( 10.265 -10.043 13.334) 19.597 4.648 ( 2.945 -11.500 4.922) 12.851 6.986 ( 15.786 16.516 11.927) 25.773 7.646 ( 15.115 4.572 14.389) 21.363 7.941 ( -8.758 12.743 -1.040) 15.497 8.310 ( 8.707 -3.369 5.307) 10.739 8.557 ( 15.271 -6.263 12.156) 20.498 9.260 ( 7.954 2.529 -11.725) 14.392 9.330 ( -5.296 -5.986 -10.667) 13.329 9.529 ( -2.457 -5.451 2.721) 6.569 9.749 ( -9.778 -0.828 4.687) 10.875 9.905 ( 1.640 9.595 8.917) 13.201 10.240 ( -6.406 -1.508 7.468) 9.955 10.781 ( -5.145 -2.977 -9.427) 11.145 10.918 ( 0.068 1.516 -2.948) 3.316 11.162 ( 7.314 -4.193 -3.861) 9.273 11.346 ( -16.448 -2.239 -5.082) 17.360 11.778 ( -11.543 -4.178 5.095) 13.291 11.870 ( -3.127 9.096 -7.149) 11.984 12.031 ( -6.361 2.615 -4.162) 8.039 12.935 ( 0.599 -7.018 -7.141) 10.030 13.049 ( -3.183 -13.893 -7.953) 16.321 13.164 ( 5.720 11.858 7.595) 15.199 13.452 ( -2.157 7.190 2.978) 8.076 13.730 ( 8.800 3.439 -3.662) 10.133 13.950 ( 3.424 3.121 -5.252) 7.003 14.112 ( -2.731 -4.893 -5.538) 7.879 14.389 ( 5.770 9.412 -10.955) 15.552 14.523 ( 3.456 -7.060 -6.522) 10.214 14.859 ( -11.496 -3.662 -7.181) 14.040 14.884 ( 5.786 16.687 1.678) 17.741 15.065 ( 9.034 6.288 -2.702) 11.334 15.714 ( 2.326 4.125 3.375) 5.815 15.853 ( 9.632 2.589 9.873) 14.035 16.109 ( -10.228 -0.082 -3.773) 10.902 16.396 ( 2.940 -4.001 -1.202) 5.108 16.731 ( 25.334 4.105 19.041) 31.957 17.030 ( 16.297 10.284 7.746) 20.769 17.979 ( -6.139 -0.700 -5.754) 8.443 18.227 ( 4.592 1.992 15.544) 16.330 18.489 ( -6.196 -6.145 -12.183) 14.986 18.679 ( 6.070 -4.524 14.220) 16.109 18.972 ( 2.049 -18.249 3.946) 18.783 19.081 ( -4.154 -21.456 4.140) 22.243 19.205 ( 18.141 -9.098 8.455) 21.985 20.080 ( 10.112 14.890 6.153) 19.021 20.311 ( -11.762 -9.533 11.918) 19.268 20.893 ( 2.021 -0.302 2.134) 2.955 21.094 ( -9.141 8.570 -15.455) 19.896 21.383 ( -8.310 2.679 -6.410) 10.831 ======================= Grid point 202 (70/120) ======================= q-point: ( 0.44 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 6.058 -0.756 -5.848) 8.454 2.773 ( -4.414 -5.482 -7.324) 10.157 2.979 ( 5.177 -1.357 5.434) 7.627 3.022 ( 1.911 -4.804 -3.119) 6.038 3.145 ( 0.069 -0.972 -2.132) 2.344 3.199 ( -5.038 -4.491 -6.814) 9.591 3.420 ( 1.165 4.422 -4.111) 6.149 3.510 ( -6.299 4.537 -4.270) 8.860 3.770 ( -0.699 1.893 -1.303) 2.402 3.796 ( -2.331 1.270 -1.254) 2.936 4.594 ( 6.264 -13.117 11.819) 18.735 4.671 ( -1.179 -13.566 8.970) 16.306 7.334 ( 17.067 17.250 9.117) 25.923 7.678 ( -15.174 16.245 4.709) 22.722 8.031 ( 19.844 4.428 6.701) 21.407 8.362 ( -7.547 0.096 4.647) 8.863 8.909 ( 17.918 -5.452 10.171) 21.313 9.184 ( -3.084 0.851 -18.061) 18.342 9.249 ( -7.989 -4.100 -3.759) 9.735 9.307 ( -14.166 -2.601 -0.616) 14.416 9.764 ( 11.516 -4.522 11.204) 16.691 10.006 ( -7.913 -3.475 7.024) 11.137 10.195 ( 11.164 3.932 -0.508) 11.847 10.513 ( -16.702 -0.233 -10.620) 19.794 11.012 ( 6.638 6.171 -2.687) 9.453 11.140 ( -5.713 3.539 -4.842) 8.283 11.316 ( 8.380 -5.708 4.402) 11.054 11.530 ( -11.620 -6.963 6.178) 14.889 11.847 ( 1.115 4.923 -2.251) 5.527 11.913 ( -4.884 3.748 -3.910) 7.293 12.957 ( 1.321 -9.723 -10.711) 14.526 12.992 ( -2.127 -12.399 -10.686) 16.506 13.280 ( 5.237 10.146 5.583) 12.709 13.381 ( -4.342 8.085 3.741) 9.911 13.879 ( 5.904 7.667 -4.388) 10.626 13.995 ( -4.578 0.348 -3.636) 5.856 14.179 ( 13.401 -0.430 -8.775) 16.024 14.436 ( -4.841 5.266 -9.768) 12.108 14.546 ( -0.201 -1.692 -10.911) 11.044 14.595 ( -8.784 -7.237 -9.607) 14.894 15.047 ( 9.587 19.903 -4.624) 22.571 15.197 ( -0.970 11.061 -2.619) 11.408 15.678 ( 2.019 -3.697 1.670) 4.531 15.830 ( -9.581 -10.384 5.016) 14.993 16.212 ( 12.644 11.194 11.766) 20.582 16.394 ( -4.174 3.857 7.722) 9.588 17.257 ( 23.754 0.011 11.505) 26.393 17.435 ( 20.529 3.081 4.229) 21.185 17.733 ( -15.461 1.165 4.919) 16.267 17.954 ( -22.414 0.691 2.236) 22.536 18.566 ( 10.797 -1.912 5.026) 12.062 18.779 ( -5.945 -5.384 2.733) 8.473 19.008 ( 3.464 -23.766 4.278) 24.396 19.039 ( 1.196 -20.291 3.535) 20.632 19.517 ( 14.144 -5.284 18.236) 23.676 19.902 ( -21.662 -6.590 17.180) 28.422 20.474 ( 22.745 9.989 -10.275) 26.883 20.883 ( -14.366 6.548 -19.076) 24.762 21.003 ( 7.975 1.392 -5.343) 9.700 21.194 ( -9.549 2.525 -8.187) 12.829 ======================= Grid point 207 (71/120) ======================= q-point: ( 0.00 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 0.000 15.291 12.436) 19.710 2.410 ( 0.000 12.537 5.063) 13.521 2.776 ( 0.000 4.416 -2.997) 5.337 3.042 ( 0.000 -5.347 -5.320) 7.543 3.174 ( 0.000 -14.631 8.426) 16.884 3.428 ( 0.000 -1.457 -0.909) 1.717 3.482 ( 0.000 -3.393 -0.444) 3.422 3.539 ( 0.000 -8.671 -8.971) 12.476 3.972 ( 0.000 1.346 -3.885) 4.111 4.037 ( 0.000 -1.158 -7.179) 7.272 4.038 ( 0.000 4.219 0.568) 4.257 4.542 ( 0.000 -8.785 -6.409) 10.874 6.682 ( 0.000 14.908 10.105) 18.010 7.412 ( 0.000 8.319 23.631) 25.053 7.687 ( 0.000 -7.303 -5.148) 8.935 7.928 ( 0.000 -9.613 4.853) 10.768 8.328 ( 0.000 2.725 30.102) 30.225 8.431 ( 0.000 -0.130 11.006) 11.006 8.831 ( 0.000 9.573 9.703) 13.631 9.572 ( 0.000 -11.870 -2.776) 12.190 10.049 ( 0.000 7.924 -4.543) 9.134 10.192 ( 0.000 -10.297 -9.034) 13.698 10.283 ( 0.000 -8.489 -0.697) 8.518 10.661 ( 0.000 -8.214 -4.786) 9.507 11.159 ( 0.000 14.478 0.531) 14.488 11.556 ( 0.000 8.345 -10.120) 13.117 11.689 ( 0.000 8.522 0.457) 8.534 12.142 ( 0.000 -9.121 4.475) 10.160 12.256 ( 0.000 -2.541 -8.118) 8.507 12.741 ( 0.000 4.799 6.065) 7.734 12.794 ( 0.000 -17.414 -19.470) 26.121 13.063 ( 0.000 4.453 -5.525) 7.096 13.408 ( 0.000 -10.546 1.146) 10.608 13.417 ( 0.000 9.798 10.700) 14.508 13.624 ( 0.000 -0.463 0.702) 0.841 13.681 ( 0.000 -6.095 -4.610) 7.642 13.769 ( 0.000 -1.714 -5.892) 6.136 13.982 ( 0.000 1.697 2.315) 2.871 14.507 ( 0.000 11.663 18.286) 21.689 14.530 ( 0.000 11.136 -6.691) 12.991 14.737 ( 0.000 2.014 -8.177) 8.422 15.196 ( 0.000 0.345 11.999) 12.004 15.766 ( 0.000 11.158 30.163) 32.161 15.940 ( 0.000 19.013 -1.189) 19.050 16.035 ( 0.000 7.149 5.095) 8.779 16.065 ( 0.000 7.684 -15.340) 17.157 16.590 ( 0.000 -1.872 5.166) 5.494 17.368 ( 0.000 13.720 -26.734) 30.049 17.441 ( 0.000 -2.711 32.314) 32.427 17.761 ( 0.000 2.966 -2.672) 3.992 17.874 ( 0.000 -35.729 5.375) 36.131 18.218 ( 0.000 -4.184 -16.701) 17.217 18.444 ( 0.000 -2.650 2.864) 3.902 18.819 ( 0.000 -25.240 -1.532) 25.286 19.163 ( 0.000 -0.070 9.263) 9.263 19.693 ( 0.000 -2.494 9.012) 9.351 20.448 ( 0.000 10.967 19.118) 22.040 20.941 ( 0.000 -4.526 15.615) 16.257 21.711 ( 0.000 3.232 2.616) 4.158 21.853 ( 0.000 -1.948 11.298) 11.465 ======================= Grid point 208 (72/120) ======================= q-point: ( 0.11 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 3.084 13.725 13.284) 19.349 2.506 ( 6.698 9.728 0.955) 11.850 2.805 ( 2.521 3.923 -3.159) 5.633 2.958 ( -6.080 -6.151 -3.608) 9.371 3.162 ( -1.923 -11.615 5.941) 13.187 3.422 ( -4.165 -7.053 -3.815) 9.036 3.520 ( 6.355 -4.237 2.446) 8.020 3.579 ( 2.962 -3.610 -7.374) 8.728 3.938 ( -3.090 1.040 -3.449) 4.746 4.021 ( -1.324 -0.032 -8.120) 8.228 4.071 ( 2.668 1.802 0.937) 3.354 4.488 ( -4.502 -8.536 -4.893) 10.820 6.774 ( 8.529 15.590 11.153) 20.981 7.447 ( 3.512 9.790 23.128) 25.359 7.769 ( 6.991 -6.986 -6.679) 11.928 7.965 ( 3.939 -9.651 11.684) 15.658 8.299 ( -0.506 7.003 19.648) 20.865 8.597 ( 14.164 -1.541 8.331) 16.505 8.997 ( 13.291 5.867 12.470) 19.147 9.580 ( -0.367 -9.710 -2.504) 10.035 9.901 ( -9.078 2.631 -7.604) 12.131 10.143 ( -1.780 -4.797 2.083) 5.525 10.480 ( 11.393 -10.852 -7.310) 17.349 10.659 ( -0.545 -8.603 -5.391) 10.167 11.068 ( -11.544 15.324 -3.129) 19.439 11.306 ( -10.213 9.959 -2.101) 14.419 11.811 ( -7.856 -6.692 10.087) 14.431 11.928 ( -0.194 2.731 -13.129) 13.412 12.335 ( -5.120 1.119 -5.717) 7.756 12.726 ( -9.637 -5.037 -22.813) 25.272 12.758 ( 4.370 -0.480 3.002) 5.323 13.024 ( -10.447 -1.896 2.244) 10.852 13.171 ( -1.004 -1.611 2.933) 3.494 13.383 ( -1.577 -7.926 -2.150) 8.362 13.586 ( 1.215 8.026 4.324) 9.197 13.812 ( 4.646 0.194 0.781) 4.715 13.950 ( 10.811 -6.357 -1.289) 12.608 14.168 ( 13.822 0.662 -2.829) 14.124 14.443 ( -6.390 11.340 -7.031) 14.794 14.620 ( 7.858 5.034 11.963) 15.173 14.803 ( 6.678 5.786 -5.121) 10.213 15.313 ( 10.328 2.607 8.746) 13.783 15.690 ( -7.675 11.961 15.570) 21.081 15.820 ( -6.441 10.253 -3.766) 12.680 16.037 ( 4.463 11.112 9.733) 15.431 16.204 ( 5.229 3.347 -1.290) 6.341 16.577 ( 0.884 2.070 8.119) 8.425 17.179 ( -11.662 14.166 -20.288) 27.354 17.567 ( 11.009 -3.636 36.097) 37.914 17.848 ( 4.707 -4.915 -12.568) 14.292 18.011 ( 9.910 -30.589 4.154) 32.422 18.293 ( 7.190 -3.277 -13.518) 15.658 18.526 ( 7.161 2.432 3.228) 8.223 18.815 ( -1.273 -23.309 -1.909) 23.422 19.111 ( -5.113 -2.090 8.322) 9.988 19.783 ( 8.338 -5.689 8.307) 13.073 20.421 ( -2.315 10.823 17.799) 20.959 20.913 ( -2.397 -4.201 14.218) 15.018 21.672 ( -4.042 2.902 1.510) 5.200 21.752 ( -8.727 0.086 8.222) 11.990 ======================= Grid point 209 (73/120) ======================= q-point: ( 0.22 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 7.046 9.170 10.390) 15.546 2.650 ( 6.537 5.205 -3.579) 9.090 2.822 ( -4.284 -6.386 -1.339) 7.806 2.888 ( 3.399 3.226 -5.983) 7.600 3.095 ( -4.142 -9.433 4.226) 11.135 3.322 ( -5.091 -7.560 -3.129) 9.637 3.558 ( -1.128 -2.245 2.032) 3.231 3.703 ( 5.004 -4.915 -4.531) 8.350 3.865 ( -2.705 2.154 -4.405) 5.600 3.981 ( -3.088 1.188 -9.239) 9.814 4.120 ( 1.924 -3.064 3.936) 5.346 4.404 ( -2.265 -9.796 -1.054) 10.110 7.020 ( 14.405 16.848 13.185) 25.791 7.571 ( 8.747 12.786 19.040) 24.546 7.933 ( 8.328 -8.147 -5.348) 12.819 8.108 ( 9.180 -7.667 21.941) 24.990 8.358 ( 6.080 13.447 3.646) 15.201 8.947 ( 17.770 -2.415 3.474) 18.266 9.263 ( 8.449 -0.913 5.844) 10.314 9.488 ( -7.062 0.361 0.774) 7.113 9.815 ( 1.051 -3.417 -4.140) 5.470 10.090 ( -4.345 -3.675 1.492) 5.883 10.564 ( -13.085 -4.670 -7.916) 15.990 10.627 ( -2.174 -9.403 -3.960) 10.432 10.803 ( -0.659 3.269 -2.479) 4.155 11.218 ( -0.548 14.840 0.584) 14.861 11.517 ( -14.918 -12.711 5.073) 20.245 11.932 ( -7.831 -3.719 1.269) 8.762 12.161 ( -4.575 10.844 -13.434) 17.861 12.400 ( -16.863 7.260 -17.491) 25.357 12.803 ( -1.777 -7.380 -6.565) 10.036 12.862 ( -4.255 -11.907 -5.415) 13.755 13.291 ( 8.514 10.566 8.582) 16.056 13.473 ( 9.335 -4.573 1.529) 10.507 13.613 ( 0.955 8.024 0.171) 8.082 13.911 ( 4.026 -2.875 -0.693) 4.995 14.128 ( 6.634 -11.278 0.105) 13.084 14.280 ( -7.122 8.638 -4.392) 12.026 14.432 ( 10.059 5.592 -5.071) 12.577 14.789 ( 7.395 0.796 -3.004) 8.022 14.972 ( 6.229 7.497 -2.900) 10.169 15.499 ( -5.933 22.766 3.125) 23.733 15.575 ( 11.616 -2.867 1.019) 12.008 15.784 ( 2.519 9.593 6.744) 11.994 16.093 ( 1.726 -3.708 9.257) 10.121 16.371 ( 9.665 2.031 7.481) 12.390 16.591 ( -0.320 12.994 -0.051) 12.998 17.049 ( 2.099 13.298 -1.201) 13.516 17.881 ( 15.942 -10.985 30.892) 36.457 17.917 ( 2.791 -7.563 -15.697) 17.646 18.190 ( 7.440 -25.994 -0.788) 27.049 18.488 ( 9.735 -0.119 -2.016) 9.942 18.702 ( 7.015 5.030 11.382) 14.285 18.743 ( -3.819 -19.887 -4.400) 20.723 18.960 ( -8.073 -4.948 4.970) 10.694 19.969 ( 6.771 -13.095 8.127) 16.834 20.376 ( -1.302 10.185 13.532) 16.986 20.861 ( -1.881 -3.591 10.017) 10.806 21.490 ( -11.736 5.416 -0.604) 12.939 21.593 ( -6.450 2.546 -2.361) 7.326 ======================= Grid point 210 (74/120) ======================= q-point: ( 0.33 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 4.223 4.674 3.254) 7.090 2.714 ( -1.967 -3.881 -8.102) 9.197 2.792 ( 3.217 -3.981 5.168) 7.274 2.989 ( 0.940 0.658 -5.383) 5.504 3.011 ( 1.267 -6.372 0.643) 6.528 3.231 ( -2.901 -3.335 -2.419) 5.039 3.519 ( -2.210 0.888 -0.736) 2.493 3.683 ( -5.192 -2.107 -2.940) 6.328 3.860 ( 0.287 2.417 -3.995) 4.678 3.883 ( -5.040 2.519 -6.667) 8.729 4.191 ( 4.960 -10.541 6.568) 13.373 4.389 ( -0.289 -13.350 2.745) 13.632 7.357 ( 17.535 18.253 13.316) 28.599 7.817 ( 14.501 13.540 13.335) 23.905 8.123 ( 7.849 -0.100 -5.625) 9.657 8.270 ( 5.556 -2.259 24.953) 25.664 8.538 ( 10.853 11.126 0.184) 15.543 9.218 ( -3.256 -4.380 -8.278) 9.915 9.312 ( 12.279 -1.111 -0.461) 12.337 9.405 ( -5.185 -2.112 -1.831) 5.891 9.738 ( -15.923 -0.308 -1.504) 15.997 10.023 ( 4.847 -1.700 3.651) 6.302 10.228 ( -14.206 -0.296 1.889) 14.334 10.565 ( -4.551 -14.343 -10.134) 18.142 10.888 ( 5.522 -3.564 1.664) 6.780 11.216 ( -2.984 -1.215 1.268) 3.462 11.287 ( -2.524 5.334 4.773) 7.590 11.665 ( -14.118 -5.841 4.921) 16.051 12.095 ( -6.188 12.475 -11.387) 17.989 12.153 ( -5.299 8.653 -12.436) 16.050 12.756 ( -2.676 -11.836 -11.448) 16.683 12.779 ( -2.334 -11.527 -7.986) 14.216 13.446 ( 5.209 15.442 9.742) 18.987 13.594 ( -0.689 6.927 2.660) 7.452 13.747 ( 13.589 0.753 -5.809) 14.798 13.947 ( -0.068 -5.158 -2.984) 5.960 14.120 ( -4.171 -0.078 -10.965) 11.732 14.326 ( 9.244 -6.890 6.115) 13.051 14.587 ( 3.581 5.044 -3.587) 7.151 14.830 ( -5.963 4.723 -11.048) 13.414 15.049 ( 5.766 6.496 0.783) 8.721 15.492 ( 3.160 25.990 -1.140) 26.206 15.679 ( -0.367 -0.628 -1.856) 1.993 15.953 ( 9.062 4.836 10.163) 14.449 16.182 ( 7.195 -3.713 4.671) 9.347 16.347 ( -5.840 7.819 -12.750) 16.056 16.826 ( 18.909 5.674 11.732) 22.965 17.228 ( 12.514 8.543 11.620) 19.094 17.884 ( -4.696 -10.808 -8.184) 14.347 18.109 ( 1.618 -17.836 12.394) 21.780 18.402 ( 11.277 -0.704 -0.408) 11.307 18.575 ( -6.539 -17.756 2.849) 19.135 18.638 ( 2.753 -8.023 7.927) 11.610 18.753 ( -4.474 1.349 14.181) 14.931 18.989 ( 12.021 -11.888 5.787) 17.869 19.967 ( -8.555 -19.228 11.345) 23.909 20.416 ( 7.337 13.294 5.301) 16.083 20.870 ( 3.668 -2.334 2.948) 5.252 21.274 ( -9.184 8.653 -11.721) 17.222 21.438 ( -8.442 2.416 -6.785) 11.097 ======================= Grid point 211 (75/120) ======================= q-point: ( 0.44 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( 1.249 -0.038 -2.274) 2.595 2.672 ( -1.490 -3.979 -4.915) 6.497 2.852 ( 2.461 -7.834 4.011) 9.138 2.913 ( -3.518 -8.434 4.595) 10.229 3.144 ( 5.804 3.506 -8.195) 10.636 3.207 ( -0.462 2.643 -3.822) 4.670 3.481 ( -0.296 1.000 -4.645) 4.761 3.552 ( -6.270 -0.768 -4.039) 7.498 3.826 ( -0.275 3.613 -1.995) 4.137 3.844 ( -1.365 3.692 -1.228) 4.123 4.295 ( 4.397 -15.263 7.035) 17.372 4.365 ( -2.229 -15.726 5.782) 16.903 7.732 ( 17.527 20.261 10.659) 28.832 8.039 ( -8.360 17.228 6.003) 20.068 8.183 ( 13.271 11.264 10.309) 20.231 8.386 ( -0.135 1.547 11.606) 11.709 8.810 ( 15.939 -1.411 3.026) 16.285 9.160 ( -9.418 -4.475 1.127) 10.487 9.187 ( -5.551 -1.940 -10.189) 11.764 9.307 ( -12.605 4.475 -13.856) 19.259 9.648 ( 11.591 -6.116 3.836) 13.655 9.919 ( -14.155 -5.162 0.686) 15.082 10.207 ( 9.856 -5.094 -1.870) 11.251 10.415 ( -9.407 -11.089 -9.897) 17.590 11.045 ( 9.304 -2.573 8.463) 12.837 11.181 ( -0.990 0.499 4.906) 5.029 11.296 ( 0.717 4.205 1.704) 4.594 11.395 ( -10.456 -4.766 4.619) 12.384 12.008 ( -0.857 10.771 -7.571) 13.193 12.054 ( -4.493 10.024 -6.874) 12.958 12.727 ( 0.228 -12.909 -12.804) 18.184 12.748 ( -1.286 -11.631 -11.808) 16.624 13.516 ( 2.184 12.611 5.737) 14.026 13.559 ( -2.098 9.278 4.031) 10.331 13.933 ( 1.936 -4.443 -8.695) 9.954 13.962 ( 0.186 -0.706 -6.508) 6.549 14.168 ( 11.958 -0.909 -6.081) 13.447 14.443 ( -8.433 -0.143 -1.221) 8.522 14.566 ( 4.796 -0.121 -2.678) 5.494 14.702 ( -5.301 10.069 -6.900) 13.308 15.221 ( 10.037 5.022 4.828) 12.218 15.433 ( -8.758 6.955 4.853) 12.192 15.764 ( 8.492 19.802 -5.904) 22.340 15.949 ( -7.656 17.866 -5.605) 20.229 16.325 ( 5.290 -9.460 -2.522) 11.128 16.356 ( 3.067 2.467 -0.189) 3.940 17.217 ( 16.954 -5.415 5.204) 18.543 17.440 ( 0.965 -6.340 3.311) 7.218 17.791 ( 2.262 5.674 10.358) 12.025 18.000 ( -10.886 2.858 13.262) 17.394 18.464 ( -1.210 -13.593 5.394) 14.674 18.484 ( -2.752 -19.883 6.762) 21.181 18.703 ( 3.262 -5.840 3.676) 7.633 18.735 ( 0.375 -2.533 2.988) 3.935 