----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:47:04]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.788115050000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.088085380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.219040650000000 Atomic positions (fractional): *1 B 0.91667509057330 0.25000000000000 0.73967747117911 10.811 2 B 0.08332490942670 0.75000000000000 0.26032252882089 10.811 3 B 0.41667509057330 0.25000000000000 0.76032252882089 10.811 4 B 0.58332490942670 0.75000000000000 0.23967747117911 10.811 *5 O 0.59703954966573 0.75000000000000 0.07266925034850 15.999 6 O 0.40296045033427 0.25000000000000 0.92733074965150 15.999 7 O 0.09703954966573 0.75000000000000 0.42733074965151 15.999 8 O 0.90296045033427 0.25000000000000 0.57266925034850 15.999 *9 O 0.58806145103889 0.51603119317199 0.32461592310575 15.999 10 O 0.41193854896111 0.01603119317199 0.67538407689425 15.999 11 O 0.08806145103889 0.98396880682801 0.17538407689425 15.999 12 O 0.91193854896111 0.48396880682801 0.82461592310575 15.999 13 O 0.41193854896111 0.48396880682801 0.67538407689425 15.999 14 O 0.58806145103889 0.98396880682801 0.32461592310575 15.999 15 O 0.91193854896111 0.01603119317199 0.82461592310575 15.999 16 O 0.08806145103889 0.51603119317199 0.17538407689425 15.999 *17 La 0.75645036605084 0.25000000000000 0.08453661470596 138.905 18 La 0.24354963394916 0.75000000000000 0.91546338529404 138.905 19 La 0.25645036605084 0.25000000000000 0.41546338529404 138.905 20 La 0.74354963394916 0.75000000000000 0.58453661470596 138.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.788115050000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.088085380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.219040650000000 Atomic positions (fractional): *1 B 0.91667509057330 0.25000000000000 0.73967747117911 10.811 > 1 2 B 0.08332490942670 0.75000000000000 0.26032252882089 10.811 > 2 3 B 0.41667509057330 0.25000000000000 0.76032252882089 10.811 > 3 4 B 0.58332490942670 0.75000000000000 0.23967747117911 10.811 > 4 *5 O 0.59703954966573 0.75000000000000 0.07266925034850 15.999 > 5 6 O 0.40296045033427 0.25000000000000 0.92733074965150 15.999 > 6 7 O 0.09703954966573 0.75000000000000 0.42733074965151 15.999 > 7 8 O 0.90296045033427 0.25000000000000 0.57266925034850 15.999 > 8 *9 O 0.58806145103889 0.51603119317199 0.32461592310575 15.999 > 9 10 O 0.41193854896111 0.01603119317199 0.67538407689425 15.999 > 10 11 O 0.08806145103889 0.98396880682801 0.17538407689425 15.999 > 11 12 O 0.91193854896111 0.48396880682801 0.82461592310575 15.999 > 12 13 O 0.41193854896111 0.48396880682801 0.67538407689425 15.999 > 13 14 O 0.58806145103889 0.98396880682801 0.32461592310575 15.999 > 14 15 O 0.91193854896111 0.01603119317199 0.82461592310575 15.999 > 15 16 O 0.08806145103889 0.51603119317199 0.17538407689425 15.999 > 16 *17 La 0.75645036605084 0.25000000000000 0.08453661470596 138.905 > 17 18 La 0.24354963394916 0.75000000000000 0.91546338529404 138.905 > 18 19 La 0.25645036605084 0.25000000000000 0.41546338529404 138.905 > 19 20 La 0.74354963394916 0.75000000000000 0.58453661470596 138.905 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.576230100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.176170760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.219040650000000 Atomic positions (fractional): *1 B 0.45833754528665 0.12500000000000 0.73967747117911 10.811 > 1 2 B 0.95833754528665 0.12500000000000 0.73967747117911 10.811 > 1 3 B 0.45833754528665 0.62500000000000 0.73967747117911 10.811 > 1 4 B 0.95833754528665 0.62500000000000 0.73967747117911 10.811 > 1 5 B 0.04166245471335 0.37500000000000 0.26032252882089 10.811 > 2 6 B 0.54166245471335 0.37500000000000 0.26032252882089 10.811 > 2 7 B 0.04166245471335 0.87500000000000 0.26032252882089 10.811 > 2 8 B 0.54166245471335 0.87500000000000 0.26032252882089 10.811 > 2 9 B 0.20833754528665 0.12500000000000 0.76032252882089 10.811 > 3 10 B 0.70833754528665 0.12500000000000 0.76032252882089 10.811 > 3 11 B 0.20833754528665 0.62500000000000 0.76032252882089 10.811 > 3 12 B 0.70833754528665 0.62500000000000 0.76032252882089 10.811 > 3 13 B 0.29166245471335 0.37500000000000 0.23967747117911 10.811 > 4 14 B 0.79166245471335 0.37500000000000 0.23967747117911 10.811 > 4 15 B 0.29166245471335 0.87500000000000 0.23967747117911 10.811 > 4 16 B 0.79166245471335 0.87500000000000 0.23967747117911 10.811 > 4 *17 O 0.29851977483287 0.37500000000000 0.07266925034850 15.999 > 5 18 O 0.79851977483286 0.37500000000000 0.07266925034850 15.999 > 5 19 O 0.29851977483287 0.87500000000000 0.07266925034850 15.999 > 5 20 O 0.79851977483286 0.87500000000000 0.07266925034850 15.999 > 5 21 O 0.20148022516714 0.12500000000000 0.92733074965150 15.999 > 6 22 O 0.70148022516714 0.12500000000000 0.92733074965150 15.999 > 6 23 O 0.20148022516714 0.62500000000000 0.92733074965150 15.999 > 6 24 O 0.70148022516714 0.62500000000000 0.92733074965150 15.999 > 6 25 O 0.04851977483287 0.37500000000000 0.42733074965151 15.999 > 7 26 O 0.54851977483286 0.37500000000000 0.42733074965151 15.999 > 7 27 O 0.04851977483287 0.87500000000000 0.42733074965151 15.999 > 7 28 O 0.54851977483286 0.87500000000000 0.42733074965151 15.999 > 7 29 O 0.45148022516713 0.12500000000000 0.57266925034850 15.999 > 8 30 O 0.95148022516714 0.12500000000000 0.57266925034850 15.999 > 8 31 O 0.45148022516713 0.62500000000000 0.57266925034850 15.999 > 8 32 O 0.95148022516714 0.62500000000000 0.57266925034850 15.999 > 8 *33 O 0.29403072551944 0.25801559658600 0.32461592310575 15.999 > 9 34 O 0.79403072551944 0.25801559658600 0.32461592310575 15.999 > 9 35 O 0.29403072551944 0.75801559658600 0.32461592310575 15.999 > 9 36 O 0.79403072551944 0.75801559658600 0.32461592310575 15.999 > 9 37 O 0.20596927448056 0.00801559658600 0.67538407689425 15.999 > 10 38 O 0.70596927448056 0.00801559658600 0.67538407689425 15.999 > 10 39 O 0.20596927448056 0.50801559658600 0.67538407689425 15.999 > 10 40 O 0.70596927448056 0.50801559658600 0.67538407689425 15.999 > 10 41 O 0.04403072551944 0.49198440341400 0.17538407689425 15.999 > 11 42 O 0.54403072551944 0.49198440341400 0.17538407689425 15.999 > 11 43 O 0.04403072551944 0.99198440341400 0.17538407689425 15.999 > 11 44 O 0.54403072551944 0.99198440341400 0.17538407689425 15.999 > 11 45 O 0.45596927448056 0.24198440341400 0.82461592310575 15.999 > 12 46 O 0.95596927448056 0.24198440341400 0.82461592310575 15.999 > 12 47 O 0.45596927448056 0.74198440341400 0.82461592310575 15.999 > 12 48 O 0.95596927448056 0.74198440341400 0.82461592310575 15.999 > 12 49 O 0.20596927448056 0.24198440341400 0.67538407689425 15.999 > 13 50 O 0.70596927448056 0.24198440341400 0.67538407689425 15.999 > 13 51 O 0.20596927448056 0.74198440341400 0.67538407689425 15.999 > 13 52 O 0.70596927448056 0.74198440341400 0.67538407689425 15.999 > 13 53 O 0.29403072551944 0.49198440341400 0.32461592310575 15.999 > 14 54 O 0.79403072551944 0.49198440341400 0.32461592310575 15.999 > 14 55 O 0.29403072551944 0.99198440341400 0.32461592310575 15.999 > 14 56 O 0.79403072551944 0.99198440341400 0.32461592310575 15.999 > 14 57 O 0.45596927448056 0.00801559658600 0.82461592310575 15.999 > 15 58 O 0.95596927448056 0.00801559658600 0.82461592310575 15.999 > 15 59 O 0.45596927448056 0.50801559658600 0.82461592310575 15.999 > 15 60 O 0.95596927448056 0.50801559658600 0.82461592310575 15.999 > 15 61 O 0.04403072551944 0.25801559658600 0.17538407689425 15.999 > 16 62 O 0.54403072551944 0.25801559658600 0.17538407689425 15.999 > 16 63 O 0.04403072551944 0.75801559658600 0.17538407689425 15.999 > 16 64 O 0.54403072551944 0.75801559658600 0.17538407689425 15.999 > 16 *65 La 0.37822518302542 0.12500000000000 0.08453661470596 138.905 > 17 66 La 0.87822518302542 0.12500000000000 0.08453661470596 138.905 > 17 67 La 0.37822518302542 0.62500000000000 0.08453661470596 138.905 > 17 68 La 0.87822518302542 0.62500000000000 0.08453661470596 138.905 > 17 69 La 0.12177481697458 0.37500000000000 0.91546338529404 138.905 > 18 70 La 0.62177481697458 0.37500000000000 0.91546338529404 138.905 > 18 71 La 0.12177481697458 0.87500000000000 0.91546338529404 138.905 > 18 72 La 0.62177481697458 0.87500000000000 0.91546338529404 138.905 > 18 73 La 0.12822518302542 0.12500000000000 0.41546338529404 138.905 > 19 74 La 0.62822518302542 0.12500000000000 0.41546338529404 138.905 > 19 75 La 0.12822518302542 0.62500000000000 0.41546338529404 138.905 > 19 76 La 0.62822518302542 0.62500000000000 0.41546338529404 138.905 > 19 77 La 0.37177481697458 0.37500000000000 0.58453661470596 138.905 > 20 78 La 0.87177481697458 0.37500000000000 0.58453661470596 138.905 > 20 79 La 0.37177481697458 0.87500000000000 0.58453661470596 138.905 > 20 80 La 0.87177481697458 0.87500000000000 0.58453661470596 138.905 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6101425 0.0000000 0.0000000 0.0000000 4.0510824 0.0000000 0.0000000 0.0000000 4.0292667 -------------------------- Born effective charges -------------------------- 1 B 0.6806794 0.0000000 -0.0479423 0.0000000 2.6249695 0.0000000 0.0205043 0.0000000 2.6443123 2 B 0.6806794 0.0000000 -0.0479423 0.0000000 2.6249695 0.0000000 0.0205043 0.0000000 2.6443123 3 B 0.6806794 0.0000000 0.0479423 0.0000000 2.6249695 0.0000000 -0.0205043 0.0000000 2.6443123 4 B 0.6806794 0.0000000 0.0479423 0.0000000 2.6249695 0.0000000 -0.0205043 0.0000000 2.6443123 5 O -1.6564377 0.0000000 -0.3561492 0.0000000 -1.9448835 0.0000000 -0.4709649 0.0000000 -2.4649185 6 O -1.6564377 0.0000000 -0.3561492 0.0000000 -1.9448835 0.0000000 -0.4709649 0.0000000 -2.4649185 7 O -1.6564377 0.0000000 0.3561492 0.0000000 -1.9448835 0.0000000 0.4709649 0.0000000 -2.4649185 8 O -1.6564377 0.0000000 0.3561492 0.0000000 -1.9448835 0.0000000 0.4709649 0.0000000 -2.4649185 9 O -1.5915581 -0.2372534 0.1290359 -0.3705870 -2.4470897 0.1195358 0.2304612 0.1636381 -2.1906771 10 O -1.5915581 0.2372534 0.1290359 0.3705870 -2.4470897 -0.1195358 0.2304612 -0.1636381 -2.1906771 11 O -1.5915581 0.2372534 -0.1290359 0.3705870 -2.4470897 0.1195358 -0.2304612 0.1636381 -2.1906771 12 O -1.5915581 -0.2372534 -0.1290359 -0.3705870 -2.4470897 -0.1195358 -0.2304612 -0.1636381 -2.1906771 13 O -1.5915581 -0.2372534 0.1290359 -0.3705870 -2.4470897 0.1195358 0.2304612 0.1636381 -2.1906771 14 O -1.5915581 0.2372534 0.1290359 0.3705870 -2.4470897 -0.1195358 0.2304612 -0.1636381 -2.1906771 15 O -1.5915581 0.2372534 -0.1290359 0.3705870 -2.4470897 0.1195358 -0.2304612 0.1636381 -2.1906771 16 O -1.5915581 -0.2372534 -0.1290359 -0.3705870 -2.4470897 -0.1195358 -0.2304612 -0.1636381 -2.1906771 17 La 4.1588745 0.0000000 -0.1415133 0.0000000 4.2140934 0.0000000 0.2105896 0.0000000 4.2019605 18 La 4.1588745 0.0000000 -0.1415133 0.0000000 4.2140934 0.0000000 0.2105896 0.0000000 4.2019605 19 La 4.1588745 0.0000000 0.1415133 0.0000000 4.2140934 0.0000000 -0.2105896 0.0000000 4.2019605 20 La 4.1588745 0.0000000 0.1415133 0.0000000 4.2140934 0.0000000 -0.2105896 0.0000000 4.2019605 ---------------------------------------------------------------------------- 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: 978 Number of blocks in projector: 978 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: 164 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 164 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: - (978, 954), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (164, 162), data: True |-- (164, 162), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.736 Solver_block: 200 / 320 - Time: 0.726 Solver_block: 300 / 320 - Time: 0.728 Solver_block: 320 / 320 - Time: 0.187 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.394 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 978 Number of blocks in projector: 978 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: 164 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 164 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: - (978, 954), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (164, 162), data: True |-- (164, 162), 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 2026-01-07 22:47:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:47:17]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.788115050000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.088085380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.219040650000000 Atomic positions (fractional): 1 B 0.91667509057330 0.25000000000000 0.73967747117911 10.811 2 B 0.08332490942670 0.75000000000000 0.26032252882089 10.811 3 B 0.41667509057330 0.25000000000000 0.76032252882089 10.811 4 B 0.58332490942670 0.75000000000000 0.23967747117911 10.811 5 O 0.59703954966573 0.75000000000000 0.07266925034850 15.999 6 O 0.40296045033427 0.25000000000000 0.92733074965150 15.999 7 O 0.09703954966573 0.75000000000000 0.42733074965151 15.999 8 O 0.90296045033427 0.25000000000000 0.57266925034850 15.999 9 O 0.58806145103889 0.51603119317199 0.32461592310575 15.999 10 O 0.41193854896111 0.01603119317199 0.67538407689425 15.999 11 O 0.08806145103889 0.98396880682801 0.17538407689425 15.999 12 O 0.91193854896111 0.48396880682801 0.82461592310575 15.999 13 O 0.41193854896111 0.48396880682801 0.67538407689425 15.999 14 O 0.58806145103889 0.98396880682801 0.32461592310575 15.999 15 O 0.91193854896111 0.01603119317199 0.82461592310575 15.999 16 O 0.08806145103889 0.51603119317199 0.17538407689425 15.999 17 La 0.75645036605084 0.25000000000000 0.08453661470596 138.905 18 La 0.24354963394916 0.75000000000000 0.91546338529404 138.905 19 La 0.25645036605084 0.25000000000000 0.41546338529404 138.905 20 La 0.74354963394916 0.75000000000000 0.58453661470596 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.576230100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.176170760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.219040650000000 Atomic positions (fractional): 1 B 0.45833754528665 0.12500000000000 0.73967747117911 10.811 > 1 2 B 0.95833754528665 0.12500000000000 0.73967747117911 10.811 > 1 3 B 0.45833754528665 0.62500000000000 0.73967747117911 10.811 > 1 4 B 0.95833754528665 0.62500000000000 0.73967747117911 10.811 > 1 5 B 0.04166245471335 0.37500000000000 0.26032252882089 10.811 > 5 6 B 0.54166245471335 0.37500000000000 0.26032252882089 10.811 > 5 7 B 0.04166245471335 0.87500000000000 0.26032252882089 10.811 > 5 8 B 0.54166245471335 0.87500000000000 0.26032252882089 10.811 > 5 9 B 0.20833754528665 0.12500000000000 0.76032252882089 10.811 > 9 10 B 0.70833754528665 0.12500000000000 0.76032252882089 10.811 > 9 11 B 0.20833754528665 0.62500000000000 0.76032252882089 10.811 > 9 12 B 0.70833754528665 0.62500000000000 0.76032252882089 10.811 > 9 13 B 0.29166245471335 0.37500000000000 0.23967747117911 10.811 > 13 14 B 0.79166245471335 0.37500000000000 0.23967747117911 10.811 > 13 15 B 0.29166245471335 0.87500000000000 0.23967747117911 10.811 > 13 16 B 0.79166245471335 0.87500000000000 0.23967747117911 10.811 > 13 17 O 0.29851977483287 0.37500000000000 0.07266925034850 15.999 > 17 18 O 0.79851977483286 0.37500000000000 0.07266925034850 15.999 > 17 19 O 0.29851977483287 0.87500000000000 0.07266925034850 15.999 > 17 20 O 0.79851977483286 0.87500000000000 0.07266925034850 15.999 > 17 21 O 0.20148022516714 0.12500000000000 0.92733074965150 15.999 > 21 22 O 0.70148022516714 0.12500000000000 0.92733074965150 15.999 > 21 23 O 0.20148022516714 0.62500000000000 0.92733074965150 15.999 > 21 24 O 0.70148022516714 0.62500000000000 0.92733074965150 15.999 > 21 25 O 0.04851977483287 0.37500000000000 0.42733074965151 15.999 > 25 26 O 0.54851977483286 0.37500000000000 0.42733074965151 15.999 > 25 27 O 0.04851977483287 0.87500000000000 0.42733074965151 15.999 > 25 28 O 0.54851977483286 0.87500000000000 0.42733074965151 15.999 > 25 29 O 0.45148022516713 0.12500000000000 0.57266925034850 15.999 > 29 30 O 0.95148022516714 0.12500000000000 0.57266925034850 15.999 > 29 31 O 0.45148022516713 0.62500000000000 0.57266925034850 15.999 > 29 32 O 0.95148022516714 0.62500000000000 0.57266925034850 15.999 > 29 33 O 0.29403072551944 0.25801559658600 0.32461592310575 15.999 > 33 34 O 0.79403072551944 0.25801559658600 0.32461592310575 15.999 > 33 35 O 0.29403072551944 0.75801559658600 0.32461592310575 15.999 > 33 36 O 0.79403072551944 0.75801559658600 0.32461592310575 15.999 > 33 37 O 0.20596927448056 0.00801559658600 0.67538407689425 15.999 > 37 38 O 0.70596927448056 0.00801559658600 0.67538407689425 15.999 > 37 39 O 0.20596927448056 0.50801559658600 0.67538407689425 15.999 > 37 40 O 0.70596927448056 0.50801559658600 0.67538407689425 15.999 > 37 41 O 0.04403072551944 0.49198440341400 0.17538407689425 15.999 > 41 42 O 0.54403072551944 0.49198440341400 0.17538407689425 15.999 > 41 43 O 0.04403072551944 0.99198440341400 0.17538407689425 15.999 > 41 44 O 0.54403072551944 0.99198440341400 0.17538407689425 15.999 > 41 45 O 0.45596927448056 0.24198440341400 0.82461592310575 15.999 > 45 46 O 0.95596927448056 0.24198440341400 0.82461592310575 15.999 > 45 47 O 0.45596927448056 0.74198440341400 0.82461592310575 15.999 > 45 48 O 0.95596927448056 0.74198440341400 0.82461592310575 15.999 > 45 49 O 0.20596927448056 0.24198440341400 0.67538407689425 15.999 > 49 50 O 0.70596927448056 0.24198440341400 0.67538407689425 15.999 > 49 51 O 0.20596927448056 0.74198440341400 0.67538407689425 15.999 > 49 52 O 0.70596927448056 0.74198440341400 0.67538407689425 15.999 > 49 53 O 0.29403072551944 0.49198440341400 0.32461592310575 15.999 > 53 54 O 0.79403072551944 0.49198440341400 0.32461592310575 15.999 > 53 55 O 0.29403072551944 0.99198440341400 0.32461592310575 15.999 > 53 56 O 0.79403072551944 0.99198440341400 0.32461592310575 15.999 > 53 57 O 0.45596927448056 0.00801559658600 0.82461592310575 15.999 > 57 58 O 0.95596927448056 0.00801559658600 0.82461592310575 15.999 > 57 59 O 0.45596927448056 0.50801559658600 0.82461592310575 15.999 > 57 60 O 0.95596927448056 0.50801559658600 0.82461592310575 15.999 > 57 61 O 0.04403072551944 0.25801559658600 0.17538407689425 15.999 > 61 62 O 0.54403072551944 0.25801559658600 0.17538407689425 15.999 > 61 63 O 0.04403072551944 0.75801559658600 0.17538407689425 15.999 > 61 64 O 0.54403072551944 0.75801559658600 0.17538407689425 15.999 > 61 65 La 0.37822518302542 0.12500000000000 0.08453661470596 138.905 > 65 66 La 0.87822518302542 0.12500000000000 0.08453661470596 138.905 > 65 67 La 0.37822518302542 0.62500000000000 0.08453661470596 138.905 > 65 68 La 0.87822518302542 0.62500000000000 0.08453661470596 138.905 > 65 69 La 0.12177481697458 0.37500000000000 0.91546338529404 138.905 > 69 70 La 0.62177481697458 0.37500000000000 0.91546338529404 138.905 > 69 71 La 0.12177481697458 0.87500000000000 0.91546338529404 138.905 > 69 72 La 0.62177481697458 0.87500000000000 0.91546338529404 138.905 > 69 73 La 0.12822518302542 0.12500000000000 0.41546338529404 138.905 > 73 74 La 0.62822518302542 0.12500000000000 0.41546338529404 138.905 > 73 75 La 0.12822518302542 0.62500000000000 0.41546338529404 138.905 > 73 76 La 0.62822518302542 0.62500000000000 0.41546338529404 138.905 > 73 77 La 0.37177481697458 0.37500000000000 0.58453661470596 138.905 > 77 78 La 0.87177481697458 0.37500000000000 0.58453661470596 138.905 > 77 79 La 0.37177481697458 0.87500000000000 0.58453661470596 138.905 > 77 80 La 0.87177481697458 0.87500000000000 0.58453661470596 138.905 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6101425 0.0000000 0.0000000 0.0000000 4.0510824 0.0000000 0.0000000 0.0000000 4.0292667 -------------------------- Born effective charges -------------------------- 1 B 0.6806794 0.0000000 -0.0479423 0.0000000 2.6249695 0.0000000 0.0205043 0.0000000 2.6443123 2 B 0.6806794 0.0000000 -0.0479423 0.0000000 2.6249695 0.0000000 0.0205043 0.0000000 2.6443123 3 B 0.6806794 0.0000000 0.0479423 0.0000000 2.6249695 0.0000000 -0.0205043 0.0000000 2.6443123 4 B 0.6806794 0.0000000 0.0479423 0.0000000 2.6249695 0.0000000 -0.0205043 0.0000000 2.6443123 5 O -1.6564377 0.0000000 -0.3561492 0.0000000 -1.9448835 0.0000000 -0.4709649 0.0000000 -2.4649185 6 O -1.6564377 0.0000000 -0.3561492 0.0000000 -1.9448835 0.0000000 -0.4709649 0.0000000 -2.4649185 7 O -1.6564377 0.0000000 0.3561492 0.0000000 -1.9448835 0.0000000 0.4709649 0.0000000 -2.4649185 8 O -1.6564377 0.0000000 0.3561492 0.0000000 -1.9448835 0.0000000 0.4709649 0.0000000 -2.4649185 9 O -1.5915581 -0.2372534 0.1290359 -0.3705870 -2.4470897 0.1195358 0.2304612 0.1636381 -2.1906771 10 O -1.5915581 0.2372534 0.1290359 0.3705870 -2.4470897 -0.1195358 0.2304612 -0.1636381 -2.1906771 11 O -1.5915581 0.2372534 -0.1290359 0.3705870 -2.4470897 0.1195358 -0.2304612 0.1636381 -2.1906771 12 O -1.5915581 -0.2372534 -0.1290359 -0.3705870 -2.4470897 -0.1195358 -0.2304612 -0.1636381 -2.1906771 13 O -1.5915581 -0.2372534 0.1290359 -0.3705870 -2.4470897 0.1195358 0.2304612 0.1636381 -2.1906771 14 O -1.5915581 0.2372534 0.1290359 0.3705870 -2.4470897 -0.1195358 0.2304612 -0.1636381 -2.1906771 15 O -1.5915581 0.2372534 -0.1290359 0.3705870 -2.4470897 0.1195358 -0.2304612 0.1636381 -2.1906771 16 O -1.5915581 -0.2372534 -0.1290359 -0.3705870 -2.4470897 -0.1195358 -0.2304612 -0.1636381 -2.1906771 17 La 4.1588745 0.0000000 -0.1415133 0.0000000 4.2140934 0.0000000 0.2105896 0.0000000 4.2019605 18 La 4.1588745 0.0000000 -0.1415133 0.0000000 4.2140934 0.0000000 0.2105896 0.0000000 4.2019605 19 La 4.1588745 0.0000000 0.1415133 0.0000000 4.2140934 0.0000000 -0.2105896 0.0000000 4.2019605 20 La 4.1588745 0.0000000 0.1415133 0.0000000 4.2140934 0.0000000 -0.2105896 0.0000000 4.2019605 ---------------------------------------------------------------------------- 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000029 (yzy) -0.00000029 (yzy) -0.00000029 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xz) -0.00000002 (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 2026-01-07 22:47:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:47:26]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.788115050000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.088085380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.219040650000000 Atomic positions (fractional): 1 B 0.91667509057330 0.25000000000000 0.73967747117911 10.811 2 B 0.08332490942670 0.75000000000000 0.26032252882089 10.811 3 B 0.41667509057330 0.25000000000000 0.76032252882089 10.811 4 B 0.58332490942670 0.75000000000000 0.23967747117911 10.811 5 O 0.59703954966573 0.75000000000000 0.07266925034850 15.999 6 O 0.40296045033427 0.25000000000000 0.92733074965150 15.999 7 O 0.09703954966573 0.75000000000000 0.42733074965151 15.999 8 O 0.90296045033427 0.25000000000000 0.57266925034850 15.999 9 O 0.58806145103889 0.51603119317199 0.32461592310575 15.999 10 O 0.41193854896111 0.01603119317199 0.67538407689425 15.999 11 O 0.08806145103889 0.98396880682801 0.17538407689425 15.999 12 O 0.91193854896111 0.48396880682801 0.82461592310575 15.999 13 O 0.41193854896111 0.48396880682801 0.67538407689425 15.999 14 O 0.58806145103889 0.98396880682801 0.32461592310575 15.999 15 O 0.91193854896111 0.01603119317199 0.82461592310575 15.999 16 O 0.08806145103889 0.51603119317199 0.17538407689425 15.999 17 La 0.75645036605084 0.25000000000000 0.08453661470596 138.905 18 La 0.24354963394916 0.75000000000000 0.91546338529404 138.905 19 La 0.25645036605084 0.25000000000000 0.41546338529404 138.905 20 La 0.74354963394916 0.75000000000000 0.58453661470596 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.576230100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.176170760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.219040650000000 Atomic positions (fractional): 1 B 0.45833754528665 0.12500000000000 0.73967747117911 10.811 > 1 2 B 0.95833754528665 0.12500000000000 0.73967747117911 10.811 > 1 3 B 0.45833754528665 0.62500000000000 0.73967747117911 10.811 > 1 4 B 0.95833754528665 0.62500000000000 0.73967747117911 10.811 > 1 5 B 0.04166245471335 0.37500000000000 0.26032252882089 10.811 > 5 6 B 0.54166245471335 0.37500000000000 0.26032252882089 10.811 > 5 7 B 0.04166245471335 0.87500000000000 0.26032252882089 10.811 > 5 8 B 0.54166245471335 0.87500000000000 0.26032252882089 10.811 > 5 9 B 0.20833754528665 0.12500000000000 0.76032252882089 10.811 > 9 10 B 0.70833754528665 0.12500000000000 0.76032252882089 10.811 > 9 11 B 0.20833754528665 0.62500000000000 0.76032252882089 10.811 > 9 12 B 0.70833754528665 0.62500000000000 0.76032252882089 10.811 > 9 13 B 0.29166245471335 0.37500000000000 0.23967747117911 10.811 > 13 14 B 0.79166245471335 0.37500000000000 0.23967747117911 10.811 > 13 15 B 0.29166245471335 0.87500000000000 0.23967747117911 10.811 > 13 16 B 0.79166245471335 0.87500000000000 0.23967747117911 10.811 > 13 17 O 0.29851977483287 0.37500000000000 0.07266925034850 15.999 > 17 18 O 0.79851977483286 0.37500000000000 0.07266925034850 15.999 > 17 19 O 0.29851977483287 0.87500000000000 0.07266925034850 15.999 > 17 20 O 0.79851977483286 0.87500000000000 0.07266925034850 15.999 > 17 21 O 0.20148022516714 0.12500000000000 0.92733074965150 15.999 > 21 22 O 0.70148022516714 0.12500000000000 0.92733074965150 15.999 > 21 23 O 0.20148022516714 0.62500000000000 0.92733074965150 15.999 > 21 24 O 0.70148022516714 0.62500000000000 0.92733074965150 15.999 > 21 25 O 0.04851977483287 0.37500000000000 0.42733074965151 15.999 > 25 26 O 0.54851977483286 0.37500000000000 0.42733074965151 15.999 > 25 27 O 0.04851977483287 0.87500000000000 0.42733074965151 15.999 > 25 28 O 0.54851977483286 0.87500000000000 0.42733074965151 15.999 > 25 29 O 0.45148022516713 0.12500000000000 0.57266925034850 15.999 > 29 30 O 0.95148022516714 0.12500000000000 0.57266925034850 15.999 > 29 31 O 0.45148022516713 0.62500000000000 0.57266925034850 15.999 > 29 32 O 0.95148022516714 0.62500000000000 0.57266925034850 15.999 > 29 33 O 0.29403072551944 0.25801559658600 0.32461592310575 15.999 > 33 34 O 0.79403072551944 0.25801559658600 0.32461592310575 15.999 > 33 35 O 0.29403072551944 0.75801559658600 0.32461592310575 15.999 > 33 36 O 0.79403072551944 0.75801559658600 0.32461592310575 15.999 > 33 37 O 0.20596927448056 0.00801559658600 0.67538407689425 15.999 > 37 38 O 0.70596927448056 0.00801559658600 0.67538407689425 15.999 > 37 39 O 0.20596927448056 0.50801559658600 0.67538407689425 15.999 > 37 40 O 0.70596927448056 0.50801559658600 0.67538407689425 15.999 > 37 41 O 0.04403072551944 0.49198440341400 0.17538407689425 15.999 > 41 42 O 0.54403072551944 0.49198440341400 0.17538407689425 15.999 > 41 43 O 0.04403072551944 0.99198440341400 0.17538407689425 15.999 > 41 44 O 0.54403072551944 0.99198440341400 0.17538407689425 15.999 > 41 45 O 0.45596927448056 0.24198440341400 0.82461592310575 15.999 > 45 46 O 0.95596927448056 0.24198440341400 0.82461592310575 15.999 > 45 47 O 0.45596927448056 0.74198440341400 0.82461592310575 15.999 > 45 48 O 0.95596927448056 0.74198440341400 0.82461592310575 15.999 > 45 49 O 0.20596927448056 0.24198440341400 0.67538407689425 15.999 > 49 50 O 0.70596927448056 0.24198440341400 0.67538407689425 15.999 > 49 51 O 0.20596927448056 0.74198440341400 0.67538407689425 15.999 > 49 52 O 0.70596927448056 0.74198440341400 0.67538407689425 15.999 > 49 53 O 0.29403072551944 0.49198440341400 0.32461592310575 15.999 > 53 54 O 0.79403072551944 0.49198440341400 0.32461592310575 15.999 > 53 55 O 0.29403072551944 0.99198440341400 0.32461592310575 15.999 > 53 56 O 0.79403072551944 0.99198440341400 0.32461592310575 15.999 > 53 57 O 0.45596927448056 0.00801559658600 0.82461592310575 15.999 > 57 58 O 0.95596927448056 0.00801559658600 0.82461592310575 15.999 > 57 59 O 0.45596927448056 0.50801559658600 0.82461592310575 15.999 > 57 60 O 0.95596927448056 0.50801559658600 0.82461592310575 15.999 > 57 61 O 0.04403072551944 0.25801559658600 0.17538407689425 15.999 > 61 62 O 0.54403072551944 0.25801559658600 0.17538407689425 15.999 > 61 63 O 0.04403072551944 0.75801559658600 0.17538407689425 15.999 > 61 64 O 0.54403072551944 0.75801559658600 0.17538407689425 15.999 > 61 65 La 0.37822518302542 0.12500000000000 0.08453661470596 138.905 > 65 66 La 0.87822518302542 0.12500000000000 0.08453661470596 138.905 > 65 67 La 0.37822518302542 0.62500000000000 0.08453661470596 138.905 > 65 68 La 0.87822518302542 0.62500000000000 0.08453661470596 138.905 > 65 69 La 0.12177481697458 0.37500000000000 0.91546338529404 138.905 > 69 70 La 0.62177481697458 0.37500000000000 0.91546338529404 138.905 > 69 71 La 0.12177481697458 0.87500000000000 0.91546338529404 138.905 > 69 72 La 0.62177481697458 0.87500000000000 0.91546338529404 138.905 > 69 73 La 0.12822518302542 0.12500000000000 0.41546338529404 138.905 > 73 74 La 0.62822518302542 0.12500000000000 0.41546338529404 138.905 > 73 75 La 0.12822518302542 0.62500000000000 0.41546338529404 138.905 > 73 76 La 0.62822518302542 0.62500000000000 0.41546338529404 138.905 > 73 77 La 0.37177481697458 0.37500000000000 0.58453661470596 138.905 > 77 78 La 0.87177481697458 0.37500000000000 0.58453661470596 138.905 > 77 79 La 0.37177481697458 0.87500000000000 0.58453661470596 138.905 > 77 80 La 0.87177481697458 0.87500000000000 0.58453661470596 138.905 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6101425 0.0000000 0.0000000 0.0000000 4.0510824 0.0000000 0.0000000 0.0000000 4.0292667 -------------------------- Born effective charges -------------------------- 1 B 0.6806794 0.0000000 -0.0479423 0.0000000 2.6249695 0.0000000 0.0205043 0.0000000 2.6443123 2 B 0.6806794 0.0000000 -0.0479423 0.0000000 2.6249695 0.0000000 0.0205043 0.0000000 2.6443123 3 B 0.6806794 0.0000000 0.0479423 0.0000000 2.6249695 0.0000000 -0.0205043 0.0000000 2.6443123 4 B 0.6806794 0.0000000 0.0479423 0.0000000 2.6249695 0.0000000 -0.0205043 0.0000000 2.6443123 5 O -1.6564377 0.0000000 -0.3561492 0.0000000 -1.9448835 0.0000000 -0.4709649 0.0000000 -2.4649185 6 O -1.6564377 0.0000000 -0.3561492 0.0000000 -1.9448835 0.0000000 -0.4709649 0.0000000 -2.4649185 7 O -1.6564377 0.0000000 0.3561492 0.0000000 -1.9448835 0.0000000 0.4709649 0.0000000 -2.4649185 8 O -1.6564377 0.0000000 0.3561492 0.0000000 -1.9448835 0.0000000 0.4709649 0.0000000 -2.4649185 9 O -1.5915581 -0.2372534 0.1290359 -0.3705870 -2.4470897 0.1195358 0.2304612 0.1636381 -2.1906771 10 O -1.5915581 0.2372534 0.1290359 0.3705870 -2.4470897 -0.1195358 0.2304612 -0.1636381 -2.1906771 11 O -1.5915581 0.2372534 -0.1290359 0.3705870 -2.4470897 0.1195358 -0.2304612 0.1636381 -2.1906771 12 O -1.5915581 -0.2372534 -0.1290359 -0.3705870 -2.4470897 -0.1195358 -0.2304612 -0.1636381 -2.1906771 13 O -1.5915581 -0.2372534 0.1290359 -0.3705870 -2.4470897 0.1195358 0.2304612 0.1636381 -2.1906771 14 O -1.5915581 0.2372534 0.1290359 0.3705870 -2.4470897 -0.1195358 0.2304612 -0.1636381 -2.1906771 15 O -1.5915581 0.2372534 -0.1290359 0.3705870 -2.4470897 0.1195358 -0.2304612 0.1636381 -2.1906771 16 O -1.5915581 -0.2372534 -0.1290359 -0.3705870 -2.4470897 -0.1195358 -0.2304612 -0.1636381 -2.1906771 17 La 4.1588745 0.0000000 -0.1415133 0.0000000 4.2140934 0.0000000 0.2105896 0.0000000 4.2019605 18 La 4.1588745 0.0000000 -0.1415133 0.0000000 4.2140934 0.0000000 0.2105896 0.0000000 4.2019605 19 La 4.1588745 0.0000000 0.1415133 0.0000000 4.2140934 0.0000000 -0.2105896 0.0000000 4.2019605 20 La 4.1588745 0.0000000 0.1415133 0.0000000 4.2140934 0.0000000 -0.2105896 0.0000000 4.2019605 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000029 (yzy) -0.00000029 (yzy) -0.00000029 (yyz) 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 10 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.67, Number of G-points: 319, Lambda: 0.14 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: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 3.035 ( 0.000 0.000 0.000) 0.000 3.261 ( 0.000 0.000 0.000) 0.000 3.268 ( 0.000 0.000 0.000) 0.000 3.326 ( 0.000 0.000 0.000) 0.000 3.584 ( 0.000 0.000 0.000) 0.000 3.629 ( 0.000 0.000 0.000) 0.000 3.727 ( 0.000 0.000 0.000) 0.000 4.214 ( 0.000 0.000 0.000) 0.000 4.458 ( 0.000 0.000 0.000) 0.000 5.056 ( 0.000 0.000 0.000) 0.000 5.134 ( 0.000 0.000 0.000) 0.000 5.209 ( 0.000 0.000 0.000) 0.000 5.362 ( 0.000 0.000 0.000) 0.000 5.438 ( 0.000 0.000 0.000) 0.000 5.484 ( 0.000 0.000 0.000) 0.000 5.726 ( 0.000 0.000 0.000) 0.000 5.912 ( 0.000 0.000 0.000) 0.000 6.158 ( 0.000 0.000 0.000) 0.000 6.335 ( 0.000 0.000 0.000) 0.000 6.410 ( 0.000 0.000 0.000) 0.000 6.508 ( 0.000 0.000 0.000) 0.000 6.615 ( 0.000 0.000 0.000) 0.000 6.934 ( 0.000 0.000 0.000) 0.000 7.100 ( 0.000 0.000 0.000) 0.000 7.393 ( 0.000 0.000 0.000) 0.000 7.623 ( 0.000 0.000 0.000) 0.000 8.044 ( 0.000 0.000 0.000) 0.000 8.070 ( 0.000 0.000 0.000) 0.000 8.840 ( 0.000 0.000 0.000) 0.000 9.277 ( 0.000 0.000 0.000) 0.000 9.839 ( 0.000 0.000 0.000) 0.000 10.003 ( 0.000 0.000 0.000) 0.000 10.284 ( 0.000 0.000 0.000) 0.000 16.383 ( 0.000 0.000 0.000) 0.000 16.711 ( 0.000 0.000 0.000) 0.000 16.801 ( 0.000 0.000 0.000) 0.000 16.941 ( 0.000 0.000 0.000) 0.000 17.202 ( 0.000 0.000 0.000) 0.000 17.317 ( 0.000 0.000 0.000) 0.000 17.986 ( 0.000 0.000 0.000) 0.000 18.200 ( 0.000 0.000 0.000) 0.000 19.871 ( 0.000 0.000 0.000) 0.000 19.889 ( 0.000 0.000 0.000) 0.000 21.776 ( 0.000 0.000 0.000) 0.000 21.909 ( 0.000 0.000 0.000) 0.000 27.461 ( 0.000 0.000 0.000) 0.000 27.645 ( 0.000 0.000 0.000) 0.000 27.755 ( 0.000 0.000 0.000) 0.000 27.756 ( 0.000 0.000 0.000) 0.000 36.809 ( 0.000 0.000 0.000) 0.000 37.145 ( 0.000 0.000 0.000) 0.000 37.630 ( 0.000 0.000 0.000) 0.000 37.815 ( 0.000 0.000 0.000) 0.000 37.976 ( 0.000 0.000 0.000) 0.000 38.121 ( 0.000 0.000 0.000) 0.000 38.220 ( 0.000 0.000 0.000) 0.000 40.723 ( 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: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 26.860 0.000 0.000) 26.860 0.645 ( 33.206 0.000 0.000) 33.206 0.931 ( 48.272 0.000 0.000) 48.272 2.999 ( -3.604 0.000 0.000) 3.604 3.119 ( -14.278 0.000 0.000) 14.278 3.216 ( -5.366 0.000 0.000) 5.366 3.239 ( -2.096 0.000 0.000) 2.096 3.529 ( -5.717 0.000 0.000) 5.717 3.765 ( 3.638 0.000 0.000) 3.638 3.864 ( 17.415 0.000 0.000) 17.415 4.111 ( -10.331 0.000 0.000) 10.331 4.414 ( -3.957 0.000 0.000) 3.957 5.200 ( 6.054 0.000 0.000) 6.054 5.263 ( 5.629 0.000 0.000) 5.629 5.381 ( 1.870 0.000 0.000) 1.870 5.489 ( 0.406 0.000 0.000) 0.406 5.514 ( 7.118 0.000 0.000) 7.118 5.630 ( -9.964 0.000 0.000) 9.964 5.668 ( 0.202 0.000 0.000) 0.202 5.931 ( 1.775 0.000 0.000) 1.775 6.195 ( 3.922 0.000 0.000) 3.922 6.425 ( 1.884 0.000 0.000) 1.884 6.550 ( 4.285 0.000 0.000) 4.285 6.645 ( 3.077 0.000 0.000) 3.077 6.923 ( 0.741 0.000 0.000) 0.741 7.056 ( -3.469 0.000 0.000) 3.469 7.473 ( 6.793 0.000 0.000) 6.793 7.590 ( -3.407 0.000 0.000) 3.407 7.986 ( -5.979 0.000 0.000) 5.979 8.045 ( -2.304 0.000 0.000) 2.304 8.773 ( -6.996 0.000 0.000) 6.996 9.197 ( -7.831 0.000 0.000) 7.831 9.825 ( -1.371 0.000 0.000) 1.371 9.904 ( 1.063 0.000 0.000) 1.063 10.225 ( 0.389 0.000 0.000) 0.389 10.293 ( 0.820 0.000 0.000) 0.820 16.396 ( 1.288 0.000 0.000) 1.288 16.725 ( 1.460 0.000 0.000) 1.460 16.788 ( -1.339 0.000 0.000) 1.339 16.957 ( 1.637 0.000 0.000) 1.637 17.186 ( -1.618 0.000 0.000) 1.618 17.319 ( 0.079 0.000 0.000) 0.079 17.984 ( -0.098 0.000 0.000) 0.098 18.195 ( -0.887 0.000 0.000) 0.887 19.974 ( 8.659 0.000 0.000) 8.659 21.386 ( 1.368 0.000 0.000) 1.368 21.744 ( -3.444 0.000 0.000) 3.444 21.888 ( -2.182 0.000 0.000) 2.182 27.470 ( 0.980 0.000 0.000) 0.980 27.734 ( -1.142 0.000 0.000) 1.142 27.752 ( -0.336 0.000 0.000) 0.336 27.758 ( -0.188 0.000 0.000) 0.188 36.830 ( 2.176 0.000 0.000) 2.176 37.165 ( 2.066 0.000 0.000) 2.066 37.600 ( -3.073 0.000 0.000) 3.073 37.796 ( -1.982 0.000 0.000) 1.982 38.041 ( 6.740 0.000 0.000) 6.740 38.121 ( -0.006 0.000 0.000) 0.006 38.214 ( -0.689 0.000 0.000) 0.689 40.616 ( -10.997 0.000 0.000) 10.997 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 26.396 0.000 0.000) 26.396 1.267 ( 31.273 0.000 0.000) 31.273 1.848 ( 47.045 0.000 0.000) 47.045 2.870 ( -10.891 0.000 0.000) 10.891 2.899 ( -6.915 0.000 0.000) 6.915 3.067 ( -9.953 0.000 0.000) 9.953 3.189 ( -2.940 0.000 0.000) 2.940 3.376 ( -9.535 0.000 0.000) 9.535 3.842 ( -16.977 0.000 0.000) 16.977 3.852 ( 5.163 0.000 0.000) 5.163 4.216 ( 18.797 0.000 0.000) 18.797 4.329 ( -4.602 0.000 0.000) 4.602 5.335 ( 7.419 0.000 0.000) 7.419 5.348 ( -19.197 0.000 0.000) 19.197 5.416 ( 9.725 0.000 0.000) 9.725 5.430 ( 2.954 0.000 0.000) 2.954 5.487 ( -1.212 0.000 0.000) 1.212 5.660 ( -1.148 0.000 0.000) 1.148 5.666 ( 7.448 0.000 0.000) 7.448 5.970 ( 1.954 0.000 0.000) 1.954 6.311 ( 8.212 0.000 0.000) 8.212 6.508 ( 7.385 0.000 0.000) 7.385 6.667 ( 7.663 0.000 0.000) 7.663 6.734 ( 6.358 0.000 0.000) 6.358 6.943 ( 1.388 0.000 0.000) 1.388 6.994 ( -2.791 0.000 0.000) 2.791 7.498 ( -5.863 0.000 0.000) 5.863 7.587 ( 3.028 0.000 0.000) 3.028 7.820 ( -11.201 0.000 0.000) 11.201 8.016 ( 0.946 0.000 0.000) 0.946 8.575 ( -13.395 0.000 0.000) 13.395 9.003 ( -11.727 0.000 0.000) 11.727 9.794 ( -1.520 0.000 0.000) 1.520 9.917 ( -0.038 0.000 0.000) 0.038 10.236 ( 0.810 0.000 0.000) 0.810 10.311 ( 0.872 0.000 0.000) 0.872 16.431 ( 2.414 0.000 0.000) 2.414 16.751 ( -2.497 0.000 0.000) 2.497 16.766 ( 2.754 0.000 0.000) 2.754 17.002 ( 3.032 0.000 0.000) 3.032 17.141 ( -3.002 0.000 0.000) 3.002 17.315 ( -0.722 0.000 0.000) 0.722 17.987 ( 0.485 0.000 0.000) 0.485 18.171 ( -1.567 0.000 0.000) 1.567 20.207 ( 15.055 0.000 0.000) 15.055 21.424 ( 2.615 0.000 0.000) 2.615 21.642 ( -7.199 0.000 0.000) 7.199 21.828 ( -3.911 0.000 0.000) 3.911 27.498 ( 1.861 0.000 0.000) 1.861 27.710 ( -1.271 0.000 0.000) 1.271 27.743 ( -0.608 0.000 0.000) 0.608 27.746 ( -1.002 0.000 0.000) 1.002 36.891 ( 4.197 0.000 0.000) 4.197 37.223 ( 3.906 0.000 0.000) 3.906 37.516 ( -5.501 0.000 0.000) 5.501 37.740 ( -3.848 0.000 0.000) 3.848 38.121 ( 0.069 0.000 0.000) 0.069 38.191 ( -0.322 0.000 0.000) 0.322 38.237 ( 12.308 0.000 0.000) 12.308 40.317 ( -19.525 0.000 0.000) 19.525 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 25.331 0.000 0.000) 25.331 1.834 ( 27.454 0.000 0.000) 27.454 2.717 ( -12.603 0.000 0.000) 12.603 2.727 ( 43.561 0.000 0.000) 43.561 2.729 ( -3.009 0.000 0.000) 3.009 2.848 ( -11.654 0.000 0.000) 11.654 3.134 ( -2.650 0.000 0.000) 2.650 3.200 ( -7.659 0.000 0.000) 7.659 3.482 ( -20.067 0.000 0.000) 20.067 3.954 ( 5.353 0.000 0.000) 5.353 4.241 ( -4.583 0.000 0.000) 4.583 4.564 ( 15.200 0.000 0.000) 15.200 