----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:04:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmmm (65) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.989170265000000 -4.231042525000000 0.000000000000000 b 2.989170265000000 4.231042525000000 0.000000000000000 c 0.000000000000000 0.000000000000000 2.996001460000000 Atomic positions (fractional): *1 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 *2 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 3 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 *4 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 *5 O 0.25271824627333 0.74728175372667 0.00000000000000 15.999 *6 O 0.74538729329749 0.74538729329749 0.50000000000000 15.999 7 O 0.25461270670251 0.25461270670251 0.50000000000000 15.999 8 O 0.74728175372667 0.25271824627333 0.00000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.978340530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.462085050000001 0.000000000000000 c 0.000000000000000 0.000000000000000 2.996001460000000 Atomic positions (fractional): *1 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 1 *2 Mg 0.75000000000000 0.75000000000000 0.50000000000000 24.305 > 2 3 Mg 0.75000000000000 0.25000000000000 0.50000000000000 24.305 > 3 4 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 1 5 Mg 0.25000000000000 0.25000000000000 0.50000000000000 24.305 > 2 6 Mg 0.25000000000000 0.75000000000000 0.50000000000000 24.305 > 3 *7 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 > 4 8 Zn 0.50000000000000 0.50000000000000 0.00000000000000 65.380 > 4 *9 O 0.50000000000000 0.24728175372667 0.00000000000000 15.999 > 5 *10 O 0.74538729329749 0.00000000000000 0.50000000000000 15.999 > 6 11 O 0.25461270670251 0.00000000000000 0.50000000000000 15.999 > 7 12 O 0.50000000000000 0.75271824627333 0.00000000000000 15.999 > 8 13 O 0.00000000000000 0.74728175372667 0.00000000000000 15.999 > 5 14 O 0.24538729329750 0.50000000000000 0.50000000000000 15.999 > 6 15 O 0.75461270670251 0.50000000000000 0.50000000000000 15.999 > 7 16 O 0.00000000000000 0.25271824627333 0.00000000000000 15.999 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.956681059999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.462085050000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.988004380000000 Atomic positions (fractional): *1 Mg 0.25000000000000 0.00000000000000 0.00000000000000 24.305 > 1 2 Mg 0.75000000000000 0.00000000000000 0.00000000000000 24.305 > 1 3 Mg 0.25000000000000 0.00000000000000 0.33333333333333 24.305 > 1 4 Mg 0.75000000000000 0.00000000000000 0.33333333333333 24.305 > 1 5 Mg 0.25000000000000 0.00000000000000 0.66666666666667 24.305 > 1 6 Mg 0.75000000000000 0.00000000000000 0.66666666666667 24.305 > 1 *7 Mg 0.37500000000000 0.75000000000000 0.16666666666667 24.305 > 2 8 Mg 0.87500000000000 0.75000000000000 0.16666666666667 24.305 > 2 9 Mg 0.37500000000000 0.75000000000000 0.50000000000000 24.305 > 2 10 Mg 0.87500000000000 0.75000000000000 0.50000000000000 24.305 > 2 11 Mg 0.37500000000000 0.75000000000000 0.83333333333333 24.305 > 2 12 Mg 0.87500000000000 0.75000000000000 0.83333333333333 24.305 > 2 13 Mg 0.37500000000000 0.25000000000000 0.16666666666667 24.305 > 3 14 Mg 0.87500000000000 0.25000000000000 0.16666666666667 24.305 > 3 15 Mg 0.37500000000000 0.25000000000000 0.50000000000000 24.305 > 3 16 Mg 0.87500000000000 0.25000000000000 0.50000000000000 24.305 > 3 17 Mg 0.37500000000000 0.25000000000000 0.83333333333333 24.305 > 3 18 Mg 0.87500000000000 0.25000000000000 0.83333333333333 24.305 > 3 19 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 1 20 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 1 21 Mg 0.00000000000000 0.50000000000000 0.33333333333333 24.305 > 1 22 Mg 0.50000000000000 0.50000000000000 0.33333333333333 24.305 > 1 23 Mg 0.00000000000000 0.50000000000000 0.66666666666667 24.305 > 1 24 Mg 0.50000000000000 0.50000000000000 0.66666666666667 24.305 > 1 25 Mg 0.12500000000000 0.25000000000000 0.16666666666667 24.305 > 2 26 Mg 0.62500000000000 0.25000000000000 0.16666666666667 24.305 > 2 27 Mg 0.12500000000000 0.25000000000000 0.50000000000000 24.305 > 2 28 Mg 0.62500000000000 0.25000000000000 0.50000000000000 24.305 > 2 29 Mg 0.12500000000000 0.25000000000000 0.83333333333333 24.305 > 2 30 Mg 0.62500000000000 0.25000000000000 0.83333333333333 24.305 > 2 31 Mg 0.12500000000000 0.75000000000000 0.16666666666667 24.305 > 3 32 Mg 0.62500000000000 0.75000000000000 0.16666666666667 24.305 > 3 33 Mg 0.12500000000000 0.75000000000000 0.50000000000000 24.305 > 3 34 Mg 0.62500000000000 0.75000000000000 0.50000000000000 24.305 > 3 35 Mg 0.12500000000000 0.75000000000000 0.83333333333333 24.305 > 3 36 Mg 0.62500000000000 0.75000000000000 0.83333333333333 24.305 > 3 *37 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 > 4 38 Zn 0.50000000000000 0.00000000000000 0.00000000000000 65.380 > 4 39 Zn 0.00000000000000 0.00000000000000 0.33333333333333 65.380 > 4 40 Zn 0.50000000000000 0.00000000000000 0.33333333333333 65.380 > 4 41 Zn 0.00000000000000 0.00000000000000 0.66666666666667 65.380 > 4 42 Zn 0.50000000000000 0.00000000000000 0.66666666666667 65.380 > 4 43 Zn 0.25000000000000 0.50000000000000 0.00000000000000 65.380 > 4 44 Zn 0.75000000000000 0.50000000000000 0.00000000000000 65.380 > 4 45 Zn 0.25000000000000 0.50000000000000 0.33333333333333 65.380 > 4 46 Zn 0.75000000000000 0.50000000000000 0.33333333333333 65.380 > 4 47 Zn 0.25000000000000 0.50000000000000 0.66666666666667 65.380 > 4 48 Zn 0.75000000000000 0.50000000000000 0.66666666666667 65.380 > 4 *49 O 0.25000000000000 0.24728175372667 0.00000000000000 15.999 > 5 50 O 0.75000000000000 0.24728175372667 0.00000000000000 15.999 > 5 51 O 0.25000000000000 0.24728175372667 0.33333333333333 15.999 > 5 52 O 0.75000000000000 0.24728175372667 0.33333333333333 15.999 > 5 53 O 0.25000000000000 0.24728175372667 0.66666666666667 15.999 > 5 54 O 0.75000000000000 0.24728175372667 0.66666666666667 15.999 > 5 *55 O 0.37269364664875 0.00000000000000 0.16666666666667 15.999 > 6 56 O 0.87269364664875 0.00000000000000 0.16666666666667 15.999 > 6 57 O 0.37269364664875 0.00000000000000 0.50000000000000 15.999 > 6 58 O 0.87269364664875 0.00000000000000 0.50000000000000 15.999 > 6 59 O 0.37269364664875 0.00000000000000 0.83333333333333 15.999 > 6 60 O 0.87269364664875 0.00000000000000 0.83333333333333 15.999 > 6 61 O 0.12730635335125 0.00000000000000 0.16666666666667 15.999 > 7 62 O 0.62730635335125 0.00000000000000 0.16666666666667 15.999 > 7 63 O 0.12730635335125 0.00000000000000 0.50000000000000 15.999 > 7 64 O 0.62730635335125 0.00000000000000 0.50000000000000 15.999 > 7 65 O 0.12730635335125 0.00000000000000 0.83333333333333 15.999 > 7 66 O 0.62730635335125 0.00000000000000 0.83333333333333 15.999 > 7 67 O 0.25000000000000 0.75271824627333 0.00000000000000 15.999 > 8 68 O 0.75000000000000 0.75271824627333 0.00000000000000 15.999 > 8 69 O 0.25000000000000 0.75271824627333 0.33333333333333 15.999 > 8 70 O 0.75000000000000 0.75271824627333 0.33333333333333 15.999 > 8 71 O 0.25000000000000 0.75271824627333 0.66666666666667 15.999 > 8 72 O 0.75000000000000 0.75271824627333 0.66666666666667 15.999 > 8 73 O 0.00000000000000 0.74728175372667 0.00000000000000 15.999 > 5 74 O 0.50000000000000 0.74728175372667 0.00000000000000 15.999 > 5 75 O 0.00000000000000 0.74728175372667 0.33333333333333 15.999 > 5 76 O 0.50000000000000 0.74728175372667 0.33333333333333 15.999 > 5 77 O 0.00000000000000 0.74728175372667 0.66666666666667 15.999 > 5 78 O 0.50000000000000 0.74728175372667 0.66666666666667 15.999 > 5 79 O 0.12269364664875 0.50000000000000 0.16666666666667 15.999 > 6 80 O 0.62269364664875 0.50000000000000 0.16666666666667 15.999 > 6 81 O 0.12269364664875 0.50000000000000 0.50000000000000 15.999 > 6 82 O 0.62269364664875 0.50000000000000 0.50000000000000 15.999 > 6 83 O 0.12269364664875 0.50000000000000 0.83333333333333 15.999 > 6 84 O 0.62269364664875 0.50000000000000 0.83333333333333 15.999 > 6 85 O 0.37730635335125 0.50000000000000 0.16666666666667 15.999 > 7 86 O 0.87730635335125 0.50000000000000 0.16666666666667 15.999 > 7 87 O 0.37730635335125 0.50000000000000 0.50000000000000 15.999 > 7 88 O 0.87730635335125 0.50000000000000 0.50000000000000 15.999 > 7 89 O 0.37730635335125 0.50000000000000 0.83333333333333 15.999 > 7 90 O 0.87730635335125 0.50000000000000 0.83333333333333 15.999 > 7 91 O 0.00000000000000 0.25271824627333 0.00000000000000 15.999 > 8 92 O 0.50000000000000 0.25271824627333 0.00000000000000 15.999 > 8 93 O 0.00000000000000 0.25271824627333 0.33333333333333 15.999 > 8 94 O 0.50000000000000 0.25271824627333 0.33333333333333 15.999 > 8 95 O 0.00000000000000 0.25271824627333 0.66666666666667 15.999 > 8 96 O 0.50000000000000 0.25271824627333 0.66666666666667 15.999 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6451865 0.0000000 0.0000000 0.0000000 3.6508606 0.0000000 0.0000000 0.0000000 3.6723805 -------------------------- Born effective charges -------------------------- 1 Mg 2.2189301 0.0000000 0.0000000 0.0000000 2.1049583 0.0000000 0.0000000 0.0000000 1.9989173 2 Mg 1.9937411 0.1576120 0.0000000 0.1686064 2.0041229 0.0000000 0.0000000 0.0000000 1.9979795 3 Mg 1.9937411 -0.1576120 0.0000000 -0.1686064 2.0041229 0.0000000 0.0000000 0.0000000 1.9979795 4 Zn 2.0665256 0.0000000 0.0000000 0.0000000 2.1853318 0.0000000 0.0000000 0.0000000 2.3285702 5 O -1.9488976 0.0000000 0.0000000 0.0000000 -2.2117618 0.0000000 0.0000000 0.0000000 -1.9501951 6 O -2.1875714 0.0000000 0.0000000 0.0000000 -1.9375061 0.0000000 0.0000000 0.0000000 -2.2115281 7 O -2.1875714 0.0000000 0.0000000 0.0000000 -1.9375061 0.0000000 0.0000000 0.0000000 -2.2115281 8 O -1.9488976 0.0000000 0.0000000 0.0000000 -2.2117618 0.0000000 0.0000000 0.0000000 -1.9501951 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 4326/4326 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 556 Number of blocks in projector: 564 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 8 --- Eigsh_solver_block: 1 / 8 