19.288 ( 16.350 -15.999 17.304) 28.683 19.660 ( -18.176 -17.080 14.757) 28.980 20.695 ( 17.313 11.127 -6.891) 21.704 21.018 ( 7.787 0.699 -5.901) 9.795 21.044 ( -12.047 7.711 -12.699) 19.127 21.241 ( -10.368 1.751 -8.215) 13.344 ======================= Grid point 216 (76/120) ======================= q-point: ( 0.00 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 0.000 11.608 -1.415) 11.693 2.637 ( 0.000 10.410 -8.758) 13.604 2.855 ( 0.000 -8.971 -9.377) 12.977 2.874 ( 0.000 -14.458 3.737) 14.933 2.987 ( 0.000 13.205 6.972) 14.933 3.277 ( 0.000 -13.630 8.184) 15.899 3.467 ( 0.000 0.512 -10.074) 10.087 3.470 ( 0.000 0.532 -2.348) 2.408 3.974 ( 0.000 0.051 -0.691) 0.693 3.997 ( 0.000 -2.212 -2.727) 3.511 4.171 ( 0.000 8.617 -5.328) 10.131 4.356 ( 0.000 -9.787 -6.608) 11.809 7.007 ( 0.000 18.577 7.417) 20.003 7.396 ( 0.000 -19.750 -2.397) 19.895 7.626 ( 0.000 10.704 18.298) 21.199 7.785 ( 0.000 -5.947 17.391) 18.380 8.403 ( 0.000 3.082 20.180) 20.413 8.431 ( 0.000 -0.215 15.897) 15.898 9.047 ( 0.000 12.484 7.696) 14.666 9.312 ( 0.000 -13.934 2.872) 14.227 10.051 ( 0.000 -3.090 -5.836) 6.604 10.083 ( 0.000 -5.397 1.563) 5.619 10.269 ( 0.000 9.573 -7.730) 12.304 10.476 ( 0.000 -10.399 -3.772) 11.062 11.481 ( 0.000 15.300 -1.733) 15.398 11.644 ( 0.000 -0.630 -3.362) 3.421 11.821 ( 0.000 5.998 6.237) 8.653 11.969 ( 0.000 -8.666 3.670) 9.411 12.262 ( 0.000 3.676 -17.978) 18.350 12.441 ( 0.000 -15.074 -18.841) 24.129 12.885 ( 0.000 8.989 -0.778) 9.023 13.057 ( 0.000 -6.900 -9.412) 11.670 13.323 ( 0.000 3.127 0.018) 3.127 13.433 ( 0.000 -5.996 -0.354) 6.007 13.626 ( 0.000 0.325 1.894) 1.921 13.633 ( 0.000 -0.212 2.338) 2.348 13.830 ( 0.000 7.245 0.234) 7.249 13.957 ( 0.000 -4.266 5.769) 7.175 14.666 ( 0.000 3.005 -7.444) 8.027 14.670 ( 0.000 3.118 2.751) 4.158 14.842 ( 0.000 10.078 5.939) 11.698 15.068 ( 0.000 -10.990 13.260) 17.222 16.006 ( 0.000 12.226 29.276) 31.726 16.154 ( 0.000 0.665 13.976) 13.991 16.220 ( 0.000 7.177 -11.919) 13.913 16.282 ( 0.000 5.493 -6.210) 8.291 16.629 ( 0.000 15.747 14.678) 21.527 17.177 ( 0.000 -33.822 9.539) 35.142 17.580 ( 0.000 18.213 6.769) 19.430 17.635 ( 0.000 11.649 -22.371) 25.222 17.783 ( 0.000 -1.782 -7.148) 7.367 18.041 ( 0.000 -19.137 -16.118) 25.020 18.347 ( 0.000 -5.243 -5.503) 7.600 18.369 ( 0.000 -12.495 6.442) 14.058 19.289 ( 0.000 11.577 15.536) 19.375 19.539 ( 0.000 -11.912 13.975) 18.363 20.657 ( 0.000 9.908 17.534) 20.140 20.827 ( 0.000 -7.203 15.867) 17.425 21.770 ( 0.000 2.646 4.130) 4.905 21.815 ( 0.000 -1.983 7.122) 7.393 ======================= Grid point 217 (77/120) ======================= q-point: ( 0.11 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 1.834 12.893 -0.439) 13.030 2.659 ( 2.006 6.738 -8.148) 10.761 2.811 ( -3.194 -7.612 -4.327) 9.320 2.899 ( 1.057 -13.221 -0.592) 13.276 2.973 ( -0.362 11.811 4.031) 12.485 3.231 ( -3.675 -12.329 3.824) 13.422 3.489 ( 2.805 0.893 -0.171) 2.949 3.527 ( 2.901 -2.304 -5.526) 6.653 3.949 ( -1.819 1.260 -1.726) 2.807 3.992 ( -0.518 -2.480 -4.555) 5.213 4.163 ( -0.905 6.797 -4.214) 8.049 4.317 ( -3.464 -8.542 -5.275) 10.620 7.099 ( 8.399 17.914 9.271) 21.849 7.465 ( 6.416 -17.747 1.560) 18.935 7.700 ( 6.231 9.924 16.225) 20.014 7.846 ( 5.925 -4.803 16.617) 18.284 8.452 ( 5.243 7.299 14.554) 17.105 8.555 ( 11.182 -3.155 12.511) 17.074 9.135 ( 7.491 8.658 8.452) 14.231 9.351 ( 3.788 -12.598 3.426) 13.594 9.959 ( -7.139 4.214 -4.280) 9.330 10.068 ( -2.309 -5.097 2.430) 6.100 10.351 ( 6.006 0.741 -8.437) 10.383 10.476 ( -0.306 -9.312 -4.860) 10.509 11.354 ( -15.532 11.612 -2.244) 19.523 11.487 ( -6.680 2.533 0.246) 7.149 11.697 ( -12.224 3.582 2.479) 12.976 11.903 ( -0.972 -8.654 -4.379) 9.748 12.395 ( 3.804 5.271 -15.026) 16.372 12.541 ( 3.973 -9.623 -18.783) 21.476 12.807 ( -5.975 5.552 0.932) 8.209 12.952 ( -15.798 -7.822 -0.578) 17.638 13.174 ( 3.291 4.510 -4.759) 7.336 13.276 ( -2.416 -4.950 -4.795) 7.303 13.727 ( 4.487 4.644 5.901) 8.748 13.799 ( 7.046 -3.271 5.834) 9.715 13.938 ( 5.903 7.428 -0.802) 9.522 14.107 ( 10.406 -7.031 2.146) 12.741 14.599 ( -3.795 5.138 -4.881) 8.039 14.661 ( 1.907 -0.858 -0.164) 2.097 14.972 ( 9.604 10.558 3.965) 14.813 15.189 ( 9.629 -10.665 7.410) 16.167 15.986 ( -5.822 12.993 10.766) 17.850 16.065 ( -0.392 9.660 14.591) 17.504 16.167 ( -8.968 2.476 -3.736) 10.026 16.272 ( 3.578 -1.372 7.115) 8.081 16.727 ( 8.121 18.128 15.338) 25.096 17.258 ( 6.338 -31.598 9.192) 33.513 17.468 ( -8.698 14.841 -17.928) 24.846 17.727 ( 7.961 10.477 -2.872) 13.469 17.744 ( -1.296 -7.301 -1.120) 7.499 18.145 ( 7.743 -20.092 -8.653) 23.206 18.428 ( 6.689 -2.680 -1.870) 7.445 18.508 ( 9.745 -6.549 -2.159) 11.938 19.249 ( -3.459 14.281 15.198) 21.139 19.562 ( 2.179 -15.355 12.973) 20.220 20.630 ( -2.293 10.034 16.609) 19.539 20.802 ( -2.165 -7.227 14.848) 16.655 21.723 ( -4.512 2.082 2.414) 5.525 21.749 ( -5.665 -0.603 4.366) 7.177 ======================= Grid point 218 (78/120) ======================= q-point: ( 0.22 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( 1.975 9.768 -0.940) 10.010 2.707 ( 1.918 1.228 -3.838) 4.463 2.735 ( -3.711 -1.793 -3.427) 5.360 2.890 ( -1.885 -10.504 1.100) 10.728 3.003 ( 3.102 7.643 -1.159) 8.329 3.166 ( -1.567 -7.995 0.496) 8.162 3.526 ( 0.427 -0.401 3.542) 3.590 3.580 ( 1.820 -5.829 -2.404) 6.562 3.917 ( -0.940 3.267 -5.323) 6.315 3.974 ( -1.489 -1.906 -7.561) 7.938 4.128 ( -2.437 3.346 -1.292) 4.337 4.233 ( -3.876 -7.219 -1.833) 8.396 7.334 ( 13.664 15.927 13.474) 24.938 7.654 ( 11.417 -15.793 8.151) 21.123 7.864 ( 9.865 12.321 12.803) 20.324 8.029 ( 10.945 -4.253 11.044) 16.120 8.626 ( 10.732 13.459 6.282) 18.325 8.846 ( 14.914 -8.129 6.407) 18.154 9.295 ( 6.087 5.576 4.794) 9.546 9.468 ( 6.227 -7.673 7.386) 12.337 9.780 ( -8.258 5.707 -4.309) 10.924 9.971 ( -7.846 -9.435 1.117) 12.322 10.411 ( -3.397 -2.648 -8.044) 9.125 10.470 ( -0.186 -7.014 -9.126) 11.512 11.015 ( -13.090 12.980 1.936) 18.536 11.267 ( -13.611 -12.659 3.881) 18.989 11.530 ( -4.018 15.679 0.576) 16.195 11.793 ( -9.380 -10.334 0.187) 13.958 12.382 ( -1.883 10.517 -14.714) 18.184 12.501 ( -7.810 1.780 -19.244) 20.845 12.649 ( -7.586 -7.138 -5.305) 11.689 12.671 ( -7.912 -6.278 -9.399) 13.797 13.410 ( 15.072 1.957 2.922) 15.477 13.432 ( 14.544 -0.290 0.068) 14.548 13.781 ( 0.535 7.420 1.174) 7.532 13.904 ( 3.539 -3.598 3.328) 6.045 13.976 ( -1.926 3.850 2.099) 4.790 14.198 ( -2.295 -12.247 5.553) 13.641 14.623 ( 6.329 11.063 -6.145) 14.150 14.781 ( 8.031 -4.097 -5.099) 10.358 15.160 ( 6.648 11.678 -2.787) 13.724 15.401 ( 9.638 -11.700 -1.503) 15.233 15.871 ( -1.562 12.925 2.764) 13.309 16.008 ( -4.362 -0.213 3.640) 5.686 16.139 ( 4.796 14.900 14.361) 21.243 16.355 ( 4.149 -4.873 7.035) 9.511 16.916 ( 8.636 20.375 10.166) 24.353 17.333 ( -2.597 15.696 -8.145) 17.873 17.414 ( 8.210 -29.013 9.308) 31.556 17.668 ( -2.664 -17.200 -13.351) 21.936 18.013 ( 15.907 5.864 15.130) 22.723 18.290 ( 4.717 -19.915 2.548) 20.624 18.544 ( 3.761 4.240 -1.089) 5.771 18.673 ( 4.620 -7.478 -4.663) 9.950 19.168 ( -3.709 21.079 13.401) 25.253 19.606 ( 0.817 -21.793 10.843) 24.355 20.587 ( -0.861 10.103 12.971) 16.464 20.757 ( -1.306 -7.040 11.377) 13.443 21.583 ( -8.010 3.552 -2.411) 9.088 21.619 ( -6.684 -0.136 -2.662) 7.196 ======================= Grid point 219 (79/120) ======================= q-point: ( 0.33 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( -2.353 0.010 -4.100) 4.728 2.692 ( -0.082 3.060 0.745) 3.150 2.720 ( -0.829 -1.620 0.417) 1.867 2.829 ( -3.644 -7.659 3.942) 9.353 3.101 ( 6.246 6.001 -5.032) 10.018 3.185 ( 3.239 -2.166 -2.328) 4.539 3.517 ( -1.469 -0.111 1.043) 1.805 3.576 ( -2.576 -6.427 0.689) 6.958 3.917 ( 0.878 2.454 -6.454) 6.960 3.926 ( -2.331 1.417 -7.053) 7.562 4.075 ( -2.175 -0.467 1.568) 2.722 4.166 ( -2.839 -8.689 1.451) 9.255 7.664 ( 17.848 14.027 14.948) 27.180 7.934 ( 15.111 -12.754 12.760) 23.533 8.126 ( 14.637 12.417 7.629) 20.654 8.261 ( 9.800 -1.394 8.643) 13.142 8.853 ( 9.652 15.527 2.492) 18.451 9.098 ( 7.156 -10.147 -1.124) 12.468 9.309 ( -7.193 9.678 3.180) 12.470 9.487 ( -0.654 2.781 5.275) 5.999 9.711 ( -13.060 -3.098 -6.689) 14.997 9.798 ( 6.058 -15.648 -4.640) 17.409 10.217 ( -15.022 1.990 -9.933) 18.119 10.338 ( -11.306 -9.129 -12.988) 19.489 10.915 ( 2.897 6.098 10.068) 12.122 11.073 ( -1.742 -8.751 11.450) 14.516 11.469 ( -3.273 7.900 2.666) 8.957 11.577 ( -10.485 -3.776 2.630) 11.450 12.317 ( -6.946 9.632 -14.762) 18.946 12.349 ( -2.285 11.026 -12.893) 17.118 12.520 ( -4.975 -10.676 -12.099) 16.885 12.572 ( -2.640 -10.578 -11.052) 15.524 13.673 ( 7.660 6.123 3.029) 10.264 13.745 ( 3.849 5.323 1.865) 6.829 13.787 ( 8.836 2.078 -3.461) 9.715 13.902 ( -2.768 3.968 1.176) 4.979 13.969 ( 2.666 -6.373 -2.210) 7.253 14.173 ( 4.801 -12.623 8.784) 16.110 14.714 ( -1.114 9.768 -3.810) 10.543 14.881 ( -1.302 -4.679 -4.765) 6.804 15.270 ( 7.100 16.625 -5.137) 18.794 15.585 ( 8.535 -10.374 -5.460) 14.501 15.911 ( 0.795 7.659 2.752) 8.177 16.021 ( 6.937 3.518 -0.813) 7.820 16.217 ( 2.369 13.409 4.198) 14.249 16.457 ( 6.099 -3.448 0.436) 7.020 17.017 ( 0.366 15.868 -3.417) 16.236 17.322 ( -3.197 -4.023 -0.976) 5.230 17.589 ( 9.895 -11.022 4.772) 15.561 17.716 ( 9.626 -16.682 9.950) 21.678 18.318 ( -1.090 -5.025 11.977) 13.034 18.358 ( 13.724 -6.931 16.056) 22.230 18.554 ( -2.726 5.803 2.232) 6.789 18.736 ( 4.174 -11.098 0.988) 11.898 19.080 ( -5.650 21.568 10.543) 24.663 19.537 ( -8.225 -23.553 10.702) 27.146 20.644 ( 7.207 9.612 4.815) 12.943 20.793 ( 5.647 -5.658 3.982) 8.931 21.409 ( -8.965 4.807 -9.234) 13.738 21.461 ( -8.705 -0.518 -7.687) 11.625 ======================= Grid point 220 (80/120) ======================= q-point: ( 0.44 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( 0.190 0.999 -1.392) 1.724 2.668 ( -2.104 2.385 1.043) 3.347 2.711 ( 0.920 -5.949 1.668) 6.247 2.755 ( -3.077 -6.603 4.020) 8.321 3.247 ( 6.786 5.943 -5.542) 10.587 3.278 ( 4.427 3.554 -3.409) 6.622 3.454 ( -3.781 -2.824 -4.152) 6.286 3.480 ( -5.623 -5.386 -1.785) 7.988 3.910 ( 1.025 4.889 -2.220) 5.466 3.935 ( -0.321 5.172 -1.145) 5.306 4.055 ( 0.884 -8.209 1.718) 8.433 4.104 ( -3.047 -10.134 2.413) 10.854 8.058 ( 18.340 13.235 13.096) 26.134 8.252 ( 12.011 -2.116 11.230) 16.578 8.347 ( -2.434 4.097 14.875) 15.619 8.389 ( 6.274 2.500 10.441) 12.435 8.982 ( 3.315 15.319 -0.465) 15.681 9.119 ( -8.562 1.562 -3.384) 9.338 9.149 ( 1.826 -1.427 -5.594) 6.055 9.315 ( -12.675 -8.082 -0.870) 15.057 9.657 ( 7.151 9.977 -10.154) 15.930 9.875 ( -13.828 3.566 -7.460) 16.112 9.952 ( 6.491 -17.664 -7.618) 20.302 10.112 ( -9.201 -17.137 -11.452) 22.572 11.067 ( 10.551 4.752 12.183) 16.803 11.168 ( 7.962 -3.435 9.606) 12.941 11.325 ( -10.783 1.687 8.486) 13.825 11.371 ( -8.674 -0.925 4.025) 9.607 12.241 ( -0.437 12.368 -11.753) 17.067 12.279 ( -3.454 12.275 -10.276) 16.377 12.482 ( 0.677 -12.144 -13.602) 18.247 12.519 ( -2.435 -11.892 -12.401) 17.353 13.722 ( -0.257 7.140 0.968) 7.210 13.733 ( -0.912 8.768 1.529) 8.947 13.837 ( 0.803 -4.938 -4.426) 6.680 13.883 ( -2.780 -6.541 -4.547) 8.437 14.215 ( 17.086 7.273 0.314) 18.572 14.419 ( 15.224 -10.940 5.969) 19.674 14.546 ( -13.322 7.964 -1.169) 15.565 14.723 ( -12.369 -7.408 0.519) 14.427 15.486 ( 11.834 20.494 -3.879) 23.982 15.681 ( -3.812 16.808 -3.191) 17.527 15.934 ( 5.626 -14.429 -2.723) 15.725 16.075 ( -4.731 -13.147 -2.002) 14.115 16.373 ( 12.983 27.069 -6.589) 30.736 16.556 ( -0.541 18.366 -8.510) 20.249 16.992 ( 1.038 -15.786 -3.292) 16.159 17.144 ( -10.915 -21.664 -5.006) 24.770 17.893 ( 16.762 3.404 14.411) 22.366 17.972 ( 12.141 -5.316 15.885) 20.688 18.233 ( -7.178 -1.791 13.366) 15.277 18.281 ( -13.286 -4.834 12.960) 19.179 18.700 ( 10.084 6.201 4.516) 12.670 18.879 ( -1.335 8.312 9.651) 12.807 18.969 ( 6.637 -9.072 12.014) 16.452 19.278 ( -15.420 -20.518 12.089) 28.371 20.882 ( 14.381 7.571 -4.988) 17.001 20.989 ( 12.079 -3.351 -4.487) 13.314 21.182 ( -13.065 5.386 -10.415) 17.555 21.248 ( -11.684 -1.354 -8.809) 14.695 ======================= Grid point 252 (81/120) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( 0.000 0.000 24.273) 24.273 2.562 ( 0.000 0.000 21.836) 21.836 2.754 ( 0.000 0.000 5.992) 5.992 3.071 ( 0.000 0.000 -1.520) 1.520 3.167 ( 0.000 0.000 -13.245) 13.245 3.406 ( 0.000 0.000 -19.918) 19.918 3.601 ( 0.000 0.000 -4.566) 4.566 3.690 ( 0.000 0.000 -12.779) 12.779 3.784 ( 0.000 0.000 4.378) 4.378 3.883 ( 0.000 0.000 0.626) 0.626 4.285 ( 0.000 0.000 14.313) 14.313 4.632 ( 0.000 0.000 -6.088) 6.088 6.603 ( 0.000 0.000 19.836) 19.836 7.539 ( 0.000 0.000 -24.865) 24.865 7.776 ( 0.000 0.000 9.040) 9.040 7.868 ( 0.000 0.000 2.491) 2.491 8.680 ( 0.000 0.000 26.393) 26.393 8.969 ( 0.000 0.000 19.558) 19.558 9.237 ( 0.000 0.000 36.642) 36.642 9.646 ( 0.000 0.000 -12.233) 12.233 9.693 ( 0.000 0.000 -9.142) 9.142 10.393 ( 0.000 0.000 -0.083) 0.083 10.451 ( 0.000 0.000 -4.647) 4.647 10.457 ( 0.000 0.000 -23.063) 23.063 10.809 ( 0.000 0.000 -19.903) 19.903 10.916 ( 0.000 0.000 -15.288) 15.288 11.480 ( 0.000 0.000 19.077) 19.077 12.292 ( 0.000 0.000 -19.164) 19.164 12.466 ( 0.000 0.000 4.189) 4.189 12.583 ( 0.000 0.000 0.271) 0.271 13.091 ( 0.000 0.000 9.881) 9.881 13.092 ( 0.000 0.000 10.585) 10.585 13.279 ( 0.000 0.000 -1.498) 1.498 13.462 ( 0.000 0.000 -5.787) 5.787 13.621 ( 0.000 0.000 -6.594) 6.594 13.646 ( 0.000 0.000 -6.703) 6.703 14.000 ( 0.000 0.000 2.140) 2.140 14.161 ( 0.000 0.000 -4.213) 4.213 14.303 ( 0.000 0.000 20.344) 20.344 14.443 ( 0.000 0.000 14.170) 14.170 14.755 ( 0.000 0.000 6.314) 6.314 15.004 ( 0.000 0.000 0.963) 0.963 15.525 ( 0.000 0.000 -0.545) 0.545 15.559 ( 0.000 0.000 -12.037) 12.037 15.803 ( 0.000 0.000 -12.793) 12.793 16.088 ( 0.000 0.000 24.656) 24.656 16.429 ( 0.000 0.000 -25.797) 25.797 16.893 ( 0.000 0.000 24.118) 24.118 17.210 ( 0.000 0.000 -23.239) 23.239 17.928 ( 0.000 0.000 -22.944) 22.944 18.523 ( 0.000 0.000 26.145) 26.145 18.922 ( 0.000 0.000 22.162) 22.162 19.079 ( 0.000 0.000 4.599) 4.599 19.161 ( 0.000 0.000 -10.896) 10.896 19.265 ( 0.000 0.000 -4.368) 4.368 19.336 ( 0.000 0.000 -3.736) 3.736 20.766 ( 0.000 0.000 39.892) 39.892 21.338 ( 0.000 0.000 12.820) 12.820 21.631 ( 0.000 0.000 -2.054) 2.054 21.987 ( 0.000 0.000 -9.251) 9.251 ======================= Grid point 253 (82/120) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( -1.017 0.000 16.581) 16.612 2.628 ( 5.927 0.000 19.980) 20.841 2.744 ( -1.005 0.000 2.196) 2.415 3.101 ( 2.686 0.000 -0.842) 2.814 3.220 ( 2.867 0.000 -6.464) 7.071 3.474 ( 4.637 0.000 -14.656) 15.372 3.554 ( -4.250 0.000 -4.609) 6.269 3.635 ( -5.187 0.000 -12.650) 13.672 3.771 ( 0.976 0.000 1.629) 1.899 3.827 ( -4.669 0.000 0.164) 4.672 4.365 ( 6.645 0.000 11.820) 13.560 4.625 ( 0.144 0.000 -3.997) 3.999 6.668 ( 5.936 0.000 19.414) 20.301 7.576 ( 3.044 0.000 -23.981) 24.174 7.835 ( 2.786 0.000 16.510) 16.744 7.919 ( 6.962 0.000 1.939) 7.227 8.740 ( 5.312 0.000 14.963) 15.878 8.926 ( -2.226 0.000 25.023) 25.122 9.381 ( 11.318 0.000 27.506) 29.743 9.595 ( -8.905 0.000 -11.622) 14.641 9.669 ( 2.154 0.000 -9.572) 9.812 10.332 ( -4.165 0.000 0.556) 4.202 10.469 ( 1.353 0.000 -21.045) 21.088 10.561 ( 6.364 0.000 -1.835) 6.623 10.659 ( -4.737 0.000 -10.897) 11.882 11.117 ( 11.455 0.000 -21.111) 24.019 11.347 ( -11.434 0.000 14.415) 18.399 12.055 ( -21.035 0.000 -20.021) 29.040 12.358 ( -8.828 0.000 6.645) 11.050 12.537 ( -5.578 0.000 0.288) 5.585 13.057 ( -2.370 0.000 7.236) 7.614 13.094 ( 1.082 0.000 12.096) 12.145 13.322 ( 3.585 0.000 3.332) 4.894 13.346 ( -7.969 0.000 -3.742) 8.804 13.566 ( -2.049 0.000 -3.532) 4.083 13.738 ( 4.722 0.000 -14.062) 14.834 14.049 ( 3.512 0.000 -0.760) 3.593 14.123 ( -4.850 0.000 -3.004) 5.705 14.440 ( 10.868 0.000 19.142) 22.012 