4.911 ( -24.186 0.000 0.000) 24.186 5.418 ( -6.486 0.000 0.000) 6.486 5.470 ( 6.478 0.000 0.000) 6.478 5.490 ( 3.213 0.000 0.000) 3.213 5.595 ( 7.169 0.000 0.000) 7.169 5.630 ( -1.754 0.000 0.000) 1.754 5.778 ( 5.017 0.000 0.000) 5.017 5.995 ( 0.357 0.000 0.000) 0.357 6.503 ( 11.379 0.000 0.000) 11.379 6.704 ( 12.276 0.000 0.000) 12.276 6.821 ( 7.210 0.000 0.000) 7.210 6.887 ( 8.328 0.000 0.000) 8.328 6.951 ( -1.683 0.000 0.000) 1.683 6.989 ( 4.319 0.000 0.000) 4.319 7.395 ( -2.913 0.000 0.000) 2.913 7.541 ( -7.143 0.000 0.000) 7.143 7.566 ( -14.856 0.000 0.000) 14.856 8.120 ( 9.012 0.000 0.000) 9.012 8.267 ( -18.462 0.000 0.000) 18.462 8.768 ( -12.333 0.000 0.000) 12.333 9.777 ( -0.132 0.000 0.000) 0.132 9.896 ( -2.110 0.000 0.000) 2.110 10.258 ( 1.467 0.000 0.000) 1.467 10.321 ( 0.132 0.000 0.000) 0.132 16.486 ( 3.250 0.000 0.000) 3.250 16.694 ( -3.326 0.000 0.000) 3.326 16.829 ( 3.744 0.000 0.000) 3.744 17.070 ( 3.967 0.000 0.000) 3.967 17.073 ( -3.967 0.000 0.000) 3.967 17.286 ( -2.296 0.000 0.000) 2.296 18.006 ( 1.582 0.000 0.000) 1.582 18.136 ( -2.093 0.000 0.000) 2.093 20.531 ( 18.122 0.000 0.000) 18.122 21.464 ( -11.424 0.000 0.000) 11.424 21.485 ( 3.646 0.000 0.000) 3.646 21.743 ( -4.727 0.000 0.000) 4.727 27.540 ( 2.513 0.000 0.000) 2.513 27.684 ( -1.634 0.000 0.000) 1.634 27.725 ( -1.041 0.000 0.000) 1.041 27.730 ( -0.706 0.000 0.000) 0.706 36.989 ( 5.888 0.000 0.000) 5.888 37.312 ( 5.305 0.000 0.000) 5.305 37.395 ( -6.982 0.000 0.000) 6.982 37.651 ( -5.304 0.000 0.000) 5.304 38.124 ( 0.279 0.000 0.000) 0.279 38.170 ( -1.226 0.000 0.000) 1.226 38.542 ( 18.730 0.000 0.000) 18.730 39.891 ( -24.239 0.000 0.000) 24.239 ======================= Grid point 4 (5/120) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 23.252 0.000 0.000) 23.252 2.294 ( 19.566 0.000 0.000) 19.566 2.408 ( -19.308 0.000 0.000) 19.308 2.596 ( -13.469 0.000 0.000) 13.469 2.788 ( 10.013 0.000 0.000) 10.013 3.093 ( -19.659 0.000 0.000) 19.659 3.096 ( -1.053 0.000 0.000) 1.053 3.105 ( -2.384 0.000 0.000) 2.384 3.546 ( 40.313 0.000 0.000) 40.313 4.055 ( 5.136 0.000 0.000) 5.136 4.151 ( -4.820 0.000 0.000) 4.820 4.265 ( -33.938 0.000 0.000) 33.938 4.952 ( 15.976 0.000 0.000) 15.976 5.233 ( -12.581 0.000 0.000) 12.581 5.548 ( 2.754 0.000 0.000) 2.754 5.579 ( 4.791 0.000 0.000) 4.791 5.594 ( -2.035 0.000 0.000) 2.035 5.644 ( -1.402 0.000 0.000) 1.402 5.890 ( 5.941 0.000 0.000) 5.941 5.975 ( -2.625 0.000 0.000) 2.625 6.730 ( 11.665 0.000 0.000) 11.665 6.902 ( 1.847 0.000 0.000) 1.847 6.907 ( -2.908 0.000 0.000) 2.908 6.926 ( -1.061 0.000 0.000) 1.061 6.977 ( 11.448 0.000 0.000) 11.448 7.142 ( 10.715 0.000 0.000) 10.715 7.265 ( -16.030 0.000 0.000) 16.030 7.358 ( -11.061 0.000 0.000) 11.061 7.512 ( 15.594 0.000 0.000) 15.594 7.883 ( -20.844 0.000 0.000) 20.844 8.319 ( 11.108 0.000 0.000) 11.108 8.537 ( -11.668 0.000 0.000) 11.668 9.794 ( 1.913 0.000 0.000) 1.913 9.844 ( -2.999 0.000 0.000) 2.999 10.289 ( 1.588 0.000 0.000) 1.588 10.314 ( -0.898 0.000 0.000) 0.898 16.554 ( 3.708 0.000 0.000) 3.708 16.626 ( -3.739 0.000 0.000) 3.739 16.907 ( 4.323 0.000 0.000) 4.323 16.992 ( -4.413 0.000 0.000) 4.413 17.150 ( 4.242 0.000 0.000) 4.242 17.228 ( -3.678 0.000 0.000) 3.678 18.045 ( 2.355 0.000 0.000) 2.355 18.092 ( -2.445 0.000 0.000) 2.445 20.882 ( 17.969 0.000 0.000) 17.969 21.205 ( -15.384 0.000 0.000) 15.384 21.562 ( 4.393 0.000 0.000) 4.393 21.651 ( -4.794 0.000 0.000) 4.794 27.592 ( 2.782 0.000 0.000) 2.782 27.644 ( -2.495 0.000 0.000) 2.495 27.713 ( -0.124 0.000 0.000) 0.124 27.718 ( -0.498 0.000 0.000) 0.498 37.114 ( 7.047 0.000 0.000) 7.047 37.255 ( -7.469 0.000 0.000) 7.469 37.423 ( 6.074 0.000 0.000) 6.074 37.541 ( -6.084 0.000 0.000) 6.084 38.133 ( 0.620 0.000 0.000) 0.620 38.148 ( -0.997 0.000 0.000) 0.997 38.945 ( 22.987 0.000 0.000) 22.987 39.411 ( -25.133 0.000 0.000) 25.133 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 0.000 27.677 0.000) 27.677 0.692 ( 0.000 35.363 0.000) 35.363 1.309 ( 0.000 63.618 0.000) 63.618 3.014 ( 0.000 -1.696 0.000) 1.696 3.273 ( 0.000 0.766 0.000) 0.766 3.282 ( 0.000 -3.019 0.000) 3.019 3.443 ( 0.000 16.211 0.000) 16.211 3.635 ( 0.000 3.889 0.000) 3.889 3.666 ( 0.000 3.395 0.000) 3.395 4.111 ( 0.000 7.576 0.000) 7.576 4.192 ( 0.000 2.798 0.000) 2.798 4.533 ( 0.000 6.766 0.000) 6.766 4.995 ( 0.000 -5.279 0.000) 5.279 5.268 ( 0.000 5.385 0.000) 5.385 5.305 ( 0.000 4.687 0.000) 4.687 5.454 ( 0.000 -0.908 0.000) 0.908 5.468 ( 0.000 19.937 0.000) 19.937 5.559 ( 0.000 3.902 0.000) 3.902 5.635 ( 0.000 -8.601 0.000) 8.601 5.981 ( 0.000 8.179 0.000) 8.179 6.279 ( 0.000 -5.178 0.000) 5.178 6.374 ( 0.000 20.552 0.000) 20.552 6.557 ( 0.000 4.988 0.000) 4.988 6.770 ( 0.000 14.647 0.000) 14.647 6.918 ( 0.000 -1.452 0.000) 1.452 7.043 ( 0.000 -5.357 0.000) 5.357 7.398 ( 0.000 0.576 0.000) 0.576 7.680 ( 0.000 5.388 0.000) 5.388 8.025 ( 0.000 -0.989 0.000) 0.989 8.126 ( 0.000 3.839 0.000) 3.839 8.802 ( 0.000 -3.719 0.000) 3.719 9.232 ( 0.000 -4.542 0.000) 4.542 9.755 ( 0.000 -7.479 0.000) 7.479 9.971 ( 0.000 -3.021 0.000) 3.021 10.259 ( 0.000 -2.494 0.000) 2.494 10.917 ( 0.000 -2.476 0.000) 2.476 16.501 ( 0.000 11.339 0.000) 11.339 16.773 ( 0.000 6.088 0.000) 6.088 16.865 ( 0.000 -3.608 0.000) 3.608 17.101 ( 0.000 7.099 0.000) 7.099 17.217 ( 0.000 1.433 0.000) 1.433 17.304 ( 0.000 -1.273 0.000) 1.273 17.946 ( 0.000 -3.890 0.000) 3.890 18.112 ( 0.000 -8.579 0.000) 8.579 19.871 ( 0.000 0.028 0.000) 0.028 19.889 ( 0.000 -0.049 0.000) 0.049 21.775 ( 0.000 -0.111 0.000) 0.111 21.902 ( 0.000 -0.700 0.000) 0.700 27.424 ( 0.000 -3.613 0.000) 3.613 27.623 ( 0.000 -2.204 0.000) 2.204 27.714 ( 0.000 -4.134 0.000) 4.134 27.729 ( 0.000 -2.672 0.000) 2.672 36.859 ( 0.000 4.894 0.000) 4.894 37.188 ( 0.000 4.160 0.000) 4.160 37.779 ( 0.000 -2.993 0.000) 2.993 37.949 ( 0.000 -2.661 0.000) 2.661 38.125 ( 0.000 0.644 0.000) 0.644 38.369 ( 0.000 14.029 0.000) 14.029 40.577 ( 0.000 -1.400 0.000) 1.400 40.597 ( 0.000 -12.562 0.000) 12.562 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.11 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 23.350 18.951 0.000) 30.072 0.939 ( 22.001 25.334 0.000) 33.554 1.535 ( 23.220 51.481 0.000) 56.476 2.973 ( -4.231 -1.081 0.000) 4.367 3.169 ( -9.023 3.190 0.000) 9.570 3.183 ( -7.363 0.361 0.000) 7.372 3.445 ( -0.641 16.304 0.000) 16.317 3.530 ( -5.893 0.260 0.000) 5.899 3.877 ( 14.281 1.393 0.000) 14.349 3.917 ( -10.244 6.494 0.000) 12.129 4.157 ( -2.812 8.070 0.000) 8.546 4.498 ( -3.212 7.509 0.000) 8.167 5.283 ( 11.361 -5.268 0.000) 12.522 5.336 ( 2.814 2.359 0.000) 3.672 5.361 ( 8.451 -1.853 0.000) 8.652 5.517 ( 5.674 0.021 0.000) 5.674 5.519 ( 4.558 20.744 0.000) 21.239 5.548 ( -8.347 -5.962 0.000) 10.257 5.622 ( 7.496 1.436 0.000) 7.632 6.000 ( 1.875 7.521 0.000) 7.751 6.215 ( -2.157 -3.685 0.000) 4.270 6.396 ( 2.399 19.624 0.000) 19.770 6.679 ( 6.944 0.433 0.000) 6.958 6.805 ( 2.524 15.156 0.000) 15.365 6.956 ( 4.559 0.870 0.000) 4.641 7.008 ( -2.800 -4.505 0.000) 5.304 7.469 ( 6.124 -0.137 0.000) 6.125 7.645 ( -3.618 5.274 0.000) 6.396 7.981 ( -4.449 -0.626 0.000) 4.493 8.089 ( -3.498 3.778 0.000) 5.148 8.736 ( -6.874 -3.639 0.000) 7.778 9.160 ( -7.028 -3.830 0.000) 8.004 9.742 ( -1.221 -7.382 0.000) 7.482 9.960 ( -1.327 -1.877 0.000) 2.298 10.262 ( 0.296 -2.987 0.000) 3.002 10.532 ( -22.121 15.285 0.000) 26.888 16.509 ( 0.840 10.895 0.000) 10.927 16.787 ( 1.439 6.084 0.000) 6.252 16.854 ( -1.538 -0.100 0.000) 1.541 16.997 ( -3.524 7.491 0.000) 8.279 17.206 ( -1.367 1.834 0.000) 2.287 17.305 ( 0.049 -1.293 0.000) 1.294 17.945 ( -0.057 -3.843 0.000) 3.843 18.110 ( -0.414 -8.302 0.000) 8.313 19.973 ( 8.610 -0.187 0.000) 8.612 20.555 ( 39.841 -36.826 0.000) 54.253 21.742 ( -3.468 -0.134 0.000) 3.470 21.879 ( -2.310 -0.810 0.000) 2.448 27.433 ( 0.956 -3.632 0.000) 3.756 27.651 ( 1.874 -4.936 0.000) 5.280 27.711 ( -0.275 -4.074 0.000) 4.084 27.713 ( -1.425 -2.703 0.000) 3.056 36.884 ( 2.587 5.270 0.000) 5.871 37.211 ( 2.367 4.454 0.000) 5.044 37.768 ( -1.231 -2.000 0.000) 2.348 38.012 ( 6.538 -2.862 0.000) 7.137 38.123 ( -0.202 0.437 0.000) 0.481 38.344 ( -2.553 12.803 0.000) 13.055 39.265 ( -77.492 72.639 0.000) 106.214 40.494 ( -10.514 -12.092 0.000) 16.024 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.22 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 22.686 17.626 0.000) 28.729 1.422 ( 26.716 15.222 0.000) 30.748 2.132 ( 36.381 29.065 0.000) 46.566 2.862 ( -6.563 1.878 0.000) 6.827 3.001 ( -8.212 6.935 0.000) 10.748 3.020 ( -9.504 -0.822 0.000) 9.539 3.393 ( -8.053 1.138 0.000) 8.133 3.405 ( -3.546 15.873 0.000) 16.264 3.721 ( -11.656 -1.618 0.000) 11.767 4.126 ( 0.193 17.041 0.000) 17.042 4.166 ( 14.630 -2.839 0.000) 14.902 4.437 ( -2.059 8.454 0.000) 8.701 5.293 ( -17.073 -5.366 0.000) 17.896 5.401 ( 3.601 0.485 0.000) 3.633 5.433 ( 0.268 -2.597 0.000) 2.611 5.482 ( 9.978 -0.542 0.000) 9.993 5.612 ( 3.904 3.746 0.000) 5.411 5.643 ( 6.686 25.850 0.000) 26.700 5.797 ( 8.477 5.835 0.000) 10.291 6.046 ( 2.718 6.501 0.000) 7.046 6.259 ( 7.004 -9.140 0.000) 11.515 6.471 ( 5.579 16.597 0.000) 17.510 6.792 ( 4.723 -1.073 0.000) 4.844 6.848 ( 3.847 12.342 0.000) 12.928 6.958 ( -2.151 -3.266 0.000) 3.911 7.071 ( 6.446 10.382 0.000) 12.221 7.546 ( -6.367 4.901 0.000) 8.035 7.559 ( 0.400 -1.871 0.000) 1.913 7.868 ( -6.737 3.289 0.000) 7.497 8.028 ( -0.967 1.504 0.000) 1.788 8.543 ( -13.064 -3.268 0.000) 13.466 8.983 ( -10.945 -2.235 0.000) 11.171 9.716 ( -1.285 -7.141 0.000) 7.256 9.918 ( -2.852 -1.465 0.000) 3.207 10.267 ( 0.091 -4.215 0.000) 4.216 10.277 ( -6.320 4.086 0.000) 7.526 16.534 ( 1.701 9.772 0.000) 9.919 16.809 ( -2.814 4.145 0.000) 5.010 16.827 ( 2.632 5.970 0.000) 6.524 16.995 ( 2.106 0.694 0.000) 2.218 17.166 ( -2.641 2.422 0.000) 3.584 17.300 ( -0.793 -1.377 0.000) 1.589 17.948 ( 0.503 -3.762 0.000) 3.796 18.096 ( -0.952 -7.330 0.000) 7.391 20.204 ( 15.018 -0.270 0.000) 15.020 21.073 ( 17.164 -26.715 0.000) 31.754 21.640 ( -7.227 -0.187 0.000) 7.229 21.815 ( -4.283 -1.242 0.000) 4.459 27.460 ( 1.792 -3.708 0.000) 4.118 27.671 ( -0.178 -5.801 0.000) 5.804 27.684 ( -1.145 -2.656 0.000) 2.892 27.703 ( -0.496 -3.906 0.000) 3.938 36.957 ( 5.084 6.451 0.000) 8.213 37.278 ( 4.467 5.304 0.000) 6.934 37.728 ( -3.104 1.323 0.000) 3.374 38.119 ( -0.226 -0.095 0.000) 0.245 38.196 ( 10.568 -1.650 0.000) 10.696 38.224 ( -20.081 34.107 0.000) 39.580 38.322 ( -14.022 27.326 0.000) 30.714 40.208 ( -18.709 -10.831 0.000) 21.618 ======================= Grid point 12 (9/120) ======================= q-point: ( 0.33 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 22.349 15.261 0.000) 27.063 1.925 ( 24.873 9.408 0.000) 26.592 2.759 ( -3.753 2.980 0.000) 4.792 2.802 ( 1.969 1.171 0.000) 2.290 2.824 ( -10.704 9.192 0.000) 14.109 2.876 ( 24.168 11.727 0.000) 26.862 3.257 ( -4.980 4.898 0.000) 6.985 3.309 ( -6.331 10.519 0.000) 12.278 3.471 ( -13.096 5.844 0.000) 14.341 4.160 ( 3.089 17.612 0.000) 17.881 4.284 ( -2.967 3.858 0.000) 4.867 4.557 ( 13.953 -0.593 0.000) 13.965 4.902 ( -22.520 -0.466 0.000) 22.525 5.364 ( -7.154 -5.589 0.000) 9.079 5.473 ( 3.777 -0.061 0.000) 3.778 5.600 ( 0.998 -1.507 0.000) 1.807 5.742 ( 10.002 11.748 0.000) 15.430 5.758 ( 5.147 26.229 0.000) 26.730 5.916 ( 4.016 12.390 0.000) 13.024 6.089 ( 1.294 7.431 0.000) 7.543 6.471 ( 14.212 -11.800 0.000) 18.473 6.611 ( 8.799 11.466 0.000) 14.453 6.836 ( 1.250 -2.319 0.000) 2.635 6.931 ( -0.648 -1.549 0.000) 1.679 7.004 ( 9.998 10.851 0.000) 14.754 7.194 ( 6.374 13.039 0.000) 14.514 7.426 ( -12.852 -4.936 0.000) 13.767 7.426 ( -4.388 4.051 0.000) 5.972 7.719 ( -9.053 8.770 0.000) 12.604 8.110 ( 8.230 -1.033 0.000) 8.295 8.245 ( -17.211 -2.055 0.000) 17.333 8.759 ( -11.926 -0.966 0.000) 11.965 9.703 ( 0.129 -6.827 0.000) 6.829 9.856 ( -3.592 -3.782 0.000) 5.215 10.219 ( -0.793 -3.435 0.000) 3.525 10.263 ( -0.550 -5.592 0.000) 5.619 16.574 ( 2.482 8.374 0.000) 8.734 16.751 ( -3.168 5.082 0.000) 5.989 16.886 ( 3.469 5.597 0.000) 6.585 17.054 ( 3.663 -0.998 0.000) 3.796 17.107 ( -3.421 3.128 0.000) 4.636 17.270 ( -2.375 -1.511 0.000) 2.815 17.967 ( 1.460 -3.831 0.000) 4.100 18.073 ( -1.459 -6.156 0.000) 6.326 20.528 ( 18.121 -0.304 0.000) 18.124 21.316 ( 9.643 -14.835 0.000) 17.694 21.461 ( -11.440 -0.228 0.000) 11.443 21.720 ( -5.544 -2.290 0.000) 5.999 27.500 ( 2.380 -3.875 0.000) 4.547 27.641 ( -2.069 -4.465 0.000) 4.921 27.679 ( -0.114 -3.656 0.000) 3.657 27.693 ( -0.573 -3.664 0.000) 3.709 37.078 ( 7.403 8.596 0.000) 11.345 37.379 ( 6.023 6.574 0.000) 8.916 37.632 ( -7.687 9.973 0.000) 12.591 37.825 ( -14.148 25.616 0.000) 29.264 38.117 ( 0.108 -0.645 0.000) 0.654 38.217 ( -3.753 5.479 0.000) 6.641 38.497 ( 18.115 -4.428 0.000) 18.648 39.799 ( -23.297 -9.130 0.000) 25.022 ======================= Grid point 13 (10/120) ======================= q-point: ( 0.44 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 21.095 12.213 0.000) 24.375 2.344 ( 17.779 5.633 0.000) 18.650 2.526 ( -17.727 9.512 0.000) 20.118 2.609 ( -11.316 2.236 0.000) 11.535 2.809 ( 7.560 2.083 0.000) 7.841 3.043 ( -14.056 -2.070 0.000) 14.207 3.222 ( 1.143 10.754 0.000) 10.814 3.288 ( -5.736 15.262 0.000) 16.304 3.603 ( 33.585 7.357 0.000) 34.381 4.132 ( -16.489 1.192 0.000) 16.532 4.238 ( 5.276 16.491 0.000) 17.314 4.426 ( -18.086 13.085 0.000) 22.323 4.891 ( 15.439 -6.098 0.000) 16.600 5.169 ( -12.766 -6.545 0.000) 14.346 5.541 ( 3.104 0.007 0.000) 3.104 5.588 ( -1.717 -0.107 0.000) 1.720 5.839 ( 3.232 24.176 0.000) 24.391 5.868 ( 1.338 20.089 0.000) 20.133 5.996 ( 5.434 9.867 0.000) 11.264 6.080 ( -2.484 8.976 0.000) 9.313 6.767 ( 14.416 -9.161 0.000) 17.081 6.779 ( 6.949 3.237 0.000) 7.666 6.858 ( 2.380 -3.940 0.000) 4.604 6.944 ( 2.864 3.825 0.000) 4.778 7.062 ( -5.344 11.182 0.000) 12.393 7.129 ( -16.806 -6.730 0.000) 18.103 7.339 ( 9.440 10.883 0.000) 14.407 7.519 ( 14.673 2.105 0.000) 14.824 7.530 ( -10.216 10.701 0.000) 14.795 7.872 ( -19.884 -0.983 0.000) 19.908 8.315 ( 11.122 -0.400 0.000) 11.129 8.533 ( -11.576 -0.447 0.000) 11.585 9.725 ( 2.254 -6.387 0.000) 6.773 9.784 ( -3.649 -5.534 0.000) 6.629 10.224 ( 0.977 -6.080 0.000) 6.158 10.246 ( -1.136 -6.452 0.000) 6.551 16.628 ( 3.036 7.021 0.000) 7.650 16.689 ( -3.268 5.902 0.000) 6.746 16.958 ( 3.914 4.945 0.000) 6.307 17.034 ( -3.913 4.097 0.000) 5.665 17.133 ( 4.182 -1.519 0.000) 4.449 17.210 ( -3.718 -1.596 0.000) 4.046 18.002 ( 2.019 -4.248 0.000) 4.703 18.040 ( -1.917 -5.060 0.000) 5.411 20.879 ( 17.987 -0.286 0.000) 17.989 21.203 ( -15.401 -0.255 0.000) 15.403 21.475 ( 7.331 -8.122 0.000) 10.942 21.605 ( -6.359 -4.367 0.000) 7.714 27.549 ( 2.602 -4.140 0.000) 4.890 27.598 ( -2.441 -4.399 0.000) 5.031 27.678 ( 0.078 -3.363 0.000) 3.364 27.683 ( -0.420 -3.428 0.000) 3.454 37.240 ( 9.482 11.924 0.000) 15.234 37.439 ( -10.988 15.695 0.000) 19.159 37.504 ( 6.804 8.029 0.000) 10.524 37.638 ( -7.362 10.524 0.000) 12.843 38.126 ( 0.964 -0.566 0.000) 1.118 38.158 ( -2.351 1.205 0.000) 2.642 38.887 ( 22.220 -5.748 0.000) 22.951 39.337 ( -24.232 -7.353 0.000) 25.323 ======================= Grid point 18 (11/120) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 0.000 27.348 0.000) 27.348 1.383 ( 0.000 34.562 0.000) 34.562 2.434 ( 0.000 48.433 0.000) 48.433 2.986 ( 0.000 -0.896 0.000) 0.896 3.249 ( 0.000 0.219 0.000) 0.219 3.316 ( 0.000 4.652 0.000) 4.652 3.709 ( 0.000 3.457 0.000) 3.457 3.738 ( 0.000 3.284 0.000) 3.284 3.775 ( 0.000 14.775 0.000) 14.775 4.041 ( 0.000 -6.706 0.000) 6.706 4.528 ( 0.000 22.194 0.000) 22.194 4.676 ( 0.000 6.484 0.000) 6.484 4.882 ( 0.000 -5.657 0.000) 5.657 5.339 ( 0.000 1.713 0.000) 1.713 5.399 ( 0.000 7.178 0.000) 7.178 5.417 ( 0.000 -12.502 0.000) 12.502 5.461 ( 0.000 1.888 0.000) 1.888 5.652 ( 0.000 6.005 0.000) 6.005 5.818 ( 0.000 7.986 0.000) 7.986 6.157 ( 0.000 -6.473 0.000) 6.473 6.411 ( 0.000 36.714 0.000) 36.714 6.702 ( 0.000 9.583 0.000) 9.583 6.781 ( 0.000 3.375 0.000) 3.375 6.854 ( 0.000 -4.272 0.000) 4.272 7.010 ( 0.000 16.971 0.000) 16.971 7.151 ( 0.000 20.999 0.000) 20.999 7.417 ( 0.000 1.343 0.000) 1.343 7.820 ( 0.000 8.738 0.000) 8.738 8.001 ( 0.000 -1.731 0.000) 1.731 8.185 ( 0.000 1.855 0.000) 1.855 8.706 ( 0.000 -5.641 0.000) 5.641 9.105 ( 0.000 -8.156 0.000) 8.156 9.614 ( 0.000 -4.972 0.000) 4.972 9.907 ( 0.000 -2.648 0.000) 2.648 10.192 ( 0.000 -4.114 0.000) 4.114 10.843 ( 0.000 -5.066 0.000) 5.066 16.783 ( 0.000 15.860 0.000) 15.860 16.821 ( 0.000 -0.894 0.000) 0.894 16.932 ( 0.000 9.277 0.000) 9.277 17.241 ( 0.000 6.928 0.000) 6.928 17.249 ( 0.000 1.407 0.000) 1.407 17.278 ( 0.000 -0.890 0.000) 0.890 17.841 ( 0.000 -6.496 0.000) 6.496 17.892 ( 0.000 -12.764 0.000) 12.764 19.872 ( 0.000 0.059 0.000) 0.059 19.887 ( 0.000 -0.100 0.000) 0.100 21.773 ( 0.000 -0.101 0.000) 0.101 21.882 ( 0.000 -1.262 0.000) 1.262 27.331 ( 0.000 -5.364 0.000) 5.364 27.564 ( 0.000 -3.505 0.000) 3.505 27.601 ( 0.000 -7.085 0.000) 7.085 27.657 ( 0.000 -4.469 0.000) 4.469 36.988 ( 0.000 7.849 0.000) 7.849 37.291 ( 0.000 5.670 0.000) 5.670 37.716 ( 0.000 -3.171 0.000) 3.171 37.877 ( 0.000 -4.459 0.000) 4.459 38.160 ( 0.000 3.324 0.000) 3.324 38.728 ( 0.000 21.550 0.000) 21.550 40.254 ( 0.000 -21.462 0.000) 21.462 40.530 ( 0.000 -3.501 0.000) 3.501 ======================= Grid point 19 (12/120) ======================= q-point: ( 0.11 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 15.818 22.384 0.000) 27.409 1.509 ( 12.434 30.943 0.000) 33.348 2.526 ( 9.531 43.729 0.000) 44.756 2.982 ( -0.503 1.972 0.000) 2.035 3.214 ( -3.673 1.684 0.000) 4.040 3.238 ( -6.951 6.377 0.000) 9.433 3.546 ( -8.552 1.352 0.000) 8.658 3.741 ( -5.264 9.276 0.000) 10.665 3.913 ( 10.158 1.885 0.000) 10.332 3.959 ( -5.425 2.489 0.000) 5.969 4.461 ( -0.959 19.345 0.000) 19.369 4.658 ( -1.805 7.324 0.000) 7.543 5.119 ( 15.071 -6.406 0.000) 16.376 5.332 ( -4.507 -7.038 0.000) 8.357 5.374 ( -0.357 -2.499 0.000) 2.524 5.443 ( 2.456 4.652 0.000) 5.260 5.539 ( 9.468 1.551 0.000) 9.595 5.689 ( 3.300 6.251 0.000) 7.068 5.887 ( 6.534 7.204 0.000) 9.726 6.186 ( 3.375 -1.102 0.000) 3.551 6.414 ( 0.273 36.638 0.000) 36.639 6.694 ( 0.403 2.118 0.000) 2.156 6.770 ( -0.878 1.336 0.000) 1.599 6.928 ( 5.610 -1.684 0.000) 5.857 7.011 ( 0.350 19.260 0.000) 19.263 7.190 ( 4.595 20.780 0.000) 21.282 7.475 ( 5.120 0.796 0.000) 5.182 7.784 ( -3.685 8.926 0.000) 9.657 7.958 ( -4.089 -1.855 0.000) 4.490 8.159 ( -2.596 2.983 0.000) 3.955 8.640 ( -6.768 -5.675 0.000) 8.833 9.052 ( -5.303 -7.055 0.000) 8.826 9.600 ( -1.322 -5.229 0.000) 5.393 9.894 ( -1.406 -3.337 0.000) 3.622 10.185 ( -0.827 -4.685 0.000) 4.757 10.666 ( -15.618 0.753 0.000) 15.636 16.778 ( -0.406 14.947 0.000) 14.952 16.827 ( 0.674 -0.956 0.000) 1.170 16.947 ( 1.473 9.447 0.000) 9.561 17.164 ( -5.319 7.502 0.000) 9.196 17.252 ( -0.690 2.930 0.000) 3.010 17.279 ( 0.028 -0.860 0.000) 0.860 17.842 ( 0.095 -6.372 0.000) 6.372 17.897 ( 0.455 -12.332 0.000) 12.341 19.968 ( 8.538 -0.262 0.000) 8.542 20.152 ( 24.084 -10.019 0.000) 26.085 21.739 ( -3.524 -0.131 0.000) 3.527 21.857 ( -2.619 -1.422 0.000) 2.980 27.340 ( 0.910 -5.383 0.000) 5.459 27.565 ( 0.028 -4.128 0.000) 4.128 27.600 ( -0.106 -6.979 0.000) 6.980 27.642 ( -1.416 -4.419 0.000) 4.641 37.023 ( 3.585 8.395 0.000) 9.129 37.322 ( 3.236 6.209 0.000) 7.002 37.721 ( 0.470 -2.529 0.000) 2.572 37.935 ( 5.950 -4.823 0.000) 7.659 38.151 ( -0.863 2.870 0.000) 2.997 38.680 ( -4.948 20.439 0.000) 21.029 40.030 ( -43.886 16.928 0.000) 47.037 40.164 ( -9.235 -20.683 0.000) 22.651 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.22 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 19.394 15.560 0.000) 24.864 1.820 ( 18.862 23.913 0.000) 30.457 2.770 ( 13.051 24.217 0.000) 27.510 2.946 ( -4.093 6.261 0.000) 7.481 3.107 ( -3.961 15.362 0.000) 15.864 3.129 ( -4.484 5.480 0.000) 7.081 3.401 ( -6.014 -0.361 0.000) 6.024 3.577 ( -9.883 2.016 0.000) 10.086 3.886 ( -3.460 15.484 0.000) 15.866 4.122 ( 11.705 -1.892 0.000) 11.857 4.493 ( 3.088 19.396 0.000) 19.640 4.610 ( -3.126 7.647 0.000) 8.261 5.165 ( -11.166 -6.101 0.000) 12.724 5.296 ( 1.277 -7.525 0.000) 7.632 5.416 ( 3.323 1.615 0.000) 3.695 5.512 ( 5.818 2.696 0.000) 6.412 5.775 ( 7.193 9.620 0.000) 12.012 5.783 ( 14.178 -4.440 0.000) 14.857 6.038 ( 8.389 5.220 0.000) 9.880 6.288 ( 6.862 8.751 0.000) 11.121 6.419 ( 0.236 36.495 0.000) 36.496 6.726 ( 2.381 -4.308 0.000) 4.922 6.757 ( -0.364 -1.935 0.000) 1.969 7.028 ( 5.355 1.836 0.000) 5.661 7.029 ( 1.621 21.991 0.000) 22.051 7.328 ( 8.837 17.802 0.000) 19.875 7.537 ( -1.808 -0.089 0.000) 1.810 7.684 ( -6.476 9.383 0.000) 11.401 7.895 ( -0.104 -0.694 0.000) 0.702 8.089 ( -4.298 4.594 0.000) 6.291 8.455 ( -12.190 -5.293 0.000) 13.290 8.914 ( -8.756 -4.678 0.000) 9.927 9.571 ( -1.441 -5.886 0.000) 6.060 9.849 ( -3.402 -4.424 0.000) 5.580 10.161 ( -1.615 -6.129 0.000) 6.338 10.360 ( -14.193 3.263 0.000) 14.563 16.772 ( -0.090 13.057 0.000) 13.058 16.843 ( 0.720 -0.164 0.000) 0.739 16.984 ( 2.311 9.343 0.000) 9.625 17.082 ( -2.733 6.909 0.000) 7.430 17.229 ( -1.648 3.799 0.000) 4.141 17.272 ( -0.896 -0.855 0.000) 1.239 17.848 ( 0.617 -6.121 0.000) 6.152 17.907 ( 0.485 -11.085 0.000) 11.096 20.198 ( 14.950 -0.316 0.000) 14.953 20.627 ( 23.002 -17.004 0.000) 28.605 21.636 ( -7.299 -0.208 0.000) 7.302 21.782 ( -5.153 -2.030 0.000) 5.538 27.365 ( 1.670 -5.455 0.000) 5.705 27.560 ( -0.795 -5.281 0.000) 5.340 27.597 ( -0.185 -6.680 0.000) 6.682 27.612 ( -1.339 -4.410 0.000) 4.609 37.126 ( 7.180 10.072 0.000) 12.370 37.413 ( 6.130 7.819 0.000) 9.935 37.733 ( 0.675 -0.509 0.000) 0.846 38.103 ( 11.523 -5.897 0.000) 12.944 38.129 ( -1.328 1.591 0.000) 2.073 38.545 ( -8.943 17.303 0.000) 19.478 39.163 ( -41.662 33.115 0.000) 53.220 39.912 ( -16.531 -18.575 0.000) 24.866 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 19.465 10.683 0.000) 22.204 2.195 ( 19.227 17.363 0.000) 25.906 2.812 ( -5.982 0.343 0.000) 5.992 2.840 ( -5.544 5.001 0.000) 7.466 3.004 ( -9.781 7.596 0.000) 12.384 3.207 ( 2.645 14.944 0.000) 15.176 3.364 ( 2.811 5.876 0.000) 6.514 3.463 ( 6.271 14.383 0.000) 15.691 3.795 ( -5.997 19.517 0.000) 20.418 4.332 ( 6.776 -1.061 0.000) 6.858 4.554 ( -0.380 0.292 0.000) 0.479 4.556 ( 3.384 20.921 0.000) 21.193 4.930 ( -12.347 4.929 0.000) 13.294 5.203 ( -9.165 -9.552 0.000) 13.238 5.488 ( 3.921 1.879 0.000) 4.348 5.601 ( 2.271 1.668 0.000) 2.818 5.974 ( 12.397 10.746 0.000) 16.406 6.068 ( 14.532 -0.933 0.000) 14.562 6.179 ( 5.574 3.384 0.000) 6.521 6.424 ( 0.149 35.394 0.000) 35.394 6.441 ( 9.393 10.863 0.000) 14.361 6.757 ( 0.229 -4.031 0.000) 4.038 6.763 ( 1.285 -4.577 0.000) 4.754 7.077 ( 3.344 20.958 0.000) 21.223 7.172 ( 10.109 0.684 0.000) 10.132 7.368 ( -13.814 -0.376 0.000) 13.819 7.469 ( 1.495 20.601 0.000) 20.655 7.571 ( -1.078 8.274 0.000) 8.344 7.893 ( -5.327 8.836 0.000) 10.318 8.067 ( 1.954 -3.870 0.000) 4.335 8.205 ( -10.087 -1.138 0.000) 10.151 8.727 ( -10.465 -2.374 0.000) 10.731 9.556 ( 0.138 -6.555 0.000) 6.557 9.764 ( -5.244 -4.955 0.000) 7.215 10.125 ( -1.992 -7.713 0.000) 7.966 10.158 ( -6.778 -1.988 0.000) 7.064 16.777 ( 0.603 10.960 0.000) 10.976 16.845 ( -0.650 3.057 0.000) 3.126 17.033 ( 2.704 8.605 0.000) 9.020 17.066 ( 1.075 3.112 0.000) 3.293 17.191 ( -2.266 5.211 0.000) 5.683 17.240 ( -2.424 -0.802 0.000) 2.553 17.866 ( 1.203 -6.107 0.000) 6.224 17.913 ( 0.077 -9.451 0.000) 9.451 20.521 ( 18.118 -0.339 0.000) 18.121 21.008 ( 16.868 -14.562 0.000) 22.284 21.456 ( -11.480 -0.272 0.000) 11.483 21.661 ( -7.398 -3.438 0.000) 8.158 27.403 ( 2.161 -5.596 0.000) 5.998 27.532 ( -1.948 -5.804 0.000) 6.122 27.593 ( -0.188 -6.240 0.000) 6.243 27.596 ( -0.452 -4.807 0.000) 4.828 37.298 ( 10.688 12.927 0.000) 16.773 37.552 ( 8.167 10.349 0.000) 13.183 37.741 ( -0.088 3.373 0.000) 3.374 38.107 ( -0.746 -0.098 0.000) 0.752 38.318 ( -9.643 11.475 0.000) 14.989 38.385 ( 10.738 -3.106 0.000) 11.178 38.509 ( -24.286 26.628 0.000) 36.039 39.549 ( -20.748 -15.686 0.000) 26.010 ======================= Grid point 22 (15/120) ======================= q-point: ( 0.44 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 17.381 6.799 0.000) 18.664 2.496 ( 8.486 8.585 0.000) 12.071 2.698 ( -4.676 5.304 0.000) 7.071 2.724 ( -9.700 10.796 0.000) 14.514 2.855 ( 2.043 2.157 0.000) 2.971 3.042 ( -12.777 3.710 0.000) 13.304 3.476 ( 7.823 14.128 0.000) 16.149 3.630 ( -6.736 18.099 0.000) 19.311 3.840 ( 20.499 15.216 0.000) 25.529 4.214 ( -15.768 6.162 0.000) 16.929 4.626 ( 4.146 21.067 0.000) 21.471 4.714 ( 9.559 -6.579 0.000) 11.604 4.737 ( -3.540 13.109 0.000) 13.578 4.983 ( -13.147 -11.359 0.000) 17.375 5.559 ( 3.315 2.182 0.000) 3.968 5.607 ( -1.358 2.212 0.000) 2.595 6.169 ( 6.789 7.898 0.000) 10.415 6.233 ( -0.137 4.895 0.000) 4.896 6.306 ( 9.140 16.411 0.000) 18.785 6.410 ( -2.284 29.694 0.000) 29.782 6.667 ( 13.115 1.313 0.000) 13.180 6.759 ( -0.288 -4.868 0.000) 4.876 6.788 ( 2.854 -2.487 0.000) 3.785 7.026 ( -15.855 -0.225 0.000) 15.857 7.200 ( 4.669 17.471 0.000) 18.084 7.327 ( -4.974 7.411 0.000) 8.925 7.443 ( 11.617 9.470 0.000) 14.988 7.687 ( 8.457 12.313 0.000) 14.938 7.712 ( -12.829 5.891 0.000) 14.117 7.880 ( -12.309 4.201 0.000) 13.006 8.304 ( 10.913 -0.580 0.000) 10.928 8.518 ( -11.125 -1.058 0.000) 11.175 9.584 ( 2.814 -6.656 0.000) 7.226 9.661 ( -5.050 -5.874 0.000) 7.747 10.086 ( -1.246 -6.813 0.000) 6.926 10.091 ( -1.326 -8.372 0.000) 8.476 16.795 ( 1.250 8.810 0.000) 8.898 16.822 ( -1.471 6.403 0.000) 6.570 17.086 ( 2.735 7.131 0.000) 7.637 17.109 ( 2.526 -0.060 0.000) 2.527 17.146 ( -1.933 6.863 0.000) 7.130 17.183 ( -3.392 -0.127 0.000) 3.394 17.890 ( 1.200 -6.682 0.000) 6.788 17.908 ( -0.620 -7.871 0.000) 7.895 20.872 ( 18.017 -0.323 0.000) 18.020 21.197 ( -15.430 -0.300 0.000) 15.433 21.287 ( 12.515 -9.912 0.000) 15.965 21.498 ( -9.639 -6.018 0.000) 11.363 27.446 ( 2.343 -5.772 0.000) 6.229 27.491 ( -2.282 -5.875 0.000) 6.303 27.590 ( -0.072 -5.748 0.000) 5.749 27.591 ( -0.132 -5.285 0.000) 5.287 37.528 ( 12.590 15.978 0.000) 20.342 37.707 ( -4.597 10.475 0.000) 11.439 37.720 ( 9.417 13.147 0.000) 16.172 37.969 ( -17.896 19.905 0.000) 26.767 38.117 ( 2.405 -0.200 0.000) 2.413 38.221 ( -8.729 6.381 0.000) 10.813 38.732 ( 20.024 -9.653 0.000) 22.230 39.136 ( -21.750 -12.594 0.000) 25.134 ======================= Grid point 27 (16/120) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 0.000 26.420 0.000) 26.420 2.032 ( 0.000 30.870 0.000) 30.870 2.982 ( 0.000 0.371 0.000) 0.371 3.000 ( 0.000 5.838 0.000) 5.838 3.298 ( 0.000 4.655 0.000) 4.655 3.619 ( 0.000 28.453 0.000) 28.453 3.773 ( 0.000 -0.260 0.000) 0.260 3.776 ( 0.000 3.866 0.000) 3.866 3.917 ( 0.000 -4.984 0.000) 4.984 3.966 ( 0.000 4.478 0.000) 4.478 4.708 ( 0.000 -6.031 0.000) 6.031 4.786 ( 0.000 -4.096 0.000) 4.096 4.939 ( 0.000 17.478 0.000) 17.478 5.231 ( 0.000 -3.171 0.000) 3.171 5.395 ( 0.000 3.967 0.000) 3.967 5.506 ( 0.000 2.421 0.000) 2.421 5.534 ( 0.000 5.507 0.000) 5.507 5.827 ( 0.000 12.445 0.000) 12.445 5.876 ( 0.000 -0.074 0.000) 0.074 6.056 ( 0.000 -3.281 0.000) 3.281 6.590 ( 0.000 -14.569 0.000) 14.569 6.729 ( 0.000 -8.479 0.000) 8.479 6.926 ( 0.000 12.995 0.000) 12.995 7.173 ( 0.000 35.842 0.000) 35.842 7.454 ( 0.000 2.584 0.000) 2.584 7.489 ( 0.000 19.552 0.000) 19.552 7.506 ( 0.000 12.781 0.000) 12.781 7.945 ( 0.000 -3.567 0.000) 3.567 8.026 ( 0.000 12.085 0.000) 12.085 8.248 ( 0.000 6.926 0.000) 6.926 8.604 ( 0.000 -4.015 0.000) 4.015 8.921 ( 0.000 -10.275 0.000) 10.275 9.600 ( 0.000 3.335 0.000) 3.335 9.905 ( 0.000 3.351 0.000) 3.351 10.102 ( 0.000 -4.977 0.000) 4.977 10.716 ( 0.000 -7.849 0.000) 7.849 16.829 ( 0.000 1.751 0.000) 1.751 17.067 ( 0.000 11.635 0.000) 11.635 17.085 ( 0.000 4.713 0.000) 4.713 17.247 ( 0.000 -2.412 0.000) 2.412 17.309 ( 0.000 5.332 0.000) 5.332 17.365 ( 0.000 5.510 0.000) 5.510 17.659 ( 0.000 -9.530 0.000) 9.530 17.711 ( 0.000 -6.085 0.000) 6.085 19.873 ( 0.000 0.095 0.000) 0.095 19.885 ( 0.000 -0.146 0.000) 0.146 21.773 ( 0.000 0.125 0.000) 0.125 21.854 ( 0.000 -1.566 0.000) 1.566 27.231 ( 0.000 -4.335 0.000) 4.335 27.448 ( 0.000 -8.033 0.000) 8.033 27.495 ( 0.000 -3.326 0.000) 3.326 27.563 ( 0.000 -4.763 0.000) 4.763 37.149 ( 0.000 8.084 0.000) 8.084 37.386 ( 0.000 3.481 0.000) 3.481 37.661 ( 0.000 -2.333 0.000) 2.333 37.783 ( 0.000 -4.844 0.000) 4.844 38.276 ( 0.000 8.883 0.000) 8.883 39.178 ( 0.000 23.391 0.000) 23.391 39.788 ( 0.000 -25.044 0.000) 25.044 40.432 ( 0.000 -6.755 0.000) 6.755 ======================= Grid point 28 (17/120) ======================= q-point: ( 0.11 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 9.281 23.354 0.000) 25.131 2.109 ( 7.814 29.249 0.000) 30.275 2.980 ( -2.401 2.420 0.000) 3.410 3.032 ( 4.856 2.332 0.000) 5.387 3.264 ( -3.610 4.101 0.000) 5.463 3.572 ( -10.904 1.027 0.000) 10.952 3.613 ( 0.323 30.455 0.000) 30.457 3.788 ( -8.911 -0.104 0.000) 8.911 3.940 ( 7.679 0.867 0.000) 7.728 4.047 ( 4.726 2.998 0.000) 5.596 4.691 ( -1.944 -6.750 0.000) 7.025 4.749 ( -0.168 5.290 0.000) 5.292 5.112 ( 12.167 7.972 0.000) 14.546 5.209 ( -2.032 0.441 0.000) 2.079 5.415 ( 2.064 3.864 0.000) 4.380 5.526 ( 2.186 3.228 0.000) 3.899 5.567 ( 3.394 2.977 0.000) 4.515 5.868 ( 3.221 10.305 0.000) 10.796 5.931 ( 5.234 -0.850 0.000) 5.303 6.154 ( 10.855 -1.520 0.000) 10.961 6.583 ( -0.625 -14.057 0.000) 14.071 6.696 ( -2.675 -4.957 0.000) 5.632 6.960 ( 2.933 7.765 0.000) 8.301 7.162 ( -1.188 34.168 0.000) 34.189 7.481 ( 1.034 11.845 0.000) 11.890 7.518 ( 4.156 10.502 0.000) 11.294 7.528 ( 2.279 11.205 0.000) 11.435 7.906 ( -3.712 -3.008 0.000) 4.778 8.007 ( -1.882 13.537 0.000) 13.668 8.241 ( -0.797 7.185 0.000) 7.229 8.539 ( -6.599 -3.734 0.000) 7.583 8.890 ( -3.172 -9.222 0.000) 9.752 9.579 ( -2.037 3.013 0.000) 3.637 9.877 ( -2.812 2.674 0.000) 3.880 10.086 ( -1.666 -5.222 0.000) 5.482 10.616 ( -9.731 -5.246 0.000) 11.054 16.832 ( 0.362 1.524 0.000) 1.567 17.030 ( -2.329 8.721 0.000) 9.027 17.116 ( 1.746 6.769 0.000) 6.990 17.228 ( -2.062 -1.330 0.000) 2.453 17.312 ( 0.173 5.430 0.000) 5.432 17.346 ( -1.432 6.000 0.000) 6.168 17.671 ( 1.185 -9.341 0.000) 9.416 17.715 ( 0.453 -5.826 0.000) 5.843 19.964 ( 8.563 -0.136 0.000) 8.564 20.035 ( 15.009 -3.346 0.000) 15.378 21.739 ( -3.571 0.115 0.000) 3.573 21.826 ( -2.963 -1.718 0.000) 3.425 27.240 ( 0.868 -4.359 0.000) 4.445 27.450 ( 0.136 -7.903 0.000) 7.905 27.488 ( -0.669 -3.539 0.000) 3.602 27.549 ( -1.330 -4.694 0.000) 4.879 37.194 ( 4.658 8.544 0.000) 9.731 37.428 ( 4.395 4.003 0.000) 5.945 37.676 ( 1.554 -1.886 0.000) 2.443 37.833 ( 5.108 -5.292 0.000) 7.355 38.257 ( -1.945 8.317 0.000) 8.541 39.109 ( -7.053 22.381 0.000) 23.466 39.715 ( -7.548 -24.165 0.000) 25.317 40.175 ( -24.759 0.416 0.000) 24.762 ======================= Grid point 29 (18/120) ======================= q-point: ( 0.22 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 12.469 16.879 0.000) 20.985 2.314 ( 12.868 25.311 0.000) 28.394 2.901 ( -5.634 -2.423 0.000) 6.133 3.090 ( -4.490 7.798 0.000) 8.998 3.207 ( 1.380 2.538 0.000) 2.889 3.388 ( -6.073 -0.752 0.000) 6.119 3.595 ( -7.207 12.113 0.000) 14.095 3.697 ( 5.110 22.782 0.000) 23.348 4.083 ( 7.688 -2.028 0.000) 7.951 4.120 ( 2.307 6.738 0.000) 7.122 4.628 ( -4.578 -7.231 0.000) 8.558 4.775 ( 1.760 4.636 0.000) 4.959 5.167 ( -2.097 7.889 0.000) 8.163 5.267 ( 1.188 8.663 0.000) 8.744 5.473 ( 3.836 4.137 0.000) 5.642 5.582 ( 4.159 4.214 0.000) 5.921 5.708 ( 12.468 -1.228 0.000) 12.528 5.959 ( 7.030 7.409 0.000) 10.214 6.055 ( 7.120 -1.952 0.000) 7.383 6.431 ( 15.973 2.539 0.000) 16.174 6.574 ( -0.069 -13.106 0.000) 13.106 6.650 ( -1.761 -3.699 0.000) 4.097 7.023 ( 3.643 2.007 0.000) 4.159 7.123 ( -3.030 29.723 0.000) 29.877 7.481 ( -1.661 13.449 0.000) 13.551 7.586 ( 0.050 9.186 0.000) 9.186 7.592 ( 4.282 6.457 0.000) 7.748 7.860 ( 1.827 -2.222 0.000) 2.877 7.961 ( -2.535 17.743 0.000) 17.923 8.209 ( -3.151 8.164 0.000) 8.751 8.366 ( -10.394 -2.450 0.000) 10.679 8.803 ( -5.853 -6.607 0.000) 8.827 9.532 ( -2.508 2.228 0.000) 3.354 9.803 ( -4.804 1.125 0.000) 4.934 10.042 ( -2.827 -5.763 0.000) 6.420 10.383 ( -13.364 -1.121 0.000) 13.411 16.846 ( 1.140 1.056 0.000) 1.554 16.987 ( -2.026 7.571 0.000) 7.838 17.145 ( 1.180 5.310 0.000) 5.439 17.177 ( -2.757 1.031 0.000) 2.943 17.310 ( -0.396 6.061 0.000) 6.074 17.324 ( -0.799 6.153 0.000) 6.205 17.701 ( 1.791 -8.738 0.000) 8.919 17.729 ( 0.958 -5.323 0.000) 5.409 20.194 ( 14.969 -0.027 0.000) 14.969 20.389 ( 20.329 -8.120 0.000) 21.890 21.634 ( -7.370 0.079 0.000) 7.371 21.739 ( -6.064 -2.254 0.000) 6.469 27.264 ( 1.577 -4.429 0.000) 4.702 27.453 ( 0.259 -7.534 0.000) 7.539 27.467 ( -1.569 -4.030 0.000) 4.325 27.520 ( -1.490 -4.692 0.000) 4.923 37.328 ( 9.359 9.923 0.000) 13.640 37.553 ( 8.549 5.659 0.000) 10.252 37.719 ( 2.952 -0.543 0.000) 3.001 37.977 ( 9.879 -6.619 0.000) 11.891 38.204 ( -3.442 6.608 0.000) 7.451 38.917 ( -12.717 19.605 0.000) 23.368 39.508 ( -13.610 -21.758 0.000) 25.664 39.588 ( -33.656 11.774 0.000) 35.656 ======================= Grid point 30 (19/120) ======================= q-point: ( 0.33 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 13.762 9.936 0.000) 16.974 2.568 ( 11.826 19.320 0.000) 22.652 2.790 ( -4.995 -2.845 0.000) 5.748 2.946 ( -6.567 5.582 0.000) 8.619 3.100 ( -10.964 2.639 0.000) 11.277 3.431 ( -9.396 11.267 0.000) 14.671 3.489 ( 12.401 6.428 0.000) 13.968 3.868 ( 11.034 21.559 0.000) 24.218 4.117 ( -2.853 11.930 0.000) 12.266 4.243 ( 8.798 -6.458 0.000) 10.914 4.518 ( -6.681 -4.633 0.000) 8.130 4.777 ( -2.504 -5.398 0.000) 5.950 5.132 ( -1.519 14.845 0.000) 14.922 5.194 ( -5.853 15.904 0.000) 16.947 5.555 ( 4.461 4.907 0.000) 6.632 5.659 ( 2.884 4.057 0.000) 4.978 6.023 ( 17.522 -1.634 0.000) 17.598 6.135 ( 11.555 5.611 0.000) 12.845 6.183 ( 5.684 -2.418 0.000) 6.177 6.583 ( 0.940 -12.185 0.000) 12.221 6.630 ( -0.057 -3.708 0.000) 3.708 6.719 ( 13.046 6.663 0.000) 14.649 7.034 ( -6.869 22.227 0.000) 23.264 7.116 ( 6.636 -1.935 0.000) 6.913 7.359 ( -10.917 6.075 0.000) 12.494 7.552 ( -1.684 16.717 0.000) 16.802 7.677 ( 3.933 2.400 0.000) 4.607 7.927 ( -0.389 21.940 0.000) 21.944 7.954 ( 1.112 -5.771 0.000) 5.877 8.081 ( -6.142 9.874 0.000) 11.628 8.230 ( -2.315 4.054 0.000) 4.669 8.669 ( -8.015 -3.509 0.000) 8.749 9.497 ( -0.667 1.379 0.000) 1.532 9.701 ( -5.618 -0.090 0.000) 5.619 9.986 ( -2.679 -6.006 0.000) 6.576 10.144 ( -10.760 -0.133 0.000) 10.761 16.874 ( 1.648 1.043 0.000) 1.950 16.954 ( -1.496 6.137 0.000) 6.317 17.136 ( -1.316 1.842 0.000) 2.264 17.158 ( 0.110 2.459 0.000) 2.461 17.299 ( -0.644 7.876 0.000) 7.903 17.311 ( -0.623 7.075 0.000) 7.102 17.735 ( 1.588 -7.781 0.000) 7.942 17.749 ( 0.996 -5.188 0.000) 5.283 20.517 ( 18.144 0.065 0.000) 18.144 20.774 ( 19.130 -9.229 0.000) 21.239 21.453 ( -11.509 0.054 0.000) 11.509 21.592 ( -9.221 -3.403 0.000) 9.829 27.299 ( 2.036 -4.527 0.000) 4.964 27.430 ( -2.251 -4.405 0.000) 4.947 27.460 ( 0.381 -6.987 0.000) 6.998 27.496 ( -1.000 -5.071 0.000) 5.168 37.552 ( 13.878 12.198 0.000) 18.477 37.752 ( 11.851 8.849 0.000) 14.790 37.787 ( 3.941 1.776 0.000) 4.323 38.133 ( -3.576 3.515 0.000) 5.014 38.206 ( 13.619 -8.676 0.000) 16.148 38.635 ( -16.166 15.710 0.000) 22.542 38.959 ( -30.574 16.622 0.000) 34.800 39.208 ( -17.239 -18.375 0.000) 25.195 ======================= Grid point 31 (20/120) ======================= q-point: ( 0.44 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 13.231 4.609 0.000) 14.011 2.638 ( -5.164 5.679 0.000) 7.676 2.743 ( 0.990 -0.626 0.000) 1.171 2.856 ( -9.773 0.035 0.000) 9.773 3.004 ( 9.456 15.688 0.000) 18.317 3.228 ( -11.710 14.201 0.000) 18.406 3.747 ( 13.386 12.702 0.000) 18.453 3.966 ( -7.700 15.471 0.000) 17.281 4.126 ( 10.027 12.175 0.000) 15.772 4.315 ( -7.050 2.223 0.000) 7.392 4.476 ( 7.889 -12.022 0.000) 14.380 4.661 ( -9.126 -15.226 0.000) 17.752 5.110 ( -0.664 20.290 0.000) 20.301 5.116 ( -1.787 22.725 0.000) 22.795 5.634 ( 3.516 5.436 0.000) 6.474 5.678 ( -0.836 5.120 0.000) 5.188 6.225 ( 4.885 -1.867 0.000) 5.229 6.255 ( 1.454 -2.325 0.000) 2.742 6.469 ( 20.014 4.442 0.000) 20.501 6.606 ( 1.187 -10.772 0.000) 10.837 6.629 ( -0.123 -7.125 0.000) 7.126 6.828 ( -15.053 10.853 0.000) 18.557 6.940 ( 10.312 12.813 0.000) 16.447 7.137 ( -10.884 11.617 0.000) 15.919 7.289 ( 11.021 -3.092 0.000) 11.446 7.484 ( -7.122 6.432 0.000) 9.597 7.728 ( 1.814 8.658 0.000) 8.846 7.802 ( -7.706 6.585 0.000) 10.137 7.964 ( 4.020 16.640 0.000) 17.119 8.049 ( -3.677 10.418 0.000) 11.048 8.308 ( 9.217 1.850 0.000) 9.400 8.498 ( -9.695 -0.750 0.000) 9.724 9.516 ( 2.669 0.701 0.000) 2.760 9.594 ( -5.176 0.027 0.000) 5.176 9.953 ( -0.302 -5.074 0.000) 5.083 9.992 ( -4.798 -2.503 0.000) 5.412 16.904 ( 1.408 2.256 0.000) 2.659 16.929 ( -1.184 4.285 0.000) 4.446 17.129 ( 0.533 1.087 0.000) 1.211 17.148 ( -1.057 0.484 0.000) 1.163 17.293 ( 0.088 9.271 0.000) 9.272 17.300 ( -0.560 8.496 0.000) 8.514 17.758 ( 0.743 -6.677 0.000) 6.718 17.762 ( 0.304 -5.705 0.000) 5.713 20.869 ( 18.029 0.096 0.000) 18.029 21.112 ( 15.929 -7.624 0.000) 17.660 21.194 ( -15.429 0.074 0.000) 15.430 21.384 ( -12.490 -5.304 0.000) 13.569 27.340 ( 2.265 -4.600 0.000) 5.128 27.385 ( -2.354 -4.575 0.000) 5.146 27.468 ( 0.528 -6.346 0.000) 6.368 27.480 ( -0.716 -5.686 0.000) 5.731 37.833 ( 11.825 14.535 0.000) 18.738 37.863 ( 3.515 5.817 0.000) 6.796 37.975 ( 10.529 11.573 0.000) 15.646 38.129 ( 7.529 1.728 0.000) 7.725 38.282 ( -17.692 11.630 0.000) 21.172 38.417 ( -15.475 8.326 0.000) 17.572 38.546 ( 9.171 -5.259 0.000) 10.572 38.864 ( -18.130 -14.548 0.000) 23.245 ======================= Grid point 36 (21/120) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 0.000 24.385 0.000) 24.385 2.567 ( 0.000 22.600 0.000) 22.600 2.896 ( 0.000 -12.724 0.000) 12.724 2.982 ( 0.000 -1.222 0.000) 1.222 3.418 ( 0.000 7.106 0.000) 7.106 3.714 ( 0.000 -5.711 0.000) 5.711 3.870 ( 0.000 0.271 0.000) 0.271 3.890 ( 0.000 8.543 0.000) 8.543 3.977 ( 0.000 -2.322 0.000) 2.322 4.176 ( 0.000 24.378 0.000) 24.378 4.454 ( 0.000 -16.812 0.000) 16.812 4.701 ( 0.000 -5.366 0.000) 5.366 5.193 ( 0.000 9.491 0.000) 9.491 5.297 ( 0.000 7.204 0.000) 7.204 5.472 ( 0.000 2.536 0.000) 2.536 5.477 ( 0.000 -4.694 0.000) 4.694 5.677 ( 0.000 9.007 0.000) 9.007 5.867 ( 0.000 0.923 0.000) 0.923 6.007 ( 0.000 -3.421 0.000) 3.421 6.111 ( 0.000 14.389 0.000) 14.389 6.275 ( 0.000 -16.542 0.000) 16.542 6.536 ( 0.000 -10.315 0.000) 10.315 7.203 ( 0.000 14.809 0.000) 14.809 7.502 ( 0.000 3.519 0.000) 3.519 7.615 ( 0.000 -1.443 0.000) 1.443 7.645 ( 0.000 -1.226 0.000) 1.226 7.720 ( 0.000 17.264 0.000) 17.264 7.911 ( 0.000 0.089 0.000) 0.089 8.269 ( 0.000 11.953 0.000) 11.953 8.463 ( 0.000 11.769 