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 2 / 8 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 3 / 8 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 4 / 8 --- Block_size: 88 Use standard eigh solver. --- Eigsh_solver_block: 5 / 8 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 6 / 8 --- Block_size: 52 Use standard eigh solver. --- Eigsh_solver_block: 7 / 8 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 8 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (556, 539), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (52, 52), data: True |-- (66, 66), data: True |-- (88, 86), data: True |-- (116, 111), data: True |-- (116, 111), data: True |-- (116, 111), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 160 - Time: 0.382 Solver_block: 160 / 160 - Time: 0.268 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.663 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 4326/4326 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 556 Number of blocks in projector: 564 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 8 --- Eigsh_solver_block: 1 / 8 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 2 / 8 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 3 / 8 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 4 / 8 --- Block_size: 88 Use standard eigh solver. --- Eigsh_solver_block: 5 / 8 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 6 / 8 --- Block_size: 52 Use standard eigh solver. --- Eigsh_solver_block: 7 / 8 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 8 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (556, 539), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (52, 52), data: True |-- (66, 66), data: True |-- (88, 86), data: True |-- (116, 111), data: True |-- (116, 111), data: True |-- (116, 111), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:04:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:04:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmmm (65) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.989170265000000 -4.231042525000000 0.000000000000000 b 2.989170265000000 4.231042525000000 0.000000000000000 c 0.000000000000000 0.000000000000000 2.996001460000000 Atomic positions (fractional): 1 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 2 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 3 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 4 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 5 O 0.25271824627333 0.74728175372667 0.00000000000000 15.999 6 O 0.74538729329749 0.74538729329749 0.50000000000000 15.999 7 O 0.25461270670251 0.25461270670251 0.50000000000000 15.999 8 O 0.74728175372667 0.25271824627333 0.00000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.956681059999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.462085050000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.988004380000000 Atomic positions (fractional): 1 Mg 0.25000000000000 0.00000000000000 0.00000000000000 24.305 > 1 2 Mg 0.75000000000000 0.00000000000000 0.00000000000000 24.305 > 1 3 Mg 0.25000000000000 0.00000000000000 0.33333333333333 24.305 > 1 4 Mg 0.75000000000000 0.00000000000000 0.33333333333333 24.305 > 1 5 Mg 0.25000000000000 0.00000000000000 0.66666666666667 24.305 > 1 6 Mg 0.75000000000000 0.00000000000000 0.66666666666667 24.305 > 1 7 Mg 0.37500000000000 0.75000000000000 0.16666666666667 24.305 > 7 8 Mg 0.87500000000000 0.75000000000000 0.16666666666667 24.305 > 7 9 Mg 0.37500000000000 0.75000000000000 0.50000000000000 24.305 > 7 10 Mg 0.87500000000000 0.75000000000000 0.50000000000000 24.305 > 7 11 Mg 0.37500000000000 0.75000000000000 0.83333333333333 24.305 > 7 12 Mg 0.87500000000000 0.75000000000000 0.83333333333333 24.305 > 7 13 Mg 0.37500000000000 0.25000000000000 0.16666666666667 24.305 > 13 14 Mg 0.87500000000000 0.25000000000000 0.16666666666667 24.305 > 13 15 Mg 0.37500000000000 0.25000000000000 0.50000000000000 24.305 > 13 16 Mg 0.87500000000000 0.25000000000000 0.50000000000000 24.305 > 13 17 Mg 0.37500000000000 0.25000000000000 0.83333333333333 24.305 > 13 18 Mg 0.87500000000000 0.25000000000000 0.83333333333333 24.305 > 13 19 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 1 20 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 1 21 Mg 0.00000000000000 0.50000000000000 0.33333333333333 24.305 > 1 22 Mg 0.50000000000000 0.50000000000000 0.33333333333333 24.305 > 1 23 Mg 0.00000000000000 0.50000000000000 0.66666666666667 24.305 > 1 24 Mg 0.50000000000000 0.50000000000000 0.66666666666667 24.305 > 1 25 Mg 0.12500000000000 0.25000000000000 0.16666666666667 24.305 > 7 26 Mg 0.62500000000000 0.25000000000000 0.16666666666667 24.305 > 7 27 Mg 0.12500000000000 0.25000000000000 0.50000000000000 24.305 > 7 28 Mg 0.62500000000000 0.25000000000000 0.50000000000000 24.305 > 7 29 Mg 0.12500000000000 0.25000000000000 0.83333333333333 24.305 > 7 30 Mg 0.62500000000000 0.25000000000000 0.83333333333333 24.305 > 7 31 Mg 0.12500000000000 0.75000000000000 0.16666666666667 24.305 > 13 32 Mg 0.62500000000000 0.75000000000000 0.16666666666667 24.305 > 13 33 Mg 0.12500000000000 0.75000000000000 0.50000000000000 24.305 > 13 34 Mg 0.62500000000000 0.75000000000000 0.50000000000000 24.305 > 13 35 Mg 0.12500000000000 0.75000000000000 0.83333333333333 24.305 > 13 36 Mg 0.62500000000000 0.75000000000000 0.83333333333333 24.305 > 13 37 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 > 37 38 Zn 0.50000000000000 0.00000000000000 0.00000000000000 65.380 > 37 39 Zn 0.00000000000000 0.00000000000000 0.33333333333333 65.380 > 37 40 Zn 0.50000000000000 0.00000000000000 0.33333333333333 65.380 > 37 41 Zn 0.00000000000000 0.00000000000000 0.66666666666667 65.380 > 37 42 Zn 0.50000000000000 0.00000000000000 0.66666666666667 65.380 > 37 43 Zn 0.25000000000000 0.50000000000000 0.00000000000000 65.380 > 37 44 Zn 0.75000000000000 0.50000000000000 0.00000000000000 65.380 > 37 45 Zn 0.25000000000000 0.50000000000000 0.33333333333333 65.380 > 37 46 Zn 0.75000000000000 0.50000000000000 0.33333333333333 65.380 > 37 47 Zn 0.25000000000000 0.50000000000000 0.66666666666667 65.380 > 37 48 Zn 0.75000000000000 0.50000000000000 0.66666666666667 65.380 > 37 49 O 0.25000000000000 0.24728175372667 0.00000000000000 15.999 > 49 50 O 0.75000000000000 0.24728175372667 0.00000000000000 15.999 > 49 51 O 0.25000000000000 0.24728175372667 0.33333333333333 15.999 > 49 52 O 0.75000000000000 0.24728175372667 0.33333333333333 15.999 > 49 53 O 0.25000000000000 0.24728175372667 0.66666666666667 15.999 > 49 54 O 0.75000000000000 0.24728175372667 0.66666666666667 15.999 > 49 55 O 0.37269364664875 0.00000000000000 0.16666666666667 15.999 > 55 56 O 0.87269364664875 0.00000000000000 0.16666666666667 15.999 > 55 57 O 0.37269364664875 0.00000000000000 0.50000000000000 15.999 > 55 58 O 0.87269364664875 0.00000000000000 0.50000000000000 15.999 > 55 59 O 0.37269364664875 0.00000000000000 0.83333333333333 15.999 > 55 60 O 0.87269364664875 0.00000000000000 0.83333333333333 15.999 > 55 61 O 0.12730635335125 0.00000000000000 0.16666666666667 15.999 > 61 62 O 0.62730635335125 0.00000000000000 0.16666666666667 15.999 > 61 63 O 0.12730635335125 0.00000000000000 0.50000000000000 15.999 > 61 64 O 0.62730635335125 0.00000000000000 0.50000000000000 15.999 > 61 65 O 0.12730635335125 0.00000000000000 0.83333333333333 15.999 > 61 66 O 0.62730635335125 0.00000000000000 0.83333333333333 15.999 > 61 67 O 0.25000000000000 0.75271824627333 0.00000000000000 15.999 > 67 68 O 0.75000000000000 0.75271824627333 0.00000000000000 15.999 > 67 69 O 0.25000000000000 0.75271824627333 0.33333333333333 15.999 > 67 70 O 0.75000000000000 0.75271824627333 0.33333333333333 15.999 > 67 71 O 0.25000000000000 0.75271824627333 0.66666666666667 15.999 > 67 72 O 0.75000000000000 0.75271824627333 0.66666666666667 15.999 > 67 73 O 0.00000000000000 0.74728175372667 0.00000000000000 15.999 > 49 74 O 0.50000000000000 0.74728175372667 0.00000000000000 15.999 > 49 75 O 0.00000000000000 0.74728175372667 0.33333333333333 15.999 > 49 76 O 0.50000000000000 0.74728175372667 0.33333333333333 15.999 > 49 77 O 0.00000000000000 0.74728175372667 0.66666666666667 15.999 > 49 78 O 0.50000000000000 0.74728175372667 0.66666666666667 15.999 > 49 79 O 0.12269364664875 0.50000000000000 0.16666666666667 15.999 > 55 80 O 0.62269364664875 0.50000000000000 0.16666666666667 15.999 > 55 81 O 0.12269364664875 0.50000000000000 0.50000000000000 15.999 > 55 82 O 0.62269364664875 0.50000000000000 0.50000000000000 15.999 > 55 83 O 0.12269364664875 0.50000000000000 0.83333333333333 15.999 > 55 84 O 0.62269364664875 0.50000000000000 0.83333333333333 15.999 > 55 85 O 0.37730635335125 0.50000000000000 0.16666666666667 15.999 > 61 86 O 0.87730635335125 0.50000000000000 0.16666666666667 15.999 > 61 87 O 0.37730635335125 0.50000000000000 0.50000000000000 15.999 > 61 88 O 0.87730635335125 0.50000000000000 0.50000000000000 15.999 > 61 89 O 0.37730635335125 0.50000000000000 0.83333333333333 15.999 > 61 90 O 0.87730635335125 0.50000000000000 0.83333333333333 15.999 > 61 91 O 0.00000000000000 0.25271824627333 0.00000000000000 15.999 > 67 92 O 0.50000000000000 0.25271824627333 0.00000000000000 15.999 > 67 93 O 0.00000000000000 0.25271824627333 0.33333333333333 15.999 > 67 94 O 0.50000000000000 0.25271824627333 0.33333333333333 15.999 > 67 95 O 0.00000000000000 0.25271824627333 0.66666666666667 15.999 > 67 96 O 0.50000000000000 0.25271824627333 0.66666666666667 15.999 > 67 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6451865 0.0000000 0.0000000 0.0000000 3.6508606 0.0000000 0.0000000 0.0000000 3.6723805 -------------------------- Born effective charges -------------------------- 1 Mg 2.2189301 0.0000000 0.0000000 0.0000000 2.1049583 0.0000000 0.0000000 0.0000000 1.9989173 2 Mg 1.9937411 0.1576120 0.0000000 0.1686064 2.0041229 0.0000000 0.0000000 0.0000000 1.9979795 3 Mg 1.9937411 -0.1576120 0.0000000 -0.1686064 2.0041229 0.0000000 0.0000000 0.0000000 1.9979795 4 Zn 2.0665256 0.0000000 0.0000000 0.0000000 2.1853318 0.0000000 0.0000000 0.0000000 2.3285702 5 