14.507 ( 4.771 0.000 7.865) 9.198 14.802 ( 4.124 0.000 2.508) 4.827 15.000 ( -1.063 0.000 8.120) 8.190 15.537 ( 2.870 0.000 -6.563) 7.163 15.565 ( 0.265 0.000 -4.264) 4.272 15.885 ( 9.192 0.000 -12.955) 15.885 16.183 ( -0.116 0.000 -5.738) 5.739 16.360 ( 3.646 0.000 7.049) 7.936 16.925 ( 3.073 0.000 25.617) 25.801 17.367 ( 12.320 0.000 -23.531) 26.561 17.979 ( 4.743 0.000 -22.412) 22.908 18.499 ( -1.950 0.000 20.901) 20.992 18.931 ( 2.387 0.000 15.706) 15.886 19.102 ( 2.134 0.000 4.613) 5.082 19.174 ( -0.317 0.000 -1.497) 1.530 19.284 ( 1.757 0.000 -4.127) 4.485 19.554 ( 19.106 0.000 -5.113) 19.778 20.669 ( -8.896 0.000 36.749) 37.810 21.281 ( -5.307 0.000 12.218) 13.320 21.579 ( -4.944 0.000 -2.836) 5.700 21.822 ( -15.423 0.000 -8.957) 17.836 ======================= Grid point 254 (83/120) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( -0.075 0.000 5.867) 5.867 2.716 ( -1.324 0.000 -5.704) 5.856 2.782 ( 7.904 0.000 15.337) 17.254 3.172 ( 3.811 0.000 1.104) 3.968 3.198 ( -4.707 0.000 4.240) 6.335 3.443 ( -5.961 0.000 -4.644) 7.557 3.486 ( -8.224 0.000 -12.218) 14.728 3.515 ( -2.887 0.000 -9.079) 9.527 3.752 ( -0.555 0.000 -0.543) 0.777 3.832 ( 2.164 0.000 -3.570) 4.175 4.538 ( 9.986 0.000 9.655) 13.890 4.692 ( 6.858 0.000 -0.150) 6.860 6.837 ( 9.813 0.000 17.713) 20.250 7.637 ( 2.044 0.000 -20.489) 20.591 7.865 ( 1.416 0.000 22.131) 22.176 8.155 ( 13.950 0.000 3.806) 14.460 8.865 ( 5.232 0.000 -3.705) 6.410 8.918 ( 1.926 0.000 26.108) 26.179 9.348 ( -13.862 0.000 -16.283) 21.384 9.588 ( 4.799 0.000 3.086) 5.705 9.771 ( 9.459 0.000 10.024) 13.783 10.209 ( -6.551 0.000 8.224) 10.515 10.516 ( 2.724 0.000 -15.898) 16.130 10.562 ( -0.941 0.000 10.591) 10.633 10.798 ( 11.158 0.000 -13.779) 17.730 11.075 ( -12.897 0.000 4.550) 13.676 11.327 ( 7.916 0.000 -22.773) 24.110 11.520 ( -27.325 0.000 -18.269) 32.870 12.150 ( -10.005 0.000 9.139) 13.550 12.366 ( -9.609 0.000 2.242) 9.867 13.002 ( -3.015 0.000 2.715) 4.057 13.147 ( 3.653 0.000 14.555) 15.006 13.209 ( -5.181 0.000 -4.982) 7.188 13.390 ( 1.994 0.000 4.904) 5.294 13.558 ( 1.557 0.000 -3.319) 3.666 13.832 ( 5.319 0.000 -17.872) 18.647 13.971 ( -6.298 0.000 2.949) 6.954 14.137 ( 3.189 0.000 -7.107) 7.789 14.570 ( 0.903 0.000 -0.580) 1.073 14.583 ( -1.374 0.000 15.502) 15.563 14.845 ( -2.328 0.000 -9.284) 9.571 15.023 ( 5.229 0.000 9.827) 11.132 15.617 ( 2.451 0.000 -9.040) 9.367 15.659 ( 10.925 0.000 11.683) 15.996 16.058 ( -3.576 0.000 -18.836) 19.172 16.161 ( 15.523 0.000 -12.257) 19.779 16.675 ( 20.085 0.000 26.588) 33.321 17.019 ( 5.744 0.000 27.247) 27.846 17.633 ( 11.711 0.000 -20.382) 23.507 18.110 ( 6.887 0.000 -23.081) 24.087 18.466 ( -0.755 0.000 15.261) 15.280 18.919 ( -5.001 0.000 -7.286) 8.837 19.166 ( 3.930 0.000 4.633) 6.075 19.290 ( 13.210 0.000 26.672) 29.764 19.336 ( 3.061 0.000 -3.343) 4.533 19.982 ( 18.458 0.000 -7.321) 19.857 20.433 ( -11.809 0.000 25.019) 27.666 21.131 ( -8.411 0.000 9.958) 13.035 21.373 ( -26.435 0.000 -7.978) 27.612 21.431 ( -8.954 0.000 -4.867) 10.191 ======================= Grid point 255 (84/120) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( 2.200 0.000 -0.801) 2.341 2.696 ( -0.949 0.000 -11.401) 11.440 2.916 ( 4.214 0.000 8.444) 9.437 3.092 ( -3.799 0.000 5.894) 7.012 3.231 ( -2.279 0.000 2.591) 3.451 3.284 ( -3.882 0.000 -8.075) 8.959 3.379 ( -7.967 0.000 -6.671) 10.391 3.387 ( -1.428 0.000 -5.380) 5.567 3.759 ( -0.573 0.000 -0.898) 1.065 3.820 ( -2.348 0.000 -2.178) 3.202 4.770 ( 11.021 0.000 8.586) 13.971 4.867 ( 8.213 0.000 2.831) 8.687 7.063 ( 11.518 0.000 13.838) 18.005 7.633 ( -2.883 0.000 -12.907) 13.225 7.935 ( 6.052 0.000 18.547) 19.510 8.455 ( 13.329 0.000 6.680) 14.909 8.850 ( -9.543 0.000 -18.885) 21.159 9.023 ( 8.259 0.000 21.776) 23.290 9.116 ( -4.829 0.000 -15.071) 15.826 9.605 ( -1.559 0.000 -3.310) 3.658 9.963 ( 5.829 0.000 12.558) 13.845 10.124 ( -0.500 0.000 20.042) 20.048 10.514 ( -6.610 0.000 -13.783) 15.286 10.520 ( -4.136 0.000 13.567) 14.184 10.855 ( -6.880 0.000 -2.028) 7.173 11.038 ( 11.438 0.000 -13.360) 17.588 11.060 ( -12.431 0.000 -12.507) 17.634 11.431 ( 2.027 0.000 -21.847) 21.941 11.978 ( -5.954 0.000 9.651) 11.340 12.163 ( -9.681 0.000 4.171) 10.541 12.944 ( -1.974 0.000 -0.640) 2.075 13.097 ( -5.870 0.000 -7.134) 9.239 13.224 ( 3.269 0.000 11.597) 12.049 13.397 ( -1.211 0.000 2.806) 3.057 13.628 ( 5.554 0.000 -0.634) 5.590 13.918 ( 1.882 0.000 1.946) 2.707 13.987 ( 8.461 0.000 -14.603) 16.877 14.183 ( 1.089 0.000 -9.912) 9.972 14.445 ( -7.943 0.000 10.983) 13.554 14.553 ( -2.238 0.000 -4.491) 5.018 14.712 ( -8.802 0.000 -11.314) 14.335 15.038 ( -7.822 0.000 -9.508) 12.313 15.705 ( 8.956 0.000 4.928) 10.223 15.991 ( 18.634 0.000 15.921) 24.509 16.074 ( 2.304 0.000 -7.818) 8.151 16.468 ( 11.951 0.000 -6.560) 13.633 17.119 ( 21.452 0.000 21.457) 30.342 17.164 ( 8.691 0.000 22.936) 24.527 17.809 ( 4.252 0.000 -12.075) 12.802 18.156 ( -6.611 0.000 -22.908) 23.843 18.501 ( 5.858 0.000 12.840) 14.113 18.843 ( 0.277 0.000 -2.630) 2.644 19.261 ( 5.002 0.000 4.574) 6.778 19.400 ( 2.630 0.000 -1.488) 3.022 19.620 ( 14.460 0.000 20.945) 25.451 20.114 ( -2.948 0.000 17.988) 18.228 20.386 ( 6.574 0.000 -13.174) 14.723 20.771 ( -29.602 0.000 -6.861) 30.386 20.964 ( -6.594 0.000 4.904) 8.218 21.219 ( -10.798 0.000 -7.048) 12.894 ======================= Grid point 256 (85/120) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 5.038 0.000 -5.172) 7.220 2.638 ( -4.946 0.000 -9.871) 11.041 2.976 ( 2.847 0.000 0.922) 2.993 3.075 ( -6.889 0.000 -3.570) 7.759 3.091 ( 3.882 0.000 0.740) 3.952 3.218 ( -7.298 0.000 -4.673) 8.666 3.335 ( 3.129 0.000 0.503) 3.169 3.376 ( -0.742 0.000 -1.324) 1.518 3.740 ( -0.143 0.000 -0.060) 0.155 3.767 ( -2.353 0.000 -0.908) 2.522 4.949 ( 5.390 0.000 7.503) 9.238 4.983 ( 2.198 0.000 5.622) 6.036 7.304 ( 11.213 0.000 7.073) 13.258 7.513 ( -8.285 0.000 -2.490) 8.651 8.133 ( 12.740 0.000 9.173) 15.699 8.442 ( -15.081 0.000 3.259) 15.429 8.829 ( 10.882 0.000 -13.609) 17.425 9.029 ( -6.616 0.000 -13.346) 14.896 9.255 ( 13.190 0.000 14.879) 19.883 9.507 ( -8.920 0.000 6.035) 10.770 10.037 ( 4.392 0.000 -1.970) 4.813 10.201 ( 7.276 0.000 21.350) 22.556 10.233 ( -14.328 0.000 -12.196) 18.816 10.381 ( -8.646 0.000 16.680) 18.787 10.861 ( 4.444 0.000 -2.808) 5.256 10.943 ( -3.065 0.000 -6.603) 7.279 11.264 ( 9.761 0.000 -13.441) 16.612 11.414 ( -3.930 0.000 -17.750) 18.180 11.910 ( -0.358 0.000 7.708) 7.717 11.978 ( -6.944 0.000 6.050) 9.210 12.932 ( 0.868 0.000 -3.664) 3.766 12.985 ( -4.210 0.000 -5.950) 7.289 13.285 ( 2.833 0.000 5.375) 6.076 13.348 ( -3.058 0.000 2.119) 3.720 13.800 ( 10.368 0.000 4.910) 11.472 14.015 ( -7.947 0.000 3.771) 8.796 14.031 ( 7.625 0.000 -4.847) 9.035 14.165 ( -3.682 0.000 -10.168) 10.814 14.456 ( 11.222 0.000 -9.669) 14.813 14.503 ( -1.425 0.000 -6.077) 6.242 14.543 ( -5.748 0.000 -8.022) 9.869 14.764 ( -15.780 0.000 -15.313) 21.989 15.927 ( 9.938 0.000 6.961) 12.133 16.071 ( -3.419 0.000 0.748) 3.500 16.360 ( 15.132 0.000 14.610) 21.034 16.568 ( -3.409 0.000 7.694) 8.416 17.436 ( 17.701 0.000 6.388) 18.819 17.530 ( 16.814 0.000 12.221) 20.786 17.784 ( -6.886 0.000 0.032) 6.886 17.847 ( -19.690 0.000 -8.374) 21.397 18.697 ( 10.905 0.000 6.223) 12.556 18.861 ( -2.580 0.000 0.053) 2.580 19.363 ( 4.354 0.000 4.053) 5.949 19.422 ( -0.901 0.000 1.791) 2.005 19.809 ( 9.320 0.000 13.727) 16.592 20.169 ( -22.968 0.000 3.622) 23.252 20.247 ( 11.262 0.000 -0.153) 11.263 20.442 ( -4.573 0.000 -14.755) 15.448 20.899 ( 1.100 0.000 -2.454) 2.689 21.008 ( -8.577 0.000 -7.115) 11.143 ======================= Grid point 261 (86/120) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( 0.000 -0.933 14.516) 14.546 2.516 ( 0.000 -4.322 12.796) 13.506 2.751 ( 0.000 2.810 9.399) 9.810 3.079 ( 0.000 -0.867 -0.701) 1.115 3.186 ( 0.000 2.036 -10.186) 10.387 3.397 ( 0.000 1.019 -13.991) 14.028 3.573 ( 0.000 -7.667 -3.160) 8.292 3.610 ( 0.000 -6.216 -4.258) 7.535 3.830 ( 0.000 -0.820 -0.663) 1.054 3.869 ( 0.000 5.021 -3.475) 6.107 4.224 ( 0.000 -5.246 11.708) 12.830 4.565 ( 0.000 -6.345 -6.633) 9.179 6.700 ( 0.000 8.817 17.469) 19.568 7.519 ( 0.000 -2.515 -21.886) 22.030 7.773 ( 0.000 0.486 12.405) 12.415 7.920 ( 0.000 4.818 1.449) 5.031 8.676 ( 0.000 0.539 23.815) 23.821 9.020 ( 0.000 4.216 19.298) 19.753 9.134 ( 0.000 -8.777 33.670) 34.795 9.608 ( 0.000 -4.155 -10.148) 10.966 9.733 ( 0.000 4.881 -9.793) 10.942 10.198 ( 0.000 -12.766 -14.426) 19.263 10.423 ( 0.000 -0.083 -0.062) 0.103 10.582 ( 0.000 1.314 -10.467) 10.549 10.876 ( 0.000 8.442 -11.286) 14.095 11.055 ( 0.000 12.526 -14.694) 19.308 11.520 ( 0.000 3.570 11.748) 12.279 12.249 ( 0.000 -4.622 -16.370) 17.010 12.400 ( 0.000 -6.100 4.616) 7.650 12.551 ( 0.000 -3.616 -5.970) 6.979 12.958 ( 0.000 -4.930 13.114) 14.010 13.206 ( 0.000 -7.768 2.426) 8.139 13.307 ( 0.000 12.270 4.230) 12.979 13.505 ( 0.000 5.600 -8.525) 10.199 13.646 ( 0.000 0.398 -3.133) 3.159 13.682 ( 0.000 -6.180 -1.062) 6.270 13.822 ( 0.000 -2.149 -2.040) 2.963 13.904 ( 0.000 -15.330 -2.004) 15.460 14.463 ( 0.000 2.123 12.351) 12.532 14.544 ( 0.000 14.028 14.050) 19.854 14.747 ( 0.000 -0.797 5.668) 5.724 15.148 ( 0.000 8.558 -5.269) 10.050 15.637 ( 0.000 7.888 -9.726) 12.523 15.645 ( 0.000 13.673 7.652) 15.668 15.889 ( 0.000 7.700 -10.884) 13.333 16.160 ( 0.000 6.710 26.629) 27.462 16.545 ( 0.000 11.402 -26.789) 29.114 16.828 ( 0.000 -5.526 18.050) 18.877 17.265 ( 0.000 4.405 -18.192) 18.718 17.895 ( 0.000 -3.326 -23.488) 23.722 18.471 ( 0.000 -4.903 26.612) 27.060 18.633 ( 0.000 -30.080 4.161) 30.367 18.715 ( 0.000 -16.725 7.075) 18.160 19.059 ( 0.000 -10.009 -8.527) 13.149 19.355 ( 0.000 5.502 10.007) 11.420 19.623 ( 0.000 14.134 -1.409) 14.204 20.802 ( 0.000 3.576 35.105) 35.287 21.306 ( 0.000 -3.124 12.588) 12.970 21.656 ( 0.000 2.398 -1.956) 3.095 21.963 ( 0.000 -2.270 -8.387) 8.689 ======================= Grid point 262 (87/120) ======================= q-point: ( 0.11 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( -0.565 0.266 9.652) 9.672 2.574 ( 5.141 -5.047 11.548) 13.610 2.745 ( -0.620 1.880 4.345) 4.775 3.043 ( -1.737 -4.600 -1.099) 5.039 3.261 ( 4.246 2.898 -3.189) 6.049 3.455 ( 1.021 1.042 -6.256) 6.424 3.565 ( 1.228 -6.068 -5.765) 8.460 3.600 ( 0.641 -4.218 -5.992) 7.355 3.768 ( -5.331 -0.392 -1.910) 5.676 3.826 ( -3.180 4.047 -4.231) 6.663 4.289 ( 5.402 -6.735 9.793) 13.055 4.550 ( -0.670 -6.928 -4.682) 8.388 6.778 ( 7.186 10.076 17.341) 21.304 7.576 ( 5.033 -0.832 -20.764) 21.381 7.845 ( 4.939 1.049 17.252) 17.975 7.961 ( 4.961 4.962 2.360) 7.403 8.738 ( 5.652 0.532 13.730) 14.857 8.904 ( -4.973 -2.729 26.853) 27.445 9.314 ( 8.936 -4.633 16.984) 19.742 9.617 ( -3.080 0.620 -1.421) 3.448 9.662 ( 0.223 0.158 -12.358) 12.361 10.235 ( 1.209 -6.658 -5.131) 8.492 10.469 ( 3.158 -2.917 -12.349) 13.076 10.600 ( 2.824 -0.410 -9.199) 9.632 10.732 ( -8.220 10.358 -1.438) 13.301 11.128 ( 0.730 3.791 -8.649) 9.472 11.471 ( -1.868 9.598 0.459) 9.789 12.050 ( -17.607 -2.059 -16.664) 24.329 12.291 ( -8.999 -5.496 4.395) 11.424 12.486 ( -7.355 -4.645 -2.940) 9.182 12.948 ( -0.922 -6.232 7.859) 10.072 13.174 ( -8.395 -7.151 -1.699) 11.158 13.222 ( 0.916 5.346 9.076) 10.574 13.495 ( 0.159 10.032 4.347) 10.934 13.610 ( -1.842 -6.805 -2.270) 7.406 13.740 ( 5.641 3.147 -7.468) 9.874 13.907 ( 7.507 -2.064 -4.932) 9.216 14.027 ( 3.746 -7.102 -7.534) 11.011 14.397 ( -0.903 -0.219 14.668) 14.697 14.686 ( 8.452 10.196 9.594) 16.354 14.777 ( 2.400 -2.009 2.986) 4.326 15.166 ( 1.103 10.445 -3.476) 11.064 15.573 ( -5.331 6.705 0.886) 8.612 15.647 ( 3.252 8.925 2.865) 9.921 15.980 ( 7.969 8.084 -11.263) 15.991 16.304 ( 5.462 10.328 5.546) 12.932 16.409 ( -3.038 4.960 -1.584) 6.028 16.897 ( 5.387 -1.636 18.967) 19.785 17.405 ( 11.221 3.093 -20.168) 23.286 17.939 ( 4.231 -3.928 -22.484) 23.213 18.479 ( 0.786 -1.625 19.908) 19.990 18.703 ( 4.338 -28.198 2.603) 28.648 18.779 ( 7.247 -14.729 10.302) 19.380 19.051 ( -1.135 -10.931 -7.483) 13.295 19.359 ( 0.055 3.240 12.630) 13.039 19.746 ( 11.688 10.542 -3.881) 16.211 20.717 ( -7.706 4.688 32.148) 33.389 21.250 ( -5.175 -2.950 11.861) 13.273 21.601 ( -5.249 2.132 -2.875) 6.353 21.809 ( -14.266 -1.179 -8.032) 16.414 ======================= Grid point 263 (88/120) ======================= q-point: ( 0.22 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 0.540 2.263 2.540) 3.444 2.673 ( 1.695 -5.204 -3.208) 6.344 2.761 ( 4.252 0.345 7.738) 8.836 3.020 ( -0.712 -8.846 1.866) 9.068 3.281 ( -1.594 1.873 4.050) 4.738 3.387 ( -5.322 -2.916 -2.334) 6.502 3.532 ( -6.959 4.848 -5.936) 10.352 3.635 ( -5.469 5.942 -8.125) 11.455 3.683 ( 4.179 -5.576 -2.465) 7.392 3.808 ( 1.220 -1.558 -5.459) 5.806 4.429 ( 8.126 -9.864 8.101) 15.132 4.586 ( 4.788 -9.583 -1.023) 10.761 6.981 ( 11.674 13.302 16.444) 24.158 7.699 ( 5.805 4.376 -17.784) 19.212 7.904 ( 1.879 4.066 22.034) 22.485 8.164 ( 12.924 2.577 3.945) 13.756 8.851 ( 1.363 -5.614 24.098) 24.781 8.882 ( 5.517 1.562 -1.178) 5.853 9.286 ( -10.099 -4.377 -12.269) 16.483 9.582 ( -0.476 -0.842 -0.586) 1.131 9.805 ( 10.525 0.822 8.656) 13.652 10.198 ( -4.205 -1.250 6.556) 7.888 10.464 ( -2.546 -1.231 -6.110) 6.732 10.613 ( -1.419 -2.488 -6.317) 6.936 10.782 ( 11.060 0.069 -5.571) 12.384 11.021 ( -8.261 2.014 0.795) 8.540 11.487 ( -1.720 10.266 -17.005) 19.938 11.616 ( -18.197 8.459 -14.785) 24.925 12.079 ( -10.126 -6.088 6.807) 13.635 12.276 ( -10.781 -7.591 1.095) 13.231 12.897 ( -3.785 -9.050 0.022) 9.809 13.027 ( -5.757 -13.460 -4.284) 15.253 13.284 ( 4.875 11.619 14.002) 18.837 13.506 ( 0.189 7.519 3.585) 8.332 13.616 ( 2.556 -0.121 0.197) 2.566 13.868 ( 3.919 2.336 -7.168) 8.497 13.997 ( -2.096 1.005 -6.084) 6.513 14.037 ( 4.255 3.377 -8.780) 10.325 14.438 ( 2.293 -6.657 6.115) 9.325 14.784 ( -2.079 -1.589 -4.910) 5.564 14.880 ( 8.581 8.403 5.267) 13.114 15.113 ( -5.273 13.598 6.170) 15.836 15.566 ( 4.534 -3.341 -6.779) 8.814 15.820 ( 12.678 11.606 13.095) 21.608 16.022 ( -6.274 4.706 -19.757) 21.256 16.274 ( 5.722 3.798 -5.737) 8.949 16.695 ( 18.584 2.127 25.041) 31.256 17.054 ( 9.835 3.945 19.801) 22.458 17.649 ( 10.755 0.839 -18.148) 21.112 18.065 ( 7.131 -4.151 -21.887) 23.390 18.491 ( 0.154 2.500 13.381) 13.613 18.768 ( 1.647 -17.404 -0.534) 17.490 18.981 ( 6.403 -11.361 2.596) 13.297 19.034 ( 3.626 -18.281 -0.707) 18.651 19.380 ( 3.749 -1.952 23.813) 24.185 20.050 ( 14.795 2.656 -7.952) 17.005 20.514 ( -10.343 7.572 22.594) 25.977 21.103 ( -8.438 -2.364 8.708) 12.354 21.380 ( -21.707 1.355 -6.314) 22.648 21.467 ( -10.931 2.776 -5.421) 12.513 ======================= Grid point 264 (89/120) ======================= q-point: ( 0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( 2.307 3.257 -1.819) 4.387 2.673 ( -0.690 -2.364 -9.771) 10.077 2.859 ( 3.409 -3.262 4.686) 6.650 3.022 ( 1.350 -6.880 3.694) 7.925 3.235 ( -3.088 -0.061 2.785) 4.159 3.263 ( -6.948 -4.357 -0.274) 8.206 3.372 ( -5.333 5.473 -5.172) 9.227 3.508 ( -5.516 5.442 -7.951) 11.102 3.748 ( 1.037 -0.559 -1.758) 2.117 3.806 ( -1.108 -0.950 -2.633) 3.010 4.623 ( 9.451 -13.622 7.446) 18.175 4.719 ( 6.441 -13.403 1.919) 14.994 7.243 ( 12.859 16.724 13.571) 25.084 7.774 ( 0.362 12.494 -12.112) 17.405 7.982 ( 6.556 4.828 18.712) 20.407 8.442 ( 12.302 0.411 7.093) 14.206 8.897 ( -6.792 3.283 -13.965) 15.872 8.937 ( 5.666 -5.831 14.295) 16.445 9.092 ( -3.538 -2.426 -10.397) 11.247 9.542 ( -3.226 -5.998 -3.521) 7.666 9.925 ( -0.584 -5.229 10.716) 11.938 10.175 ( 3.632 4.248 16.502) 17.422 10.373 ( -8.528 -7.104 -0.998) 11.144 10.561 ( -4.614 -5.479 -5.377) 8.957 10.903 ( -0.352 7.944 0.338) 7.959 11.013 ( 8.698 0.609 -8.681) 12.304 11.207 ( -9.445 10.242 -7.538) 15.841 11.535 ( -2.180 9.224 -19.619) 21.788 