0.000) 11.769 8.577 ( 0.000 1.431 0.000) 1.431 8.710 ( 0.000 -10.989 0.000) 10.989 9.714 ( 0.000 7.430 0.000) 7.430 9.996 ( 0.000 -5.981 0.000) 5.981 10.051 ( 0.000 10.978 0.000) 10.978 10.533 ( 0.000 -10.793 0.000) 10.793 16.888 ( 0.000 4.190 0.000) 4.190 17.132 ( 0.000 1.605 0.000) 1.605 17.141 ( 0.000 -7.548 0.000) 7.548 17.198 ( 0.000 1.576 0.000) 1.576 17.454 ( 0.000 3.543 0.000) 3.543 17.458 ( 0.000 7.899 0.000) 7.899 17.545 ( 0.000 -2.794 0.000) 2.794 17.627 ( 0.000 -2.397 0.000) 2.397 19.875 ( 0.000 0.134 0.000) 0.134 19.882 ( 0.000 -0.170 0.000) 0.170 21.779 ( 0.000 0.584 0.000) 0.584 21.823 ( 0.000 -1.522 0.000) 1.522 27.177 ( 0.000 -0.951 0.000) 0.951 27.300 ( 0.000 -6.665 0.000) 6.665 27.444 ( 0.000 -1.641 0.000) 1.641 27.480 ( 0.000 -3.422 0.000) 3.422 37.292 ( 0.000 6.167 0.000) 6.167 37.419 ( 0.000 -0.093 0.000) 0.093 37.631 ( 0.000 -0.577 0.000) 0.577 37.697 ( 0.000 -3.773 0.000) 3.773 38.513 ( 0.000 15.108 0.000) 15.108 39.300 ( 0.000 -24.013 0.000) 24.013 39.619 ( 0.000 20.951 0.000) 20.951 40.257 ( 0.000 -11.189 0.000) 11.189 ======================= Grid point 37 (22/120) ======================= q-point: ( 0.11 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 4.289 22.009 0.000) 22.423 2.625 ( 5.936 22.285 0.000) 23.062 2.865 ( -3.172 -11.635 0.000) 12.060 3.049 ( 6.833 -1.142 0.000) 6.928 3.372 ( -4.918 6.135 0.000) 7.863 3.571 ( -11.066 -1.785 0.000) 11.209 3.817 ( -3.994 3.387 0.000) 5.237 3.972 ( 5.355 3.953 0.000) 6.656 4.007 ( 2.406 -2.166 0.000) 3.237 4.196 ( 2.134 22.087 0.000) 22.190 4.438 ( -1.444 -15.873 0.000) 15.939 4.719 ( 1.370 -5.541 0.000) 5.708 5.313 ( 11.296 9.202 0.000) 14.570 5.327 ( 2.972 8.858 0.000) 9.343 5.500 ( 2.733 3.605 0.000) 4.523 5.534 ( 5.363 -1.740 0.000) 5.638 5.702 ( 2.123 9.221 0.000) 9.462 5.899 ( 3.316 -0.679 0.000) 3.385 5.999 ( 0.172 0.201 0.000) 0.265 6.185 ( 7.521 6.258 0.000) 9.783 6.275 ( 0.070 -16.285 0.000) 16.285 6.529 ( -0.761 -10.203 0.000) 10.231 7.197 ( -0.450 14.442 0.000) 14.449 7.525 ( 1.395 3.677 0.000) 3.933 7.607 ( -2.686 4.027 0.000) 4.841 7.613 ( -0.170 -2.074 0.000) 2.081 7.757 ( 2.714 10.634 0.000) 10.975 7.880 ( -2.932 0.422 0.000) 2.963 8.269 ( 0.022 12.232 0.000) 12.232 8.446 ( -1.741 10.818 0.000) 10.957 8.525 ( -5.146 2.487 0.000) 5.716 8.696 ( -1.459 -10.310 0.000) 10.413 9.692 ( -2.156 7.612 0.000) 7.911 9.978 ( -1.780 -5.936 0.000) 6.197 10.014 ( -3.691 10.699 0.000) 11.317 10.471 ( -6.229 -9.428 0.000) 11.300 16.887 ( 0.008 4.074 0.000) 4.074 17.114 ( -1.689 2.176 0.000) 2.755 17.134 ( -0.651 -7.149 0.000) 7.179 17.196 ( -0.317 0.571 0.000) 0.653 17.449 ( -0.390 4.238 0.000) 4.255 17.462 ( 0.411 7.991 0.000) 8.001 17.556 ( 1.134 -2.984 0.000) 3.193 17.636 ( 0.835 -2.328 0.000) 2.473 19.964 ( 8.790 0.200 0.000) 8.792 19.992 ( 11.153 -1.411 0.000) 11.242 21.745 ( -3.556 0.616 0.000) 3.609 21.792 ( -3.249 -1.641 0.000) 3.640 27.184 ( 0.792 -1.007 0.000) 1.281 27.304 ( 0.402 -6.536 0.000) 6.548 27.435 ( -0.953 -1.751 0.000) 1.994 27.468 ( -1.226 -3.347 0.000) 3.564 37.343 ( 5.364 6.388 0.000) 8.342 37.469 ( 5.225 0.179 0.000) 5.228 37.654 ( 2.408 -0.170 0.000) 2.414 37.737 ( 4.171 -4.234 0.000) 5.943 38.483 ( -3.080 14.545 0.000) 14.867 39.243 ( -5.826 -23.193 0.000) 23.914 39.530 ( -9.142 19.811 0.000) 21.818 40.095 ( -16.171 -8.029 0.000) 18.054 ======================= Grid point 38 (23/120) ======================= q-point: ( 0.22 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 5.493 16.331 0.000) 17.230 2.780 ( 9.390 21.188 0.000) 23.176 2.782 ( -4.952 -9.085 0.000) 10.347 3.211 ( 0.619 1.669 0.000) 1.780 3.235 ( -2.837 2.106 0.000) 3.534 3.371 ( -6.015 -1.534 0.000) 6.208 3.750 ( -2.989 8.583 0.000) 9.089 4.065 ( 4.467 1.378 0.000) 4.674 4.068 ( 4.002 0.339 0.000) 4.016 4.247 ( 2.703 15.733 0.000) 15.964 4.408 ( -1.451 -12.904 0.000) 12.985 4.719 ( -2.494 -6.673 0.000) 7.124 5.396 ( 3.747 13.027 0.000) 13.555 5.548 ( 9.706 13.800 0.000) 16.872 5.572 ( 4.678 5.319 0.000) 7.083 5.662 ( 6.810 3.430 0.000) 7.625 5.755 ( 6.218 6.805 0.000) 9.218 5.988 ( 5.607 -3.755 0.000) 6.748 6.047 ( 5.254 1.070 0.000) 5.362 6.281 ( 0.611 -15.842 0.000) 15.853 6.393 ( 13.351 -3.883 0.000) 13.904 6.510 ( -0.829 -10.147 0.000) 10.181 7.198 ( 0.974 13.788 0.000) 13.823 7.472 ( -6.899 7.415 0.000) 10.128 7.581 ( -2.281 1.744 0.000) 2.871 7.617 ( 0.912 -3.414 0.000) 3.534 7.794 ( 0.240 6.129 0.000) 6.134 7.838 ( 0.401 0.293 0.000) 0.497 8.268 ( -0.204 12.545 0.000) 12.546 8.395 ( -5.918 8.035 0.000) 9.979 8.400 ( -4.626 6.108 0.000) 7.663 8.654 ( -3.014 -8.464 0.000) 8.985 9.642 ( -2.642 8.071 0.000) 8.492 9.918 ( -6.064 9.976 0.000) 11.674 9.933 ( -2.670 -5.596 0.000) 6.201 10.311 ( -9.856 -6.327 0.000) 11.713 16.892 ( 0.613 3.686 0.000) 3.736 17.075 ( -2.267 2.747 0.000) 3.562 17.118 ( -0.922 -5.956 0.000) 6.027 17.183 ( -1.061 -1.037 0.000) 1.483 17.445 ( 0.074 5.460 0.000) 5.461 17.470 ( 0.361 8.279 0.000) 8.287 17.586 ( 1.912 -3.403 0.000) 3.904 17.656 ( 1.133 -2.379 0.000) 2.635 20.200 ( 15.245 0.667 0.000) 15.260 20.277 ( 17.626 -3.871 0.000) 18.046 21.641 ( -7.352 0.689 0.000) 7.384 21.696 ( -6.746 -2.018 0.000) 7.041 27.206 ( 1.445 -1.159 0.000) 1.852 27.315 ( 0.745 -6.173 0.000) 6.218 27.407 ( -1.849 -1.921 0.000) 2.667 27.439 ( -1.667 -3.347 0.000) 3.739 37.498 ( 10.725 7.010 0.000) 12.813 37.619 ( 10.331 1.013 0.000) 10.380 37.722 ( 4.633 1.027 0.000) 4.746 37.855 ( 8.048 -5.593 0.000) 9.801 38.398 ( -5.660 12.951 0.000) 14.134 39.084 ( -10.572 -20.920 0.000) 23.439 39.282 ( -16.237 16.849 0.000) 23.399 39.680 ( -25.759 -1.504 0.000) 25.803 ======================= Grid point 39 (24/120) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 7.138 9.828 0.000) 12.147 2.702 ( -2.696 -5.984 0.000) 6.563 2.890 ( -3.200 11.380 0.000) 11.821 3.036 ( -9.152 1.923 0.000) 9.352 3.177 ( 1.295 8.562 0.000) 8.659 3.561 ( 16.865 -1.229 0.000) 16.909 3.682 ( -4.847 13.997 0.000) 14.812 4.149 ( 4.210 -1.123 0.000) 4.357 4.154 ( 4.597 -0.183 0.000) 4.600 4.281 ( 0.434 10.630 0.000) 10.639 4.386 ( -0.946 -8.173 0.000) 8.227 4.599 ( -9.861 -7.674 0.000) 12.495 5.462 ( 3.109 17.464 0.000) 17.739 5.610 ( -1.149 22.416 0.000) 22.446 5.673 ( 5.498 6.614 0.000) 8.601 5.759 ( 4.369 6.017 0.000) 7.436 5.984 ( 11.855 -3.328 0.000) 12.314 6.096 ( 5.070 -5.808 0.000) 7.709 6.214 ( 12.560 1.207 0.000) 12.618 6.300 ( 1.474 -15.786 0.000) 15.855 6.480 ( -0.148 -7.712 0.000) 7.713 6.693 ( 15.680 -8.620 0.000) 17.893 7.251 ( 4.881 13.286 0.000) 14.154 7.281 ( -13.073 7.013 0.000) 14.835 7.466 ( -8.900 1.346 0.000) 9.001 7.659 ( 3.737 -4.327 0.000) 5.717 7.753 ( -5.643 5.094 0.000) 7.602 7.873 ( 1.812 -2.133 0.000) 2.799 8.259 ( -0.802 11.996 0.000) 12.023 8.284 ( -3.806 9.086 0.000) 9.851 8.341 ( -1.704 5.530 0.000) 5.786 8.580 ( -4.586 -5.747 0.000) 7.352 9.605 ( -0.885 8.518 0.000) 8.564 9.795 ( -6.379 9.124 0.000) 11.133 9.888 ( -1.691 -4.587 0.000) 4.889 10.117 ( -9.725 -3.422 0.000) 10.309 16.912 ( 1.467 3.117 0.000) 3.445 17.031 ( -2.299 2.832 0.000) 3.647 17.104 ( -0.371 -4.517 0.000) 4.532 17.157 ( -1.557 -2.203 0.000) 2.697 17.451 ( 0.525 6.566 0.000) 6.587 17.474 ( 0.035 8.502 0.000) 8.502 17.625 ( 2.019 -3.717 0.000) 4.230 17.674 ( 0.639 -2.770 0.000) 2.843 20.527 ( 18.286 1.029 0.000) 18.315 20.636 ( 19.090 -5.132 0.000) 19.768 21.461 ( -11.443 0.809 0.000) 11.471 21.531 ( -10.467 -2.738 0.000) 10.819 27.238 ( 1.890 -1.368 0.000) 2.333 27.332 ( 1.010 -5.638 0.000) 5.728 27.366 ( -2.336 -1.902 0.000) 3.012 27.407 ( -1.565 -3.726 0.000) 4.041 37.754 ( 15.855 7.916 0.000) 17.721 37.829 ( 6.467 2.937 0.000) 7.103 37.864 ( 15.131 2.409 0.000) 15.322 38.041 ( 11.196 -7.747 0.000) 13.615 38.271 ( -7.337 10.575 0.000) 12.870 38.850 ( -13.448 -17.638 0.000) 22.180 38.927 ( -20.182 13.127 0.000) 24.076 39.155 ( -27.840 3.693 0.000) 28.084 ======================= Grid point 40 (25/120) ======================= q-point: ( 0.44 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 9.543 4.733 0.000) 10.653 2.703 ( 3.276 -3.068 0.000) 4.488 2.729 ( -9.832 3.789 0.000) 10.537 2.836 ( -10.081 -1.755 0.000) 10.233 3.345 ( 11.428 18.076 0.000) 21.385 3.548 ( -9.097 17.566 0.000) 19.781 3.908 ( 18.385 -0.720 0.000) 18.399 4.202 ( -6.854 -1.966 0.000) 7.130 4.219 ( 2.740 -4.069 0.000) 4.906 4.237 ( -1.291 3.610 0.000) 3.834 4.370 ( -0.569 -2.486 0.000) 2.550 4.404 ( -6.509 -4.695 0.000) 8.026 5.518 ( 2.790 20.706 0.000) 20.893 5.569 ( -2.554 22.670 0.000) 22.813 5.767 ( 3.892 7.728 0.000) 8.653 5.806 ( 0.175 7.750 0.000) 7.752 6.131 ( 4.110 -6.961 0.000) 8.084 6.159 ( 1.057 -6.840 0.000) 6.921 6.339 ( 2.496 -15.887 0.000) 16.082 6.375 ( 0.152 -14.692 0.000) 14.693 6.625 ( 17.308 7.730 0.000) 18.956 6.979 ( -17.859 7.209 0.000) 19.259 6.990 ( 15.026 -6.935 0.000) 16.550 7.258 ( -12.576 -2.468 0.000) 12.816 7.387 ( 9.086 11.893 0.000) 14.967 7.583 ( -10.676 8.088 0.000) 13.393 7.759 ( 6.234 -3.815 0.000) 7.309 7.863 ( -3.436 -2.158 0.000) 4.058 8.235 ( -1.124 8.094 0.000) 8.171 8.239 ( -1.031 10.226 0.000) 10.278 8.374 ( 4.625 2.739 0.000) 5.375 8.480 ( -5.714 -2.056 0.000) 6.073 9.617 ( 2.129 8.610 0.000) 8.869 9.685 ( -4.842 8.609 0.000) 9.877 9.883 ( 1.627 -3.045 0.000) 3.453 9.959 ( -6.292 -2.220 0.000) 6.672 16.947 ( 2.013 2.705 0.000) 3.372 16.987 ( -2.204 2.679 0.000) 3.470 17.107 ( 0.630 -3.462 0.000) 3.519 17.127 ( -1.423 -2.850 0.000) 3.185 17.463 ( 0.572 7.562 0.000) 7.583 17.472 ( -0.330 8.278 0.000) 8.285 17.659 ( 1.418 -3.687 0.000) 3.950 17.677 ( -0.379 -3.308 0.000) 3.329 20.880 ( 18.008 1.111 0.000) 18.042 20.990 ( 17.401 -4.855 0.000) 18.066 21.203 ( -15.333 0.983 0.000) 15.364 21.295 ( -14.189 -3.802 0.000) 14.690 27.278 ( 2.165 -1.581 0.000) 2.680 27.321 ( -2.337 -1.763 0.000) 2.928 27.354 ( 1.219 -5.005 0.000) 5.151 27.379 ( -1.402 -4.341 0.000) 4.561 37.966 ( 7.641 5.452 0.000) 9.386 38.085 ( 10.963 10.537 0.000) 15.206 38.135 ( 0.811 4.830 0.000) 4.897 38.197 ( 18.991 5.037 0.000) 19.648 38.269 ( 10.951 -9.432 0.000) 14.453 38.530 ( -20.002 9.228 0.000) 22.029 38.585 ( -13.268 -13.412 0.000) 18.866 38.648 ( -23.737 5.101 0.000) 24.279 ======================= Grid point 45 (26/120) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( 0.000 -20.398 0.000) 20.398 2.562 ( 0.000 20.398 0.000) 20.398 2.887 ( 0.000 -9.780 0.000) 9.780 2.887 ( 0.000 9.780 0.000) 9.780 3.569 ( 0.000 -8.149 0.000) 8.149 3.569 ( 0.000 8.149 0.000) 8.149 3.913 ( 0.000 -3.400 0.000) 3.400 3.913 ( 0.000 3.400 0.000) 3.400 4.127 ( 0.000 -15.240 0.000) 15.240 4.127 ( 0.000 15.240 0.000) 15.240 4.536 ( 0.000 -12.535 0.000) 12.535 4.536 ( 0.000 12.535 0.000) 12.535 5.354 ( 0.000 -7.315 0.000) 7.315 5.354 ( 0.000 7.315 0.000) 7.315 5.439 ( 0.000 -5.798 0.000) 5.798 5.439 ( 0.000 5.798 0.000) 5.798 5.873 ( 0.000 -9.806 0.000) 9.806 5.873 ( 0.000 9.806 0.000) 9.806 5.986 ( 0.000 -11.472 0.000) 11.472 5.986 ( 0.000 11.472 0.000) 11.472 6.345 ( 0.000 -9.738 0.000) 9.738 6.345 ( 0.000 9.738 0.000) 9.738 7.476 ( 0.000 -11.741 0.000) 11.741 7.476 ( 0.000 11.741 0.000) 11.741 7.577 ( 0.000 -4.110 0.000) 4.110 7.577 ( 0.000 4.110 0.000) 4.110 7.896 ( 0.000 -2.910 0.000) 2.910 7.896 ( 0.000 2.910 0.000) 2.910 8.493 ( 0.000 -11.103 0.000) 11.103 8.493 ( 0.000 11.103 0.000) 11.103 8.601 ( 0.000 -1.555 0.000) 1.555 8.601 ( 0.000 1.555 0.000) 1.555 9.864 ( 0.000 -7.380 0.000) 7.380 9.864 ( 0.000 7.380 0.000) 7.380 10.297 ( 0.000 -12.955 0.000) 12.955 10.297 ( 0.000 12.955 0.000) 12.955 16.995 ( 0.000 -6.661 0.000) 6.661 16.995 ( 0.000 6.661 0.000) 6.661 17.174 ( 0.000 -2.513 0.000) 2.513 17.174 ( 0.000 2.513 0.000) 2.513 17.506 ( 0.000 -1.928 0.000) 1.928 17.506 ( 0.000 1.928 0.000) 1.928 17.577 ( 0.000 -3.898 0.000) 3.898 17.577 ( 0.000 3.898 0.000) 3.898 19.878 ( 0.000 -0.164 0.000) 0.164 19.878 ( 0.000 0.164 0.000) 0.164 21.796 ( 0.000 -1.137 0.000) 1.137 21.796 ( 0.000 1.137 0.000) 1.137 27.200 ( 0.000 -3.293 0.000) 3.293 27.200 ( 0.000 3.293 0.000) 3.293 27.436 ( 0.000 -0.953 0.000) 0.953 27.436 ( 0.000 0.953 0.000) 0.953 37.385 ( 0.000 -3.289 0.000) 3.289 37.385 ( 0.000 3.289 0.000) 3.289 37.642 ( 0.000 -1.708 0.000) 1.708 37.642 ( 0.000 1.708 0.000) 1.708 38.862 ( 0.000 -20.252 0.000) 20.252 38.862 ( 0.000 20.252 0.000) 20.252 39.987 ( 0.000 -16.295 0.000) 16.295 39.987 ( 0.000 16.295 0.000) 16.295 ======================= Grid point 47 (27/120) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 0.025 -18.344 0.000) 18.344 2.564 ( 0.025 18.344 0.000) 18.344 2.949 ( 6.309 -10.219 0.000) 12.009 2.949 ( 6.309 10.219 0.000) 12.009 3.490 ( -7.727 -5.767 0.000) 9.642 3.490 ( -7.727 5.767 0.000) 9.642 3.911 ( 0.247 -5.634 0.000) 5.639 3.911 ( 0.247 5.634 0.000) 5.639 4.142 ( 1.372 -12.994 0.000) 13.066 4.142 ( 1.372 12.994 0.000) 13.066 4.546 ( 0.735 -12.765 0.000) 12.786 4.546 ( 0.735 12.765 0.000) 12.786 5.458 ( 10.039 -5.747 0.000) 11.568 5.458 ( 10.039 5.747 0.000) 11.568 5.484 ( 4.535 -5.664 0.000) 7.256 5.484 ( 4.535 5.664 0.000) 7.256 5.894 ( 2.348 -9.188 0.000) 9.483 5.894 ( 2.348 9.188 0.000) 9.483 5.992 ( 0.649 -10.865 0.000) 10.884 5.992 ( 0.649 10.865 0.000) 10.884 6.342 ( -0.094 -8.597 0.000) 8.598 6.342 ( -0.094 8.597 0.000) 8.598 7.468 ( -0.588 -11.769 0.000) 11.784 7.468 ( -0.588 11.769 0.000) 11.784 7.586 ( 0.474 -2.878 0.000) 2.916 7.586 ( 0.474 2.878 0.000) 2.916 7.877 ( -1.817 -1.823 0.000) 2.574 7.877 ( -1.817 1.823 0.000) 2.574 8.490 ( -0.361 -10.663 0.000) 10.669 8.490 ( -0.361 10.663 0.000) 10.669 8.567 ( -3.352 -0.899 0.000) 3.471 8.567 ( -3.352 0.899 0.000) 3.471 9.846 ( -1.753 -7.516 0.000) 7.718 9.846 ( -1.753 7.516 0.000) 7.718 10.253 ( -4.405 -12.385 0.000) 13.146 10.253 ( -4.405 12.385 0.000) 13.146 16.992 ( -0.187 -6.576 0.000) 6.579 16.992 ( -0.187 6.576 0.000) 6.579 17.162 ( -1.169 -2.761 0.000) 2.998 17.162 ( -1.169 2.761 0.000) 2.998 17.512 ( 0.601 -2.324 0.000) 2.401 17.512 ( 0.601 2.324 0.000) 2.401 17.584 ( 0.649 -4.042 0.000) 4.094 17.584 ( 0.649 4.042 0.000) 4.094 19.972 ( 9.481 -0.664 0.000) 9.504 19.972 ( 9.481 0.664 0.000) 9.504 21.763 ( -3.449 -1.214 0.000) 3.657 21.763 ( -3.449 1.214 0.000) 3.657 27.206 ( 0.636 -3.193 0.000) 3.255 27.206 ( 0.636 3.193 0.000) 3.255 27.425 ( -1.109 -0.871 0.000) 1.410 27.425 ( -1.109 0.871 0.000) 1.410 37.439 ( 5.542 -3.254 0.000) 6.426 37.439 ( 5.542 3.254 0.000) 6.426 37.673 ( 3.257 -2.140 0.000) 3.897 37.673 ( 3.257 2.140 0.000) 3.897 38.820 ( -4.314 -19.573 0.000) 20.043 38.820 ( -4.314 19.573 0.000) 20.043 39.871 ( -11.807 -14.605 0.000) 18.780 39.871 ( -11.807 14.605 0.000) 18.780 ======================= Grid point 49 (28/120) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( -0.602 -13.556 0.000) 13.569 2.557 ( -0.602 13.556 0.000) 13.569 3.109 ( 8.196 -11.276 0.000) 13.940 3.109 ( 8.196 11.276 0.000) 13.940 3.309 ( -8.586 -4.036 0.000) 9.487 3.309 ( -8.586 4.036 0.000) 9.487 3.934 ( 2.028 -9.516 0.000) 9.729 3.934 ( 2.028 9.516 0.000) 9.729 4.176 ( 2.121 -9.686 0.000) 9.915 4.176 ( 2.121 9.686 0.000) 9.915 4.544 ( -1.563 -11.771 0.000) 11.875 4.544 ( -1.563 11.771 0.000) 11.875 5.598 ( 6.863 -5.296 0.000) 8.668 5.598 ( 6.863 5.296 0.000) 8.668 5.687 ( 12.291 -1.725 0.000) 12.411 5.687 ( 12.291 1.725 0.000) 12.411 5.963 ( 4.444 -10.170 0.000) 11.099 5.963 ( 4.444 10.170 0.000) 11.099 6.012 ( 1.423 -8.914 0.000) 9.027 6.012 ( 1.423 8.914 0.000) 9.027 6.360 ( 3.010 -2.543 0.000) 3.940 6.360 ( 3.010 2.543 0.000) 3.940 7.465 ( 0.590 -11.665 0.000) 11.680 7.465 ( 0.590 11.665 0.000) 11.680 7.560 ( -4.333 -2.940 0.000) 5.236 7.560 ( -4.333 2.940 0.000) 5.236 7.845 ( -0.991 -0.394 0.000) 1.066 7.845 ( -0.991 0.394 0.000) 1.066 8.477 ( -1.132 -9.476 0.000) 9.543 8.477 ( -1.132 9.476 0.000) 9.543 8.482 ( -5.189 -0.764 0.000) 5.244 8.482 ( -5.189 0.764 0.000) 5.244 9.805 ( -2.208 -7.659 0.000) 7.971 9.805 ( -2.208 7.659 0.000) 7.971 10.138 ( -7.218 -10.919 0.000) 13.089 10.138 ( -7.218 10.919 0.000) 13.089 16.991 ( 0.078 -6.169 0.000) 6.170 16.991 ( 0.078 6.169 0.000) 6.170 17.132 ( -1.891 -3.220 0.000) 3.734 17.132 ( -1.891 3.220 0.000) 3.734 17.529 ( 1.207 -3.195 0.000) 3.415 17.529 ( 1.207 3.195 0.000) 3.415 17.598 ( 0.706 -4.415 0.000) 4.471 17.598 ( 0.706 4.415 0.000) 4.471 20.223 ( 16.023 -1.832 0.000) 16.128 20.223 ( 16.023 1.832 0.000) 16.128 21.662 ( -7.162 -1.433 0.000) 7.304 21.662 ( -7.162 1.433 0.000) 7.304 27.223 ( 1.169 -2.915 0.000) 3.140 27.223 ( 1.169 2.915 0.000) 3.140 27.396 ( -1.824 -0.833 0.000) 2.005 27.396 ( -1.824 0.833 0.000) 2.005 37.598 ( 10.997 -3.115 0.000) 11.429 37.598 ( 10.997 3.115 0.000) 11.429 37.765 ( 6.275 -3.410 0.000) 7.142 37.765 ( 6.275 3.410 0.000) 7.142 38.702 ( -7.870 -17.682 0.000) 19.355 38.702 ( -7.870 17.682 0.000) 19.355 39.556 ( -20.253 -10.589 0.000) 22.854 39.556 ( -20.253 10.589 0.000) 22.854 ======================= Grid point 51 (29/120) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( 1.441 -8.373 0.000) 8.496 2.559 ( 1.441 8.373 0.000) 8.496 3.017 ( -12.091 -3.180 0.000) 12.502 3.017 ( -12.091 3.180 0.000) 12.502 3.415 ( 13.887 -12.173 0.000) 18.467 3.415 ( 13.887 12.173 0.000) 18.467 3.964 ( 0.173 -14.020 0.000) 14.021 3.964 ( 0.173 14.020 0.000) 14.021 4.223 ( 2.841 -7.436 0.000) 7.960 4.223 ( 2.841 7.436 0.000) 7.960 4.475 ( -5.350 -7.164 0.000) 8.941 4.475 ( -5.350 7.164 0.000) 8.941 5.733 ( 6.928 -5.569 0.000) 8.889 5.733 ( 6.928 5.569 0.000) 8.889 5.883 ( 7.327 -5.950 0.000) 9.439 5.883 ( 7.327 5.950 0.000) 9.439 6.024 ( 1.211 -18.047 0.000) 18.088 6.024 ( 1.211 18.047 0.000) 18.088 6.043 ( 1.597 -5.646 0.000) 5.868 6.043 ( 1.597 5.646 0.000) 5.868 6.507 ( 12.724 -8.438 0.000) 15.267 6.507 ( 12.724 8.438 0.000) 15.267 7.403 ( -11.642 -5.693 0.000) 12.960 7.403 ( -11.642 5.693 0.000) 12.960 7.505 ( 3.944 -11.101 0.000) 11.781 7.505 ( 3.944 11.101 0.000) 11.781 7.830 ( -1.568 -2.947 0.000) 3.338 7.830 ( -1.568 2.947 0.000) 3.338 8.389 ( -3.727 -1.319 0.000) 3.953 8.389 ( -3.727 1.319 0.000) 3.953 8.445 ( -2.205 -7.902 0.000) 8.204 8.445 ( -2.205 7.902 0.000) 8.204 9.774 ( -0.705 -7.479 0.000) 7.512 9.774 ( -0.705 7.479 0.000) 7.512 9.992 ( -7.526 -9.147 0.000) 11.845 9.992 ( -7.526 9.147 0.000) 11.845 16.998 ( 0.751 -5.405 0.000) 5.457 16.998 ( 0.751 5.405 0.000) 5.457 17.093 ( -2.122 -3.605 0.000) 4.183 17.093 ( -2.122 3.605 0.000) 4.183 17.556 ( 1.501 -4.073 0.000) 4.341 17.556 ( 1.501 4.073 0.000) 4.341 17.607 ( 0.163 -4.802 0.000) 4.805 17.607 ( 0.163 4.802 0.000) 4.805 20.562 ( 18.624 -2.624 0.000) 18.808 20.562 ( 18.624 2.624 0.000) 18.808 21.487 ( -11.148 -1.801 0.000) 11.293 21.487 ( -11.148 1.801 0.000) 11.293 27.250 ( 1.553 -2.513 0.000) 2.954 27.250 ( 1.553 2.513 0.000) 2.954 27.358 ( -2.063 -1.112 0.000) 2.343 27.358 ( -2.063 1.112 0.000) 2.343 37.858 ( 16.043 -2.795 0.000) 16.285 37.858 ( 16.043 2.795 0.000) 16.285 37.911 ( 8.754 -5.412 0.000) 10.292 37.911 ( 8.754 5.412 0.000) 10.292 38.527 ( -10.016 -14.972 0.000) 18.013 38.527 ( -10.016 14.972 0.000) 18.013 39.124 ( -23.989 -6.339 0.000) 24.812 39.124 ( -23.989 6.339 0.000) 24.812 ======================= Grid point 53 (30/120) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 6.093 -4.248 0.000) 7.428 2.630 ( 6.093 4.248 0.000) 7.428 2.792 ( -10.538 -2.683 0.000) 10.875 2.792 ( -10.538 2.683 0.000) 10.875 3.691 ( 13.735 -16.451 0.000) 21.431 3.691 ( 13.735 16.451 0.000) 21.431 3.902 ( -7.346 -18.119 0.000) 19.551 3.902 ( -7.346 18.119 0.000) 19.551 4.284 ( 3.506 -5.907 0.000) 6.869 4.284 ( 3.506 5.907 0.000) 6.869 4.366 ( -5.236 -3.749 0.000) 6.440 4.366 ( -5.236 3.749 0.000) 6.440 5.855 ( 5.610 -6.898 0.000) 8.891 5.855 ( 5.610 6.898 0.000) 8.891 5.936 ( -1.993 -6.617 0.000) 6.910 5.936 ( -1.993 6.617 0.000) 6.910 6.045 ( 1.781 -13.091 0.000) 13.211 6.045 ( 1.781 13.091 0.000) 13.211 6.063 ( 0.202 -4.394 0.000) 4.399 6.063 ( 0.202 4.394 0.000) 4.399 6.808 ( 17.215 -10.152 0.000) 19.986 6.808 ( 17.215 10.152 0.000) 19.986 7.133 ( -16.025 -8.081 0.000) 17.947 7.133 ( -16.025 8.081 0.000) 17.947 7.616 ( 7.220 -10.127 0.000) 12.438 7.616 ( 7.220 10.127 0.000) 12.438 7.755 ( -6.260 -7.901 0.000) 10.080 7.755 ( -6.260 7.901 0.000) 10.080 8.359 ( 0.605 -4.110 0.000) 4.154 8.359 ( 0.605 4.110 0.000) 4.154 8.396 ( -2.639 -6.260 0.000) 6.794 8.396 ( -2.639 6.260 0.000) 6.794 9.788 ( 2.293 -7.277 0.000) 7.630 9.788 ( 2.293 7.277 0.000) 7.630 9.864 ( -5.515 -7.769 0.000) 9.528 9.864 ( -5.515 7.769 0.000) 9.528 17.020 ( 1.470 -4.583 0.000) 4.813 17.020 ( 1.470 4.583 0.000) 4.813 17.053 ( -1.962 -3.988 0.000) 4.444 17.053 ( -1.962 3.988 0.000) 4.444 17.584 ( 1.281 -4.700 0.000) 4.871 17.584 ( 1.281 4.700 0.000) 4.871 17.603 ( -0.630 -4.946 0.000) 4.986 17.603 ( -0.630 4.946 0.000) 4.986 20.917 ( 17.886 -2.698 0.000) 18.088 20.917 ( 17.886 2.698 0.000) 18.088 21.235 ( -15.005 -2.296 0.000) 15.179 21.235 ( -15.005 2.296 0.000) 15.179 27.282 ( 1.816 -2.049 0.000) 2.738 27.282 ( 1.816 2.049 0.000) 2.738 27.319 ( -2.001 -1.566 0.000) 2.541 27.319 ( -2.001 1.566 0.000) 2.541 38.094 ( 10.100 -7.773 0.000) 12.745 38.094 ( 10.100 7.773 0.000) 12.745 38.188 ( 13.817 -0.673 0.000) 13.834 38.188 ( 13.817 0.673 0.000) 13.834 38.348 ( -4.118 -10.565 0.000) 11.339 38.348 ( -4.118 10.565 0.000) 11.339 38.663 ( -23.355 -3.447 0.000) 23.608 38.663 ( -23.355 3.447 0.000) 23.608 ======================= Grid point 99 (31/120) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 0.000 0.000 27.847) 27.847 0.656 ( 0.000 0.000 32.073) 32.073 1.106 ( 0.000 0.000 54.382) 54.382 2.809 ( 0.000 0.000 -19.006) 19.006 2.964 ( 0.000 0.000 -20.480) 20.480 3.320 ( 0.000 0.000 3.198) 3.198 3.535 ( 0.000 0.000 -3.185) 3.185 3.535 ( 0.000 0.000 7.772) 7.772 3.608 ( 0.000 0.000 -2.042) 2.042 3.857 ( 0.000 0.000 10.100) 10.100 4.293 ( 0.000 0.000 7.946) 7.946 4.394 ( 0.000 0.000 -4.791) 4.791 4.908 ( 0.000 0.000 -15.874) 15.874 5.209 ( 0.000 0.000 7.077) 7.077 5.336 ( 0.000 0.000 10.357) 10.357 5.499 ( 0.000 0.000 5.943) 5.943 5.591 ( 0.000 0.000 8.900) 8.900 5.611 ( 0.000 0.000 -11.002) 11.002 5.967 ( 0.000 0.000 5.354) 5.354 6.084 ( 0.000 0.000 0.280) 0.280 6.095 ( 0.000 0.000 -6.121) 6.121 6.131 ( 0.000 0.000 -15.112) 15.112 6.418 ( 0.000 0.000 0.830) 0.830 6.597 ( 0.000 0.000 7.976) 7.976 6.598 ( 0.000 0.000 -1.645) 1.645 6.821 ( 0.000 0.000 -7.847) 7.847 7.198 ( 0.000 0.000 3.958) 3.958 7.474 ( 0.000 0.000 -14.039) 14.039 8.104 ( 0.000 0.000 5.458) 5.458 8.194 ( 0.000 0.000 11.299) 11.299 8.788 ( 0.000 0.000 -5.018) 5.018 9.218 ( 0.000 0.000 -5.733) 5.733 9.911 ( 0.000 0.000 5.174) 5.174 10.072 ( 0.000 0.000 7.950) 7.950 10.168 ( 0.000 0.000 -1.313) 1.313 11.209 ( 0.000 0.000 -7.353) 7.353 16.408 ( 0.000 0.000 2.367) 2.367 16.684 ( 0.000 0.000 -2.254) 2.254 16.837 ( 0.000 0.000 3.107) 3.107 17.023 ( 0.000 0.000 7.844) 7.844 17.177 ( 0.000 0.000 -2.400) 2.400 17.661 ( 0.000 0.000 2.463) 2.463 17.941 ( 0.000 0.000 -4.557) 4.557 18.135 ( 0.000 0.000 -6.028) 6.028 19.872 ( 0.000 0.000 0.136) 0.136 19.888 ( 0.000 0.000 -0.105) 0.105 21.785 ( 0.000 0.000 0.835) 0.835 21.900 ( 0.000 0.000 -0.927) 0.927 27.481 ( 0.000 0.000 1.897) 1.897 27.654 ( 0.000 0.000 0.855) 0.855 27.735 ( 0.000 0.000 -1.905) 1.905 27.750 ( 0.000 0.000 -0.599) 0.599 36.830 ( 0.000 0.000 2.065) 2.065 37.121 ( 0.000 0.000 -2.354) 2.354 37.645 ( 0.000 0.000 1.358) 1.358 37.804 ( 0.000 0.000 -1.109) 1.109 37.996 ( 0.000 0.000 1.870) 1.870 38.207 ( 0.000 0.000 -1.289) 1.289 40.747 ( 0.000 0.000 2.215) 2.215 41.030 ( 0.000 0.000 -2.026) 2.026 ======================= Grid point 100 (32/120) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 18.041 0.000 20.086) 26.999 0.760 ( 15.866 0.000 19.766) 25.345 1.500 ( 32.589 0.000 40.325) 51.848 2.806 ( -0.230 0.000 -17.363) 17.365 2.884 ( -7.392 0.000 -17.862) 19.331 3.267 ( -5.247 0.000 1.892) 5.578 3.321 ( -12.656 0.000 6.089) 14.045 3.483 ( -5.259 0.000 -2.990) 6.049 3.766 ( 6.946 0.000 -6.646) 9.614 3.895 ( 3.634 0.000 10.268) 10.892 4.228 ( -3.865 0.000 8.340) 9.192 4.382 ( -1.123 0.000 -2.535) 2.773 5.102 ( 11.457 0.000 -20.847) 23.787 5.257 ( 4.705 0.000 6.335) 7.891 5.379 ( 4.628 0.000 9.237) 10.332 5.529 ( -8.143 0.000 -8.819) 12.004 5.573 ( 6.982 0.000 5.834) 9.099 5.611 ( 1.515 0.000 9.395) 9.517 5.822 ( -7.062 0.000 9.258) 11.644 5.978 ( 1.082 0.000 4.570) 4.696 6.133 ( 4.054 0.000 -5.860) 7.125 6.361 ( 7.380 0.000 -14.283) 16.077 6.432 ( 1.841 0.000 0.793) 2.005 6.627 ( 3.006 0.000 -1.716) 3.461 6.837 ( 1.572 0.000 -7.238) 7.407 6.935 ( 16.627 0.000 -4.565) 17.242 7.297 ( 13.131 0.000 -1.759) 13.249 7.442 ( -3.223 0.000 -13.863) 14.233 8.046 ( -6.041 0.000 5.391) 8.097 8.170 ( -2.203 0.000 11.443) 11.654 8.721 ( -6.947 0.000 -4.970) 8.541 9.150 ( -6.698 0.000 -4.671) 8.166 9.900 ( -1.177 0.000 5.655) 5.776 10.025 ( -4.079 0.000 6.423) 7.609 10.177 ( 0.490 0.000 -1.230) 1.324 10.781 ( -26.454 0.000 15.259) 30.540 16.420 ( 1.279 0.000 2.360) 2.684 16.697 ( 1.227 0.000 -2.292) 2.599 16.826 ( -1.139 0.000 3.113) 3.315 17.027 ( 0.851 0.000 7.418) 7.467 17.161 ( -1.587 0.000 -2.371) 2.853 17.480 ( -8.208 0.000 9.630) 12.653 17.939 ( -0.114 0.000 -4.508) 4.509 18.126 ( -1.151 0.000 -6.503) 6.604 19.978 ( 9.095 0.000 0.341) 9.102 20.548 ( 39.201 0.000 -35.612) 52.962 21.752 ( -3.427 0.000 0.853) 3.531 21.877 ( -2.366 0.000 -1.048) 2.587 27.489 ( 0.876 0.000 1.804) 2.005 27.679 ( 1.639 0.000 -1.876) 2.491 27.731 ( -0.679 0.000 -1.398) 1.554 27.737 ( -0.856 0.000 -1.004) 1.320 36.851 ( 2.166 0.000 2.056) 2.986 37.140 ( 2.054 0.000 -2.360) 3.128 37.615 ( -2.979 0.000 1.443) 3.310 37.784 ( -2.050 0.000 -1.175) 2.363 38.057 ( 6.302 0.000 1.516) 6.481 38.206 ( -0.058 0.000 -0.707) 0.710 39.787 ( -73.848 0.000 68.069) 100.434 40.635 ( -11.946 0.000 1.775) 12.078 ======================= Grid point 101 (33/120) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 22.914 0.000 12.318) 26.015 1.204 ( 27.169 0.000 0.230) 27.170 2.188 ( 36.790 0.000 25.597) 44.818 2.735 ( -6.161 0.000 -11.016) 12.622 2.799 ( -0.792 0.000 -11.904) 11.930 3.076 ( -13.335 0.000 1.620) 13.433 3.128 ( -8.963 0.000 -2.653) 9.347 3.346 ( -8.341 0.000 -2.235) 8.635 3.708 ( -12.813 0.000 -10.146) 16.344 3.982 ( 5.063 0.000 10.530) 11.684 4.307 ( 12.171 0.000 5.593) 13.395 4.353 ( -1.910 0.000 1.884) 2.683 5.212 ( -4.871 0.000 -15.769) 16.505 5.329 ( -7.622 0.000 -6.285) 9.880 5.374 ( 7.088 0.000 4.959) 8.651 5.506 ( 8.044 0.000 7.338) 10.888 5.639 ( 1.237 0.000 11.155) 11.223 5.721 ( 7.170 0.000 5.415) 8.985 5.763 ( -0.655 0.000 11.911) 11.929 6.002 ( 1.170 0.000 2.989) 3.210 6.250 ( 8.024 0.000 -5.836) 9.922 6.509 ( 8.182 0.000 -11.031) 13.735 6.513 ( 7.291 0.000 0.633) 7.318 6.716 ( 6.331 0.000 -1.772) 6.575 6.873 ( 1.776 0.000 -6.437) 6.678 7.075 ( 3.562 0.000 5.537) 6.584 7.356 ( -5.448 0.000 -13.296) 14.369 7.573 ( 10.072 0.000 -2.125) 10.293 7.877 ( -11.331 0.000 5.172) 12.456 8.135 ( -0.262 0.000 10.882) 10.885 8.525 ( -13.303 0.000 -4.829) 14.152 8.983 ( -10.175 0.000 -2.279) 10.427 9.862 ( -2.639 0.000 5.901) 6.464 9.948 ( -3.402 0.000 2.461) 4.198 10.180 ( -0.068 0.000 -2.798) 2.799 10.446 ( -9.970 0.000 7.243) 12.323 16.456 ( 2.397 0.000 2.339) 3.349 16.725 ( 1.203 0.000 -1.943) 2.285 16.800 ( -1.007 0.000 2.675) 2.858 17.061 ( 2.564 0.000 6.166) 6.678 17.117 ( -2.940 0.000 -2.285) 3.724 17.387 ( -2.981 0.000 6.191) 6.871 17.940 ( 0.278 0.000 -4.579) 4.587 18.096 ( -1.774 0.000 -7.127) 7.344 20.219 ( 15.484 0.000 1.258) 15.535 21.060 ( 17.130 0.000 -26.602) 31.640 21.652 ( -7.138 0.000 0.930) 7.198 21.812 ( -4.352 0.000 -1.531) 4.613 27.513 ( 1.621 0.000 1.495) 2.205 27.697 ( 0.064 0.000 -2.896) 2.896 27.705 ( -1.427 0.000 -0.553) 1.530 27.730 ( -0.348 0.000 -1.486) 1.526 36.912 ( 4.168 0.000 2.021) 4.633 37.198 ( 3.850 0.000 -2.389) 4.530 37.534 ( -5.311 0.000 1.676) 5.570 37.726 ( -3.947 0.000 -1.337) 4.167 38.204 ( 0.868 0.000 1.137) 1.430 38.239 ( 11.664 0.000 0.547) 11.677 38.850 ( -28.743 0.000 52.404) 59.769 40.317 ( -20.601 0.000 -0.324) 20.604 ======================= Grid point 102 (34/120) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 23.492 0.000 7.942) 24.798 1.730 ( 26.497 0.000 -6.887) 27.378 2.584 ( 1.656 0.000 -12.003) 12.117 2.733 ( -8.726 0.000 0.340) 8.732 2.797 ( -13.750 0.000 -2.127) 13.914 2.968 ( -4.944 0.000 -12.181) 13.146 2.994 ( 34.435 0.000 19.890) 39.767 3.187 ( -7.831 0.000 -2.605) 8.253 3.384 ( -19.226 0.000 -8.702) 21.103 4.079 ( 4.988 0.000 10.485) 11.611 4.308 ( -2.755 0.000 5.669) 6.303 4.586 ( 14.256 0.000 1.235) 14.309 4.882 ( -22.084 0.000 -3.059) 22.295 5.280 ( -3.735 0.000 -10.900) 11.522 5.510 ( 6.711 0.000 4.460) 8.058 5.655 ( 6.038 0.000 5.486) 8.158 5.665 ( 1.743 0.000 12.834) 12.952 5.760 ( -0.229 0.000 13.227) 13.229 5.825 ( 4.244 0.000 4.591) 6.252 6.015 ( 0.003 0.000 1.835) 1.835 6.434 ( 10.809 0.000 -6.674) 12.703 6.659 ( 7.007 0.000 -9.525) 11.825 6.711 ( 12.575 0.000 0.761) 12.598 6.860 ( 6.957 0.000 -2.698) 7.462 6.886 ( -0.774 0.000 -6.532) 6.578 7.167 ( 6.690 0.000 11.613) 13.402 7.269 ( -1.166 0.000 -11.341) 11.401 7.621 ( -14.916 0.000 4.730) 15.648 7.629 ( -3.344 0.000 6.580) 7.381 8.201 ( 7.010 0.000 7.502) 10.267 8.219 ( -18.363 0.000 -4.622) 18.936 8.777 ( -10.953 0.000 0.478) 10.964 9.816 ( -1.750 0.000 3.615) 4.016 9.892 ( -2.716 0.000 -0.227) 2.725 10.183 ( 0.658 0.000 -5.355) 5.395 10.323 ( -4.165 0.000 -1.529) 4.437 16.511 ( 3.223 0.000 2.302) 3.961 16.710 ( -2.592 0.000 1.182) 2.849 16.820 ( 2.932 0.000 -0.581) 2.989 17.051 ( -3.876 0.000 -2.144) 4.429 17.121 ( 3.624 0.000 5.195) 6.334 17.334 ( -2.919 0.000 4.482) 5.349 17.953 ( 1.166 0.000 -5.072) 5.204 18.060 ( -1.957 0.000 -7.218) 7.479 20.549 ( 18.269 0.000 1.821) 18.359 21.304 ( 9.718 0.000 -15.282) 18.110 21.475 ( -11.250 0.000 1.143) 11.308 21.715 ( -5.636 0.000 -2.658) 6.231 27.550 ( 2.109 0.000 0.916) 2.299 27.671 ( -1.772 0.000 -1.354) 2.230 27.698 ( -0.108 0.000 -1.570) 1.574 27.720 ( -0.608 0.000 -1.140) 1.292 37.009 ( 5.824 0.000 1.939) 6.139 37.283 ( 4.685 0.000 -2.525) 5.322 37.420 ( -6.209 0.000 2.080) 6.548 37.636 ( -5.391 0.000 -1.514) 5.599 38.216 ( 1.032 0.000 4.303) 4.425 38.467 ( -5.307 0.000 22.914) 23.521 38.552 ( 11.487 0.000 6.572) 13.234 39.873 ( -24.884 0.000 -2.019) 24.966 ======================= Grid point 103 (35/120) ======================= q-point: ( 0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 22.218 0.000 5.321) 22.846 2.184 ( 20.110 0.000 -8.386) 21.788 2.449 ( -18.862 0.000 3.956) 19.272 2.512 ( -15.250 0.000 -6.310) 16.504 2.687 ( 11.109 0.000 -9.853) 14.849 2.965 ( 3.049 0.000 -10.511) 10.944 2.998 ( -19.533 0.000 -8.939) 21.481 3.054 ( -5.923 0.000 -5.711) 8.228 3.693 ( 35.438 0.000 13.226) 37.826 4.170 ( 4.393 0.000 9.782) 10.723 4.247 ( -3.624 0.000 8.234) 8.996 4.330 ( -30.294 0.000 6.102) 30.903 4.909 ( 14.025 0.000 -4.522) 14.736 5.146 ( -10.044 0.000 -7.849) 12.747 5.624 ( 5.021 0.000 4.678) 6.863 5.693 ( -1.645 0.000 4.983) 5.248 5.706 ( 2.274 0.000 13.588) 13.777 5.744 ( -1.485 0.000 13.767) 13.847 5.918 ( 5.054 0.000 2.580) 5.675 5.993 ( -2.496 0.000 1.612) 2.971 6.650 ( 11.281 0.000 -7.712) 13.665 6.772 ( 4.802 0.000 -8.240) 9.537 6.839 ( -6.742 0.000 -7.186) 9.854 6.847 ( -3.059 0.000 -6.997) 7.637 6.993 ( 14.605 0.000 1.923) 14.731 7.291 ( -13.828 0.000 2.088) 13.985 7.325 ( 9.260 0.000 13.438) 16.320 7.461 ( 14.670 0.000 -4.181) 15.254 7.502 ( -8.676 0.000 11.554) 14.449 7.836 ( -20.911 0.000 -4.483) 21.386 8.371 ( 9.943 0.000 4.748) 11.018 8.569 ( -10.643 0.000 2.795) 11.003 9.806 ( 0.761 0.000 1.092) 1.331 9.840 ( -2.549 0.000 -0.293) 2.566 10.210 ( 2.099 0.000 -6.776) 7.094 10.259 ( -2.882 0.000 -5.602) 6.300 16.577 ( 3.656 0.000 2.232) 4.283 16.648 ( -3.593 0.000 2.041) 4.132 16.890 ( 4.093 0.000 -1.593) 4.392 16.972 ( -4.283 0.000 -1.938) 4.701 17.195 ( 4.002 0.000 4.495) 6.018 17.270 ( -3.693 0.000 4.143) 5.550 17.983 ( 1.872 0.000 -5.878) 6.169 18.022 ( -2.056 0.000 -6.700) 7.008 20.900 ( 17.863 0.000 1.821) 17.955 21.220 ( -15.174 0.000 1.468) 15.245 21.466 ( 7.449 0.000 -8.637) 11.405 21.598 ( -6.481 0.000 -4.834) 8.085 27.592 ( 2.250 0.000 0.079) 2.251 27.634 ( -2.063 0.000 -0.808) 2.216 27.699 ( 0.256 0.000 -1.136) 1.165 27.708 ( -0.614 0.000 -0.966) 1.145 37.132 ( 6.903 0.000 1.753) 7.122 37.267 ( -6.705 0.000 1.063) 6.789 37.409 ( 5.469 0.000 -1.217) 5.603 37.524 ( -6.097 0.000 -1.613) 6.307 38.250 ( 2.630 0.000 9.312) 9.677 38.325 ( -5.489 0.000 17.111) 17.970 38.927 ( 22.415 0.000 -1.925) 22.497 39.387 ( -25.127 0.000 -2.567) 25.258 ======================= Grid point 108 (36/120) ======================= q-point: ( 0.00 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 0.000 17.410 24.434) 30.002 1.007 ( 0.000 24.572 22.622) 33.400 1.612 ( 0.000 48.019 29.311) 56.258 2.872 ( 0.000 3.707 -13.745) 14.236 2.981 ( 0.000 2.046 -18.949) 19.059 3.375 ( 0.000 -6.443 3.500) 7.332 3.428 ( 0.000 11.777 -1.223) 11.840 3.596 ( 0.000 3.348 -2.882) 4.418 3.645 ( 0.000 3.232 -1.978) 3.790 4.096 ( 0.000 15.510 5.530) 16.467 4.244 ( 0.000 -4.010 6.340) 7.502 4.471 ( 0.000 7.145 -4.694) 8.549 4.856 ( 0.000 -4.685 -15.077) 15.788 5.357 ( 0.000 0.232 5.249) 5.255 5.405 ( 0.000 11.657 3.763) 12.249 5.542 ( 0.000 1.886 5.309) 5.634 5.551 ( 0.000 -4.024 -6.104) 7.311 5.666 ( 0.000 9.924 9.121) 13.479 5.763 ( 0.000 -3.942 21.533) 21.891 6.037 ( 0.000 8.241 5.955) 10.168 6.068 ( 0.000 -4.198 -15.136) 15.708 6.329 ( 0.000 20.753 -5.343) 21.430 6.585 ( 0.000 4.020 2.917) 4.967 6.746 ( 0.000 11.542 -2.878) 11.895 6.820 ( 0.000 2.461 -5.779) 6.281 7.108 ( 0.000 26.288 -14.812) 30.173 7.140 ( 0.000 -5.510 4.112) 6.875 7.541 ( 0.000 6.569 -12.942) 14.513 8.105 ( 0.000 -0.443 6.582) 6.597 8.227 ( 0.000 3.095 9.755) 10.234 8.746 ( 0.000 -4.040 -4.996) 6.425 9.185 ( 0.000 -3.525 -4.951) 6.078 9.822 ( 0.000 -8.359 5.406) 9.955 10.027 ( 0.000 -3.824 6.210) 7.293 10.144 ( 0.000 -2.237 -5.142) 5.607 10.984 ( 0.000 -13.252 -1.508) 13.338 16.532 ( 0.000 11.794 2.870) 12.138 16.808 ( 0.000 5.817 1.934) 6.130 16.913 ( 0.000 2.138 1.961) 2.901 16.991 ( 0.000 4.736 1.337) 4.921 17.193 ( 0.000 1.577 -2.258) 2.754 17.520 ( 0.000 -7.906 9.138) 12.083 17.904 ( 0.000 -3.626 -4.401) 5.703 18.044 ( 0.000 -8.858 -6.247) 10.839 19.872 ( 0.000 0.023 0.131) 0.133 19.888 ( 0.000 -0.044 -0.100) 0.109 21.783 ( 0.000 -0.154 0.794) 0.809 21.893 ( 0.000 -0.698 -0.860) 1.108 27.443 ( 0.000 -3.608 1.902) 4.079 27.631 ( 0.000 -2.242 0.819) 2.387 27.694 ( 0.000 -4.044 -1.854) 4.449 27.723 ( 0.000 -2.661 -0.567) 2.721 36.880 ( 0.000 4.919 2.088) 5.343 37.172 ( 0.000 4.695 -1.937) 5.078 37.778 ( 0.000 -2.243 -0.070) 2.245 37.873 ( 0.000 11.371 -9.572) 14.864 37.982 ( 0.000 -0.461 1.818) 1.876 38.338 ( 0.000 12.537 -2.900) 12.868 40.624 ( 0.000 -11.995 2.625) 12.279 40.790 ( 0.000 -13.916 8.065) 16.084 ======================= Grid point 109 (37/120) ======================= q-point: ( 0.11 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 12.091 17.083 14.878) 25.678 1.184 ( 14.653 25.412 16.717) 33.763 1.846 ( 22.632 36.199 27.667) 50.873 2.841 ( -3.435 2.475 -12.990) 13.663 2.946 ( -2.713 4.717 -16.024) 16.923 3.229 ( -10.158 -1.038 1.828) 10.373 3.425 ( -4.700 10.584 -1.717) 11.708 3.537 ( -3.596 2.693 0.632) 4.537 3.712 ( 2.257 -0.262 -7.912) 8.232 4.076 ( 1.105 10.013 9.090) 13.569 4.209 ( -1.818 1.510 4.799) 5.350 4.469 ( -0.119 7.729 -2.159) 8.026 5.027 ( 11.420 -6.043 -18.164) 22.290 5.365 ( 0.486 -0.968 0.188) 1.100 5.460 ( 0.876 3.912 -0.169) 4.012 5.502 ( 0.909 4.383 3.295) 5.558 5.624 ( 6.582 4.808 6.396) 10.361 5.706 ( 3.894 10.470 9.098) 14.407 5.746 ( -0.878 -1.866 14.906) 15.048 6.049 ( 1.195 7.270 5.182) 9.007 6.110 ( 4.451 -4.569 -7.223) 9.637 6.347 ( 2.189 19.994 -4.952) 20.714 6.656 ( 4.389 0.852 -1.794) 4.818 6.777 ( -0.281 15.116 -2.576) 15.337 6.858 ( 7.727 2.730 -5.569) 9.908 7.043 ( -2.096 3.700 -0.644) 4.301 7.336 ( 13.420 6.270 -6.636) 16.231 7.509 ( -3.176 6.489 -12.725) 14.633 8.056 ( -5.013 0.199 6.137) 7.926 8.196 ( -2.972 2.667 10.163) 10.920 8.682 ( -6.625 -3.791 -4.875) 9.057 9.121 ( -6.355 -3.140 -4.152) 8.216 9.809 ( -1.366 -8.507 5.530) 10.238 9.996 ( -3.013 -2.811 3.897) 5.672 10.142 ( -0.390 -3.120 -4.573) 5.550 10.730 ( -19.283 -3.806 6.429) 20.680 16.539 ( 0.771 11.283 2.812) 11.654 16.804 ( -0.120 6.399 1.001) 6.478 16.886 ( -2.269 4.264 1.934) 5.203 17.001 ( 1.256 1.601 3.725) 4.245 17.180 ( -1.336 1.778 -2.233) 3.152 17.437 ( -5.001 -3.297 8.794) 10.640 17.903 ( -0.068 -3.571 -4.322) 5.607 18.038 ( -0.667 -8.481 -6.627) 10.784 19.975 ( 9.003 -0.215 0.306) 9.010 20.320 ( 33.177 -14.863 -14.754) 39.234 21.751 ( -3.451 -0.177 0.812) 3.550 21.869 ( -2.463 -0.789 -0.988) 2.768 27.452 ( 0.861 -3.621 1.816) 4.141 27.642 ( 0.789 -3.177 -0.285) 3.285 27.693 ( -0.175 -3.985 -1.734) 4.349 27.708 ( -1.400 -2.686 -0.535) 3.076 36.905 ( 2.551 5.273 2.057) 6.208 37.194 ( 2.253 4.951 -1.971) 5.786 37.766 ( -1.418 -0.586 -0.263) 1.557 37.858 ( -1.857 12.772 -9.703) 16.147 38.036 ( 5.826 -1.881 1.844) 6.393 38.321 ( -1.740 11.218 -2.310) 11.585 39.979 ( -60.603 14.005 37.430) 72.594 40.518 ( -11.446 -11.505 2.213) 16.379 ======================= Grid point 110 (38/120) ======================= q-point: ( 0.22 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 21.937 11.576 2.031) 24.887 1.514 ( 19.327 23.371 9.560) 31.798 2.376 ( 28.976 19.592 17.791) 39.243 2.762 ( -2.308 4.502 -7.192) 8.793 2.901 ( -2.205 6.298 -9.161) 11.333 3.018 ( -11.578 0.111 -0.537) 11.591 3.272 ( -10.125 8.448 -5.334) 14.225 3.453 ( -5.401 9.809 0.401) 11.205 3.633 ( -10.050 -3.456 -7.533) 13.026 4.158 ( 3.966 13.342 5.388) 14.926 4.242 ( 6.843 -1.888 3.953) 8.125 4.478 ( 1.739 8.765 3.274) 9.517 5.152 ( -2.795 -5.217 -15.497) 16.589 5.265 ( -6.328 -5.925 -6.829) 11.036 5.504 ( 5.897 5.182 5.142) 9.384 5.617 ( 6.972 5.736 7.928) 12.015 5.734 ( 3.227 13.475 9.272) 16.672 5.746 ( 2.336 4.812 12.165) 13.289 5.832 ( 8.195 7.994 4.118) 12.167 6.081 ( 1.994 6.154 3.594) 7.400 6.244 ( 9.547 -6.642 -1.376) 11.711 6.419 ( 5.506 16.834 -4.733) 18.333 6.716 ( 1.678 1.818 -5.808) 6.313 6.809 ( 5.444 10.036 -2.259) 11.639 6.974 ( -0.045 5.712 -4.978) 7.577 7.073 ( 7.872 3.704 4.710) 9.893 7.412 ( -5.611 5.398 -12.067) 14.361 7.556 ( 5.414 -0.568 -1.331) 5.604 7.927 ( -7.526 3.621 4.811) 9.639 8.139 ( -1.644 0.704 10.245) 10.400 8.495 ( -12.678 -2.979 -4.410) 13.750 8.962 ( -9.666 -2.226 -2.271) 10.176 9.771 ( -2.284 -8.310 4.922) 9.924 9.924 ( -4.061 -2.336 0.779) 4.749 10.128 ( -0.919 -4.716 -4.841) 6.820 10.431 ( -10.929 -1.319 4.909) 12.053 16.561 ( 1.556 9.964 2.620) 10.419 16.806 ( -0.371 6.136 -0.335) 6.156 16.849 ( -0.731 4.738 2.144) 5.251 17.040 ( 2.666 -0.239 4.592) 5.315 17.143 ( -2.448 2.318 -1.964) 3.902 17.369 ( -2.635 -1.643 5.901) 6.668 17.904 ( 0.288 -3.487 -4.360) 5.591 18.021 ( -1.062 -7.359 -7.135) 10.305 20.215 ( 15.411 -0.377 1.136) 15.457 20.855 ( 21.526 -16.695 -17.063) 32.144 21.649 ( -7.171 -0.235 0.883) 7.229 21.800 ( -4.664 -1.157 -1.435) 5.015 27.476 ( 1.579 -3.668 1.538) 4.280 27.650 ( -0.173 -4.145 -1.445) 4.393 27.678 ( -1.324 -2.622 -0.513) 2.982 27.688 ( -0.324 -3.959 -1.430) 4.222 36.977 ( 4.970 6.360 1.932) 8.300 37.258 ( 4.283 5.669 -2.104) 7.410 37.716 ( -4.034 5.633 -1.437) 7.076 37.801 ( -3.874 11.990 -7.472) 14.649 38.207 ( 11.799 -2.894 0.809) 12.176 38.280 ( -2.132 7.490 -0.381) 7.797 39.025 ( -36.004 17.420 42.752) 58.545 40.212 ( -19.777 -10.257 0.159) 22.279 ======================= Grid point 111 (39/120) ======================= q-point: ( 0.33 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 23.110 8.203 -1.757) 24.586 1.906 ( 20.847 17.136 2.787) 27.130 2.614 ( 0.286 2.875 -12.125) 12.464 2.770 ( -12.064 -0.184 -2.981) 12.428 2.833 ( -8.116 8.641 0.089) 11.856 3.039 ( 9.120 5.867 3.554) 11.412 3.141 ( 14.955 12.896 2.867) 19.954 3.331 ( -7.463 10.890 -1.042) 13.243 3.387 ( -13.296 4.280 -7.270) 15.746 4.215 ( 2.367 11.973 5.695) 13.468 4.343 ( 1.148 2.971 4.276) 5.332 4.601 ( 11.261 2.215 3.431) 11.979 4.879 ( -19.379 0.151 -2.520) 19.543 5.218 ( -3.758 -6.022 -11.221) 13.278 5.611 ( 4.492 1.733 8.636) 9.887 5.719 ( 2.257 -0.508 10.968) 11.209 5.804 ( 5.390 11.283 7.823) 14.750 5.825 ( 5.397 21.482 5.889) 22.919 5.957 ( 4.151 12.094 4.314) 13.495 6.113 ( 0.846 7.253 2.189) 7.623 6.467 ( 12.800 -6.081 -1.628) 14.264 6.565 ( 9.907 9.939 -3.668) 14.505 6.752 ( 2.459 0.757 -5.648) 6.206 6.924 ( 0.033 0.050 -2.862) 2.863 6.988 ( 7.171 11.116 -2.207) 13.411 7.220 ( 3.865 5.414 -0.084) 6.652 7.330 ( 1.781 6.634 -5.159) 8.590 7.487 ( -11.337 -5.523 5.040) 13.581 7.789 ( -7.489 8.360 5.635) 12.559 8.161 ( -4.494 -3.287 0.754) 5.619 8.230 ( -6.249 0.424 2.308) 6.675 8.765 ( -10.571 -1.291 0.200) 10.652 9.735 ( -1.198 -7.520 2.916) 8.154 9.848 ( -3.806 -4.004 -0.622) 5.559 10.118 ( 0.211 -6.008 -6.212) 8.644 10.284 ( -5.397 -3.661 -1.105) 6.614 16.599 ( 2.339 8.341 2.355) 8.977 16.768 ( -2.880 5.183 1.458) 6.105 16.877 ( 2.784 5.230 -0.557) 5.951 17.075 ( -1.948 2.008 -1.274) 3.074 17.113 ( 2.224 0.252 4.011) 4.593 17.318 ( -2.879 -1.383 4.475) 5.497 17.917 ( 1.034 -3.573 -4.852) 6.114 17.998 ( -1.256 -6.030 -7.095) 9.395 20.544 ( 18.263 -0.450 1.661) 18.344 21.178 ( 13.256 -11.233 -11.847) 21.030 21.472 ( -11.298 -0.299 1.076) 11.353 21.694 ( -6.326 -2.052 -2.425) 7.079 27.511 ( 2.034 -3.765 1.034) 4.402 27.629 ( -1.732 -4.065 -1.041) 4.540 27.666 ( -0.162 -3.024 -1.009) 3.192 27.681 ( -0.445 -3.769 -1.142) 3.964 37.094 ( 7.088 8.220 1.585) 10.970 37.354 ( 5.555 6.717 -2.460) 9.057 37.603 ( -7.529 13.269 -1.956) 15.381 37.716 ( -4.895 8.969 -3.575) 10.825 38.244 ( -0.940 3.141 3.239) 4.608 38.486 ( 14.270 -2.140 2.023) 14.570 38.550 ( -13.148 4.848 27.188) 30.587 39.785 ( -23.977 -8.613 -1.555) 25.525 ======================= Grid point 112 (40/120) ======================= q-point: ( 0.44 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 21.140 6.705 -1.882) 22.257 2.275 ( 16.494 10.541 -1.982) 19.675 2.514 ( -14.352 1.640 -6.568) 15.869 2.555 ( -14.172 7.756 1.229) 16.202 2.724 ( 7.495 4.138 -7.344) 11.280 2.953 ( -11.463 0.148 -7.651) 13.782 3.157 ( -2.018 12.484 -7.607) 14.758 3.217 ( -5.814 15.221 -6.063) 17.385 3.726 ( 30.111 4.824 11.350) 32.538 4.176 ( -11.826 0.616 5.196) 12.932 4.350 ( 2.180 12.669 8.479) 15.399 4.489 ( -15.129 12.256 5.697) 20.287 4.864 ( 12.957 -4.231 -2.866) 13.928 5.087 ( -9.653 -5.812 -7.270) 13.409 5.681 ( 2.934 -0.309 11.466) 11.840 5.723 ( -1.269 -0.879 12.004) 12.103 5.884 ( 3.214 22.324 5.222) 23.150 5.914 ( 1.153 19.528 4.796) 20.142 6.026 ( 4.409 10.152 2.882) 11.437 6.099 ( -2.406 8.859 1.745) 9.344 6.680 ( 8.543 -0.399 -5.923) 10.403 6.772 ( 2.034 1.953 -4.904) 5.657 6.806 ( 8.758 0.056 -4.568) 9.878 6.932 ( 3.038 2.059 -0.979) 3.798 7.002 ( -3.685 8.469 -4.232) 10.159 7.207 ( -15.808 -5.873 5.848) 17.848 7.374 ( 13.358 0.701 -0.108) 13.377 7.491 ( 10.259 7.390 1.988) 12.799 7.630 ( -7.426 7.965 7.569) 13.262 7.837 ( -18.839 0.523 -2.893) 19.067 8.365 ( 9.868 -0.586 4.539) 10.878 8.562 ( -10.501 -0.758 2.498) 10.821 9.735 ( 1.265 -6.643 0.826) 6.813 9.780 ( -3.200 -5.614 -0.428) 6.476 10.142 ( 2.262 -6.380 -6.739) 9.552 10.200 ( -3.658 -5.550 -5.053) 8.350 16.650 ( 2.927 6.848 2.116) 7.742 16.709 ( -3.160 5.723 1.896) 6.807 16.940 ( 3.631 4.625 -1.518) 6.073 17.012 ( -3.738 3.785 -1.980) 5.676 17.181 ( 3.942 -0.984 4.585) 6.126 17.255 ( -3.661 -1.235 4.248) 5.743 17.942 ( 1.525 -4.008 -5.667) 7.106 17.972 ( -1.500 -4.851 -6.508) 8.254 20.896 ( 17.896 -0.421 1.676) 17.980 21.216 ( -15.197 -0.361 1.354) 15.262 21.394 ( 9.600 -6.710 -7.283) 13.792 21.559 ( -7.751 -3.783 -4.273) 9.626 27.552 ( 2.164 -3.900 0.330) 4.473 27.592 ( -2.033 -4.005 -0.418) 4.511 27.666 ( 0.179 -3.225 -1.045) 3.395 27.672 ( -0.435 -3.476 -1.006) 3.645 37.246 ( 8.587 10.729 0.681) 13.759 37.406 ( -6.001 11.549 -2.202) 13.200 37.503 ( 3.235 10.002 -0.365) 10.519 37.611 ( -5.988 8.698 -1.997) 10.746 38.252 ( 2.003 0.362 8.832) 9.063 38.333 ( -6.793 1.064 17.311) 18.626 38.871 ( 21.745 -5.513 -1.720) 22.499 39.317 ( -24.293 -6.959 -2.203) 25.366 ======================= Grid point 117 (41/120) ======================= q-point: ( 0.00 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 0.000 23.122 15.794) 28.001 1.498 ( 0.000 26.266 11.701) 28.755 2.575 ( 0.000 41.937 11.761) 43.555 2.908 ( 0.000 0.676 -7.766) 7.795 3.073 ( 0.000 9.496 -12.464) 15.670 3.308 ( 0.000 -0.216 -1.470) 1.486 3.662 ( 0.000 3.156 -4.156) 5.218 3.699 ( 0.000 4.356 -3.869) 5.826 3.727 ( 0.000 12.457 -4.100) 13.114 4.093 ( 0.000 -7.825 7.383) 10.758 4.471 ( 0.000 19.405 -0.968) 19.429 4.638 ( 0.000 8.714 -3.376) 9.345 4.752 ( 0.000 -5.205 -13.516) 14.484 5.233 ( 0.000 -11.592 -10.170) 15.421 5.477 ( 0.000 0.076 2.941) 2.942 5.524 ( 0.000 0.074 6.669) 6.669 5.559 ( 0.000 3.271 7.096) 7.814 5.846 ( 0.000 7.729 17.569) 19.194 5.935 ( 0.000 7.943 12.601) 14.896 5.977 ( 0.000 -3.769 -12.897) 13.436 6.469 ( 0.000 36.319 5.615) 36.750 6.698 ( 0.000 7.672 0.059) 7.672 6.712 ( 0.000 1.755 -5.548) 5.819 6.894 ( 0.000 18.645 -2.114) 18.765 7.003 ( 0.000 -2.576 1.085) 2.795 7.130 ( 0.000 19.165 -1.850) 19.254 7.418 ( 0.000 8.864 0.069) 8.865 7.730 ( 0.000 12.816 -8.039) 15.129 8.076 ( 0.000 -2.688 6.364) 6.909 8.284 ( 0.000 2.023 9.077) 9.299 8.643 ( 0.000 -6.089 -5.536) 8.229 9.081 ( 0.000 -6.886 -2.792) 7.430 9.650 ( 0.000 -6.861 3.269) 7.600 9.951 ( 0.000 -3.181 4.584) 5.580 10.089 ( 0.000 -3.106 -8.110) 8.685 10.793 ( 0.000 -7.293 -5.415) 9.084 16.798 ( 0.000 -3.665 1.154) 3.843 16.820 ( 0.000 15.842 3.429) 16.209 16.980 ( 0.000 6.759 3.140) 7.453 17.198 ( 0.000 10.171 -1.097) 10.230 17.229 ( 0.000 1.581 -1.922) 2.489 17.425 ( 0.000 -1.589 8.627) 8.772 17.800 ( 0.000 -8.233 -6.216) 10.316 17.827 ( 0.000 -10.275 -3.898) 10.990 19.873 ( 0.000 0.049 0.118) 0.128 19.887 ( 0.000 -0.088 -0.084) 0.122 21.780 ( 0.000 -0.182 0.677) 0.701 21.874 ( 0.000 -1.185 -0.757) 1.406 27.351 ( 0.000 -5.403 1.871) 5.718 27.572 ( 0.000 -3.580 0.713) 3.650 27.584 ( 0.000 -6.884 -1.609) 7.070 27.652 ( 0.000 -4.414 -0.493) 4.441 37.011 ( 0.000 7.915 2.174) 8.208 37.287 ( 0.000 6.407 -0.810) 6.458 37.727 ( 0.000 -2.776 1.036) 2.963 37.896 ( 0.000 -3.673 1.128) 3.843 38.066 ( 0.000 5.513 -5.606) 7.862 38.654 ( 0.000 18.181 -6.900) 19.446 40.309 ( 0.000 -18.847 5.009) 19.501 40.597 ( 0.000 -6.925 4.226) 8.113 ======================= Grid point 118 (42/120) ======================= q-point: ( 0.11 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 8.845 22.319 9.041) 25.654 1.634 ( 12.613 22.950 12.006) 28.808 2.648 ( 6.844 33.924 8.189) 35.563 2.910 ( 0.518 4.339 -6.284) 7.654 3.054 ( -1.487 11.137 -8.999) 14.395 3.251 ( -5.488 2.914 -1.346) 6.358 3.543 ( -7.932 1.809 -0.587) 8.156 3.666 ( -5.936 6.034 -6.397) 10.610 3.764 ( 1.763 5.479 -7.084) 9.127 4.099 ( 2.529 -1.244 8.441) 8.900 4.455 ( 0.675 17.083 0.323) 17.100 4.644 ( 0.484 8.893 -1.179) 8.983 4.907 ( 10.799 -5.065 -16.198) 20.116 5.204 ( -3.213 -11.439 -10.104) 15.597 5.503 ( 1.934 1.841 4.249) 5.018 5.548 ( 4.164 0.094 8.426) 9.399 5.640 ( 6.973 0.855 6.519) 9.583 5.813 ( -0.864 5.646 9.812) 11.353 5.969 ( 4.362 6.131 6.568) 9.988 6.107 ( 9.406 3.072 -0.461) 9.905 6.469 ( 0.036 36.122 5.170) 36.490 6.656 ( -0.632 0.076 -3.078) 3.143 6.770 ( 2.109 9.880 -2.048) 10.309 6.940 ( 3.881 7.818 -0.814) 8.766 6.993 ( -0.462 6.018 -0.590) 6.065 7.164 ( 4.181 18.352 -2.051) 18.934 7.481 ( 5.422 6.217 0.187) 8.251 7.697 ( -3.272 13.145 -7.619) 15.541 8.033 ( -4.026 -2.543 6.275) 7.877 8.256 ( -2.880 2.791 8.827) 9.696 8.583 ( -6.150 -5.942 -5.051) 9.932 9.028 ( -5.260 -6.154 -2.638) 8.515 9.635 ( -1.511 -7.067 3.139) 7.879 9.929 ( -2.307 -3.282 3.417) 5.270 10.073 ( -1.717 -3.559 -8.248) 9.146 10.657 ( -12.356 -3.752 -2.562) 13.165 16.791 ( -0.471 4.452 1.520) 4.728 16.833 ( 1.187 7.191 2.714) 7.777 16.978 ( -0.203 6.917 2.384) 7.319 17.179 ( -1.772 11.069 0.696) 11.231 17.220 ( -0.888 1.884 -2.067) 2.934 17.386 ( -2.860 -1.008 7.763) 8.334 17.805 ( 0.381 -7.088 -5.356) 8.892 17.827 ( 0.084 -10.754 -4.830) 11.789 19.970 ( 8.829 -0.287 0.241) 8.837 20.111 ( 21.071 -6.678 -3.364) 22.359 21.746 ( -3.509 -0.213 0.694) 3.583 21.848 ( -2.731 -1.326 -0.855) 3.154 27.359 ( 0.832 -5.415 1.800) 5.766 27.570 ( -0.283 -4.003 0.380) 4.031 27.584 ( -0.024 -6.756 -1.480) 6.917 27.637 ( -1.387 -4.366 -0.453) 4.603 37.044 ( 3.489 8.433 2.095) 9.363 37.317 ( 3.056 6.932 -0.921) 7.632 37.733 ( 0.640 -2.107 1.178) 2.498 37.945 ( 4.925 -3.356 -0.184) 5.963 38.057 ( -0.737 4.876 -4.894) 6.947 38.613 ( -4.214 17.197 -6.257) 18.779 40.171 ( -28.939 -0.925 8.524) 30.182 40.229 ( -18.027 -10.975 7.190) 22.296 ======================= Grid point 119 (43/120) ======================= q-point: ( 0.22 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 15.791 17.628 0.028) 23.666 1.921 ( 16.230 18.864 9.297) 26.566 2.732 ( -0.895 8.895 -9.093) 12.751 2.940 ( -0.619 4.442 -1.552) 4.746 3.075 ( 3.672 17.275 2.840) 17.888 3.146 ( 0.115 17.750 1.815) 17.843 3.375 ( -9.131 2.418 -2.715) 9.828 3.524 ( -7.485 -0.847 -3.820) 8.446 3.763 ( -1.947 11.601 -8.465) 14.493 4.206 ( 7.870 1.006 5.592) 9.707 4.487 ( 1.441 16.239 0.272) 16.305 4.659 ( 1.364 8.238 3.807) 9.177 5.042 ( 0.441 -4.626 -15.480) 16.163 5.118 ( -3.839 -7.469 -7.396) 11.190 5.559 ( 3.381 1.705 6.393) 7.430 5.638 ( 4.598 0.270 10.782) 11.724 5.829 ( 12.518 -3.705 4.565) 13.829 5.861 ( 6.266 9.126 7.732) 13.503 6.079 ( 6.556 4.172 3.599) 8.564 6.278 ( 7.974 9.728 0.921) 12.612 6.476 ( 0.877 34.829 4.790) 35.167 6.679 ( 2.538 -2.705 -3.215) 4.908 6.793 ( 0.688 6.435 0.845) 6.527 6.981 ( 1.375 1.513 -2.723) 3.405 7.026 ( 3.443 17.185 -1.776) 17.616 7.306 ( 9.951 14.708 -1.587) 17.829 7.545 ( -1.642 4.057 -1.158) 4.527 7.614 ( -5.211 11.828 -4.074) 13.552 7.964 ( -1.293 -0.390 5.137) 5.312 8.177 ( -5.119 3.118 7.727) 9.780 8.415 ( -10.805 -4.767 -3.224) 12.242 8.895 ( -8.179 -4.502 -1.968) 9.541 9.599 ( -1.967 -7.376 2.525) 8.041 9.863 ( -4.516 -3.475 1.010) 5.787 10.027 ( -2.750 -4.770 -8.397) 10.041 10.403 ( -12.563 -1.549 0.483) 12.667 16.785 ( -0.123 8.427 1.458) 8.553 16.858 ( 1.112 2.320 2.041) 3.284 16.972 ( -0.216 7.251 0.500) 7.272 17.151 ( -0.608 10.337 3.897) 11.064 17.194 ( -1.786 2.493 -2.251) 3.803 17.341 ( -2.000 -0.454 5.634) 5.996 17.812 ( 0.452 -5.489 -3.848) 6.719 17.834 ( 0.537 -10.636 -6.495) 12.474 20.206 ( 15.254 -0.456 0.865) 15.285 20.550 ( 22.480 -12.654 -6.561) 26.618 21.644 ( -7.257 -0.296 0.751) 7.302 21.770 ( -5.420 -1.859 -1.181) 5.850 27.382 ( 1.508 -5.455 1.581) 5.877 27.559 ( -0.963 -4.809 -0.079) 4.905 27.583 ( -0.096 -6.531 -1.311) 6.662 27.608 ( -1.395 -4.348 -0.445) 4.588 37.144 ( 6.856 9.977 1.754) 12.233 37.402 ( 5.693 8.394 -1.332) 10.229 37.750 ( 1.055 0.150 1.606) 1.927 37.998 ( -1.777 6.005 -8.199) 10.317 38.124 ( 9.957 -5.063 1.467) 11.267 38.500 ( -7.170 14.119 -4.222) 16.389 39.419 ( -38.676 18.790 19.378) 47.164 39.941 ( -17.802 -16.364 2.414) 24.300 ======================= Grid point 120 (44/120) ======================= q-point: ( 0.33 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 19.112 11.765 -4.729) 22.936 2.232 ( 15.538 14.744 4.737) 21.937 2.669 ( -3.735 2.166 -11.110) 11.919 2.829 ( -7.795 5.890 -2.759) 10.152 3.005 ( -9.023 7.313 -0.404) 11.622 3.161 ( -6.687 6.046 -5.557) 10.590 3.365 ( 0.138 4.399 -1.118) 4.541 3.516 ( 16.411 19.975 7.733) 26.984 3.690 ( -5.416 16.545 -8.489) 19.369 4.355 ( 4.472 0.819 1.671) 4.844 4.491 ( 0.880 9.856 -0.427) 9.904 4.708 ( 3.782 8.761 8.340) 12.674 4.917 ( -9.150 4.406 -2.487) 10.455 5.071 ( -4.210 -6.560 -9.583) 12.352 5.619 ( 3.087 0.384 9.395) 9.897 5.712 ( 2.362 0.904 10.062) 10.375 6.022 ( 9.861 10.343 4.538) 14.994 6.103 ( 14.429 0.004 3.915) 14.951 6.194 ( 4.762 2.651 1.276) 5.597 6.407 ( 4.800 20.120 0.374) 20.688 6.519 ( 4.498 22.816 4.453) 23.678 6.726 ( 1.944 -1.340 -2.638) 3.540 6.799 ( 0.096 -0.393 3.096) 3.123 7.033 ( 3.938 17.444 -4.524) 18.447 7.130 ( 8.208 3.417 -3.836) 9.683 7.405 ( -11.195 2.160 2.861) 11.755 7.467 ( -8.426 13.380 -4.853) 16.540 7.514 ( 9.495 13.535 0.850) 16.555 7.947 ( -5.574 7.670 4.326) 10.421 8.075 ( -6.583 -5.366 -0.906) 8.541 8.238 ( -2.319 0.770 4.679) 5.279 8.725 ( -9.362 -2.766 -0.387) 9.770 9.572 ( -0.532 -7.413 1.414) 7.566 9.761 ( -5.740 -4.168 -0.594) 7.118 9.985 ( -1.163 -6.446 -7.802) 10.186 10.202 ( -8.425 -4.079 -0.607) 9.380 16.789 ( 0.566 8.700 1.259) 8.809 16.862 ( -0.827 3.357 1.548) 3.787 16.985 ( 1.794 5.601 -1.049) 5.975 17.151 ( -2.452 4.064 -2.529) 5.378 17.162 ( 1.348 6.596 5.384) 8.620 17.301 ( -2.276 0.567 4.757) 5.304 17.824 ( 0.749 -5.403 -4.032) 6.783 17.844 ( 0.436 -8.902 -6.465) 11.010 20.533 ( 18.239 -0.546 1.285) 18.292 20.938 ( 17.736 -11.747 -6.278) 22.180 21.465 ( -11.381 -0.387 0.893) 11.422 21.641 ( -7.913 -3.082 -1.859) 8.693 27.415 ( 1.921 -5.525 1.215) 5.975 27.531 ( -1.815 -5.344 -0.061) 5.644 27.581 ( -0.117 -6.083 -1.171) 6.196 27.589 ( -0.572 -4.731 -0.641) 4.809 37.304 ( 9.719 12.354 0.744) 15.737 37.527 ( 6.961 10.215 -2.356) 12.584 37.769 ( 0.628 5.252 2.181) 5.721 37.937 ( -4.338 8.823 -8.633) 13.084 38.349 ( -2.503 4.690 0.194) 5.319 38.383 ( 11.061 -3.752 -0.228) 11.682 38.783 ( -26.887 16.280 20.505) 37.528 39.555 ( -21.707 -14.012 0.324) 25.838 ======================= Grid point 121 (45/120) ======================= q-point: ( 0.44 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 17.610 7.303 -6.317) 20.083 2.465 ( 5.657 6.579 -0.794) 8.713 2.596 ( -3.368 5.389 -8.848) 10.893 2.715 ( -9.513 9.428 -1.061) 13.435 2.822 ( 0.822 4.302 -2.747) 5.170 2.992 ( -11.012 4.536 -3.357) 12.373 3.415 ( 5.944 12.745 -6.285) 15.404 3.553 ( -7.574 16.573 -7.554) 19.725 3.911 ( 20.265 13.213 7.204) 25.242 4.245 ( -13.356 5.753 3.003) 14.849 4.608 ( 7.938 6.323 -1.035) 10.202 4.752 ( -7.603 11.358 0.644) 13.683 4.806 ( 6.529 4.347 6.794) 10.377 4.950 ( -7.722 -4.301 -1.687) 8.999 5.678 ( 2.912 0.675 9.863) 10.306 5.721 ( -1.208 1.115 9.908) 10.044 6.182 ( 5.916 7.492 1.587) 9.677 6.239 ( -0.062 4.595 0.902) 4.683 6.342 ( 8.885 15.383 3.402) 18.087 6.437 ( -1.492 27.060 2.627) 27.228 6.655 ( 7.347 1.232 -1.578) 7.615 6.735 ( -1.627 -3.170 -3.443) 4.955 6.849 ( 7.785 1.748 6.788) 10.475 7.087 ( -9.310 4.947 3.451) 11.093 7.156 ( -0.191 12.151 -2.915) 12.497 7.266 ( -4.729 7.734 -5.709) 10.713 7.407 ( 10.956 10.031 -3.307) 15.218 7.654 ( -3.856 6.571 -2.265) 7.948 7.767 ( -2.317 7.112 4.154) 8.556 7.903 ( -9.221 7.212 3.036) 12.093 8.349 ( 9.417 -0.926 3.970) 10.262 8.539 ( -9.960 -1.585 1.709) 10.229 9.587 ( 2.251 -6.930 0.247) 7.290 9.657 ( -4.816 -5.715 -0.575) 7.496 9.995 ( 2.303 -7.450 -6.361) 10.063 10.070 ( -5.396 -6.673 -3.725) 9.355 16.806 ( 1.275 7.593 1.132) 7.782 16.835 ( -1.632 5.879 1.190) 6.216 17.035 ( 3.086 3.947 -1.895) 5.357 17.096 ( -3.141 3.573 -2.374) 5.317 17.201 ( 2.519 4.623 5.339) 7.498 17.253 ( -2.687 2.276 4.931) 6.059 17.839 ( 0.687 -6.006 -4.857) 7.754 17.847 ( -0.144 -7.215 -5.738) 9.220 20.886 ( 17.959 -0.528 1.322) 18.015 21.207 ( -14.405 -0.689 0.841) 14.446 21.237 ( 12.663 -8.180 -4.363) 15.694 21.465 ( -10.456 -5.269 -3.022) 12.092 27.454 ( 2.066 -5.584 0.745) 6.000 27.493 ( -2.039 -5.547 0.276) 5.917 27.579 ( 0.027 -5.583 -1.011) 5.674 27.582 ( -0.238 -5.235 -0.848) 5.308 37.504 ( 10.291 14.122 -1.773) 17.564 37.627 ( 0.552 10.791 -4.364) 11.653 37.771 ( 0.820 14.877 1.191) 14.947 37.840 ( -5.095 12.774 -5.311) 14.743 38.271 ( -0.213 1.696 7.228) 7.427 38.390 ( -13.063 5.369 15.867) 21.242 38.725 ( 19.657 -8.775 -0.761) 21.541 39.130 ( -22.107 -11.465 -0.845) 24.917 ======================= Grid point 126 (46/120) ======================= q-point: ( 0.00 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 0.000 24.193 10.678) 26.445 2.021 ( 0.000 26.132 0.716) 26.142 2.921 ( 0.000 0.750 -6.060) 6.106 2.978 ( 0.000 4.630 -4.552) 6.493 3.272 ( 0.000 3.503 -3.034) 4.634 3.569 ( 0.000 20.921 -1.769) 20.996 3.711 ( 0.000 -1.581 -5.171) 5.407 3.742 ( 0.000 7.363 -2.867) 7.902 3.913 ( 0.000 3.844 -5.804) 6.961 3.973 ( 0.000 0.124 7.485) 7.486 4.619 ( 0.000 -8.307 -10.448) 13.348 4.777 ( 0.000 0.435 0.811) 0.920 4.842 ( 0.000 17.071 -4.331) 17.611 5.049 ( 0.000 -1.233 -13.889) 13.944 5.503 ( 0.000 3.367 0.895) 3.484 5.555 ( 0.000 2.323 6.313) 6.727 5.563 ( 0.000 -3.910 1.430) 4.163 5.982 ( 0.000 4.595 -3.208) 5.604 5.987 ( 0.000 3.808 9.518) 10.252 6.044 ( 0.000 7.426 19.233) 20.617 6.628 ( 0.000 -8.047 -0.430) 8.058 6.749 ( 0.000 -13.239 3.216) 13.624 6.881 ( 0.000 10.530 -3.563) 11.116 7.221 ( 0.000 35.582 4.300) 35.841 7.338 ( 0.000 10.969 -11.591) 15.959 7.546 ( 0.000 21.604 0.904) 21.623 7.547 ( 0.000 5.491 8.270) 9.927 7.989 ( 0.000 -2.417 2.871) 3.753 8.031 ( 0.000 13.018 1.196) 13.073 8.333 ( 0.000 4.878 8.179) 9.523 8.529 ( 0.000 -4.750 -6.530) 8.074 8.925 ( 0.000 -8.609 -0.165) 8.611 9.607 ( 0.000 2.583 0.805) 2.706 9.934 ( 0.000 2.277 3.096) 3.843 10.027 ( 0.000 -3.304 -6.837) 7.594 10.656 ( 0.000 -7.324 -5.973) 9.451 16.754 ( 0.000 -0.519 -4.007) 4.040 17.076 ( 0.000 7.421 0.204) 7.424 17.102 ( 0.000 4.620 1.435) 4.838 17.233 ( 0.000 -1.073 -1.131) 1.559 17.314 ( 0.000 2.833 0.995) 3.003 17.497 ( 0.000 7.844 9.076) 11.995 17.598 ( 0.000 -7.926 -5.333) 9.553 17.709 ( 0.000 -3.655 -0.394) 3.676 19.874 ( 0.000 0.080 0.095) 0.124 19.884 ( 0.000 -0.129 -0.056) 0.140 21.778 ( 0.000 0.007 0.490) 0.490 21.848 ( 0.000 -1.449 -0.571) 1.558 27.249 ( 0.000 -4.496 1.681) 4.800 27.437 ( 0.000 -7.699 -1.117) 7.780 27.500 ( 0.000 -3.435 0.540) 3.477 27.560 ( 0.000 -4.675 -0.356) 4.689 37.173 ( 0.000 8.192 2.339) 8.519 37.398 ( 0.000 4.218 0.704) 4.277 37.677 ( 0.000 -2.164 1.543) 2.658 37.811 ( 0.000 -4.640 2.635) 5.336 38.188 ( 0.000 7.857 -6.949) 10.489 38.976 ( 0.000 11.601 -16.003) 19.766 39.958 ( 0.000 -13.879 12.823) 18.895 40.472 ( 0.000 -6.564 2.856) 7.158 ======================= Grid point 127 (47/120) ======================= q-point: ( 0.11 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 5.931 22.527 6.886) 24.291 2.103 ( 8.056 24.099 1.485) 25.453 2.932 ( -4.624 3.114 -6.487) 8.553 2.961 ( 3.879 1.736 -6.509) 7.773 3.253 ( -2.082 3.330 -1.983) 4.400 3.521 ( -4.966 7.130 -1.260) 8.780 3.662 ( -6.176 11.371 -1.769) 13.060 3.706 ( -2.361 9.524 -2.416) 10.106 3.854 ( 0.903 4.080 -4.581) 6.201 4.100 ( 7.726 0.418 3.841) 8.638 4.646 ( 2.532 -5.760 -7.019) 9.426 4.741 ( -2.853 1.308 0.489) 3.176 4.954 ( 8.704 12.228 -8.668) 17.332 5.060 ( 1.466 1.612 -11.500) 11.705 5.532 ( 3.288 2.183 1.333) 4.166 5.577 ( 3.197 1.349 7.911) 8.639 5.628 ( 4.887 -0.820 3.045) 5.817 5.964 ( 1.334 8.770 5.717) 10.553 6.021 ( 2.813 0.788 7.915) 8.437 6.174 ( 10.747 3.424 7.818) 13.724 6.608 ( -1.410 -6.294 -1.026) 6.531 6.738 ( -0.925 -11.716 4.723) 12.666 6.909 ( 2.380 7.267 -4.083) 8.668 7.207 ( -1.464 32.739 3.510) 32.959 7.377 ( 3.948 11.283 -9.547) 15.298 7.545 ( -0.043 20.499 1.455) 20.550 7.583 ( 2.880 5.488 6.081) 8.682 7.957 ( -2.913 -3.231 3.811) 5.783 8.014 ( -1.670 15.665 0.902) 15.780 8.320 ( -1.493 5.171 7.426) 9.172 8.474 ( -5.544 -4.200 -5.635) 8.952 8.887 ( -3.790 -7.885 -0.599) 8.769 9.586 ( -2.056 2.334 0.791) 3.209 9.905 ( -2.995 1.785 2.778) 4.458 10.006 ( -2.094 -3.266 -7.002) 8.005 10.570 ( -8.473 -5.511 -4.860) 11.216 16.764 ( 1.106 -0.596 -3.689) 3.897 17.041 ( -2.441 5.444 0.415) 5.980 17.118 ( 0.526 6.639 0.767) 6.704 17.220 ( -1.122 -1.929 -1.146) 2.509 17.324 ( 0.836 3.646 1.266) 3.949 17.465 ( -2.801 8.728 8.714) 12.647 17.611 ( 1.311 -7.814 -5.220) 9.488 17.711 ( 0.286 -3.450 -0.573) 3.509 19.965 ( 8.742 -0.157 0.190) 8.746 20.025 ( 14.133 -2.680 -0.873) 14.412 21.744 ( -3.558 -0.006 0.504) 3.594 21.819 ( -3.034 -1.583 -0.635) 3.481 27.257 ( 0.807 -4.512 1.625) 4.863 27.439 ( 0.170 -7.579 -1.083) 7.658 27.493 ( -0.746 -3.593 0.463) 3.699 27.546 ( -1.299 -4.607 -0.319) 4.798 37.217 ( 4.508 8.640 2.225) 9.996 37.439 ( 4.223 4.778 0.611) 6.406 37.693 ( 1.740 -1.746 1.666) 2.975 37.855 ( 4.674 -5.059 2.170) 7.221 38.171 ( -1.782 7.420 -6.745) 10.185 38.922 ( -5.550 11.387 -14.955) 19.599 39.869 ( -9.087 -13.648 11.715) 20.151 40.240 ( -22.661 -0.974 4.897) 23.204 ======================= Grid point 128 (48/120) ======================= q-point: ( 0.22 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 9.777 17.881 0.773) 20.394 2.300 ( 11.556 19.770 0.866) 22.916 2.812 ( -7.170 0.223 -8.717) 11.289 3.035 ( 1.061 5.791 -6.139) 8.506 3.201 ( -1.922 3.293 -0.834) 3.904 3.393 ( -7.119 0.002 0.926) 7.179 3.491 ( -8.916 3.401 -8.511) 12.787 3.762 ( 6.971 26.054 6.038) 27.638 3.899 ( 2.503 3.438 -9.308) 10.233 4.244 ( 7.064 0.698 5.354) 8.891 4.651 ( -4.168 -6.654 1.050) 7.921 4.711 ( 1.518 0.785 -6.585) 6.803 5.100 ( 5.132 12.838 -9.611) 16.838 5.105 ( 2.812 7.857 -4.628) 9.543 5.601 ( 2.824 3.352 4.277) 6.124 5.657 ( 5.039 0.484 7.918) 9.398 5.779 ( 12.032 0.296 6.242) 13.558 6.042 ( 6.133 8.151 7.209) 12.491 6.099 ( 5.211 -0.824 4.043) 6.647 6.392 ( 10.086 -0.559 -0.511) 10.114 6.601 ( 1.144 -5.021 -1.519) 5.369 6.731 ( 1.164 -8.294 7.695) 11.373 6.959 ( 2.936 3.623 -5.021) 6.852 7.166 ( -2.797 28.122 3.691) 28.501 7.477 ( 5.514 9.572 -5.688) 12.425 7.541 ( -0.426 17.401 0.346) 17.410 7.601 ( -2.619 4.691 2.577) 5.959 7.927 ( 1.574 -2.482 4.980) 5.782 7.975 ( -2.050 19.532 1.133) 19.672 8.251 ( -7.273 4.209 1.560) 8.547 8.347 ( -5.656 -0.269 0.797) 5.719 8.790 ( -6.061 -6.009 -1.220) 8.621 9.538 ( -2.621 1.756 0.665) 3.224 9.824 ( -5.186 0.756 1.995) 5.608 9.951 ( -3.424 -3.122 -7.431) 8.758 10.364 ( -12.001 -2.732 -2.700) 12.601 16.795 ( 2.063 -0.638 -2.986) 3.685 16.995 ( -2.308 4.468 0.150) 5.031 17.113 ( -0.832 6.251 -0.222) 6.310 17.197 ( -1.303 -2.087 -0.969) 2.644 17.338 ( 0.503 5.415 2.055) 5.813 17.412 ( -2.386 9.256 7.508) 12.155 17.644 ( 2.098 -7.272 -4.846) 8.987 17.720 ( 0.574 -3.156 -1.116) 3.397 20.200 ( 15.164 -0.160 0.583) 15.176 20.364 ( 19.754 -6.693 -2.269) 20.980 21.640 ( -7.343 -0.050 0.545) 7.364 21.730 ( -6.220 -2.056 -0.834) 6.604 27.279 ( 1.460 -4.554 1.461) 5.001 27.443 ( 0.313 -7.230 -0.993) 7.305 27.471 ( -1.597 -3.982 0.349) 4.305 27.517 ( -1.515 -4.592 -0.297) 4.845 37.345 ( 8.778 9.910 1.667) 13.343 37.556 ( 7.779 6.381 0.046) 10.061 37.745 ( 3.812 -0.272 2.325) 4.473 37.988 ( 9.030 -6.004 0.740) 10.870 38.123 ( -2.951 5.884 -5.889) 8.833 38.770 ( -10.065 10.668 -11.974) 18.933 39.621 ( -16.626 -11.898 8.733) 22.232 39.695 ( -31.288 7.037 8.515) 33.181 ======================= Grid point 129 (49/120) ======================= q-point: ( 0.33 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 13.092 11.510 -2.574) 17.621 2.513 ( 9.365 14.292 -2.638) 17.289 2.690 ( -4.771 -0.344 -8.886) 10.092 2.956 ( -5.769 5.866 -0.486) 8.242 3.107 ( -10.954 3.680 -0.003) 11.555 3.298 ( -6.563 8.414 -9.052) 13.993 3.428 ( 6.860 2.392 -6.495) 9.745 3.893 ( 0.311 8.632 -9.376) 12.748 3.967 ( 9.435 17.526 3.758) 20.255 4.363 ( 4.873 0.014 5.519) 7.362 4.558 ( -4.508 -1.866 2.705) 5.579 4.723 ( -1.014 -7.327 -4.778) 8.805 5.132 ( 0.078 18.526 -1.282) 18.571 5.154 ( 0.954 12.837 -0.350) 12.877 5.655 ( 3.323 3.674 6.613) 8.263 5.748 ( 3.439 2.279 7.715) 8.749 6.067 ( 15.293 -1.173 4.627) 16.021 6.178 ( 8.482 2.490 3.361) 9.457 6.211 ( 6.409 2.139 2.926) 7.363 6.519 ( 4.112 -5.636 -3.589) 7.846 6.626 ( 0.529 -6.696 -1.416) 6.864 6.822 ( 7.163 1.754 6.635) 9.921 7.035 ( 4.419 5.465 -4.213) 8.194 7.098 ( -3.195 16.469 4.023) 17.251 7.414 ( -10.495 5.402 4.960) 12.803 7.533 ( -2.101 16.089 -2.450) 16.410 7.620 ( 5.336 6.343 -4.243) 9.312 7.935 ( -3.126 12.004 -0.279) 12.407 7.976 ( -2.359 4.577 1.854) 5.473 8.097 ( -1.801 7.991 1.624) 8.350 8.280 ( -1.551 3.963 4.994) 6.562 8.661 ( -7.393 -3.647 -0.824) 8.285 9.501 ( -0.848 1.153 0.374) 1.479 9.713 ( -6.243 0.149 0.776) 6.293 9.891 ( -2.225 -3.032 -7.073) 8.011 10.141 ( -10.637 -2.176 -1.635) 10.979 16.840 ( 2.484 -0.186 -2.225) 3.340 16.955 ( -1.864 3.661 -0.235) 4.115 17.097 ( -0.604 4.375 -0.936) 4.514 17.167 ( -1.873 -1.305 -1.363) 2.659 17.344 ( 0.260 7.585 3.360) 8.300 17.378 ( -1.212 8.477 6.008) 10.461 17.686 ( 2.044 -6.271 -4.262) 7.853 17.731 ( 0.450 -3.310 -1.916) 3.850 20.526 ( 18.224 -0.149 0.856) 18.245 20.744 ( 19.149 -7.836 -2.761) 20.874 21.460 ( -11.451 -0.101 0.630) 11.468 21.580 ( -9.492 -3.062 -1.210) 10.047 27.311 ( 1.877 -4.599 1.208) 5.112 27.434 ( -2.155 -4.295 0.390) 4.821 27.451 ( 0.437 -6.738 -0.853) 6.805 27.492 ( -1.090 -4.924 -0.415) 5.060 37.545 ( 11.602 11.341 -0.349) 16.229 37.719 ( 8.339 8.099 -1.683) 11.746 37.853 ( 8.042 4.208 4.262) 10.027 38.050 ( -3.084 4.456 -5.911) 8.019 38.214 ( 13.124 -8.323 0.645) 15.553 38.548 ( -12.475 8.941 -7.314) 17.002 39.084 ( -29.965 12.425 10.112) 33.979 39.279 ( -19.604 -12.485 5.562) 23.898 ======================= Grid point 130 (50/120) ======================= q-point: ( 0.44 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 12.977 5.950 -3.356) 14.665 2.583 ( -2.769 6.040 -4.660) 8.116 2.659 ( 2.598 1.196 -7.497) 8.024 2.827 ( -12.565 0.718 -3.179) 12.980 2.979 ( 5.241 12.606 -1.093) 13.696 3.140 ( -9.155 10.448 -5.681) 15.009 3.623 ( 11.077 7.458 -11.046) 17.331 3.810 ( -7.680 8.521 -13.096) 17.409 4.180 ( 10.867 12.407 5.677) 17.443 4.355 ( -6.511 4.364 3.488) 8.579 4.556 ( 4.806 -4.870 4.829) 8.374 4.662 ( -5.067 -9.680 -0.299) 10.930 5.134 ( 0.613 20.440 2.638) 20.618 5.152 ( -0.893 17.255 3.889) 17.710 5.724 ( 3.487 4.233 6.864) 8.786 5.771 ( -0.975 3.982 7.472) 8.522 6.230 ( 4.036 -2.309 1.016) 4.760 6.262 ( 0.754 -2.090 0.586) 2.297 6.496 ( 17.882 4.235 1.968) 18.482 6.589 ( 4.001 -6.328 -1.572) 7.650 6.620 ( -1.115 -8.080 -0.828) 8.198 6.828 ( -11.294 8.670 1.197) 14.288 7.051 ( 5.643 12.428 9.112) 16.411 7.194 ( -4.074 4.081 2.463) 6.271 7.242 ( 6.048 4.607 -1.331) 7.719 7.444 ( -8.460 6.657 -3.804) 11.418 7.696 ( 2.743 10.438 -3.009) 11.204 7.776 ( -7.288 7.794 -2.622) 10.987 7.998 ( 4.103 15.823 3.325) 16.681 8.084 ( -3.613 10.032 3.379) 11.186 8.342 ( 7.654 0.915 2.981) 8.264 8.506 ( -8.618 -1.378 0.704) 8.756 9.516 ( 2.553 0.714 -0.012) 2.652 9.596 ( -5.498 0.347 -0.090) 5.509 9.886 ( 1.979 -3.278 -5.176) 6.439 9.971 ( -6.809 -3.031 -2.792) 7.959 16.885 ( 2.132 1.098 -1.435) 2.794 16.921 ( -1.698 2.610 -0.730) 3.198 17.098 ( 0.869 2.105 -1.471) 2.711 17.128 ( -2.005 -0.047 -1.728) 2.647 17.351 ( 0.420 8.456 4.395) 9.540 17.361 ( -0.667 8.210 5.020) 9.646 17.718 ( 1.284 -5.098 -3.563) 6.351 17.733 ( -0.278 -4.027 -2.772) 4.897 20.878 ( 17.995 -0.132 0.887) 18.017 21.085 ( 16.223 -6.620 -2.435) 17.690 21.201 ( -15.318 -0.134 0.779) 15.338 21.365 ( -12.855 -4.700 -1.784) 13.804 27.350 ( 2.094 -4.598 0.907) 5.133 27.391 ( -2.207 -4.501 0.617) 5.050 27.461 ( 0.600 -6.129 -0.729) 6.201 27.474 ( -0.800 -5.497 -0.582) 5.586 37.750 ( 8.273 9.739 -4.586) 13.577 37.832 ( 1.141 10.413 -4.034) 11.226 38.011 ( 6.037 7.538 -0.471) 9.669 38.075 ( 7.378 12.183 -0.361) 14.247 38.318 ( -5.961 2.540 1.714) 6.702 38.472 ( 0.894 -3.587 3.106) 4.829 38.614 ( -6.963 3.546 7.425) 10.779 38.897 ( -19.550 -11.135 2.666) 22.656 ======================= Grid point 135 (51/120) ======================= q-point: ( 0.00 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 0.000 22.875 7.386) 24.038 2.490 ( 0.000 20.461 -5.556) 21.202 2.923 ( 0.000 -1.313 -5.625) 5.777 2.926 ( 0.000 -9.353 1.593) 9.487 3.365 ( 0.000 6.228 -5.599) 8.375 3.637 ( 0.000 -5.848 -6.299) 8.595 3.713 ( 0.000 2.622 -9.715) 10.063 3.848 ( 0.000 5.646 -4.507) 7.225 3.891 ( 0.000 -4.746 -9.328) 10.466 4.291 ( 0.000 20.649 9.492) 22.727 4.364 ( 0.000 -16.216 -8.373) 18.250 4.711 ( 0.000 -4.297 1.084) 4.431 5.115 ( 0.000 10.855 -4.048) 11.585 5.194 ( 0.000 11.265 -7.458) 13.510 5.444 ( 0.000 -7.157 -2.487) 7.577 5.547 ( 0.000 -2.504 -2.820) 3.771 5.658 ( 0.000 10.918 7.400) 13.189 6.036 ( 0.000 3.618 12.742) 13.245 6.087 ( 0.000 3.683 6.203) 7.214 6.220 ( 0.000 8.428 9.212) 12.486 6.364 ( 0.000 -17.658 6.573) 18.841 6.518 ( 0.000 -9.808 -1.111) 9.870 7.096 ( 0.000 11.011 -7.653) 13.409 7.419 ( 0.000 -1.931 -13.107) 13.249 7.656 ( 0.000 5.548 11.475) 12.746 7.753 ( 0.000 17.122 3.475) 17.471 7.769 ( 0.000 1.399 5.490) 5.665 7.953 ( 0.000 0.936 4.111) 4.217 8.281 ( 0.000 10.187 0.688) 10.210 8.480 ( 0.000 -0.388 -7.383) 7.393 8.504 ( 0.000 10.477 4.431) 11.375 8.761 ( 0.000 -7.441 3.153) 8.082 9.715 ( 0.000 7.127 0.056) 7.128 9.954 ( 0.000 -4.268 -3.875) 5.764 10.055 ( 0.000 9.636 0.597) 9.654 10.490 ( 0.000 -9.701 -4.243) 10.589 16.780 ( 0.000 3.195 -7.487) 8.140 17.031 ( 0.000 -7.983 -7.937) 11.258 17.155 ( 0.000 1.670 1.408) 2.185 17.235 ( 0.000 -0.638 1.139) 1.306 17.382 ( 0.000 3.936 -1.068) 4.078 17.501 ( 0.000 -3.005 -2.666) 4.018 17.645 ( 0.000 6.184 10.221) 11.946 17.701 ( 0.000 1.952 5.342) 5.688 19.876 ( 0.000 0.115 0.062) 0.130 19.882 ( 0.000 -0.149 -0.019) 0.151 21.782 ( 0.000 0.438 0.239) 0.499 21.819 ( 0.000 -1.382 -0.328) 1.420 27.189 ( 0.000 -1.277 1.209) 1.758 27.297 ( 0.000 -6.227 -0.384) 6.239 27.447 ( 0.000 -1.770 0.315) 1.798 27.479 ( 0.000 -3.308 -0.164) 3.312 37.318 ( 0.000 6.244 2.503) 6.727 37.441 ( 0.000 0.243 1.842) 1.858 37.650 ( 0.000 -0.422 1.862) 1.909 37.724 ( 0.000 -3.916 2.877) 4.859 38.394 ( 0.000 13.051 -10.249) 16.594 38.982 ( 0.000 -10.859 -20.999) 23.641 39.894 ( 0.000 7.276 16.737) 18.250 40.320 ( 0.000 -9.220 4.956) 10.468 ======================= Grid point 136 (52/120) ======================= q-point: ( 0.11 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 2.234 20.793 4.989) 21.499 2.544 ( 5.209 19.339 -5.568) 20.788 2.870 ( -4.731 -7.766 -0.949) 9.143 2.984 ( 5.389 -1.311 -6.397) 8.466 3.339 ( -2.848 5.481 -3.725) 7.213 3.539 ( -7.894 -2.441 -2.051) 8.513 3.676 ( -4.324 1.988 -11.349) 12.307 3.880 ( 3.189 5.591 -6.543) 9.178 3.934 ( 3.952 -5.580 -6.613) 9.513 4.277 ( -0.290 11.032 4.472) 11.907 4.414 ( 3.492 -7.986 -1.644) 8.870 4.712 ( 0.163 -3.091 -0.117) 3.097 5.194 ( 6.510 9.618 -5.663) 12.921 5.244 ( 5.963 13.324 -6.653) 16.042 5.495 ( 5.214 -5.356 -1.504) 7.624 5.620 ( 6.550 -1.005 -4.496) 8.008 5.687 ( 3.270 9.331 9.610) 13.788 6.043 ( 0.694 3.009 11.503) 11.911 6.103 ( 1.829 3.876 8.285) 9.328 6.246 ( 2.385 2.597 5.667) 6.674 6.374 ( 1.705 -14.877 6.775) 16.436 6.517 ( -0.161 -9.858 -0.583) 9.877 7.104 ( 0.862 11.091 -6.700) 12.987 7.420 ( 0.225 -1.836 -11.567) 11.714 7.668 ( -0.039 4.987 9.583) 10.803 7.698 ( -2.995 8.871 3.992) 10.179 7.810 ( 2.031 7.736 4.311) 9.086 7.932 ( -1.806 1.494 4.850) 5.387 8.278 ( -0.331 10.240 0.480) 10.257 8.441 ( -3.826 1.824 -6.342) 7.629 8.489 ( -1.636 9.118 4.013) 10.095 8.733 ( -2.727 -7.219 2.511) 8.115 9.694 ( -2.043 7.350 0.161) 7.631 9.935 ( -1.934 -3.963 -3.944) 5.916 10.019 ( -3.584 9.235 0.641) 9.927 10.432 ( -5.876 -8.614 -3.903) 11.134 16.788 ( 0.856 3.042 -6.998) 7.678 17.022 ( -0.884 -6.413 -7.157) 9.650 17.152 ( -0.466 -0.009 0.827) 0.949 17.213 ( -1.959 -0.283 0.510) 2.044 17.399 ( 1.483 3.957 -0.409) 4.246 17.516 ( 1.472 -2.842 -2.473) 4.045 17.629 ( -1.554 6.787 9.581) 11.844 17.702 ( 0.143 1.614 4.842) 5.106 19.965 ( 8.873 0.156 0.125) 8.875 19.989 ( 10.910 -1.220 -0.234) 10.980 21.748 ( -3.551 0.463 0.245) 3.590 21.788 ( -3.286 -1.486 -0.361) 3.625 27.197 ( 0.751 -1.322 1.170) 1.919 27.301 ( 0.411 -6.112 -0.374) 6.137 27.438 ( -0.963 -1.856 0.302) 2.112 27.467 ( -1.195 -3.237 -0.131) 3.453 37.368 ( 5.213 6.483 2.409) 8.661 37.491 ( 5.107 0.532 1.818) 5.446 37.673 ( 2.492 -0.108 1.857) 3.110 37.761 ( 3.818 -4.317 2.489) 6.277 38.367 ( -2.715 12.578 -9.899) 16.235 38.933 ( -4.957 -10.260 -20.141) 23.141 39.798 ( -9.815 6.471 16.050) 19.895 40.164 ( -15.629 -6.556 5.481) 17.813 ======================= Grid point 137 (53/120) ======================= q-point: ( 0.22 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 3.649 15.693 0.925) 16.138 2.660 ( 4.989 11.877 -6.669) 14.506 2.767 ( -4.054 -0.356 -4.704) 6.220 3.106 ( 4.480 -0.561 -9.917) 10.896 3.257 ( -4.180 3.215 1.195) 5.408 3.379 ( -7.267 -1.695 1.528) 7.616 3.589 ( -4.276 7.527 -12.978) 15.600 3.933 ( 1.820 1.119 -10.321) 10.540 4.041 ( 6.968 -2.173 -1.293) 7.412 4.296 ( 2.318 2.844 2.251) 4.305 4.468 ( 1.909 -2.033 4.073) 4.936 4.708 ( -1.104 -1.499 -0.452) 1.916 5.316 ( 6.618 11.403 -4.845) 14.047 5.408 ( 8.560 14.900 -6.600) 18.408 5.630 ( 8.224 -2.319 0.215) 8.548 5.714 ( 3.139 7.719 -0.038) 8.333 5.833 ( 11.596 2.762 8.001) 14.356 6.066 ( 1.839 0.100 7.868) 8.080 6.162 ( 4.302 1.831 9.615) 10.691 6.285 ( 1.616 -8.321 1.714) 8.648 6.457 ( 5.374 -7.930 2.573) 9.919 6.523 ( 2.715 -10.921 1.918) 11.416 7.133 ( 2.392 11.405 -4.431) 12.467 7.422 ( -0.974 0.090 -6.549) 6.622 7.592 ( -5.458 4.288 1.748) 7.157 7.669 ( -2.638 2.714 5.245) 6.468 7.835 ( 0.272 7.678 4.232) 8.771 7.911 ( 0.070 1.201 5.579) 5.707 8.268 ( -0.739 9.960 -0.032) 9.987 8.347 ( -5.276 6.069 -4.341) 9.139 8.443 ( -3.008 7.440 4.308) 9.108 8.666 ( -4.030 -6.272 1.050) 7.529 9.647 ( -2.566 7.915 0.329) 8.327 9.884 ( -3.441 -1.892 -3.943) 5.565 9.928 ( -5.398 7.123 0.531) 8.953 10.280 ( -9.421 -6.113 -3.142) 11.661 16.813 ( 1.792 2.643 -5.802) 6.622 17.003 ( -0.988 -3.436 -5.659) 6.694 17.131 ( -1.721 -2.425 -0.005) 2.973 17.172 ( -2.173 -0.470 -0.812) 2.367 17.432 ( 1.847 4.572 0.778) 4.992 17.555 ( 2.444 -2.459 -1.843) 3.926 17.595 ( -1.791 7.618 7.937) 11.146 17.705 ( 0.078 0.748 3.579) 3.658 20.203 ( 15.328 0.514 0.303) 15.339 20.269 ( 17.374 -3.354 -0.717) 17.709 21.644 ( -7.344 0.520 0.260) 7.367 21.692 ( -6.820 -1.817 -0.460) 7.073 27.217 ( 1.368 -1.443 1.063) 2.255 27.312 ( 0.762 -5.785 -0.345) 5.845 27.411 ( -1.824 -1.986 0.308) 2.714 27.438 ( -1.660 -3.228 -0.090) 3.631 37.515 ( 9.916 7.092 1.771) 12.319 37.632 ( 9.261 1.389 1.289) 9.453 37.750 ( 5.858 0.863 2.443) 6.405 37.871 ( 7.693 -5.445 1.594) 9.559 38.293 ( -4.981 11.242 -8.894) 15.175 38.797 ( -9.047 -8.536 -17.689) 21.625 39.532 ( -17.315 4.296 14.165) 22.779 39.760 ( -25.270 -1.007 6.454) 26.101 ======================= Grid point 138 (54/120) ======================= q-point: ( 0.33 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 6.591 9.494 -1.256) 11.626 2.642 ( -2.423 -3.783 -5.468) 7.077 2.787 ( 0.154 12.049 -8.814) 14.929 3.020 ( -9.218 0.135 -2.716) 9.611 3.189 ( -3.253 5.533 1.700) 6.639 3.429 ( 11.029 -2.759 -9.881) 15.063 3.505 ( -4.804 12.292 -13.666) 18.998 3.937 ( -1.726 -2.679 -15.384) 15.710 4.190 ( 8.194 1.313 3.489) 9.002 4.362 ( 4.205 -1.403 4.450) 6.281 4.485 ( -0.198 1.409 6.768) 6.916 4.655 ( -4.387 -0.692 3.952) 5.945 5.435 ( 5.151 14.705 -1.737) 15.677 5.517 ( 2.742 18.088 -4.295) 18.792 5.773 ( 3.519 8.519 3.237) 9.769 5.782 ( 6.868 0.694 1.664) 7.101 6.068 ( 9.355 0.117 7.550) 12.022 6.112 ( 2.907 -5.191 1.719) 6.193 6.273 ( 8.291 -4.409 5.041) 10.658 6.330 ( 3.696 -6.351 3.382) 8.089 6.478 ( 0.107 -6.863 -0.049) 6.864 6.707 ( 13.060 -9.615 0.022) 16.217 7.199 ( 2.988 10.007 -2.651) 10.775 7.315 ( -8.978 6.078 2.474) 11.120 7.489 ( -6.870 0.577 0.216) 6.898 7.641 ( 2.348 -2.183 -0.027) 3.206 7.780 ( -6.705 7.282 2.556) 10.224 7.921 ( -0.050 0.303 3.651) 3.664 8.258 ( 0.349 9.165 0.122) 9.173 8.274 ( -2.087 8.914 -0.505) 9.169 8.387 ( -2.305 5.919 4.021) 7.517 8.581 ( -4.806 -4.515 0.105) 6.595 9.610 ( -0.966 8.453 0.328) 8.514 9.790 ( -5.997 6.592 -1.022) 8.971 9.852 ( -2.030 -0.946 -2.496) 3.354 10.092 ( -9.559 -3.610 -2.524) 10.525 16.856 ( 2.567 2.193 -4.396) 5.543 16.984 ( -1.066 -0.296 -3.972) 4.123 17.095 ( -1.720 -3.682 -1.204) 4.239 17.130 ( -2.125 -1.873 -2.053) 3.498 17.467 ( 1.816 5.655 2.051) 6.284 17.560 ( -1.568 8.006 6.136) 10.208 17.607 ( 2.657 -2.282 -1.072) 3.662 17.703 ( -0.394 -0.327 2.096) 2.158 20.531 ( 18.310 0.785 0.411) 18.332 20.625 ( 19.003 -4.482 -1.030) 19.552 21.464 ( -11.421 0.609 0.291) 11.441 21.525 ( -10.581 -2.449 -0.629) 10.879 27.248 ( 1.794 -1.600 0.906) 2.569 27.329 ( 1.033 -5.298 -0.304) 5.407 27.371 ( -2.263 -1.968 0.402) 3.026 27.406 ( -1.595 -3.557 -0.120) 3.900 37.726 ( 10.662 6.860 -1.448) 12.761 37.824 ( 11.041 3.066 0.201) 11.460 37.930 ( 13.472 2.649 4.552) 14.465 38.058 ( 11.810 -6.397 1.341) 13.498 38.182 ( -6.182 9.120 -7.208) 13.166 38.595 ( -11.699 -5.818 -13.909) 19.084 39.157 ( -21.137 1.226 11.497) 24.093 39.240 ( -27.791 3.435 6.925) 28.846 ======================= Grid point 139 (55/120) ======================= q-point: ( 0.44 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 9.206 4.537 -1.731) 10.408 2.653 ( 4.303 -1.520 -4.854) 6.662 2.693 ( -7.808 4.801 -4.034) 10.014 2.815 ( -11.253 -1.547 -2.407) 11.611 3.242 ( 7.025 13.680 -6.807) 16.818 3.387 ( -7.166 13.968 -12.187) 19.875 3.665 ( 11.878 -3.799 -16.794) 20.918 3.853 ( -7.223 -4.494 -19.234) 21.031 4.338 ( 6.833 3.166 6.891) 10.208 4.428 ( -0.372 4.009 8.794) 9.672 4.471 ( 1.511 -2.892 7.097) 7.811 4.555 ( -5.405 -1.332 8.948) 10.538 5.505 ( 2.373 17.941 -0.388) 18.102 5.533 ( -0.552 19.419 -1.621) 19.494 5.845 ( 3.240 7.569 3.756) 9.050 5.867 ( 1.522 4.866 3.670) 6.282 6.142 ( 1.641 -5.172 2.003) 5.784 6.156 ( 0.430 -8.018 0.809) 8.070 6.373 ( 2.583 -12.330 2.631) 12.869 6.406 ( -0.393 -13.021 2.425) 13.250 6.636 ( 17.383 7.681 1.331) 19.051 6.933 ( -0.506 1.331 -2.105) 2.541 7.047 ( -2.079 -3.427 2.263) 4.603 7.251 ( -9.847 -3.181 -0.683) 10.370 7.418 ( 6.520 11.112 3.198) 13.274 7.602 ( -10.527 10.692 2.409) 15.196 7.747 ( 7.172 -2.999 -1.104) 7.852 7.874 ( -5.092 -0.338 0.645) 5.144 8.256 ( 0.105 8.309 2.134) 8.580 8.267 ( -0.409 8.758 2.492) 9.115 