O -1.9488976 0.0000000 0.0000000 0.0000000 -2.2117618 0.0000000 0.0000000 0.0000000 -1.9501951 6 O -2.1875714 0.0000000 0.0000000 0.0000000 -1.9375061 0.0000000 0.0000000 0.0000000 -2.2115281 7 O -2.1875714 0.0000000 0.0000000 0.0000000 -1.9375061 0.0000000 0.0000000 0.0000000 -2.2115281 8 O -1.9488976 0.0000000 0.0000000 0.0000000 -2.2117618 0.0000000 0.0000000 0.0000000 -1.9501951 ---------------------------------------------------------------------------- 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[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, 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[ 55, 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: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:04:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:04:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmmm (65) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.989170265000000 -4.231042525000000 0.000000000000000 b 2.989170265000000 4.231042525000000 0.000000000000000 c 0.000000000000000 0.000000000000000 2.996001460000000 Atomic positions (fractional): 1 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 2 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 3 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 4 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 5 O 0.25271824627333 0.74728175372667 0.00000000000000 15.999 6 O 0.74538729329749 0.74538729329749 0.50000000000000 15.999 7 O 0.25461270670251 0.25461270670251 0.50000000000000 15.999 8 O 0.74728175372667 0.25271824627333 0.00000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.956681059999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.462085050000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.988004380000000 Atomic positions (fractional): 1 Mg 0.25000000000000 0.00000000000000 0.00000000000000 24.305 > 1 2 Mg 0.75000000000000 0.00000000000000 0.00000000000000 24.305 > 1 3 Mg 0.25000000000000 0.00000000000000 0.33333333333333 24.305 > 1 4 Mg 0.75000000000000 0.00000000000000 0.33333333333333 24.305 > 1 5 Mg 0.25000000000000 0.00000000000000 0.66666666666667 24.305 > 1 6 Mg 0.75000000000000 0.00000000000000 0.66666666666667 24.305 > 1 7 Mg 0.37500000000000 0.75000000000000 0.16666666666667 24.305 > 7 8 Mg 0.87500000000000 0.75000000000000 0.16666666666667 24.305 > 7 9 Mg 0.37500000000000 0.75000000000000 0.50000000000000 24.305 > 7 10 Mg 0.87500000000000 0.75000000000000 0.50000000000000 24.305 > 7 11 Mg 0.37500000000000 0.75000000000000 0.83333333333333 24.305 > 7 12 Mg 0.87500000000000 0.75000000000000 0.83333333333333 24.305 > 7 13 Mg 0.37500000000000 0.25000000000000 0.16666666666667 24.305 > 13 14 Mg 0.87500000000000 0.25000000000000 0.16666666666667 24.305 > 13 15 Mg 0.37500000000000 0.25000000000000 0.50000000000000 24.305 > 13 16 Mg 0.87500000000000 0.25000000000000 0.50000000000000 24.305 > 13 17 Mg 0.37500000000000 0.25000000000000 0.83333333333333 24.305 > 13 18 Mg 0.87500000000000 0.25000000000000 0.83333333333333 24.305 > 13 19 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 1 20 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 1 21 Mg 0.00000000000000 0.50000000000000 0.33333333333333 24.305 > 1 22 Mg 0.50000000000000 0.50000000000000 0.33333333333333 24.305 > 1 23 Mg 0.00000000000000 0.50000000000000 0.66666666666667 24.305 > 1 24 Mg 0.50000000000000 0.50000000000000 0.66666666666667 24.305 > 1 25 Mg 0.12500000000000 0.25000000000000 0.16666666666667 24.305 > 7 26 Mg 0.62500000000000 0.25000000000000 0.16666666666667 24.305 > 7 27 Mg 0.12500000000000 0.25000000000000 0.50000000000000 24.305 > 7 28 Mg 0.62500000000000 0.25000000000000 0.50000000000000 24.305 > 7 29 Mg 0.12500000000000 0.25000000000000 0.83333333333333 24.305 > 7 30 Mg 0.62500000000000 0.25000000000000 0.83333333333333 24.305 > 7 31 Mg 0.12500000000000 0.75000000000000 0.16666666666667 24.305 > 13 32 Mg 0.62500000000000 0.75000000000000 0.16666666666667 24.305 > 13 33 Mg 0.12500000000000 0.75000000000000 0.50000000000000 24.305 > 13 34 Mg 0.62500000000000 0.75000000000000 0.50000000000000 24.305 > 13 35 Mg 0.12500000000000 0.75000000000000 0.83333333333333 24.305 > 13 36 Mg 0.62500000000000 0.75000000000000 0.83333333333333 24.305 > 13 37 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 > 37 38 Zn 0.50000000000000 0.00000000000000 0.00000000000000 65.380 > 37 39 Zn 0.00000000000000 0.00000000000000 0.33333333333333 65.380 > 37 40 Zn 0.50000000000000 0.00000000000000 0.33333333333333 65.380 > 37 41 Zn 0.00000000000000 0.00000000000000 0.66666666666667 65.380 > 37 42 Zn 0.50000000000000 0.00000000000000 0.66666666666667 65.380 > 37 43 Zn 0.25000000000000 0.50000000000000 0.00000000000000 65.380 > 37 44 Zn 0.75000000000000 0.50000000000000 0.00000000000000 65.380 > 37 45 Zn 0.25000000000000 0.50000000000000 0.33333333333333 65.380 > 37 46 Zn 0.75000000000000 0.50000000000000 0.33333333333333 65.380 > 37 47 Zn 0.25000000000000 0.50000000000000 0.66666666666667 65.380 > 37 48 Zn 0.75000000000000 0.50000000000000 0.66666666666667 65.380 > 37 49 O 0.25000000000000 0.24728175372667 0.00000000000000 15.999 > 49 50 O 0.75000000000000 0.24728175372667 0.00000000000000 15.999 > 49 51 O 0.25000000000000 0.24728175372667 0.33333333333333 15.999 > 49 52 O 0.75000000000000 0.24728175372667 0.33333333333333 15.999 > 49 53 O 0.25000000000000 0.24728175372667 0.66666666666667 15.999 > 49 54 O 0.75000000000000 0.24728175372667 0.66666666666667 15.999 > 49 55 O 0.37269364664875 0.00000000000000 0.16666666666667 15.999 > 55 56 O 0.87269364664875 0.00000000000000 0.16666666666667 15.999 > 55 57 O 0.37269364664875 0.00000000000000 0.50000000000000 15.999 > 55 58 O 0.87269364664875 0.00000000000000 0.50000000000000 15.999 > 55 59 O 0.37269364664875 0.00000000000000 0.83333333333333 15.999 > 55 60 O 0.87269364664875 0.00000000000000 0.83333333333333 15.999 > 55 61 O 0.12730635335125 0.00000000000000 0.16666666666667 15.999 > 61 62 O 0.62730635335125 0.00000000000000 0.16666666666667 15.999 > 61 63 O 0.12730635335125 0.00000000000000 0.50000000000000 15.999 > 61 64 O 0.62730635335125 0.00000000000000 0.50000000000000 15.999 > 61 65 O 0.12730635335125 0.00000000000000 0.83333333333333 15.999 > 61 66 O 0.62730635335125 0.00000000000000 0.83333333333333 15.999 > 61 67 O 0.25000000000000 0.75271824627333 0.00000000000000 15.999 > 67 68 O 0.75000000000000 0.75271824627333 0.00000000000000 15.999 > 67 69 O 0.25000000000000 0.75271824627333 0.33333333333333 15.999 > 67 70 O 0.75000000000000 0.75271824627333 0.33333333333333 15.999 > 67 71 O 0.25000000000000 0.75271824627333 0.66666666666667 15.999 > 67 72 O 0.75000000000000 0.75271824627333 0.66666666666667 15.999 > 67 73 O 0.00000000000000 0.74728175372667 0.00000000000000 15.999 > 49 74 O 0.50000000000000 0.74728175372667 0.00000000000000 15.999 > 49 75 O 0.00000000000000 0.74728175372667 0.33333333333333 15.999 > 49 76 O 0.50000000000000 0.74728175372667 0.33333333333333 15.999 > 49 77 O 0.00000000000000 0.74728175372667 0.66666666666667 15.999 > 49 78 O 0.50000000000000 0.74728175372667 0.66666666666667 15.999 > 49 79 O 0.12269364664875 0.50000000000000 0.16666666666667 15.999 > 55 80 O 0.62269364664875 0.50000000000000 0.16666666666667 15.999 > 55 81 O 0.12269364664875 0.50000000000000 0.50000000000000 15.999 > 55 82 O 0.62269364664875 0.50000000000000 0.50000000000000 15.999 > 55 83 O 0.12269364664875 0.50000000000000 0.83333333333333 15.999 > 55 84 O 0.62269364664875 0.50000000000000 0.83333333333333 15.999 > 55 85 O 0.37730635335125 0.50000000000000 0.16666666666667 15.999 > 61 86 O 0.87730635335125 0.50000000000000 0.16666666666667 15.999 > 61 87 O 0.37730635335125 0.50000000000000 0.50000000000000 15.999 > 61 88 O 0.87730635335125 0.50000000000000 0.50000000000000 15.999 > 61 89 O 0.37730635335125 0.50000000000000 0.83333333333333 15.999 > 61 90 O 0.87730635335125 0.50000000000000 0.83333333333333 15.999 > 61 91 O 0.00000000000000 0.25271824627333 0.00000000000000 15.999 > 67 92 O 0.50000000000000 0.25271824627333 0.00000000000000 15.999 > 67 93 O 0.00000000000000 0.25271824627333 0.33333333333333 15.999 > 67 94 O 0.50000000000000 0.25271824627333 0.33333333333333 15.999 > 67 95 O 0.00000000000000 0.25271824627333 0.66666666666667 15.999 > 67 96 O 0.50000000000000 0.25271824627333 0.66666666666667 15.999 > 67 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6451865 0.0000000 0.0000000 0.0000000 3.6508606 0.0000000 0.0000000 0.0000000 3.6723805 -------------------------- Born effective charges -------------------------- 1 Mg 2.2189301 0.0000000 0.0000000 0.0000000 2.1049583 0.0000000 0.0000000 0.0000000 1.9989173 2 Mg 1.9937411 0.1576120 0.0000000 0.1686064 2.0041229 0.0000000 0.0000000 0.0000000 1.9979795 3 Mg 1.9937411 -0.1576120 0.0000000 -0.1686064 2.0041229 0.0000000 0.0000000 0.0000000 1.9979795 4 Zn 2.0665256 0.0000000 0.0000000 0.0000000 2.1853318 0.0000000 0.0000000 0.0000000 2.3285702 5 O -1.9488976 0.0000000 0.0000000 0.0000000 -2.2117618 0.0000000 0.0000000 0.0000000 -1.9501951 6 O -2.1875714 0.0000000 0.0000000 0.0000000 -1.9375061 0.0000000 0.0000000 0.0000000 -2.2115281 7 O -2.1875714 0.0000000 0.0000000 0.0000000 -1.9375061 0.0000000 0.0000000 0.0000000 -2.2115281 8 O -1.9488976 0.0000000 0.0000000 0.0000000 -2.2117618 0.0000000 0.0000000 0.0000000 -1.9501951 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 17 ] 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: 0.98, Number of G-points: 297, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/279) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 279 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 4.630 ( 0.000 0.000 0.000) 0.000 5.622 ( 0.000 0.000 0.000) 0.000 5.933 ( 0.000 0.000 0.000) 0.000 7.602 ( 0.000 0.000 0.000) 0.000 7.881 ( 0.000 0.000 0.000) 0.000 8.163 ( 0.000 0.000 0.000) 0.000 9.401 ( 0.000 0.000 0.000) 0.000 9.424 ( 0.000 0.000 0.000) 0.000 10.191 ( 0.000 0.000 0.000) 0.000 10.230 ( 0.000 0.000 0.000) 0.000 10.611 ( 0.000 0.000 0.000) 0.000 10.843 ( 0.000 0.000 0.000) 0.000 11.098 ( 0.000 0.000 