11.909 ( -5.594 -5.691 7.045) 10.645 12.077 ( -8.445 -7.375 2.632) 11.517 12.822 ( -2.944 -11.219 -3.422) 12.093 12.907 ( -5.615 -14.210 -5.972) 16.404 13.385 ( 3.518 13.200 11.715) 17.996 13.500 ( -0.759 7.807 1.511) 7.988 13.704 ( 5.670 3.938 1.082) 6.988 13.874 ( 1.670 -0.459 -1.444) 2.255 14.014 ( 0.093 -8.200 -4.208) 9.217 14.142 ( 6.626 14.378 -13.274) 20.660 14.441 ( -2.153 -2.679 -1.342) 3.690 14.647 ( -10.983 -4.157 -10.894) 16.018 14.906 ( -2.030 28.139 3.056) 28.377 15.153 ( 3.590 5.545 2.481) 7.056 15.627 ( 2.314 -0.950 -2.683) 3.668 15.943 ( 1.241 -9.224 -8.602) 12.673 16.149 ( 15.294 10.090 12.291) 22.063 16.411 ( 6.028 -6.780 -0.160) 9.073 17.092 ( 18.267 -0.481 18.095) 25.716 17.302 ( 13.564 9.208 16.628) 23.351 17.808 ( 3.600 -0.450 -10.367) 10.983 18.158 ( -1.549 0.877 -18.553) 18.638 18.510 ( 3.685 0.774 11.288) 11.899 18.785 ( 1.696 -5.564 -1.309) 5.962 19.035 ( 2.907 -20.001 3.007) 20.433 19.118 ( -0.628 -19.265 0.021) 19.275 19.594 ( 14.947 -7.364 24.176) 29.362 20.243 ( 2.040 4.540 4.249) 6.544 20.362 ( -3.462 0.712 0.113) 3.536 20.836 ( -20.230 6.912 -9.383) 23.347 20.984 ( -8.118 2.000 4.621) 9.553 21.248 ( -10.659 2.503 -7.155) 13.080 ======================= Grid point 265 (90/120) ======================= q-point: ( 0.44 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 3.961 2.331 -3.869) 6.007 2.631 ( -3.445 -0.487 -6.696) 7.546 2.934 ( 4.667 -2.771 -2.582) 6.010 3.046 ( -2.857 -3.651 -6.312) 7.832 3.107 ( -1.782 0.234 4.974) 5.289 3.171 ( -4.097 -2.810 2.464) 5.545 3.345 ( 1.700 0.814 -3.289) 3.791 3.410 ( -4.008 2.307 -5.507) 7.191 3.757 ( 0.644 1.746 0.041) 1.862 3.780 ( -1.330 1.532 -0.657) 2.132 4.779 ( 4.736 -15.732 6.552) 17.688 4.810 ( 1.711 -15.747 4.719) 16.528 7.501 ( 11.430 18.450 7.596) 22.995 7.701 ( -7.093 17.580 -1.731) 19.036 8.189 ( 12.886 5.709 9.535) 17.017 8.481 ( -12.337 4.003 5.837) 14.223 8.828 ( 7.938 1.058 -15.341) 17.305 8.994 ( -4.811 -2.702 -11.141) 12.432 9.178 ( 11.574 -7.333 12.020) 18.226 9.419 ( -9.335 -8.436 3.852) 13.159 9.929 ( 3.336 -8.952 3.726) 10.254 10.095 ( -12.187 -8.646 -3.172) 15.276 10.298 ( 5.775 3.326 11.794) 13.546 10.440 ( -6.973 0.985 6.730) 9.741 10.964 ( 4.188 10.604 -1.929) 11.563 11.032 ( -2.362 8.552 -5.240) 10.304 11.280 ( 9.193 0.560 -7.394) 11.810 11.447 ( -6.152 2.664 -13.039) 14.661 11.851 ( 0.118 -3.842 3.991) 5.541 11.919 ( -6.112 -4.122 2.813) 7.891 12.784 ( -0.442 -12.832 -5.942) 14.148 12.811 ( -3.122 -13.711 -6.729) 15.589 13.427 ( 1.471 10.657 6.323) 12.479 13.467 ( -2.164 10.227 3.312) 10.966 13.840 ( 6.759 1.202 2.147) 7.193 13.958 ( -3.259 -4.237 -0.122) 5.347 14.033 ( 10.727 0.394 -5.066) 11.870 14.267 ( 0.057 11.144 -7.323) 13.334 14.330 ( -5.720 -0.020 -9.563) 11.143 14.420 ( -7.301 -3.712 -7.787) 11.302 14.932 ( 4.741 28.197 -4.226) 28.903 15.080 ( -7.915 22.879 -8.773) 25.750 15.772 ( 9.512 -11.611 7.550) 16.802 15.928 ( -4.235 -12.293 2.812) 13.302 16.417 ( 8.976 1.912 7.617) 11.926 16.497 ( 1.074 -7.745 2.583) 8.235 17.426 ( 13.612 -1.973 7.436) 15.636 17.565 ( 6.536 -0.133 4.559) 7.970 17.809 ( 0.490 8.122 4.759) 9.426 17.989 ( -11.636 11.261 -0.096) 16.193 18.664 ( 9.322 -3.188 5.207) 11.143 18.817 ( -2.498 -4.126 0.047) 4.823 19.064 ( 0.925 -25.245 2.298) 25.366 19.097 ( -0.265 -21.859 1.883) 21.942 19.872 ( 11.276 -5.473 16.664) 20.851 20.148 ( -15.218 -8.778 7.251) 19.006 20.335 ( 8.277 11.837 -3.882) 14.956 20.535 ( -9.490 11.623 -15.630) 21.666 20.927 ( 1.861 2.251 -1.849) 3.457 21.042 ( -8.408 2.803 -6.821) 11.184 ======================= Grid point 270 (91/120) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 0.000 -1.362 -1.742) 2.211 2.436 ( 0.000 -2.264 -1.044) 2.493 2.915 ( 0.000 10.857 14.461) 18.083 2.962 ( 0.000 -9.961 -2.193) 10.199 3.183 ( 0.000 -11.673 -14.652) 18.733 3.359 ( 0.000 -4.577 7.807) 9.050 3.451 ( 0.000 1.397 -5.839) 6.004 3.478 ( 0.000 -1.276 0.337) 1.320 3.884 ( 0.000 3.467 -3.223) 4.734 3.944 ( 0.000 2.332 -3.324) 4.060 4.120 ( 0.000 -4.301 6.413) 7.721 4.407 ( 0.000 -9.150 -7.119) 11.593 6.897 ( 0.000 10.122 10.995) 14.945 7.428 ( 0.000 -6.718 -16.034) 17.384 7.828 ( 0.000 5.268 15.026) 15.923 8.016 ( 0.000 3.742 2.752) 4.645 8.723 ( 0.000 4.076 21.367) 21.752 8.971 ( 0.000 -6.480 28.734) 29.455 9.113 ( 0.000 5.186 16.102) 16.917 9.489 ( 0.000 -7.486 -6.455) 9.885 9.885 ( 0.000 9.934 -10.150) 14.202 9.992 ( 0.000 -7.320 -11.332) 13.491 10.339 ( 0.000 -7.373 4.484) 8.629 10.545 ( 0.000 -4.516 -6.502) 7.916 11.137 ( 0.000 16.411 -3.186) 16.717 11.322 ( 0.000 13.113 -11.978) 17.760 11.600 ( 0.000 4.229 -1.114) 4.374 12.108 ( 0.000 -9.565 -12.874) 16.038 12.262 ( 0.000 -7.112 4.400) 8.363 12.420 ( 0.000 -9.967 -10.366) 14.380 12.881 ( 0.000 -3.109 7.427) 8.051 13.017 ( 0.000 -9.989 -0.750) 10.017 13.414 ( 0.000 -10.233 -0.141) 10.234 13.478 ( 0.000 -0.295 -3.755) 3.767 13.622 ( 0.000 3.980 -1.113) 4.133 13.653 ( 0.000 -4.499 -3.390) 5.633 13.735 ( 0.000 8.577 7.128) 11.153 13.989 ( 0.000 9.480 -3.161) 9.993 14.525 ( 0.000 3.969 6.694) 7.782 14.713 ( 0.000 -1.460 4.075) 4.328 14.806 ( 0.000 11.364 10.049) 15.170 15.246 ( 0.000 1.799 -7.630) 7.839 15.852 ( 0.000 13.008 -4.005) 13.611 16.022 ( 0.000 20.235 11.782) 23.415 16.066 ( 0.000 10.607 -2.956) 11.011 16.320 ( 0.000 8.560 24.803) 26.239 16.732 ( 0.000 -2.109 8.970) 9.214 16.842 ( 0.000 17.477 -25.408) 30.838 17.340 ( 0.000 2.417 -12.418) 12.651 17.798 ( 0.000 -6.537 -23.635) 24.523 18.019 ( 0.000 -31.124 8.435) 32.247 18.305 ( 0.000 -17.279 17.034) 24.264 18.408 ( 0.000 -7.107 4.004) 8.157 18.798 ( 0.000 -15.339 -1.895) 15.455 19.446 ( 0.000 4.526 16.342) 16.958 19.785 ( 0.000 2.052 0.435) 2.098 20.899 ( 0.000 5.985 26.018) 26.698 21.227 ( 0.000 -4.584 12.513) 13.326 21.716 ( 0.000 3.445 -2.061) 4.015 21.908 ( 0.000 -3.105 -6.260) 6.988 ======================= Grid point 271 (92/120) ======================= q-point: ( 0.11 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 2.446 0.115 -2.764) 3.693 2.478 ( 3.795 -3.008 -1.273) 5.007 2.854 ( -4.072 7.261 5.102) 9.764 2.906 ( -3.516 -9.409 -1.030) 10.097 3.286 ( 3.913 -17.687 -2.541) 18.292 3.334 ( -0.818 2.265 3.763) 4.468 3.450 ( 1.664 -2.512 -0.727) 3.099 3.549 ( 5.086 2.515 -2.080) 6.043 3.837 ( -4.146 3.956 -5.305) 7.809 3.897 ( -4.176 2.411 -4.657) 6.704 4.152 ( 2.773 -5.743 5.785) 8.610 4.385 ( -1.599 -9.102 -5.442) 10.725 7.001 ( 9.664 11.267 11.306) 18.659 7.516 ( 8.019 -5.364 -14.595) 17.496 7.909 ( 6.365 5.903 17.956) 19.944 8.083 ( 6.422 5.683 3.900) 9.421 8.774 ( 4.121 2.688 14.437) 15.252 8.842 ( -5.427 -2.094 26.110) 26.750 9.252 ( 5.056 -1.348 7.176) 8.881 9.543 ( 6.468 -6.640 -1.978) 9.479 9.740 ( -7.717 6.436 -5.322) 11.371 10.139 ( 5.903 -1.894 -6.339) 8.866 10.340 ( 1.455 -9.310 -2.861) 9.848 10.534 ( -1.280 -5.944 -7.448) 9.615 11.008 ( -10.277 15.757 -0.314) 18.814 11.286 ( -2.837 11.282 -2.735) 11.951 11.637 ( 1.758 5.126 -9.900) 11.286 11.923 ( -11.542 -9.228 -3.281) 15.137 12.212 ( -7.250 -2.557 -5.826) 9.646 12.358 ( -6.792 -8.356 -10.151) 14.798 12.855 ( -4.764 -2.804 5.656) 7.909 13.027 ( -13.576 -5.259 -1.986) 14.694 13.226 ( 6.852 -9.209 2.926) 11.846 13.338 ( -0.411 -11.374 -2.453) 11.643 13.726 ( -0.605 12.264 8.628) 15.007 13.819 ( 9.148 3.491 0.207) 9.793 13.911 ( 10.799 -1.308 -2.889) 11.255 14.078 ( 8.619 10.648 -7.205) 15.478 14.445 ( -5.379 4.715 7.549) 10.399 14.717 ( 0.001 -3.610 1.894) 4.076 14.868 ( 4.167 8.568 5.058) 10.787 15.265 ( 2.394 0.845 -11.161) 11.446 15.792 ( -6.065 12.587 4.173) 14.582 15.960 ( -0.632 21.077 14.319) 25.488 16.134 ( 4.798 6.318 -2.522) 8.325 16.454 ( 7.461 3.048 19.782) 21.361 16.584 ( -8.048 12.787 -9.726) 17.969 16.945 ( 8.182 8.487 0.606) 11.805 17.443 ( 7.997 -0.402 -14.723) 16.760 17.834 ( 4.126 -6.114 -20.525) 21.810 18.101 ( 6.729 -31.063 8.380) 32.870 18.420 ( 10.084 -17.291 10.444) 22.578 18.469 ( 5.504 -2.605 4.682) 7.682 18.811 ( 0.609 -12.561 -0.788) 12.600 19.400 ( -4.196 2.428 18.080) 18.719 19.840 ( 5.253 -1.449 -2.055) 5.823 20.837 ( -5.569 7.062 24.079) 25.703 21.177 ( -4.509 -4.118 11.672) 13.173 21.654 ( -5.931 2.993 -3.101) 7.331 21.782 ( -11.452 -1.461 -6.105) 13.060 ======================= Grid point 272 (93/120) ======================= q-point: ( 0.22 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 3.039 3.229 -4.373) 6.228 2.568 ( 3.933 -3.504 -3.729) 6.454 2.807 ( 0.379 1.279 0.619) 1.471 2.847 ( -1.854 -6.644 0.345) 6.906 3.240 ( -3.909 -7.939 8.149) 12.030 3.311 ( -3.470 -4.058 1.639) 5.585 3.564 ( 2.931 -2.459 -1.164) 3.999 3.608 ( 0.963 1.498 -1.543) 2.356 3.749 ( -3.149 4.169 -7.481) 9.126 3.803 ( -3.098 0.892 -8.298) 8.902 4.223 ( 3.849 -9.083 5.401) 11.247 4.374 ( 1.174 -10.674 -2.144) 10.951 7.275 ( 15.762 14.454 12.013) 24.529 7.736 ( 12.294 -1.166 -10.777) 16.390 8.023 ( 4.366 8.198 21.837) 23.730 8.295 ( 13.170 8.637 3.251) 16.081 8.737 ( -1.957 -3.480 25.358) 25.670 8.940 ( 8.066 3.101 -1.328) 8.743 9.229 ( -5.817 -0.512 -7.728) 9.686 9.576 ( -7.858 1.220 -6.078) 10.009 9.748 ( 9.114 -5.806 7.740) 13.292 10.150 ( -2.949 -3.735 3.696) 6.026 10.391 ( -0.453 -7.852 -11.035) 13.551 10.459 ( -6.253 -10.978 -7.575) 14.731 10.872 ( 0.815 10.404 7.444) 12.819 11.214 ( -3.350 14.250 -2.236) 14.808 11.565 ( -8.042 -3.752 -1.305) 8.970 11.811 ( 0.370 8.911 -11.878) 14.854 11.980 ( -13.094 -2.782 -2.940) 13.705 12.139 ( -12.141 -4.065 -7.098) 14.639 12.698 ( -8.279 -10.278 -3.413) 13.632 12.755 ( -9.001 -13.326 -5.040) 16.852 13.443 ( 10.686 1.369 3.689) 11.388 13.500 ( 11.661 -6.865 1.096) 13.576 13.693 ( -2.439 11.756 8.289) 14.589 13.943 ( 1.305 2.567 2.213) 3.632 14.014 ( 0.719 3.713 -4.258) 5.695 14.298 ( 10.786 13.687 -7.584) 19.005 14.365 ( -1.373 2.279 6.047) 6.607 14.698 ( -2.265 -4.528 -6.685) 8.386 14.968 ( 6.196 3.785 3.638) 8.121 15.367 ( 7.233 -0.329 -12.674) 14.596 15.637 ( -6.233 18.399 9.361) 21.564 16.058 ( 6.300 10.965 12.779) 17.979 16.180 ( -1.332 2.100 -5.242) 5.802 16.319 ( -8.092 8.874 -4.258) 12.742 16.752 ( 14.187 3.357 15.844) 21.531 17.171 ( 12.533 7.141 6.643) 15.881 17.614 ( 7.900 -5.426 -11.401) 14.894 17.988 ( 10.271 -2.479 -16.211) 19.350 18.252 ( 7.143 -26.688 9.624) 29.255 18.599 ( 6.190 -8.227 -5.840) 11.837 18.663 ( 9.084 -5.786 9.290) 14.223 18.813 ( 1.135 -7.216 1.501) 7.457 19.298 ( -3.975 -3.666 24.500) 25.090 19.978 ( 6.336 -10.361 -6.533) 13.790 20.693 ( -7.397 9.613 18.546) 22.160 21.056 ( -6.519 -2.540 8.645) 11.122 21.431 ( -16.736 3.518 -5.678) 18.020 21.517 ( -10.756 1.972 -5.842) 12.398 ======================= Grid point 273 (94/120) ======================= q-point: ( 0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 1.920 3.238 -3.836) 5.375 2.629 ( 1.919 -0.236 -3.660) 4.140 2.832 ( 0.730 -2.355 -0.146) 2.470 2.870 ( 4.473 -5.324 -2.318) 7.330 3.153 ( -4.421 -5.649 9.837) 12.175 3.229 ( -3.697 -1.659 1.392) 4.284 3.458 ( -7.238 2.510 -5.086) 9.195 3.574 ( -6.323 0.897 -7.415) 9.786 3.758 ( 2.621 1.638 -3.080) 4.364 3.802 ( 1.934 0.775 -3.390) 3.979 4.319 ( 5.211 -14.814 5.696) 16.705 4.424 ( 2.674 -14.748 0.530) 14.998 7.623 ( 16.612 19.002 12.267) 28.063 7.998 ( 11.476 7.274 -7.121) 15.340 8.134 ( 7.318 10.707 18.207) 22.354 8.565 ( 10.293 12.818 2.816) 16.678 8.752 ( 4.096 -8.577 20.898) 22.958 9.052 ( 0.246 1.027 -7.750) 7.821 9.067 ( -7.971 9.380 -15.956) 20.152 9.404 ( -7.650 -6.594 -2.211) 10.339 9.786 ( -5.475 -7.724 4.223) 10.367 10.118 ( -0.596 -11.020 1.216) 11.103 10.245 ( -10.564 -7.650 -2.366) 13.256 10.359 ( -2.462 -14.600 -3.400) 15.192 11.005 ( 9.763 6.800 8.374) 14.550 11.199 ( 1.713 12.784 -1.239) 12.958 11.394 ( -7.322 7.231 3.308) 10.810 11.689 ( -11.604 1.953 -5.118) 12.832 11.853 ( 0.132 4.196 -9.396) 10.291 11.955 ( -4.666 -2.599 -5.104) 7.388 12.553 ( -5.221 -14.868 -7.577) 17.485 12.616 ( -5.204 -14.670 -7.936) 17.472 13.629 ( -0.941 6.978 2.020) 7.325 13.669 ( 8.290 4.527 -0.833) 9.482 13.711 ( 6.106 6.890 10.067) 13.642 13.877 ( -3.242 -3.420 -4.099) 6.246 14.008 ( -1.224 5.921 2.430) 6.516 14.393 ( 3.756 2.678 0.205) 4.617 14.494 ( 6.978 13.871 -6.033) 16.658 14.595 ( -7.922 1.631 -11.414) 13.989 15.150 ( 10.872 -1.772 8.697) 14.035 15.502 ( 3.243 26.563 -1.285) 26.791 15.599 ( 3.477 -2.725 -1.741) 4.748 15.989 ( -9.721 16.072 -11.139) 21.838 16.172 ( 1.462 -12.013 4.720) 12.989 16.319 ( 4.191 1.981 3.574) 5.854 17.059 ( 14.315 -3.969 11.730) 18.927 17.405 ( 7.802 -1.712 1.060) 8.057 17.793 ( 10.366 -0.406 3.372) 10.908 18.208 ( 8.627 2.773 -6.326) 11.051 18.402 ( 7.552 -14.467 6.242) 17.473 18.633 ( -2.713 -15.150 0.730) 15.409 18.744 ( 2.350 1.513 3.015) 4.111 18.841 ( -3.517 -3.765 -0.914) 5.233 19.356 ( 10.367 -15.025 24.642) 30.667 20.026 ( -3.245 -18.548 -5.177) 19.529 20.572 ( -2.919 12.459 10.196) 16.362 20.937 ( -4.324 0.941 1.263) 4.602 21.081 ( -14.251 8.221 -5.779) 17.437 21.295 ( -10.617 1.774 -7.638) 13.199 ======================= Grid point 274 (95/120) ======================= q-point: ( 0.44 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( 2.169 2.101 -0.925) 3.158 2.638 ( -1.116 2.071 -0.007) 2.352 2.878 ( 3.682 -4.230 -1.643) 5.844 2.942 ( 0.077 -5.627 -5.780) 8.067 3.085 ( 0.115 -0.999 7.160) 7.230 3.155 ( -4.052 1.361 -0.427) 4.296 3.357 ( -0.718 -0.367 -7.265) 7.309 3.430 ( -6.368 -0.651 -7.769) 10.067 3.808 ( 2.178 3.479 0.208) 4.110 3.832 ( 0.214 3.785 -0.394) 3.812 4.417 ( 3.590 -18.816 4.836) 19.756 4.455 ( -0.023 -18.261 3.020) 18.509 7.938 ( 12.841 23.115 9.445) 28.079 8.112 ( -2.097 21.130 1.279) 21.272 8.360 ( 13.418 11.808 9.275) 20.137 8.613 ( -7.074 10.150 9.233) 15.437 8.903 ( 2.923 3.053 -12.302) 13.007 8.919 ( 2.583 -3.633 -0.173) 4.461 9.053 ( 1.622 -0.956 -4.024) 4.442 9.222 ( -10.675 -9.867 0.519) 14.546 9.722 ( 1.995 -11.328 2.361) 11.742 9.884 ( -13.111 -11.914 -5.314) 18.495 10.241 ( 3.665 -11.386 4.745) 12.869 10.312 ( -2.840 -14.641 0.035) 14.914 11.205 ( 6.344 9.801 5.430) 12.876 11.232 ( 0.791 11.335 -0.364) 11.369 11.314 ( 2.065 4.847 3.181) 6.155 11.473 ( -9.374 0.324 3.065) 9.868 11.856 ( 0.850 4.884 -8.058) 9.461 11.894 ( -2.388 2.409 -7.319) 8.067 12.492 ( -0.445 -15.648 -9.195) 18.155 12.526 ( -3.264 -14.519 -9.400) 17.602 13.617 ( 0.997 7.808 3.150) 8.479 13.678 ( -4.507 8.784 3.192) 10.376 13.804 ( 4.649 -2.907 -1.376) 5.653 13.885 ( -2.473 -3.459 -1.809) 4.621 14.091 ( 11.706 6.181 0.569) 13.250 14.365 ( -12.823 4.230 -5.583) 14.611 14.497 ( 5.212 9.826 -3.733) 11.733 14.568 ( -0.577 15.007 -6.580) 16.397 15.382 ( 10.259 0.479 9.894) 14.261 15.525 ( -2.077 22.176 3.423) 22.535 15.674 ( 3.641 4.475 -3.101) 6.550 15.800 ( -7.895 17.063 -7.696) 20.315 16.250 ( 5.922 -16.466 -2.257) 17.643 16.351 ( -2.088 -9.345 -2.674) 9.941 17.316 ( 9.699 -10.767 4.873) 15.289 17.451 ( -2.874 -12.469 -1.334) 12.865 18.055 ( 13.232 12.402 14.319) 23.107 18.261 ( -4.477 14.806 10.826) 18.880 18.547 ( 4.460 -10.190 3.028) 11.528 18.602 ( -0.178 -17.336 4.289) 17.860 18.720 ( -1.748 -10.147 -0.400) 10.304 18.767 ( -2.322 0.421 -0.863) 2.513 19.606 ( 11.810 -18.808 14.112) 26.313 19.851 ( -11.529 -19.573 4.068) 23.077 20.607 ( 6.222 13.297 -1.685) 14.777 20.791 ( -10.050 12.190 -10.630) 19.042 20.962 ( 2.771 0.859 -1.048) 3.084 21.090 ( -8.548 1.542 -6.739) 10.993 ======================= Grid point 279 (96/120) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 0.000 6.443 -6.632) 9.246 2.486 ( 0.000 9.252 -7.592) 11.968 2.686 ( 0.000 -13.668 -5.945) 14.905 2.791 ( 0.000 -20.162 -9.903) 22.463 3.189 ( 0.000 13.594 11.339) 17.702 3.398 ( 0.000 -4.230 2.684) 5.010 3.432 ( 0.000 1.592 5.654) 5.874 3.475 ( 0.000 -0.568 2.237) 2.307 3.938 ( 0.000 2.047 -3.217) 3.813 3.962 ( 0.000 -0.323 -2.142) 2.166 4.100 ( 0.000 3.006 -0.800) 3.111 4.226 ( 0.000 -8.699 -6.070) 10.607 7.086 ( 0.000 9.310 1.982) 9.518 7.268 ( 0.000 -9.069 -7.879) 12.013 7.952 ( 0.000 6.187 11.936) 13.444 8.036 ( 0.000 -1.858 7.268) 7.502 8.812 ( 0.000 4.324 21.734) 22.160 8.884 ( 0.000 -3.261 23.974) 24.195 9.222 ( 0.000 5.737 8.245) 10.045 9.342 ( 0.000 -6.822 -0.457) 6.838 9.942 ( 0.000 2.665 -4.810) 5.499 10.034 ( 0.000 -0.760 -7.844) 7.881 10.237 ( 0.000 3.257 5.718) 6.580 10.409 ( 0.000 -9.256 -2.755) 9.657 11.458 ( 0.000 13.825 -1.012) 13.861 11.525 ( 0.000 6.087 -7.052) 9.316 11.683 ( 0.000 5.034 -13.508) 14.415 11.882 ( 0.000 -13.081 -14.968) 19.878 12.154 ( 0.000 -2.698 3.193) 4.180 12.209 ( 0.000 -8.685 -1.709) 8.851 12.840 ( 0.000 -0.668 -2.890) 2.966 12.872 ( 0.000 -4.282 -6.949) 8.162 13.311 ( 0.000 -0.894 -1.091) 1.411 13.363 ( 0.000 -5.879 -4.198) 7.224 13.648 ( 0.000 1.320 0.698) 1.493 13.662 ( 0.000 0.323 1.606) 1.639 13.967 ( 0.000 10.849 8.413) 13.728 14.086 ( 0.000 -0.500 3.799) 3.832 14.603 ( 0.000 3.624 2.552) 4.432 14.667 ( 0.000 -2.879 2.576) 3.863 15.024 ( 0.000 10.716 4.954) 11.806 15.204 ( 0.000 -6.375 -1.642) 6.583 16.100 ( 0.000 10.953 1.122) 11.011 16.213 ( 0.000 2.441 3.683) 4.418 16.327 ( 0.000 8.736 5.443) 10.293 16.432 ( 0.000 0.598 13.581) 13.595 16.887 ( 0.000 19.316 4.175) 19.762 17.149 ( 0.000 8.722 -22.931) 24.534 17.345 ( 0.000 -1.691 -8.864) 9.024 17.440 ( 0.000 -23.365 13.969) 27.222 17.714 ( 0.000 0.163 -16.040) 16.041 17.921 ( 0.000 -18.312 -2.472) 18.478 18.378 ( 0.000 2.705 11.739) 12.046 18.518 ( 0.000 -11.526 6.716) 13.340 19.564 ( 0.000 7.714 11.578) 13.913 19.723 ( 0.000 -7.130 4.673) 8.525 21.021 ( 0.000 6.107 18.706) 19.678 21.132 ( 0.000 -5.126 14.215) 15.111 21.784 ( 0.000 3.319 -2.743) 4.306 21.846 ( 0.000 -3.110 -4.123) 5.165 ======================= Grid point 280 (97/120) ======================= q-point: ( 0.11 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 2.092 5.360 -6.270) 8.510 2.526 ( 3.656 8.791 -7.474) 12.104 2.675 ( -0.854 -11.583 -5.014) 12.650 2.797 ( 0.372 -15.991 -9.845) 18.782 3.152 ( -2.050 7.856 11.164) 13.804 3.305 ( -5.130 -5.492 3.309) 8.212 3.491 ( 4.359 4.360 4.153) 7.434 3.560 ( 3.938 -1.980 3.530) 5.647 3.893 ( -3.869 1.816 -4.944) 6.535 3.913 ( -4.191 -0.355 -3.740) 5.629 4.112 ( 0.960 2.130 -0.280) 2.353 4.216 ( -0.842 -7.598 -4.601) 8.922 7.202 ( 10.756 9.376 2.702) 14.522 7.377 ( 10.042 -8.315 -6.712) 14.664 8.047 ( 7.822 6.762 14.380) 17.711 8.132 ( 8.524 -1.166 9.180) 12.582 8.824 ( -1.104 2.083 19.184) 19.328 8.839 ( 0.314 0.533 18.618) 18.629 9.270 ( 2.499 3.514 2.687) 5.080 9.391 ( 4.818 -8.007 -0.588) 9.363 9.902 ( -3.002 10.019 -0.345) 10.465 10.121 ( 3.308 -11.181 -2.426) 11.910 10.197 ( -1.360 6.525 -1.591) 6.853 10.376 ( -3.222 -9.635 -4.938) 11.296 11.304 ( -12.367 13.809 -1.347) 18.586 11.506 ( -0.601 2.468 2.574) 3.616 11.605 ( -10.740 0.841 -12.169) 16.252 11.786 ( 0.133 -7.053 -6.720) 9.743 12.168 ( -3.195 -1.296 -7.607) 8.352 12.204 ( -1.320 -5.242 -11.759) 12.942 12.848 ( -8.967 2.536 2.971) 9.781 12.951 ( -19.939 -6.003 0.370) 20.826 13.061 ( 12.323 -0.550 -5.060) 13.333 13.158 ( 1.428 -7.983 -6.476) 10.378 13.829 ( 5.732 1.783 3.407) 6.903 13.857 ( 7.943 -0.996 0.949) 8.061 14.057 ( 7.899 11.647 9.334) 16.887 14.190 ( 9.642 -0.612 3.812) 10.386 14.550 ( -3.656 5.107 1.305) 6.415 14.639 ( -1.908 -4.147 0.686) 4.616 15.046 ( 1.661 9.568 0.687) 9.736 15.215 ( 1.208 -6.288 -5.379) 8.362 16.042 ( -3.855 12.080 5.987) 14.023 16.191 ( -2.594 -1.591 5.412) 6.209 16.309 ( -0.925 11.945 5.803) 13.312 16.455 ( 1.105 -3.071 8.724) 9.314 16.906 ( 0.495 20.808 -3.443) 21.097 17.172 ( 3.432 8.465 -13.213) 16.062 17.361 ( 2.343 -7.065 -4.150) 8.522 17.526 ( 7.487 -22.343 13.185) 27.002 17.794 ( 8.287 3.144 -12.153) 15.041 18.029 ( 9.336 -18.634 -6.125) 21.723 18.492 ( 9.649 3.032 11.718) 15.479 18.599 ( 6.472 -8.205 6.793) 12.464 19.506 ( -5.243 8.785 10.810) 14.883 19.711 ( -1.043 -10.284 2.426) 10.618 20.975 ( -4.161 6.614 17.737) 19.382 21.090 ( -3.831 -4.991 13.491) 14.886 21.710 ( -6.883 2.530 -3.653) 8.193 21.751 ( -8.619 -1.740 -4.569) 9.909 ======================= Grid point 281 (98/120) ======================= q-point: ( 0.22 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 2.577 3.042 -4.906) 6.322 2.623 ( 4.882 7.831 -7.167) 11.685 2.662 ( 0.285 -7.933 -2.268) 8.256 2.806 ( 0.754 -7.854 -8.347) 11.486 3.126 ( -0.882 1.496 10.663) 10.804 3.220 ( -3.052 -5.482 4.241) 7.573 3.560 ( 1.031 1.414 2.155) 2.776 3.601 ( 0.140 -2.062 3.030) 3.668 3.805 ( -3.836 1.584 -6.668) 7.855 3.817 ( -3.642 0.225 -8.240) 9.011 4.130 ( 0.556 -0.053 1.339) 1.451 4.200 ( -0.501 -6.571 -1.630) 6.789 7.509 ( 17.782 9.467 4.880) 20.728 7.661 ( 16.448 -6.048 -3.493) 17.869 8.210 ( 7.119 9.524 19.082) 22.484 8.352 ( 11.127 -3.813 14.099) 18.361 8.803 ( 1.942 8.806 13.442) 16.187 8.942 ( 7.256 -3.720 4.781) 9.452 9.296 ( 0.286 7.823 -4.963) 9.269 9.509 ( 4.877 -11.084 -9.180) 15.196 9.770 ( -9.964 11.444 7.852) 17.085 10.026 ( -9.105 -10.766 4.397) 14.770 10.230 ( -2.217 -4.672 -11.062) 12.211 10.262 ( -7.437 -7.003 -9.009) 13.620 11.122 ( -2.503 13.358 8.134) 15.839 11.359 ( -6.351 -8.933 3.105) 11.391 11.544 ( 0.059 11.839 2.281) 12.057 11.774 ( -3.822 -9.649 -2.077) 10.584 12.057 ( -4.729 7.076 -15.038) 17.279 12.129 ( -5.475 0.057 -16.326) 17.220 12.532 ( -14.811 -5.302 -4.840) 16.459 12.543 ( -14.968 -6.815 -4.895) 17.159 13.403 ( 16.236 -1.468 -1.507) 16.372 13.421 ( 16.652 -2.646 -1.761) 16.953 13.853 ( -1.735 4.752 4.379) 6.691 13.935 ( -0.086 -3.748 -0.268) 3.758 14.157 ( -0.129 11.413 14.961) 18.818 14.354 ( 1.524 -6.597 8.422) 10.806 14.535 ( 5.116 10.380 -3.019) 11.960 14.663 ( 5.504 -1.617 -7.170) 9.182 15.092 ( 3.029 8.882 -2.874) 9.814 15.272 ( 4.813 -7.740 -9.440) 13.122 15.985 ( -1.182 12.606 8.174) 15.070 16.114 ( -4.440 -1.676 5.957) 7.616 16.288 ( -1.654 9.062 2.167) 9.463 16.444 ( -2.182 -3.501 0.191) 4.130 16.923 ( 2.018 17.028 -3.149) 17.433 17.241 ( 0.951 -6.716 -12.302) 14.048 17.500 ( 11.910 0.743 10.965) 16.206 17.733 ( 11.822 -19.925 14.986) 27.593 18.049 ( 15.137 5.891 -10.275) 19.220 18.263 ( 11.655 -15.286 -7.945) 20.800 18.714 ( 9.341 -0.591 13.746) 16.630 18.721 ( 4.848 -1.190 9.616) 10.835 19.364 ( -7.745 11.855 7.946) 16.238 19.684 ( -1.789 -17.780 -2.471) 18.040 20.866 ( -5.576 7.696 14.726) 17.526 20.988 ( -5.279 -4.666 11.241) 13.266 21.499 ( -12.802 2.975 -6.104) 14.492 21.534 ( -10.940 -0.415 -6.175) 12.569 ======================= Grid point 282 (99/120) ======================= q-point: ( 0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( 1.981 2.592 -1.448) 3.569 2.671 ( 1.881 -2.515 -0.834) 3.250 2.734 ( 3.389 1.933 -1.948) 4.361 2.832 ( 1.436 -4.135 -5.768) 7.241 3.100 ( -1.132 1.759 7.931) 8.202 3.173 ( -1.085 -3.937 1.757) 4.445 3.487 ( -6.963 1.559 -3.856) 8.110 3.543 ( -6.590 -3.401 -4.956) 8.919 3.799 ( 3.368 2.036 -3.619) 5.347 3.820 ( 4.347 0.224 -3.717) 5.724 4.130 ( -0.627 -3.080 3.216) 4.497 4.190 ( -0.867 -8.220 0.616) 8.288 7.912 ( 19.976 10.268 8.449) 23.997 8.040 ( 19.227 -2.557 0.483) 19.402 8.369 ( 8.995 11.463 16.416) 21.950 8.556 ( 8.368 -8.268 16.886) 20.580 8.905 ( 6.227 13.705 3.804) 15.526 9.058 ( 1.313 -2.216 -1.702) 3.087 9.296 ( -0.291 13.038 -11.719) 17.533 9.410 ( -14.900 9.675 -6.712) 18.991 9.639 ( -4.739 -7.670 -1.182) 9.093 9.793 ( -7.170 -21.096 5.364) 22.918 10.046 ( -13.763 -6.543 -9.182) 17.791 10.094 ( -7.888 -10.446 -8.084) 15.385 11.187 ( 6.615 9.641 15.233) 19.203 11.321 ( 1.409 -2.242 11.290) 11.597 11.521 ( -2.589 7.203 4.019) 8.645 11.637 ( -7.330 -4.473 3.654) 9.332 12.012 ( -3.891 6.698 -14.823) 16.725 12.025 ( 0.400 9.022 -17.684) 19.857 12.289 ( -8.320 -9.983 -10.197) 16.519 12.345 ( -5.468 -12.241 -11.210) 17.476 13.675 ( 8.059 1.572 -1.303) 8.314 13.715 ( 8.902 -0.600 -3.431) 9.559 13.797 ( -2.631 2.984 2.879) 4.911 13.882 ( -4.131 -2.565 -1.920) 5.228 14.133 ( 1.489 11.131 14.161) 18.073 14.356 ( 3.118 -8.965 7.395) 12.032 14.656 ( 1.897 10.524 -1.771) 10.839 14.770 ( 2.054 2.684 -6.424) 7.259 15.211 ( 9.318 9.380 -0.223) 13.223 15.432 ( 10.334 -8.935 -9.001) 16.360 15.963 ( -3.922 1.216 3.071) 5.127 16.041 ( -0.212 5.475 2.184) 5.898 16.236 ( -2.398 10.495 -1.023) 10.814 16.401 ( -0.994 6.106 -5.949) 8.583 16.964 ( 0.741 -0.672 0.349) 1.060 17.196 ( -5.235 -17.331 -8.866) 20.159 17.821 ( 17.600 4.307 15.838) 24.066 18.003 ( 13.593 -14.479 15.663) 25.293 18.374 ( 13.823 5.161 -8.782) 17.171 18.460 ( 6.985 -4.118 -2.475) 8.478 18.724 ( -3.486 4.338 11.726) 12.980 18.921 ( 9.486 -8.249 15.215) 19.736 19.206 ( -7.025 12.432 4.492) 14.969 19.608 ( -6.182 -22.750 -3.428) 23.823 20.780 ( -1.693 8.438 8.617) 12.179 20.902 ( -2.023 -4.013 6.474) 7.881 21.230 ( -12.230 5.882 -8.628) 16.081 21.301 ( -11.037 -1.467 -8.300) 13.888 ======================= Grid point 283 (100/120) ======================= q-point: ( 0.44 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( 3.292 3.711 2.542) 5.573 2.706 ( -0.646 3.423 2.699) 4.406 2.763 ( 1.783 -5.151 3.076) 6.259 2.828 ( -2.573 -6.121 1.212) 6.750 3.133 ( 4.829 5.046 -2.747) 7.505 3.196 ( 2.411 0.975 -4.348) 5.066 3.327 ( -6.353 -1.085 -7.675) 10.023 3.378 ( -7.834 -4.253 -7.663) 11.755 3.896 ( 4.667 5.391 0.617) 7.157 3.925 ( 3.158 4.933 -0.242) 5.862 4.112 ( -0.179 -10.416 3.273) 10.920 4.151 ( -2.759 -11.689 1.750) 12.137 8.308 ( 16.536 13.710 10.907) 24.091 8.410 ( 12.150 6.875 5.523) 15.013 8.587 ( 10.350 6.828 9.819) 15.816 8.672 ( 0.910 -6.891 15.147) 16.666 8.968 ( -2.214 11.584 -0.353) 11.799 9.006 ( -3.378 3.325 -6.037) 7.675 9.100 ( -9.447 4.362 -2.272) 10.651 9.185 ( -10.213 5.876 -10.400) 15.716 9.551 ( 2.964 -1.653 -1.556) 3.733 9.709 ( -10.303 -2.523 -8.926) 13.863 9.853 ( 2.042 -23.014 -1.321) 23.142 9.949 ( -5.964 -19.603 -5.255) 21.154 11.335 ( 6.903 4.853 13.147) 15.622 11.377 ( 3.672 1.646 11.463) 12.149 11.447 ( -4.021 5.952 4.097) 8.269 11.491 ( -6.805 0.750 8.880) 11.212 11.987 ( 1.127 8.286 -13.204) 15.629 12.025 ( -1.516 9.865 -14.992) 18.010 12.204 ( 0.363 -12.955 -12.588) 18.067 12.256 ( -3.583 -12.726 -12.777) 18.386 13.732 ( -0.345 4.271 -0.556) 4.321 13.759 ( -2.741 0.675 -1.306) 3.111 13.768 ( 1.727 -0.637 -0.383) 1.881 13.815 ( -2.538 -3.699 -2.246) 5.017 14.298 ( 12.100 13.418 7.411) 19.529 14.492 ( 2.895 1.457 -0.056) 3.242 14.585 ( -2.233 2.906 5.221) 6.379 14.724 ( -6.307 -2.546 -1.006) 6.876 15.451 ( 11.899 12.211 0.729) 17.065 15.609 ( 1.117 7.456 -4.193) 8.627 15.878 ( 0.792 -16.242 -1.825) 16.363 15.998 ( -6.065 -14.226 -5.073) 16.276 16.279 ( 6.550 31.180 -2.597) 31.966 16.388 ( -2.021 26.633 -7.683) 27.793 16.957 ( 0.443 -24.123 -0.267) 24.128 17.048 ( -7.478 -26.580 -4.367) 27.955 18.196 ( 17.221 3.141 14.988) 23.045 18.274 ( 11.441 -6.102 13.683) 18.851 18.448 ( -3.956 -0.178 5.645) 6.896 18.513 ( -10.256 -4.128 8.726) 14.085 18.750 ( 11.755 18.940 2.548) 22.437 18.981 ( -8.124 18.060 0.094) 19.803 19.192 ( 9.436 -21.700 10.595) 25.926 19.422 ( -10.966 -23.077 2.160) 25.641 20.822 ( 5.648 8.272 -0.808) 10.049 20.929 ( 4.148 -2.056 -1.875) 4.995 20.998 ( -9.435 6.195 -7.139) 13.356 21.086 ( -9.233 -2.207 -7.161) 11.891 ======================= Grid point 315 (101/120) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.868 ( 0.000 0.000 -17.174) 17.174 2.868 ( 0.000 0.000 17.174) 17.174 2.922 ( 0.000 0.000 -13.784) 13.784 2.922 ( 0.000 0.000 13.784) 13.784 3.009 ( 0.000 0.000 -18.730) 18.730 3.009 ( 0.000 0.000 18.730) 18.730 3.555 ( 0.000 0.000 -0.977) 0.977 3.555 ( 0.000 0.000 0.977) 0.977 3.859 ( 0.000 0.000 -2.745) 2.745 3.859 ( 0.000 0.000 2.745) 2.745 4.497 ( 0.000 0.000 -8.019) 8.019 4.497 ( 0.000 0.000 8.019) 8.019 7.045 ( 0.000 0.000 -24.279) 24.279 7.045 ( 0.000 0.000 24.279) 24.279 7.866 ( 0.000 0.000 -2.062) 2.062 7.866 ( 0.000 0.000 2.062) 2.062 9.306 ( 0.000 0.000 -30.211) 30.211 9.306 ( 0.000 0.000 30.211) 30.211 9.334 ( 0.000 0.000 -16.742) 16.742 9.334 ( 0.000 0.000 16.742) 16.742 9.929 ( 0.000 0.000 -30.302) 30.302 9.929 ( 0.000 0.000 30.302) 30.302 10.381 ( 0.000 0.000 -1.322) 1.322 10.381 ( 0.000 0.000 1.322) 1.322 10.684 ( 0.000 0.000 -5.950) 5.950 10.684 ( 0.000 0.000 5.950) 5.950 11.882 ( 0.000 0.000 -21.228) 21.228 11.882 ( 0.000 0.000 21.228) 21.228 12.547 ( 0.000 0.000 -3.427) 3.427 12.547 ( 0.000 0.000 3.427) 3.427 13.236 ( 0.000 0.000 -4.084) 4.084 13.236 ( 0.000 0.000 4.084) 4.084 13.297 ( 0.000 0.000 -10.133) 10.133 13.297 ( 0.000 0.000 10.133) 10.133 13.562 ( 0.000 0.000 -0.974) 0.974 13.562 ( 0.000 0.000 0.974) 0.974 14.068 ( 0.000 0.000 -4.411) 4.411 14.068 ( 0.000 0.000 4.411) 4.411 14.716 ( 0.000 0.000 -10.904) 10.904 14.716 ( 0.000 0.000 10.904) 10.904 14.734 ( 0.000 0.000 -21.440) 21.440 14.734 ( 0.000 0.000 21.440) 21.440 15.545 ( 0.000 0.000 -10.018) 10.018 15.545 ( 0.000 0.000 10.018) 10.018 15.823 ( 0.000 0.000 -24.365) 24.365 15.823 ( 0.000 0.000 24.365) 24.365 16.706 ( 0.000 0.000 -27.207) 27.207 16.706 ( 0.000 0.000 27.207) 27.207 17.419 ( 0.000 0.000 -27.403) 27.403 17.419 ( 0.000 0.000 27.403) 27.403 18.902 ( 0.000 0.000 -14.991) 14.991 18.902 ( 0.000 0.000 14.991) 14.991 19.173 ( 0.000 0.000 -4.814) 4.814 19.173 ( 0.000 0.000 4.814) 4.814 19.226 ( 0.000 0.000 -9.124) 9.124 19.226 ( 0.000 0.000 9.124) 9.124 21.539 ( 0.000 0.000 -7.384) 7.384 21.539 ( 0.000 0.000 7.384) 7.384 21.545 ( 0.000 0.000 -33.946) 33.946 21.545 ( 0.000 0.000 33.946) 33.946 ======================= Grid point 317 (102/120) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( -8.233 0.000 -9.213) 12.356 2.707 ( -8.233 0.000 9.213) 12.356 2.964 ( 3.823 0.000 -13.140) 13.685 2.964 ( 3.823 0.000 13.140) 13.685 3.221 ( 11.385 0.000 -8.670) 14.310 3.221 ( 11.385 0.000 8.670) 14.310 3.503 ( -4.701 0.000 -0.714) 4.755 3.503 ( -4.701 0.000 0.714) 4.755 3.808 ( -3.767 0.000 -1.766) 4.160 3.808 ( -3.767 0.000 1.766) 4.160 4.532 ( 3.539 0.000 -5.861) 6.846 4.532 ( 3.539 0.000 5.861) 6.846 7.097 ( 4.723 0.000 -23.540) 24.009 7.097 ( 4.723 0.000 23.540) 24.009 7.959 ( 8.085 0.000 -0.806) 8.125 7.959 ( 8.085 0.000 0.806) 8.125 9.203 ( -8.857 0.000 -26.309) 27.760 9.203 ( -8.857 0.000 26.309) 27.760 9.349 ( 1.087 0.000 -17.714) 17.747 9.349 ( 1.087 0.000 17.714) 17.747 9.987 ( 5.598 0.000 -27.214) 27.784 9.987 ( 5.598 0.000 27.214) 27.784 10.404 ( 1.916 0.000 -7.459) 7.701 10.404 ( 1.916 0.000 7.459) 7.701 10.756 ( 6.231 0.000 -13.895) 15.228 10.756 ( 6.231 0.000 13.895) 15.228 11.670 ( -18.204 0.000 -18.147) 25.704 11.670 ( -18.204 0.000 18.147) 25.704 12.481 ( -6.188 0.000 -5.152) 8.052 12.481 ( -6.188 0.000 5.152) 8.052 13.222 ( -5.810 0.000 -8.228) 10.072 13.222 ( -5.810 0.000 8.228) 10.072 13.309 ( 6.307 0.000 -7.485) 9.788 13.309 ( 6.307 0.000 7.485) 9.788 13.539 ( -2.149 0.000 -3.515) 4.120 13.539 ( -2.149 0.000 3.515) 4.120 14.064 ( -0.770 0.000 -2.286) 2.412 14.064 ( -0.770 0.000 2.286) 2.412 14.709 ( -1.172 0.000 -10.291) 10.357 14.709 ( -1.172 0.000 10.291) 10.357 14.837 ( 7.766 0.000 -18.987) 20.513 14.837 ( 7.766 0.000 18.987) 20.513 15.641 ( 9.158 0.000 -10.371) 13.836 15.641 ( 9.158 0.000 10.371) 13.836 15.738 ( -5.730 0.000 -21.810) 22.550 15.738 ( -5.730 0.000 21.810) 22.550 16.862 ( 13.149 0.000 -27.124) 30.143 16.862 ( 13.149 0.000 27.124) 30.143 17.465 ( 4.267 0.000 -27.802) 28.128 17.465 ( 4.267 0.000 27.802) 28.128 18.828 ( -5.061 0.000 -13.212) 14.148 18.828 ( -5.061 0.000 13.212) 14.148 19.195 ( 2.061 0.000 -4.720) 5.150 19.195 ( 2.061 0.000 4.720) 5.150 19.392 ( 13.354 0.000 -11.443) 17.586 19.392 ( 13.354 0.000 11.443) 17.586 21.401 ( -13.420 0.000 -32.211) 34.895 21.401 ( -13.420 0.000 32.211) 34.895 21.477 ( -5.784 0.000 -7.520) 9.487 21.477 ( -5.784 0.000 7.520) 9.487 ======================= Grid point 319 (103/120) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( -4.796 0.000 -8.357) 9.636 2.569 ( -4.796 0.000 8.357) 9.636 3.062 ( 4.668 0.000 -12.128) 12.995 3.062 ( 4.668 0.000 12.128) 12.995 3.335 ( -1.557 0.000 -8.646) 8.785 3.335 ( -1.557 0.000 8.646) 8.785 3.377 ( -6.456 0.000 -1.362) 6.598 3.377 ( -6.456 0.000 1.362) 6.598 3.769 ( 0.505 0.000 -2.278) 2.333 3.769 ( 0.505 0.000 2.278) 2.333 4.660 ( 8.931 0.000 -3.384) 9.551 4.660 ( 8.931 0.000 3.384) 9.551 7.221 ( 6.557 0.000 -20.761) 21.772 7.221 ( 6.557 0.000 20.761) 21.772 8.156 ( 9.583 0.000 -7.005) 11.870 8.156 ( 9.583 0.000 7.005) 11.870 8.990 ( -10.267 0.000 -16.431) 19.375 8.990 ( -10.267 0.000 16.431) 19.375 9.370 ( 1.091 0.000 -18.629) 18.661 9.370 ( 1.091 0.000 18.629) 18.661 10.146 ( 8.334 0.000 -20.704) 22.319 10.146 ( 8.334 0.000 20.704) 22.319 10.457 ( 3.104 0.000 -14.978) 15.296 10.457 ( 3.104 0.000 14.978) 15.296 10.902 ( 6.758 0.000 -18.882) 20.055 10.902 ( 6.758 0.000 18.882) 20.055 11.227 ( -21.663 0.000 -11.043) 24.315 11.227 ( -21.663 0.000 11.043) 24.315 12.314 ( -8.834 0.000 -6.493) 10.964 12.314 ( -8.834 0.000 6.493) 10.964 13.098 ( -5.833 0.000 -6.011) 8.376 13.098 ( -5.833 0.000 6.011) 8.376 13.461 ( 2.398 0.000 -12.287) 12.519 13.461 ( 2.398 0.000 12.287) 12.519 13.493 ( 3.698 0.000 -8.269) 9.058 13.493 ( 3.698 0.000 8.269) 9.058 14.035 ( -1.569 0.000 -3.766) 4.079 14.035 ( -1.569 0.000 3.766) 4.079 14.654 ( -4.038 0.000 -8.289) 9.220 14.654 ( -4.038 0.000 8.289) 9.220 14.919 ( -2.730 0.000 -16.277) 16.505 14.919 ( -2.730 0.000 16.277) 16.505 15.709 ( 4.878 0.000 -15.253) 16.014 15.709 ( 4.878 0.000 15.253) 16.014 15.911 ( 15.974 0.000 -12.963) 20.572 15.911 ( 15.974 0.000 12.963) 20.572 17.185 ( 16.532 0.000 -24.544) 29.592 17.185 ( 16.532 0.000 24.544) 29.592 17.578 ( 5.804 0.000 -28.508) 29.093 17.578 ( 5.804 0.000 28.508) 29.093 18.735 ( -3.289 0.000 -11.337) 11.805 18.735 ( -3.289 0.000 11.337) 11.805 19.257 ( 3.765 0.000 -4.445) 5.826 19.257 ( 3.765 0.000 4.445) 5.826 19.712 ( 16.026 0.000 -17.142) 23.467 19.712 ( 16.026 0.000 17.142) 23.467 21.017 ( -22.148 0.000 -26.952) 34.885 21.017 ( -22.148 0.000 26.952) 34.885 21.307 ( -10.066 0.000 -7.635) 12.634 21.307 ( -10.066 0.000 7.635) 12.634 ======================= Grid point 321 (104/120) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( -1.283 0.000 -6.911) 7.029 2.507 ( -1.283 0.000 6.911) 7.029 3.090 ( -3.176 0.000 -9.248) 9.778 3.090 ( -3.176 0.000 9.248) 9.778 3.232 ( -6.079 0.000 -7.698) 9.809 3.232 ( -6.079 0.000 7.698) 9.809 3.307 ( 1.121 0.000 -3.482) 3.658 3.307 ( 1.121 0.000 3.482) 3.658 3.774 ( -0.798 0.000 -1.997) 2.151 3.774 ( -0.798 0.000 1.997) 2.151 4.874 ( 10.120 0.000 -2.259) 10.369 4.874 ( 10.120 0.000 2.259) 10.369 7.350 ( 5.336 0.000 -14.875) 15.804 7.350 ( 5.336 0.000 14.875) 15.804 8.314 ( 4.542 0.000 -18.801) 19.342 8.314 ( 4.542 0.000 18.801) 19.342 8.823 ( -4.560 0.000 -13.239) 14.002 8.823 ( -4.560 0.000 13.239) 14.002 9.410 ( 3.118 0.000 -15.957) 16.259 9.410 ( 3.118 0.000 15.957) 16.259 10.231 ( -3.217 0.000 -14.149) 14.510 10.231 ( -3.217 0.000 14.149) 14.510 10.521 ( 2.492 0.000 -17.216) 17.395 10.521 ( 2.492 0.000 17.216) 17.395 10.883 ( -8.213 0.000 -5.120) 9.678 10.883 ( -8.213 0.000 5.120) 9.678 11.022 ( 4.849 0.000 -16.608) 17.302 11.022 ( 4.849 0.000 16.608) 17.301 12.143 ( -7.234 0.000 -5.819) 9.284 12.143 ( -7.234 0.000 5.819) 9.284 12.982 ( -4.901 0.000 -4.168) 6.434 12.982 ( -4.901 0.000 4.168) 6.434 13.402 ( -3.181 0.000 -4.084) 5.177 13.402 ( -3.181 0.000 4.084) 5.177 13.709 ( 12.128 0.000 -10.788) 16.232 13.709 ( 12.128 0.000 10.788) 16.232 14.014 ( -0.301 0.000 -7.166) 7.172 14.014 ( -0.301 0.000 7.166) 7.172 14.551 ( -5.433 0.000 -4.301) 6.929 14.551 ( -5.433 0.000 4.301) 6.929 14.739 ( -12.425 0.000 -17.112) 21.147 14.739 ( -12.425 0.000 17.112) 21.147 15.889 ( 9.648 0.000 -10.655) 14.375 15.889 ( 9.648 0.000 10.655) 14.375 16.272 ( 17.419 0.000 -12.300) 21.324 16.272 ( 17.419 0.000 12.300) 21.324 17.511 ( 13.679 0.000 -17.758) 22.415 17.511 ( 13.679 0.000 17.758) 22.415 17.664 ( 1.326 0.000 -25.991) 26.024 17.664 ( 1.326 0.000 25.991) 26.024 18.720 ( 2.431 0.000 -8.987) 9.310 18.720 ( 2.431 0.000 8.987) 9.310 19.346 ( 4.455 0.000 -3.764) 5.833 19.346 ( 4.455 0.000 3.764) 5.833 20.009 ( 10.867 0.000 -18.438) 21.402 20.009 ( 10.866 0.000 18.438) 21.402 20.539 ( -21.375 0.000 -17.155) 27.408 20.539 ( -21.375 0.000 17.155) 27.408 21.081 ( -10.738 0.000 -6.701) 12.657 21.081 ( -10.738 0.000 6.701) 12.657 ======================= Grid point 323 (105/120) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 0.186 0.000 -3.180) 3.186 2.501 ( 0.186 0.000 3.180) 3.186 3.009 ( -2.693 0.000 -2.600) 3.743 3.009 ( -2.693 0.000 2.600) 3.743 3.134 ( -2.639 0.000 -3.442) 4.337 3.134 ( -2.639 0.000 3.442) 4.337 3.355 ( 1.744 0.000 -1.080) 2.051 3.355 ( 1.744 0.000 1.080) 2.051 3.749 ( -0.978 0.000 -0.816) 1.274 3.749 ( -0.978 0.000 0.816) 1.274 5.031 ( 4.101 0.000 -0.841) 4.187 5.031 ( 4.101 0.000 0.841) 4.187 7.430 ( 2.039 0.000 -5.516) 5.881 7.430 ( 2.039 0.000 5.516) 5.881 8.345 ( -0.302 0.000 -11.290) 11.294 8.345 ( -0.302 0.000 11.290) 11.294 8.799 ( 0.705 0.000 -8.691) 8.719 8.799 ( 0.705 0.000 8.691) 8.719 9.496 ( 3.990 0.000 -7.681) 8.656 9.496 ( 3.990 0.000 7.681) 8.656 10.058 ( -8.237 0.000 -4.839) 9.553 10.058 ( -8.237 0.000 4.839) 9.553 10.551 ( 0.546 0.000 -7.648) 7.668 10.551 ( 0.546 0.000 7.648) 7.668 10.852 ( 1.308 0.000 -2.190) 2.551 10.852 ( 1.308 0.000 2.190) 2.551 11.104 ( 2.485 0.000 -6.577) 7.031 11.104 ( 2.485 0.000 6.577) 7.031 12.022 ( -3.610 0.000 -2.235) 4.246 12.022 ( -3.610 0.000 2.235) 4.246 12.911 ( -1.641 0.000 -1.407) 2.162 12.911 ( -1.641 0.000 1.407) 2.162 13.352 ( -1.308 0.000 -1.560) 2.035 13.352 ( -1.308 0.000 1.560) 2.035 13.961 ( 10.054 0.000 -9.190) 13.621 13.961 ( 10.054 0.000 9.190) 13.621 14.019 ( 0.454 0.000 -3.845) 3.872 14.019 ( 0.454 0.000 3.845) 3.872 14.453 ( -3.027 0.000 -1.022) 3.195 14.453 ( -3.027 0.000 1.022) 3.195 14.475 ( -10.528 0.000 -11.475) 15.573 14.475 ( -10.528 0.000 11.475) 15.573 16.040 ( 3.998 0.000 -3.884) 5.574 16.040 ( 3.998 0.000 3.884) 5.574 16.572 ( 9.053 0.000 -6.237) 10.993 16.572 ( 9.053 0.000 6.237) 10.993 17.636 ( -2.384 0.000 -12.021) 12.255 17.636 ( -2.384 0.000 12.021) 12.255 17.719 ( 5.416 0.000 -6.590) 8.530 17.719 ( 5.416 0.000 6.590) 8.530 18.813 ( 4.383 0.000 -4.732) 6.450 18.813 ( 4.383 0.000 4.732) 6.450 19.424 ( 2.354 0.000 -1.710) 2.910 19.424 ( 2.354 0.000 1.710) 2.910 20.047 ( -6.556 0.000 -11.493) 13.232 20.047 ( -6.556 0.000 11.493) 13.232 20.299 ( -0.231 0.000 -3.575) 3.583 20.299 ( -0.231 0.000 3.575) 3.583 20.903 ( -5.064 0.000 -2.974) 5.872 20.903 ( -5.064 0.000 2.974) 5.872 ======================= Grid point 333 (106/120) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( 0.000 -13.989 -2.503) 14.211 2.629 ( 0.000 -13.989 2.503) 14.211 3.043 ( 0.000 4.132 -6.853) 8.003 3.043 ( 0.000 4.132 6.853) 8.003 3.077 ( 0.000 5.444 -12.371) 13.516 3.077 ( 0.000 5.444 12.371) 13.516 3.550 ( 0.000 -2.962 -1.331) 3.247 3.550 ( 0.000 -2.962 1.331) 3.247 3.837 ( 0.000 0.016 -0.875) 0.875 3.837 ( 0.000 0.016 0.875) 0.875 4.420 ( 0.000 -6.959 -8.299) 10.830 4.420 ( 0.000 -6.959 8.299) 10.830 7.084 ( 0.000 3.127 -21.110) 21.341 7.084 ( 0.000 3.127 21.110) 21.341 7.904 ( 0.000 3.837 -3.078) 4.920 7.904 ( 0.000 3.837 3.078) 4.920 9.229 ( 0.000 -4.204 -24.830) 25.183 9.229 ( 0.000 -4.204 24.830) 25.183 9.389 ( 0.000 1.659 -17.027) 17.107 9.389 ( 0.000 1.659 17.027) 17.107 9.817 ( 0.000 -6.858 -23.058) 24.056 9.817 ( 0.000 -6.858 23.058) 24.056 10.429 ( 0.000 1.960 -3.713) 4.199 10.429 ( 0.000 1.960 3.713) 4.199 10.830 ( 0.000 13.561 -6.492) 15.035 10.830 ( 0.000 13.561 6.492) 15.035 11.850 ( 0.000 -3.210 -20.143) 20.398 11.850 ( 0.000 -3.210 20.143) 20.398 12.484 ( 0.000 -6.041 -3.432) 6.948 12.484 ( 0.000 -6.041 3.432) 6.948 13.197 ( 0.000 -8.437 -7.897) 11.556 13.197 ( 0.000 -8.437 7.897) 11.556 13.337 ( 0.000 8.664 -2.878) 9.129 13.337 ( 0.000 8.664 2.878) 9.129 13.652 ( 0.000 6.699 -2.371) 7.106 13.652 ( 0.000 6.699 2.371) 7.106 13.837 ( 0.000 -15.958 -3.316) 16.299 13.837 ( 0.000 -15.958 3.316) 16.299 14.708 ( 0.000 -0.346 -9.616) 9.623 14.708 ( 0.000 -0.346 9.616) 9.623 14.874 ( 0.000 8.782 -17.496) 19.576 14.874 ( 0.000 8.782 17.496) 19.576 15.650 ( 0.000 10.506 -9.906) 14.440 15.650 ( 0.000 10.506 9.906) 14.440 15.990 ( 0.000 15.759 -23.240) 28.079 15.990 ( 0.000 15.759 23.240) 28.079 16.725 ( 0.000 1.379 -23.956) 23.995 16.725 ( 0.000 1.379 23.956) 23.995 17.393 ( 0.000 -2.202 -25.283) 25.379 17.393 ( 0.000 -2.202 25.283) 25.379 18.699 ( 0.000 -23.736 -1.189) 23.766 18.699 ( 0.000 -23.736 1.189) 23.766 18.867 ( 0.000 -8.391 -11.080) 13.899 18.867 ( 0.000 -8.391 11.080) 13.899 19.543 ( 0.000 13.106 -7.054) 14.884 19.543 ( 0.000 13.106 7.054) 14.884 21.425 ( 0.000 -5.836 -12.608) 13.894 21.425 ( 0.000 -5.836 12.608) 13.894 21.639 ( 0.000 4.118 -10.924) 11.675 21.639 ( 0.000 4.118 10.924) 11.675 ======================= Grid point 335 (107/120) ======================= q-point: ( 0.11 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( -2.638 -9.406 -5.794) 11.358 2.603 ( -2.638 -9.406 5.794) 11.358 2.935 ( -1.568 -0.725 -10.285) 10.429 2.935 ( -1.568 -0.725 10.285) 10.429 3.298 ( 10.322 5.416 -7.492) 13.856 3.298 ( 10.322 5.416 7.492) 13.856 3.519 ( -2.069 -1.613 -1.600) 3.073 3.519 ( -2.069 -1.613 1.600) 3.073 3.774 ( -5.225 -0.868 -1.700) 5.562 3.774 ( -5.225 -0.868 1.700) 5.562 4.445 ( 2.554 -7.847 -6.276) 10.368 4.445 ( 2.554 -7.847 6.276) 10.368 7.156 ( 6.489 4.821 -20.605) 22.135 7.156 ( 6.489 4.821 20.605) 22.135 7.995 ( 7.898 3.798 -1.449) 8.882 7.995 ( 7.898 3.798 1.449) 8.882 9.155 ( -7.030 -3.368 -22.811) 24.107 9.155 ( -7.030 -3.368 22.811) 24.107 9.354 ( -1.783 -0.454 -18.824) 18.913 9.354 ( -1.783 -0.454 18.824) 18.913 9.930 ( 9.177 -3.875 -22.210) 24.342 9.930 ( 9.177 -3.875 22.210) 24.342 10.424 ( -0.147 0.484 -6.183) 6.204 10.424 ( -0.147 0.484 6.183) 6.204 10.864 ( 2.551 10.312 -12.445) 16.362 10.864 ( 2.551 10.312 12.445) 16.362 11.686 ( -13.842 1.234 -16.771) 21.780 11.686 ( -13.842 1.234 16.771) 21.780 12.406 ( -7.012 -7.153 -5.350) 11.356 12.406 ( -7.012 -7.153 5.350) 11.356 13.092 ( -7.477 -7.994 -6.098) 12.529 13.092 ( -7.477 -7.994 6.098) 12.529 13.436 ( 6.805 3.761 -11.286) 13.705 13.436 ( 6.805 3.761 11.286) 13.705 13.612 ( -1.580 8.527 -4.718) 9.872 13.612 ( -1.580 8.527 4.718) 9.872 13.909 ( 3.882 -9.559 -3.825) 11.004 13.909 ( 3.882 -9.559 3.825) 11.004 14.677 ( -2.499 -1.966 -11.880) 12.298 14.677 ( -2.499 -1.966 11.880) 12.298 14.937 ( 5.548 5.801 -14.666) 16.719 14.937 ( 5.548 5.801 14.666) 16.719 15.716 ( 2.163 9.367 -12.045) 15.412 15.716 ( 2.163 9.367 12.045) 15.412 15.924 ( -0.794 15.865 -19.172) 24.898 15.924 ( -0.794 15.865 19.172) 24.898 16.873 ( 12.142 0.450 -23.617) 26.559 16.873 ( 12.142 0.450 23.617) 26.559 17.446 ( 4.930 -1.507 -24.683) 25.216 17.446 ( 4.930 -1.507 24.683) 25.216 18.706 ( 0.174 -15.331 -3.991) 15.843 18.706 ( 0.174 -15.331 3.991) 15.843 18.908 ( 3.747 -13.780 -6.449) 15.669 18.908 ( 3.747 -13.780 6.449) 15.669 19.609 ( 6.290 10.062 -10.087) 15.574 19.609 ( 6.290 10.062 10.087) 15.574 21.324 ( -9.955 -4.724 -18.218) 21.291 21.324 ( -9.955 -4.724 18.218) 21.291 21.544 ( -8.251 4.036 -4.263) 10.126 21.544 ( -8.251 4.036 4.263) 10.126 ======================= Grid point 337 (108/120) ======================= q-point: ( 0.22 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( -2.624 -2.848 -6.624) 7.673 2.539 ( -2.624 -2.848 6.624) 7.673 2.959 ( 2.345 -6.968 -8.198) 11.012 2.959 ( 2.345 -6.968 8.198) 11.012 3.357 ( -2.961 1.396 -2.284) 3.992 3.357 ( -2.961 1.396 2.284) 3.992 3.490 ( -4.635 7.920 -4.237) 10.107 3.490 ( -4.635 7.920 4.237) 10.107 3.711 ( 1.666 -5.034 -3.951) 6.613 3.711 ( 1.666 -5.034 3.951) 6.613 4.542 ( 7.030 -10.633 -3.648) 13.259 4.542 ( 7.030 -10.633 3.648) 13.259 7.329 ( 9.330 9.403 -18.520) 22.769 7.329 ( 9.330 9.403 18.520) 22.769 8.188 ( 9.464 3.576 -5.402) 11.469 8.188 ( 9.464 3.576 5.402) 11.469 8.973 ( -9.196 -0.852 -13.877) 16.669 8.973 ( -9.196 -0.852 13.877) 16.669 9.333 ( -0.298 -3.382 -19.486) 19.779 9.333 ( -0.298 -3.382 19.486) 19.779 10.130 ( 7.970 -2.965 -17.654) 19.595 10.130 ( 7.970 -2.965 17.654) 19.595 10.437 ( 1.427 -2.361 -11.053) 11.392 10.437 ( 1.427 -2.361 11.053) 11.392 10.900 ( 0.545 3.308 -12.162) 12.616 10.900 ( 0.545 3.308 12.162) 12.616 11.376 ( -13.246 11.747 -6.545) 18.876 11.376 ( -13.246 11.747 6.545) 18.876 12.222 ( -9.459 -8.491 -6.024) 14.066 12.222 ( -9.459 -8.491 6.024) 14.066 12.941 ( -6.577 -12.540 -3.903) 14.687 12.941 ( -6.577 -12.540 3.903) 14.687 13.539 ( 0.736 2.449 -6.995) 7.447 13.539 ( 0.736 2.449 6.995) 7.447 13.639 ( 6.024 14.219 -10.179) 18.496 13.639 ( 6.024 14.219 10.179) 18.496 13.955 ( 0.774 -3.485 -1.050) 3.721 13.955 ( 0.774 -3.485 1.050) 3.721 14.601 ( -4.764 -3.929 -10.130) 11.864 14.601 ( -4.764 -3.929 10.130) 11.864 15.069 ( 4.618 8.780 -10.316) 14.312 15.069 ( 4.618 8.780 10.316) 14.312 15.649 ( -2.501 2.177 -14.767) 15.135 15.649 ( -2.501 2.177 14.767) 15.135 16.095 ( 12.551 12.125 -11.796) 21.064 16.095 ( 12.551 12.125 11.796) 21.064 17.159 ( 14.025 -3.108 -19.507) 24.226 17.159 ( 14.025 -3.108 19.507) 24.226 17.593 ( 8.914 2.027 -21.868) 23.702 17.593 ( 8.914 2.027 21.868) 23.702 18.696 ( -0.891 -4.689 -7.005) 8.476 18.696 ( -0.891 -4.689 7.005) 8.476 19.005 ( 4.946 -18.663 -1.596) 19.373 19.005 ( 4.946 -18.663 1.596) 19.373 19.796 ( 10.866 2.839 -16.719) 20.141 19.796 ( 10.866 2.839 16.719) 20.141 21.012 ( -18.896 0.273 -22.000) 29.003 21.012 ( -18.896 0.273 22.000) 29.003 21.336 ( -11.020 2.470 -6.480) 13.021 21.336 ( -11.020 2.470 6.480) 13.021 ======================= Grid point 339 (109/120) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( 0.205 0.761 -5.343) 5.400 2.513 ( 0.205 0.761 5.343) 5.400 2.980 ( -0.918 -7.353 -6.140) 9.623 2.980 ( -0.918 -7.353 6.140) 9.623 3.289 ( -4.140 1.195 -3.646) 5.644 3.289 ( -4.140 1.195 3.646) 5.644 3.352 ( -4.840 4.653 -7.138) 9.799 3.352 ( -4.840 4.653 7.138) 9.799 3.755 ( 1.179 -1.320 -1.992) 2.664 3.755 ( 1.179 -1.320 1.992) 2.664 4.717 ( 8.499 -14.307 -2.241) 16.791 4.717 ( 8.499 -14.307 2.241) 16.791 7.514 ( 7.705 15.000 -13.684) 21.716 7.514 ( 7.705 15.000 13.684) 21.716 8.353 ( 5.605 4.090 -17.235) 18.579 8.353 ( 5.605 4.090 17.235) 18.579 8.815 ( -5.000 0.147 -10.541) 11.668 8.815 ( -5.000 0.147 10.541) 11.668 9.344 ( 1.464 -6.105 -16.018) 17.205 9.344 ( 1.464 -6.105 16.018) 17.205 10.163 ( -5.855 -8.285 -13.056) 16.534 10.163 ( -5.855 -8.285 13.056) 16.534 10.480 ( 2.728 -3.678 -11.550) 12.425 10.480 ( 2.728 -3.678 11.550) 12.425 10.922 ( 2.263 7.111 -1.329) 7.580 10.922 ( 2.263 7.111 1.329) 7.580 11.198 ( -3.393 13.459 -10.478) 17.391 11.198 ( -3.393 13.459 10.478) 17.391 12.047 ( -7.083 -8.574 -5.410) 12.368 12.047 ( -7.083 -8.574 5.410) 12.368 12.817 ( -5.276 -14.095 -2.702) 15.290 12.817 ( -5.276 -14.095 2.702) 15.290 13.515 ( -1.692 8.737 -0.866) 8.942 13.515 ( -1.692 8.737 0.866) 8.942 13.813 ( 9.387 6.015 -9.141) 14.418 13.813 ( 9.387 6.015 9.141) 14.418 13.961 ( 0.399 1.378 -2.704) 3.061 13.961 ( 0.399 1.378 2.704) 3.061 14.478 ( -7.137 -3.173 -5.357) 9.471 14.478 ( -7.137 -3.173 5.357) 9.471 15.044 ( -5.710 22.957 -9.464) 25.480 15.044 ( -5.710 22.957 9.464) 25.480 15.738 ( 9.130 -10.805 -10.604) 17.679 15.738 ( 9.130 -10.805 10.604) 17.679 16.346 ( 10.489 3.187 -6.751) 12.874 16.346 ( 10.489 3.187 6.751) 12.874 17.418 ( 9.937 -6.376 -11.811) 16.700 17.418 ( 9.937 -6.376 11.811) 16.700 17.792 ( 9.037 9.815 -15.348) 20.337 17.792 ( 9.037 9.815 15.348) 20.337 