8.391 ( 3.326 2.574 1.566) 4.488 8.483 ( -5.328 -1.776 0.216) 5.620 9.618 ( 1.925 8.456 0.061) 8.672 9.683 ( -4.718 7.875 -0.301) 9.185 9.850 ( 2.005 -1.503 -2.889) 3.825 9.933 ( -6.599 -2.013 -2.498) 7.338 16.908 ( 2.758 1.977 -3.152) 4.632 16.956 ( -2.026 1.741 -2.732) 3.821 17.077 ( -0.014 -4.159 -2.608) 4.909 17.093 ( -1.567 -3.145 -2.770) 4.475 17.500 ( 1.644 6.808 3.329) 7.755 17.531 ( -1.516 7.717 4.670) 9.146 17.655 ( 2.150 -1.999 -0.289) 2.950 17.687 ( -1.243 -1.307 0.774) 1.963 20.884 ( 17.985 0.843 0.408) 18.009 20.979 ( 17.464 -4.275 -1.040) 18.010 21.207 ( -15.296 0.740 0.350) 15.318 21.285 ( -14.315 -3.378 -0.851) 14.733 27.285 ( 2.064 -1.750 0.727) 2.802 27.327 ( -2.244 -1.872 0.553) 2.974 27.351 ( 1.248 -4.717 -0.251) 4.886 27.377 ( -1.437 -4.110 -0.188) 4.358 37.895 ( 7.676 6.194 -4.469) 10.828 38.025 ( -2.278 8.515 -5.955) 10.638 38.096 ( 9.043 0.778 -3.005) 9.561 38.251 ( 18.275 3.016 5.585) 19.346 38.312 ( 4.423 -1.185 -1.496) 4.817 38.383 ( -0.549 -2.956 -3.316) 4.476 38.727 ( -23.698 3.780 7.002) 24.999 38.752 ( -20.452 -1.928 7.956) 22.030 ======================= Grid point 144 (56/120) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 0.000 -16.845 3.301) 17.165 2.603 ( 0.000 16.845 3.301) 17.165 2.831 ( 0.000 -8.089 -4.450) 9.232 2.831 ( 0.000 8.089 -4.450) 9.232 3.500 ( 0.000 -7.357 -6.288) 9.678 3.500 ( 0.000 7.357 -6.288) 9.678 3.784 ( 0.000 -4.999 -11.126) 12.198 3.784 ( 0.000 4.999 -11.126) 12.198 4.052 ( 0.000 -14.281 -7.042) 15.923 4.052 ( 0.000 14.281 -7.042) 15.923 4.587 ( 0.000 -9.622 5.033) 10.859 4.587 ( 0.000 9.622 5.033) 10.859 5.292 ( 0.000 -7.702 -2.798) 8.195 5.292 ( 0.000 7.702 -2.798) 8.195 5.416 ( 0.000 -9.700 -3.836) 10.431 5.416 ( 0.000 9.700 -3.836) 10.431 5.950 ( 0.000 -17.171 7.898) 18.900 5.950 ( 0.000 17.171 7.898) 18.900 6.133 ( 0.000 -5.004 11.195) 12.263 6.133 ( 0.000 5.004 11.195) 12.263 6.357 ( 0.000 -6.520 0.955) 6.589 6.357 ( 0.000 6.520 0.955) 6.589 7.299 ( 0.000 -9.103 -11.004) 14.281 7.299 ( 0.000 9.103 -11.004) 14.281 7.746 ( 0.000 -2.980 8.491) 8.999 7.746 ( 0.000 2.980 8.491) 8.999 7.934 ( 0.000 -3.753 4.610) 5.944 7.934 ( 0.000 3.753 4.610) 5.944 8.437 ( 0.000 -5.509 -4.038) 6.831 8.437 ( 0.000 5.509 -4.038) 6.831 8.654 ( 0.000 -4.600 4.114) 6.171 8.654 ( 0.000 4.600 4.114) 6.171 9.852 ( 0.000 -6.261 -1.255) 6.386 9.852 ( 0.000 6.261 -1.255) 6.386 10.276 ( 0.000 -11.808 -1.933) 11.966 10.276 ( 0.000 11.808 -1.933) 11.966 16.878 ( 0.000 -6.721 -8.830) 11.097 16.878 ( 0.000 6.721 -8.830) 11.097 17.195 ( 0.000 -2.485 0.908) 2.645 17.195 ( 0.000 2.485 0.908) 2.645 17.450 ( 0.000 -2.784 -2.063) 3.465 17.450 ( 0.000 2.784 -2.063) 3.465 17.719 ( 0.000 -1.131 9.107) 9.177 17.719 ( 0.000 1.131 9.107) 9.177 19.879 ( 0.000 -0.143 0.022) 0.144 19.879 ( 0.000 0.143 0.022) 0.144 21.796 ( 0.000 -0.983 -0.047) 0.984 21.796 ( 0.000 0.983 -0.047) 0.984 27.205 ( 0.000 -2.852 0.463) 2.890 27.205 ( 0.000 2.852 0.463) 2.890 27.437 ( 0.000 -0.824 0.069) 0.826 27.437 ( 0.000 0.824 0.069) 0.826 37.412 ( 0.000 -3.191 2.387) 3.985 37.412 ( 0.000 3.191 2.387) 3.985 37.665 ( 0.000 -1.973 2.376) 3.089 37.665 ( 0.000 1.973 2.376) 3.089 38.688 ( 0.000 -16.266 -14.725) 21.941 38.688 ( 0.000 16.266 -14.725) 21.941 40.109 ( 0.000 -11.958 9.638) 15.358 40.109 ( 0.000 11.958 9.638) 15.358 ======================= Grid point 146 (57/120) ======================= q-point: ( 0.11 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( -1.623 -15.565 1.695) 15.741 2.587 ( -1.623 15.565 1.695) 15.741 2.882 ( 4.835 -9.479 -5.912) 12.174 2.882 ( 4.835 9.479 -5.912) 12.174 3.449 ( -5.098 -5.602 -3.687) 8.424 3.449 ( -5.098 5.602 -3.687) 8.424 3.777 ( -0.110 -7.649 -11.298) 13.644 3.777 ( -0.110 7.649 -11.298) 13.644 4.074 ( 2.092 -13.230 -5.678) 14.549 4.074 ( 2.092 13.230 -5.678) 14.549 4.601 ( 1.327 -9.112 4.707) 10.342 4.601 ( 1.327 9.112 4.707) 10.342 5.356 ( 5.938 -6.647 -3.412) 9.544 5.356 ( 5.938 6.647 -3.412) 9.544 5.497 ( 8.319 -9.647 -4.239) 13.425 5.497 ( 8.319 9.647 -4.239) 13.425 5.961 ( 0.996 -16.523 7.836) 18.314 5.961 ( 0.996 16.523 7.836) 18.314 6.142 ( 0.992 -5.200 11.094) 12.292 6.142 ( 0.992 5.200 11.094) 12.292 6.357 ( 0.219 -5.667 1.114) 5.780 6.357 ( 0.219 5.667 1.114) 5.780 7.306 ( 0.838 -8.766 -10.172) 13.454 7.306 ( 0.838 8.766 -10.172) 13.454 7.732 ( -1.827 -1.507 7.009) 7.398 7.732 ( -1.827 1.507 7.009) 7.398 7.925 ( -0.723 -2.894 5.585) 6.331 7.925 ( -0.723 2.894 5.585) 6.331 8.428 ( -1.068 -4.726 -4.180) 6.399 8.428 ( -1.068 4.726 -4.180) 6.399 8.626 ( -2.684 -4.443 4.173) 6.660 8.626 ( -2.684 4.443 4.173) 6.660 9.835 ( -1.656 -6.339 -1.154) 6.653 9.835 ( -1.656 6.339 -1.154) 6.653 10.233 ( -4.342 -11.295 -1.867) 12.244 10.233 ( -4.342 11.295 -1.867) 12.244 16.882 ( 0.469 -6.434 -8.383) 10.578 16.882 ( 0.469 6.434 -8.383) 10.578 17.178 ( -1.666 -2.218 0.528) 2.823 17.178 ( -1.666 2.218 0.528) 2.823 17.466 ( 1.632 -2.757 -1.573) 3.569 17.466 ( 1.632 2.757 -1.573) 3.569 17.713 ( -0.650 -1.581 8.448) 8.619 17.713 ( -0.650 1.581 8.448) 8.619 19.972 ( 9.456 -0.579 0.002) 9.474 19.972 ( 9.456 0.579 0.002) 9.474 21.763 ( -3.461 -1.050 -0.057) 3.617 21.763 ( -3.461 1.050 -0.057) 3.617 27.211 ( 0.619 -2.766 0.448) 2.869 27.211 ( 0.619 2.766 0.448) 2.869 27.426 ( -1.089 -0.753 0.087) 1.327 27.426 ( -1.089 0.753 0.087) 1.327 37.464 ( 5.431 -3.171 2.354) 6.715 37.464 ( 5.431 3.171 2.354) 6.715 37.694 ( 3.098 -2.290 2.152) 4.413 37.694 ( 3.098 2.290 2.152) 4.413 38.651 ( -3.748 -15.701 -14.190) 21.492 38.651 ( -3.748 15.701 -14.190) 21.492 39.991 ( -11.931 -10.545 9.518) 18.551 39.991 ( -11.931 10.545 9.518) 18.551 ======================= Grid point 148 (58/120) ======================= q-point: ( 0.22 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( -2.000 -11.753 -1.100) 11.972 2.548 ( -2.000 11.753 -1.100) 11.972 2.990 ( 5.086 -10.919 -10.462) 15.955 2.990 ( 5.086 10.919 -10.462) 15.955 3.325 ( -6.385 -3.431 1.223) 7.350 3.325 ( -6.385 3.431 1.223) 7.350 3.785 ( 0.358 -11.573 -12.370) 16.944 3.785 ( 0.358 11.573 -12.370) 16.944 4.133 ( 4.372 -10.190 -2.455) 11.357 4.133 ( 4.372 10.190 -2.455) 11.357 4.624 ( 0.539 -7.690 5.623) 9.542 4.624 ( 0.539 7.690 5.623) 9.542 5.499 ( 8.557 -6.218 -3.704) 11.207 5.499 ( 8.557 6.218 -3.704) 11.207 5.703 ( 11.373 -9.197 -5.783) 15.728 5.703 ( 11.373 9.197 -5.783) 15.728 5.988 ( 1.959 -13.951 7.670) 16.041 5.988 ( 1.959 13.951 7.670) 16.041 6.168 ( 1.392 -7.397 10.228) 12.699 6.168 ( 1.392 7.397 10.228) 12.699 6.384 ( 3.421 -1.728 1.750) 4.213 6.384 ( 3.421 1.728 1.750) 4.213 7.333 ( 1.906 -7.999 -7.947) 11.436 7.333 ( 1.906 7.999 -7.947) 11.436 7.656 ( -6.186 -2.541 4.115) 7.852 7.656 ( -6.186 2.541 4.115) 7.852 7.916 ( -0.249 -1.598 6.904) 7.091 7.916 ( -0.249 1.598 6.904) 7.091 8.396 ( -2.168 -2.823 -3.858) 5.249 8.396 ( -2.168 2.823 -3.858) 5.249 8.561 ( -3.799 -4.649 4.012) 7.221 8.561 ( -3.799 4.649 4.012) 7.221 9.795 ( -2.154 -6.343 -0.986) 6.770 9.795 ( -2.154 6.343 -0.986) 6.770 10.119 ( -7.120 -9.943 -1.702) 12.348 10.119 ( -7.120 9.943 -1.702) 12.348 16.897 ( 1.122 -5.641 -7.224) 9.234 16.897 ( 1.122 5.641 -7.224) 9.234 17.136 ( -2.634 -1.985 -0.326) 3.314 17.136 ( -2.634 1.985 -0.326) 3.314 17.507 ( 2.479 -2.926 -0.498) 3.867 17.507 ( 2.479 2.926 -0.498) 3.867 17.697 ( -1.002 -2.522 6.846) 7.365 17.697 ( -1.002 2.522 6.846) 7.365 20.222 ( 15.975 -1.590 -0.063) 16.054 20.222 ( 15.975 1.590 -0.063) 16.054 21.661 ( -7.184 -1.239 -0.087) 7.291 21.661 ( -7.184 1.239 -0.087) 7.291 27.228 ( 1.138 -2.524 0.407) 2.799 27.228 ( 1.138 2.524 0.407) 2.799 27.398 ( -1.794 -0.722 0.132) 1.938 27.398 ( -1.794 0.722 0.132) 1.938 37.616 ( 10.111 -3.018 1.837) 10.711 37.616 ( 10.111 3.018 1.837) 10.711 37.786 ( 6.656 -3.033 1.933) 7.566 37.786 ( 6.656 3.033 1.933) 7.566 38.548 ( -6.824 -14.125 -12.666) 20.163 38.548 ( -6.824 14.125 -12.666) 20.163 39.672 ( -20.580 -7.180 9.081) 23.613 39.672 ( -20.580 7.180 9.081) 23.613 ======================= Grid point 150 (59/120) ======================= q-point: ( 0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( 1.106 -7.019 -2.646) 7.582 2.534 ( 1.106 7.019 -2.646) 7.582 2.965 ( -8.347 -5.760 -6.525) 12.059 2.965 ( -8.347 5.760 -6.525) 12.059 3.322 ( 6.923 -7.196 -5.477) 11.389 3.322 ( 6.923 7.196 -5.477) 11.389 3.764 ( -3.020 -12.990 -15.704) 20.603 3.764 ( -3.020 12.990 -15.704) 20.603 4.248 ( 7.281 -6.120 3.136) 10.015 4.248 ( 7.281 6.120 3.136) 10.015 4.606 ( -2.606 -5.217 8.297) 10.141 4.606 ( -2.606 5.217 8.297) 10.141 5.667 ( 8.449 -6.563 -3.263) 11.185 5.667 ( 8.449 6.563 -3.263) 11.185 5.860 ( 4.020 -8.598 -6.348) 11.418 5.860 ( 4.020 8.598 -6.348) 11.418 6.046 ( 3.831 -10.523 6.677) 13.038 6.046 ( 3.831 10.523 6.677) 13.038 6.185 ( 0.297 -8.303 9.179) 12.381 6.185 ( 0.297 8.303 9.179) 12.381 6.525 ( 11.678 -8.127 1.243) 14.282 6.525 ( 11.678 8.127 1.243) 14.282 7.344 ( -4.252 -4.243 -4.000) 7.217 7.344 ( -4.252 4.243 -4.000) 7.217 7.539 ( -2.176 -6.082 1.839) 6.716 7.539 ( -2.176 6.082 1.839) 6.716 7.893 ( -2.967 -3.644 5.492) 7.228 7.893 ( -2.967 3.644 5.492) 7.228 8.358 ( -1.175 -0.818 -1.681) 2.208 8.358 ( -1.175 0.818 -1.681) 2.208 8.489 ( -3.715 -4.703 3.047) 6.724 8.489 ( -3.715 4.703 3.047) 6.724 9.764 ( -0.774 -6.037 -0.973) 6.164 9.764 ( -0.774 6.037 -0.973) 6.164 9.976 ( -7.423 -8.210 -1.507) 11.170 9.976 ( -7.423 8.210 -1.507) 11.170 16.926 ( 1.890 -4.542 -5.723) 7.546 16.926 ( 1.890 4.542 -5.723) 7.546 17.081 ( -3.008 -2.137 -1.423) 3.955 17.081 ( -3.008 2.137 -1.423) 3.955 17.557 ( 2.630 -3.321 0.726) 4.298 17.557 ( 2.630 3.321 0.726) 4.298 17.674 ( -1.319 -3.336 5.008) 6.160 17.674 ( -1.319 3.336 5.008) 6.160 20.560 ( 18.584 -2.271 -0.144) 18.723 20.560 ( 18.584 2.271 -0.144) 18.723 21.485 ( -11.176 -1.557 -0.131) 11.285 21.485 ( -11.176 1.557 -0.131) 11.285 27.254 ( 1.517 -2.177 0.350) 2.676 27.254 ( 1.517 2.177 0.350) 2.676 27.360 ( -2.032 -0.965 0.184) 2.257 27.360 ( -2.032 0.965 0.184) 2.257 37.825 ( 10.634 -3.181 -1.272) 11.173 37.825 ( 10.634 3.181 -1.272) 11.173 37.971 ( 13.394 -2.537 3.877) 14.173 37.971 ( 13.394 2.537 3.877) 14.173 38.398 ( -8.559 -11.820 -10.333) 17.882 38.398 ( -8.559 11.820 -10.333) 17.882 39.232 ( -24.529 -3.585 8.232) 26.121 39.232 ( -24.529 3.585 8.232) 26.121 ======================= Grid point 152 (60/120) ======================= q-point: ( 0.44 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( 6.371 -3.287 -2.644) 7.641 2.605 ( 6.371 3.287 -2.644) 7.641 2.770 ( -10.299 -3.065 -2.706) 11.081 2.770 ( -10.299 3.065 -2.706) 11.081 3.497 ( 9.763 -11.477 -13.907) 20.505 3.497 ( 9.763 11.477 -13.907) 20.505 3.665 ( -7.216 -12.940 -17.063) 22.598 3.665 ( -7.216 12.940 -17.063) 22.598 4.394 ( 7.551 -3.314 8.045) 11.520 4.394 ( 7.551 3.314 8.045) 11.520 4.524 ( -5.736 -2.911 9.896) 11.803 4.524 ( -5.736 2.911 9.896) 11.803 5.804 ( 5.527 -6.742 -3.417) 9.364 5.804 ( 5.527 6.742 -3.417) 9.364 5.875 ( -1.754 -7.075 -4.712) 8.679 5.875 ( -1.754 7.075 -4.712) 8.679 6.116 ( 3.440 -7.710 5.897) 10.299 6.116 ( 3.440 7.710 5.897) 10.299 6.171 ( -1.951 -5.539 7.569) 9.580 6.171 ( -1.951 5.539 7.569) 9.580 6.809 ( 16.743 -9.298 0.001) 19.151 6.809 ( 16.743 9.298 0.001) 19.151 7.127 ( -15.446 -7.250 -0.552) 17.072 7.127 ( -15.446 7.250 -0.552) 17.072 7.624 ( 8.171 -8.820 0.940) 12.060 7.624 ( 8.171 8.820 0.940) 12.060 7.787 ( -7.753 -7.468 2.947) 11.161 7.787 ( -7.753 7.468 2.947) 11.161 8.365 ( 1.907 -2.060 0.802) 2.919 8.365 ( 1.907 2.060 0.802) 2.919 8.419 ( -3.400 -3.682 1.993) 5.394 8.419 ( -3.400 3.682 1.993) 5.394 9.776 ( 2.173 -5.907 -1.128) 6.394 9.776 ( 2.173 5.907 -1.128) 6.394 9.850 ( -5.406 -6.672 -1.319) 8.688 9.850 ( -5.406 6.672 -1.319) 8.688 16.969 ( 2.557 -3.435 -4.174) 5.980 16.969 ( 2.557 3.435 -4.174) 5.980 17.023 ( -2.957 -2.603 -2.720) 4.787 17.023 ( -2.957 2.603 -2.720) 4.787 17.605 ( 2.322 -3.674 1.988) 4.779 17.605 ( 2.322 3.674 1.988) 4.779 17.645 ( -1.800 -3.727 3.371) 5.338 17.645 ( -1.800 3.727 3.371) 5.338 20.915 ( 17.879 -2.332 -0.185) 18.031 20.915 ( 17.879 2.332 -0.185) 18.031 21.233 ( -15.024 -1.985 -0.173) 15.155 21.233 ( -15.024 1.985 -0.173) 15.155 27.286 ( 1.782 -1.776 0.290) 2.533 27.286 ( 1.782 1.776 0.290) 2.533 27.322 ( -1.970 -1.358 0.236) 2.405 27.322 ( -1.970 1.358 0.236) 2.405 38.016 ( 9.623 -6.027 -4.613) 12.256 38.016 ( 9.623 6.027 -4.613) 12.256 38.186 ( -5.258 -6.741 -4.945) 9.877 38.186 ( -5.258 6.741 -4.945) 9.877 38.340 ( 16.253 -1.245 3.235) 16.619 38.340 ( 16.253 1.245 3.235) 16.619 38.758 ( -24.125 -1.049 6.996) 25.140 38.758 ( -24.125 1.049 6.996) 25.140 ======================= Grid point 198 (61/120) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 0.000 0.000 29.444) 29.444 1.295 ( 0.000 0.000 30.832) 30.832 2.162 ( 0.000 0.000 41.913) 41.913 2.329 ( 0.000 0.000 -27.231) 27.231 2.524 ( 0.000 0.000 -15.304) 15.304 3.371 ( 0.000 0.000 2.117) 2.117 3.472 ( 0.000 0.000 -2.989) 2.989 3.538 ( 0.000 0.000 -5.843) 5.843 3.657 ( 0.000 0.000 4.840) 4.840 4.064 ( 0.000 0.000 9.190) 9.190 4.303 ( 0.000 0.000 -4.143) 4.143 4.387 ( 0.000 0.000 -33.625) 33.625 4.539 ( 0.000 0.000 16.011) 16.011 5.307 ( 0.000 0.000 -18.069) 18.069 5.405 ( 0.000 0.000 11.795) 11.795 5.548 ( 0.000 0.000 9.227) 9.227 5.643 ( 0.000 0.000 6.150) 6.150 5.746 ( 0.000 0.000 4.622) 4.622 5.889 ( 0.000 0.000 -7.531) 7.531 5.918 ( 0.000 0.000 -10.966) 10.966 6.150 ( 0.000 0.000 13.802) 13.802 6.171 ( 0.000 0.000 9.063) 9.063 6.453 ( 0.000 0.000 2.929) 2.929 6.548 ( 0.000 0.000 -3.261) 3.261 6.637 ( 0.000 0.000 -10.351) 10.351 6.798 ( 0.000 0.000 11.227) 11.227 7.089 ( 0.000 0.000 -22.872) 22.872 7.187 ( 0.000 0.000 -4.856) 4.856 8.252 ( 0.000 0.000 8.843) 8.843 8.478 ( 0.000 0.000 15.556) 15.556 8.645 ( 0.000 0.000 -8.759) 8.759 9.049 ( 0.000 0.000 -10.810) 10.810 9.998 ( 0.000 0.000 3.683) 3.683 10.129 ( 0.000 0.000 -2.515) 2.515 10.334 ( 0.000 0.000 16.416) 16.416 10.996 ( 0.000 0.000 -13.382) 13.382 16.472 ( 0.000 0.000 3.779) 3.779 16.627 ( 0.000 0.000 -3.299) 3.299 16.916 ( 0.000 0.000 4.520) 4.520 17.108 ( 0.000 0.000 -4.188) 4.188 17.242 ( 0.000 0.000 13.195) 13.195 17.734 ( 0.000 0.000 4.630) 4.630 17.791 ( 0.000 0.000 -10.478) 10.478 17.987 ( 0.000 0.000 -7.633) 7.633 19.876 ( 0.000 0.000 0.225) 0.225 19.885 ( 0.000 0.000 -0.194) 0.194 21.809 ( 0.000 0.000 1.440) 1.440 21.875 ( 0.000 0.000 -1.538) 1.538 27.534 ( 0.000 0.000 3.284) 3.284 27.677 ( 0.000 0.000 1.367) 1.367 27.681 ( 0.000 0.000 -3.285) 3.285 27.733 ( 0.000 0.000 -1.118) 1.118 36.889 ( 0.000 0.000 3.621) 3.621 37.056 ( 0.000 0.000 -3.871) 3.871 37.681 ( 0.000 0.000 2.162) 2.162 37.772 ( 0.000 0.000 -1.950) 1.950 38.047 ( 0.000 0.000 3.017) 3.017 38.169 ( 0.000 0.000 -2.437) 2.437 40.809 ( 0.000 0.000 3.759) 3.759 40.972 ( 0.000 0.000 -3.570) 3.570 ======================= Grid point 199 (62/120) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 10.147 0.000 26.397) 28.280 1.285 ( 0.558 0.000 28.615) 28.621 2.269 ( 5.775 0.000 10.724) 12.180 2.355 ( 2.633 0.000 -25.929) 26.063 2.565 ( 8.783 0.000 10.082) 13.372 3.308 ( -6.377 0.000 2.210) 6.749 3.422 ( -5.073 0.000 -3.102) 5.947 3.429 ( -11.271 0.000 3.778) 11.887 3.644 ( -1.736 0.000 -4.857) 5.158 4.105 ( 3.959 0.000 9.294) 10.102 4.247 ( -6.354 0.000 -18.280) 19.352 4.327 ( 2.357 0.000 -2.930) 3.760 4.734 ( 12.096 0.000 -2.691) 12.391 5.275 ( -3.465 0.000 -15.257) 15.646 5.444 ( 3.823 0.000 11.509) 12.128 5.577 ( 3.334 0.000 9.188) 9.774 5.708 ( 6.087 0.000 5.177) 7.991 5.793 ( 4.385 0.000 7.053) 8.305 5.953 ( 3.560 0.000 -10.534) 11.119 5.979 ( 6.757 0.000 1.420) 6.905 6.155 ( 0.389 0.000 13.211) 13.217 6.195 ( 3.109 0.000 3.575) 4.738 6.463 ( 1.545 0.000 2.480) 2.922 6.577 ( 2.995 0.000 -3.136) 4.336 6.657 ( 1.957 0.000 -10.411) 10.594 6.961 ( 13.796 0.000 5.330) 14.790 7.062 ( -2.732 0.000 -22.617) 22.782 7.243 ( 7.004 0.000 -4.948) 8.576 8.191 ( -6.252 0.000 8.722) 10.731 8.456 ( -2.168 0.000 15.496) 15.646 8.580 ( -6.790 0.000 -8.659) 11.004 9.005 ( -4.404 0.000 -9.721) 10.672 9.986 ( -1.233 0.000 3.241) 3.467 10.106 ( -2.488 0.000 -1.814) 3.079 10.281 ( -5.045 0.000 13.835) 14.727 10.818 ( -15.976 0.000 -7.308) 17.568 16.485 ( 1.266 0.000 3.775) 3.982 16.640 ( 1.245 0.000 -3.291) 3.518 16.904 ( -1.249 0.000 4.457) 4.629 17.094 ( -1.503 0.000 -4.140) 4.404 17.242 ( 0.143 0.000 13.143) 13.143 17.645 ( -6.861 0.000 6.958) 9.771 17.794 ( 0.270 0.000 -9.922) 9.926 17.962 ( -2.425 0.000 -8.637) 8.971 19.991 ( 10.651 0.000 1.117) 10.710 20.147 ( 23.331 0.000 -9.647) 25.247 21.777 ( -3.338 0.000 1.508) 3.663 21.848 ( -2.733 0.000 -1.724) 3.231 27.540 ( 0.591 0.000 3.117) 3.173 27.668 ( -0.587 0.000 -0.694) 0.909 27.687 ( 0.292 0.000 -1.741) 1.766 27.719 ( -1.276 0.000 -1.017) 1.632 36.910 ( 2.136 0.000 3.604) 4.189 37.076 ( 2.058 0.000 -3.861) 4.375 37.654 ( -2.760 0.000 2.288) 3.585 37.751 ( -2.237 0.000 -2.066) 3.045 38.097 ( 5.223 0.000 2.336) 5.721 38.184 ( 1.576 0.000 -1.529) 2.196 40.505 ( -38.970 0.000 15.067) 41.781 40.674 ( -15.833 0.000 1.406) 15.896 ======================= Grid point 200 (63/120) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 10.778 0.000 16.950) 20.087 1.498 ( 16.279 0.000 20.261) 25.991 2.269 ( -2.585 0.000 -19.325) 19.497 2.430 ( 5.157 0.000 -22.382) 22.969 2.937 ( 25.960 0.000 31.509) 40.826 3.136 ( -11.350 0.000 2.531) 11.629 3.150 ( -16.881 0.000 5.991) 17.912 3.286 ( -8.672 0.000 -3.678) 9.420 3.503 ( -13.402 0.000 -9.187) 16.249 4.200 ( 5.419 0.000 9.583) 11.009 4.263 ( 8.068 0.000 -16.239) 18.132 4.379 ( 2.633 0.000 0.124) 2.636 4.907 ( 4.512 0.000 -6.050) 7.548 5.173 ( -6.847 0.000 -9.061) 11.357 5.540 ( 5.942 0.000 10.827) 12.351 5.674 ( 6.271 0.000 8.290) 10.395 5.842 ( 6.827 0.000 3.978) 7.901 5.880 ( 4.194 0.000 11.590) 12.325 6.044 ( 5.152 0.000 -6.842) 8.565 6.068 ( 2.391 0.000 15.164) 15.351 6.164 ( 0.973 0.000 7.958) 8.017 6.314 ( 8.503 0.000 -7.024) 11.029 6.539 ( 7.089 0.000 1.984) 7.361 6.666 ( 6.211 0.000 -2.994) 6.895 6.698 ( 1.739 0.000 -10.735) 10.875 6.992 ( -4.047 0.000 -21.646) 22.021 7.192 ( 10.376 0.000 6.245) 12.110 7.485 ( 15.374 0.000 -6.399) 16.653 8.016 ( -11.813 0.000 8.326) 14.452 8.388 ( -12.990 0.000 -8.353) 15.444 8.409 ( -2.107 0.000 14.887) 15.035 8.894 ( -6.733 0.000 -6.917) 9.653 9.948 ( -2.732 0.000 2.278) 3.557 10.026 ( -5.845 0.000 1.917) 6.152 10.173 ( -5.383 0.000 5.157) 7.455 10.493 ( -15.787 0.000 -2.969) 16.064 16.520 ( 2.366 0.000 3.758) 4.441 16.673 ( 2.123 0.000 -3.146) 3.795 16.871 ( -2.094 0.000 4.159) 4.657 17.052 ( -2.773 0.000 -3.992) 4.860 17.252 ( 1.009 0.000 12.253) 12.294 17.531 ( -4.774 0.000 7.334) 8.751 17.800 ( 0.416 0.000 -9.231) 9.240 17.909 ( -2.674 0.000 -10.178) 10.523 20.264 ( 16.882 0.000 3.357) 17.213 20.606 ( 22.381 0.000 -16.592) 27.860 21.679 ( -6.877 0.000 1.758) 7.099 21.771 ( -5.320 0.000 -2.383) 5.829 27.556 ( 0.995 0.000 2.591) 2.775 27.656 ( -0.698 0.000 -1.423) 1.585 27.689 ( -0.506 0.000 -1.208) 1.310 27.693 ( -0.761 0.000 -1.418) 1.609 36.970 ( 4.087 0.000 3.540) 5.407 37.133 ( 3.858 0.000 -3.819) 5.429 37.579 ( -4.959 0.000 2.596) 5.598 37.688 ( -4.216 0.000 -2.346) 4.825 38.230 ( 3.934 0.000 1.268) 4.133 38.249 ( 10.107 0.000 0.359) 10.114 39.722 ( -37.620 0.000 30.677) 48.542 40.285 ( -24.039 0.000 -3.514) 24.294 ======================= Grid point 201 (64/120) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 18.891 0.000 4.008) 19.312 1.839 ( 18.803 0.000 14.436) 23.706 2.261 ( 3.068 0.000 -18.462) 18.715 2.551 ( 7.434 0.000 -17.429) 18.948 2.801 ( -18.952 0.000 3.322) 19.241 2.880 ( -15.130 0.000 3.512) 15.532 3.102 ( -10.250 0.000 -5.395) 11.584 3.155 ( -18.740 0.000 -11.344) 21.906 3.491 ( 27.638 0.000 26.003) 37.947 4.299 ( 4.736 0.000 9.606) 10.710 4.416 ( 1.044 0.000 3.747) 3.890 4.486 ( 13.209 0.000 -15.223) 20.155 4.835 ( -12.150 0.000 1.498) 12.242 5.065 ( -4.077 0.000 -8.497) 9.425 5.662 ( 6.438 0.000 10.232) 12.089 5.792 ( 5.259 0.000 6.935) 8.703 5.940 ( 3.235 0.000 4.426) 5.482 5.955 ( 3.804 0.000 14.814) 15.294 6.083 ( -1.202 0.000 6.303) 6.416 6.092 ( 0.302 0.000 17.334) 17.337 6.251 ( 8.134 0.000 -9.620) 12.598 6.473 ( 7.488 0.000 -9.120) 11.801 6.709 ( -0.648 0.000 -10.758) 10.777 6.718 ( 4.455 0.000 -4.972) 6.676 6.774 ( 7.526 0.000 -2.676) 7.987 6.995 ( 8.856 0.000 -12.901) 15.648 7.400 ( 11.194 0.000 11.200) 15.835 7.708 ( 6.309 0.000 -0.435) 6.324 7.747 ( -15.885 0.000 7.535) 17.582 8.089 ( -17.934 0.000 -7.830) 19.569 8.402 ( 2.024 0.000 11.700) 11.874 8.759 ( -7.114 0.000 -3.078) 7.751 9.888 ( -3.271 0.000 1.334) 3.533 9.908 ( -5.501 0.000 2.997) 6.265 10.089 ( -3.259 0.000 -2.697) 4.230 10.248 ( -9.716 0.000 -5.518) 11.174 16.574 ( 3.148 0.000 3.699) 4.857 16.711 ( 1.274 0.000 -1.716) 2.137 16.834 ( -1.153 0.000 2.499) 2.752 16.990 ( -3.610 0.000 -3.729) 5.191 17.282 ( 2.091 0.000 10.434) 10.641 17.453 ( -3.539 0.000 6.769) 7.638 17.810 ( 0.592 0.000 -8.843) 8.863 17.867 ( -1.689 0.000 -10.744) 10.876 20.610 ( 18.628 0.000 4.481) 19.160 20.981 ( 16.743 0.000 -14.631) 22.235 21.511 ( -10.701 0.000 2.343) 10.955 21.646 ( -7.631 0.000 -3.844) 8.545 27.577 ( 1.122 0.000 1.674) 2.015 27.640 ( -1.034 0.000 -1.330) 1.685 27.675 ( -0.353 0.000 -0.866) 0.936 27.690 ( -0.229 0.000 -1.668) 1.684 37.064 ( 5.635 0.000 3.382) 6.572 37.219 ( 4.900 0.000 -3.650) 6.110 37.471 ( -6.006 0.000 2.888) 6.664 37.593 ( -5.611 0.000 -2.640) 6.201 38.324 ( 6.283 0.000 5.779) 8.536 38.500 ( 15.615 0.000 -2.239) 15.775 39.122 ( -25.028 0.000 28.090) 37.623 39.790 ( -26.533 0.000 -6.756) 27.380 ======================= Grid point 202 (65/120) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 19.561 0.000 -1.759) 19.640 2.205 ( 19.059 0.000 9.811) 21.436 2.387 ( -1.181 0.000 -10.149) 10.217 2.468 ( -4.075 0.000 -4.678) 6.204 2.560 ( -17.636 0.000 6.698) 18.865 2.714 ( 9.143 0.000 -13.308) 16.146 2.766 ( -20.181 0.000 -12.695) 23.842 2.903 ( -10.295 0.000 -8.592) 13.410 4.021 ( 26.430 0.000 17.913) 31.928 4.375 ( 3.091 0.000 8.775) 9.303 4.416 ( -1.085 0.000 6.805) 6.891 4.481 ( -20.601 0.000 7.040) 21.771 4.758 ( 11.501 0.000 -9.526) 14.934 4.954 ( -8.153 0.000 -10.064) 12.953 5.776 ( 5.144 0.000 9.939) 11.191 5.841 ( -0.818 0.000 8.252) 8.292 5.989 ( 2.629 0.000 4.246) 4.994 6.026 ( 3.471 0.000 16.623) 16.982 6.042 ( -2.639 0.000 4.447) 5.171 6.079 ( -1.778 0.000 17.350) 17.441 6.430 ( 9.861 0.000 -13.415) 16.649 6.595 ( 5.201 0.000 -9.605) 10.923 6.613 ( -8.842 0.000 -14.675) 17.133 6.674 ( -3.021 0.000 -10.150) 10.590 7.056 ( 17.006 0.000 4.160) 17.507 7.276 ( 12.617 0.000 -4.948) 13.552 7.440 ( -10.840 0.000 4.026) 11.564 7.598 ( 8.907 0.000 12.301) 15.187 7.715 ( -20.523 0.000 -7.095) 21.715 7.724 ( -3.681 0.000 8.229) 9.015 8.488 ( 6.351 0.000 6.230) 8.896 8.622 ( -7.192 0.000 1.437) 7.334 9.834 ( -1.621 0.000 1.597) 2.275 9.838 ( -1.834 0.000 0.403) 1.878 10.059 ( 0.490 0.000 -6.860) 6.877 10.111 ( -4.843 0.000 -7.902) 9.268 16.638 ( 3.419 0.000 3.470) 4.872 16.698 ( -2.484 0.000 2.306) 3.390 16.851 ( 2.747 0.000 -1.797) 3.283 16.918 ( -3.819 0.000 -3.243) 5.010 17.330 ( 2.833 0.000 8.531) 8.989 17.389 ( -3.214 0.000 7.164) 7.852 17.824 ( 0.824 0.000 -9.272) 9.309 17.842 ( -1.071 0.000 -10.180) 10.236 20.960 ( 17.379 0.000 4.208) 17.881 21.249 ( 1.968 0.000 -5.305) 5.659 21.280 ( -3.713 0.000 -1.702) 4.085 21.478 ( -9.908 0.000 -6.443) 11.818 27.598 ( 1.096 0.000 0.514) 1.210 27.619 ( -1.100 0.000 -0.545) 1.227 27.675 ( 0.309 0.000 -1.068) 1.112 27.683 ( -0.430 0.000 -1.319) 1.387 37.181 ( 6.377 0.000 2.949) 7.025 37.282 ( -1.579 0.000 -0.309) 1.609 37.390 ( 0.777 0.000 0.048) 0.778 37.479 ( -6.001 0.000 -2.702) 6.581 38.480 ( 10.141 0.000 12.119) 15.802 38.718 ( -13.193 0.000 18.181) 22.464 38.865 ( 17.847 0.000 -3.284) 18.146 39.294 ( -24.651 0.000 -7.050) 25.639 ======================= Grid point 207 (66/120) ======================= q-point: ( 0.00 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 0.000 9.912 28.124) 29.820 1.481 ( 0.000 23.589 24.261) 33.839 2.309 ( 0.000 15.423 21.156) 26.180 2.490 ( 0.000 12.332 -22.814) 25.933 2.608 ( 0.000 10.927 -2.882) 11.300 3.398 ( 0.000 5.157 -2.105) 5.570 3.429 ( 0.000 -5.323 1.589) 5.555 3.587 ( 0.000 3.448 -3.955) 5.247 3.600 ( 0.000 -1.310 3.411) 3.654 4.216 ( 0.000 11.751 4.944) 12.748 4.358 ( 0.000 -2.478 -32.480) 32.575 4.382 ( 0.000 7.323 -3.975) 8.332 4.485 ( 0.000 -5.087 16.372) 17.144 5.213 ( 0.000 -8.766 -15.813) 18.081 5.526 ( 0.000 5.341 7.591) 9.282 5.603 ( 0.000 4.623 6.970) 8.364 5.654 ( 0.000 -0.160 4.733) 4.736 5.817 ( 0.000 -4.019 -8.723) 9.604 5.847 ( 0.000 15.767 7.982) 17.672 6.094 ( 0.000 0.577 12.550) 12.563 6.175 ( 0.000 22.169 -9.081) 23.957 6.273 ( 0.000 10.376 17.081) 19.986 6.610 ( 0.000 1.154 -9.902) 9.969 6.672 ( 0.000 6.875 5.273) 8.664 6.738 ( 0.000 13.247 -3.400) 13.676 6.959 ( 0.000 21.126 -0.672) 21.136 7.145 ( 0.000 -2.925 -3.606) 4.643 7.194 ( 0.000 10.041 -19.883) 22.275 8.256 ( 0.000 -0.169 8.149) 8.151 8.488 ( 0.000 1.106 14.763) 14.805 8.611 ( 0.000 -3.516 -8.105) 8.834 9.031 ( 0.000 -1.837 -10.075) 10.241 9.922 ( 0.000 -7.795 4.138) 8.825 10.065 ( 0.000 -6.100 -3.332) 6.950 10.242 ( 0.000 -7.645 14.289) 16.205 10.838 ( 0.000 -12.545 -11.503) 17.021 16.609 ( 0.000 12.882 4.552) 13.662 16.790 ( 0.000 13.310 -3.308) 13.715 16.953 ( 0.000 3.709 3.678) 5.223 17.129 ( 0.000 1.975 -3.935) 4.403 17.173 ( 0.000 -5.995 13.040) 14.352 17.660 ( 0.000 -5.822 5.762) 8.191 17.746 ( 0.000 -4.805 -11.513) 12.475 17.902 ( 0.000 -7.656 -6.704) 10.176 19.876 ( 0.000 0.010 0.217) 0.217 19.885 ( 0.000 -0.029 -0.185) 0.187 21.806 ( 0.000 -0.268 1.371) 1.396 21.869 ( 0.000 -0.581 -1.459) 1.570 27.497 ( 0.000 -3.627 3.266) 4.881 27.642 ( 0.000 -3.881 -3.208) 5.036 27.654 ( 0.000 -2.342 1.308) 2.682 27.706 ( 0.000 -2.585 -1.066) 2.796 36.940 ( 0.000 4.998 3.674) 6.203 37.110 ( 0.000 5.240 -3.941) 6.557 37.776 ( 0.000 -0.151 -0.225) 0.271 37.778 ( 0.000 7.094 -1.438) 7.238 38.049 ( 0.000 0.575 4.396) 4.433 38.257 ( 0.000 8.760 -4.867) 10.021 40.696 ( 0.000 -10.786 4.189) 11.571 40.842 ( 0.000 -10.972 -1.242) 11.042 ======================= Grid point 208 (67/120) ======================= q-point: ( 0.11 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 0.506 9.605 25.531) 27.283 1.577 ( 8.641 24.448 21.846) 33.906 2.342 ( 0.384 7.780 -5.279) 9.410 2.527 ( 3.631 13.291 -19.991) 24.279 2.687 ( 10.873 14.586 18.313) 25.814 3.282 ( -9.613 -2.100 2.827) 10.238 3.393 ( -5.923 2.756 -1.214) 6.645 3.552 ( -4.549 6.087 -0.060) 7.600 3.591 ( -0.858 -2.943 -3.268) 4.481 4.215 ( -4.345 1.054 -9.122) 10.159 4.241 ( 0.760 8.491 0.959) 8.578 4.416 ( 3.425 7.717 -4.979) 9.802 4.679 ( 11.573 -5.184 -2.976) 13.025 5.187 ( -2.697 -8.352 -13.774) 16.332 5.561 ( 3.091 5.377 8.135) 10.229 5.646 ( 5.086 5.751 7.836) 10.970 5.736 ( 7.586 0.643 3.493) 8.376 5.854 ( 3.853 5.139 2.331) 6.833 5.934 ( 7.090 5.393 2.968) 9.390 6.106 ( 1.537 1.489 9.700) 9.933 6.198 ( 2.373 17.293 -5.437) 18.282 6.269 ( -0.089 12.061 13.020) 17.748 6.595 ( -0.025 0.900 -5.494) 5.568 6.720 ( -0.331 11.151 -2.788) 11.499 6.759 ( 5.323 12.003 -3.142) 13.501 7.037 ( 6.525 8.878 1.810) 11.166 7.166 ( -2.835 9.920 -19.687) 22.226 7.238 ( 10.364 2.428 -5.010) 11.765 8.199 ( -5.813 0.199 7.853) 9.773 8.457 ( -3.308 0.068 13.217) 13.625 8.554 ( -5.689 -2.493 -6.437) 8.945 8.987 ( -4.408 -1.836 -9.073) 10.253 9.908 ( -1.479 -8.093 3.770) 9.050 10.035 ( -3.219 -6.638 -2.403) 7.759 10.200 ( -3.989 -6.745 11.660) 14.049 10.701 ( -12.632 -9.437 -7.757) 17.572 16.615 ( 0.583 12.220 4.421) 13.008 16.784 ( -0.392 12.091 -2.850) 12.429 16.941 ( -1.225 3.632 3.808) 5.403 17.113 ( -1.535 1.498 -3.180) 3.835 17.184 ( 1.036 -4.568 11.874) 12.765 17.596 ( -5.114 -4.005 6.730) 9.353 17.751 ( 0.461 -4.562 -10.895) 11.820 17.883 ( -1.822 -7.111 -7.473) 10.475 19.987 ( 10.381 -0.356 0.974) 10.432 20.107 ( 20.588 -3.311 -6.565) 21.862 21.774 ( -3.367 -0.294 1.435) 3.672 21.842 ( -2.808 -0.646 -1.631) 3.311 27.503 ( 0.601 -3.619 3.115) 4.813 27.637 ( -0.437 -3.335 -2.074) 3.952 27.654 ( 0.002 -3.008 -0.171) 3.013 27.693 ( -1.303 -2.586 -0.960) 3.050 36.964 ( 2.456 5.299 3.625) 6.874 37.132 ( 2.255 5.449 -3.911) 7.076 37.754 ( -2.052 5.795 -0.465) 6.165 37.773 ( -0.908 3.336 -1.048) 3.612 38.091 ( 4.510 -0.403 3.493) 5.718 38.256 ( 0.003 7.411 -3.878) 8.364 40.446 ( -33.387 -5.113 11.622) 35.720 40.568 ( -15.417 -9.934 2.124) 18.463 ======================= Grid point 209 (68/120) ======================= q-point: ( 0.22 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 9.173 8.299 15.616) 19.922 1.792 ( 13.433 22.832 17.174) 31.571 2.308 ( -2.386 4.518 -19.072) 19.745 2.602 ( 4.506 13.624 -18.983) 23.797 3.021 ( 9.006 5.725 16.320) 19.500 3.063 ( -1.503 2.523 13.945) 14.251 3.222 ( -10.416 4.112 0.550) 11.212 3.425 ( -8.422 10.297 -2.702) 13.574 3.494 ( -9.638 -0.373 -4.487) 10.638 4.220 ( 5.643 -1.475 -11.025) 12.473 4.299 ( 3.821 9.213 6.873) 12.112 4.497 ( 4.704 9.297 -3.908) 11.128 4.848 ( 5.208 -5.477 -5.680) 9.454 5.110 ( -5.202 -5.933 -8.618) 11.685 5.651 ( 6.289 5.272 9.028) 12.200 5.773 ( 7.459 7.978 7.419) 13.203 5.910 ( 9.314 4.575 3.430) 10.929 5.938 ( 4.342 7.426 7.995) 11.744 6.037 ( 2.328 1.664 12.010) 12.346 6.189 ( 7.491 5.641 -2.631) 9.740 6.237 ( 0.588 6.084 12.207) 13.652 6.314 ( 6.412 14.097 -4.291) 16.070 6.606 ( 0.914 2.005 -5.242) 5.686 6.752 ( 4.437 8.537 -3.472) 10.228 6.832 ( 2.370 10.057 -6.754) 12.344 7.078 ( -5.152 10.563 -17.591) 21.155 7.209 ( 10.533 2.000 5.851) 12.214 7.490 ( 12.740 1.636 -5.252) 13.877 8.043 ( -9.819 2.031 6.607) 12.008 8.337 ( -10.536 -3.645 -1.879) 11.306 8.435 ( -4.617 1.116 8.638) 9.858 8.876 ( -6.697 -1.798 -6.559) 9.545 9.864 ( -3.066 -8.761 3.085) 9.781 9.945 ( -5.728 -6.845 -0.131) 8.927 10.110 ( -4.963 -5.613 4.773) 8.884 10.433 ( -13.690 -5.019 -4.550) 15.275 16.632 ( 1.231 10.473 4.117) 11.320 16.782 ( 0.226 9.376 -2.277) 9.651 16.910 ( -1.818 3.787 3.741) 5.625 17.074 ( -2.422 1.998 -3.381) 4.614 17.212 ( 1.929 -2.945 10.905) 11.459 17.505 ( -4.105 -2.255 6.805) 8.262 17.762 ( 0.641 -4.056 -10.076) 10.880 17.844 ( -1.938 -5.915 -8.755) 10.742 20.255 ( 16.690 -0.815 2.972) 16.972 20.537 ( 22.069 -6.148 -12.683) 26.185 21.675 ( -6.936 -0.376 1.665) 7.143 21.761 ( -5.532 -0.900 -2.230) 6.032 27.519 ( 1.026 -3.586 2.649) 4.575 27.626 ( -0.737 -2.984 -1.359) 3.361 27.653 ( -0.070 -3.657 -1.426) 3.926 27.664 ( -1.399 -2.626 -0.801) 3.081 37.033 ( 4.695 6.167 3.436) 8.478 37.195 ( 4.208 6.014 -3.846) 8.287 37.693 ( -4.334 9.089 0.050) 10.069 37.739 ( -2.697 4.652 -1.376) 5.550 38.227 ( 9.709 -1.952 1.149) 9.970 38.268 ( 1.615 3.902 -0.748) 4.289 39.730 ( -36.352 1.074 25.231) 44.264 40.195 ( -23.113 -8.613 -2.528) 24.794 ======================= Grid point 210 (69/120) ======================= q-point: ( 0.33 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 16.883 5.254 4.391) 18.219 2.070 ( 14.607 17.724 10.893) 25.419 2.306 ( 3.605 5.043 -16.200) 17.345 2.706 ( 6.227 12.690 -13.612) 19.624 2.750 ( -16.131 -1.587 1.626) 16.291 2.944 ( -15.332 3.018 -2.717) 15.861 3.193 ( -14.171 7.938 -5.889) 17.277 3.271 ( -10.734 11.312 -4.445) 16.216 3.550 ( 24.794 6.761 23.128) 34.574 4.345 ( 3.648 1.202 1.826) 4.253 4.388 ( 6.538 2.634 0.549) 7.069 4.591 ( 5.001 8.072 -6.723) 11.635 4.837 ( -6.550 0.522 1.738) 6.797 5.017 ( -3.764 -4.186 -6.659) 8.720 5.786 ( 7.209 5.324 9.285) 12.904 5.913 ( 6.520 8.112 6.978) 12.531 6.003 ( 2.690 8.586 11.040) 14.242 6.045 ( 1.675 6.121 5.663) 8.506 6.066 ( 3.767 6.839 10.740) 13.279 6.228 ( -1.216 8.466 11.806) 14.579 6.351 ( 8.609 10.598 -8.221) 15.938 6.488 ( 9.857 3.998 -5.506) 11.978 6.635 ( 1.967 -0.764 -6.739) 7.062 6.835 ( 2.302 5.402 -5.091) 7.772 6.912 ( 2.394 13.466 -5.768) 14.843 7.001 ( 4.429 0.992 -13.220) 13.978 7.433 ( 11.676 3.685 8.971) 15.179 7.589 ( -5.560 -5.392 4.010) 8.722 7.883 ( -4.750 7.410 2.828) 9.245 8.071 ( -15.980 -1.761 -6.487) 17.337 8.399 ( 1.105 -0.315 11.089) 11.148 8.743 ( -7.034 -1.672 -3.143) 7.883 9.798 ( -3.380 -8.831 2.409) 9.758 9.840 ( -4.692 -5.937 -0.090) 7.568 10.025 ( -3.374 -5.737 -1.604) 6.846 10.208 ( -9.566 -3.578 -5.874) 11.782 16.663 ( 1.968 8.296 3.731) 9.307 16.785 ( -0.436 6.382 -0.684) 6.433 16.884 ( -0.371 4.844 1.857) 5.201 17.021 ( -3.054 2.951 -3.411) 5.447 17.257 ( 2.676 -1.819 9.601) 10.131 17.435 ( -3.334 -1.577 6.474) 7.451 17.775 ( 0.658 -3.604 -9.333) 10.027 17.815 ( -1.091 -4.835 -9.542) 10.752 20.600 ( 18.624 -0.999 4.032) 19.082 20.919 ( 17.636 -5.657 -12.112) 22.129 21.505 ( -10.796 -0.515 2.191) 11.029 21.631 ( -8.069 -1.486 -3.526) 8.931 27.541 ( 1.189 -3.503 1.859) 4.140 27.608 ( -1.097 -3.040 -0.903) 3.356 27.644 ( -0.518 -3.060 -1.056) 3.279 27.651 ( -0.215 -3.574 -1.500) 3.882 37.141 ( 6.415 7.439 2.972) 10.262 37.288 ( 5.275 6.708 -3.754) 9.323 37.592 ( -5.948 10.764 0.849) 12.327 37.668 ( -4.657 7.005 -2.066) 8.661 38.327 ( 4.977 0.450 4.522) 6.740 38.468 ( 15.115 -3.265 -1.832) 15.571 39.128 ( -26.024 0.951 25.133) 36.192 39.718 ( -25.729 -7.034 -5.745) 27.285 ======================= Grid point 211 (70/120) ======================= q-point: ( 0.44 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 18.288 2.391 -1.893) 18.540 2.311 ( 8.929 5.773 -3.230) 11.113 2.408 ( -6.706 2.425 1.430) 7.273 2.515 ( 3.291 7.141 -3.524) 8.616 2.639 ( -11.054 5.444 -1.869) 12.463 2.799 ( -5.627 7.497 -5.244) 10.741 2.940 ( -2.996 16.427 -11.029) 20.012 3.072 ( -9.881 14.642 -8.057) 19.415 4.014 ( 22.053 0.914 15.989) 27.255 4.325 ( -7.794 -2.340 8.398) 11.694 4.490 ( 3.732 5.931 3.001) 7.623 4.581 ( -7.036 6.346 -0.459) 9.487 4.794 ( 6.247 5.078 -1.419) 8.175 4.929 ( -6.130 -1.662 -6.615) 9.170 5.910 ( 5.352 2.951 10.341) 12.012 5.977 ( -0.985 1.605 10.462) 10.630 6.044 ( 2.138 12.391 7.031) 14.406 6.062 ( 0.642 12.131 7.659) 14.361 6.129 ( 2.786 10.864 8.867) 14.297 6.187 ( -2.913 10.088 10.367) 14.755 6.516 ( 8.156 6.874 -10.072) 14.670 6.627 ( -0.291 2.918 -9.057) 9.520 6.646 ( 3.437 3.400 -10.448) 11.513 6.767 ( -7.128 12.261 -12.748) 19.069 7.036 ( 13.791 -1.577 4.819) 14.694 7.271 ( 14.740 -0.183 -5.153) 15.616 7.351 ( -12.705 -6.352 5.868) 15.368 7.580 ( -4.058 -1.195 0.686) 4.285 7.759 ( -4.736 5.204 4.757) 8.493 7.838 ( -6.204 7.761 4.593) 10.946 8.475 ( 6.166 -1.295 5.774) 8.546 8.607 ( -7.117 -1.506 1.046) 7.349 9.754 ( -0.751 -7.468 0.974) 7.568 9.772 ( -2.370 -6.293 -0.183) 6.727 9.999 ( 0.964 -5.509 -6.010) 8.210 10.063 ( -5.550 -4.414 -7.351) 10.214 16.707 ( 2.522 6.386 3.235) 7.590 16.755 ( -2.351 5.278 2.194) 6.181 16.905 ( 2.335 5.076 -1.534) 5.794 16.960 ( -3.166 4.039 -2.912) 5.901 17.312 ( 3.062 -1.297 8.146) 8.799 17.373 ( -3.190 -1.274 6.958) 7.759 17.787 ( 0.619 -3.576 -9.211) 9.900 17.799 ( -0.642 -4.041 -9.550) 10.390 20.950 ( 17.483 -0.901 3.838) 17.922 21.214 ( 11.333 -3.698 -8.137) 14.433 21.265 ( -12.225 -1.038 2.224) 12.469 21.451 ( -10.630 -2.533 -5.775) 12.359 27.564 ( 1.179 -3.360 0.852) 3.661 27.586 ( -1.176 -3.194 -0.119) 3.406 27.642 ( 0.128 -3.281 -1.217) 3.502 27.646 ( -0.306 -3.529 -1.379) 3.801 37.272 ( 6.932 8.597 1.896) 11.205 37.365 ( 0.101 7.590 -2.046) 7.862 37.498 ( -1.196 10.614 0.306) 10.686 37.567 ( -5.525 8.566 -2.333) 10.457 38.468 ( 9.927 -1.159 11.258) 15.054 38.717 ( -15.149 -0.078 17.832) 23.399 38.812 ( 18.535 -5.168 -3.706) 19.595 39.235 ( -24.046 -5.756 -6.288) 25.512 ======================= Grid point 216 (71/120) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 0.000 16.349 22.388) 27.722 1.839 ( 0.000 14.648 20.462) 25.165 2.580 ( 0.000 10.534 -16.584) 19.647 2.670 ( 0.000 5.343 -15.525) 16.419 3.091 ( 0.000 31.976 19.324) 37.362 3.319 ( 0.000 -3.237 3.634) 4.866 3.582 ( 0.000 8.667 -7.075) 11.188 3.624 ( 0.000 3.375 0.924) 3.499 3.644 ( 0.000 3.587 -3.985) 5.361 4.296 ( 0.000 -8.011 10.603) 13.289 4.319 ( 0.000 -0.264 -27.381) 27.382 4.520 ( 0.000 13.225 5.706) 14.403 4.563 ( 0.000 10.621 -4.228) 11.431 4.989 ( 0.000 -13.303 -13.499) 18.952 5.528 ( 0.000 -2.218 2.940) 3.683 5.653 ( 0.000 -3.001 0.265) 3.013 5.662 ( 0.000 1.441 6.457) 6.616 5.790 ( 0.000 4.883 -3.626) 6.082 6.118 ( 0.000 5.329 13.266) 14.296 6.305 ( 0.000 15.634 15.654) 22.123 6.580 ( 0.000 4.161 -7.129) 8.255 6.641 ( 0.000 30.006 11.835) 32.256 6.728 ( 0.000 2.571 3.466) 4.315 6.751 ( 0.000 23.005 -10.578) 25.321 6.966 ( 0.000 1.647 -5.578) 5.816 7.093 ( 0.000 7.110 -3.219) 7.805 7.419 ( 0.000 20.897 0.082) 20.898 7.545 ( 0.000 23.697 -8.569) 25.198 8.219 ( 0.000 -3.982 7.217) 8.242 8.510 ( 0.000 -6.555 -7.113) 9.673 8.517 ( 0.000 1.464 12.990) 13.072 8.976 ( 0.000 -3.700 -7.639) 8.487 9.728 ( 0.000 -9.443 4.097) 10.293 9.931 ( 0.000 -6.025 -6.853) 9.125 10.105 ( 0.000 -5.425 10.617) 11.922 10.619 ( 0.000 -8.809 -11.345) 14.363 16.892 ( 0.000 -6.099 6.697) 9.058 16.906 ( 0.000 14.780 4.604) 15.480 17.049 ( 0.000 4.783 3.433) 5.887 17.174 ( 0.000 2.073 -3.331) 3.923 17.196 ( 0.000 11.219 1.662) 11.341 17.570 ( 0.000 -1.980 5.697) 6.031 17.592 ( 0.000 -9.595 -12.665) 15.889 17.756 ( 0.000 -5.924 -3.897) 7.090 19.876 ( 0.000 0.022 0.192) 0.193 19.884 ( 0.000 -0.057 -0.158) 0.168 21.799 ( 0.000 -0.397 1.175) 1.241 21.853 ( 0.000 -0.971 -1.260) 1.591 27.403 ( 0.000 -5.569 3.135) 6.391 27.538 ( 0.000 -6.417 -2.888) 7.037 27.591 ( 0.000 -3.776 1.137) 3.944 27.637 ( 0.000 -4.255 -0.921) 4.354 37.073 ( 0.000 8.100 3.840) 8.964 37.244 ( 0.000 7.829 -3.437) 8.551 37.756 ( 0.000 -1.668 1.799) 2.453 37.862 ( 0.000 1.063 -3.571) 3.725 38.079 ( 0.000 1.972 6.398) 6.695 38.472 ( 0.000 11.332 -10.387) 15.372 40.435 ( 0.000 -14.062 6.824) 15.630 40.633 ( 0.000 -8.967 -1.065) 9.030 ======================= Grid point 217 (72/120) ======================= q-point: ( 0.11 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -0.250 15.822 19.114) 24.814 1.956 ( 9.742 14.754 18.291) 25.439 2.522 ( -4.375 9.461 -17.562) 20.423 2.723 ( 4.069 5.773 -14.437) 16.072 3.175 ( 8.059 26.367 19.706) 33.889 3.253 ( -6.052 3.008 2.931) 7.366 3.489 ( -9.268 5.116 -6.017) 12.177 3.575 ( -3.015 1.566 -0.681) 3.465 3.662 ( -0.257 5.148 -2.823) 5.877 4.226 ( -1.225 2.616 -3.877) 4.835 4.427 ( 5.085 1.361 -5.703) 7.761 4.570 ( 5.027 7.096 -7.431) 11.438 4.631 ( 5.758 7.831 1.240) 9.799 4.976 ( -0.722 -12.096 -11.838) 16.940 5.589 ( 5.030 -1.480 4.316) 6.791 5.704 ( 5.493 1.922 7.454) 9.457 5.718 ( 6.571 -2.853 0.367) 7.173 5.873 ( 7.255 3.546 -0.761) 8.111 6.128 ( 1.163 5.002 11.160) 12.285 6.318 ( 1.199 12.761 11.939) 17.516 6.569 ( -0.403 11.702 -1.924) 11.866 6.624 ( -1.680 16.125 3.014) 16.490 6.706 ( 1.960 19.322 -0.463) 19.426 6.872 ( 6.664 14.049 -3.074) 15.850 6.960 ( -0.581 2.663 -3.849) 4.716 7.122 ( 3.639 6.299 -3.420) 8.038 7.469 ( 4.056 17.704 -1.392) 18.216 7.531 ( -0.532 23.712 -6.810) 24.676 8.171 ( -4.802 -3.543 6.776) 9.030 8.430 ( -6.744 -4.225 -1.932) 8.189 8.512 ( -1.931 -0.369 7.839) 8.081 8.933 ( -4.337 -3.617 -6.941) 8.948 9.709 ( -1.991 -9.639 3.762) 10.537 9.897 ( -3.409 -5.902 -6.503) 9.420 10.074 ( -3.102 -5.274 9.112) 10.976 10.532 ( -8.376 -7.040 -9.477) 14.475 16.871 ( -1.515 2.394 5.462) 6.153 16.915 ( 0.296 6.503 4.430) 7.874 17.035 ( -1.350 5.162 2.940) 6.092 17.163 ( -1.020 3.620 -3.146) 4.903 17.206 ( 0.985 9.131 2.751) 9.587 17.530 ( -3.255 -1.534 5.164) 6.294 17.607 ( 1.208 -8.830 -11.155) 14.278 17.747 ( -0.807 -5.516 -4.320) 7.053 19.979 ( 9.815 -0.433 0.700) 9.850 20.045 ( 15.742 -2.669 -2.800) 16.210 21.766 ( -3.437 -0.434 1.230) 3.676 21.825 ( -2.995 -1.069 -1.395) 3.473 27.409 ( 0.623 -5.557 3.014) 6.353 27.538 ( 0.078 -6.302 -2.767) 6.883 27.584 ( -0.702 -3.938 0.890) 4.098 27.624 ( -1.285 -4.218 -0.833) 4.487 37.104 ( 3.255 8.560 3.726) 9.887 37.273 ( 2.917 8.293 -3.437) 9.439 37.766 ( 0.943 -0.949 1.929) 2.348 37.876 ( 1.039 2.468 -4.133) 4.925 38.092 ( 1.750 0.478 6.159) 6.421 38.448 ( -2.425 10.525 -9.405) 14.322 40.301 ( -14.673 -11.715 5.545) 19.577 40.375 ( -23.398 -5.400 4.273) 24.390 ======================= Grid point 218 (73/120) ======================= q-point: ( 0.22 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 6.393 13.964 11.151) 18.979 2.161 ( 10.834 13.411 12.395) 21.234 2.443 ( -3.058 8.303 -16.097) 18.369 2.805 ( 4.043 5.588 -11.164) 13.123 3.067 ( -10.877 4.230 0.001) 11.670 3.268 ( -13.061 3.595 -6.239) 14.915 3.405 ( 9.309 15.932 13.428) 22.821 3.506 ( -0.210 7.571 5.452) 9.332 3.630 ( -3.007 8.823 -3.307) 9.891 4.261 ( 4.486 6.118 -3.973) 8.564 4.494 ( 1.600 6.818 -0.583) 7.027 4.673 ( 4.500 2.067 -14.860) 15.663 4.751 ( 6.572 3.567 4.748) 8.857 4.980 ( 0.964 -5.156 -6.451) 8.314 5.694 ( 5.888 -0.277 7.045) 9.185 5.827 ( 6.287 0.008 7.165) 9.532 5.920 ( 13.473 -2.161 3.057) 13.983 6.024 ( 7.618 4.742 5.349) 10.446 6.169 ( 3.360 3.573 6.162) 7.876 6.347 ( 1.982 8.183 4.669) 9.628 6.580 ( 1.455 20.808 1.879) 20.943 6.619 ( 1.315 8.373 -1.134) 8.551 6.758 ( 3.138 17.067 -1.992) 17.467 6.947 ( -0.488 3.189 -0.119) 3.228 6.960 ( 2.809 18.011 -4.064) 18.676 7.238 ( 6.508 4.319 -7.268) 10.669 7.480 ( 0.139 23.429 0.009) 23.430 7.596 ( 3.610 9.980 -0.679) 10.634 8.062 ( -5.126 -0.753 4.312) 6.741 8.255 ( -11.358 -4.620 -3.670) 12.800 8.452 ( -3.797 0.974 9.935) 10.680 8.824 ( -6.526 -3.387 -5.303) 9.065 9.658 ( -3.097 -9.692 2.862) 10.569 9.811 ( -5.201 -5.572 -5.726) 9.533 9.994 ( -4.972 -5.304 5.578) 9.163 10.335 ( -11.192 -4.502 -6.771) 13.834 16.844 ( -1.130 4.933 4.078) 6.499 16.913 ( -0.575 4.145 2.375) 4.812 17.007 ( -1.283 5.863 2.581) 6.533 17.136 ( -1.765 4.126 -3.075) 5.440 17.233 ( 1.843 7.066 4.907) 8.798 17.468 ( -2.982 -0.426 5.845) 6.575 17.636 ( 1.688 -7.727 -10.610) 13.234 17.730 ( -0.810 -4.698 -5.240) 7.084 20.236 ( 16.233 -1.008 2.149) 16.406 20.408 ( 20.493 -6.132 -6.597) 22.385 21.666 ( -7.080 -0.551 1.410) 7.240 21.738 ( -6.044 -1.436 -1.841) 6.479 27.426 ( 1.090 -5.512 2.657) 6.215 27.540 ( -0.006 -5.827 -2.331) 6.276 27.566 ( -1.112 -4.572 0.325) 4.717 27.595 ( -1.479 -4.221 -0.754) 4.536 37.195 ( 6.121 9.818 3.262) 12.021 37.352 ( 5.224 9.447 -3.497) 11.347 37.790 ( 1.377 1.787 2.046) 3.046 37.878 ( -1.263 6.288 -3.599) 7.355 38.173 ( 7.231 -3.400 3.501) 8.723 38.390 ( -3.209 7.675 -6.217) 10.385 39.772 ( -32.681 3.120 13.587) 35.530 39.984 ( -21.267 -11.473 1.099) 24.189 ======================= Grid point 219 (74/120) ======================= q-point: ( 0.33 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 13.102 10.307 2.379) 16.839 2.319 ( 4.305 7.586 -6.594) 10.935 2.460 ( 5.482 7.326 1.260) 9.236 2.787 ( -7.863 6.469 -0.241) 10.185 2.927 ( -5.269 5.466 -8.489) 11.389 3.016 ( -8.223 7.327 -7.891) 13.548 3.324 ( -7.785 4.004 0.049) 8.755 3.522 ( -6.658 11.256 -7.301) 14.977 3.785 ( 17.656 16.954 16.721) 29.644 4.368 ( 5.013 3.644 -2.367) 6.634 4.493 ( -0.664 4.730 0.083) 4.777 4.715 ( -0.230 -1.241 -13.418) 13.478 4.874 ( 5.745 7.144 7.434) 11.803 4.997 ( 0.517 5.263 0.297) 5.296 5.799 ( 4.674 -2.027 8.285) 9.726 5.920 ( 2.631 -1.426 7.860) 8.411 6.150 ( 5.903 8.386 7.436) 12.667 6.179 ( 11.041 1.894 1.334) 11.282 6.267 ( 7.417 -0.068 6.658) 9.967 6.404 ( 4.076 7.649 -0.985) 8.723 6.611 ( 1.533 24.309 3.786) 24.650 6.652 ( 1.101 1.781 -3.006) 3.663 6.839 ( 5.575 16.080 -3.445) 17.365 6.953 ( 1.724 8.878 1.121) 9.113 7.020 ( 4.097 10.456 -6.524) 12.988 7.269 ( -2.092 16.590 -9.910) 19.437 7.526 ( -7.388 -0.539 6.061) 9.571 7.589 ( 5.414 13.813 4.322) 15.453 7.999 ( -10.804 1.210 -0.791) 10.901 8.037 ( -2.001 1.525 -1.245) 2.807 8.395 ( -1.090 0.186 9.684) 9.747 8.695 ( -6.764 -3.048 -3.075) 8.032 9.604 ( -2.085 -8.928 1.529) 9.294 9.712 ( -4.758 -5.572 -4.263) 8.477 9.903 ( -3.772 -5.776 0.961) 6.965 10.128 ( -10.012 -4.085 -6.038) 12.384 16.831 ( -0.140 5.579 2.802) 6.245 16.892 ( -1.475 3.602 0.950) 4.007 16.996 ( 0.267 5.816 1.702) 6.066 17.097 ( -2.251 4.236 -2.751) 5.530 17.274 ( 2.381 5.195 6.265) 8.480 17.416 ( -2.481 0.653 6.045) 6.567 17.668 ( 1.580 -6.331 -9.694) 11.685 17.718 ( -0.486 -4.207 -6.323) 7.610 20.576 ( 18.568 -1.303 3.006) 18.855 20.791 ( 18.814 -6.672 -7.378) 21.282 21.492 ( -11.016 -0.747 1.797) 11.186 21.593 ( -9.090 -2.249 -2.753) 9.760 27.450 ( 1.330 -5.404 2.092) 5.946 27.530 ( -1.179 -4.622 -0.346) 4.783 27.551 ( -0.209 -5.853 -1.294) 5.998 27.572 ( -0.897 -4.516 -0.975) 4.706 37.332 ( 7.859 11.287 2.074) 13.909 37.463 ( 5.881 10.436 -3.731) 12.547 37.806 ( -0.380 8.570 1.067) 8.644 37.831 ( -3.097 8.978 -2.221) 9.753 38.349 ( 1.536 1.087 0.232) 1.896 38.376 ( 12.125 -5.174 -0.526) 13.194 39.178 ( -28.041 4.349 16.790) 32.971 39.542 ( -24.044 -9.853 -2.319) 26.088 ======================= Grid point 220 (75/120) ======================= q-point: ( 0.44 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 15.069 6.556 -3.439) 16.789 2.387 ( -1.150 3.368 -10.294) 10.892 2.465 ( -1.163 3.331 -0.158) 3.532 2.656 ( -14.194 4.198 -5.937) 15.948 2.794 ( 8.219 10.488 2.518) 13.561 2.970 ( -6.356 8.190 0.720) 10.392 3.249 ( 2.686 12.254 -8.004) 14.881 3.373 ( -8.165 13.496 -9.103) 18.211 4.107 ( 14.972 8.798 11.462) 20.808 4.334 ( -8.108 3.435 5.474) 10.369 4.557 ( 6.213 1.831 -4.650) 7.974 4.667 ( -4.547 -0.080 -8.180) 9.359 4.959 ( 3.017 10.487 7.183) 13.064 4.995 ( -0.856 11.013 4.727) 12.015 5.875 ( 3.308 -3.135 8.143) 9.332 5.924 ( -1.660 -2.609 7.899) 8.483 6.247 ( 3.682 6.661 4.987) 9.099 6.275 ( 0.962 3.622 2.965) 4.778 6.439 ( 6.792 9.644 4.736) 12.711 6.478 ( 2.244 11.049 -1.356) 11.356 6.635 ( 0.929 14.020 2.002) 14.193 6.651 ( -0.800 2.929 -2.663) 4.039 6.958 ( 6.362 18.083 -4.433) 19.675 7.032 ( 4.671 12.073 -1.272) 13.007 7.070 ( 0.999 7.557 -5.368) 9.323 7.280 ( -13.868 0.788 6.916) 15.517 7.318 ( 9.925 9.021 -4.816) 14.251 7.576 ( -12.084 1.621 -5.564) 13.402 7.887 ( 4.336 7.915 7.441) 11.697 7.998 ( -4.699 8.379 4.635) 10.667 8.441 ( 5.419 -2.002 4.626) 7.401 8.565 ( -6.835 -2.654 0.145) 7.334 9.590 ( 0.793 -7.645 0.019) 7.686 9.633 ( -3.422 -6.364 -1.823) 7.452 9.877 ( 1.576 -5.912 -3.903) 7.257 9.962 ( -6.918 -5.097 -5.990) 10.475 16.838 ( 0.865 5.156 1.853) 5.547 16.862 ( -1.524 4.283 1.163) 4.692 17.015 ( 1.609 5.084 -0.241) 5.338 17.053 ( -2.254 4.521 -1.847) 5.379 17.322 ( 2.510 3.499 6.623) 7.899 17.369 ( -2.436 1.976 6.387) 7.115 17.694 ( 1.059 -5.126 -8.625) 10.089 17.709 ( -0.559 -4.365 -7.479) 8.678 20.928 ( 17.693 -1.234 2.950) 17.979 21.121 ( 15.305 -5.272 -6.050) 17.281 21.244 ( -14.593 -1.059 2.374) 14.822 21.388 ( -12.213 -3.616 -4.235) 13.423 27.476 ( 1.409 -5.195 1.402) 5.562 27.503 ( -1.457 -4.874 0.695) 5.134 27.552 ( 0.245 -5.513 -1.546) 5.731 27.559 ( -0.493 -5.028 -1.300) 5.217 37.480 ( 6.809 11.438 -0.277) 13.314 37.546 ( 1.226 10.110 -3.355) 10.722 37.763 ( -1.545 14.691 -0.876) 14.798 37.785 ( -2.508 12.790 -1.302) 13.099 38.437 ( 9.268 -1.937 8.496) 12.721 38.663 ( 7.558 -8.065 1.765) 11.193 38.738 ( -8.240 1.257 9.901) 12.943 39.088 ( -22.616 -8.405 -3.695) 24.408 ======================= Grid point 225 (76/120) ======================= q-point: ( 0.00 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 0.000 19.098 16.426) 25.190 2.126 ( 0.000 15.057 9.867) 18.002 2.740 ( 0.000 2.645 -11.459) 11.760 2.779 ( 0.000 9.661 -14.080) 17.076 3.220 ( 0.000 -2.217 0.928) 2.403 3.543 ( 0.000 5.103 -0.528) 5.131 3.595 ( 0.000 -3.322 -6.460) 7.264 3.716 ( 0.000 -1.115 -12.608) 12.657 3.837 ( 0.000 12.765 10.605) 16.595 4.168 ( 0.000 3.468 11.305) 11.825 4.345 ( 0.000 -0.901 -14.258) 14.286 4.735 ( 0.000 -5.373 -15.039) 15.970 4.805 ( 0.000 14.438 -0.053) 14.438 4.807 ( 0.000 10.198 0.291) 10.203 5.493 ( 0.000 -1.108 -0.122) 1.114 5.542 ( 0.000 -6.640 -2.100) 6.964 5.718 ( 0.000 4.517 8.498) 9.624 5.956 ( 0.000 10.278 -1.420) 10.376 6.220 ( 0.000 5.282 13.037) 14.067 6.443 ( 0.000 0.398 17.611) 17.616 6.587 ( 0.000 -1.455 -2.572) 2.955 6.787 ( 0.000 -12.763 -0.822) 12.790 6.808 ( 0.000 6.445 -3.130) 7.165 7.052 ( 0.000 6.159 -15.436) 16.620 7.332 ( 0.000 33.662 6.202) 34.228 7.533 ( 0.000 26.897 -2.314) 26.997 7.741 ( 0.000 12.257 9.750) 15.662 7.995 ( 0.000 18.417 -1.878) 18.513 8.105 ( 0.000 -5.937 4.988) 7.754 8.374 ( 0.000 -6.182 -8.033) 10.137 8.549 ( 0.000 2.585 11.906) 12.184 8.892 ( 0.000 -4.639 -3.563) 5.849 9.636 ( 0.000 0.744 2.283) 2.401 9.862 ( 0.000 -1.184 -8.485) 8.567 10.043 ( 0.000 -0.561 7.852) 7.872 10.481 ( 0.000 -5.917 -10.828) 12.340 16.748 ( 0.000 -6.292 3.709) 7.304 17.030 ( 0.000 -5.167 -5.361) 7.446 17.140 ( 0.000 3.740 2.286) 4.383 17.216 ( 0.000 2.980 -0.680) 3.056 17.345 ( 0.000 2.694 2.014) 3.364 17.479 ( 0.000 -1.488 -5.460) 5.659 17.643 ( 0.000 8.958 4.677) 10.105 17.700 ( 0.000 1.745 -0.326) 1.776 19.877 ( 0.000 0.038 0.150) 0.155 19.883 ( 0.000 -0.082 -0.112) 0.138 21.792 ( 0.000 -0.306 0.863) 0.916 21.832 ( 0.000 -1.138 -0.947) 1.481 27.295 ( 0.000 -5.003 2.695) 5.682 27.403 ( 0.000 -6.849 -2.160) 7.181 27.515 ( 0.000 -3.720 0.855) 3.817 27.549 ( 0.000 -4.432 -0.674) 4.483 37.240 ( 0.000 8.395 4.040) 9.316 37.391 ( 0.000 6.331 -1.788) 6.579 37.721 ( 0.000 -1.570 2.810) 3.219 37.853 ( 0.000 -1.313 -0.659) 1.469 38.109 ( 0.000 1.579 2.623) 3.062 38.626 ( 0.000 2.676 -17.440) 17.644 40.216 ( 0.000 -6.620 11.696) 13.440 40.497 ( 0.000 -5.387 -1.251) 5.531 ======================= Grid point 226 (77/120) ======================= q-point: ( 0.11 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -1.443 18.208 12.085) 21.902 2.227 ( 7.827 13.689 9.751) 18.540 2.702 ( -5.110 8.234 -14.509) 17.447 2.793 ( 2.878 2.141 -10.283) 10.891 3.200 ( -1.936 -0.977 -0.237) 2.182 3.495 ( -6.049 0.683 -4.980) 7.865 3.550 ( -4.425 -1.147 -2.771) 5.346 3.691 ( 0.539 3.405 -5.169) 6.213 3.882 ( 2.768 17.715 9.330) 20.212 4.218 ( 5.220 -2.163 7.871) 9.689 4.407 ( 5.218 0.624 -13.930) 14.888 4.686 ( -3.859 -3.893 -9.487) 10.957 4.849 ( 4.800 12.974 -1.479) 13.912 4.884 ( 6.805 10.475 -2.972) 12.840 5.551 ( 5.400 -1.679 1.096) 5.761 5.619 ( 7.376 -6.318 -1.118) 9.776 5.768 ( 5.235 4.674 8.804) 11.259 6.009 ( 5.240 8.948 -0.980) 10.415 6.224 ( 0.347 4.901 11.912) 12.886 6.435 ( -0.417 -0.112 12.609) 12.616 6.572 ( -1.357 -1.032 -1.990) 2.621 6.749 ( -1.562 -7.691 -4.757) 9.177 6.873 ( 4.491 1.795 1.264) 4.999 7.110 ( 5.102 5.593 -11.523) 13.787 7.340 ( 1.066 31.716 5.468) 32.201 7.530 ( -0.344 26.778 -2.359) 26.884 7.751 ( 0.567 10.744 8.990) 14.021 7.989 ( -0.455 18.343 -1.182) 18.386 8.071 ( -3.162 -4.285 4.466) 6.950 8.320 ( -5.465 -5.147 -7.514) 10.622 8.533 ( -1.717 2.447 11.063) 11.460 8.851 ( -4.029 -4.415 -3.337) 6.846 9.614 ( -2.219 0.693 2.135) 3.156 9.833 ( -2.874 -0.769 -8.459) 8.967 10.011 ( -3.236 -0.732 7.319) 8.036 10.418 ( -6.290 -5.076 -9.751) 12.665 16.757 ( 0.992 -5.869 3.334) 6.822 17.010 ( -1.832 -3.948 -4.326) 6.136 17.142 ( -0.147 3.846 1.505) 4.132 17.198 ( -1.539 1.449 -0.793) 2.258 17.358 ( 1.165 3.558 2.030) 4.259 17.493 ( 1.501 -1.700 -5.463) 5.915 17.613 ( -2.786 9.248 5.122) 10.932 17.696 ( -0.368 1.760 -0.811) 1.973 19.972 ( 9.337 -0.277 0.466) 9.352 20.004 ( 12.244 -1.481 -1.075) 12.380 21.758 ( -3.505 -0.329 0.904) 3.634 21.801 ( -3.205 -1.230 -1.037) 3.586 27.301 ( 0.649 -4.994 2.605) 5.670 27.406 ( 0.277 -6.760 -2.089) 7.081 27.506 ( -0.913 -3.774 0.757) 3.956 27.537 ( -1.211 -4.373 -0.606) 4.578 37.281 ( 4.197 8.860 3.921) 10.559 37.431 ( 4.066 6.990 -1.818) 8.289 37.740 ( 1.965 -1.315 2.836) 3.692 37.880 ( 2.702 -1.240 -1.839) 3.496 38.102 ( -0.590 0.913 3.282) 3.457 38.594 ( -3.283 2.637 -16.351) 16.884 40.102 ( -11.541 -6.195 10.356) 16.697 40.310 ( -18.467 -2.425 1.038) 18.655 ======================= Grid point 227 (78/120) ======================= q-point: ( 0.22 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 3.144 15.761 5.827) 17.096 2.379 ( 7.123 10.117 3.952) 12.989 2.582 ( -5.902 4.908 -10.935) 13.361 2.870 ( 4.241 1.821 -9.931) 10.951 3.143 ( -4.115 3.422 -2.652) 5.973 3.319 ( -10.584 1.995 -6.930) 12.808 3.459 ( -5.796 -0.058 4.196) 7.156 3.705 ( -0.292 3.091 -7.459) 8.080 3.964 ( 6.788 19.906 10.973) 23.722 4.346 ( 7.082 -3.515 4.983) 9.346 4.504 ( 4.449 1.977 -12.754) 13.652 4.617 ( -2.816 -3.083 -4.974) 6.495 4.982 ( 8.254 14.361 -1.176) 16.605 5.038 ( 8.500 10.668 -2.107) 13.802 5.665 ( 5.680 -1.724 3.359) 6.821 5.781 ( 7.998 -5.134 2.323) 9.784 5.926 ( 11.559 3.506 7.910) 14.439 6.140 ( 7.655 5.793 0.235) 9.603 6.235 ( 1.044 3.922 9.418) 10.255 6.438 ( 0.703 -0.429 4.716) 4.788 6.556 ( 0.244 -2.150 -3.090) 3.772 6.739 ( 0.646 -8.309 -7.272) 11.060 6.967 ( 5.053 4.388 6.100) 9.055 7.198 ( 2.899 11.813 -3.219) 12.582 7.388 ( 4.162 19.468 0.700) 19.920 7.520 ( -0.566 26.460 -2.494) 26.584 7.720 ( -5.085 5.635 7.958) 10.997 7.983 ( -1.416 19.601 -1.286) 19.694 8.021 ( 0.079 -1.853 3.916) 4.333 8.181 ( -8.064 -1.091 -5.557) 9.854 8.484 ( -3.227 2.569 9.499) 10.356 8.751 ( -6.012 -3.816 -2.877) 7.680 9.560 ( -3.015 0.637 1.697) 3.518 9.759 ( -4.644 0.184 -8.084) 9.325 9.926 ( -5.356 -1.102 5.757) 7.940 10.258 ( -9.846 -3.562 -7.565) 12.918 16.785 ( 1.810 -4.681 2.346) 5.539 16.971 ( -2.070 -2.066 -3.003) 4.191 17.125 ( -1.525 4.279 0.894) 4.630 17.167 ( -1.709 -1.034 -1.435) 2.460 17.384 ( 1.467 4.959 2.515) 5.751 17.533 ( 2.495 -1.683 -5.375) 6.160 17.554 ( -2.949 9.138 5.699) 11.166 17.688 ( -0.469 1.582 -1.950) 2.554 20.219 ( 15.786 -0.653 1.348) 15.856 20.309 ( 18.376 -3.933 -2.897) 19.014 21.656 ( -7.229 -0.413 1.025) 7.313 21.708 ( -6.590 -1.555 -1.315) 6.897 27.319 ( 1.161 -4.957 2.346) 5.606 27.414 ( 0.498 -6.494 -1.898) 6.784 27.481 ( -1.641 -3.952 0.631) 4.326 27.508 ( -1.575 -4.348 -0.560) 4.659 37.396 ( 7.551 10.005 3.290) 12.959 37.539 ( 6.868 8.721 -2.096) 11.297 37.801 ( 4.692 -0.012 2.989) 5.563 37.944 ( 3.073 0.827 -4.579) 5.577 38.105 ( 2.165 -2.758 4.813) 5.955 38.505 ( -5.698 2.314 -13.114) 14.485 39.792 ( -20.328 -4.543 7.186) 22.034 39.849 ( -27.554 1.996 5.313) 28.132 ======================= Grid point 228 (79/120) ======================= q-point: ( 0.33 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 8.939 11.777 -0.545) 14.795 2.442 ( -0.404 5.135 -11.813) 12.887 2.546 ( 1.624 3.088 2.857) 4.510 2.894 ( -3.393 1.385 -7.271) 8.142 3.036 ( -7.826 8.666 -4.148) 12.392 3.162 ( -3.097 5.842 -5.117) 8.361 3.353 ( -3.423 -0.246 1.866) 3.906 3.659 ( -4.583 2.787 -10.944) 12.188 4.135 ( 10.104 15.360 9.994) 20.926 4.454 ( 3.188 2.212 4.075) 5.627 4.578 ( 2.669 4.997 -6.229) 8.419 4.586 ( 0.240 -5.773 -4.026) 7.042 5.129 ( 6.461 15.741 2.348) 17.177 5.186 ( 6.254 12.181 1.644) 13.791 5.756 ( 3.936 -1.530 4.192) 5.950 5.891 ( 3.005 -2.284 3.650) 5.250 6.188 ( 13.125 0.319 4.246) 13.799 6.239 ( 2.810 -1.624 5.402) 6.302 6.307 ( 6.800 7.017 4.792) 10.883 6.468 ( 3.076 -1.161 -0.569) 3.337 6.578 ( 1.345 -4.789 -3.037) 5.828 6.795 ( 5.603 -6.404 -8.713) 12.179 7.054 ( 3.438 8.548 6.521) 11.287 7.215 ( -0.259 15.821 4.640) 16.489 7.442 ( -1.479 10.016 -3.485) 10.708 7.532 ( 1.626 19.062 -1.549) 19.194 7.568 ( -7.701 6.949 5.674) 11.823 7.876 ( -9.894 3.741 -5.293) 11.828 8.037 ( 0.775 13.555 3.828) 14.107 8.132 ( 3.653 5.716 0.919) 6.846 8.418 ( -3.099 2.383 7.809) 8.733 8.632 ( -6.179 -3.033 -2.157) 7.213 9.513 ( -1.502 0.707 0.956) 1.916 9.665 ( -4.936 1.003 -6.130) 7.934 9.827 ( -4.172 -1.487 2.508) 5.090 10.061 ( -10.127 -2.622 -5.879) 12.000 16.824 ( 2.241 -2.938 1.081) 3.850 16.934 ( -1.732 -0.545 -1.961) 2.673 17.095 ( -1.380 2.797 0.315) 3.135 17.131 ( -2.005 -1.583 -1.759) 3.102 17.413 ( 1.511 6.168 3.468) 7.235 17.505 ( -2.124 8.700 5.728) 10.630 17.584 ( 2.618 -1.525 -5.176) 5.998 17.677 ( -0.644 1.030 -3.174) 3.399 20.553 ( 18.455 -0.884 1.912) 18.575 20.675 ( 19.063 -4.934 -3.717) 20.039 21.479 ( -11.232 -0.560 1.261) 11.317 21.547 ( -10.128 -2.233 -1.837) 10.533 27.345 ( 1.484 -4.864 1.960) 5.451 27.425 ( 0.631 -6.024 -1.615) 6.269 27.446 ( -1.910 -4.255 0.740) 4.722 27.480 ( -1.328 -4.592 -0.746) 4.838 37.553 ( 8.125 10.386 1.303) 13.251 37.672 ( 6.249 10.206 -3.232) 12.396 37.924 ( 7.056 4.556 2.261) 8.698 37.971 ( 1.465 4.710 -1.175) 5.070 38.232 ( 10.782 -7.492 1.286) 13.192 38.391 ( -5.224 0.488 -7.225) 8.929 39.285 ( -28.568 5.726 8.372) 30.316 39.379 ( -23.277 -5.398 3.467) 24.145 ======================= Grid point 229 (80/120) ======================= q-point: ( 0.44 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 11.142 7.885 -5.053) 14.555 2.456 ( -0.456 3.539 -9.090) 9.765 2.533 ( 0.411 3.355 -2.134) 3.998 2.710 ( -13.328 1.565 -7.949) 15.597 2.990 ( 3.906 9.394 2.539) 10.486 3.097 ( -5.497 5.096 0.853) 7.544 3.391 ( 6.568 2.600 -9.253) 11.641 3.538 ( -7.601 2.939 -12.332) 14.781 4.319 ( 8.360 10.767 7.504) 15.560 4.441 ( -4.076 6.771 4.592) 9.140 4.605 ( 1.858 1.589 -0.213) 2.454 4.621 ( 0.648 -0.975 -4.047) 4.213 5.225 ( 3.524 15.333 5.686) 16.729 5.255 ( 0.793 14.148 5.286) 15.124 5.829 ( 3.827 -1.026 2.881) 4.899 5.893 ( -2.303 -0.691 2.578) 3.525 6.276 ( 2.179 -2.734 3.320) 4.821 6.303 ( -0.009 -1.169 4.263) 4.421 6.485 ( 6.717 -0.650 -3.198) 7.468 6.542 ( 0.731 -0.832 -3.760) 3.920 6.651 ( 11.111 -1.784 5.024) 12.324 6.862 ( -4.675 2.998 0.292) 5.561 7.116 ( 6.910 0.653 -3.044) 7.579 7.231 ( 0.953 7.424 4.144) 8.555 7.342 ( -5.646 7.803 2.313) 9.906 7.397 ( -7.878 16.226 6.095) 19.040 7.611 ( 3.357 13.673 -5.318) 15.050 7.696 ( -6.803 10.051 -5.238) 13.219 8.093 ( 4.505 12.998 5.631) 14.864 8.168 ( -1.779 8.833 3.891) 9.814 8.411 ( 3.388 -0.461 3.535) 4.918 8.514 ( -6.155 -2.143 -0.378) 6.528 9.513 ( 1.646 0.876 -0.182) 1.874 9.574 ( -4.329 1.075 -2.382) 5.057 9.798 ( 1.649 -1.746 -2.238) 3.283 9.888 ( -7.356 -2.134 -4.703) 8.988 16.867 ( 2.080 -1.045 -0.089) 2.330 16.902 ( -1.663 -0.015 -1.041) 1.962 17.080 ( -0.016 0.630 -0.518) 0.815 17.095 ( -1.493 -1.080 -1.372) 2.297 17.442 ( 1.464 7.091 4.477) 8.513 17.470 ( -1.578 7.871 5.274) 9.606 17.629 ( 2.019 -0.747 -4.809) 5.269 17.660 ( -1.213 0.179 -4.157) 4.334 20.906 ( 17.851 -0.876 1.926) 17.976 21.023 ( 16.900 -4.408 -3.426) 17.799 21.226 ( -15.033 -0.753 1.621) 15.139 21.319 ( -13.684 -3.293 -2.612) 14.315 27.375 ( 1.677 -4.684 1.514) 5.201 27.409 ( -1.831 -4.412 1.068) 4.895 27.440 ( 0.813 -5.630 -1.321) 5.839 27.457 ( -1.045 -5.068 -1.041) 5.278 37.684 ( 5.194 8.777 -1.709) 10.341 37.740 ( -0.028 9.310 -4.115) 10.179 37.989 ( 4.029 8.085 -0.269) 9.038 38.059 ( 0.117 12.761 -2.327) 12.972 38.386 ( 9.588 -3.386 4.547) 11.138 38.500 ( 13.150 -7.323 -0.147) 15.053 38.793 ( -19.343 3.706 8.342) 21.388 38.941 ( -21.447 -5.620 0.989) 22.193 ======================= Grid point 234 (81/120) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( 0.000 17.940 10.163) 20.619 2.422 ( 0.000 14.224 0.047) 14.224 2.778 ( 0.000 0.889 -7.296) 7.350 2.905 ( 0.000 0.844 -4.551) 4.629 3.216 ( 0.000 2.551 -6.202) 6.707 3.474 ( 0.000 -8.649 -11.549) 14.429 3.577 ( 0.000 0.474 -3.326) 3.360 3.648 ( 0.000 -3.766 -9.908) 10.600 3.818 ( 0.000 -3.080 2.685) 4.086 4.163 ( 0.000 -14.589 -10.717) 18.103 4.489 ( 0.000 16.897 9.099) 19.191 4.715 ( 0.000 1.657 -1.518) 2.247 5.062 ( 0.000 11.491 -1.441) 11.581 5.076 ( 0.000 14.445 -3.345) 14.827 5.409 ( 0.000 -6.887 -0.676) 6.920 5.466 ( 0.000 -2.847 -3.414) 4.445 5.855 ( 0.000 10.041 10.337) 14.411 6.160 ( 0.000 9.740 -0.898) 9.781 6.318 ( 0.000 4.609 14.390) 15.110 6.405 ( 0.000 -2.961 7.584) 8.142 6.475 ( 0.000 -16.542 3.692) 16.949 6.533 ( 0.000 -5.733 3.291) 6.610 6.940 ( 0.000 6.453 -7.320) 9.759 7.108 ( 0.000 -0.057 -16.469) 16.469 7.802 ( 0.000 9.775 3.729) 10.463 7.847 ( 0.000 1.652 2.208) 2.757 7.938 ( 0.000 10.555 12.328) 16.229 8.055 ( 0.000 5.389 5.132) 7.442 8.270 ( 0.000 8.288 -2.223) 8.581 8.321 ( 0.000 1.455 -7.694) 7.831 8.641 ( 0.000 6.240 8.157) 10.270 8.808 ( 0.000 -3.561 1.041) 3.710 9.720 ( 0.000 5.970 0.683) 6.009 9.854 ( 0.000 -0.472 -5.446) 5.466 10.091 ( 0.000 5.331 3.463) 6.357 10.365 ( 0.000 -6.273 -7.750) 9.971 16.674 ( 0.000 -0.979 -1.981) 2.210 16.856 ( 0.000 -9.369 -8.714) 12.795 17.182 ( 0.000 0.904 1.311) 1.593 17.235 ( 0.000 -1.073 -0.844) 1.365 17.385 ( 0.000 2.261 0.995) 2.471 17.453 ( 0.000 -1.317 -2.121) 2.497 17.808 ( 0.000 6.452 4.668) 7.964 17.815 ( 0.000 6.797 5.718) 8.882 19.878 ( 0.000 0.061 0.092) 0.110 19.881 ( 0.000 -0.092 -0.049) 0.104 21.789 ( 0.000 0.046 0.442) 0.444 21.810 ( 0.000 -1.000 -0.531) 1.132 27.221 ( 0.000 -2.211 1.780) 2.838 27.283 ( 0.000 -5.070 -0.985) 5.165 27.455 ( 0.000 -2.112 0.483) 2.167 27.474 ( 0.000 -2.995 -0.335) 3.014 37.385 ( 0.000 5.991 3.767) 7.077 37.471 ( 0.000 1.724 0.533) 1.804 37.708 ( 0.000 0.491 3.948) 3.978 37.811 ( 0.000 -3.052 4.652) 5.563 38.184 ( 0.000 6.774 -7.618) 10.194 38.563 ( 0.000 -8.136 -19.454) 21.087 40.191 ( 0.000 3.216 11.987) 12.411 40.399 ( 0.000 -5.020 1.751) 5.317 ======================= Grid point 235 (82/120) ======================= q-point: ( 0.11 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( -3.143 16.959 5.586) 18.130 2.492 ( 4.438 12.387 1.062) 13.201 2.802 ( -9.177 -0.356 -6.472) 11.235 2.806 ( 2.679 -0.148 -9.009) 9.400 3.219 ( 0.282 3.170 -5.512) 6.365 3.432 ( -4.082 -6.040 -10.827) 13.052 3.547 ( -1.667 1.910 0.706) 2.631 3.750 ( 5.140 4.360 -7.806) 10.313 3.840 ( 4.522 -10.869 2.420) 12.018 4.199 ( 2.902 -13.152 -9.245) 16.336 4.505 ( 2.064 14.906 7.537) 16.830 4.702 ( -0.862 2.935 -1.601) 3.453 5.114 ( 5.047 12.394 -2.152) 13.554 5.142 ( 6.706 14.134 -3.110) 15.951 5.479 ( 6.659 -7.121 -0.247) 9.753 5.524 ( 5.907 -2.862 -3.551) 7.463 5.894 ( 3.954 8.503 9.999) 13.708 6.186 ( 2.423 8.268 -0.412) 8.625 6.307 ( -1.520 2.231 10.788) 11.121 6.384 ( -0.632 -3.105 7.667) 8.296 6.482 ( 0.178 -12.719 3.291) 13.139 6.537 ( 0.354 -5.665 3.163) 6.498 6.975 ( 3.578 6.114 -5.568) 9.010 7.148 ( 3.875 -0.798 -14.018) 14.565 7.777 ( -3.234 8.008 3.749) 9.415 7.815 ( -2.651 1.353 3.315) 4.455 7.952 ( 0.883 10.844 9.540) 14.470 8.043 ( -1.002 5.581 5.375) 7.814 8.265 ( -0.719 7.820 -2.641) 8.285 8.297 ( -2.029 3.356 -6.413) 7.517 8.619 ( -2.222 5.803 7.650) 9.856 8.772 ( -3.513 -3.284 0.925) 4.897 9.701 ( -1.874 6.326 0.754) 6.641 9.835 ( -1.955 -0.022 -5.401) 5.744 10.055 ( -3.625 5.094 3.364) 7.100 10.315 ( -5.017 -5.716 -7.263) 10.517 16.688 ( 1.402 -0.940 -1.935) 2.568 16.859 ( 0.313 -8.612 -8.220) 11.909 17.168 ( -1.487 0.062 0.796) 1.687 17.208 ( -2.483 -1.019 -0.824) 2.807 17.410 ( 2.190 2.489 1.115) 3.498 17.472 ( 1.886 -0.870 -1.888) 2.807 17.790 ( -2.187 7.087 5.532) 9.252 17.800 ( -1.050 6.074 4.226) 7.473 19.969 ( 9.151 0.001 0.257) 9.154 19.983 ( 10.316 -0.772 -0.365) 10.351 21.755 ( -3.527 0.052 0.462) 3.558 21.778 ( -3.375 -1.068 -0.578) 3.587 27.227 ( 0.649 -2.225 1.724) 2.888 27.287 ( 0.452 -4.991 -0.955) 5.101 27.446 ( -0.992 -2.144 0.457) 2.406 27.462 ( -1.121 -2.940 -0.287) 3.160 37.434 ( 5.057 6.368 3.801) 8.976 37.522 ( 5.206 2.090 0.649) 5.647 37.728 ( 2.242 0.492 3.619) 4.285 37.835 ( 2.533 -3.270 3.828) 5.636 38.167 ( -1.724 6.424 -7.058) 9.698 38.534 ( -2.972 -7.848 -18.478) 20.294 40.080 ( -11.342 3.052 11.217) 16.241 40.256 ( -14.400 -3.418 2.490) 15.008 ======================= Grid point 236 (83/120) ======================= q-point: ( 0.22 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( -0.796 13.822 1.426) 13.918 2.575 ( 4.005 9.346 -2.636) 10.504 2.617 ( -8.764 -1.200 -7.989) 11.919 2.865 ( 2.765 -2.814 -12.435) 13.046 3.219 ( -0.550 4.114 -3.906) 5.700 3.336 ( -5.302 -0.806 -7.084) 8.885 3.486 ( -5.512 4.258 4.921) 8.529 3.744 ( -3.569 0.193 -7.015) 7.873 4.032 ( 12.344 -5.961 1.356) 13.775 4.268 ( 5.082 -9.319 -5.231) 11.833 4.566 ( 3.584 10.717 5.504) 12.570 4.702 ( 0.924 5.228 -0.634) 5.346 5.250 ( 8.734 12.466 -1.419) 15.287 5.305 ( 9.193 14.716 -3.644) 17.730 5.624 ( 7.399 -4.844 -0.496) 8.858 5.675 ( 8.856 -3.661 -2.322) 9.860 6.009 ( 8.074 4.057 8.309) 12.275 6.219 ( -0.063 2.711 5.566) 6.192 6.294 ( 1.918 -1.370 -0.263) 2.372 6.396 ( 1.226 0.524 10.383) 10.469 6.491 ( 1.222 -7.286 0.001) 7.388 6.547 ( 1.222 -6.638 1.337) 6.881 7.071 ( 6.147 5.660 -1.397) 8.472 7.244 ( 5.660 -1.657 -9.493) 11.176 7.667 ( -7.901 3.136 4.622) 9.676 7.748 ( -4.789 0.625 2.003) 5.228 7.947 ( -2.100 12.649 5.530) 13.964 8.023 ( -1.401 4.615 4.563) 6.640 8.236 ( -1.217 7.465 -3.492) 8.331 8.277 ( -0.074 7.004 -1.369) 7.137 8.561 ( -3.715 4.799 6.482) 8.879 8.686 ( -5.168 -2.595 0.510) 5.806 9.656 ( -2.509 7.190 0.800) 7.658 9.784 ( -3.128 1.258 -5.231) 6.224 9.961 ( -5.899 4.510 3.009) 8.012 10.184 ( -8.284 -4.329 -6.096) 11.159 16.727 ( 2.615 -0.789 -1.831) 3.288 16.869 ( 0.751 -6.592 -6.944) 9.604 17.126 ( -2.787 -1.573 -0.168) 3.205 17.152 ( -3.197 -1.327 -1.123) 3.639 17.459 ( 2.864 3.326 1.627) 4.681 17.521 ( 3.077 -0.093 -1.478) 3.415 17.738 ( -3.026 7.551 5.367) 9.745 17.774 ( -1.550 4.973 2.778) 5.904 20.212 ( 15.604 0.019 0.661) 15.618 20.251 ( 16.768 -2.145 -1.065) 16.938 21.652 ( -7.297 0.054 0.517) 7.316 21.679 ( -6.997 -1.287 -0.717) 7.151 27.245 ( 1.183 -2.256 1.567) 2.991 27.300 ( 0.833 -4.762 -0.873) 4.912 27.419 ( -1.759 -2.192 0.459) 2.848 27.435 ( -1.659 -2.917 -0.240) 3.365 37.570 ( 8.518 7.326 3.527) 11.776 37.661 ( 8.692 3.181 0.914) 9.301 37.806 ( 6.602 0.719 2.874) 7.236 37.912 ( 5.720 -3.669 1.448) 6.948 38.121 ( -2.956 5.133 -5.228) 7.901 38.452 ( -5.354 -7.057 -15.678) 18.008 39.774 ( -19.870 2.496 9.234) 22.052 39.878 ( -24.046 -0.039 4.007) 24.378 ======================= Grid point 237 (84/120) ======================= q-point: ( 0.33 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 4.527 9.265 -2.538) 10.620 2.498 ( -2.894 0.196 -8.594) 9.071 2.631 ( 0.994 5.943 -4.147) 7.315 2.866 ( -3.975 -3.680 -11.799) 12.983 3.197 ( -1.491 5.520 -2.493) 6.238 3.253 ( -3.221 3.306 -5.911) 7.499 3.360 ( -5.026 3.254 1.894) 6.280 3.643 ( -6.467 -4.214 -11.882) 14.169 4.268 ( 11.763 0.440 3.980) 12.426 4.407 ( 8.756 -5.975 -0.550) 10.615 4.614 ( 0.879 8.940 5.778) 10.680 4.717 ( -0.039 5.375 1.624) 5.615 5.419 ( 7.881 12.481 0.348) 14.765 5.457 ( 6.059 15.153 -1.737) 16.411 5.742 ( 4.992 -1.198 -1.598) 5.377 5.826 ( 5.975 -3.647 -1.719) 7.208 6.145 ( 3.332 -4.437 3.916) 6.792 6.258 ( 4.575 4.058 8.202) 10.231 6.344 ( 3.203 -8.382 -0.266) 8.977 6.438 ( 4.501 2.576 7.034) 8.739 6.494 ( -0.380 -2.777 1.488) 3.174 6.655 ( 10.232 -6.265 -4.652) 12.868 7.185 ( 3.536 5.330 1.189) 6.506 7.323 ( 0.092 -0.774 -3.134) 3.229 7.510 ( -6.122 1.827 3.980) 7.527 7.649 ( -3.261 -3.239 -0.506) 4.624 7.856 ( -7.152 12.545 4.499) 15.125 7.974 ( -3.826 6.510 0.611) 7.575 8.256 ( 3.033 6.510 0.617) 7.209 8.287 ( 1.210 7.616 0.903) 7.764 8.485 ( -3.866 3.962 5.098) 7.526 8.584 ( -5.292 -1.869 -0.005) 5.612 9.617 ( -1.204 8.015 0.580) 8.125 9.724 ( -3.020 3.552 -4.513) 6.488 9.848 ( -5.187 3.302 1.938) 6.447 10.015 ( -8.763 -2.597 -4.817) 10.332 16.785 ( 3.407 -0.423 -1.732) 3.845 16.886 ( 0.984 -3.636 -5.195) 6.417 17.067 ( -3.163 -3.211 -1.093) 4.638 17.090 ( -3.173 -2.422 -1.842) 4.397 17.516 ( 2.962 4.487 2.401) 5.888 17.584 ( 3.346 0.644 -1.067) 3.571 17.680 ( -2.888 7.402 4.800) 9.282 17.741 ( -1.924 3.653 1.333) 4.339 20.544 ( 18.396 0.034 0.910) 18.419 20.598 ( 18.792 -2.931 -1.514) 19.080 21.473 ( -11.332 0.044 0.618) 11.349 21.508 ( -10.852 -1.707 -0.953) 11.027 27.272 ( 1.561 -2.274 1.341) 3.067 27.319 ( 1.123 -4.409 -0.755) 4.612 27.381 ( -2.081 -2.199 0.601) 3.087 27.402 ( -1.695 -3.128 -0.320) 3.572 37.722 ( 6.558 6.837 1.288) 9.561 37.829 ( 8.203 4.514 -0.595) 9.382 38.012 ( 14.379 3.549 2.490) 15.018 38.036 ( 1.064 3.568 -3.330) 4.995 38.102 ( 8.507 -4.517 1.302) 9.720 38.336 ( -6.339 -6.021 -11.128) 14.151 39.345 ( -24.045 1.417 6.753) 25.016 39.374 ( -27.476 2.594 5.131) 28.071 ======================= Grid point 238 (85/120) ======================= q-point: ( 0.44 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 7.745 5.608 -5.025) 10.802 2.514 ( 4.108 1.986 -7.661) 8.917 2.595 ( -3.423 3.268 -3.941) 6.158 2.715 ( -10.473 -1.192 -7.376) 12.865 3.166 ( -0.296 7.754 -1.120) 7.840 3.197 ( -2.747 6.216 -4.521) 8.162 3.377 ( 5.507 -3.150 -9.610) 11.515 3.508 ( -7.334 -5.105 -13.517) 16.204 4.467 ( 8.603 4.534 5.613) 11.228 4.571 ( 7.568 -1.737 2.527) 8.165 4.588 ( -3.738 7.278 6.290) 10.320 4.683 ( -3.810 2.697 3.284) 5.708 5.522 ( 2.711 13.619 1.950) 14.022 5.531 ( 1.693 14.054 1.407) 14.226 5.828 ( 4.059 -0.268 -3.366) 5.280 5.879 ( -0.464 -1.689 -3.635) 4.035 6.198 ( 3.239 -3.550 5.126) 7.026 6.260 ( -2.656 -1.355 5.891) 6.603 6.407 ( 2.235 -7.661 0.382) 7.990 6.445 ( -1.938 -7.281 0.879) 7.585 6.688 ( 16.418 5.153 3.842) 17.631 6.877 ( 7.898 -0.756 -3.893) 8.838 7.081 ( -8.059 -1.712 2.066) 8.494 7.219 ( -11.202 -4.925 -2.876) 12.570 7.518 ( 7.121 8.478 6.257) 12.718 7.681 ( -5.455 8.592 3.099) 10.639 7.724 ( 3.971 2.681 0.364) 4.805 7.869 ( -7.108 4.092 -1.488) 8.336 8.312 ( 2.070 7.016 2.899) 7.868 8.325 ( 1.759 6.872 2.595) 7.553 8.433 ( -0.442 2.007 2.379) 3.144 8.486 ( -4.677 -0.950 0.030) 4.772 9.618 ( 1.334 8.178 0.009) 8.286 9.665 ( -3.174 6.982 -1.677) 7.851 9.797 ( 0.629 0.675 -1.392) 1.670 9.867 ( -6.170 -0.915 -3.595) 7.199 16.852 ( 3.268 0.291 -1.774) 3.730 16.894 ( -0.709 -0.077 -2.964) 3.049 17.020 ( -1.043 -5.212 -2.363) 5.817 17.036 ( -2.225 -4.211 -2.621) 5.436 17.572 ( 2.824 5.692 3.249) 7.136 17.624 ( -2.306 6.375 3.699) 7.723 17.649 ( 2.568 1.762 -0.203) 3.121 17.699 ( -2.424 2.403 0.192) 3.419 20.897 ( 17.910 0.043 0.911) 17.933 20.952 ( 17.614 -2.856 -1.531) 17.910 21.218 ( -15.170 0.034 0.773) 15.190 21.263 ( -14.615 -2.312 -1.266) 14.851 27.304 ( 1.821 -2.259 1.084) 3.098 27.341 ( -1.616 -2.458 0.650) 3.013 27.343 ( 0.951 -3.737 -0.439) 3.881 27.371 ( -1.553 -3.520 -0.468) 3.875 37.829 ( 4.876 6.408 -1.744) 8.239 37.904 ( -1.899 7.379 -5.172) 9.209 38.053 ( 5.226 -1.775 -0.729) 5.568 38.179 ( -6.279 -2.818 -6.686) 9.595 38.365 ( 20.132 3.471 4.744) 20.972 38.420 ( 18.042 -0.598 2.058) 18.169 38.860 ( -24.531 2.578 5.338) 25.237 38.883 ( -22.940 -0.642 4.464) 23.379 ======================= Grid point 243 (86/120) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( 0.000 -1.008 -3.002) 3.166 2.614 ( 0.000 1.008 -3.002) 3.166 2.809 ( 0.000 -6.307 3.289) 7.113 2.809 ( 0.000 6.307 3.289) 7.113 3.310 ( 0.000 -6.764 -11.340) 13.204 3.310 ( 0.000 6.764 -11.340) 13.204 3.594 ( 0.000 -1.731 -5.256) 5.534 3.594 ( 0.000 1.731 -5.256) 5.534 3.894 ( 0.000 -10.556 -7.251) 12.806 3.894 ( 0.000 10.556 -7.251) 12.806 4.698 ( 0.000 -4.757 4.735) 6.711 4.698 ( 0.000 4.757 4.735) 6.711 5.254 ( 0.000 -7.324 -1.663) 7.510 5.254 ( 0.000 7.324 -1.663) 7.510 5.340 ( 0.000 -9.369 -2.372) 9.664 5.340 ( 0.000 9.369 -2.372) 9.664 6.123 ( 0.000 -16.634 8.124) 18.512 6.123 ( 0.000 16.634 8.124) 18.512 6.322 ( 0.000 -5.619 1.353) 5.779 6.322 ( 0.000 5.619 1.353) 5.779 6.421 ( 0.000 -5.673 10.169) 11.644 6.421 ( 0.000 5.673 10.169) 11.644 7.055 ( 0.000 -4.891 -12.769) 13.673 7.055 ( 0.000 4.891 -12.769) 13.673 7.841 ( 0.000 -0.381 1.879) 1.917 7.841 ( 0.000 0.381 1.879) 1.917 8.095 ( 0.000 -3.208 9.311) 9.848 8.095 ( 0.000 3.208 9.311) 9.848 8.356 ( 0.000 -0.493 -4.000) 4.030 8.356 ( 0.000 0.493 -4.000) 4.030 8.746 ( 0.000 -3.684 4.360) 5.708 8.746 ( 0.000 3.684 4.360) 5.708 9.818 ( 0.000 -3.484 -1.696) 3.875 9.818 ( 0.000 3.484 -1.696) 3.875 10.227 ( 0.000 -7.582 -2.452) 7.969 10.227 ( 0.000 7.582 -2.452) 7.969 16.712 ( 0.000 -4.809 -6.459) 8.053 16.712 ( 0.000 4.809 -6.459) 8.053 17.202 ( 0.000 -1.550 0.025) 1.551 17.202 ( 0.000 1.550 0.025) 1.551 17.427 ( 0.000 -1.656 -0.512) 1.734 17.427 ( 0.000 1.656 -0.512) 1.734 17.881 ( 0.000 -0.290 6.066) 6.073 17.881 ( 0.000 0.290 6.066) 6.073 19.879 ( 0.000 -0.082 0.022) 0.085 19.879 ( 0.000 0.082 0.022) 0.085 21.795 ( 0.000 -0.566 -0.047) 0.568 21.795 ( 0.000 0.566 -0.047) 0.568 27.215 ( 0.000 -1.647 0.449) 1.707 27.215 ( 0.000 1.647 0.449) 1.707 27.439 ( 0.000 -0.473 0.067) 0.478 27.439 ( 0.000 0.473 0.067) 0.478 37.465 ( 0.000 -2.164 2.369) 3.209 37.465 ( 0.000 2.164 2.369) 3.209 37.745 ( 0.000 -3.115 5.617) 6.423 37.745 ( 0.000 3.115 5.617) 6.423 38.364 ( 0.000 -10.694 -15.321) 18.684 38.364 ( 0.000 10.694 -15.321) 18.684 40.291 ( 0.000 -5.859 7.016) 9.141 40.291 ( 0.000 5.859 7.016) 9.141 ======================= Grid point 245 (87/120) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( -2.444 -7.218 -0.884) 7.671 2.599 ( -2.444 7.218 -0.884) 7.671 2.766 ( -2.658 -2.899 -4.457) 5.945 2.766 ( -2.658 2.899 -4.457) 5.945 3.310 ( -0.296 -5.690 -9.139) 10.770 3.310 ( -0.296 5.690 -9.139) 10.770 3.635 ( 3.120 -7.449 0.001) 8.076 3.635 ( 3.120 7.449 0.001) 8.076 3.929 ( 3.707 -12.296 -8.325) 15.305 3.929 ( 3.707 12.296 -8.325) 15.305 4.699 ( 0.520 -4.299 4.141) 5.992 4.699 ( 0.520 4.299 4.141) 5.992 5.321 ( 6.239 -8.940 -0.856) 10.936 5.321 ( 6.239 8.940 -0.856) 10.936 5.398 ( 6.302 -10.405 -3.825) 12.752 5.398 ( 6.302 10.405 -3.825) 12.752 6.122 ( -0.102 -14.357 7.117) 16.025 6.122 ( -0.102 14.357 7.117) 16.025 6.322 ( 0.112 -5.234 0.559) 5.264 6.322 ( 0.112 5.234 0.559) 5.264 6.432 ( 1.201 -5.207 10.895) 12.135 6.432 ( 1.201 5.207 10.895) 12.135 7.088 ( 3.291 -4.928 -11.167) 12.642 7.088 ( 3.291 4.928 -11.167) 12.642 7.809 ( -3.455 -1.120 1.605) 3.971 7.809 ( -3.455 1.120 1.605) 3.971 8.093 ( -0.260 -2.497 9.004) 9.347 8.093 ( -0.260 2.497 9.004) 9.347 8.347 ( -0.825 -0.577 -3.743) 3.876 8.347 ( -0.825 0.577 -3.743) 3.876 8.715 ( -2.991 -3.371 4.114) 6.102 8.715 ( -2.991 3.371 4.114) 6.102 9.804 ( -1.414 -3.487 -1.555) 4.071 9.804 ( -1.414 3.487 -1.555) 4.071 10.186 ( -4.154 -7.259 -2.350) 8.688 10.186 ( -4.154 7.259 -2.350) 8.688 16.724 ( 1.228 -4.576 -6.194) 7.799 16.724 ( 1.228 4.576 -6.194) 7.799 17.178 ( -2.341 -1.291 -0.271) 2.687 17.178 ( -2.341 1.291 -0.271) 2.687 17.451 ( 2.373 -1.522 -0.219) 2.828 17.451 ( 2.373 1.522 -0.219) 2.828 17.864 ( -1.693 -0.154 5.701) 5.949 17.864 ( -1.693 0.154 5.701) 5.949 19.972 ( 9.409 -0.339 0.004) 9.415 19.972 ( 9.409 0.339 0.004) 9.415 21.761 ( -3.484 -0.605 -0.057) 3.537 21.761 ( -3.484 0.605 -0.057) 3.537 27.221 ( 0.585 -1.597 0.435) 1.755 27.221 ( 0.585 1.597 0.435) 1.755 27.428 ( -1.048 -0.433 0.086) 1.137 27.428 ( -1.048 0.433 0.086) 1.137 37.519 ( 5.537 -2.208 2.528) 6.475 37.519 ( 5.537 2.208 2.528) 6.475 37.766 ( 2.223 -3.195 5.004) 6.340 37.766 ( 2.223 3.195 5.004) 6.340 38.341 ( -2.345 -10.387 -14.599) 18.070 38.341 ( -2.345 10.387 -14.599) 18.070 40.171 ( -12.227 -5.103 6.904) 14.940 40.171 ( -12.227 5.103 6.904) 14.940 ======================= Grid point 247 (88/120) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( -5.110 -8.505 -1.845) 10.092 2.512 ( -5.110 8.505 -1.845) 10.092 2.757 ( 1.067 -7.824 -11.013) 13.551 2.757 ( 1.067 7.824 -11.013) 13.551 3.291 ( -1.701 -3.191 -5.269) 6.391 3.291 ( -1.701 3.191 -5.269) 6.391 3.634 ( -4.232 -9.387 0.381) 10.304 3.634 ( -4.232 9.387 0.381) 10.304 4.064 ( 10.657 -8.666 -4.481) 14.449 4.064 ( 10.657 8.666 -4.481) 14.449 4.725 ( 1.888 -3.509 3.956) 5.615 4.725 ( 1.888 3.509 3.956) 5.615 5.465 ( 8.397 -8.802 -0.171) 12.167 5.465 ( 8.397 8.802 -0.171) 12.167 5.568 ( 9.968 -9.200 -5.930) 14.804 5.568 ( 9.968 9.200 -5.930) 14.804 6.125 ( 0.628 -8.957 5.105) 10.329 6.125 ( 0.628 8.957 5.105) 10.329 6.336 ( 1.620 -6.298 1.754) 6.735 6.336 ( 1.620 6.298 1.754) 6.735 6.464 ( 2.199 -3.364 9.030) 9.884 6.464 ( 2.199 3.364 9.030) 9.884 7.176 ( 5.742 -4.772 -7.309) 10.448 7.176 ( 5.742 4.772 -7.309) 10.448 7.704 ( -7.331 -2.620 1.153) 7.870 7.704 ( -7.331 2.620 1.153) 7.870 8.078 ( -1.690 -1.310 7.483) 7.782 8.078 ( -1.690 1.310 7.483) 7.782 8.331 ( -0.478 -1.292 -2.413) 2.779 8.331 ( -0.478 1.292 -2.413) 2.779 8.640 ( -4.588 -2.802 3.440) 6.383 8.640 ( -4.588 2.802 3.440) 6.383 9.770 ( -1.966 -3.345 -1.300) 4.091 9.770 ( -1.966 3.345 -1.300) 4.091 10.077 ( -6.836 -6.367 -2.092) 9.573 10.077 ( -6.836 6.367 -2.092) 9.573 16.759 ( 2.372 -3.946 -5.490) 7.165 16.759 ( 2.372 3.946 -5.490) 7.165 17.120 ( -3.566 -1.048 -0.878) 3.819 17.120 ( -3.566 1.048 -0.878) 3.819 17.509 ( 3.448 -1.491 0.362) 3.774 17.509 ( 3.448 1.491 0.362) 3.774 17.822 ( -2.567 -0.781 4.795) 5.495 17.822 ( -2.567 0.781 4.795) 5.495 20.221 ( 15.879 -0.923 -0.058) 15.906 20.221 ( 15.879 0.923 -0.058) 15.906 21.659 ( -7.229 -0.713 -0.086) 7.264 21.659 ( -7.229 0.713 -0.086) 7.264 27.237 ( 1.080 -1.457 0.395) 1.857 27.237 ( 1.080 1.457 0.395) 1.857 27.401 ( -1.734 -0.418 0.130) 1.789 27.401 ( -1.734 0.418 0.130) 1.789 37.668 ( 9.297 -2.346 2.918) 10.022 37.668 ( 9.297 2.346 2.918) 10.022 37.839 ( 6.035 -2.952 3.315) 7.492 37.839 ( 6.035 2.952 3.315) 7.492 38.277 ( -4.244 -9.548 -12.558) 16.336 38.277 ( -4.244 9.548 -12.558) 16.336 39.842 ( -21.300 -3.301 6.507) 22.515 39.842 ( -21.300 3.301 6.507) 22.515 ======================= Grid point 249 (89/120) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 0.056 -4.437 -4.334) 6.203 2.456 ( 0.056 4.437 -4.334) 6.203 2.761 ( -1.815 -6.585 -10.808) 12.786 2.761 ( -1.815 6.585 -10.808) 12.786 3.258 ( -1.074 -1.636 -2.566) 3.227 3.258 ( -1.074 1.636 -2.566) 3.227 3.507 ( -7.665 -8.847 -6.897) 13.586 3.507 ( -7.665 8.847 -6.897) 13.586 4.302 ( 12.966 -3.901 1.669) 13.643 4.302 ( 12.966 3.901 1.669) 13.643 4.745 ( -0.523 -2.918 5.094) 5.894 4.745 ( -0.523 2.918 5.094) 5.894 5.626 ( 7.748 -7.584 -0.862) 10.876 5.626 ( 7.748 7.584 -0.862) 10.876 5.726 ( 5.622 -8.445 -5.948) 11.760 5.726 ( 5.622 8.445 -5.948) 11.760 6.155 ( 2.654 -7.341 3.838) 8.698 6.155 ( 2.654 7.341 3.838) 8.698 6.363 ( -0.271 -6.094 6.159) 8.668 6.363 ( -0.271 6.094 6.159) 8.668 6.554 ( 8.900 -4.651 2.203) 10.281 6.554 ( 8.900 4.651 2.203) 10.281 7.272 ( 1.141 -3.671 -2.859) 4.791 7.272 ( 1.141 3.671 -2.859) 4.791 7.564 ( -4.089 -3.907 0.732) 5.703 7.564 ( -4.089 3.907 0.732) 5.703 8.009 ( -5.849 -3.048 4.842) 8.182 8.009 ( -5.849 3.048 4.842) 8.182 8.341 ( 1.649 -1.346 0.035) 2.129 8.341 ( 1.649 1.346 0.035) 2.129 8.549 ( -4.735 -2.227 2.577) 5.833 8.549 ( -4.735 2.227 2.577) 5.833 9.740 ( -0.830 -2.930 -1.200) 3.273 9.740 ( -0.830 2.930 -1.200) 3.273 9.939 ( -7.145 -5.100 -1.785) 8.958 9.939 ( -7.145 5.100 -1.785) 8.958 16.814 ( 3.324 -3.089 -4.538) 6.418 16.814 ( 3.324 3.089 -4.538) 6.418 17.045 ( -4.139 -1.133 -1.633) 4.591 17.045 ( -4.139 1.133 -1.633) 4.591 17.578 ( 3.687 -1.640 1.039) 4.168 17.578 ( 3.687 1.641 1.039) 4.168 17.769 ( -2.888 -1.402 3.705) 4.902 17.769 ( -2.888 1.402 3.705) 4.902 20.557 ( 18.506 -1.310 -0.137) 18.553 20.557 ( 18.506 1.310 -0.137) 18.553 21.482 ( -11.229 -0.896 -0.129) 11.266 21.482 ( -11.229 0.896 -0.129) 11.266 27.261 ( 1.449 -1.257 0.342) 1.949 27.261 ( 1.449 1.257 0.342) 1.949 27.364 ( -1.972 -0.559 0.182) 2.058 27.364 ( -1.972 0.559 0.182) 2.058 37.828 ( 6.754 -3.717 1.471) 7.848 37.828 ( 6.754 3.717 1.471) 7.848 38.039 ( 14.600 -0.877 2.536) 14.844 38.039 ( 14.600 0.877 2.536) 14.844 38.186 ( -4.430 -8.291 -9.267) 13.200 38.186 ( -4.430 8.291 -9.267) 13.200 39.384 ( -25.691 -1.379 5.759) 26.364 39.384 ( -25.691 1.379 5.759) 26.364 ======================= Grid point 251 (90/120) ======================= q-point: ( 0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( 6.307 -1.474 -5.046) 8.211 2.521 ( 6.307 1.474 -5.046) 8.211 2.666 ( -7.520 -3.512 -6.780) 10.717 2.666 ( -7.520 3.512 -6.780) 10.717 3.277 ( 3.293 -4.208 -6.488) 8.405 3.277 ( 3.293 4.208 -6.488) 8.405 3.371 ( -6.165 -7.546 -9.942) 13.921 3.371 ( -6.165 7.546 -9.942) 13.921 4.532 ( 10.445 -2.445 4.923) 11.803 4.532 ( 10.445 2.445 4.923) 11.803 4.688 ( -5.601 -2.478 5.863) 8.479 4.688 ( -5.601 2.478 5.863) 8.479 5.741 ( 4.004 -7.122 -2.485) 8.539 5.741 ( 4.004 7.122 -2.485) 8.539 5.779 ( 0.163 -8.068 -4.319) 9.152 5.779 ( 0.163 8.068 -4.319) 9.152 6.225 ( 4.517 -6.193 4.268) 8.773 6.225 ( 4.517 6.193 4.268) 8.773 6.314 ( -4.211 -4.611 5.527) 8.339 6.314 ( -4.211 4.611 5.527) 8.339 6.806 ( 15.970 -5.891 -0.230) 17.023 6.806 ( 15.970 5.891 -0.230) 17.023 7.114 ( -14.681 -4.630 -0.635) 15.407 7.114 ( -14.681 4.630 -0.635) 15.407 7.652 ( 10.077 -5.023 1.442) 11.352 7.652 ( 10.077 5.023 1.442) 11.352 7.854 ( -9.928 -4.717 3.026) 11.401 7.854 ( -9.928 4.717 3.026) 11.401 8.390 ( 3.292 -0.925 1.410) 3.699 8.390 ( 3.292 0.925 1.410) 3.699 8.463 ( -4.168 -1.404 1.930) 4.803 8.463 ( -4.168 1.404 1.930) 4.803 9.749 ( 1.969 -2.852 -1.305) 3.703 9.749 ( 1.969 2.852 -1.305) 3.703 9.818 ( -5.166 -3.751 -1.516) 6.562 9.818 ( -5.166 3.751 -1.516) 6.562 16.884 ( 3.977 -2.220 -3.513) 5.752 16.884 ( 3.977 2.220 -3.513) 5.752 16.964 ( -4.262 -1.530 -2.523) 5.184 16.964 ( -4.262 1.530 -2.523) 5.184 17.648 ( 3.485 -1.782 1.801) 4.308 17.648 ( 3.485 1.782 1.801) 4.308 17.711 ( -3.153 -1.739 2.681) 4.489 17.711 ( -3.153 1.739 2.681) 4.489 20.911 ( 17.863 -1.342 -0.179) 17.914 20.911 ( 17.863 1.342 -0.179) 17.914 21.229 ( -15.060 -1.142 -0.169) 15.104 21.229 ( -15.060 1.142 -0.169) 15.104 27.292 ( 1.717 -1.027 0.285) 2.020 27.292 ( 1.717 1.027 0.285) 2.020 27.327 ( -1.910 -0.786 0.233) 2.079 27.327 ( -1.910 0.786 0.233) 2.079 37.947 ( 6.047 -5.323 -1.968) 8.294 37.947 ( 6.047 5.323 -1.968) 8.294 38.062 ( -5.851 -6.569 -5.523) 10.387 38.062 ( -5.851 6.569 -5.523) 10.387 38.422 ( 22.029 -0.873 3.436) 22.313 38.422 ( 22.029 0.873 3.436) 22.313 38.885 ( -25.636 -0.141 4.723) 26.068 38.885 ( -25.636 0.141 4.723) 26.068 ======================= Grid point 297 (91/120) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 0.000 0.000 -29.998) 29.998 1.741 ( 0.000 0.000 29.998) 29.998 1.899 ( 0.000 0.000 -28.436) 28.436 1.899 ( 0.000 0.000 28.436) 28.436 3.183 ( 0.000 0.000 -35.882) 35.882 3.183 ( 0.000 0.000 35.882) 35.882 3.416 ( 0.000 0.000 -2.453) 2.453 3.416 ( 0.000 0.000 2.453) 2.453 3.808 ( 0.000 0.000 -14.954) 14.954 3.808 ( 0.000 0.000 14.954) 14.954 4.211 ( 0.000 0.000 -5.426) 5.426 4.211 ( 0.000 0.000 5.426) 5.426 4.913 ( 0.000 0.000 -19.895) 19.895 4.913 ( 0.000 0.000 19.895) 19.895 5.657 ( 0.000 0.000 -8.151) 8.151 5.657 ( 0.000 0.000 8.151) 8.151 5.687 ( 0.000 0.000 -2.257) 2.257 5.687 ( 0.000 0.000 2.257) 2.257 5.801 ( 0.000 0.000 -2.315) 2.315 5.801 ( 0.000 0.000 2.315) 2.315 6.404 ( 0.000 0.000 -12.321) 12.321 6.404 ( 0.000 0.000 12.321) 12.321 6.452 ( 0.000 0.000 -8.421) 8.421 6.452 ( 0.000 0.000 8.421) 8.421 6.619 ( 0.000 0.000 -19.324) 19.324 6.619 ( 0.000 0.000 19.324) 19.324 7.025 ( 0.000 0.000 -10.383) 10.383 7.025 ( 0.000 0.000 10.383) 10.383 8.449 ( 0.000 0.000 -10.164) 10.164 8.449 ( 0.000 0.000 10.164) 10.164 8.789 ( 0.000 0.000 -14.510) 14.510 8.789 ( 0.000 0.000 14.510) 14.510 10.069 ( 0.000 0.000 -3.316) 3.316 10.069 ( 0.000 0.000 3.316) 3.316 10.682 ( 0.000 0.000 -16.993) 16.993 10.682 ( 0.000 0.000 16.993) 16.993 16.553 ( 0.000 0.000 -3.966) 3.966 16.553 ( 0.000 0.000 3.966) 3.966 17.014 ( 0.000 0.000 -4.934) 4.934 17.014 ( 0.000 0.000 4.934) 4.934 17.530 ( 0.000 0.000 -14.398) 14.398 17.530 ( 0.000 0.000 14.398) 14.398 17.846 ( 0.000 0.000 -6.280) 6.280 17.846 ( 0.000 0.000 6.280) 6.280 19.881 ( 0.000 0.000 -0.242) 0.242 19.881 ( 0.000 0.000 0.242) 0.242 21.841 ( 0.000 0.000 -1.698) 1.698 21.841 ( 0.000 0.000 1.698) 1.698 27.608 ( 0.000 0.000 -3.790) 3.790 27.608 ( 0.000 0.000 3.790) 3.790 27.706 ( 0.000 0.000 -1.423) 1.423 27.706 ( 0.000 0.000 1.423) 1.423 36.971 ( 0.000 0.000 -4.287) 4.287 36.971 ( 0.000 0.000 4.287) 4.287 37.728 ( 0.000 0.000 -2.335) 2.335 37.728 ( 0.000 0.000 2.335) 2.335 38.111 ( 0.000 0.000 -3.144) 3.144 38.111 ( 0.000 0.000 3.144) 3.144 40.892 ( 0.000 0.000 -4.227) 4.227 40.892 ( 0.000 0.000 4.227) 4.227 ======================= Grid point 299 (92/120) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 5.676 0.000 -28.235) 28.800 1.797 ( 5.676 0.000 28.235) 28.800 1.860 ( -3.436 0.000 -27.388) 27.603 1.860 ( -3.436 0.000 27.388) 27.603 3.269 ( 7.866 0.000 -28.435) 29.503 3.269 ( 7.866 0.000 28.435) 29.503 3.360 ( -5.711 0.000 -2.885) 6.398 3.360 ( -5.711 0.000 2.885) 6.398 3.708 ( -8.682 0.000 -17.358) 19.408 3.708 ( -8.682 0.000 17.358) 19.408 4.250 ( 3.830 0.000 -5.108) 6.385 4.250 ( 3.830 0.000 5.108) 6.385 4.947 ( 2.765 0.000 -16.000) 16.237 4.947 ( 2.765 0.000 16.000) 16.237 5.683 ( 2.820 0.000 -7.086) 7.627 5.683 ( 2.820 0.000 7.086) 7.627 5.739 ( 5.030 0.000 -2.930) 5.821 5.739 ( 5.030 0.000 2.930) 5.821 5.907 ( 9.358 0.000 -4.886) 10.557 5.907 ( 9.358 0.000 4.886) 10.557 6.418 ( 1.214 0.000 -12.966) 13.022 6.418 ( 1.214 0.000 12.966) 13.022 6.478 ( 2.652 0.000 -8.883) 9.270 6.478 ( 2.652 0.000 8.883) 9.270 6.600 ( -1.788 0.000 -17.471) 17.563 6.600 ( -1.788 0.000 17.471) 17.563 7.105 ( 8.393 0.000 -7.901) 11.527 7.105 ( 8.393 0.000 7.901) 11.527 8.386 ( -6.535 0.000 -10.031) 11.971 8.386 ( -6.535 0.000 10.031) 11.971 8.761 ( -2.738 0.000 -13.999) 14.264 8.761 ( -2.738 0.000 13.999) 14.264 10.050 ( -1.913 0.000 -3.125) 3.664 10.050 ( -1.913 0.000 3.125) 3.664 10.584 ( -9.610 0.000 -14.432) 17.339 10.584 ( -9.610 0.000 14.432) 17.339 16.565 ( 1.261 0.000 -3.966) 4.161 16.565 ( 1.261 0.000 3.966) 4.161 17.000 ( -1.387 0.000 -4.875) 5.068 17.000 ( -1.387 0.000 4.875) 5.068 17.529 ( -0.098 0.000 -14.280) 14.280 17.529 ( -0.098 0.000 14.280) 14.280 17.799 ( -4.079 0.000 -7.440) 8.484 17.799 ( -4.079 0.000 7.440) 8.484 20.031 ( 14.386 0.000 -3.137) 14.724 20.031 ( 14.386 0.000 3.137) 14.724 21.811 ( -3.107 0.000 -1.842) 3.612 21.811 ( -3.107 0.000 1.842) 3.612 27.610 ( 0.171 0.000 -3.558) 3.563 27.610 ( 0.171 0.000 3.558) 3.563 27.697 ( -0.915 0.000 -1.116) 1.443 27.697 ( -0.915 0.000 1.116) 1.443 36.991 ( 2.094 0.000 -4.268) 4.753 36.991 ( 2.094 0.000 4.268) 4.753 37.704 ( -2.494 0.000 -2.472) 3.511 37.704 ( -2.494 0.000 2.472) 3.511 38.145 ( 3.538 0.000 -2.234) 4.184 38.145 ( 3.538 0.000 2.234) 4.184 40.663 ( -22.128 0.000 -3.093) 22.343 40.663 ( -22.128 0.000 3.093) 22.343 ======================= Grid point 301 (93/120) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -0.033 0.000 -23.356) 23.356 1.814 ( -0.033 0.000 23.356) 23.356 1.952 ( 10.160 0.000 -23.781) 25.860 1.952 ( 10.160 0.000 23.781) 25.860 3.206 ( -10.067 0.000 -4.016) 10.839 3.206 ( -10.067 0.000 4.016) 10.839 3.277 ( -12.621 0.000 -6.947) 14.407 3.277 ( -12.621 0.000 6.947) 14.407 3.696 ( 12.801 0.000 -33.170) 35.555 3.696 ( 12.801 0.000 33.170) 35.555 4.341 ( 5.088 0.000 -4.231) 6.617 4.341 ( 5.088 0.000 4.231) 6.617 4.982 ( -0.002 0.000 -8.831) 8.831 4.982 ( -0.002 0.000 8.831) 8.831 5.761 ( 4.990 0.000 -6.180) 7.943 5.761 ( 4.990 0.000 6.180) 7.943 5.861 ( 7.139 0.000 -3.294) 7.862 5.861 ( 7.139 0.000 3.294) 7.862 6.089 ( 8.618 0.000 -8.733) 12.269 6.089 ( 8.618 0.000 8.733) 12.269 6.442 ( 1.095 0.000 -14.118) 14.160 6.442 ( 1.095 0.000 14.118) 14.160 6.506 ( -2.690 0.000 -19.151) 19.339 6.506 ( -2.690 0.000 19.151) 19.339 6.613 ( 6.599 0.000 -2.079) 6.919 6.613 ( 6.599 0.000 2.079) 6.919 7.335 ( 14.565 0.000 -7.719) 16.484 7.335 ( 14.565 0.000 7.719) 16.484 8.202 ( -12.445 0.000 -9.604) 15.720 8.202 ( -12.445 0.000 9.604) 15.720 8.695 ( -3.771 0.000 -12.488) 13.045 8.695 ( -3.771 0.000 12.488) 13.045 9.996 ( -3.670 0.000 -2.596) 4.495 9.996 ( -3.670 0.000 2.596) 4.495 10.355 ( -13.016 0.000 -9.568) 16.155 10.355 ( -13.016 0.000 9.568) 16.155 16.600 ( 2.322 0.000 -3.937) 4.571 16.600 ( 2.322 0.000 3.937) 4.571 16.962 ( -2.518 0.000 -4.678) 5.312 16.962 ( -2.518 0.000 4.678) 5.312 17.522 ( -0.727 0.000 -12.705) 12.726 17.522 ( -0.727 0.000 12.705) 12.726 17.725 ( -2.990 0.000 -7.303) 7.891 17.725 ( -2.990 0.000 7.303) 7.891 20.370 ( 19.502 0.000 -7.684) 20.961 20.370 ( 19.502 0.000 7.684) 20.961 21.721 ( -6.273 0.000 -2.347) 6.698 21.721 ( -6.273 0.000 2.347) 6.698 27.613 ( 0.100 0.000 -2.813) 2.815 27.613 ( 0.100 0.000 2.813) 2.815 27.678 ( -0.880 0.000 -0.362) 0.952 27.678 ( -0.880 0.000 0.362) 0.952 37.050 ( 3.967 0.000 -4.192) 5.772 37.050 ( 3.967 0.000 4.192) 5.772 37.635 ( -4.580 0.000 -2.797) 5.367 37.635 ( -4.580 0.000 2.797) 5.367 38.249 ( 7.379 0.000 -0.473) 7.394 38.249 ( 7.379 0.000 0.473) 7.394 40.137 ( -30.254 0.000 -12.269) 32.647 40.137 ( -30.254 0.000 12.269) 32.647 ======================= Grid point 303 (94/120) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 8.966 0.000 -15.873) 18.230 1.896 ( 8.966 0.000 15.873) 18.230 2.176 ( 12.972 0.000 -18.293) 22.425 2.176 ( 12.972 0.000 18.293) 22.425 2.934 ( -20.468 0.000 -9.387) 22.518 2.934 ( -20.468 0.000 9.387) 22.518 2.984 ( -12.809 0.000 -5.916) 14.109 2.984 ( -12.809 0.000 5.916) 14.109 4.033 ( 19.346 0.000 -26.280) 32.632 4.033 ( 19.346 0.000 26.280) 32.632 4.429 ( 3.809 0.000 -2.832) 4.746 4.429 ( 3.809 0.000 2.832) 4.746 4.925 ( -6.141 0.000 -5.950) 8.551 4.925 ( -6.141 0.000 5.950) 8.551 5.860 ( 4.789 0.000 -4.261) 6.410 5.860 ( 4.789 0.000 4.261) 6.410 5.996 ( 6.756 0.000 -6.671) 9.495 5.996 ( 6.756 0.000 6.671) 9.495 6.229 ( 6.050 0.000 -10.940) 12.501 6.229 ( 6.050 0.000 10.940) 12.501 6.414 ( -6.021 0.000 -18.440) 19.398 6.414 ( -6.021 0.000 18.440) 19.398 6.454 ( 0.114 0.000 -13.530) 13.531 6.454 ( 0.114 0.000 13.530) 13.531 6.827 ( 14.924 0.000 -4.915) 15.713 6.827 ( 14.924 0.000 4.915) 15.713 7.607 ( 12.413 0.000 -8.552) 15.073 7.607 ( 12.413 0.000 8.552) 15.073 7.916 ( -17.039 0.000 -8.807) 19.180 7.916 ( -17.039 0.000 8.807) 19.180 8.631 ( -2.676 0.000 -9.566) 9.933 8.631 ( -2.676 0.000 9.566) 9.933 9.917 ( -4.188 0.000 -1.687) 4.515 9.917 ( -4.188 0.000 1.687) 4.515 10.127 ( -9.920 0.000 -5.506) 11.346 10.127 ( -9.920 0.000 5.506) 11.346 16.651 ( 2.899 0.000 -3.714) 4.711 16.651 ( 2.899 0.000 3.714) 4.711 16.907 ( -3.076 0.000 -4.196) 5.203 16.907 ( -3.076 0.000 4.196) 5.203 17.504 ( -1.034 0.000 -8.086) 8.152 17.504 ( -1.034 0.000 8.086) 8.152 17.690 ( -0.836 0.000 -4.132) 4.216 17.690 ( -0.836 0.000 4.132) 4.216 20.742 ( 18.726 0.000 -8.871) 20.721 20.742 ( 18.726 0.000 8.871) 20.721 21.570 ( -9.513 0.000 -3.454) 10.120 21.570 ( -9.513 0.000 3.454) 10.120 27.612 ( -0.125 0.000 -1.638) 1.643 27.612 ( -0.125 0.000 1.638) 1.643 27.667 ( -0.275 0.000 -0.308) 0.413 27.667 ( -0.275 0.000 0.308) 0.413 37.140 ( 5.319 0.000 -3.981) 6.643 37.140 ( 5.319 0.000 3.981) 6.643 37.533 ( -5.857 0.000 -3.113) 6.633 37.533 ( -5.857 0.000 3.113) 6.633 38.431 ( 11.729 0.000 -4.484) 12.557 38.431 ( 11.729 0.000 4.484) 12.557 39.568 ( -27.926 0.000 -15.918) 32.144 39.568 ( -27.926 0.000 15.918) 32.144 ======================= Grid point 305 (95/120) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 15.887 0.000 -9.575) 18.550 2.145 ( 15.887 0.000 9.575) 18.550 2.438 ( 13.802 0.000 -12.784) 18.813 2.438 ( 13.802 0.000 12.784) 18.813 2.537 ( -19.707 0.000 -8.614) 21.507 2.537 ( -19.707 0.000 8.614) 21.507 2.725 ( -13.725 0.000 -8.587) 16.189 2.725 ( -13.725 0.000 8.587) 16.189 4.379 ( 14.805 0.000 -15.956) 21.767 4.379 ( 14.805 0.000 15.956) 21.767 4.480 ( 1.355 0.000 -1.000) 1.684 4.480 ( 1.355 0.000 1.000) 1.684 4.757 ( -10.023 0.000 -8.786) 13.328 4.757 ( -10.023 0.000 8.786) 13.328 5.925 ( 1.760 0.000 -1.259) 2.165 5.925 ( 1.760 0.000 1.259) 2.165 6.124 ( 6.342 0.000 -10.499) 12.266 6.124 ( 6.342 0.000 10.499) 12.266 6.290 ( -6.327 0.000 -14.181) 15.529 6.290 ( -6.327 0.000 14.181) 15.529 6.319 ( 2.899 0.000 -7.227) 7.787 6.319 ( 2.899 0.000 7.227) 7.787 6.447 ( -0.623 0.000 -7.883) 7.907 6.447 ( -0.623 0.000 7.883) 7.907 7.158 ( 18.313 0.000 -5.758) 19.197 7.158 ( 18.313 0.000 5.758) 19.197 7.565 ( -18.684 0.000 -7.272) 20.050 7.565 ( -18.684 0.000 7.272) 20.050 7.774 ( 4.489 0.000 -3.784) 5.871 7.774 ( 4.489 0.000 3.784) 5.871 8.598 ( -0.747 0.000 -3.864) 3.936 8.598 ( -0.747 0.000 3.864) 3.936 9.854 ( -1.879 0.000 -0.482) 1.940 9.854 ( -1.879 0.000 0.482) 1.940 9.994 ( -3.622 0.000 -1.930) 4.105 9.994 ( -3.622 0.000 1.930) 4.105 16.702 ( 1.948 0.000 -2.229) 2.960 16.702 ( 1.948 0.000 2.229) 2.960 16.854 ( -2.019 0.000 -2.396) 3.133 16.854 ( -2.019 0.000 2.396) 3.133 17.489 ( -0.427 0.000 -2.642) 2.676 17.489 ( -0.427 0.000 2.642) 2.676 17.683 ( -0.086 0.000 -1.161) 1.164 17.683 ( -0.086 0.000 1.161) 1.164 21.077 ( 15.883 0.000 -7.421) 17.531 21.077 ( 15.883 0.000 7.421) 17.531 21.356 ( -12.678 0.000 -5.240) 13.718 21.356 ( -12.678 0.000 5.240) 13.718 27.610 ( -0.087 0.000 -0.515) 0.523 27.610 ( -0.087 0.000 0.515) 0.523 27.665 ( -0.010 0.000 -0.232) 0.232 27.665 ( -0.010 0.000 0.232) 0.232 37.244 ( 4.754 0.000 -2.932) 5.585 37.244 ( 4.754 0.000 2.932) 5.585 37.422 ( -4.966 0.000 -2.639) 5.624 37.422 ( -4.966 0.000 2.639) 5.624 38.702 ( 16.422 0.000 -9.174) 18.811 38.702 ( 16.422 0.000 9.174) 18.811 39.085 ( -22.060 0.000 -13.718) 25.978 39.085 ( -22.060 0.000 13.718) 25.978 ======================= Grid point 315 (96/120) ======================= q-point: ( 0.00 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 0.000 6.418 -20.395) 21.381 1.955 ( 0.000 6.418 20.395) 21.381 1.995 ( 0.000 18.969 -19.064) 26.894 1.995 ( 0.000 18.969 19.064) 26.894 3.213 ( 0.000 6.455 -25.808) 26.603 3.213 ( 0.000 6.455 25.808) 26.603 3.473 ( 0.000 3.743 -4.690) 6.001 3.473 ( 0.000 3.743 4.690) 6.001 3.761 ( 0.000 -3.562 -17.188) 17.554 3.761 ( 0.000 -3.562 17.188) 17.554 4.304 ( 0.000 8.149 -3.937) 9.050 4.304 ( 0.000 8.149 3.937) 9.050 4.851 ( 0.000 -6.078 -18.825) 19.782 4.851 ( 0.000 -6.078 18.825) 19.782 5.672 ( 0.000 -1.555 -5.244) 5.469 5.672 ( 0.000 -1.555 5.244) 5.469 5.699 ( 0.000 1.044 -0.069) 1.046 5.699 ( 0.000 1.044 0.069) 1.046 5.996 ( 0.000 22.158 -7.814) 23.495 5.996 ( 0.000 22.158 7.814) 23.495 6.366 ( 0.000 -0.135 -13.743) 13.744 6.366 ( 0.000 -0.135 13.743) 13.744 6.611 ( 0.000 9.895 -12.222) 15.725 6.611 ( 0.000 9.895 12.222) 15.725 6.821 ( 0.000 17.154 -12.649) 21.313 6.821 ( 0.000 17.154 12.649) 21.313 7.033 ( 0.000 3.848 -6.295) 7.378 7.033 ( 0.000 3.848 6.295) 7.378 8.432 ( 0.000 -1.851 -9.088) 9.275 8.432 ( 0.000 -1.851 9.088) 9.275 8.785 ( 0.000 -0.369 -13.850) 13.855 8.785 ( 0.000 -0.369 13.850) 13.855 9.997 ( 0.000 -7.251 -3.468) 8.037 9.997 ( 0.000 -7.251 3.468) 8.037 10.556 ( 0.000 -10.685 -15.571) 18.885 10.556 ( 0.000 -10.685 15.571) 18.885 16.706 ( 0.000 13.886 -4.676) 14.652 16.706 ( 0.000 13.886 4.676) 14.652 17.041 ( 0.000 2.566 -4.590) 5.259 17.041 ( 0.000 2.566 4.590) 5.259 17.466 ( 0.000 -6.411 -15.037) 16.347 17.466 ( 0.000 -6.411 15.037) 16.347 17.776 ( 0.000 -5.872 -5.884) 8.313 17.776 ( 0.000 -5.872 5.884) 8.313 19.881 ( 0.000 -0.009 -0.232) 0.232 19.881 ( 0.000 -0.009 0.232) 0.232 21.837 ( 0.000 -0.422 -1.617) 1.671 21.837 ( 0.000 -0.422 1.617) 1.671 27.570 ( 0.000 -3.720 -3.732) 5.270 27.570 ( 0.000 -3.720 3.732) 5.270 27.681 ( 0.000 -2.468 -1.361) 2.818 27.681 ( 0.000 -2.468 1.361) 2.818 37.023 ( 0.000 5.144 -4.388) 6.761 37.023 ( 0.000 5.144 4.388) 6.761 37.770 ( 0.000 2.950 -0.189) 2.956 37.770 ( 0.000 2.950 0.189) 2.956 38.151 ( 0.000 4.243 -5.392) 6.861 38.151 ( 0.000 4.243 5.392) 6.861 40.782 ( 0.000 -10.006 -4.021) 10.784 40.782 ( 0.000 -10.006 4.021) 10.784 ======================= Grid point 317 (97/120) ======================= q-point: ( 0.11 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( -3.279 5.783 -25.123) 25.988 1.910 ( -3.279 5.783 25.123) 25.988 2.054 ( 5.180 19.747 -23.731) 31.304 2.054 ( 5.180 19.747 23.731) 31.304 3.258 ( 1.515 3.015 -13.383) 13.802 3.258 ( 1.515 3.015 13.383) 13.802 3.436 ( -1.509 4.318 -9.517) 10.559 3.436 ( -1.509 4.318 9.517) 10.559 3.706 ( -4.796 0.594 -18.850) 19.460 3.706 ( -4.796 0.594 18.850) 19.460 4.334 ( 3.068 7.563 -3.948) 9.066 4.334 ( 3.068 7.563 3.948) 9.066 4.883 ( 2.782 -6.155 -15.076) 16.520 4.883 ( 2.782 -6.155 15.076) 16.520 5.712 ( 4.346 0.164 -4.775) 6.459 5.712 ( 4.346 0.164 4.775) 6.459 5.790 ( 7.965 2.077 -4.939) 9.599 5.790 ( 7.965 2.077 4.939) 9.599 6.047 ( 5.157 18.879 -6.915) 20.756 6.047 ( 5.157 18.879 6.915) 20.756 6.361 ( -0.396 -0.917 -12.313) 12.354 6.361 ( -0.396 -0.917 12.313) 12.354 6.619 ( 0.704 8.638 -10.468) 13.590 6.619 ( 0.704 8.638 10.468) 13.590 6.803 ( -1.584 17.186 -10.681) 20.296 6.803 ( -1.584 17.186 10.681) 20.296 7.122 ( 9.051 4.075 -5.792) 11.492 7.122 ( 9.051 4.075 5.792) 11.492 8.370 ( -6.381 -1.723 -8.821) 11.022 8.370 ( -6.381 -1.723 8.821) 11.022 8.757 ( -2.800 -0.411 -13.270) 13.568 8.757 ( -2.800 -0.411 13.270) 13.568 9.975 ( -2.280 -7.604 -3.120) 8.530 9.975 ( -2.280 -7.604 3.120) 8.530 10.473 ( -8.078 -9.281 -13.559) 18.309 10.473 ( -8.078 -9.281 13.559) 18.309 16.707 ( 0.234 12.959 -4.425) 13.695 16.707 ( 0.234 12.959 4.425) 13.695 17.028 ( -1.293 2.632 -4.507) 5.377 17.028 ( -1.293 2.632 4.507) 5.377 17.468 ( 0.166 -6.052 -14.737) 15.932 17.468 ( 0.166 -6.052 14.737) 15.932 17.741 ( -3.018 -4.870 -6.656) 8.782 17.741 ( -3.018 -4.870 6.656) 8.782 20.021 ( 13.563 -0.911 -2.548) 13.831 20.021 ( 13.563 -0.911 2.548) 13.831 21.807 ( -3.152 -0.462 -1.750) 3.635 21.807 ( -3.152 -0.462 1.750) 3.635 27.572 ( 0.237 -3.671 -3.543) 5.107 27.572 ( 0.237 -3.671 3.543) 5.107 27.671 ( -0.989 -2.513 -1.114) 2.922 27.671 ( -0.989 -2.513 1.114) 2.922 37.046 ( 2.343 5.386 -4.338) 7.302 37.046 ( 2.343 5.386 4.338) 7.302 37.758 ( -1.406 4.136 -0.592) 4.409 37.758 ( -1.406 4.136 0.592) 4.409 38.171 ( 2.327 2.975 -4.264) 5.696 38.171 ( 2.327 2.975 4.264) 5.696 40.572 ( -20.535 -8.379 -2.358) 22.304 40.572 ( -20.535 -8.379 2.358) 22.304 ======================= Grid point 319 (98/120) ======================= q-point: ( 0.22 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( -0.199 5.331 -21.833) 22.475 1.867 ( -0.199 5.331 21.833) 22.475 2.189 ( 8.901 19.491 -20.435) 29.609 2.189 ( 8.901 19.491 20.435) 29.609 3.133 ( -12.520 -2.677 -4.722) 13.646 3.133 ( -12.520 -2.677 4.722) 13.646 3.402 ( -7.998 7.454 -0.483) 10.943 3.402 ( -7.998 7.454 0.483) 10.943 3.735 ( 11.743 4.993 -30.450) 33.016 3.735 ( 11.743 4.993 30.450) 33.016 4.411 ( 4.505 6.316 -4.232) 8.837 4.411 ( 4.505 6.316 4.232) 8.837 4.930 ( 1.390 -4.657 -8.480) 9.774 4.930 ( 1.390 -4.657 8.480) 9.774 5.826 ( 7.021 2.477 -5.722) 9.390 5.826 ( 7.021 2.477 5.722) 9.390 5.954 ( 8.157 6.979 -4.737) 11.734 5.954 ( 8.157 6.979 4.737) 11.734 6.174 ( 7.202 12.969 -7.043) 16.422 6.174 ( 7.202 12.969 7.043) 16.422 6.363 ( 0.927 -3.292 -10.752) 11.282 6.363 ( 0.927 -3.292 10.752) 11.282 6.628 ( -0.327 7.985 -12.577) 14.901 6.628 ( -0.327 7.985 12.577) 14.901 6.779 ( 0.224 14.896 -4.161) 15.468 6.779 ( 0.224 14.896 4.161) 15.468 7.354 ( 13.917 3.036 -7.519) 16.107 7.354 ( 13.917 3.036 7.519) 16.107 8.194 ( -11.702 -0.973 -8.048) 14.236 8.194 ( -11.702 -0.973 8.048) 14.236 8.688 ( -4.028 -0.697 -11.805) 12.492 8.688 ( -4.028 -0.697 11.805) 12.492 9.912 ( -4.139 -8.342 -2.184) 9.566 9.912 ( -4.139 -8.342 2.184) 9.566 10.279 ( -11.167 -6.297 -9.508) 15.961 10.279 ( -11.167 -6.297 9.508) 15.961 16.717 ( 0.801 10.647 -3.943) 11.382 16.717 ( 0.801 10.647 3.943) 11.382 16.993 ( -2.240 2.954 -4.280) 5.662 16.993 ( -2.240 2.954 4.280) 5.662 17.470 ( 0.025 -4.844 -12.972) 13.847 17.470 ( 0.025 -4.844 12.972) 13.847 17.686 ( -2.358 -3.482 -6.625) 7.847 17.686 ( -2.358 -3.482 6.625) 7.847 20.347 ( 19.084 -2.129 -6.485) 20.268 20.347 ( 19.084 -2.129 6.485) 20.268 21.715 ( -6.390 -0.607 -2.210) 6.789 21.715 ( -6.390 -0.607 2.210) 6.789 27.578 ( 0.275 -3.482 -2.950) 4.572 27.578 ( 0.275 -3.482 2.950) 4.572 27.649 ( -1.105 -2.741 -0.566) 3.009 27.649 ( -1.105 -2.741 0.566) 3.009 37.112 ( 4.394 6.039 -4.166) 8.552 37.112 ( 4.394 6.039 4.166) 8.552 37.711 ( -3.532 6.593 -1.355) 7.601 37.711 ( -3.532 6.593 1.355) 7.601 38.250 ( 6.098 0.289 -1.017) 6.189 38.250 ( 6.098 0.289 1.017) 6.189 40.076 ( -28.948 -5.621 -10.249) 31.219 40.076 ( -28.948 -5.621 10.249) 31.219 ======================= Grid point 321 (99/120) ======================= q-point: ( 0.33 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 7.477 4.021 -14.913) 17.161 1.934 ( 7.477 4.021 14.913) 17.161 2.389 ( 11.707 17.715 -15.771) 26.450 2.389 ( 11.707 17.715 15.771) 26.450 2.841 ( -17.004 -3.125 -6.434) 18.447 2.841 ( -17.004 -3.125 6.434) 18.447 3.180 ( -13.390 12.489 -3.594) 18.659 3.180 ( -13.390 12.489 3.594) 18.659 4.037 ( 17.081 1.594 -23.269) 28.909 4.037 ( 17.081 1.594 23.269) 28.909 4.486 ( 2.847 4.447 -4.426) 6.890 4.486 ( 2.847 4.447 4.426) 6.890 4.916 ( -2.906 0.087 -4.403) 5.276 4.916 ( -2.906 0.087 4.403) 5.276 5.962 ( 6.543 4.050 -5.194) 9.284 5.962 ( 6.543 4.050 5.194) 9.284 6.084 ( 5.324 8.672 -4.391) 11.083 6.084 ( 5.324 8.672 4.391) 11.083 6.289 ( 4.487 11.513 -6.781) 14.095 6.289 ( 4.487 11.513 6.781) 14.095 6.400 ( 2.359 -2.900 -7.705) 8.564 6.400 ( 2.359 -2.900 7.705) 8.564 6.583 ( -4.078 12.346 -14.493) 19.470 6.583 ( -4.078 12.346 14.493) 19.470 6.873 ( 10.214 5.135 -2.778) 11.765 6.873 ( 10.214 5.135 2.778) 11.765 7.590 ( 7.871 -0.849 -4.842) 9.280 7.590 ( 7.871 -0.849 4.842) 9.280 7.946 ( -12.309 2.498 -4.859) 13.467 7.946 ( -12.309 2.498 4.859) 13.467 8.617 ( -3.048 -1.320 -9.208) 9.789 8.617 ( -3.048 -1.320 9.208) 9.789 9.828 ( -4.185 -8.530 -1.127) 9.568 9.828 ( -4.185 -8.530 1.127) 9.568 10.079 ( -9.025 -4.152 -5.834) 11.521 10.079 ( -9.025 -4.152 5.834) 11.521 16.738 ( 1.401 7.900 -3.393) 8.711 16.738 ( 1.401 7.900 3.393) 8.711 16.946 ( -2.514 3.746 -3.751) 5.867 16.946 ( -2.514 3.746 3.751) 5.867 17.469 ( -0.155 -3.053 -8.635) 9.160 17.469 ( -0.155 -3.053 8.635) 9.160 17.656 ( -0.802 -3.134 -4.365) 5.433 17.656 ( -0.802 -3.134 4.365) 5.433 20.717 ( 18.842 -2.406 -7.737) 20.511 20.717 ( 18.842 -2.406 7.737) 20.511 21.561 ( -9.733 -0.914 -3.201) 10.287 21.561 ( -9.733 -0.914 3.201) 10.287 27.581 ( 0.080 -3.106 -1.912) 3.648 27.581 ( 0.080 -3.106 1.912) 3.648 27.633 ( -0.546 -3.219 -0.248) 3.274 27.633 ( -0.546 -3.219 0.248) 3.274 37.210 ( 5.731 6.831 -3.775) 9.682 37.210 ( 5.731 6.831 3.775) 9.682 37.625 ( -5.314 8.486 -2.087) 10.227 37.625 ( -5.314 8.486 2.087) 10.227 38.412 ( 10.943 -1.877 -3.615) 11.676 38.412 ( 10.943 -1.877 3.615) 11.676 39.524 ( -27.439 -4.094 -14.037) 31.092 39.524 ( -27.439 -4.094 14.037) 31.092 ======================= Grid point 323 (100/120) ======================= q-point: ( 0.44 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 12.867 1.120 -7.946) 15.165 2.141 ( 12.867 1.120 7.946) 15.165 2.498 ( -14.756 -0.021 -4.815) 15.522 2.498 ( -14.756 -0.021 4.815) 15.522 2.644 ( 11.913 14.527 -9.299) 20.963 2.644 ( 11.913 14.527 9.299) 20.963 2.914 ( -13.894 15.693 -6.528) 21.953 2.914 ( -13.894 15.693 6.528) 21.953 4.334 ( 12.588 -2.332 -14.022) 18.987 4.334 ( 12.588 -2.332 14.022) 18.987 4.497 ( -2.600 0.591 -5.666) 6.262 4.497 ( -2.600 0.591 5.666) 6.262 4.838 ( -3.733 8.046 -3.304) 9.465 4.838 ( -3.733 8.046 3.304) 9.465 6.051 ( 2.317 4.869 -1.952) 5.734 6.051 ( 2.317 4.869 1.952) 5.734 6.165 ( 2.971 4.384 -4.088) 6.690 6.165 ( 2.971 4.384 4.088) 6.690 6.348 ( 1.365 13.970 -4.909) 14.870 6.348 ( 1.365 13.970 4.909) 14.870 6.436 ( 1.955 2.671 -6.032) 6.880 6.436 ( 1.955 2.671 6.032) 6.880 6.498 ( -4.097 11.085 -10.054) 15.516 6.498 ( -4.097 11.085 10.054) 15.516 7.148 ( 17.159 -0.679 -6.061) 18.211 7.148 ( 17.159 -0.679 6.061) 18.211 7.490 ( -15.800 -4.747 -6.828) 17.855 7.490 ( -15.800 -4.747 6.828) 17.855 7.868 ( 1.818 7.117 -3.126) 7.983 7.868 ( 1.818 7.117 3.126) 7.983 8.579 ( -0.936 -1.926 -3.816) 4.376 8.579 ( -0.936 -1.926 3.816) 4.376 9.769 ( -1.612 -7.903 -0.448) 8.079 9.769 ( -1.612 -7.903 0.448) 8.079 9.953 ( -3.612 -3.809 -2.213) 5.696 9.953 ( -3.612 -3.809 2.213) 5.696 16.764 ( 0.993 5.579 -1.777) 5.939 16.764 ( 0.993 5.579 1.777) 5.939 16.905 ( -1.400 4.943 -1.923) 5.486 16.905 ( -1.400 4.943 1.923) 5.486 17.466 ( -0.084 -1.816 -2.931) 3.449 17.466 ( -0.084 -1.816 2.931) 3.449 17.649 ( -0.117 -3.248 -1.411) 3.543 17.649 ( -0.117 -3.248 1.411) 3.543 21.056 ( 16.238 -1.976 -6.642) 17.655 21.056 ( 16.238 -1.976 6.642) 17.655 21.342 ( -13.021 -1.420 -4.783) 13.944 21.342 ( -13.021 -1.420 4.783) 13.944 27.581 ( -0.023 -2.803 -0.633) 2.873 27.581 ( -0.023 -2.803 0.633) 2.873 27.627 ( -0.103 -3.611 -0.161) 3.616 27.627 ( -0.103 -3.611 0.161) 3.616 37.318 ( 4.644 7.113 -2.465) 8.845 37.318 ( 4.644 7.113 2.465) 8.845 37.522 ( -4.531 9.615 -1.903) 10.798 37.522 ( -4.531 9.615 1.903) 10.798 38.674 ( 16.322 -2.901 -8.527) 18.642 38.674 ( 16.322 -2.901 8.527) 18.642 39.046 ( -22.135 -3.724 -12.648) 25.764 39.046 ( -22.135 -3.724 12.648) 25.764 ======================= Grid point 333 (101/120) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 0.000 9.291 -16.764) 19.167 2.109 ( 0.000 9.291 16.764) 19.167 2.315 ( 0.000 12.293 -14.471) 18.988 2.315 ( 0.000 12.293 14.471) 18.988 3.431 ( 0.000 6.454 -7.610) 9.979 3.431 ( 0.000 6.454 7.610) 9.979 3.522 ( 0.000 2.945 -12.518) 12.860 3.522 ( 0.000 2.945 12.518) 12.860 3.769 ( 0.000 9.801 -19.921) 22.202 3.769 ( 0.000 9.801 19.921) 22.202 4.465 ( 0.000 5.117 -5.957) 7.853 4.465 ( 0.000 5.117 5.957) 7.853 4.713 ( 0.000 -4.742 -12.767) 13.619 4.713 ( 0.000 -4.742 12.767) 13.619 5.597 ( 0.000 -4.662 -3.687) 5.944 5.597 ( 0.000 -4.662 3.687) 5.944 5.758 ( 0.000 4.439 -2.530) 5.109 5.758 ( 0.000 4.439 2.530) 5.109 6.398 ( 0.000 3.106 -12.459) 12.841 6.398 ( 0.000 3.106 12.459) 12.841 6.525 ( 0.000 24.399 -9.491) 26.180 6.525 ( 0.000 24.399 9.491) 26.180 6.832 ( 0.000 6.894 -6.713) 9.622 6.832 ( 0.000 6.894 6.713) 9.622 6.925 ( 0.000 8.490 -13.017) 15.541 6.925 ( 0.000 8.490 13.017) 15.541 7.436 ( 0.000 27.797 -2.254) 27.888 7.436 ( 0.000 27.797 2.254) 27.888 8.364 ( 0.000 -5.457 -7.158) 9.001 8.364 ( 0.000 -5.457 7.158) 9.001 8.776 ( 0.000 -0.567 -11.834) 11.847 8.776 ( 0.000 -0.567 11.834) 11.847 9.815 ( 0.000 -9.203 -4.724) 10.345 9.815 ( 0.000 -9.203 4.724) 10.345 10.359 ( 0.000 -8.058 -13.545) 15.760 10.359 ( 0.000 -8.058 13.545) 15.760 16.973 ( 0.000 7.121 -0.506) 7.139 16.973 ( 0.000 7.121 0.506) 7.139 17.104 ( 0.000 4.095 -2.993) 5.072 17.104 ( 0.000 4.095 2.993) 5.072 17.332 ( 0.000 -2.931 -11.536) 11.902 17.332 ( 0.000 -2.931 11.536) 11.902 17.670 ( 0.000 -3.739 -4.476) 5.833 17.670 ( 0.000 -3.739 4.476) 5.833 19.880 ( 0.000 -0.016 -0.202) 0.203 19.880 ( 0.000 -0.016 0.202) 0.203 21.826 ( 0.000 -0.684 -1.392) 1.551 21.826 ( 0.000 -0.684 1.392) 1.551 27.472 ( 0.000 -5.923 -3.472) 6.865 27.472 ( 0.000 -5.923 3.472) 6.865 27.615 ( 0.000 -4.025 -1.178) 4.194 27.615 ( 0.000 -4.025 1.178) 4.194 37.160 ( 0.000 8.267 -4.512) 9.418 37.160 ( 0.000 8.267 4.512) 9.418 37.800 ( 0.000 -0.035 -2.510) 2.510 37.800 ( 0.000 -0.035 2.510) 2.510 38.257 ( 0.000 5.081 -10.290) 11.476 38.257 ( 0.000 5.081 10.290) 11.476 40.564 ( 0.000 -10.576 -5.374) 11.863 40.564 ( 0.000 -10.576 5.374) 11.863 ======================= Grid point 335 (102/120) ======================= q-point: ( 0.11 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( -3.571 9.452 -20.194) 22.580 2.063 ( -3.571 9.452 20.194) 22.580 2.383 ( 5.937 12.135 -16.933) 21.661 2.383 ( 5.937 12.135 16.933) 21.661 3.352 ( -8.580 1.391 -6.535) 10.875 3.352 ( -8.580 1.391 6.535) 10.875 3.529 ( 1.285 5.601 -7.154) 9.176 3.529 ( 1.285 5.601 7.154) 9.176 3.805 ( 3.588 12.676 -22.248) 25.856 3.805 ( 3.588 12.676 22.248) 25.856 4.486 ( 1.857 4.703 -4.981) 7.098 4.486 ( 1.857 4.703 4.981) 7.098 4.750 ( 4.007 -4.039 -9.601) 11.160 4.750 ( 4.007 -4.039 9.601) 11.160 5.675 ( 7.251 -3.787 -3.701) 8.978 5.675 ( 7.251 -3.787 3.701) 8.978 5.829 ( 7.177 3.311 -4.127) 8.917 5.829 ( 7.177 3.311 4.127) 8.917 6.369 ( -2.222 4.408 -9.628) 10.820 6.369 ( -2.222 4.408 9.628) 10.820 6.540 ( 1.309 18.050 -4.459) 18.639 6.540 ( 1.309 18.050 4.459) 18.639 6.839 ( 0.252 16.243 -5.022) 17.003 6.839 ( 0.252 16.243 5.022) 17.003 6.970 ( 4.256 4.053 -9.601) 11.257 6.970 ( 4.256 4.053 9.601) 11.257 7.458 ( 2.568 25.794 -1.266) 25.952 7.458 ( 2.568 25.794 1.266) 25.952 8.307 ( -5.831 -5.090 -6.733) 10.259 8.307 ( -5.831 -5.090 6.733) 10.259 8.746 ( -2.957 -0.636 -11.190) 11.592 8.746 ( -2.957 -0.636 11.190) 11.592 9.788 ( -2.794 -9.319 -4.328) 10.648 9.788 ( -2.794 -9.319 4.328) 10.648 10.302 ( -5.631 -7.071 -12.286) 15.253 10.302 ( -5.631 -7.071 12.286) 15.253 16.955 ( -1.703 6.569 -1.657) 6.986 16.955 ( -1.703 6.569 1.657) 6.986 17.094 ( -1.002 4.330 -3.332) 5.555 17.094 ( -1.002 4.330 3.332) 5.555 17.349 ( 1.597 -2.341 -11.094) 11.450 17.349 ( 1.597 -2.341 11.094) 11.450 17.651 ( -1.745 -3.306 -5.078) 6.306 17.651 ( -1.745 -3.306 5.078) 6.306 20.001 ( 11.903 -0.977 -1.535) 12.041 20.001 ( 11.903 -0.977 1.535) 12.041 21.794 ( -3.264 -0.742 -1.500) 3.668 21.794 ( -3.264 -0.742 1.500) 3.668 27.475 ( 0.348 -5.872 -3.337) 6.762 27.475 ( 0.348 -5.872 3.337) 6.762 27.604 ( -1.075 -4.035 -1.025) 4.299 27.604 ( -1.075 -4.035 1.025) 4.299 37.189 ( 3.017 8.695 -4.427) 10.213 37.189 ( 3.017 8.695 4.427) 10.213 37.810 ( 1.016 0.795 -2.536) 2.845 37.810 ( 1.016 0.795 2.536) 2.845 38.254 ( -0.171 4.239 -9.257) 10.183 38.254 ( -0.171 4.239 9.257) 10.183 40.388 ( -17.328 -8.783 -2.445) 19.580 40.388 ( -17.328 -8.783 2.445) 19.580 ======================= Grid point 337 (103/120) ======================= q-point: ( 0.22 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -1.005 9.010 -18.534) 20.633 2.012 ( -1.005 9.010 18.534) 20.633 2.518 ( 7.951 11.281 -15.472) 20.733 2.518 ( 7.951 11.281 15.472) 20.733 3.133 ( -13.489 2.197 -5.792) 14.843 3.133 ( -13.489 2.197 5.792) 14.843 3.516 ( -3.803 4.004 -3.637) 6.612 3.516 ( -3.803 4.004 3.637) 6.612 3.929 ( 9.664 14.651 -23.068) 28.986 3.929 ( 9.664 14.651 23.068) 28.986 4.522 ( 1.609 2.040 -3.776) 4.583 4.522 ( 1.609 2.040 3.776) 4.583 4.860 ( 6.818 0.572 -5.523) 8.793 4.860 ( 6.818 0.572 5.523) 8.793 5.831 ( 7.944 -2.047 -5.437) 9.842 5.831 ( 7.944 -2.047 5.437) 9.842 6.014 ( 11.236 1.469 -4.794) 12.304 6.014 ( 11.236 1.469 4.794) 12.304 6.340 ( -0.232 3.373 -7.712) 8.421 6.340 ( -0.232 3.373 7.712) 8.421 6.572 ( 2.140 11.108 -3.857) 11.952 6.572 ( 2.140 11.108 3.857) 11.952 6.838 ( -0.130 21.599 -6.949) 22.690 6.838 ( -0.130 21.599 6.949) 22.690 7.048 ( 2.961 8.990 -8.945) 13.024 7.048 ( 2.961 8.990 8.945) 13.024 7.545 ( 6.215 17.526 -4.114) 19.045 7.545 ( 6.215 17.526 4.114) 19.045 8.153 ( -9.544 -3.446 -5.021) 11.321 8.153 ( -9.544 -3.446 5.021) 11.321 8.671 ( -4.599 -0.949 -9.789) 10.857 8.671 ( -4.599 -0.949 9.789) 10.857 9.716 ( -4.290 -9.283 -3.400) 10.777 9.716 ( -4.290 -9.283 3.400) 10.777 10.160 ( -8.678 -5.228 -9.525) 13.906 10.160 ( -8.678 -5.228 9.525) 13.906 16.917 ( -2.025 5.440 -2.212) 6.212 16.917 ( -2.025 5.440 2.212) 6.212 17.069 ( -1.456 4.844 -3.400) 6.095 17.069 ( -1.456 4.844 3.400) 6.095 17.387 ( 2.192 -1.073 -10.013) 10.306 17.387 ( 2.192 -1.073 10.013) 10.306 17.615 ( -1.728 -2.751 -5.796) 6.645 17.615 ( -1.728 -2.751 5.796) 6.645 20.299 ( 18.032 -2.504 -4.173) 18.677 20.299 ( 18.032 -2.504 4.173) 18.677 21.699 ( -6.672 -0.951 -1.850) 6.989 21.699 ( -6.672 -0.951 1.850) 6.989 27.484 ( 0.568 -5.697 -2.949) 6.440 27.484 ( 0.568 -5.697 2.949) 6.440 27.579 ( -1.452 -4.173 -0.788) 4.488 27.579 ( -1.452 -4.173 0.788) 4.488 37.272 ( 5.433 9.756 -4.108) 11.898 37.272 ( 5.433 9.756 4.108) 11.898 37.829 ( 0.471 4.049 -1.855) 4.479 37.829 ( 0.471 4.049 1.855) 4.479 38.266 ( 2.117 1.124 -5.577) 6.070 38.266 ( 2.117 1.124 5.577) 6.070 39.954 ( -26.252 -5.612 -4.704) 27.255 39.954 ( -26.252 -5.612 4.704) 27.255 ======================= Grid point 339 (104/120) ======================= q-point: ( 0.33 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 5.126 7.242 -12.939) 15.689 2.048 ( 5.126 7.242 12.939) 15.689 2.667 ( 4.938 5.611 -12.661) 14.703 2.667 ( 4.938 5.611 12.661) 14.703 2.870 ( -10.988 8.301 -5.550) 14.848 2.870 ( -10.988 8.301 5.550) 14.848 3.390 ( -8.632 7.476 -5.503) 12.676 3.390 ( -8.632 7.476 5.503) 12.676 4.146 ( 11.759 9.856 -17.354) 23.164 4.146 ( 11.759 9.856 17.354) 23.164 4.539 ( -0.093 0.035 -4.625) 4.626 4.539 ( -0.093 0.035 4.625) 4.626 4.982 ( 5.205 7.375 -2.781) 9.445 4.982 ( 5.205 7.375 2.781) 9.445 5.947 ( 3.710 -3.551 -5.019) 7.181 5.947 ( 3.710 -3.551 5.019) 7.181 6.223 ( 9.533 4.138 -2.788) 10.760 6.223 ( 9.533 4.138 2.788) 10.760 6.367 ( 2.655 1.048 -5.445) 6.148 6.367 ( 2.655 1.048 5.445) 6.148 6.633 ( 4.376 8.141 -5.567) 10.789 6.633 ( 4.376 8.141 5.567) 10.789 6.840 ( 0.456 21.797 -7.886) 23.184 6.840 ( 0.456 21.797 7.886) 23.184 7.086 ( 2.048 14.918 -7.907) 17.008 7.086 ( 2.048 14.918 7.907) 17.008 7.622 ( -1.861 5.052 -2.173) 5.806 7.622 ( -1.861 5.052 2.173) 5.806 7.998 ( -3.735 2.983 -2.035) 5.195 7.998 ( -3.735 2.983 2.035) 5.195 8.584 ( -4.052 -1.786 -7.929) 9.082 8.584 ( -4.052 -1.786 7.929) 9.082 9.639 ( -3.369 -8.634 -2.410) 9.576 9.639 ( -3.369 -8.634 2.410) 9.576 9.991 ( -8.333 -4.259 -6.541) 11.417 9.991 ( -8.333 -4.259 6.541) 11.417 16.884 ( -1.262 4.293 -1.847) 4.841 16.884 ( -1.262 4.293 1.847) 4.841 17.042 ( -1.329 5.413 -2.640) 6.168 17.042 ( -1.329 5.413 2.640) 6.168 17.427 ( 1.845 0.358 -7.878) 8.099 17.427 ( 1.845 0.358 7.878) 8.099 17.589 ( -1.037 -2.806 -5.325) 6.108 17.589 ( -1.037 -2.806 5.325) 6.108 20.660 ( 18.929 -3.093 -5.332) 19.907 20.660 ( 18.929 -3.093 5.332) 19.907 21.537 ( -10.251 -1.381 -2.566) 10.657 21.537 ( -10.251 -1.381 2.566) 10.657 27.496 ( 0.607 -5.325 -2.334) 5.846 27.496 ( 0.607 -5.325 2.334) 5.846 27.553 ( -1.185 -4.597 -0.828) 4.819 27.553 ( -1.185 -4.597 0.828) 4.819 37.388 ( 6.357 10.613 -3.373) 12.822 37.388 ( 6.357 10.613 3.373) 12.822 37.814 ( -2.086 9.381 -0.242) 9.614 37.814 ( -2.086 9.381 0.242) 9.614 38.361 ( 8.247 -3.320 -0.818) 8.928 38.361 ( 8.247 -3.320 0.818) 8.928 39.436 ( -26.639 -3.998 -8.657) 28.294 39.436 ( -26.639 -3.998 8.657) 28.294 ======================= Grid point 341 (105/120) ======================= q-point: ( 0.44 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 9.504 4.529 -6.581) 12.415 2.200 ( 9.504 4.529 6.581) 12.415 2.518 ( -12.456 1.971 -5.687) 13.834 2.518 ( -12.456 1.971 5.687) 13.834 2.911 ( 7.380 11.047 -6.808) 14.928 2.911 ( 7.380 11.047 6.808) 14.928 3.216 ( -7.987 12.242 -5.163) 15.502 3.216 ( -7.987 12.242 5.163) 15.502 4.341 ( 7.439 3.734 -9.696) 12.779 4.341 ( 7.439 3.734 9.696) 12.779 4.511 ( -2.559 1.421 -5.476) 6.209 4.511 ( -2.559 1.421 5.476) 6.209 5.048 ( 1.654 12.559 -0.751) 12.690 5.048 ( 1.654 12.559 0.751) 12.690 5.983 ( 0.640 -5.785 -2.012) 6.159 5.983 ( 0.640 -5.785 2.012) 6.159 6.353 ( 3.729 7.432 -2.375) 8.648 6.353 ( 3.729 7.432 2.375) 8.648 6.409 ( 1.003 -1.014 -3.093) 3.407 6.409 ( 1.003 -1.014 3.093) 3.407 6.713 ( 2.664 11.908 -4.019) 12.847 6.713 ( 2.664 11.908 4.019) 12.847 6.852 ( 0.385 23.371 -4.849) 23.872 6.852 ( 0.385 23.371 4.849) 23.872 7.189 ( 9.868 8.020 -6.966) 14.499 7.189 ( 9.868 8.020 6.966) 14.499 7.440 ( -13.844 0.646 -7.504) 15.760 7.440 ( -13.844 0.646 7.504) 15.760 8.017 ( 2.302 7.977 -3.588) 9.045 8.017 ( 2.302 7.977 3.588) 9.045 8.528 ( -1.580 -2.978 -3.606) 4.936 8.528 ( -1.580 -2.978 3.606) 4.936 9.597 ( -0.936 -7.818 -1.096) 7.950 9.597 ( -0.936 -7.818 1.096) 7.950 9.866 ( -3.840 -4.313 -2.665) 6.360 9.866 ( -3.840 -4.313 2.665) 6.360 16.869 ( -0.373 3.495 -0.737) 3.591 16.869 ( -0.373 3.495 0.737) 3.591 17.023 ( -0.556 5.860 -1.027) 5.975 17.023 ( -0.556 5.860 1.027) 5.975 17.453 ( 0.744 1.540 -3.295) 3.713 17.453 ( 0.744 1.540 3.295) 3.713 17.575 ( -0.358 -3.303 -2.428) 4.114 17.575 ( -0.358 -3.303 2.428) 4.114 21.007 ( 16.947 -2.731 -4.856) 17.839 21.007 ( 16.947 -2.731 4.856) 17.839 21.306 ( -13.779 -2.054 -3.672) 14.407 21.306 ( -13.779 -2.054 3.672) 14.407 27.506 ( 0.381 -4.668 -1.193) 4.833 27.506 ( 0.381 -4.668 1.193) 4.833 27.535 ( -0.563 -5.329 -0.673) 5.401 27.535 ( -0.563 -5.329 0.673) 5.401 37.495 ( 3.809 9.990 -1.668) 10.821 37.495 ( 3.809 9.990 1.668) 10.821 37.763 ( -2.385 13.708 -0.750) 13.934 37.763 ( -2.385 13.708 0.750) 13.934 38.589 ( 15.257 -5.666 -6.042) 17.360 38.589 ( 15.257 -5.666 6.042) 17.360 38.964 ( -21.849 -3.837 -8.877) 23.894 38.964 ( -21.849 -3.837 8.877) 23.894 ======================= Grid point 351 (106/120) ======================= q-point: ( 0.00 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 0.000 9.738 -3.394) 10.313 2.301 ( 0.000 9.738 3.394) 10.313 2.536 ( 0.000 11.397 -0.209) 11.399 2.536 ( 0.000 11.397 0.209) 11.399 3.367 ( 0.000 -7.005 -12.811) 14.601 3.367 ( 0.000 -7.005 12.811) 14.601 3.564 ( 0.000 0.201 -2.803) 2.810 3.564 ( 0.000 0.201 2.803) 2.810 4.078 ( 0.000 8.204 -12.384) 14.855 4.078 ( 0.000 8.204 12.384) 14.855 4.428 ( 0.000 1.403 -14.253) 14.322 4.428 ( 0.000 1.403 14.253) 14.322 4.812 ( 0.000 11.047 -0.295) 11.051 4.812 ( 0.000 11.047 0.295) 11.051 5.506 ( 0.000 -4.487 -1.309) 4.674 5.506 ( 0.000 -4.487 1.309) 4.674 5.876 ( 0.000 7.634 -6.437) 9.986 5.876 ( 0.000 7.634 6.437) 9.986 6.477 ( 0.000 4.613 -10.223) 11.216 6.477 ( 0.000 4.613 10.223) 11.216 6.719 ( 0.000 -9.278 -7.796) 12.118 6.719 ( 0.000 -9.278 7.796) 12.118 6.795 ( 0.000 5.857 -5.570) 8.082 6.795 ( 0.000 5.857 5.570) 8.082 7.454 ( 0.000 30.505 -5.338) 30.969 7.454 ( 0.000 30.505 5.338) 30.969 7.911 ( 0.000 18.866 -6.520) 19.961 7.911 ( 0.000 18.866 6.520) 19.961 8.222 ( 0.000 -7.825 -6.713) 10.310 8.222 ( 0.000 -7.825 6.713) 10.310 8.768 ( 0.000 -0.058 -8.796) 8.797 8.768 ( 0.000 -0.058 8.796) 8.797 9.714 ( 0.000 -0.511 -5.631) 5.655 9.714 ( 0.000 -0.511 5.631) 5.655 10.246 ( 0.000 -3.727 -11.553) 12.139 10.246 ( 0.000 -3.727 11.553) 12.139 16.880 ( 0.000 -9.998 -8.244) 12.959 16.880 ( 0.000 -9.998 8.244) 12.959 17.188 ( 0.000 2.908 -2.126) 3.602 17.188 ( 0.000 2.908 2.126) 3.602 17.395 ( 0.000 2.859 -2.990) 4.137 17.395 ( 0.000 2.859 2.990) 4.137 17.693 ( 0.000 7.301 -0.780) 7.342 17.693 ( 0.000 7.301 0.780) 7.342 19.880 ( 0.000 -0.020 -0.152) 0.153 19.880 ( 0.000 -0.020 0.152) 0.153 21.811 ( 0.000 -0.722 -1.037) 1.264 21.811 ( 0.000 -0.722 1.037) 1.264 27.352 ( 0.000 -5.841 -2.802) 6.479 27.352 ( 0.000 -5.841 2.802) 6.479 27.533 ( 0.000 -4.086 -0.876) 4.179 27.533 ( 0.000 -4.086 0.876) 4.179 37.327 ( 0.000 8.080 -4.161) 9.088 37.327 ( 0.000 8.080 4.161) 9.088 37.790 ( 0.000 -0.337 -3.864) 3.878 37.790 ( 0.000 -0.337 3.864) 3.878 38.300 ( 0.000 -1.190 -14.006) 14.056 38.300 ( 0.000 -1.190 14.006) 14.056 40.411 ( 0.000 -4.647 -7.160) 8.536 40.411 ( 0.000 -4.647 7.160) 8.536 ======================= Grid point 353 (107/120) ======================= q-point: ( 0.11 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( -3.204 10.678 -13.029) 17.147 2.265 ( -3.204 10.678 13.029) 17.147 2.570 ( 3.178 8.061 -8.694) 12.275 2.570 ( 3.178 8.061 8.694) 12.275 3.307 ( -5.362 -4.174 -9.755) 11.888 3.307 ( -5.362 -4.174 9.755) 11.888 3.584 ( 1.054 0.857 -4.024) 4.247 3.584 ( 1.054 0.857 4.024) 4.247 4.118 ( 3.667 8.772 -12.715) 15.877 4.118 ( 3.667 8.772 12.715) 15.877 4.441 ( 1.473 -0.030 -12.101) 12.190 4.441 ( 1.473 -0.030 12.101) 12.190 4.857 ( 4.964 11.441 -0.933) 12.506 4.857 ( 4.964 11.441 0.933) 12.506 5.584 ( 7.493 -4.996 -2.013) 9.228 5.584 ( 7.493 -4.996 2.013) 9.228 5.930 ( 5.433 6.796 -6.489) 10.854 5.930 ( 5.433 6.796 6.489) 10.854 6.460 ( -1.784 4.771 -9.622) 10.888 6.460 ( -1.784 4.771 9.622) 10.888 6.629 ( -4.249 -4.678 -6.681) 9.196 6.629 ( -4.249 -4.678 6.681) 9.196 6.930 ( 8.823 0.690 -5.443) 10.389 6.930 ( 8.823 0.690 5.443) 10.389 7.453 ( -0.024 30.198 -5.036) 30.615 7.453 ( -0.024 30.198 5.036) 30.615 7.913 ( 0.075 18.086 -6.312) 19.156 7.913 ( 0.075 18.086 6.312) 19.156 8.177 ( -4.407 -6.688 -6.177) 10.115 8.177 ( -4.407 -6.688 6.177) 10.115 8.737 ( -3.089 -0.135 -8.140) 8.707 8.737 ( -3.089 -0.135 8.140) 8.707 9.687 ( -2.622 -0.261 -5.440) 6.045 9.687 ( -2.622 -0.261 5.440) 6.045 10.201 ( -4.508 -3.386 -10.794) 12.177 10.201 ( -4.508 -3.386 10.794) 12.177 16.878 ( -0.182 -9.019 -7.499) 11.730 16.878 ( -0.182 -9.019 7.499) 11.730 17.176 ( -1.224 2.471 -1.577) 3.177 17.176 ( -1.224 2.471 1.577) 3.177 17.408 ( 1.343 3.021 -3.053) 4.500 17.408 ( 1.343 3.021 3.053) 4.500 17.676 ( -1.607 7.174 -1.544) 7.512 17.676 ( -1.607 7.174 1.544) 7.512 19.985 ( 10.489 -0.654 -0.816) 10.541 19.985 ( 10.489 -0.654 0.816) 10.541 21.779 ( -3.384 -0.772 -1.111) 3.645 21.779 ( -3.384 -0.772 1.111) 3.645 27.357 ( 0.451 -5.794 -2.708) 6.412 27.357 ( 0.451 -5.794 2.708) 6.412 27.522 ( -1.079 -4.064 -0.787) 4.278 27.522 ( -1.079 -4.064 0.787) 4.278 37.366 ( 4.018 8.673 -4.152) 10.421 37.366 ( 4.018 8.673 4.152) 10.421 37.807 ( 1.882 -0.386 -3.837) 4.291 37.807 ( 1.882 -0.386 3.837) 4.291 38.288 ( -1.132 -1.310 -13.155) 13.269 38.288 ( -1.132 -1.310 13.155) 13.269 40.266 ( -14.570 -3.416 -5.377) 15.901 40.266 ( -14.570 -3.416 5.377) 15.901 ======================= Grid point 355 (108/120) ======================= q-point: ( 0.22 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -2.433 10.071 -14.009) 17.424 2.203 ( -2.433 10.071 14.009) 17.424 2.644 ( 4.025 2.812 -10.902) 11.957 2.644 ( 4.025 2.812 10.902) 11.957 3.182 ( -7.355 2.267 -5.752) 9.609 3.182 ( -7.355 2.267 5.752) 9.609 3.567 ( -3.332 1.677 -6.176) 7.215 3.567 ( -3.332 1.677 6.176) 7.215 4.214 ( 6.558 7.798 -13.330) 16.778 4.214 ( 6.558 7.798 13.330) 16.778 4.485 ( 2.760 0.803 -6.956) 7.527 4.485 ( 2.760 0.803 6.956) 7.527 5.002 ( 9.484 11.662 -1.761) 15.134 5.002 ( 9.484 11.662 1.761) 15.134 5.748 ( 8.145 -5.613 -4.188) 10.742 5.748 ( 8.145 -5.613 4.188) 10.742 6.076 ( 9.486 4.697 -5.986) 12.160 6.076 ( 9.486 4.697 5.986) 12.160 6.423 ( -1.219 3.742 -8.241) 9.132 6.423 ( -1.219 3.742 8.241) 9.132 6.581 ( -0.867 -4.335 -7.171) 8.424 6.581 ( -0.867 -4.335 7.171) 8.424 7.091 ( 7.357 1.517 -5.810) 9.496 7.091 ( 7.357 1.517 5.810) 9.496 7.453 ( 0.065 28.165 -3.859) 28.428 7.453 ( 0.065 28.165 3.859) 28.428 7.889 ( -4.185 11.003 -7.678) 14.054 7.889 ( -4.185 11.003 7.678) 14.054 8.090 ( -2.676 1.049 -3.318) 4.390 8.090 ( -2.676 1.049 3.318) 4.390 8.657 ( -4.923 -0.250 -6.716) 8.331 8.657 ( -4.923 -0.250 6.716) 8.331 9.622 ( -3.820 0.330 -4.835) 6.171 9.622 ( -3.820 0.330 4.835) 6.171 10.082 ( -7.565 -2.631 -8.945) 12.007 10.082 ( -7.565 -2.631 8.945) 12.007 16.875 ( -0.083 -6.567 -5.646) 8.660 16.875 ( -0.083 -6.567 5.646) 8.660 17.144 ( -1.999 1.389 -0.954) 2.615 17.144 ( -1.999 1.389 0.954) 2.615 17.443 ( 2.214 3.376 -3.479) 5.330 17.443 ( 2.214 3.376 3.479) 5.330 17.640 ( -1.943 6.623 -2.981) 7.518 17.640 ( -1.943 6.623 2.981) 7.518 20.256 ( 16.892 -1.797 -2.273) 17.139 20.256 ( 16.892 -1.797 2.273) 17.139 21.680 ( -6.973 -0.949 -1.338) 7.163 21.680 ( -6.973 -0.949 1.338) 7.163 27.369 ( 0.802 -5.645 -2.446) 6.205 27.369 ( 0.802 -5.645 2.446) 6.205 27.495 ( -1.632 -4.090 -0.705) 4.459 27.495 ( -1.632 -4.090 0.705) 4.459 37.473 ( 6.692 10.080 -3.993) 12.742 37.473 ( 6.692 10.080 3.993) 12.742 37.864 ( 4.133 0.286 -3.314) 5.305 37.864 ( 4.133 0.286 3.314) 5.305 38.263 ( -1.053 -2.131 -10.276) 10.547 38.263 ( -1.053 -2.131 10.276) 10.547 39.886 ( -23.818 -1.094 -1.635) 23.899 39.886 ( -23.818 -1.094 1.635) 23.899 ======================= Grid point 357 (109/120) ======================= q-point: ( 0.33 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 2.669 7.849 -9.574) 12.665 2.201 ( 2.669 7.849 9.574) 12.665 2.685 ( -1.644 -0.968 -9.988) 10.169 2.685 ( -1.644 -0.968 9.988) 10.169 3.059 ( -3.616 8.278 -4.419) 10.056 3.059 ( -3.616 8.278 4.419) 10.056 3.466 ( -6.494 0.956 -7.965) 10.321 3.466 ( -6.494 0.956 7.965) 10.321 4.357 ( 7.434 6.829 -11.582) 15.364 4.357 ( 7.434 6.829 11.582) 15.364 4.535 ( 2.269 3.521 -3.637) 5.547 4.535 ( 2.269 3.521 3.637) 5.547 5.186 ( 8.747 12.363 -1.945) 15.268 5.186 ( 8.747 12.363 1.945) 15.268 5.856 ( 2.844 -5.189 -5.243) 7.906 5.856 ( 2.844 -5.189 5.243) 7.906 6.264 ( 8.491 0.876 -3.506) 9.229 6.264 ( 8.491 0.876 3.506) 9.229 6.428 ( 1.393 3.532 -6.218) 7.286 6.428 ( 1.393 3.532 6.218) 7.286 6.609 ( 5.039 -4.786 -7.772) 10.426 6.609 ( 5.039 -4.786 7.772) 10.426 7.190 ( 2.337 6.256 -5.879) 8.897 7.190 ( 2.337 6.256 5.879) 8.897 7.456 ( 0.285 21.699 -3.867) 22.043 7.456 ( 0.285 21.699 3.867) 22.043 7.735 ( -10.168 4.592 -8.235) 13.867 7.735 ( -10.168 4.592 8.235) 13.867 8.111 ( 3.775 9.237 -2.876) 10.385 8.111 ( 3.775 9.237 2.876) 10.385 8.559 ( -5.003 -0.504 -5.398) 7.377 8.559 ( -5.003 -0.504 5.398) 7.377 9.556 ( -2.761 0.907 -3.708) 4.711 9.556 ( -2.761 0.907 3.708) 4.711 9.928 ( -7.890 -1.867 -6.495) 10.388 9.928 ( -7.890 -1.867 6.495) 10.388 16.876 ( 0.181 -3.695 -3.376) 5.008 16.876 ( 0.181 -3.695 3.376) 5.008 17.105 ( -1.912 -0.037 -0.779) 2.065 17.105 ( -1.912 -0.037 0.779) 2.065 17.489 ( 2.394 3.895 -4.096) 6.138 17.489 ( 2.394 3.895 4.096) 6.138 17.604 ( -1.730 5.648 -4.092) 7.186 17.604 ( -1.730 5.648 4.092) 7.186 20.604 ( 18.783 -2.410 -3.081) 19.186 20.604 ( 18.783 -2.410 3.081) 19.186 21.510 ( -10.783 -1.305 -1.763) 11.004 21.510 ( -10.783 -1.305 1.763) 11.004 27.387 ( 1.029 -5.377 -2.071) 5.853 27.387 ( 1.029 -5.377 2.071) 5.853 27.463 ( -1.638 -4.296 -0.888) 4.683 27.463 ( -1.638 -4.296 0.888) 4.683 37.600 ( 5.953 10.348 -3.293) 12.384 37.600 ( 5.953 10.348 3.293) 12.384 37.958 ( 4.723 5.068 -1.233) 7.037 37.958 ( 4.723 5.068 1.233) 7.037 38.279 ( 4.144 -5.142 -3.729) 7.584 38.279 ( 4.144 -5.142 3.729) 7.584 39.395 ( -26.330 0.046 -2.270) 26.427 39.395 ( -26.330 0.046 2.270) 26.427 ======================= Grid point 359 (110/120) ======================= q-point: ( 0.44 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 6.873 5.575 -4.391) 9.879 2.303 ( 6.873 5.575 4.391) 9.879 2.562 ( -8.562 2.011 -5.132) 10.183 2.562 ( -8.562 2.011 5.132) 10.183 3.072 ( 2.829 5.819 -4.271) 7.753 3.072 ( 2.829 5.819 4.271) 7.753 3.347 ( -4.671 1.627 -5.345) 7.282 3.347 ( -4.671 1.627 5.345) 7.282 4.465 ( 3.193 7.160 -5.621) 9.646 4.465 ( 3.193 7.160 5.621) 9.646 4.566 ( 0.860 4.534 -2.234) 5.127 4.566 ( 0.860 4.534 2.234) 5.127 5.309 ( 3.528 13.503 -1.104) 14.000 5.309 ( 3.528 13.503 1.104) 14.000 5.875 ( -0.048 -4.889 -2.511) 5.496 5.875 ( -0.048 -4.889 2.511) 5.496 6.357 ( 1.683 -2.972 -2.681) 4.342 6.357 ( 1.683 -2.972 2.681) 4.342 6.453 ( 0.880 1.743 -3.335) 3.864 6.453 ( 0.880 1.743 3.335) 3.864 6.782 ( 9.956 -0.806 -6.806) 12.087 6.782 ( 9.956 -0.806 6.806) 12.087 7.156 ( -5.189 4.322 -5.571) 8.754 7.156 ( -5.189 4.322 5.571) 8.754 7.475 ( 1.940 15.041 -7.085) 16.739 7.475 ( 1.940 15.041 7.085) 16.739 7.565 ( -6.213 12.433 -7.285) 15.693 7.565 ( -6.213 12.433 7.285) 15.693 8.188 ( 3.066 9.367 -2.519) 10.173 8.188 ( 3.066 9.367 2.519) 10.173 8.480 ( -2.722 -1.440 -2.930) 4.251 8.480 ( -2.722 -1.440 2.930) 4.251 9.524 ( -0.634 1.218 -1.638) 2.137 9.524 ( -0.634 1.218 1.638) 2.137 9.807 ( -3.805 -1.346 -2.719) 4.866 9.807 ( -3.805 -1.346 2.719) 4.866 16.880 ( 0.167 -1.600 -1.108) 1.953 16.880 ( 0.167 -1.600 1.108) 1.953 17.077 ( -0.823 -1.275 -0.328) 1.552 17.077 ( -0.823 -1.275 0.328) 1.552 17.532 ( 1.979 4.949 -4.248) 6.816 17.532 ( 1.979 4.949 4.248) 6.816 17.572 ( -1.641 4.249 -4.297) 6.262 17.572 ( -1.641 4.249 4.297) 6.262 20.956 ( 17.504 -2.292 -2.980) 17.903 20.956 ( 17.504 -2.292 2.980) 17.903 21.267 ( -14.494 -1.829 -2.386) 14.803 21.267 ( -14.494 -1.829 2.386) 14.803 27.408 ( 1.172 -4.956 -1.618) 5.343 27.408 ( 1.172 -4.956 1.618) 5.343 27.434 ( -1.383 -4.716 -1.209) 5.062 27.434 ( -1.383 -4.716 1.209) 5.062 37.682 ( 2.254 8.620 -1.475) 9.031 37.682 ( 2.254 8.620 1.475) 9.031 38.008 ( 0.706 9.669 -2.025) 9.904 38.008 ( 0.706 9.669 2.025) 9.904 38.468 ( 14.455 -5.567 -3.002) 15.778 38.468 ( 14.455 -5.567 3.002) 15.778 38.917 ( -21.768 -0.750 -3.637) 22.082 38.917 ( -21.768 -0.750 3.637) 22.082 ======================= Grid point 369 (111/120) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 0.000 7.968 -3.052) 8.532 2.479 ( 0.000 7.968 3.052) 8.532 2.758 ( 0.000 9.891 -7.194) 12.231 2.758 ( 0.000 9.891 7.194) 12.231 3.229 ( 0.000 -6.000 -8.210) 10.169 3.229 ( 0.000 -6.000 8.210) 10.169 3.556 ( 0.000 -0.610 -1.106) 1.263 3.556 ( 0.000 -0.610 1.106) 1.263 3.951 ( 0.000 -11.677 -9.446) 15.020 3.951 ( 0.000 -11.677 9.446) 15.020 4.641 ( 0.000 11.061 -5.696) 12.441 4.641 ( 0.000 11.061 5.696) 12.441 5.048 ( 0.000 12.260 -0.056) 12.260 5.048 ( 0.000 12.260 0.056) 12.260 5.417 ( 0.000 -4.882 -1.414) 5.083 5.417 ( 0.000 -4.882 1.414) 5.083 6.053 ( 0.000 10.082 -8.475) 13.171 6.053 ( 0.000 10.082 8.475) 13.171 6.496 ( 0.000 -11.773 -1.694) 11.895 6.496 ( 0.000 -11.773 1.694) 11.895 6.567 ( 0.000 3.353 -5.679) 6.595 6.567 ( 0.000 3.353 5.679) 6.595 6.856 ( 0.000 0.877 -3.337) 3.451 6.856 ( 0.000 0.877 3.337) 3.451 7.856 ( 0.000 5.531 -1.318) 5.686 7.856 ( 0.000 5.531 1.318) 5.686 8.128 ( 0.000 6.964 -2.418) 7.372 8.128 ( 0.000 6.964 2.418) 7.372 8.205 ( 0.000 6.834 -0.400) 6.846 8.205 ( 0.000 6.834 0.400) 6.846 8.779 ( 0.000 1.178 -4.348) 4.504 8.779 ( 0.000 1.178 4.348) 4.504 9.759 ( 0.000 3.424 -3.447) 4.858 9.759 ( 0.000 3.424 3.447) 4.858 10.203 ( 0.000 -0.851 -7.375) 7.424 10.203 ( 0.000 -0.851 7.375) 7.424 16.708 ( 0.000 -6.466 -5.069) 8.216 16.708 ( 0.000 -6.466 5.069) 8.216 17.210 ( 0.000 -0.318 -1.433) 1.468 17.210 ( 0.000 -0.318 1.433) 1.468 17.414 ( 0.000 0.556 -1.716) 1.804 17.414 ( 0.000 0.556 1.716) 1.804 17.866 ( 0.000 7.635 -0.522) 7.653 17.866 ( 0.000 7.635 0.522) 7.653 19.880 ( 0.000 -0.015 -0.082) 0.083 19.880 ( 0.000 -0.015 0.082) 0.083 21.799 ( 0.000 -0.480 -0.559) 0.736 21.799 ( 0.000 -0.480 0.559) 0.736 27.256 ( 0.000 -3.584 -1.596) 3.924 27.256 ( 0.000 -3.584 1.596) 3.924 27.465 ( 0.000 -2.561 -0.468) 2.604 27.465 ( 0.000 -2.561 0.468) 2.604 37.452 ( 0.000 4.212 -2.384) 4.840 37.452 ( 0.000 4.212 2.384) 4.840 37.806 ( 0.000 2.091 -4.905) 5.332 37.806 ( 0.000 2.091 4.905) 5.332 38.229 ( 0.000 -4.884 -11.963) 12.922 38.229 ( 0.000 -4.884 11.963) 12.922 40.367 ( 0.000 -0.536 -5.146) 5.174 40.367 ( 0.000 -0.536 5.146) 5.174 ======================= Grid point 371 (112/120) ======================= q-point: ( 0.11 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( -1.965 9.334 -6.622) 11.612 2.467 ( -1.965 9.334 6.622) 11.612 2.696 ( -4.442 3.753 -2.602) 6.371 2.696 ( -4.442 3.753 2.602) 6.371 3.229 ( -0.212 -2.916 -6.777) 7.380 3.229 ( -0.212 -2.916 6.777) 7.380 3.611 ( 3.969 2.861 -5.250) 7.176 3.611 ( 3.969 2.861 5.250) 7.176 3.991 ( 4.065 -12.896 -10.271) 16.980 3.991 ( 4.065 -12.896 10.271) 16.980 4.636 ( 0.094 10.851 -4.918) 11.914 4.636 ( 0.094 10.851 4.918) 11.914 5.104 ( 5.658 12.861 -0.843) 14.076 5.104 ( 5.658 12.861 0.843) 14.076 5.482 ( 6.402 -5.621 -0.799) 8.557 5.482 ( 6.402 -5.621 0.799) 8.557 6.083 ( 3.061 8.317 -8.170) 12.053 6.083 ( 3.061 8.317 8.170) 12.053 6.445 ( -4.003 -9.272 -3.117) 10.569 6.445 ( -4.003 -9.272 3.117) 10.569 6.570 ( 0.090 2.997 -3.862) 4.890 6.570 ( 0.090 2.997 3.862) 4.890 6.934 ( 7.031 -0.492 -4.331) 8.272 6.934 ( 7.031 -0.492 4.331) 8.272 7.832 ( -2.660 3.791 -1.291) 4.808 7.832 ( -2.660 3.791 1.291) 4.808 8.103 ( -2.579 8.207 -3.422) 9.259 8.103 ( -2.579 8.207 3.422) 9.259 8.209 ( 0.626 7.203 -2.763) 7.740 8.209 ( 0.626 7.203 2.763) 7.740 8.747 ( -3.226 1.101 -3.936) 5.207 8.747 ( -3.226 1.101 3.936) 5.207 9.740 ( -1.845 3.910 -3.430) 5.518 9.740 ( -1.845 3.910 3.430) 5.518 10.163 ( -4.110 -0.759 -7.007) 8.159 10.163 ( -4.110 -0.759 7.007) 8.159 16.719 ( 1.120 -6.076 -4.781) 7.812 16.719 ( 1.120 -6.076 4.781) 7.812 17.187 ( -2.242 -0.779 -1.093) 2.613 17.187 ( -2.242 -0.779 1.093) 2.613 17.437 ( 2.225 1.046 -1.545) 2.904 17.437 ( 2.225 1.046 1.545) 2.904 17.846 ( -1.940 7.525 -0.230) 7.775 17.846 ( -1.940 7.525 0.230) 7.775 19.975 ( 9.655 -0.313 -0.360) 9.667 19.975 ( 9.655 -0.313 0.360) 9.667 21.766 ( -3.467 -0.506 -0.597) 3.555 21.766 ( -3.467 -0.506 0.597) 3.555 27.262 ( 0.535 -3.553 -1.546) 3.912 27.262 ( 0.535 -3.553 1.546) 3.912 27.455 ( -1.045 -2.540 -0.427) 2.780 27.455 ( -1.045 -2.540 0.427) 2.780 37.503 ( 5.254 4.715 -2.475) 7.480 37.503 ( 5.254 4.715 2.475) 7.480 37.819 ( 1.452 1.848 -4.758) 5.307 37.819 ( 1.452 1.848 4.758) 5.307 38.217 ( -1.243 -4.903 -11.480) 12.545 38.217 ( -1.243 -4.903 11.480) 12.545 40.240 ( -12.901 0.055 -4.364) 13.619 40.240 ( -12.901 0.055 4.364) 13.619 ======================= Grid point 373 (113/120) ======================= q-point: ( 0.22 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( -4.807 8.580 -8.956) 13.302 2.391 ( -4.807 8.580 8.956) 13.302 2.655 ( 0.099 -1.436 -7.183) 7.326 2.655 ( 0.099 -1.436 7.183) 7.326 3.214 ( -1.406 0.847 -3.811) 4.150 3.214 ( -1.406 0.847 3.811) 4.150 3.614 ( -4.856 3.782 -6.662) 9.070 3.614 ( -4.856 3.782 6.662) 9.070 4.125 ( 10.259 -9.682 -7.239) 15.855 4.125 ( 10.259 -9.682 7.239) 15.855 4.663 ( 2.545 10.168 -3.484) 11.046 4.663 ( 2.545 10.168 3.484) 11.046 5.254 ( 9.421 13.111 -1.491) 16.213 5.254 ( 9.421 13.111 1.491) 16.213 5.632 ( 8.093 -6.218 -1.556) 10.324 5.632 ( 8.093 -6.218 1.556) 10.324 6.165 ( 5.104 3.292 -6.912) 9.201 6.165 ( 5.104 3.292 6.912) 9.201 6.390 ( -0.624 -5.973 -6.510) 8.857 6.390 ( -0.624 -5.973 6.510) 8.857 6.563 ( -0.884 2.669 -3.063) 4.158 6.563 ( -0.884 2.669 3.063) 4.158 7.092 ( 8.879 -0.745 -4.330) 9.907 7.092 ( 8.879 -0.745 4.330) 9.907 7.744 ( -6.629 -0.259 -2.336) 7.033 7.744 ( -6.629 -0.259 2.336) 7.033 8.036 ( -4.258 11.477 -3.062) 12.619 8.036 ( -4.258 11.477 3.062) 12.619 8.233 ( 1.961 7.096 -2.767) 7.865 8.233 ( 1.961 7.096 2.767) 7.865 8.665 ( -5.004 0.960 -3.074) 5.950 8.665 ( -5.004 0.960 3.074) 5.950 9.694 ( -2.741 5.097 -3.248) 6.636 9.694 ( -2.741 5.097 3.248) 6.636 10.054 ( -6.863 -0.421 -6.013) 9.134 10.054 ( -6.863 -0.421 6.013) 9.134 16.751 ( 2.115 -4.976 -4.000) 6.726 16.751 ( 2.115 -4.976 4.000) 6.726 17.131 ( -3.395 -1.711 -0.723) 3.870 17.131 ( -3.395 -1.711 0.723) 3.870 17.491 ( 3.264 1.988 -1.489) 4.102 17.491 ( 3.264 1.988 1.489) 4.102 17.799 ( -2.804 7.085 -0.696) 7.651 17.799 ( -2.804 7.085 0.696) 7.651 20.229 ( 16.105 -0.887 -0.986) 16.160 20.229 ( 16.105 -0.887 0.986) 16.160 21.664 ( -7.180 -0.600 -0.708) 7.239 21.664 ( -7.180 -0.600 0.708) 7.239 27.276 ( 0.981 -3.456 -1.408) 3.859 27.276 ( 0.981 -3.456 1.408) 3.859 27.428 ( -1.693 -2.530 -0.406) 3.071 27.428 ( -1.693 -2.530 0.406) 3.071 37.642 ( 8.472 6.422 -2.850) 11.007 37.642 ( 8.472 6.422 2.850) 11.007 37.871 ( 4.590 1.066 -3.737) 6.014 37.871 ( 4.590 1.066 3.737) 6.014 38.185 ( -1.928 -5.122 -9.934) 11.342 38.185 ( -1.928 -5.122 9.934) 11.342 39.895 ( -22.189 1.244 -2.537) 22.368 39.895 ( -22.189 1.244 2.537) 22.368 ======================= Grid point 375 (114/120) ======================= q-point: ( 0.33 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 0.328 5.790 -5.194) 7.785 2.340 ( 0.328 5.790 5.194) 7.785 2.657 ( -1.169 -1.686 -6.629) 6.939 2.657 ( -1.169 -1.686 6.629) 6.939 3.179 ( -1.839 3.992 -1.714) 4.717 3.179 ( -1.839 3.992 1.714) 4.717 3.463 ( -9.001 -0.452 -6.756) 11.263 3.463 ( -9.001 -0.452 6.756) 11.263 4.352 ( 12.162 -2.945 -4.062) 13.156 4.352 ( 12.162 -2.945 4.062) 13.156 4.706 ( 1.133 8.895 -2.813) 9.398 4.706 ( 1.133 8.895 2.813) 9.398 5.436 ( 8.629 12.318 -0.854) 15.064 5.436 ( 8.629 12.318 0.854) 15.064 5.755 ( 4.210 -5.045 -3.166) 7.294 5.755 ( 4.210 -5.045 3.166) 7.294 6.248 ( 3.126 -2.976 -5.302) 6.837 6.248 ( 3.126 -2.976 5.302) 6.837 6.440 ( 3.016 -2.372 -6.267) 7.348 6.440 ( 3.016 -2.372 6.267) 7.348 6.567 ( 4.610 1.620 -4.152) 6.412 6.567 ( 4.610 1.620 4.152) 6.412 7.238 ( 4.057 0.460 -3.905) 5.650 7.238 ( 4.057 0.460 3.905) 5.650 7.604 ( -5.707 -2.079 -3.912) 7.225 7.604 ( -5.707 -2.079 3.912) 7.225 7.940 ( -5.812 12.028 -3.391) 13.782 7.940 ( -5.812 12.028 3.391) 13.782 8.284 ( 3.231 6.451 -1.301) 7.331 8.284 ( 3.231 6.451 1.301) 7.331 8.565 ( -5.184 0.892 -2.331) 5.753 8.565 ( -5.184 0.892 2.331) 5.753 9.647 ( -1.873 6.452 -2.648) 7.222 9.647 ( -1.873 6.452 2.648) 7.222 9.915 ( -7.091 0.172 -4.520) 8.411 9.915 ( -7.091 0.172 4.520) 8.411 16.798 ( 2.744 -3.270 -2.892) 5.156 16.798 ( 2.744 -3.270 2.892) 5.156 17.062 ( -3.675 -2.995 -0.686) 4.790 17.062 ( -3.675 -2.995 0.686) 4.790 17.557 ( 3.503 3.014 -1.638) 4.903 17.557 ( 3.503 3.014 1.638) 4.903 17.743 ( -2.958 6.255 -1.365) 7.052 17.743 ( -2.958 6.255 1.365) 7.052 20.568 ( 18.563 -1.252 -1.381) 18.657 20.568 ( 18.563 -1.252 1.381) 18.657 21.489 ( -11.137 -0.787 -0.900) 11.201 21.489 ( -11.137 -0.787 0.900) 11.201 27.299 ( 1.308 -3.288 -1.210) 3.740 27.299 ( 1.308 -3.288 1.210) 3.740 27.393 ( -1.868 -2.616 -0.537) 3.259 27.393 ( -1.868 -2.616 0.537) 3.259 37.776 ( 4.593 7.160 -3.636) 9.252 37.776 ( 4.593 7.160 3.636) 9.252 38.026 ( 9.865 2.318 -1.474) 10.240 38.026 ( 9.865 2.318 1.474) 10.240 38.165 ( 2.385 -5.954 -5.423) 8.399 38.165 ( 2.385 -5.954 5.423) 8.399 39.422 ( -26.247 1.912 -0.660) 26.325 39.422 ( -26.247 1.912 0.660) 26.325 ======================= Grid point 377 (115/120) ======================= q-point: ( 0.44 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( 5.541 4.454 -1.815) 7.337 2.405 ( 5.541 4.454 1.815) 7.337 2.584 ( -5.813 0.124 -3.557) 6.816 2.584 ( -5.813 0.124 3.557) 6.816 3.163 ( 0.178 3.870 -1.339) 4.099 3.163 ( 0.178 3.870 1.339) 4.099 3.325 ( -4.431 -2.844 -4.312) 6.806 3.325 ( -4.431 -2.844 4.312) 6.806 4.559 ( 8.753 2.571 -3.055) 9.620 4.559 ( 8.753 2.571 3.055) 9.620 4.686 ( -3.448 6.003 -2.754) 7.451 4.686 ( -3.448 6.003 2.754) 7.451 5.558 ( 3.549 11.140 -0.453) 11.701 5.558 ( 3.549 11.140 0.453) 11.701 5.796 ( 0.573 -3.326 -2.009) 3.928 5.796 ( 0.573 -3.326 2.009) 3.928 6.296 ( 1.730 -2.633 -2.998) 4.349 6.296 ( 1.730 -2.633 2.998) 4.349 6.428 ( -1.671 -3.704 -2.125) 4.585 6.428 ( -1.671 -3.704 2.125) 4.585 6.782 ( 13.495 1.241 -5.026) 14.454 6.782 ( 13.495 1.241 5.026) 14.454 7.145 ( -11.141 -2.844 -3.877) 12.134 7.145 ( -11.141 -2.844 3.877) 12.134 7.636 ( 7.370 3.728 -4.699) 9.502 7.636 ( 7.370 3.728 4.699) 9.502 7.809 ( -7.738 8.558 -4.414) 12.354 7.809 ( -7.738 8.558 4.414) 12.354 8.350 ( 3.123 5.997 -0.389) 6.772 8.350 ( 3.123 5.997 0.389) 6.772 8.475 ( -3.727 0.609 -1.378) 4.020 8.475 ( -3.727 0.609 1.378) 4.020 9.628 ( -0.166 7.668 -1.297) 7.779 9.628 ( -0.166 7.668 1.297) 7.779 9.806 ( -3.521 0.447 -2.032) 4.090 9.806 ( -3.521 0.447 2.032) 4.090 16.848 ( 1.939 -0.925 -1.313) 2.518 16.848 ( 1.939 -0.925 1.313) 2.518 17.000 ( -2.276 -5.011 -0.540) 5.530 17.000 ( -2.276 -5.011 0.540) 5.530 17.623 ( 3.254 4.106 -1.741) 5.521 17.623 ( 3.254 4.106 1.741) 5.521 17.686 ( -3.001 5.178 -1.690) 6.219 17.686 ( -3.001 5.178 1.690) 6.219 20.921 ( 17.779 -1.253 -1.392) 17.878 20.921 ( 17.779 -1.253 1.392) 17.878 21.238 ( -14.935 -1.049 -1.165) 15.017 21.238 ( -14.935 -1.049 1.165) 15.017 27.326 ( 1.553 -3.061 -0.984) 3.570 27.326 ( 1.553 -3.061 0.984) 3.570 27.358 ( -1.758 -2.810 -0.752) 3.399 27.358 ( -1.758 -2.810 0.752) 3.399 37.830 ( 1.379 6.679 -1.927) 7.087 37.830 ( 1.379 6.679 1.927) 7.087 38.077 ( -0.560 -2.735 -3.151) 4.210 38.077 ( -0.560 -2.735 3.151) 4.210 38.428 ( 19.875 1.650 -1.362) 19.989 38.428 ( 19.875 1.650 1.362) 19.989 38.923 ( -24.331 0.866 -0.618) 24.355 38.923 ( -24.331 0.866 0.618) 24.355 ======================= Grid point 387 (116/120) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 0.000 0.000 0.000) 0.000 2.572 ( 0.000 0.000 0.000) 0.000 2.861 ( 0.000 0.000 0.000) 0.000 2.861 ( 0.000 0.000 0.000) 0.000 3.171 ( 0.000 0.000 -0.000) 0.000 3.171 ( 0.000 0.000 0.000) 0.000 3.549 ( 0.000 0.000 0.000) 0.000 3.549 ( 0.000 0.000 0.000) 0.000 3.809 ( 0.000 0.000 0.000) 0.000 3.809 ( 0.000 0.000 0.000) 0.000 4.749 ( 0.000 0.000 0.000) 0.000 4.749 ( 0.000 0.000 0.000) 0.000 5.230 ( 0.000 -0.000 0.000) 0.000 5.230 ( 0.000 -0.000 0.000) 0.000 5.322 ( 0.000 0.000 0.000) 0.000 5.322 ( 0.000 0.000 0.000) 0.000 6.256 ( 0.000 -0.000 -0.000) 0.000 6.256 ( 0.000 -0.000 0.000) 0.000 6.270 ( 0.000 0.000 -0.000) 0.000 6.270 ( 0.000 0.000 0.000) 0.000 6.606 ( 0.000 0.000 -0.000) 0.000 6.606 ( 0.000 0.000 0.000) 0.000 6.859 ( 0.000 0.000 -0.000) 0.000 6.859 ( 0.000 0.000 0.000) 0.000 7.857 ( 0.000 0.000 0.000) 0.000 7.857 ( 0.000 0.000 0.000) 0.000 8.235 ( 0.000 0.000 -0.000) 0.000 8.235 ( 0.000 0.000 0.000) 0.000 8.278 ( 0.000 0.000 0.000) 0.000 8.278 ( 0.000 0.000 0.000) 0.000 8.797 ( 0.000 0.000 0.000) 0.000 8.797 ( 0.000 0.000 0.000) 0.000 9.798 ( 0.000 0.000 0.000) 0.000 9.798 ( 0.000 0.000 0.000) 0.000 10.198 ( 0.000 0.000 0.000) 0.000 10.198 ( 0.000 0.000 0.000) 0.000 16.643 ( 0.000 0.000 -0.000) 0.000 16.643 ( 0.000 0.000 0.000) 0.000 17.202 ( 0.000 0.000 0.000) 0.000 17.202 ( 0.000 0.000 0.000) 0.000 17.422 ( 0.000 0.000 -0.000) 0.000 17.422 ( 0.000 0.000 0.000) 0.000 17.945 ( 0.000 0.000 0.000) 0.000 17.945 ( 0.000 0.000 0.000) 0.000 19.879 ( 0.000 0.000 0.000) 0.000 19.879 ( 0.000 0.000 0.000) 0.000 21.794 ( 0.000 0.000 0.000) 0.000 21.794 ( 0.000 0.000 0.000) 0.000 27.220 ( 0.000 0.000 0.000) 0.000 27.220 ( 0.000 0.000 0.000) 0.000 27.439 ( 0.000 0.000 0.000) 0.000 27.439 ( 0.000 0.000 0.000) 0.000 37.491 ( 0.000 0.000 0.000) 0.000 37.491 ( 0.000 0.000 0.000) 0.000 37.840 ( 0.000 0.000 0.000) 0.000 37.840 ( 0.000 0.000 0.000) 0.000 38.166 ( 0.000 0.000 -0.000) 0.000 38.166 ( 0.000 0.000 0.000) 0.000 40.365 ( 0.000 0.000 0.000) 0.000 40.365 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 391 (117/120) ======================= q-point: ( 0.11 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( 1.331 0.000 -0.000) 1.331 2.585 ( 1.331 0.000 0.000) 1.331 2.711 ( -11.786 0.000 -0.000) 11.786 2.711 ( -11.786 0.000 0.000) 11.786 3.205 ( 1.633 0.000 -0.000) 1.633 3.205 ( 1.633 0.000 0.000) 1.633 3.694 ( 13.415 -0.000 -0.000) 13.415 3.694 ( 13.415 -0.000 0.000) 13.415 3.793 ( -2.558 0.000 -0.000) 2.558 3.793 ( -2.558 0.000 0.000) 2.558 4.745 ( 0.064 0.000 -0.000) 0.064 4.745 ( 0.064 0.000 0.000) 0.064 5.307 ( 7.466 -0.000 -0.000) 7.466 5.307 ( 7.466 -0.000 0.000) 7.466 5.364 ( 4.407 0.000 -0.000) 4.407 5.364 ( 4.407 0.000 0.000) 4.407 6.226 ( -2.583 -0.000 -0.000) 2.583 6.226 ( -2.583 -0.000 0.000) 2.583 6.281 ( 1.275 0.000 -0.000) 1.275 6.281 ( 1.275 0.000 0.000) 1.275 6.608 ( -0.005 0.000 -0.000) 0.005 6.608 ( -0.005 0.000 0.000) 0.005 6.924 ( 6.344 0.000 -0.000) 6.344 6.924 ( 6.344 0.000 0.000) 6.344 7.823 ( -3.639 0.000 0.000) 3.639 7.823 ( -3.639 0.000 0.000) 3.639 8.219 ( -1.722 0.000 -0.000) 1.722 8.219 ( -1.722 -0.000 0.000) 1.722 8.282 ( 0.518 0.000 -0.000) 0.518 8.282 ( 0.518 0.000 0.000) 0.518 8.764 ( -3.321 0.000 0.000) 3.321 8.764 ( -3.321 0.000 0.000) 3.321 9.786 ( -1.250 0.000 -0.000) 1.250 9.786 ( -1.250 0.000 0.000) 1.250 10.158 ( -4.031 0.000 0.000) 4.031 10.158 ( -4.031 0.000 0.000) 4.031 16.658 ( 1.502 -0.000 -0.000) 1.502 16.658 ( 1.502 -0.000 0.000) 1.502 17.174 ( -2.626 0.000 -0.000) 2.626 17.174 ( -2.626 0.000 0.000) 2.626 17.450 ( 2.644 0.000 -0.000) 2.644 17.450 ( 2.644 0.000 0.000) 2.644 17.924 ( -2.065 -0.000 -0.000) 2.065 17.924 ( -2.065 -0.000 0.000) 2.065 19.972 ( 9.386 0.000 -0.000) 9.386 19.972 ( 9.386 0.000 0.000) 9.386 21.761 ( -3.496 0.000 -0.000) 3.496 21.761 ( -3.496 0.000 0.000) 3.496 27.226 ( 0.569 0.000 0.000) 0.569 27.226 ( 0.569 0.000 0.000) 0.569 27.429 ( -1.028 0.000 0.000) 1.028 27.429 ( -1.028 0.000 0.000) 1.028 37.547 ( 5.783 0.000 0.000) 5.783 37.547 ( 5.783 0.000 0.000) 5.783 37.852 ( 1.273 0.000 0.000) 1.273 37.852 ( 1.273 0.000 0.000) 1.273 38.153 ( -1.344 0.000 0.000) 1.344 38.153 ( -1.344 0.000 0.000) 1.344 40.244 ( -12.358 0.000 0.000) 12.358 40.244 ( -12.358 0.000 0.000) 12.358 ======================= Grid point 395 (118/120) ======================= q-point: ( 0.22 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( -8.818 -0.000 -0.000) 8.818 2.501 ( -8.818 0.000 0.000) 8.818 2.617 ( 1.703 0.000 -0.000) 1.703 2.617 ( 1.703 0.000 0.000) 1.703 3.220 ( 0.181 0.000 -0.000) 0.181 3.220 ( 0.181 0.000 0.000) 0.181 3.679 ( -9.472 -0.000 -0.000) 9.472 3.679 ( -9.472 -0.000 0.000) 9.472 3.997 ( 16.986 0.000 -0.000) 16.986 3.997 ( 16.986 0.000 0.000) 16.986 4.769 ( 2.215 0.000 -0.000) 2.215 4.769 ( 2.215 0.000 0.000) 2.215 5.482 ( 9.668 -0.000 -0.000) 9.668 5.482 ( 9.668 -0.000 0.000) 9.668 5.486 ( 7.867 0.000 -0.000) 7.867 5.486 ( 7.867 0.000 0.000) 7.867 6.184 ( -1.158 0.000 -0.000) 1.158 6.184 ( -1.158 -0.000 0.000) 1.158 6.328 ( 3.801 0.000 0.000) 3.801 6.328 ( 3.801 0.000 0.000) 3.801 6.597 ( -1.168 0.000 0.000) 1.168 6.597 ( -1.168 0.000 0.000) 1.168 7.081 ( 9.392 0.000 -0.000) 9.392 7.081 ( 9.392 0.000 0.000) 9.392 7.715 ( -7.516 0.000 0.000) 7.516 7.715 ( -7.516 0.000 0.000) 7.516 8.166 ( -3.969 -0.000 -0.000) 3.969 8.166 ( -3.969 -0.000 0.000) 3.969 8.302 ( 1.667 0.000 -0.000) 1.667 8.302 ( 1.667 0.000 0.000) 1.667 8.680 ( -5.126 0.000 -0.000) 5.126 8.680 ( -5.126 0.000 0.000) 5.126 9.755 ( -1.829 0.000 -0.000) 1.829 9.755 ( -1.829 0.000 0.000) 1.829 10.052 ( -6.641 0.000 0.000) 6.641 10.052 ( -6.641 0.000 0.000) 6.641 16.700 ( 2.836 -0.000 -0.000) 2.836 16.700 ( 2.836 -0.000 0.000) 2.836 17.110 ( -3.945 0.000 -0.000) 3.945 17.110 ( -3.945 0.000 0.000) 3.945 17.513 ( 3.791 0.000 -0.000) 3.791 17.513 ( 3.791 0.000 0.000) 3.791 17.873 ( -3.135 -0.000 -0.000) 3.135 17.873 ( -3.135 -0.000 0.000) 3.135 20.220 ( 15.833 0.000 -0.000) 15.833 20.220 ( 15.833 -0.000 0.000) 15.833 21.658 ( -7.250 0.000 -0.000) 7.250 21.658 ( -7.250 0.000 0.000) 7.250 27.241 ( 1.052 0.000 0.000) 1.052 27.241 ( 1.052 0.000 0.000) 1.052 27.402 ( -1.705 0.000 0.000) 1.705 27.402 ( -1.705 0.000 0.000) 1.705 37.704 ( 9.908 0.000 -0.000) 9.908 37.704 ( 9.908 0.000 0.000) 9.908 37.897 ( 4.152 0.000 0.000) 4.152 37.897 ( 4.152 0.000 0.000) 4.152 38.116 ( -2.444 0.000 -0.000) 2.444 38.116 ( -2.444 0.000 0.000) 2.444 39.911 ( -21.616 0.000 0.000) 21.616 39.911 ( -21.616 0.000 0.000) 21.616 ======================= Grid point 399 (119/120) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( -1.013 0.000 -0.000) 1.013 2.403 ( -1.013 0.000 0.000) 1.013 2.634 ( -0.434 0.000 -0.000) 0.434 2.634 ( -0.434 0.000 0.000) 0.434 3.217 ( -0.350 0.000 -0.000) 0.350 3.217 ( -0.350 0.000 0.000) 0.350 3.460 ( -11.896 -0.000 -0.000) 11.896 3.460 ( -11.896 -0.000 0.000) 11.896 4.317 ( 15.739 0.000 -0.000) 15.739 4.317 ( 15.739 0.000 0.000) 15.739 4.800 ( 0.128 0.000 -0.000) 0.128 4.800 ( 0.128 0.000 0.000) 0.128 5.635 ( 6.704 -0.000 -0.000) 6.704 5.635 ( 6.704 -0.000 0.000) 6.704 5.642 ( 6.425 0.000 -0.000) 6.425 5.642 ( 6.425 0.000 0.000) 6.425 6.196 ( 2.463 0.000 -0.000) 2.463 6.196 ( 2.463 0.000 0.000) 2.463 6.413 ( 2.674 0.000 -0.000) 2.674 6.413 ( 2.674 0.000 0.000) 2.674 6.594 ( 3.829 0.000 0.000) 3.829 6.594 ( 3.829 0.000 0.000) 3.829 7.239 ( 3.832 0.000 -0.000) 3.832 7.239 ( 3.832 0.000 0.000) 3.832 7.571 ( -4.287 0.000 0.000) 4.287 7.571 ( -4.287 0.000 0.000) 4.287 8.060 ( -7.145 -0.000 -0.000) 7.145 8.060 ( -7.145 -0.000 0.000) 7.145 8.346 ( 2.809 0.000 0.000) 2.809 8.346 ( 2.809 0.000 0.000) 2.809 8.578 ( -5.233 0.000 -0.000) 5.233 8.578 ( -5.233 0.000 0.000) 5.233 9.726 ( -0.835 0.000 -0.000) 0.835 9.726 ( -0.835 0.000 0.000) 0.835 9.918 ( -6.949 0.000 0.000) 6.949 9.918 ( -6.949 0.000 0.000) 6.949 16.765 ( 3.874 -0.000 -0.000) 3.874 16.765 ( 3.874 -0.000 0.000) 3.874 17.027 ( -4.595 0.000 -0.000) 4.595 17.027 ( -4.595 0.000 0.000) 4.595 17.590 ( 4.076 0.000 -0.000) 4.076 17.590 ( 4.076 0.000 0.000) 4.076 17.809 ( -3.475 -0.000 -0.000) 3.475 17.809 ( -3.475 -0.000 0.000) 3.475 20.556 ( 18.467 0.000 -0.000) 18.467 20.556 ( 18.467 -0.000 0.000) 18.467 21.481 ( -11.256 0.000 -0.000) 11.256 21.481 ( -11.256 0.000 0.000) 11.256 27.265 ( 1.416 0.000 0.000) 1.416 27.265 ( 1.416 0.000 0.000) 1.416 27.367 ( -1.942 0.000 0.000) 1.942 27.367 ( -1.942 0.000 0.000) 1.942 37.857 ( 4.958 0.000 0.000) 4.958 37.857 ( 4.958 0.000 0.000) 4.958 38.062 ( -3.139 0.000 -0.000) 3.139 38.062 ( -3.139 0.000 0.000) 3.139 38.079 ( 15.757 -0.000 -0.000) 15.757 38.079 ( 15.757 -0.000 0.000) 15.757 39.444 ( -26.196 0.000 0.000) 26.196 39.444 ( -26.196 0.000 0.000) 26.196 ======================= Grid point 403 (120/120) ======================= q-point: ( 0.44 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 5.789 0.000 -0.000) 5.789 2.456 ( 5.789 0.000 0.000) 5.789 2.579 ( -5.488 0.000 -0.000) 5.488 2.579 ( -5.488 0.000 0.000) 5.488 3.217 ( 0.822 0.000 -0.000) 0.822 3.217 ( 0.822 0.000 0.000) 0.822 3.277 ( -6.223 -0.000 -0.000) 6.223 3.277 ( -6.223 -0.000 0.000) 6.223 4.583 ( 11.608 0.000 0.000) 11.608 4.583 ( 11.608 0.000 0.000) 11.608 4.750 ( -5.609 0.000 0.000) 5.609 4.750 ( -5.609 0.000 0.000) 5.609 5.721 ( 2.129 -0.000 -0.000) 2.129 5.721 ( 2.129 0.000 0.000) 2.129 5.722 ( 1.969 -0.000 -0.000) 1.969 5.722 ( 1.969 0.000 0.000) 1.969 6.271 ( 5.017 -0.000 -0.000) 5.017 6.271 ( 5.017 0.000 0.000) 5.017 6.372 ( -4.929 0.000 0.000) 4.929 6.372 ( -4.929 0.000 0.000) 4.929 6.803 ( 15.408 -0.000 -0.000) 15.408 6.803 ( 15.408 0.000 0.000) 15.408 7.106 ( -14.402 0.000 0.000) 14.402 7.106 ( -14.402 0.000 0.000) 14.402 7.669 ( 11.095 0.000 -0.000) 11.095 7.669 ( 11.095 0.000 0.000) 11.095 7.888 ( -10.685 -0.000 0.000) 10.685 7.888 ( -10.685 -0.000 0.000) 10.685 8.408 ( 3.601 0.000 0.000) 3.601 8.408 ( 3.601 0.000 0.000) 3.601 8.485 ( -4.421 0.000 -0.000) 4.421 8.485 ( -4.421 0.000 0.000) 4.421 9.734 ( 1.859 0.000 -0.000) 1.859 9.734 ( 1.859 0.000 0.000) 1.859 9.800 ( -5.007 0.000 0.000) 5.007 9.800 ( -5.007 0.000 0.000) 5.007 16.846 ( 4.537 0.000 -0.000) 4.537 16.846 ( 4.537 0.000 0.000) 4.537 16.936 ( -4.785 0.000 -0.000) 4.785 16.936 ( -4.785 0.000 0.000) 4.785 17.667 ( 3.928 0.000 -0.000) 3.928 17.667 ( 3.928 0.000 0.000) 3.928 17.740 ( -3.672 -0.000 -0.000) 3.672 17.740 ( -3.672 0.000 0.000) 3.672 20.909 ( 17.854 0.000 0.000) 17.854 20.909 ( 17.854 0.000 0.000) 17.854 21.227 ( -15.077 0.000 -0.000) 15.077 21.227 ( -15.077 0.000 0.000) 15.077 27.295 ( 1.685 0.000 0.000) 1.685 27.295 ( 1.685 0.000 0.000) 1.685 27.329 ( -1.881 0.000 0.000) 1.881 27.329 ( -1.881 0.000 0.000) 1.881 37.932 ( 3.484 0.000 0.000) 3.484 37.932 ( 3.484 0.000 0.000) 3.484 37.998 ( -3.411 0.000 -0.000) 3.411 37.998 ( -3.411 0.000 0.000) 3.411 38.458 ( 22.826 0.000 -0.000) 22.826 38.458 ( 22.826 0.000 0.000) 22.826 38.934 ( -26.260 0.000 0.000) 26.260 38.934 ( -26.260 0.000 0.000) 26.260 =================== 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 3/32400 10.0 4431.261 3878.483 3483.209 0.000 0.000 0.000 3/32400 20.0 553.890 633.824 495.574 0.000 0.000 -0.000 3/32400 30.0 156.661 176.759 140.684 0.000 0.000 -0.000 3/32400 40.0 70.208 77.189 62.922 0.000 0.000 -0.000 3/32400 50.0 40.304 43.742 36.114 0.000 0.000 -0.000 3/32400 60.0 26.868 29.097 24.100 0.000 0.000 -0.000 3/32400 70.0 19.734 21.465 17.726 0.000 0.000 -0.000 3/32400 80.0 15.478 16.965 13.923 0.000 0.000 -0.000 3/32400 90.0 12.711 14.056 11.448 0.000 0.000 -0.000 3/32400 100.0 10.790 12.038 9.728 0.000 0.000 -0.000 3/32400 110.0 9.387 10.559 8.469 0.000 0.000 -0.000 3/32400 120.0 8.320 9.428 7.511 0.000 0.000 -0.000 3/32400 130.0 7.482 8.534 6.757 0.000 0.000 -0.000 3/32400 140.0 6.806 7.807 6.149 0.000 0.000 -0.000 3/32400 150.0 6.251 7.204 5.647 0.000 0.000 -0.000 3/32400 160.0 5.785 6.694 5.227 0.000 0.000 -0.000 3/32400 170.0 5.390 6.257 4.868 0.000 0.000 -0.000 3/32400 180.0 5.051 5.878 4.559 0.000 0.000 -0.000 3/32400 190.0 4.756 5.545 4.289 0.000 0.000 -0.000 3/32400 200.0 4.497 5.251 4.051 0.000 0.000 -0.000 3/32400 210.0 4.268 4.988 3.841 0.000 0.000 -0.000 3/32400 220.0 4.065 4.752 3.652 0.000 0.000 -0.000 3/32400 230.0 3.883 4.539 3.482 0.000 0.000 -0.000 3/32400 240.0 3.719 4.346 3.329 0.000 0.000 -0.000 3/32400 250.0 3.571 4.170 3.189 0.000 0.000 -0.000 3/32400 260.0 3.437 4.008 3.062 0.000 0.000 -0.000 3/32400 270.0 3.314 3.859 2.945 0.000 0.000 -0.000 3/32400 280.0 3.201 3.722 2.837 0.000 0.000 -0.000 3/32400 290.0 3.098 3.595 2.737 0.000 0.000 -0.000 3/32400 300.0 3.003 3.476 2.645 0.000 0.000 -0.000 3/32400 310.0 2.915 3.366 2.559 0.000 0.000 -0.000 3/32400 320.0 2.833 3.263 2.479 0.000 0.000 -0.000 3/32400 330.0 2.757 3.167 2.404 0.000 0.000 -0.000 3/32400 340.0 2.686 3.076 2.334 0.000 0.000 -0.000 3/32400 350.0 2.620 2.991 2.268 0.000 0.000 -0.000 3/32400 360.0 2.558 2.911 2.206 0.000 0.000 -0.000 3/32400 370.0 2.500 2.835 2.147 0.000 0.000 -0.000 3/32400 380.0 2.445 2.764 2.092 0.000 0.000 -0.000 3/32400 390.0 2.394 2.696 2.040 0.000 0.000 -0.000 3/32400 400.0 2.345 2.631 1.990 0.000 0.000 -0.000 3/32400 410.0 2.299 2.570 1.943 0.000 0.000 -0.000 3/32400 420.0 2.256 2.512 1.899 0.000 0.000 -0.000 3/32400 430.0 2.214 2.457 1.856 0.000 0.000 -0.000 3/32400 440.0 2.175 2.404 1.816 0.000 0.000 -0.000 3/32400 450.0 2.138 2.353 1.777 0.000 0.000 -0.000 3/32400 460.0 2.102 2.305 1.741 0.000 0.000 -0.000 3/32400 470.0 2.068 2.259 1.705 0.000 0.000 -0.000 3/32400 480.0 2.035 2.214 1.672 0.000 0.000 -0.000 3/32400 490.0 2.004 2.172 1.639 0.000 0.000 -0.000 3/32400 500.0 1.974 2.131 1.608 0.000 0.000 -0.000 3/32400 510.0 1.946 2.092 1.579 0.000 0.000 -0.000 3/32400 520.0 1.918 2.054 1.550 0.000 0.000 -0.000 3/32400 530.0 1.892 2.018 1.523 0.000 0.000 -0.000 3/32400 540.0 1.866 1.983 1.496 0.000 0.000 -0.000 3/32400 550.0 1.842 1.949 1.471 0.000 0.000 -0.000 3/32400 560.0 1.818 1.917 1.446 0.000 0.000 -0.000 3/32400 570.0 1.795 1.886 1.422 0.000 0.000 -0.000 3/32400 580.0 1.773 1.855 1.400 0.000 0.000 -0.000 3/32400 590.0 1.751 1.826 1.378 0.000 0.000 -0.000 3/32400 600.0 1.731 1.798 1.356 0.000 0.000 -0.000 3/32400 610.0 1.711 1.770 1.336 0.000 0.000 -0.000 3/32400 620.0 1.691 1.744 1.316 0.000 0.000 -0.000 3/32400 630.0 1.672 1.718 1.296 0.000 0.000 -0.000 3/32400 640.0 1.654 1.693 1.277 0.000 0.000 -0.000 3/32400 650.0 1.636 1.669 1.259 0.000 0.000 -0.000 3/32400 660.0 1.619 1.646 1.242 0.000 0.000 -0.000 3/32400 670.0 1.602 1.623 1.225 0.000 0.000 -0.000 3/32400 680.0 1.586 1.601 1.208 0.000 0.000 -0.000 3/32400 690.0 1.570 1.579 1.192 0.000 0.000 -0.000 3/32400 700.0 1.554 1.559 1.176 0.000 0.000 -0.000 3/32400 710.0 1.539 1.538 1.161 0.000 0.000 -0.000 3/32400 720.0 1.525 1.518 1.146 0.000 0.000 -0.000 3/32400 730.0 1.510 1.499 1.132 0.000 0.000 -0.000 3/32400 740.0 1.496 1.481 1.118 0.000 0.000 -0.000 3/32400 750.0 1.482 1.462 1.104 0.000 0.000 -0.000 3/32400 760.0 1.469 1.445 1.091 0.000 0.000 -0.000 3/32400 770.0 1.456 1.427 1.078 0.000 0.000 -0.000 3/32400 780.0 1.443 1.410 1.065 0.000 0.000 -0.000 3/32400 790.0 1.431 1.394 1.053 0.000 0.000 -0.000 3/32400 800.0 1.418 1.378 1.041 0.000 0.000 -0.000 3/32400 810.0 1.406 1.362 1.029 0.000 0.000 -0.000 3/32400 820.0 1.395 1.347 1.017 0.000 0.000 -0.000 3/32400 830.0 1.383 1.332 1.006 0.000 0.000 -0.000 3/32400 840.0 1.372 1.317 0.995 0.000 0.000 -0.000 3/32400 850.0 1.361 1.303 0.985 0.000 0.000 -0.000 3/32400 860.0 1.350 1.289 0.974 0.000 0.000 -0.000 3/32400 870.0 1.339 1.275 0.964 0.000 0.000 -0.000 3/32400 880.0 1.329 1.262 0.954 0.000 0.000 -0.000 3/32400 890.0 1.319 1.249 0.944 0.000 0.000 -0.000 3/32400 900.0 1.309 1.236 0.935 0.000 0.000 -0.000 3/32400 910.0 1.299 1.223 0.925 0.000 0.000 -0.000 3/32400 920.0 1.289 1.211 0.916 0.000 0.000 -0.000 3/32400 930.0 1.280 1.199 0.907 0.000 0.000 -0.000 3/32400 940.0 1.270 1.187 0.898 0.000 0.000 -0.000 3/32400 950.0 1.261 1.176 0.890 0.000 0.000 -0.000 3/32400 960.0 1.252 1.165 0.881 0.000 0.000 -0.000 3/32400 970.0 1.243 1.153 0.873 0.000 0.000 -0.000 3/32400 980.0 1.235 1.143 0.865 0.000 0.000 -0.000 3/32400 990.0 1.226 1.132 0.857 0.000 0.000 -0.000 3/32400 1000.0 1.218 1.122 0.849 0.000 0.000 -0.000 3/32400 Thermal conductivity related properties were written into "kappa-m9106.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:49:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|