0.000) 0.000 11.531 ( 0.000 0.000 0.000) 0.000 12.633 ( 0.000 0.000 0.000) 0.000 12.745 ( 0.000 0.000 0.000) 0.000 14.081 ( 0.000 0.000 0.000) 0.000 15.133 ( 0.000 0.000 0.000) 0.000 15.596 ( 0.000 0.000 0.000) 0.000 16.107 ( 0.000 0.000 0.000) 0.000 16.607 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/279) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 31.631 -34.002 0.000) 46.440 1.015 ( 42.480 -24.028 0.000) 48.805 1.734 ( 68.962 -46.630 0.000) 83.248 4.631 ( -0.736 -1.187 0.000) 1.396 5.689 ( -5.179 -5.484 0.000) 7.543 6.208 ( 9.094 -1.443 0.000) 9.207 7.670 ( 8.486 1.336 0.000) 8.590 7.786 ( -9.798 2.559 0.000) 10.127 8.104 ( -4.734 1.581 0.000) 4.991 9.520 ( 9.920 -1.211 0.000) 9.994 9.521 ( 5.420 -10.062 0.000) 11.429 10.265 ( -2.248 -10.423 0.000) 10.663 10.274 ( 9.171 -0.548 0.000) 9.188 10.703 ( 1.509 -7.449 0.000) 7.600 11.090 ( -2.050 -1.619 0.000) 2.612 11.357 ( 11.624 17.836 0.000) 21.290 12.652 ( 6.293 -0.461 0.000) 6.309 12.695 ( -4.828 1.635 0.000) 5.097 13.706 ( -21.792 7.275 0.000) 22.975 14.792 ( -24.795 8.815 0.000) 26.315 15.478 ( -7.458 0.242 0.000) 7.462 16.302 ( 16.295 8.932 0.000) 18.582 16.777 ( 13.462 -11.993 0.000) 18.029 19.733 ( -3.698 0.371 0.000) 3.716 ======================= Grid point 2 (3/279) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 29.735 -30.737 0.000) 42.766 1.970 ( 38.474 -22.267 0.000) 44.453 3.368 ( 62.235 -41.498 0.000) 74.802 4.635 ( -1.202 -2.262 0.000) 2.562 5.626 ( -4.416 3.397 0.000) 5.571 6.466 ( 14.075 -10.451 0.000) 17.531 7.503 ( -16.319 6.943 0.000) 17.735 7.887 ( 19.404 1.064 0.000) 19.433 8.006 ( -5.128 0.431 0.000) 5.147 9.712 ( 1.384 -7.820 0.000) 7.942 9.747 ( 14.352 -1.199 0.000) 14.402 10.450 ( 0.904 -23.366 0.000) 23.383 10.495 ( 15.344 -1.494 0.000) 15.417 10.877 ( 6.871 -11.441 0.000) 13.346 11.068 ( -3.733 -2.882 0.000) 4.717 11.338 ( 4.253 7.707 0.000) 8.803 12.546 ( -9.464 3.171 0.000) 9.981 12.739 ( 2.129 10.975 0.000) 11.180 13.102 ( -21.961 19.660 0.000) 29.475 14.229 ( -31.699 3.497 0.000) 31.891 15.364 ( -6.730 -0.865 0.000) 6.785 16.357 ( 10.413 16.960 0.000) 19.902 17.242 ( 18.990 -15.264 0.000) 24.364 19.637 ( -5.160 3.212 0.000) 6.078 ======================= Grid point 3 (4/279) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( 25.385 -24.609 0.000) 35.355 2.810 ( 31.927 -19.366 0.000) 37.342 4.646 ( -1.184 -3.080 0.000) 3.299 4.697 ( 44.282 -26.701 0.000) 51.709 5.457 ( -7.999 6.471 0.000) 10.288 6.984 ( 26.280 -23.709 0.000) 35.394 7.114 ( -17.350 9.571 0.000) 19.814 7.928 ( -3.990 -0.323 0.000) 4.003 8.282 ( 28.789 1.603 0.000) 28.833 9.721 ( -6.858 -2.534 0.000) 7.311 9.995 ( 13.484 -0.163 0.000) 13.485 10.729 ( -2.341 -19.462 0.000) 19.602 10.807 ( 18.120 -3.013 0.000) 18.369 11.038 ( -3.836 -3.462 0.000) 5.167 11.263 ( 11.683 -24.807 0.000) 27.420 11.321 ( 3.040 3.448 0.000) 4.597 12.020 ( -36.666 31.264 0.000) 48.185 12.307 ( -13.659 4.472 0.000) 14.373 12.966 ( 9.635 14.139 0.000) 17.110 13.679 ( -28.569 3.267 0.000) 28.756 15.293 ( -5.231 -5.396 0.000) 7.515 16.277 ( 6.042 19.266 0.000) 20.192 17.711 ( 16.476 -12.780 0.000) 20.851 19.492 ( -6.343 4.626 0.000) 7.851 ======================= Grid point 4 (5/279) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.232 ( 16.014 -14.335 0.000) 21.493 3.465 ( 21.365 -13.940 0.000) 25.510 4.668 ( -0.548 -2.952 0.000) 3.003 5.145 ( -4.103 10.698 0.000) 11.458 5.496 ( 12.886 -12.951 0.000) 18.270 6.746 ( -12.322 7.947 0.000) 14.663 7.881 ( -2.139 -0.330 0.000) 2.165 7.931 ( 40.715 -36.990 0.000) 55.009 8.769 ( 31.822 3.535 0.000) 32.018 9.562 ( -13.612 -0.135 0.000) 13.613 10.180 ( 8.386 0.571 0.000) 8.406 10.579 ( -38.471 16.305 0.000) 41.783 10.980 ( -2.472 -2.281 0.000) 3.364 11.054 ( -4.991 9.789 0.000) 10.988 11.205 ( 18.912 -4.860 0.000) 19.526 11.448 ( -1.996 -0.195 0.000) 2.006 11.886 ( 12.517 -34.703 0.000) 36.891 11.990 ( -16.919 5.299 0.000) 17.730 12.850 ( 2.470 23.071 0.000) 23.203 13.227 ( -18.334 5.347 0.000) 19.098 15.329 ( -1.570 -9.307 0.000) 9.439 16.125 ( 1.939 16.134 0.000) 16.250 18.069 ( 10.630 -8.119 0.000) 13.375 19.334 ( -5.476 4.099 0.000) 6.840 ======================= Grid point 5 (6/279) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.460 ( -0.000 -0.000 0.000) 0.000 3.757 ( -0.000 0.000 0.000) 0.000 4.685 ( 0.000 -0.000 0.000) 0.000 5.000 ( 0.000 -0.000 0.000) 0.000 5.683 ( 0.000 -0.000 0.000) 0.000 6.583 ( 0.000 -0.000 0.000) 0.000 7.865 ( 0.000 -0.000 0.000) 0.000 8.794 ( -0.000 0.000 0.000) 0.000 9.180 ( -0.000 -0.000 0.000) 0.000 9.382 ( 0.000 0.000 0.000) 0.000 9.692 ( 0.000 -0.000 0.000) 0.000 10.249 ( 0.000 -0.000 0.000) 0.000 10.967 ( 0.000 -0.000 0.000) 0.000 11.021 ( 0.000 -0.000 0.000) 0.000 11.459 ( 0.000 -0.000 0.000) 0.000 11.533 ( -0.000 0.000 0.000) 0.000 11.682 ( 0.000 -0.000 0.000) 0.000 12.371 ( 0.000 -0.000 0.000) 0.000 12.579 ( 0.000 -0.000 0.000) 0.000 13.015 ( 0.000 -0.000 0.000) 0.000 15.392 ( 0.000 0.000 0.000) 0.000 16.027 ( 0.000 -0.000 0.000) 0.000 18.216 ( 0.000 -0.000 0.000) 0.000 19.254 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/279) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 41.629 0.000 0.000) 41.629 1.753 ( 50.499 0.000 0.000) 50.499 2.766 ( 77.730 0.000 0.000) 77.730 4.611 ( -0.757 -0.000 0.000) 0.757 5.710 ( 5.568 0.000 0.000) 5.568 6.297 ( 5.386 0.000 0.000) 5.386 7.592 ( -15.070 -0.000 0.000) 15.070 7.912 ( 20.457 0.000 0.000) 20.457 8.005 ( -6.938 -0.000 0.000) 6.938 9.627 ( 12.416 0.000 0.000) 12.416 9.732 ( 15.208 0.000 0.000) 15.208 10.132 ( -5.310 -0.000 0.000) 5.310 10.477 ( 14.870 0.000 0.000) 14.870 10.750 ( 6.197 0.000 0.000) 6.197 11.034 ( -3.420 -0.000 0.000) 3.420 11.518 ( 0.000 0.000 0.000) 0.000 12.584 ( -9.524 -0.000 0.000) 9.524 12.836 ( 13.625 0.000 0.000) 13.625 13.402 ( -22.510 -0.000 0.000) 22.510 14.196 ( -43.289 -0.000 0.000) 43.289 15.367 ( -7.480 -0.000 0.000) 7.480 16.740 ( 19.528 0.000 0.000) 19.528 16.897 ( 14.319 0.000 0.000) 14.319 19.636 ( -6.914 -0.000 0.000) 6.914 ======================= Grid point 13 (8/279) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 37.242 -11.998 0.000) 39.127 2.574 ( 45.121 -1.928 0.000) 45.162 4.092 ( 62.885 -17.994 0.000) 65.408 4.610 ( 0.475 -0.511 0.000) 0.698 5.740 ( 5.145 13.151 0.000) 14.122 6.490 ( 9.667 -16.413 0.000) 19.049 7.289 ( -17.520 4.408 0.000) 18.067 7.904 ( -5.565 -1.118 0.000) 5.676 8.346 ( 32.128 2.326 0.000) 32.213 9.778 ( 4.778 8.003 0.000) 9.321 9.993 ( 14.803 -0.038 0.000) 14.803 10.182 ( -0.384 -21.514 0.000) 21.518 10.756 ( 17.315 -1.181 0.000) 17.355 10.892 ( 6.787 -6.839 0.000) 9.635 10.983 ( -3.056 -1.171 0.000) 3.273 11.494 ( 3.438 6.672 0.000) 7.506 12.378 ( -13.873 1.548 0.000) 13.959 12.684 ( -30.023 20.814 0.000) 36.533 13.210 ( 13.786 6.715 0.000) 15.334 13.533 ( -40.421 -11.838 0.000) 42.119 15.227 ( -9.277 -1.040 0.000) 9.335 16.799 ( 11.622 22.864 0.000) 25.648 17.332 ( 15.378 -18.661 0.000) 24.181 19.502 ( -10.479 -1.790 0.000) 10.631 ======================= Grid point 14 (9/279) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.884 ( 28.581 -12.779 0.000) 31.308 3.280 ( 35.946 -1.538 0.000) 35.979 4.646 ( 3.857 0.202 0.000) 3.863 5.126 ( 32.039 -16.022 0.000) 35.822 5.577 ( 3.497 23.328 0.000) 23.589 6.930 ( -16.428 6.733 0.000) 17.754 7.099 ( 29.661 -32.434 0.000) 43.951 7.848 ( -3.396 -2.024 0.000) 3.954 8.886 ( 36.089 5.146 0.000) 36.454 9.620 ( -11.418 6.050 0.000) 12.921 10.192 ( 8.351 0.412 0.000) 8.361 10.469 ( 0.867 -15.867 0.000) 15.891 10.953 ( 1.140 -0.095 0.000) 1.144 11.097 ( 17.386 -4.005 0.000) 17.841 11.182 ( 9.486 -18.969 0.000) 21.209 11.498 ( 7.756 8.093 0.000) 11.210 11.754 ( -37.099 29.733 0.000) 47.544 12.088 ( -17.529 2.857 0.000) 17.760 13.031 ( -30.776 -12.838 0.000) 33.347 13.405 ( 12.885 14.663 0.000) 19.520 15.123 ( -7.296 -7.118 0.000) 10.193 16.649 ( 5.059 25.611 0.000) 26.106 17.771 ( 11.487 -16.658 0.000) 20.234 19.333 ( -12.814 -3.091 0.000) 13.181 ======================= Grid point 15 (10/279) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.368 ( 13.842 -6.513 0.000) 15.298 3.772 ( 21.540 2.557 0.000) 21.691 4.736 ( 9.002 3.460 0.000) 9.644 5.259 ( -3.703 14.601 0.000) 15.063 5.655 ( 15.942 2.784 0.000) 16.184 6.632 ( -9.873 3.656 0.000) 10.528 7.835 ( -1.268 -2.276 0.000) 2.606 8.155 ( 40.443 -38.198 0.000) 55.630 9.247 ( -19.270 3.193 0.000) 19.533 9.395 ( 21.376 5.485 0.000) 22.069 10.248 ( -1.310 -0.082 0.000) 1.313 10.258 ( -23.919 26.432 0.000) 35.648 10.993 ( 5.197 2.066 0.000) 5.592 11.046 ( -5.492 5.306 0.000) 7.636 11.449 ( 15.992 -5.178 0.000) 16.809 11.523 ( 6.767 1.804 0.000) 7.004 11.736 ( 12.998 -23.757 0.000) 27.080 11.740 ( -18.179 3.114 0.000) 18.444 12.775 ( -18.538 -16.579 0.000) 24.870 13.276 ( 2.511 29.807 0.000) 29.912 15.185 ( -0.155 -13.249 0.000) 13.250 16.382 ( -0.752 24.338 0.000) 24.350 18.080 ( 4.533 -11.223 0.000) 12.104 19.171 ( -11.920 -6.323 0.000) 13.493 ======================= Grid point 16 (11/279) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.472 ( -2.180 5.209 0.000) 5.647 3.847 ( -0.986 16.148 0.000) 16.178 4.818 ( 8.477 9.531 0.000) 12.755 5.118 ( 4.017 7.106 0.000) 8.163 5.745 ( 4.466 10.310 0.000) 11.236 6.583 ( 3.999 -5.465 0.000) 6.772 7.856 ( 0.533 -2.280 0.000) 2.342 8.626 ( -49.052 8.635 0.000) 49.807 8.844 ( -5.936 13.136 0.000) 14.415 9.461 ( 14.269 -8.771 0.000) 16.749 10.133 ( 35.256 -3.892 0.000) 35.470 10.167 ( -8.129 -0.465 0.000) 8.143 11.043 ( 3.008 1.868 0.000) 3.541 11.058 ( 5.800 4.149 0.000) 7.131 11.316 ( -19.449 4.357 0.000) 19.931 11.566 ( 5.174 7.975 0.000) 9.507 11.844 ( 15.666 -6.864 0.000) 17.104 12.207 ( 5.923 -24.013 0.000) 24.733 12.808 ( -3.908 28.766 0.000) 29.030 12.883 ( -1.572 -15.588 0.000) 15.667 15.373 ( 4.611 -9.066 0.000) 10.171 16.092 ( -3.925 15.530 0.000) 16.018 18.142 ( -7.256 -2.100 0.000) 7.554 19.130 ( -5.636 -12.535 0.000) 13.744 ======================= Grid point 17 (12/279) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.195 ( -12.299 19.694 0.000) 23.219 3.417 ( -15.279 29.106 0.000) 32.872 4.796 ( 4.317 10.612 0.000) 11.457 5.077 ( -10.715 5.867 0.000) 