18.694 ( 1.531 -2.475 -7.211) 7.776 18.694 ( 1.531 -2.475 7.211) 7.776 19.092 ( 2.788 -20.349 -2.422) 20.681 19.092 ( 2.788 -20.349 2.422) 20.681 20.017 ( 9.194 -4.468 -18.036) 20.731 20.017 ( 9.194 -4.468 18.036) 20.732 20.602 ( -18.416 7.555 -14.595) 24.683 20.602 ( -18.416 7.555 14.595) 24.683 21.105 ( -10.409 2.026 -7.066) 12.742 21.105 ( -10.409 2.026 7.066) 12.742 ======================= Grid point 341 (110/120) ======================= q-point: ( 0.44 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 1.053 3.228 -2.480) 4.205 2.533 ( 1.053 3.228 2.480) 4.205 2.940 ( -1.783 -4.776 -3.223) 6.032 2.940 ( -1.783 -4.776 3.223) 6.032 3.193 ( -2.875 3.626 -2.014) 5.047 3.193 ( -2.875 3.626 2.014) 5.047 3.320 ( -0.222 -3.294 -2.228) 3.983 3.320 ( -0.222 -3.294 2.228) 3.983 3.766 ( 0.175 1.817 -0.708) 1.958 3.766 ( 0.175 1.817 0.708) 1.958 4.850 ( 3.535 -16.531 -0.737) 16.921 4.850 ( 3.535 -16.531 0.737) 16.921 7.629 ( 2.927 18.761 -5.225) 19.694 7.629 ( 2.927 18.761 5.225) 19.694 8.409 ( 0.461 6.362 -11.880) 13.484 8.409 ( 0.461 6.362 11.881) 13.484 8.776 ( 0.211 -1.278 -8.893) 8.987 8.776 ( 0.211 -1.278 8.893) 8.987 9.392 ( 2.344 -9.676 -7.070) 12.211 9.392 ( 2.344 -9.676 7.070) 12.211 9.989 ( -6.946 -7.609 -4.143) 11.104 9.989 ( -6.946 -7.609 4.143) 11.104 10.527 ( 1.218 -3.950 -5.176) 6.624 10.527 ( 1.218 -3.950 5.176) 6.624 10.956 ( 0.544 10.592 -1.918) 10.778 10.956 ( 0.544 10.592 1.918) 10.778 11.210 ( 2.307 9.745 -5.576) 11.462 11.210 ( 2.307 9.745 5.576) 11.462 11.931 ( -3.496 -7.841 -2.311) 8.891 11.931 ( -3.496 -7.841 2.311) 8.891 12.734 ( -2.186 -14.662 -0.867) 14.850 12.734 ( -2.186 -14.662 0.867) 14.850 13.489 ( -0.642 10.260 -0.745) 10.307 13.489 ( -0.642 10.260 0.745) 10.307 13.930 ( 0.662 -4.347 -3.636) 5.706 13.930 ( 0.662 -4.347 3.636) 5.706 14.067 ( 10.587 6.087 -9.705) 15.599 14.067 ( 10.587 6.087 9.705) 15.599 14.296 ( -10.235 0.859 -4.145) 11.075 14.296 ( -10.235 0.859 4.145) 11.075 14.932 ( -3.362 28.959 -4.451) 29.491 14.932 ( -3.362 28.959 4.451) 29.491 15.908 ( 5.052 -11.950 -4.762) 13.820 15.908 ( 5.052 -11.950 4.762) 13.820 16.506 ( 4.200 -7.410 -1.755) 8.697 16.506 ( 4.200 -7.410 1.755) 8.697 17.554 ( 3.056 -4.600 -4.564) 7.165 17.554 ( 3.056 -4.600 4.564) 7.165 17.928 ( 3.445 16.179 -5.666) 17.485 17.928 ( 3.445 16.179 5.666) 17.485 18.767 ( 4.064 -4.534 -4.573) 7.614 18.767 ( 4.064 -4.534 4.573) 7.614 19.103 ( -1.256 -23.830 -1.192) 23.893 19.103 ( -1.256 -23.830 1.192) 23.893 20.148 ( 3.105 -11.064 -9.371) 14.828 20.148 ( 3.105 -11.064 9.371) 14.828 20.319 ( -7.379 16.307 -3.478) 18.234 20.319 ( -7.379 16.307 3.478) 18.234 20.940 ( -4.463 2.912 -3.126) 6.178 20.940 ( -4.463 2.912 3.126) 6.178 ======================= Grid point 351 (111/120) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( 0.000 -6.937 -1.115) 7.026 2.407 ( 0.000 -6.937 1.115) 7.026 2.976 ( 0.000 -12.688 -5.243) 13.729 2.976 ( 0.000 -12.688 5.243) 13.729 3.221 ( 0.000 8.784 -14.244) 16.734 3.221 ( 0.000 8.784 14.244) 16.734 3.478 ( 0.000 -0.694 -1.530) 1.680 3.478 ( 0.000 -0.694 1.530) 1.680 3.881 ( 0.000 2.792 -2.564) 3.790 3.881 ( 0.000 2.792 2.564) 3.790 4.262 ( 0.000 -8.232 -7.469) 11.116 4.262 ( 0.000 -8.232 7.469) 11.116 7.132 ( 0.000 1.304 -13.313) 13.376 7.132 ( 0.000 1.304 13.313) 13.376 8.004 ( 0.000 5.476 -4.167) 6.881 8.004 ( 0.000 5.476 4.167) 6.881 9.164 ( 0.000 -2.157 -16.394) 16.535 9.164 ( 0.000 -2.157 16.394) 16.535 9.365 ( 0.000 -3.575 -5.463) 6.529 9.365 ( 0.000 -3.575 5.463) 6.529 9.781 ( 0.000 3.691 -5.519) 6.640 9.781 ( 0.000 3.691 5.519) 6.640 10.428 ( 0.000 -2.117 -4.900) 5.338 10.428 ( 0.000 -2.117 4.900) 5.338 11.135 ( 0.000 15.955 -5.349) 16.827 11.135 ( 0.000 15.955 5.349) 16.827 11.760 ( 0.000 -5.791 -15.799) 16.827 11.760 ( 0.000 -5.791 15.799) 16.827 12.336 ( 0.000 -8.121 -2.788) 8.587 12.336 ( 0.000 -8.121 2.788) 8.587 12.991 ( 0.000 -11.626 -2.975) 12.001 12.991 ( 0.000 -11.626 2.975) 12.001 13.422 ( 0.000 -5.692 -1.314) 5.842 13.422 ( 0.000 -5.692 1.314) 5.842 13.603 ( 0.000 1.882 -0.404) 1.925 13.603 ( 0.000 1.882 0.404) 1.925 13.883 ( 0.000 11.891 -6.713) 13.655 13.883 ( 0.000 11.891 6.713) 13.655 14.702 ( 0.000 -0.225 -7.629) 7.632 14.702 ( 0.000 -0.225 7.629) 7.632 15.008 ( 0.000 5.170 -13.084) 14.068 15.008 ( 0.000 5.170 13.084) 14.068 15.922 ( 0.000 15.563 -8.494) 17.730 15.922 ( 0.000 15.563 8.494) 17.730 16.372 ( 0.000 20.907 -21.071) 29.683 16.372 ( 0.000 20.907 21.071) 29.683 16.722 ( 0.000 -2.531 -13.358) 13.596 16.722 ( 0.000 -2.531 13.358) 13.596 17.363 ( 0.000 0.209 -16.732) 16.733 17.363 ( 0.000 0.209 16.732) 16.733 18.198 ( 0.000 -25.558 -9.279) 27.191 18.198 ( 0.000 -25.558 9.279) 27.191 18.698 ( 0.000 -8.689 -9.514) 12.885 18.698 ( 0.000 -8.689 9.514) 12.885 19.706 ( 0.000 3.713 -8.690) 9.450 19.706 ( 0.000 3.713 8.690) 9.450 21.330 ( 0.000 -3.464 -8.986) 9.631 21.330 ( 0.000 -3.464 8.986) 9.631 21.704 ( 0.000 2.424 -6.408) 6.852 21.704 ( 0.000 2.424 6.408) 6.852 ======================= Grid point 353 (112/120) ======================= q-point: ( 0.11 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 2.219 -5.619 -1.872) 6.325 2.433 ( 2.219 -5.619 1.872) 6.325 2.892 ( -4.764 -6.749 -1.930) 8.483 2.892 ( -4.764 -6.749 1.930) 8.483 3.327 ( 4.984 -3.391 -5.740) 8.324 3.327 ( 4.984 -3.391 5.740) 8.324 3.491 ( 2.890 3.889 -2.857) 5.625 3.491 ( 2.890 3.889 2.857) 5.625 3.813 ( -6.202 2.817 -3.025) 7.454 3.813 ( -6.202 2.817 3.025) 7.454 4.272 ( 1.053 -8.628 -6.013) 10.570 4.272 ( 1.053 -8.628 6.013) 10.570 7.237 ( 9.653 2.700 -12.978) 16.398 7.237 ( 9.653 2.700 12.978) 16.398 8.102 ( 8.604 6.383 -3.189) 11.178 8.102 ( 8.604 6.383 3.189) 11.178 9.110 ( -4.853 -0.939 -14.708) 15.516 9.110 ( -4.853 -0.939 14.708) 15.516 9.320 ( -3.077 -2.565 -17.380) 17.835 9.320 ( -3.077 -2.565 17.380) 17.835 9.895 ( 8.644 1.154 -14.723) 17.112 9.895 ( 8.644 1.154 14.723) 17.112 10.393 ( -2.840 -3.825 -5.874) 7.563 10.393 ( -2.840 -3.825 5.874) 7.563 11.113 ( -2.401 13.777 -10.284) 17.359 11.113 ( -2.401 13.777 10.284) 17.359 11.693 ( -4.893 -1.260 -12.285) 13.283 11.693 ( -4.893 -1.260 12.285) 13.283 12.234 ( -8.409 -9.160 -4.691) 13.290 12.234 ( -8.409 -9.160 4.691) 13.290 12.959 ( -11.040 -4.928 -4.563) 12.923 12.959 ( -11.040 -4.928 4.563) 12.923 13.286 ( 4.479 -13.698 -2.883) 14.697 13.286 ( 4.479 -13.698 2.883) 14.697 13.842 ( 8.972 1.221 -1.759) 9.224 13.842 ( 8.972 1.221 1.759) 9.224 13.912 ( 5.000 17.596 -8.179) 20.038 13.912 ( 5.000 17.596 8.179) 20.038 14.645 ( -4.916 -1.128 -9.630) 10.871 14.645 ( -4.916 -1.128 9.630) 10.871 15.018 ( 1.852 3.099 -11.591) 12.140 15.018 ( 1.852 3.099 11.591) 12.140 15.964 ( 1.435 13.672 -11.036) 17.628 15.964 ( 1.435 13.672 11.036) 17.628 16.284 ( -4.445 18.501 -15.550) 24.573 16.284 ( -4.445 18.501 15.550) 24.573 16.846 ( 9.454 -3.102 -15.454) 18.380 16.846 ( 9.454 -3.102 15.454) 18.380 17.440 ( 7.393 1.752 -15.449) 17.216 17.440 ( 7.393 1.752 15.449) 17.216 18.273 ( 6.474 -24.661 -9.105) 27.073 18.273 ( 6.474 -24.661 9.105) 27.073 18.736 ( 3.171 -5.915 -7.835) 10.316 18.736 ( 3.171 -5.915 7.835) 10.316 19.708 ( 0.456 0.402 -11.421) 11.437 19.708 ( 0.456 0.402 11.421) 11.437 21.254 ( -7.111 -2.077 -10.741) 13.048 21.254 ( -7.111 -2.077 10.741) 13.048 21.611 ( -8.421 2.612 -3.702) 9.562 21.611 ( -8.421 2.612 3.702) 9.562 ======================= Grid point 355 (113/120) ======================= q-point: ( 0.22 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( 2.553 -1.505 -2.573) 3.925 2.485 ( 2.553 -1.505 2.573) 3.925 2.834 ( -0.655 -6.512 -1.582) 6.734 2.834 ( -0.655 -6.512 1.582) 6.734 3.338 ( -2.105 -3.960 -0.701) 4.539 3.338 ( -2.105 -3.960 0.701) 4.539 3.601 ( 0.161 2.630 -5.475) 6.076 3.601 ( 0.161 2.630 5.475) 6.076 3.658 ( -3.002 1.494 -5.664) 6.582 3.658 ( -3.002 1.494 5.664) 6.582 4.315 ( 3.295 -10.724 -3.834) 11.855 4.315 ( 3.295 -10.724 3.834) 11.855 7.506 ( 15.268 6.920 -11.692) 20.438 7.506 ( 15.268 6.920 11.692) 20.438 8.310 ( 9.989 8.472 -4.741) 13.930 8.310 ( 9.989 8.472 4.741) 13.930 8.988 ( -6.192 2.600 -7.966) 10.419 8.988 ( -6.192 2.600 7.966) 10.419 9.262 ( -2.437 -3.091 -19.785) 20.172 9.262 ( -2.437 -3.091 19.785) 20.172 10.029 ( 1.656 -5.697 -15.079) 16.205 10.029 ( 1.656 -5.697 15.079) 16.205 10.338 ( -1.875 -8.112 -5.424) 9.937 10.338 ( -1.875 -8.112 5.424) 9.937 11.069 ( 0.249 12.237 -11.195) 16.587 11.069 ( 0.249 12.237 11.195) 16.587 11.597 ( -4.827 9.056 -7.268) 12.575 11.597 ( -4.827 9.056 7.268) 12.575 12.029 ( -9.988 -9.542 -5.190) 14.756 12.029 ( -9.988 -9.542 5.190) 14.756 12.682 ( -11.600 -12.730 -1.776) 17.314 12.682 ( -11.600 -12.730 1.776) 17.314 13.487 ( 10.385 -5.796 -1.787) 12.026 13.487 ( 10.385 -5.796 1.787) 12.026 13.865 ( -1.973 5.102 -6.992) 8.878 13.865 ( -1.973 5.102 6.992) 8.878 14.111 ( 8.764 19.114 -9.384) 23.026 14.111 ( 8.764 19.114 9.384) 23.026 14.526 ( -5.540 -3.207 -9.457) 11.420 14.526 ( -5.540 -3.207 9.457) 11.420 15.124 ( 8.480 -1.215 -11.055) 13.986 15.124 ( 8.480 -1.215 11.055) 13.986 15.888 ( -7.372 18.165 -15.059) 24.720 15.888 ( -7.372 18.165 15.059) 24.720 16.278 ( 2.138 5.160 -5.174) 7.613 16.278 ( 2.138 5.160 5.174) 7.613 17.067 ( 11.047 -5.268 -14.536) 19.002 17.067 ( 11.047 -5.268 14.536) 19.002 17.667 ( 13.858 5.043 -13.930) 20.286 17.667 ( 13.858 5.043 13.930) 20.286 18.430 ( 7.609 -21.422 -9.083) 24.480 18.430 ( 7.609 -21.422 9.083) 24.480 18.798 ( 1.987 -0.783 -3.264) 3.900 18.798 ( 1.987 -0.783 3.264) 3.900 19.737 ( 2.331 -8.325 -17.632) 19.637 19.737 ( 2.331 -8.325 17.632) 19.637 21.047 ( -12.057 2.964 -13.409) 18.275 21.047 ( -12.057 2.964 13.409) 18.275 21.385 ( -12.135 2.223 -5.097) 13.348 21.385 ( -12.135 2.223 5.097) 13.348 ======================= Grid point 357 (114/120) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( 3.445 2.693 -2.753) 5.167 2.545 ( 3.445 2.693 2.753) 5.167 2.845 ( 1.042 -6.263 -1.182) 6.458 2.845 ( 1.042 -6.263 1.182) 6.458 3.277 ( -3.520 -2.102 -1.714) 4.443 3.277 ( -3.520 -2.102 1.714) 4.443 3.420 ( -9.507 1.709 -5.996) 11.369 3.420 ( -9.507 1.709 5.996) 11.369 3.749 ( 4.555 0.983 -1.613) 4.931 3.749 ( 4.555 0.983 1.613) 4.931 4.403 ( 4.505 -15.351 -2.682) 16.222 4.403 ( 4.505 -15.351 2.682) 16.222 7.835 ( 15.045 14.503 -9.346) 22.892 7.835 ( 15.045 14.503 9.346) 22.892 8.486 ( 6.556 9.649 -14.454) 18.574 8.486 ( 6.556 9.649 14.454) 18.574 8.871 ( -4.600 6.197 -2.978) 8.272 8.871 ( -4.600 6.197 2.978) 8.272 9.212 ( -2.420 -5.906 -15.987) 17.214 9.212 ( -2.420 -5.906 15.987) 17.214 9.941 ( -8.430 -12.449 -11.062) 18.666 9.941 ( -8.430 -12.449 11.062) 18.666 10.318 ( -0.139 -13.603 -4.316) 14.271 10.318 ( -0.139 -13.603 4.316) 14.271 11.157 ( 6.370 14.638 -4.730) 16.650 11.157 ( 6.370 14.638 4.730) 16.650 11.474 ( -5.613 13.754 -8.952) 17.344 11.474 ( -5.613 13.754 8.952) 17.344 11.867 ( -5.409 -8.435 -4.963) 11.182 11.867 ( -5.409 -8.435 4.963) 11.182 12.501 ( -6.161 -16.932 -2.456) 18.184 12.501 ( -6.161 -16.932 2.456) 18.184 13.647 ( 3.773 3.231 -1.507) 5.191 13.647 ( 3.773 3.231 1.507) 5.191 13.824 ( -0.517 0.567 -2.396) 2.516 13.824 ( -0.517 0.567 2.396) 2.516 14.215 ( 1.077 16.081 -14.783) 21.870 14.215 ( 1.077 16.081 14.783) 21.870 14.462 ( -0.138 3.459 -2.852) 4.485 14.462 ( -0.138 3.459 2.852) 4.485 15.347 ( 11.692 -1.445 -10.305) 15.652 15.347 ( 11.692 -1.445 10.305) 15.652 15.737 ( -5.991 19.732 -11.656) 23.688 15.737 ( -5.991 19.732 11.656) 23.688 16.300 ( -0.450 -8.019 -5.118) 9.524 16.300 ( -0.450 -8.019 5.118) 9.524 17.280 ( 8.570 -8.764 -10.187) 15.938 17.280 ( 8.570 -8.764 10.187) 15.938 17.992 ( 16.356 9.297 -12.781) 22.745 17.992 ( 16.356 9.297 12.781) 22.745 18.559 ( 4.365 -14.714 -7.296) 16.994 18.559 ( 4.365 -14.714 7.296) 16.994 18.802 ( -1.718 -1.430 -2.805) 3.587 18.802 ( -1.718 -1.430 2.805) 3.587 19.791 ( 2.265 -16.850 -17.775) 24.596 19.791 ( 2.265 -16.850 17.775) 24.597 20.796 ( -10.726 10.094 -11.382) 18.614 20.796 ( -10.726 10.094 11.382) 18.614 21.142 ( -10.315 1.374 -7.412) 12.776 21.142 ( -10.315 1.374 7.412) 12.776 ======================= Grid point 359 (115/120) ======================= q-point: ( 0.44 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( 2.927 5.378 -2.152) 6.490 2.621 ( 2.927 5.378 2.152) 6.490 2.855 ( -0.233 -3.654 -2.119) 4.231 2.855 ( -0.233 -3.654 2.119) 4.231 3.216 ( -1.111 -2.613 -5.621) 6.297 3.216 ( -1.111 -2.613 5.621) 6.297 3.261 ( -5.227 -1.172 -8.592) 10.125 3.261 ( -5.227 -1.172 8.592) 10.125 3.821 ( 2.001 3.784 -0.765) 4.348 3.821 ( 2.001 3.784 0.765) 4.348 4.476 ( 1.978 -19.302 -1.010) 19.429 4.476 ( 1.978 -19.302 1.010) 19.429 8.080 ( 6.964 24.312 -4.534) 25.693 8.080 ( 6.964 24.312 4.534) 25.693 8.582 ( 2.556 10.801 -13.022) 17.111 8.582 ( 2.556 10.801 13.023) 17.111 8.804 ( -1.746 5.430 -7.977) 9.806 8.804 ( -1.746 5.430 7.977) 9.806 9.168 ( -1.475 -11.701 -6.707) 13.567 9.168 ( -1.476 -11.701 6.707) 13.567 9.773 ( -5.380 -13.007 -4.102) 14.662 9.773 ( -5.380 -13.007 4.102) 14.662 10.321 ( 0.178 -17.758 -1.653) 17.836 10.321 ( 0.178 -17.758 1.653) 17.836 11.221 ( -0.252 14.496 -0.465) 14.506 11.221 ( -0.252 14.496 0.465) 14.506 11.451 ( 2.486 14.237 -6.906) 16.018 11.451 ( 2.486 14.237 6.906) 16.018 11.782 ( -2.635 -6.333 -3.004) 7.488 11.782 ( -2.635 -6.333 3.004) 7.488 12.412 ( -2.249 -17.127 -1.357) 17.327 12.412 ( -2.249 -17.127 1.357) 17.327 13.657 ( -0.861 5.648 -1.854) 6.007 13.657 ( -0.861 5.648 1.854) 6.007 13.847 ( 1.239 -3.570 -2.523) 4.544 13.847 ( 1.239 -3.570 2.523) 4.544 14.215 ( -0.031 9.759 -9.294) 13.476 14.215 ( -0.031 9.759 9.294) 13.476 14.472 ( 0.270 14.043 -2.216) 14.219 14.472 ( 0.270 14.043 2.216) 14.219 15.538 ( 4.488 23.443 -3.901) 24.186 15.538 ( 4.488 23.443 3.901) 24.186 15.668 ( -0.131 -1.980 -4.654) 5.059 15.668 ( -0.131 -1.980 4.654) 5.059 16.272 ( -1.483 -15.842 -3.938) 16.392 16.272 ( -1.483 -15.842 3.938) 16.392 17.402 ( 2.896 -13.467 -3.586) 14.234 17.402 ( 2.896 -13.467 3.586) 14.234 18.294 ( 10.286 18.588 -7.871) 22.656 18.294 ( 10.286 18.588 7.871) 22.656 18.623 ( 2.658 -11.173 -3.541) 12.018 18.623 ( 2.658 -11.173 3.541) 12.018 18.722 ( -5.575 -8.479 -1.379) 10.241 18.722 ( -5.575 -8.479 1.379) 10.241 19.820 ( 0.614 -20.549 -6.799) 21.653 19.820 ( 0.614 -20.549 6.799) 21.653 20.636 ( -4.056 14.111 -4.706) 15.418 20.636 ( -4.056 14.111 4.706) 15.418 20.987 ( -3.966 1.300 -3.431) 5.403 20.987 ( -3.966 1.300 3.431) 5.403 ======================= Grid point 369 (116/120) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( 0.000 6.664 -0.071) 6.665 2.401 ( 0.000 6.664 0.071) 6.665 2.648 ( 0.000 -17.036 -2.711) 17.250 2.648 ( 0.000 -17.036 2.711) 17.250 3.374 ( 0.000 5.174 -5.889) 7.839 3.374 ( 0.000 5.174 5.889) 7.839 3.508 ( 0.000 1.799 -0.410) 1.845 3.508 ( 0.000 1.799 0.410) 1.845 3.910 ( 0.000 0.154 -1.647) 1.654 3.910 ( 0.000 0.154 1.647) 1.654 4.131 ( 0.000 -4.024 -3.385) 5.259 4.131 ( 0.000 -4.024 3.385) 5.259 7.140 ( 0.000 -0.035 -4.420) 4.420 7.140 ( 0.000 -0.035 4.420) 4.420 8.086 ( 0.000 2.297 -2.039) 3.072 8.086 ( 0.000 2.297 2.039) 3.072 9.141 ( 0.000 -0.422 -5.028) 5.046 9.141 ( 0.000 -0.422 5.028) 5.046 9.300 ( 0.000 -2.054 -0.500) 2.114 9.300 ( 0.000 -2.054 0.500) 2.114 9.904 ( 0.000 6.132 -2.663) 6.685 9.904 ( 0.000 6.132 2.663) 6.685 10.356 ( 0.000 -3.956 -3.992) 5.620 10.356 ( 0.000 -3.956 3.992) 5.620 11.421 ( 0.000 12.581 -1.077) 12.627 11.421 ( 0.000 12.581 1.077) 12.627 11.624 ( 0.000 -8.244 -7.260) 10.985 11.624 ( 0.000 -8.244 7.260) 10.985 12.202 ( 0.000 -4.326 -1.019) 4.444 12.202 ( 0.000 -4.326 1.019) 4.444 12.806 ( 0.000 -5.554 -0.156) 5.557 12.806 ( 0.000 -5.554 0.156) 5.557 13.306 ( 0.000 -3.324 -1.205) 3.536 13.306 ( 0.000 -3.324 1.205) 3.536 13.671 ( 0.000 2.170 -0.836) 2.325 13.671 ( 0.000 2.170 0.836) 2.325 14.082 ( 0.000 6.193 -3.268) 7.002 14.082 ( 0.000 6.193 3.268) 7.002 14.699 ( 0.000 -0.058 -2.974) 2.974 14.699 ( 0.000 -0.058 2.974) 2.974 15.088 ( 0.000 2.592 -5.652) 6.218 15.088 ( 0.000 2.592 5.652) 6.218 16.202 ( 0.000 11.346 -5.421) 12.575 16.202 ( 0.000 11.346 5.421) 12.575 16.542 ( 0.000 -6.717 -8.156) 10.566 16.542 ( 0.000 -6.717 8.156) 10.566 16.809 ( 0.000 12.870 -1.471) 12.954 16.809 ( 0.000 12.870 1.471) 12.954 17.429 ( 0.000 7.085 -12.074) 14.000 17.429 ( 0.000 7.085 12.074) 14.000 17.729 ( 0.000 -20.817 -13.569) 24.849 17.729 ( 0.000 -20.817 13.569) 24.849 18.566 ( 0.000 -3.831 -3.475) 5.172 18.566 ( 0.000 -3.831 3.475) 5.172 19.726 ( 0.000 -0.397 -4.313) 4.331 19.726 ( 0.000 -0.397 4.313) 4.331 21.290 ( 0.000 -0.835 -3.092) 3.203 21.290 ( 0.000 -0.835 3.092) 3.203 21.735 ( 0.000 0.803 -2.070) 2.220 21.735 ( 0.000 0.803 2.070) 2.220 ======================= Grid point 371 (117/120) ======================= q-point: ( 0.11 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 3.047 6.132 -0.773) 6.891 2.434 ( 3.047 6.132 0.773) 6.891 2.652 ( 0.463 -14.450 -3.164) 14.800 2.652 ( 0.463 -14.450 3.164) 14.800 3.313 ( -3.338 1.110 -3.793) 5.173 3.313 ( -3.338 1.110 3.793) 5.173 3.583 ( 4.681 3.454 -2.845) 6.476 3.583 ( 4.681 3.454 2.845) 6.476 3.839 ( -6.381 -0.049 -1.818) 6.635 3.839 ( -6.381 -0.049 1.818) 6.635 4.142 ( 0.929 -3.752 -2.828) 4.790 4.142 ( 0.929 -3.752 2.828) 4.790 7.263 ( 11.323 0.387 -4.266) 12.106 7.263 ( 11.323 0.387 4.266) 12.106 8.203 ( 10.334 2.937 -1.866) 10.904 8.203 ( 10.334 2.937 1.866) 10.904 9.110 ( -2.659 0.394 -4.912) 5.599 9.110 ( -2.659 0.394 4.912) 5.599 9.276 ( -1.970 -1.432 -7.450) 7.838 9.276 ( -1.970 -1.432 7.450) 7.838 9.973 ( 4.783 5.247 -6.992) 9.965 9.973 ( 4.783 5.247 6.992) 9.965 10.285 ( -6.315 -5.813 -4.887) 9.877 10.285 ( -6.315 -5.813 4.887) 9.877 11.364 ( -5.469 10.492 -8.541) 14.592 11.364 ( -5.469 10.492 8.541) 14.592 11.616 ( 1.266 -5.985 -8.367) 10.365 11.616 ( 1.266 -5.985 8.367) 10.365 12.099 ( -7.764 -3.675 -1.087) 8.658 12.099 ( -7.764 -3.675 1.087) 8.658 12.918 ( -15.242 0.976 -3.757) 15.728 12.918 ( -15.242 0.976 3.757) 15.728 13.048 ( 8.593 -8.853 -3.875) 12.932 13.048 ( 8.593 -8.853 3.875) 12.932 13.865 ( 7.507 0.729 -0.528) 7.561 13.865 ( 7.507 0.729 0.528) 7.561 14.191 ( 10.646 8.223 -3.639) 13.936 14.191 ( 10.646 8.223 3.639) 13.936 14.632 ( -5.945 -0.232 -3.852) 7.088 14.632 ( -5.945 -0.232 3.852) 7.088 15.075 ( -0.471 2.237 -5.318) 5.788 15.075 ( -0.471 2.237 5.318) 5.788 16.192 ( -1.365 8.164 -6.017) 10.233 16.192 ( -1.365 8.164 6.017) 10.233 16.479 ( -5.282 -1.011 -7.894) 9.552 16.479 ( -5.282 -1.011 7.894) 9.552 16.874 ( 5.398 7.201 -9.535) 13.111 16.874 ( 5.398 7.201 9.535) 13.111 17.523 ( 8.857 7.115 -13.395) 17.564 17.523 ( 8.857 7.115 13.395) 17.564 17.814 ( 7.802 -20.172 -13.803) 25.658 17.814 ( 7.802 -20.172 13.803) 25.658 18.663 ( 8.406 -1.586 -2.294) 8.856 18.663 ( 8.406 -1.586 2.294) 8.856 19.674 ( -4.757 -2.129 -5.698) 7.722 19.674 ( -4.757 -2.129 5.698) 7.722 21.236 ( -4.951 -0.204 -3.521) 6.079 21.236 ( -4.951 -0.204 3.521) 6.079 21.645 ( -8.257 0.898 -1.306) 8.407 21.645 ( -8.257 0.898 1.306) 8.407 ======================= Grid point 373 (118/120) ======================= q-point: ( 0.22 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 4.633 5.176 -2.173) 7.279 2.518 ( 4.633 5.176 2.173) 7.279 2.673 ( 1.760 -9.355 -3.864) 10.274 2.673 ( 1.760 -9.355 3.864) 10.274 3.268 ( -1.216 -1.784 -1.810) 2.817 3.268 ( -1.216 -1.784 1.810) 2.817 3.647 ( -5.782 1.960 -6.112) 8.639 3.647 ( -5.782 1.960 6.111) 8.639 3.684 ( -0.506 0.108 -4.760) 4.788 3.684 ( -0.506 0.108 4.760) 4.788 4.165 ( 1.164 -3.981 -1.887) 4.557 4.165 ( 1.164 -3.981 1.887) 4.557 7.585 ( 18.734 1.617 -3.695) 19.163 7.585 ( 18.734 1.617 3.695) 19.163 8.458 ( 12.371 4.631 -3.702) 13.719 8.458 ( 12.371 4.631 3.702) 13.719 9.055 ( -1.861 2.934 -4.462) 5.655 9.055 ( -1.861 2.934 4.462) 5.655 9.229 ( -2.521 -0.455 -11.775) 12.050 9.229 ( -2.521 -0.455 11.775) 12.050 9.982 ( -6.456 2.638 -11.637) 13.567 9.982 ( -6.456 2.638 11.637) 13.567 10.136 ( -6.731 -11.104 -5.045) 13.931 10.136 ( -6.731 -11.104 5.045) 13.931 11.298 ( 1.521 8.609 -8.135) 11.942 11.298 ( 1.521 8.609 8.135) 11.942 11.668 ( 2.474 -1.672 -8.611) 9.114 11.668 ( 2.474 -1.672 8.611) 9.114 11.923 ( -8.527 -0.702 -3.125) 9.109 11.923 ( -8.527 -0.702 3.125) 9.109 12.485 ( -18.802 -5.990 -0.362) 19.736 12.485 ( -18.802 -5.989 0.362) 19.736 13.391 ( 16.780 -2.885 -0.606) 17.037 13.391 ( 16.780 -2.885 0.606) 17.037 13.916 ( -1.440 0.964 -1.875) 2.553 13.916 ( -1.440 0.964 1.875) 2.553 14.447 ( 7.715 10.039 -10.133) 16.217 14.447 ( 7.715 10.039 10.134) 16.217 14.490 ( -2.489 0.105 -5.089) 5.666 14.490 ( -2.489 0.105 5.089) 5.666 15.109 ( 4.411 0.271 -5.365) 6.951 15.109 ( 4.411 0.271 5.365) 6.951 16.137 ( -3.781 2.609 -5.296) 7.011 16.137 ( -3.782 2.609 5.296) 7.011 16.355 ( -5.787 5.924 -6.538) 10.551 16.355 ( -5.787 5.924 6.538) 10.551 16.992 ( 4.800 -2.142 -9.884) 11.195 16.992 ( 4.800 -2.142 9.884) 11.195 17.784 ( 15.430 7.384 -15.019) 22.763 17.784 ( 15.430 7.384 15.019) 22.763 18.030 ( 12.144 -16.727 -14.117) 25.032 18.030 ( 12.144 -16.727 14.117) 25.032 18.857 ( 8.552 4.198 -2.110) 9.758 18.857 ( 8.552 4.198 2.110) 9.758 19.546 ( -6.794 -7.950 -9.954) 14.437 19.546 ( -6.794 -7.950 9.954) 14.437 21.100 ( -7.527 1.704 -4.667) 9.018 21.100 ( -7.527 1.704 4.667) 9.018 21.416 ( -12.770 0.832 -2.156) 12.977 21.416 ( -12.770 0.832 2.156) 12.977 ======================= Grid point 375 (119/120) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 5.170 4.707 -3.891) 8.002 2.620 ( 5.170 4.707 3.891) 8.002 2.729 ( 3.440 -5.577 -3.607) 7.480 2.729 ( 3.440 -5.577 3.607) 7.480 3.232 ( -2.857 -1.639 -0.462) 3.326 3.232 ( -2.857 -1.639 0.462) 3.326 3.429 ( -11.017 -0.224 -2.464) 11.292 3.429 ( -11.017 -0.224 2.464) 11.292 3.778 ( 6.355 1.202 -0.781) 6.514 3.778 ( 6.355 1.202 0.781) 6.514 4.181 ( 0.007 -6.164 -1.610) 6.371 4.181 ( 0.007 -6.165 1.610) 6.371 8.015 ( 21.614 4.026 -2.850) 22.169 8.015 ( 21.614 4.026 2.850) 22.169 8.668 ( 7.387 5.637 -9.037) 12.962 8.668 ( 7.387 5.637 9.037) 12.962 9.042 ( -0.174 8.439 -8.429) 11.929 9.042 ( -0.174 8.439 8.429) 11.929 9.158 ( -4.756 0.480 -13.615) 14.430 9.158 ( -4.756 0.480 13.615) 14.430 9.757 ( -12.237 -3.427 -8.829) 15.474 9.757 ( -12.237 -3.427 8.829) 15.474 9.989 ( -7.130 -16.448 -3.932) 18.353 9.989 ( -7.130 -16.448 3.932) 18.353 11.410 ( 6.523 8.902 -3.730) 11.649 11.410 ( 6.523 8.902 3.730) 11.649 11.684 ( -1.133 1.806 -11.201) 11.402 11.684 ( -1.133 1.806 11.201) 11.402 11.775 ( -4.461 4.213 -7.726) 9.866 11.775 ( -4.461 4.213 7.726) 9.866 12.192 ( -8.998 -12.650 -2.118) 15.668 12.192 ( -8.998 -12.650 2.118) 15.668 13.668 ( 8.241 0.148 -1.019) 8.305 13.668 ( 8.241 0.148 1.019) 8.305 13.846 ( -4.246 0.631 -1.992) 4.732 13.846 ( -4.246 0.631 1.992) 4.732 14.374 ( -0.899 2.422 -7.218) 7.666 14.374 ( -0.899 2.422 7.218) 7.666 14.660 ( 5.153 9.653 -2.991) 11.344 14.660 ( 5.153 9.653 2.991) 11.344 15.272 ( 11.051 -1.281 -6.222) 12.747 15.272 ( 11.051 -1.281 6.222) 12.747 16.036 ( -5.932 -5.815 -3.385) 8.970 16.036 ( -5.932 -5.815 3.385) 8.970 16.269 ( -1.738 17.392 -5.579) 18.348 16.269 ( -1.738 17.392 5.579) 18.348 17.037 ( -0.841 -13.922 -6.440) 15.362 17.037 ( -0.841 -13.922 6.440) 15.362 18.133 ( 17.012 5.875 -14.711) 23.245 18.133 ( 17.012 5.875 14.711) 23.245 18.289 ( 11.794 -10.218 -12.506) 19.998 18.289 ( 11.794 -10.218 12.506) 19.998 18.960 ( 0.372 13.347 -9.012) 16.109 18.960 ( 0.372 13.347 9.012) 16.109 19.424 ( -4.180 -17.950 -13.899) 23.084 19.424 ( -4.180 -17.950 13.899) 23.084 20.948 ( -6.383 4.513 -5.856) 9.768 20.948 ( -6.383 4.513 5.856) 9.768 21.153 ( -11.406 -0.076 -4.563) 12.285 21.153 ( -11.406 -0.076 4.563) 12.285 ======================= Grid point 377 (120/120) ======================= q-point: ( 0.44 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 4.023 4.584 -3.525) 7.044 2.725 ( 4.023 4.584 3.525) 7.044 2.796 ( 2.078 -2.669 -1.283) 3.617 2.796 ( 2.078 -2.669 1.283) 3.617 3.166 ( -2.121 -1.138 -0.212) 2.416 3.166 ( -2.121 -1.138 0.212) 2.416 3.230 ( -6.746 -1.977 -3.650) 7.921 3.230 ( -6.746 -1.977 3.650) 7.921 3.915 ( 5.155 5.369 -0.873) 7.494 3.915 ( 5.155 5.369 0.873) 7.494 4.159 ( -1.673 -11.512 -1.078) 11.683 4.159 ( -1.673 -11.512 1.078) 11.683 8.447 ( 17.625 10.443 -2.574) 20.648 8.447 ( 17.625 10.443 2.574) 20.648 8.774 ( 1.779 4.276 -7.593) 8.893 8.774 ( 1.779 4.276 7.593) 8.893 8.997 ( -4.211 9.556 -3.826) 11.121 8.997 ( -4.211 9.556 3.826) 11.121 9.015 ( -7.104 0.596 -4.034) 8.191 9.015 ( -7.104 0.596 4.034) 8.191 9.571 ( -4.193 -2.482 -4.263) 6.474 9.571 ( -4.193 -2.481 4.263) 6.474 9.876 ( -3.007 -24.270 -2.644) 24.598 9.876 ( -3.007 -24.270 2.644) 24.598 11.475 ( 0.131 10.552 -2.294) 10.799 11.475 ( 0.131 10.552 2.294) 10.799 11.657 ( -0.999 -5.011 -7.650) 9.200 11.657 ( -0.999 -5.011 7.650) 9.200 11.756 ( 1.512 13.773 -4.524) 14.575 11.756 ( 1.512 13.773 4.524) 14.575 12.084 ( -2.186 -15.690 -2.330) 16.012 12.084 ( -2.186 -15.690 2.330) 16.012 13.726 ( -0.720 2.358 -0.637) 2.546 13.726 ( -0.720 2.358 0.637) 2.546 13.785 ( -1.118 -2.739 -1.033) 3.133 13.785 ( -1.118 -2.739 1.033) 3.133 14.441 ( 4.966 10.747 -5.473) 13.042 14.441 ( 4.966 10.747 5.473) 13.042 14.675 ( -2.197 2.768 -3.669) 5.094 14.676 ( -2.197 2.768 3.669) 5.094 15.513 ( 9.337 3.054 -4.920) 10.987 15.513 ( 9.337 3.054 4.920) 10.987 15.900 ( -5.953 -15.531 -3.930) 17.091 15.900 ( -5.953 -15.531 3.930) 17.091 16.280 ( 1.586 32.145 -2.849) 32.310 16.280 ( 1.586 32.145 2.849) 32.310 16.979 ( -3.053 -27.598 -2.401) 27.870 16.979 ( -3.053 -27.598 2.401) 27.870 18.433 ( 8.781 0.377 -7.196) 11.359 18.433 ( 8.781 0.377 7.196) 11.359 18.493 ( 7.550 -4.501 -8.171) 12.001 18.493 ( 7.550 -4.501 8.171) 12.001 18.889 ( -5.168 22.258 -8.422) 24.353 18.889 ( -5.168 22.258 8.422) 24.353 19.371 ( -1.221 -24.375 -6.667) 25.300 19.371 ( -1.221 -24.375 6.667) 25.300 20.854 ( -2.301 7.713 -3.906) 8.947 20.854 ( -2.301 7.713 3.906) 8.947 20.978 ( -4.649 -2.254 -3.449) 6.212 20.978 ( -4.649 -2.254 3.449) 6.212 =================== 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 3/37800 10.0 21672.797 26709.653 20442.967 0.000 0.000 -0.000 3/37800 20.0 1818.385 2248.634 2097.674 0.000 0.000 -0.000 3/37800 30.0 729.918 1040.348 912.087 0.000 0.000 -0.000 3/37800 40.0 421.180 623.860 528.411 0.000 0.000 -0.000 3/37800 50.0 264.723 395.484 333.819 0.000 0.000 0.000 3/37800 60.0 175.009 262.672 222.858 0.000 0.000 0.000 3/37800 70.0 120.946 182.329 155.653 0.000 0.000 0.000 3/37800 80.0 87.193 131.812 113.162 0.000 0.000 -0.000 3/37800 90.0 65.373 98.829 85.294 0.000 0.000 -0.000 3/37800 100.0 50.761 76.523 66.390 0.000 0.000 -0.000 3/37800 110.0 40.641 60.949 53.162 0.000 0.000 -0.000 3/37800 120.0 33.410 49.761 43.639 0.000 0.000 -0.000 3/37800 130.0 28.095 41.516 36.603 0.000 0.000 -0.000 3/37800 140.0 24.089 35.299 31.282 0.000 0.000 -0.000 3/37800 150.0 21.000 30.512 27.172 0.000 0.000 -0.000 3/37800 160.0 18.569 26.758 23.936 0.000 0.000 -0.000 3/37800 170.0 16.621 23.761 21.344 0.000 0.000 -0.000 3/37800 180.0 15.034 21.332 19.235 0.000 0.000 -0.000 3/37800 190.0 13.722 19.334 17.494 0.000 0.000 -0.000 3/37800 200.0 12.623 17.670 16.038 0.000 0.000 -0.000 3/37800 210.0 11.691 16.267 14.806 0.000 0.000 -0.000 3/37800 220.0 10.892 15.071 13.752 0.000 0.000 -0.000 3/37800 230.0 10.199 14.041 12.842 0.000 0.000 -0.000 3/37800 240.0 9.595 13.146 12.049 0.000 0.000 -0.000 3/37800 250.0 9.062 12.363 11.353 0.000 0.000 -0.000 3/37800 260.0 8.589 11.671 10.736 0.000 0.000 -0.000 3/37800 270.0 8.167 11.057 10.187 0.000 0.000 -0.000 3/37800 280.0 7.787 10.507 9.694 0.000 0.000 -0.000 3/37800 290.0 7.443 10.012 9.250 0.000 0.000 -0.000 3/37800 300.0 7.131 9.565 8.848 0.000 0.000 -0.000 3/37800 310.0 6.846 9.158 8.481 0.000 0.000 -0.000 3/37800 320.0 6.585 8.787 8.145 0.000 0.000 -0.000 3/37800 330.0 6.344 8.446 7.837 0.000 0.000 -0.000 3/37800 340.0 6.122 8.133 7.553 0.000 0.000 -0.000 3/37800 350.0 5.916 7.844 7.290 0.000 0.000 -0.000 3/37800 360.0 5.724 7.576 7.046 0.000 0.000 -0.000 3/37800 370.0 5.545 7.326 6.819 0.000 0.000 -0.000 3/37800 380.0 5.378 7.094 6.607 0.000 0.000 -0.000 3/37800 390.0 5.221 6.877 6.409 0.000 0.000 -0.000 3/37800 400.0 5.074 6.673 6.223 0.000 0.000 -0.000 3/37800 410.0 4.935 6.482 6.048 0.000 0.000 -0.000 3/37800 420.0 4.804 6.303 5.883 0.000 0.000 -0.000 3/37800 430.0 4.680 6.133 5.728 0.000 0.000 -0.000 3/37800 440.0 4.563 5.973 5.581 0.000 0.000 -0.000 3/37800 450.0 4.452 5.822 5.441 0.000 0.000 -0.000 3/37800 460.0 4.346 5.678 5.309 0.000 0.000 -0.000 3/37800 470.0 4.245 5.542 5.184 0.000 0.000 -0.000 3/37800 480.0 4.150 5.412 5.064 0.000 0.000 -0.000 3/37800 490.0 4.058 5.289 4.950 0.000 0.000 -0.000 3/37800 500.0 3.971 5.171 4.842 0.000 0.000 -0.000 3/37800 510.0 3.888 5.059 4.738 0.000 0.000 -0.000 3/37800 520.0 3.808 4.951 4.639 0.000 0.000 -0.000 3/37800 530.0 3.731 4.849 4.544 0.000 0.000 -0.000 3/37800 540.0 3.658 4.751 4.453 0.000 0.000 -0.000 3/37800 550.0 3.588 4.656 4.366 0.000 0.000 -0.000 3/37800 560.0 3.520 4.566 4.282 0.000 0.000 -0.000 3/37800 570.0 3.455 4.479 4.201 0.000 0.000 -0.000 3/37800 580.0 3.392 4.396 4.124 0.000 0.000 -0.000 3/37800 590.0 3.332 4.315 4.049 0.000 0.000 -0.000 3/37800 600.0 3.274 4.238 3.977 0.000 0.000 -0.000 3/37800 610.0 3.217 4.163 3.908 0.000 0.000 -0.000 3/37800 620.0 3.163 4.092 3.841 0.000 0.000 -0.000 3/37800 630.0 3.111 4.022 3.777 0.000 0.000 -0.000 3/37800 640.0 3.060 3.955 3.715 0.000 0.000 -0.000 3/37800 650.0 3.011 3.891 3.654 0.000 0.000 -0.000 3/37800 660.0 2.964 3.828 3.596 0.000 0.000 -0.000 3/37800 670.0 2.918 3.768 3.540 0.000 0.000 -0.000 3/37800 680.0 2.874 3.709 3.485 0.000 0.000 -0.000 3/37800 690.0 2.830 3.652 3.432 0.000 0.000 -0.000 3/37800 700.0 2.789 3.597 3.381 0.000 0.000 -0.000 3/37800 710.0 2.748 3.544 3.331 0.000 0.000 -0.000 3/37800 720.0 2.709 3.492 3.283 0.000 0.000 -0.000 3/37800 730.0 2.671 3.442 3.236 0.000 0.000 -0.000 3/37800 740.0 2.633 3.393 3.191 0.000 0.000 -0.000 3/37800 750.0 2.597 3.346 3.147 0.000 0.000 -0.000 3/37800 760.0 2.562 3.300 3.104 0.000 0.000 -0.000 3/37800 770.0 2.528 3.255 3.062 0.000 0.000 -0.000 3/37800 780.0 2.495 3.212 3.021 0.000 0.000 -0.000 3/37800 790.0 2.462 3.169 2.982 0.000 0.000 -0.000 3/37800 800.0 2.431 3.128 2.943 0.000 0.000 -0.000 3/37800 810.0 2.400 3.088 2.905 0.000 0.000 -0.000 3/37800 820.0 2.370 3.049 2.869 0.000 0.000 -0.000 3/37800 830.0 2.341 3.011 2.833 0.000 0.000 -0.000 3/37800 840.0 2.313 2.974 2.798 0.000 0.000 -0.000 3/37800 850.0 2.285 2.937 2.765 0.000 0.000 -0.000 3/37800 860.0 2.258 2.902 2.732 0.000 0.000 -0.000 3/37800 870.0 2.231 2.868 2.699 0.000 0.000 -0.000 3/37800 880.0 2.205 2.834 2.668 0.000 0.000 -0.000 3/37800 890.0 2.180 2.801 2.637 0.000 0.000 -0.000 3/37800 900.0 2.155 2.769 2.607 0.000 0.000 -0.000 3/37800 910.0 2.131 2.738 2.577 0.000 0.000 -0.000 3/37800 920.0 2.108 2.707 2.549 0.000 0.000 -0.000 3/37800 930.0 2.085 2.677 2.521 0.000 0.000 -0.000 3/37800 940.0 2.062 2.648 2.493 0.000 0.000 -0.000 3/37800 950.0 2.040 2.619 2.466 0.000 0.000 -0.000 3/37800 960.0 2.018 2.591 2.440 0.000 0.000 -0.000 3/37800 970.0 1.997 2.564 2.414 0.000 0.000 -0.000 3/37800 980.0 1.977 2.537 2.389 0.000 0.000 -0.000 3/37800 990.0 1.956 2.510 2.365 0.000 0.000 -0.000 3/37800 1000.0 1.936 2.485 2.340 0.000 0.000 -0.000 3/37800 Thermal conductivity related properties were written into "kappa-m9710.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:48:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|