12.216 5.624 ( 7.858 19.401 0.000) 20.932 6.865 ( 15.564 -11.163 0.000) 19.154 7.565 ( -46.080 22.392 0.000) 51.233 7.903 ( 1.663 -2.434 0.000) 2.948 8.367 ( -21.165 12.272 0.000) 24.465 9.814 ( 15.339 2.120 0.000) 15.485 10.001 ( -11.585 0.300 0.000) 11.589 10.888 ( -19.323 3.581 0.000) 19.652 11.026 ( 35.441 -14.431 0.000) 38.267 11.043 ( 4.136 -2.693 0.000) 4.935 11.145 ( 5.373 5.553 0.000) 7.727 11.550 ( 6.311 2.366 0.000) 6.740 12.113 ( -12.116 37.275 0.000) 39.195 12.171 ( 13.171 -6.844 0.000) 14.843 12.577 ( -0.898 -15.671 0.000) 15.697 13.320 ( 13.774 -26.003 0.000) 29.426 15.479 ( 5.709 6.823 0.000) 8.896 15.961 ( -2.751 -4.585 0.000) 5.347 17.917 ( -16.389 4.494 0.000) 16.994 19.250 ( -1.357 -15.557 0.000) 15.616 ======================= Grid point 18 (13/279) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( -15.945 32.762 0.000) 36.436 2.724 ( -19.098 37.350 0.000) 41.949 4.380 ( -37.350 38.628 0.000) 53.732 4.741 ( 2.295 7.556 0.000) 7.896 5.673 ( 14.931 9.697 0.000) 17.803 6.731 ( -28.054 12.245 0.000) 30.610 7.292 ( 18.273 -10.595 0.000) 21.122 7.920 ( -18.749 5.501 0.000) 19.539 7.965 ( 1.561 -3.154 0.000) 3.519 9.785 ( -12.252 1.838 0.000) 12.389 9.963 ( 12.603 11.424 0.000) 17.010 10.543 ( -16.475 2.499 0.000) 16.664 10.942 ( -0.576 13.806 0.000) 13.818 11.168 ( 4.551 5.476 0.000) 7.121 11.306 ( -1.100 8.080 0.000) 8.155 11.444 ( -9.155 34.103 0.000) 35.310 12.199 ( 27.367 -31.042 0.000) 41.383 12.437 ( 9.262 -6.024 0.000) 11.049 12.723 ( 1.067 -13.105 0.000) 13.149 13.868 ( 13.021 -26.439 0.000) 29.471 15.471 ( 6.652 8.762 0.000) 11.001 16.049 ( 0.738 -9.652 0.000) 9.681 17.527 ( -20.251 8.365 0.000) 21.910 19.417 ( -1.082 -15.176 0.000) 15.214 ======================= Grid point 19 (14/279) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( -13.390 43.223 0.000) 45.249 1.941 ( -14.489 45.266 0.000) 47.528 3.111 ( -38.050 61.839 0.000) 72.608 4.697 ( 1.057 4.805 0.000) 4.920 5.814 ( 13.486 6.991 0.000) 15.191 6.280 ( -16.125 4.987 0.000) 16.879 7.634 ( -11.421 -0.538 0.000) 11.434 7.673 ( 13.450 -6.724 0.000) 15.037 8.027 ( 0.215 -4.979 0.000) 4.984 9.572 ( -8.719 2.987 0.000) 9.216 9.941 ( 7.041 22.237 0.000) 23.325 10.299 ( -9.501 1.510 0.000) 9.620 10.673 ( -4.785 19.785 0.000) 20.356 10.993 ( 0.048 18.712 0.000) 18.712 11.165 ( 2.312 4.647 0.000) 5.191 11.228 ( -4.937 5.472 0.000) 7.370 12.558 ( -3.683 -8.338 0.000) 9.116 12.619 ( 4.769 -4.762 0.000) 6.739 13.254 ( 24.507 -26.690 0.000) 36.235 14.341 ( 4.062 -28.518 0.000) 28.806 15.515 ( 6.644 3.404 0.000) 7.465 16.169 ( 4.036 -2.456 0.000) 4.725 17.076 ( -18.492 10.860 0.000) 21.445 19.563 ( -1.566 -13.267 0.000) 13.359 ======================= Grid point 20 (15/279) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -0.000 50.590 0.000) 50.590 1.238 ( -0.000 51.042 0.000) 51.042 1.870 ( -0.000 77.164 0.000) 77.164 4.661 ( -0.000 2.781 0.000) 2.781 5.978 ( -0.000 3.764 0.000) 3.764 6.002 ( -0.000 2.430 0.000) 2.430 7.559 ( 0.000 -2.955 0.000) 2.955 7.845 ( 0.000 -2.870 0.000) 2.870 8.097 ( 0.000 -5.593 0.000) 5.593 9.458 ( -0.000 2.738 0.000) 2.738 9.697 ( -0.000 23.430 0.000) 23.430 10.203 ( -0.000 0.962 0.000) 0.962 10.435 ( -0.000 15.413 0.000) 15.413 10.905 ( -0.000 6.278 0.000) 6.278 11.036 ( -0.000 8.425 0.000) 8.425 11.137 ( -0.000 3.275 0.000) 3.275 12.585 ( 0.000 -4.122 0.000) 4.122 12.706 ( 0.000 -3.255 0.000) 3.255 13.800 ( 0.000 -21.991 0.000) 21.991 14.686 ( 0.000 -25.855 0.000) 25.855 15.574 ( 0.000 -0.713 0.000) 0.713 16.187 ( -0.000 5.351 0.000) 5.351 16.764 ( -0.000 10.278 0.000) 10.278 19.684 ( 0.000 -9.741 0.000) 9.741 ======================= Grid point 23 (16/279) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 279 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( 34.056 0.000 0.000) 34.056 3.296 ( 40.242 0.000 0.000) 40.242 4.651 ( 5.313 0.000 0.000) 5.313 4.894 ( 39.899 0.000 0.000) 39.899 6.037 ( 14.840 0.000 0.000) 14.840 6.545 ( 18.113 0.000 0.000) 18.113 7.019 ( -17.701 -0.000 0.000) 17.701 7.816 ( -3.725 -0.000 0.000) 3.725 8.957 ( 37.452 0.000 0.000) 37.452 9.769 ( -19.520 -0.000 0.000) 19.520 10.173 ( 20.275 0.000 0.000) 20.275 10.197 ( 8.256 0.000 0.000) 8.256 10.951 ( 6.250 0.000 0.000) 6.250 10.961 ( 2.076 0.000 0.000) 2.076 11.040 ( 17.272 0.000 0.000) 17.272 11.609 ( 5.858 0.000 0.000) 5.858 12.122 ( -17.709 -0.000 0.000) 17.709 12.328 ( -31.556 -0.000 0.000) 31.556 12.666 ( -44.520 -0.000 0.000) 44.520 13.604 ( 22.924 0.000 0.000) 22.924 15.028 ( -12.951 -0.000 0.000) 12.951 17.160 ( 5.116 0.000 0.000) 5.116 17.379 ( 12.819 0.000 0.000) 12.819 19.275 ( -14.835 -0.000 0.000) 14.835 ======================= Grid point 24 (17/279) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.231 ( 22.409 -3.637 0.000) 22.703 3.875 ( 31.065 4.265 0.000) 31.356 4.804 ( 14.412 1.707 0.000) 14.513 5.286 ( 3.528 -4.676 0.000) 5.858 6.127 ( 21.196 27.178 0.000) 34.466 6.716 ( -15.680 2.490 0.000) 15.876 7.274 ( 38.670 -32.191 0.000) 50.315 7.781 ( -1.788 -1.624 0.000) 2.415 9.326 ( -30.090 2.561 0.000) 30.199 9.537 ( 32.619 4.408 0.000) 32.915 10.246 ( -2.066 -0.049 0.000) 2.066 10.549 ( 19.117 1.756 0.000) 19.197 11.049 ( 8.937 1.996 0.000) 9.158 11.141 ( 7.542 -11.912 0.000) 14.099 11.339 ( 16.137 -3.224 0.000) 16.456 11.503 ( -29.505 25.110 0.000) 38.743 11.729 ( 7.672 5.506 0.000) 9.443 11.794 ( -20.262 1.228 0.000) 20.299 12.247 ( -30.971 -25.734 0.000) 40.267 13.880 ( 17.969 17.896 0.000) 25.360 14.865 ( -10.657 -11.401 0.000) 15.606 16.999 ( -0.479 24.231 0.000) 24.236 17.714 ( 7.432 -17.943 0.000) 19.421 19.020 ( -18.326 -4.555 0.000) 18.884 ======================= Grid point 25 (18/279) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.510 ( 7.715 -0.577 0.000) 7.737 4.190 ( 16.520 12.688 0.000) 20.831 5.055 ( 19.955 8.734 0.000) 21.782 5.238 ( -7.923 -0.646 0.000) 7.950 6.177 ( 22.066 27.399 0.000) 35.180 6.495 ( -7.688 -2.067 0.000) 7.960 7.790 ( -0.488 -2.815 0.000) 2.857 8.353 ( 31.295 -35.883 0.000) 47.613 8.723 ( -33.435 1.067 0.000) 33.452 9.801 ( 3.689 19.903 0.000) 20.241 10.159 ( -7.764 -0.241 0.000) 7.768 10.434 ( 2.036 25.712 0.000) 25.793 11.082 ( 6.087 2.070 0.000) 6.429 11.164 ( 7.123 4.360 0.000) 8.351 11.407 ( -17.504 3.369 0.000) 17.825 11.552 ( 10.824 -17.695 0.000) 20.742 11.678 ( 13.490 -6.810 0.000) 15.112 11.868 ( 12.782 4.316 0.000) 13.491 12.181 ( -14.878 -32.544 0.000) 35.784 13.693 ( -0.511 35.057 0.000) 35.060 15.014 ( 3.933 -19.718 0.000) 20.107 16.639 ( -5.550 26.482 0.000) 27.057 17.969 ( -0.544 -12.415 0.000) 12.427 18.806 ( -17.521 -12.655 0.000) 21.613 ======================= Grid point 26 (19/279) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.513 ( -1.963 7.603 0.000) 7.852 4.075 ( -2.587 25.399 0.000) 25.530 5.151 ( -3.533 -0.070 0.000) 3.534 5.156 ( 10.628 18.689 0.000) 21.500 6.184 ( 17.461 27.490 0.000) 32.567 6.593 ( 9.577 -11.840 0.000) 15.229 7.825 ( -0.206 -3.791 0.000) 3.796 7.894 ( -45.618 7.371 0.000) 46.210 8.931 ( -13.174 26.072 0.000) 29.211 9.601 ( 19.760 -17.043 0.000) 26.094 10.008 ( -9.914 0.303 0.000) 9.918 10.627 ( 27.301 -2.428 0.000) 27.409 10.966 ( -20.415 2.787 0.000) 20.605 11.167 ( 5.929 2.846 0.000) 6.577 11.296 ( 7.372 7.035 0.000) 10.190 11.768 ( 6.936 8.307 0.000) 10.822 11.992 ( 12.321 -8.110 0.000) 14.750 12.079 ( 6.749 -14.646 0.000) 16.126 12.552 ( 5.413 -35.897 0.000) 36.303 13.146 ( -9.528 39.716 0.000) 40.843 15.359 ( 11.401 -14.487 0.000) 18.435 16.228 ( -7.613 22.475 0.000) 23.729 17.932 ( -14.150 -2.840 0.000) 14.432 18.790 ( -9.399 -22.118 0.000) 24.032 ======================= Grid point 27 (20/279) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.276 ( -6.533 19.873 0.000) 20.919 3.590 ( -10.706 34.204 0.000) 35.841 4.997 ( -9.993 13.521 0.000) 16.813 5.037 ( 3.502 18.006 0.000) 18.344 6.132 ( 14.798 25.417 0.000) 29.411 7.007 ( 18.900 -13.600 0.000) 23.284 7.052 ( -34.759 15.592 0.000) 38.096 7.864 ( -1.588 -4.989 0.000) 5.236 8.252 ( -21.102 24.479 0.000) 32.319 9.828 ( -9.936 1.716 0.000) 10.083 10.114 ( 19.996 -2.985 0.000) 20.218 10.606 ( -17.658 2.572 0.000) 17.845 11.068 ( 1.335 -5.023 0.000) 5.197 11.323 ( 5.635 7.506 0.000) 9.385 11.431 ( 30.362 -12.585 0.000) 32.867 11.716 ( 5.648 12.659 0.000) 13.861 12.265 ( -4.229 7.634 0.000) 8.727 12.267 ( 8.862 -8.149 0.000) 12.039 12.530 ( -5.484 18.302 0.000) 19.106 13.098 ( 5.126 -34.967 0.000) 35.341 15.693 ( 14.456 0.511 0.000) 14.465 15.918 ( -4.162 6.504 0.000) 7.721 17.632 ( -21.197 0.864 0.000) 21.215 18.949 ( -5.540 -23.641 0.000) 24.281 ======================= Grid point 28 (21/279) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( -6.212 32.661 0.000) 33.247 2.972 ( -8.819 40.574 0.000) 41.521 4.417 ( -16.682 44.108 0.000) 47.157 4.892 ( 1.347 12.701 0.000) 12.772 6.097 ( 9.588 15.238 0.000) 18.003 6.473 ( -12.766 14.900 0.000) 19.621 7.471 ( 17.726 -10.590 0.000) 20.648 7.728 ( -15.424 10.756 0.000) 18.804 7.879 ( -5.216 -7.006 0.000) 8.735 9.650 ( -7.027 3.367 0.000) 7.792 10.342 ( -10.076 2.002 0.000) 10.273 10.383 ( 18.931 11.568 0.000) 22.186 10.976 ( -9.689 5.186 0.000) 10.990 11.306 ( 2.758 7.141 0.000) 7.655 11.520 ( 4.907 22.822 0.000) 23.344 11.722 ( -8.125 35.166 0.000) 36.092 12.196 ( 12.290 -23.337 0.000) 26.375 12.473 ( 4.630 -7.417 0.000) 8.744 12.673 ( 11.748 -17.872 0.000) 21.387 13.540 ( -3.310 -36.943 0.000) 37.091 15.659 ( 0.853 9.495 0.000) 9.534 16.106 ( 14.770 -4.215 0.000) 15.360 17.246 ( -20.473 3.387 0.000) 20.751 19.141 ( -3.725 -21.865 0.000) 22.180 ======================= Grid point 29 (22/279) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 279 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( -0.000 41.900 0.000) 41.900 2.383 ( -0.000 45.266 0.000) 45.266 3.576 ( -0.000 64.819 0.000) 64.819 4.782 ( -0.000 8.141 0.000) 8.141 6.092 ( -0.000 4.827 0.000) 4.827 6.178 ( -0.000 14.958 0.000) 14.958 7.523 ( -0.000 1.719 0.000) 1.719 7.758 ( 0.000 -4.230 0.000) 4.230 7.900 ( 0.000 -11.106 0.000) 11.106 9.541 ( -0.000 4.013 0.000) 4.013 10.234 ( -0.000 1.644 0.000) 1.644 10.360 ( -0.000 27.729 0.000) 27.729 10.749 ( -0.000 7.471 0.000) 7.471 11.249 ( -0.000 6.133 0.000) 6.133 11.270 ( -0.000 26.040 0.000) 26.040 11.339 ( -0.000 18.342 0.000) 18.342 12.426 ( 0.000 -9.988 0.000) 9.988 12.593 ( 0.000 -6.222 0.000) 6.222 13.156 ( 0.000 -29.596 0.000) 29.596 13.922 ( 0.000 -36.696 0.000) 36.696 15.599 ( -0.000 3.487 0.000) 3.487 16.284 ( -0.000 1.715 0.000) 1.715 16.975 ( -0.000 6.318 0.000) 6.318 19.347 ( 0.000 -18.536 0.000) 18.536 ======================= Grid point 34 (23/279) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.497 ( 11.231 0.000 0.000) 11.231 4.371 ( 24.124 0.000 0.000) 24.124 5.166 ( 26.411 0.000 0.000) 26.411 5.187 ( -10.736 -0.000 0.000) 10.736 6.474 ( -14.216 -0.000 0.000) 14.216 6.703 ( 22.227 0.000 0.000) 22.227 7.727 ( 40.655 0.000 0.000) 40.655 7.751 ( -0.707 -0.000 0.000) 0.707 8.746 ( -37.888 -0.000 0.000) 37.888 10.040 ( 22.062 0.000 0.000) 22.062 10.156 ( -7.599 -0.000 0.000) 7.599 11.026 ( 28.788 0.000 0.000) 28.788 11.090 ( -12.227 -0.000 0.000) 12.227 11.226 ( 5.782 0.000 0.000) 5.782 11.374 ( -19.982 -0.000 0.000) 19.982 11.446 ( -8.199 -0.000 0.000) 8.199 11.467 ( -15.927 -0.000 0.000) 15.927 11.567 ( 13.647 0.000 0.000) 13.647 11.978 ( 10.778 0.000 0.000) 10.778 14.390 ( 23.600 0.000 0.000) 23.600 14.503 ( -18.239 -0.000 0.000) 18.239 17.090 ( -8.655 -0.000 0.000) 8.655 17.696 ( 5.600 0.000 0.000) 5.600 18.641 ( -22.781 -0.000 0.000) 22.781 ======================= Grid point 35 (24/279) ======================= q-point: (-0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.607 ( 3.270 1.419 0.000) 3.565 4.593 ( 9.206 17.478 0.000) 19.754 5.033 ( -7.901 -9.075 0.000) 12.033 5.575 ( 25.248 13.421 0.000) 28.593 6.323 ( -4.853 -9.353 0.000) 10.537 6.831 ( 10.064 21.426 0.000) 23.671 7.751 ( -0.951 -1.899 0.000) 2.124 8.070 ( -24.159 10.745 0.000) 26.441 8.618 ( 29.221 -30.913 0.000) 42.538 10.014 ( -8.973 0.127 0.000) 8.974 10.014 ( -13.191 31.104 0.000) 33.785 10.700 ( -0.829 2.003 0.000) 2.167 11.012 ( -21.018 1.040 0.000) 21.044 11.188 ( 0.908 -0.766 0.000) 1.188 11.458 ( 9.301 5.558 0.000) 10.836 11.590 ( 16.681 -11.112 0.000) 20.044 11.704 ( 9.259 -24.993 0.000) 26.653 11.812 ( 11.109 -5.976 0.000) 12.614 12.160 ( 14.486 5.283 0.000) 15.420 13.986 ( -13.679 27.859 0.000) 31.036 14.933 ( 17.947 -18.707 0.000) 25.924 16.779 ( -11.359 19.058 0.000) 22.186 17.799 ( -4.927 -7.494 0.000) 8.969 18.325 ( -19.996 -12.909 0.000) 23.801 ======================= Grid point 36 (25/279) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.579 ( -0.775 6.852 0.000) 6.896 4.298 ( -8.311 25.120 0.000) 26.459 5.117 ( 3.864 -2.106 0.000) 4.400 5.562 ( 5.381 24.845 0.000) 25.421 6.589 ( -13.963 10.623 0.000) 17.545 6.637 ( 17.308 -18.020 0.000) 24.985 7.587 ( -1.793 30.955 0.000) 31.007 7.754 ( -3.045 -3.768 0.000) 4.844 9.004 ( -17.513 30.107 0.000) 34.830 9.698 ( 19.404 -22.716 0.000) 29.875 9.861 ( -8.272 1.006 0.000) 8.333 10.657 ( -18.454 1.614 0.000) 18.525 10.819 ( -2.276 -15.002 0.000) 15.174 11.311 ( 15.685 1.117 0.000) 15.725 11.513 ( 6.817 8.183 0.000) 10.650 11.948 ( 11.579 -8.762 0.000) 14.521 12.064 ( 8.182 -8.626 0.000) 11.889 12.084 ( 7.518 -8.307 0.000) 11.204 12.383 ( 12.106 -7.768 0.000) 14.384 13.380 ( -15.212 32.535 0.000) 35.915 15.452 ( 20.911 -13.940 0.000) 25.131 16.344 ( -10.168 21.575 0.000) 23.851 17.601 ( -21.862 -2.499 0.000) 22.004 18.353 ( -7.334 -24.825 0.000) 25.885 ======================= Grid point 37 (26/279) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.421 ( -2.061 15.650 0.000) 15.785 3.822 ( -7.706 30.719 0.000) 31.671 5.097 ( 0.854 15.280 0.000) 15.304 5.319 ( 1.076 22.755 0.000) 22.780 6.242 ( -16.783 -1.480 0.000) 16.848 7.159 ( 18.843 -15.876 0.000) 24.639 7.248 ( 13.038 45.454 0.000) 47.287 7.726 ( -7.110 -5.418 0.000) 8.939 8.222 ( -21.297 31.185 0.000) 37.763 9.722 ( -5.528 2.502 0.000) 6.068 10.345 ( 20.406 -17.574 0.000) 26.930 10.387 ( -10.687 1.715 0.000) 10.823 10.889 ( -10.528 -13.838 0.000) 17.388 11.496 ( 3.299 8.752 0.000) 9.353 11.695 ( 20.095 -11.391 0.000) 23.099 12.087 ( 11.076 18.235 0.000) 21.335 12.243 ( 2.186 -5.955 0.000) 6.344 12.276 ( 4.375 -9.073 0.000) 10.073 12.601 ( -6.752 1.147 0.000) 6.849 12.837 ( -5.811 3.997 0.000) 7.053 15.943 ( 17.464 -8.100 0.000) 19.251 15.981 ( -2.123 16.168 0.000) 16.307 17.246 ( -22.287 -2.883 0.000) 22.473 18.565 ( -3.882 -25.733 0.000) 26.024 ======================= Grid point 38 (27/279) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( -0.000 25.611 0.000) 25.611 3.353 ( -0.000 36.402 0.000) 36.402 4.782 ( -0.000 35.019 0.000) 35.019 5.085 ( -0.000 18.088 0.000) 18.088 6.134 ( 0.000 -2.535 0.000) 2.535 6.846 ( -0.000 42.984 0.000) 42.984 7.575 ( 0.000 -16.206 0.000) 16.206 7.659 ( 0.000 -3.854 0.000) 3.854 7.735 ( -0.000 17.563 0.000) 17.563 9.634 ( -0.000 3.632 0.000) 3.632 10.276 ( -0.000 1.741 0.000) 1.741 10.747 ( -0.000 2.077 0.000) 2.077 10.782 ( 0.000 -6.238 0.000) 6.238 11.421 ( -0.000 8.288 0.000) 8.288 11.948 ( -0.000 29.879 0.000) 29.879 11.979 ( -0.000 28.907 0.000) 28.907 12.073 ( 0.000 -17.703 0.000) 17.703 12.417 ( 0.000 -8.511 0.000) 8.511 12.584 ( 0.000 -15.073 0.000) 15.073 13.056 ( 0.000 -32.889 0.000) 32.889 15.770 ( -0.000 11.403 0.000) 11.403 16.245 ( 0.000 -4.919 0.000) 4.919 17.038 ( 0.000 -0.950 0.000) 0.950 18.828 ( 0.000 -24.606 0.000) 24.606 ======================= Grid point 45 (28/279) ======================= q-point: ( 0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 279 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.652 ( 1.040 0.000 0.000) 1.040 4.680 ( -15.560 -0.000 0.000) 15.560 5.005 ( 15.700 0.000 0.000) 15.700 6.100 ( -7.810 -0.000 0.000) 7.810 6.190 ( 30.400 0.000 0.000) 30.400 6.697 ( -30.513 -0.000 0.000) 30.513 7.706 ( -3.229 -0.000 0.000) 3.229 8.236 ( 18.506 0.000 0.000) 18.506 8.827 ( 23.931 0.000 0.000) 23.931 9.873 ( -7.681 -0.000 0.000) 7.681 10.099 ( -12.982 -0.000 0.000) 12.982 10.236 ( -27.086 -0.000 0.000) 27.086 10.677 ( -18.723 -0.000 0.000) 18.723 11.381 ( 17.898 0.000 0.000) 17.898 11.647 ( 7.799 0.000 0.000) 7.799 11.747 ( 12.467 0.000 0.000) 12.467 11.873 ( 15.192 0.000 0.000) 15.192 11.924 ( 7.381 0.000 0.000) 7.381 12.460 ( 16.976 0.000 0.000) 16.976 13.831 ( -21.427 -0.000 0.000) 21.427 15.229 ( 27.349 0.000 0.000) 27.349 16.681 ( -13.334 -0.000 0.000) 13.334 17.563 ( -22.008 -0.000 0.000) 22.008 17.979 ( -6.815 -0.000 0.000) 6.815 ======================= Grid point 47 (29/279) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.638 ( -0.070 3.941 0.000) 3.941 4.375 ( -8.901 14.125 0.000) 16.695 5.260 ( 12.807 0.941 0.000) 12.841 5.867 ( -1.443 19.498 0.000) 19.551 6.179 ( -27.545 -2.028 0.000) 27.620 6.753 ( 19.818 -15.788 0.000) 25.338 7.638 ( -6.113 -1.881 0.000) 6.396 8.317 ( 23.925 40.126 0.000) 46.718 9.073 ( -15.298 29.033 0.000) 32.817 9.711 ( 12.797 -20.331 0.000) 24.023 9.763 ( -4.665 0.910 0.000) 4.753 10.286 ( -17.874 -35.970 0.000) 40.166 10.417 ( -11.073 0.674 0.000) 11.093 11.658 ( 17.442 3.812 0.000) 17.854 11.698 ( 3.899 7.176 0.000) 8.167 11.985 ( 7.306 -8.680 0.000) 11.346 12.065 ( 2.166 -7.896 0.000) 8.188 12.068 ( 3.943 -7.319 0.000) 8.314 12.701 ( 17.623 9.459 0.000) 20.001 13.372 ( -19.967 16.151 0.000) 25.682 15.732 ( 25.397 -6.493 0.000) 26.214 16.396 ( -8.454 14.146 0.000) 16.480 17.150 ( -25.626 -3.980 0.000) 25.934 18.030 ( -1.739 -15.551 0.000) 15.648 ======================= Grid point 48 (30/279) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 279 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.557 ( -0.000 9.592 0.000) 9.592 4.074 ( -0.000 23.565 0.000) 23.565 5.306 ( -0.000 12.408 0.000) 12.408 5.601 ( -0.000 23.269 0.000) 23.269 5.986 ( 0.000 -8.321 0.000) 8.321 7.152 ( 0.000 -18.633 0.000) 18.633 7.586 ( 0.000 -2.237 0.000) 2.237 8.084 ( -0.000 57.274 0.000) 57.274 8.331 ( -0.000 30.682 0.000) 30.682 9.704 ( -0.000 2.097 0.000) 2.097 10.311 ( -0.000 1.119 0.000) 1.119 10.340 ( 0.000 -29.624 0.000) 29.624 10.423 ( 0.000 -29.649 0.000) 29.649 11.631 ( -0.000 9.036 0.000) 9.036 11.816 ( 0.000 -1.028 0.000) 1.028 12.161 ( 0.000 -13.186 0.000) 13.186 12.179 ( 0.000 -9.053 0.000) 9.053 12.203 ( 0.000 -9.234 0.000) 9.234 12.750 ( -0.000 21.054 0.000) 21.054 12.894 ( -0.000 19.178 0.000) 19.178 16.084 ( 0.000 -7.347 0.000) 7.347 16.124 ( -0.000 17.227 0.000) 17.227 16.949 ( 0.000 -5.937 0.000) 5.937 18.243 ( 0.000 -22.719 0.000) 22.719 ======================= Grid point 58 (31/279) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.662 ( 0.000 -0.000 0.000) 0.000 4.379 ( 0.000 -0.000 0.000) 0.000 5.447 ( 0.000 -0.000 0.000) 0.000 5.858 ( 0.000 -0.000 0.000) 0.000 5.967 ( 0.000 -0.000 0.000) 0.000 6.850 ( 0.000 -0.000 0.000) 0.000 7.559 ( 0.000 -0.000 0.000) 0.000 8.893 ( -0.000 0.000 0.000) 0.000 9.291 ( 0.000 -0.000 0.000) 0.000 9.534 ( -0.000 0.000 0.000) 0.000 9.729 ( 0.000 -0.000 0.000) 0.000 9.772 ( 0.000 -0.000 0.000) 0.000 10.325 ( 0.000 -0.000 0.000) 0.000 11.782 ( 0.000 -0.000 0.000) 0.000 11.886 ( 0.000 -0.000 0.000) 0.000 11.983 ( 0.000 -0.000 0.000) 0.000 12.000 ( 0.000 -0.000 0.000) 0.000 12.049 ( 0.000 -0.000 0.000) 0.000 13.031 ( 0.000 -0.000 0.000) 0.000 13.177 ( 0.000 -0.000 0.000) 0.000 15.980 ( 0.000 -0.000 0.000) 0.000 16.411 ( 0.000 -0.000 0.000) 0.000 16.831 ( 0.000 -0.000 0.000) 0.000 17.926 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 105 (32/279) ======================= q-point: ( 0.00 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 279 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 0.000 0.000 43.209) 43.209 1.037 ( 0.000 0.000 52.192) 52.192 1.620 ( 0.000 0.000 80.448) 80.448 5.106 ( 0.000 0.000 14.439) 14.439 5.661 ( 0.000 0.000 4.063) 4.063 5.938 ( 0.000 0.000 0.580) 0.580 7.588 ( 0.000 0.000 -0.868) 0.868 8.003 ( 0.000 0.000 12.154) 12.154 8.395 ( 0.000 0.000 19.673) 19.673 9.473 ( 0.000 0.000 7.320) 7.320 9.668 ( 0.000 0.000 23.774) 23.774 10.277 ( 0.000 0.000 4.817) 4.817 10.327 ( 0.000 0.000 11.944) 11.944 10.650 ( 0.000 0.000 5.362) 5.362 10.818 ( 0.000 0.000 -2.449) 2.449 11.526 ( 0.000 0.000 -0.364) 0.364 12.581 ( 0.000 0.000 -5.295) 5.295 12.823 ( 0.000 0.000 8.480) 8.480 13.974 ( 0.000 0.000 -10.802) 10.802 15.046 ( 0.000 0.000 -9.093) 9.093 15.533 ( 0.000 0.000 -6.135) 6.135 16.063 ( 0.000 0.000 -4.408) 4.408 16.557 ( 0.000 0.000 -5.014) 5.014 19.550 ( 0.000 0.000 -4.053) 4.053 ======================= Grid point 106 (33/279) ======================= q-point: ( 0.10 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 29.994 -6.990 36.792) 47.980 1.442 ( 33.150 -22.436 29.926) 49.979 2.293 ( 42.437 -38.946 51.712) 77.407 4.916 ( -5.384 4.495 22.557) 23.622 5.715 ( -2.576 -4.529 3.383) 6.212 6.121 ( 12.491 -4.390 -4.255) 13.907 7.650 ( 9.147 2.759 -0.896) 9.596 7.925 ( -8.519 0.899 13.373) 15.882 8.317 ( -5.743 2.156 20.356) 21.260 9.493 ( -1.208 -8.475 4.161) 9.519 9.843 ( 14.974 -0.781 24.595) 28.805 10.275 ( -3.115 -8.271 3.646) 9.561 10.414 ( 5.702 -3.936 9.296) 11.594 10.750 ( 7.467 -4.288 7.713) 11.560 11.005 ( 11.830 -1.450 -4.930) 12.898 11.439 ( 0.215 11.018 3.353) 11.519 12.612 ( 4.746 1.529 -4.133) 6.476 12.787 ( -2.628 1.977 8.099) 8.741 13.686 ( -21.525 11.928 -5.405) 25.196 14.709 ( -25.289 8.794 -8.492) 28.088 15.439 ( -7.045 -0.254 -4.107) 8.159 16.246 ( 15.145 8.031 -5.695) 18.064 16.732 ( 13.324 -11.386 -5.395) 18.337 19.558 ( -4.518 -4.084 -11.302) 12.838 ======================= Grid point 107 (34/279) ======================= q-point: ( 0.20 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 852 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 33.458 -16.107 20.224) 42.284 2.255 ( 28.915 -25.749 24.225) 45.672 3.595 ( 52.245 -36.791 22.418) 67.717 4.857 ( -0.553 -1.261 21.587) 21.630 5.674 ( -3.857 2.575 5.135) 6.919 6.431 ( 15.147 -10.918 -2.290) 18.812 7.643 ( -11.804 7.273 12.804) 18.872 7.901 ( 16.613 1.057 2.724) 16.868 8.200 ( -5.457 0.417 18.898) 19.675 9.616 ( 1.031 -9.641 -0.472) 9.707 10.049 ( 8.886 1.750 19.210) 21.238 10.441 ( 6.647 -14.782 3.210) 16.522 10.602 ( 6.140 -10.645 6.851) 14.070 10.998 ( 13.235 -8.313 14.045) 21.013 11.147 ( 2.141 -3.888 5.130) 6.784 11.330 ( 2.005 9.257 -0.167) 9.473 12.578 ( -7.344 4.465 1.768) 8.775 12.739 ( -1.506 11.741 0.288) 11.841 13.077 ( -19.478 18.215 -2.084) 26.750 14.152 ( -30.663 3.997 -7.818) 31.895 15.330 ( -6.921 -1.228 -3.450) 7.830 16.297 ( 9.757 16.252 -6.021) 19.889 17.181 ( 18.490 -14.731 -6.497) 24.517 19.483 ( -6.795 0.092 -13.531) 15.141 ======================= Grid point 108 (35/279) ======================= q-point: ( 0.30 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( 28.855 -16.843 12.880) 35.808 2.987 ( 23.966 -21.974 17.008) 36.695 4.642 ( 22.648 -13.981 3.834) 26.890 4.990 ( 16.984 -10.525 24.237) 31.412 5.530 ( -7.831 3.754 7.816) 11.684 6.926 ( 19.428 -18.419 -1.774) 26.830 7.330 ( -8.445 4.633 18.393) 20.762 8.095 ( -0.939 0.807 14.778) 14.830 8.305 ( 25.725 0.389 3.872) 26.018 9.678 ( -5.380 -4.944 -1.307) 7.423 10.165 ( 7.011 -0.839 12.738) 14.564 10.774 ( 13.265 -11.985 -0.394) 17.882 10.817 ( 1.542 -11.629 7.793) 14.083 11.112 ( -4.147 -0.596 7.398) 8.502 11.296 ( 2.804 4.827 -1.128) 5.695 11.471 ( 17.066 -20.461 17.712) 31.994 11.992 ( -36.201 29.252 -2.376) 46.602 12.354 ( -12.109 7.609 3.760) 14.787 12.982 ( 9.579 11.770 2.131) 15.324 13.616 ( -27.394 3.501 -6.384) 28.345 15.257 ( -5.672 -5.477 -3.651) 8.689 16.215 ( 5.490 18.694 -6.302) 20.477 17.640 ( 16.349 -12.495 -7.290) 21.830 19.342 ( -7.657 2.820 -14.261) 16.430 ======================= Grid point 109 (36/279) ======================= q-point: ( 0.40 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 852 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.351 ( 17.157 -11.481 11.021) 23.402 3.546 ( 16.607 -13.799 8.386) 23.164 4.839 ( 2.399 -3.632 14.715) 15.345 5.221 ( -2.043 10.920 7.842) 13.599 5.574 ( 8.232 -12.668 9.531) 17.863 6.877 ( -11.105 7.198 12.552) 18.239 7.881 ( 22.358 -19.516 4.216) 29.976 8.153 ( 15.845 -15.586 18.177) 28.712 8.779 ( 31.391 3.384 1.205) 31.595 9.551 ( -13.312 -0.965 -0.022) 13.347 10.265 ( -1.205 -0.320 6.272) 6.394 10.657 ( -31.248 20.558 8.003) 38.250 11.039 ( -3.829 0.137 3.010) 4.872 11.087 ( -2.392 5.973 4.065) 7.611 11.155 ( 15.206 -10.830 -1.881) 18.763 11.463 ( -0.913 -0.412 2.060) 2.291 11.989 ( -3.806 -5.169 5.577) 8.503 12.089 ( 3.548 -14.476 13.065) 19.820 12.900 ( 1.768 18.472 5.032) 19.227 13.183 ( -16.797 6.210 -4.149) 18.383 15.284 ( -2.024 -9.182 -4.553) 10.447 16.061 ( 1.625 15.753 -6.460) 17.103 17.997 ( 10.851 -8.050 -7.275) 15.345 19.180 ( -6.398 3.324 -15.056) 16.693 ======================= Grid point 110 (37/279) ======================= q-point: (-0.50 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 442 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.568 ( -0.000 -0.000 10.608) 10.608 3.793 ( -0.000 0.000 3.716) 3.716 4.886 ( 0.000 -0.000 17.587) 17.587 5.097 ( 0.000 -0.000 9.808) 9.808 5.726 ( 0.000 -0.000 6.083) 6.083 6.723 ( 0.000 -0.000 13.599) 13.599 7.998 ( 0.000 -0.000 12.501) 12.501 8.862 ( -0.000 0.000 7.636) 7.636 9.185 ( -0.000 -0.000 0.383) 0.383 9.381 ( 0.000 -0.000 1.311) 1.311 9.690 ( 0.000 -0.000 -0.117) 0.117 10.402 ( 0.000 -0.000 13.364) 13.364 11.003 ( 0.000 -0.000 1.236) 1.236 11.079 ( 0.000 -0.000 6.499) 6.499 11.411 ( 0.000 0.000 -0.757) 0.757 11.529 ( 0.000 -0.000 -0.481) 0.481 11.740 ( 0.000 -0.000 4.014) 4.014 12.505 ( 0.000 0.000 13.038) 13.038 12.672 ( 0.000 -0.000 9.296) 9.296 12.972 ( 0.000 -0.000 -4.355) 4.355 15.342 ( 0.000 0.000 -5.102) 5.102 15.962 ( 0.000 -0.000 -6.471) 6.471 18.147 ( 0.000 -0.000 -6.887) 6.887 19.095 ( 0.000 -0.000 -15.690) 15.690 ======================= Grid point 117 (38/279) ======================= q-point: ( 0.10 0.10 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 470 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 32.041 0.000 33.426) 46.303 1.996 ( 41.972 0.000 22.926) 47.826 3.054 ( 66.845 0.000 29.158) 72.927 4.854 ( -2.953 -0.000 22.548) 22.740 5.748 ( 5.422 0.000 3.995) 6.735 6.262 ( 8.541 0.000 -2.011) 8.774 7.738 ( -13.873 -0.000 14.528) 20.088 7.916 ( 20.894 0.000 0.530) 20.900 8.203 ( -8.006 -0.000 19.511) 21.089 9.496 ( 6.583 0.000 -2.185) 6.936 10.137 ( -5.907 -0.000 1.183) 6.024 10.139 ( 18.848 0.000 29.323) 34.858 10.501 ( 6.905 0.000 1.201) 7.009 10.906 ( 12.822 0.000 15.959) 20.471 11.107 ( 1.900 0.000 4.585) 4.963 11.520 ( 0.462 0.000 0.428) 0.630 12.627 ( -7.174 -0.000 3.162) 7.840 12.847 ( 10.267 0.000 1.379) 10.359 13.372 ( -23.595 -0.000 -3.516) 23.855 14.129 ( -42.293 -0.000 -6.773) 42.832 15.327 ( -7.364 -0.000 -3.970) 8.366 16.661 ( 18.986 0.000 -7.957) 20.586 16.852 ( 13.743 0.000 -5.152) 14.677 19.439 ( -6.659 -0.000 -16.106) 17.428 ======================= Grid point 118 (39/279) ======================= q-point: ( 0.20 0.10 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( 31.396 -10.050 24.214) 40.903 2.710 ( 40.507 -1.903 13.365) 42.698 4.214 ( 53.063 -14.895 12.001) 56.405 4.857 ( 4.118 -1.651 24.316) 24.717 5.780 ( 4.978 12.153 4.153) 13.774 6.493 ( 11.939 -14.711 1.231) 18.986 7.462 ( -15.658 3.787 17.060) 23.464 8.081 ( -6.401 -0.997 17.238) 18.415 8.354 ( 31.783 2.051 1.101) 31.868 9.638 ( 7.298 1.273 -5.870) 9.452 10.060 ( -6.077 -7.487 1.029) 9.698 10.475 ( 15.113 -5.760 26.171) 30.765 10.643 ( 7.047 -4.422 -4.256) 9.345 11.104 ( -0.650 -0.248 11.018) 11.040 11.168 ( 13.849 -5.238 19.903) 24.806 11.502 ( 4.470 7.406 1.272) 8.743 12.419 ( -16.039 3.442 3.189) 16.711 12.677 ( -27.360 19.176 -0.402) 33.413 13.193 ( 13.619 5.957 -1.363) 14.927 13.480 ( -39.163 -11.385 -5.332) 41.131 15.189 ( -9.268 -1.060 -3.803) 10.074 16.725 ( 11.349 22.419 -7.497) 26.222 17.266 ( 15.019 -18.379 -6.725) 24.669 19.316 ( -10.327 -2.718 -17.192) 20.239 ======================= Grid point 119 (40/279) ======================= q-point: ( 0.30 0.10 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.058 ( 24.704 -11.756 16.307) 31.850 3.356 ( 33.176 -1.564 7.578) 34.067 4.781 ( 8.085 -1.972 11.314) 14.045 5.250 ( 22.510 -12.906 13.894) 29.433 5.639 ( 5.358 22.068 6.477) 23.615 6.965 ( 4.270 -7.394 4.441) 9.624 7.282 ( 11.644 -15.496 17.876) 26.367 8.019 ( -3.644 -2.978 16.556) 17.211 8.891 ( 35.697 4.895 0.689) 36.037 9.585 ( -9.036 5.071 -2.259) 10.605 10.144 ( 0.644 -10.589 -3.274) 11.102 10.705 ( 0.668 -5.170 20.630) 21.278 10.873 ( 11.763 -10.926 -9.485) 18.647 11.096 ( 1.358 3.111 12.165) 12.630 11.433 ( 7.543 2.229 5.985) 9.883 11.601 ( 14.791 -5.424 17.211) 23.333 11.723 ( -34.036 26.982 -1.760) 43.469 12.179 ( -17.177 4.694 8.091) 19.559 12.991 ( -30.406 -12.736 -4.054) 33.214 13.399 ( 13.659 13.581 -0.305) 19.264 15.082 ( -7.476 -6.858 -4.067) 10.930 16.577 ( 5.080 25.325 -7.288) 26.838 17.702 ( 11.613 -16.523 -7.007) 21.377 19.159 ( -12.740 -3.861 -16.837) 21.464 ======================= Grid point 120 (41/279) ======================= q-point: ( 0.40 0.10 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.481 ( 11.540 -6.240 11.033) 17.142 3.812 ( 20.262 2.641 4.156) 20.852 4.906 ( 7.874 2.169 15.218) 17.271 5.315 ( -4.858 10.495 5.420) 12.772 5.733 ( 17.082 5.628 9.342) 20.267 6.784 ( -8.506 4.702 14.917) 17.803 7.942 ( 3.836 -5.904 9.865) 12.120 8.273 ( 33.692 -32.843 12.733) 48.744 9.238 ( -19.361 2.825 -0.730) 19.580 9.396 ( 21.212 4.835 0.843) 21.772 10.145 ( -10.763 13.231 -3.483) 17.408 10.506 ( -14.436 12.753 15.989) 25.034 10.886 ( -7.624 -0.374 -3.828) 8.540 11.247 ( 11.161 -5.156 3.360) 12.745 11.280 ( 9.162 0.044 0.427) 9.172 11.523 ( 6.135 4.109 0.890) 7.437 11.808 ( -16.400 3.079 8.113) 18.554 12.043 ( 12.859 -16.428 21.183) 29.732 12.738 ( -18.392 -16.151 -3.633) 24.745 13.298 ( 2.729 27.735 2.450) 27.977 15.138 ( -0.204 -12.949 -4.726) 13.786 16.317 ( -0.272 24.235 -6.610) 25.122 18.014 ( 4.843 -11.030 -6.629) 13.750 19.007 ( -11.484 -6.719 -16.189) 20.955 ======================= Grid point 121 (42/279) ======================= q-point: (-0.50 0.10 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.560 ( -3.510 4.982 8.473) 10.437 3.895 ( 0.712 14.432 5.070) 15.313 4.966 ( 5.622 7.579 13.100) 16.145 5.176 ( 0.088 4.983 5.113) 7.140 5.851 ( 9.503 12.601 12.591) 20.191 6.728 ( 3.827 -4.504 14.018) 15.213 7.980 ( -0.781 -1.900 11.607) 11.787 8.647 ( -47.212 5.483 1.862) 47.565 8.893 ( -7.472 15.298 6.146) 18.101 9.468 ( 14.981 -8.627 1.738) 17.374 10.104 ( 29.727 -3.376 -1.606) 29.961 10.355 ( -2.690 -0.631 15.939) 16.177 10.896 ( 0.995 -4.541 -5.758) 7.401 11.272 ( 2.590 8.566 12.487) 15.363 11.387 ( -11.801 8.734 5.742) 15.764 11.531 ( 5.914 4.111 -3.771) 8.129 11.755 ( 9.368 -13.258 -3.230) 16.552 12.423 ( 6.163 -15.391 17.039) 23.774 12.810 ( 0.890 -11.084 -2.868) 11.483 12.884 ( -7.276 21.641 3.411) 23.084 15.326 ( 4.923 -8.997 -4.745) 11.300 16.038 ( -2.978 15.855 -5.449) 17.028 18.072 ( -7.622 -1.795 -7.075) 10.553 18.987 ( -3.835 -12.488 -14.084) 19.210 ======================= Grid point 122 (43/279) ======================= q-point: (-0.40 0.10 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.247 ( -15.309 19.916 5.963) 25.818 3.559 ( -11.098 24.294 12.971) 29.692 4.882 ( -4.105 10.277 6.091) 12.632 5.141 ( -3.610 2.617 7.659) 8.862 5.778 ( 8.485 20.758 16.279) 27.711 6.991 ( 14.249 -8.989 11.802) 20.570 7.597 ( -41.541 20.682 4.999) 46.673 8.032 ( -6.034 -3.933 9.769) 12.137 8.422 ( -16.878 12.835 8.002) 22.664 9.805 ( 14.327 2.838 0.172) 14.606 10.169 ( -9.453 0.166 15.206) 17.905 10.901 ( 6.711 -5.965 -2.723) 9.382 10.963 ( -3.865 -0.363 0.591) 3.927 11.067 ( 12.911 -11.457 4.736) 17.899 11.291 ( 7.815 12.371 8.105) 16.727 11.543 ( 7.297 0.105 0.226) 7.302 12.075 ( 4.402 -3.454 -3.395) 6.544 12.237 ( -7.188 26.480 7.292) 28.390 12.678 ( -1.435 -12.217 8.955) 15.215 13.260 ( 12.949 -25.512 -6.032) 29.239 15.443 ( 6.445 6.534 -3.653) 9.878 15.915 ( -1.889 -3.606 -4.638) 6.171 17.840 ( -16.647 4.309 -7.915) 18.929 19.137 ( 1.180 -14.374 -10.934) 18.099 ======================= Grid point 123 (44/279) ======================= q-point: (-0.30 0.10 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( -18.689 30.831 6.815) 36.691 2.982 ( -17.522 32.208 18.681) 41.150 4.433 ( -27.485 28.183 6.141) 39.842 4.974 ( -1.589 9.765 20.836) 23.066 5.761 ( 12.648 12.379 10.034) 20.344 6.727 ( -26.476 14.500 0.583) 30.192 7.430 ( 13.461 -10.272 12.455) 21.020 7.887 ( -13.619 0.398 1.571) 13.715 8.190 ( -1.151 0.483 18.737) 18.779 9.886 ( 3.313 10.772 4.943) 12.307 10.036 ( -2.570 1.000 12.303) 12.608 10.639 ( -12.690 5.041 8.506) 16.087 10.931 ( 0.022 9.493 0.157) 9.494 11.194 ( -3.529 4.414 2.522) 6.188 11.303 ( 4.297 8.559 -0.832) 9.614 11.526 ( -13.323 31.657 8.610) 35.409 12.190 ( 26.908 -29.907 -1.092) 40.245 12.413 ( 8.954 -9.513 -2.927) 13.388 12.763 ( -1.181 -9.950 4.298) 10.903 13.790 ( 12.574 -25.998 -7.842) 29.925 15.447 ( 7.338 9.233 -2.417) 12.039 16.004 ( 1.125 -9.129 -4.553) 10.264 17.453 ( -20.218 7.826 -7.699) 23.007 19.331 ( 2.145 -12.894 -8.128) 15.392 ======================= Grid point 124 (45/279) ======================= q-point: (-0.20 0.10 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -12.917 37.779 12.901) 41.959 2.232 ( -20.968 38.724 18.748) 47.862 3.449 ( -26.436 51.219 30.852) 65.377 4.892 ( 0.476 3.771 18.933) 19.311 5.848 ( 11.261 7.978 4.338) 14.467 6.262 ( -15.619 7.309 -0.798) 17.262 7.555 ( -8.030 -4.257 -3.156) 9.621 7.876 ( 9.320 -3.328 16.053) 18.858 8.226 ( 0.612 -5.161 19.206) 19.897 9.754 ( -2.252 7.388 15.279) 17.120 9.972 ( 0.472 13.127 6.175) 14.514 10.439 ( -4.258 4.576 12.141) 13.656 10.708 ( -5.987 17.171 3.865) 18.591 10.969 ( -4.844 14.160 0.788) 14.986 11.115 ( -7.555 11.335 -2.148) 13.791 11.303 ( 2.395 1.383 3.460) 4.429 12.504 ( -3.066 -8.024 -4.829) 9.854 12.690 ( 3.723 -6.414 6.133) 9.624 13.198 ( 21.899 -26.235 -5.914) 34.682 14.262 ( 5.267 -28.119 -8.038) 29.716 15.489 ( 6.719 4.332 -2.699) 8.438 16.122 ( 3.827 -2.440 -4.716) 6.545 17.011 ( -18.351 10.065 -6.806) 22.009 19.503 ( 2.097 -9.776 -5.639) 11.479 ======================= Grid point 125 (46/279) ======================= q-point: (-0.10 0.10 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 470 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -0.000 36.751 24.746) 44.306 1.489 ( -0.000 41.335 23.370) 47.484 2.549 ( -0.000 56.242 53.256) 77.456 4.894 ( 0.000 -3.288 20.211) 20.476 5.934 ( -0.000 9.715 -1.885) 9.896 5.980 ( -0.000 3.565 0.312) 3.578 7.526 ( 0.000 -4.490 -2.021) 4.923 7.992 ( 0.000 -1.031 13.704) 13.743 8.312 ( 0.000 -6.344 20.448) 21.410 9.694 ( -0.000 2.091 23.001) 23.095 9.728 ( -0.000 20.324 3.920) 20.698 10.367 ( -0.000 2.908 15.273) 15.547 10.469 ( -0.000 14.063 3.413) 14.472 10.815 ( -0.000 11.231 -5.216) 12.383 10.886 ( -0.000 6.954 -1.879) 7.203 11.341 ( 0.000 -4.857 6.198) 7.875 12.534 ( 0.000 -4.070 -5.232) 6.629 12.780 ( 0.000 -3.918 7.345) 8.325 13.702 ( 0.000 -21.326 -9.894) 23.509 14.641 ( 0.000 -27.618 -6.207) 28.307 15.533 ( -0.000 0.572 -4.250) 4.289 16.138 ( -0.000 4.987 -4.961) 7.034 16.710 ( -0.000 9.607 -5.755) 11.199 19.611 ( 0.000 -3.747 -6.012) 7.084 ======================= Grid point 128 (47/279) ======================= q-point: ( 0.20 0.20 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 471 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( 29.142 0.000 17.141) 33.809 3.369 ( 37.238 0.000 7.313) 37.949 4.742 ( 15.154 0.000 7.821) 17.053 5.081 ( 24.080 0.000 19.153) 30.769 6.047 ( 12.667 0.000 1.539) 12.760 6.623 ( 22.248 0.000 8.617) 23.859 7.225 ( -14.759 -0.000 20.084) 24.924 7.978 ( -4.657 -0.000 15.708) 16.383 8.958 ( 36.929 0.000 0.409) 36.931 9.758 ( -19.908 -0.000 -1.016) 19.934 9.878 ( 15.596 0.000 -11.553) 19.409 10.648 ( 6.011 0.000 27.186) 27.842 10.729 ( 7.142 0.000 -10.290) 12.526 11.133 ( 6.348 0.000 15.732) 16.964 11.369 ( 13.278 0.000 19.681) 23.741 11.639 ( 6.958 0.000 4.213) 8.134 12.127 ( -22.836 -0.000 -0.310) 22.838 12.373 ( -25.230 -0.000 5.129) 25.746 12.633 ( -43.262 -0.000 -3.195) 43.380 13.582 ( 22.920 0.000 -2.018) 23.009 14.992 ( -12.851 -0.000 -3.668) 13.364 17.078 ( 5.495 0.000 -8.280) 9.938 17.318 ( 12.708 0.000 -6.231) 14.153 19.092 ( -14.307 -0.000 -17.678) 22.742 ======================= Grid point 129 (48/279) ======================= q-point: ( 0.30 0.20 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.348 ( 19.538 -3.595 11.298) 22.854 3.910 ( 29.052 3.840 3.475) 29.510 4.950 ( 14.050 0.915 12.787) 19.020 5.335 ( 0.817 -3.209 6.054) 6.900 6.142 ( 17.476 19.885 2.489) 26.590 6.923 ( -7.367 7.639 19.480) 22.183 7.399 ( 35.162 -29.061 13.220) 47.494 7.934 ( -2.029 -2.690 14.883) 15.259 9.312 ( -29.854 2.484 -1.325) 29.987 9.520 ( 30.398 3.896 -0.570) 30.652 10.188 ( 15.884 -2.159 -8.266) 18.036 10.658 ( -2.352 0.831 15.316) 15.518 10.921 ( 9.076 -9.462 -11.913) 17.715 11.229 ( -0.889 13.966 10.128) 17.274 11.501 ( -18.318 15.577 6.268) 24.849 11.597 ( 11.214 -1.387 10.998) 15.768 11.795 ( 7.175 -3.629 9.419) 12.384 11.903 ( -19.811 4.270 9.536) 22.398 12.247 ( -27.318 -22.585 0.792) 35.454 13.865 ( 18.116 16.923 -1.389) 24.829 14.828 ( -10.644 -10.975 -3.782) 15.750 16.930 ( 0.299 24.050 -6.878) 25.016 17.653 ( 7.955 -17.719 -6.201) 20.389 18.848 ( -17.670 -4.777 -16.942) 24.941 ======================= Grid point 130 (49/279) ======================= q-point: ( 0.40 0.20 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 852 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.597 ( 6.779 -0.579 8.507) 10.893 4.207 ( 15.578 11.578 1.842) 19.497 5.170 ( 12.888 5.851 7.937) 16.227 5.264 ( -4.384 2.279 5.340) 7.275 6.242 ( 21.287 17.853 7.798) 28.856 6.714 ( -5.116 5.783 20.582) 21.982 7.909 ( -0.494 -3.291 11.397) 11.873 8.444 ( 26.579 -32.559 9.361) 43.060 8.725 ( -30.025 -0.136 0.532) 30.030 9.757 ( 3.508 16.303 -1.406) 16.735 10.373 ( 8.231 4.619 11.150) 14.609 10.406 ( -11.567 22.247 4.028) 25.395 10.833 ( 3.344 0.090 -12.235) 12.684 11.292 ( 11.377 -16.017 -13.305) 23.728 11.423 ( -5.607 3.971 13.499) 15.147 11.578 ( -6.700 5.132 14.130) 16.459 11.750 ( 10.269 6.580 2.043) 12.366 12.074 ( 7.713 -20.120 10.367) 23.912 12.190 ( -9.359 -20.750 6.291) 23.617 13.693 ( -0.724 33.590 0.107) 33.598 14.974 ( 4.180 -19.315 -4.112) 20.185 16.589 ( -4.125 26.611 -4.980) 27.385 17.911 ( -0.414 -11.779 -5.767) 13.121 18.655 ( -15.832 -13.258 -14.981) 25.512 ======================= Grid point 131 (50/279) ======================= q-point: (-0.50 0.20 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.586 ( -2.689 8.217 7.075) 11.172 4.115 ( -1.642 22.428 4.315) 22.899 5.109 ( -6.637 2.661 -1.989) 7.422 5.290 ( 11.695 14.713 10.511) 21.534 6.341 ( 16.517 25.875 15.850) 34.547 6.745 ( 9.252 -10.849 14.614) 20.417 7.917 ( -22.446 4.150 7.463) 24.015 7.940 ( -22.870 -0.589 5.877) 23.620 8.971 ( -13.095 25.748 5.199) 29.351 9.616 ( 19.435 -16.629 2.207) 25.674 10.174 ( -8.486 0.595 14.432) 16.752 10.594 ( 22.355 -2.275 -1.251) 22.506 10.962 ( 6.828 0.399 -10.024) 12.134 11.106 ( -16.632 3.013 11.298) 20.331 11.514 ( 3.826 6.851 12.053) 14.382 11.720 ( 12.027 -15.144 -13.770) 23.740 11.779 ( 7.099 11.346 0.843) 13.410 12.354 ( 2.656 -12.165 14.008) 18.742 12.522 ( 6.735 -33.010 -2.107) 33.755 13.157 ( -10.251 38.159 1.356) 39.535 15.318 ( 11.553 -14.274 -4.106) 18.817 16.203 ( -5.671 23.033 -2.466) 23.849 17.855 ( -15.136 -2.502 -7.972) 17.289 18.692 ( -5.895 -22.125 -9.428) 24.761 ======================= Grid point 132 (51/279) ======================= q-point: (-0.40 0.20 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 852 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.316 ( -7.291 22.423 4.578) 24.019 3.699 ( -10.422 28.427 10.102) 31.918 4.887 ( -9.352 13.174 -3.394) 16.509 5.270 ( 5.528 14.408 14.555) 21.213 6.240 ( 8.828 22.929 11.097) 26.959 7.122 ( -27.354 18.886 8.339) 34.270 7.160 ( 14.775 -12.745 13.977) 24.002 7.895 ( -7.540 -1.321 2.618) 8.091 8.367 ( -15.126 18.915 12.711) 27.352 10.009 ( -8.450 1.297 17.382) 19.370 10.088 ( 16.762 -2.062 -1.853) 16.990 10.712 ( -14.213 0.818 9.325) 17.019 11.055 ( 1.849 0.265 -1.901) 2.665 11.171 ( 13.949 -8.069 -6.358) 17.324 11.584 ( 15.741 -1.611 7.990) 17.726 11.712 ( 6.798 12.965 -0.397) 14.645 12.075 ( 7.346 -10.788 -9.581) 16.191 12.425 ( -7.105 17.526 6.768) 20.086 12.577 ( -4.821 7.554 4.311) 9.944 13.039 ( 4.981 -33.985 -5.926) 34.855 15.658 ( 15.184 -1.368 -3.670) 15.680 15.908 ( -3.274 9.507 -0.791) 10.086 17.547 ( -21.469 0.446 -8.786) 23.201 18.902 ( -2.160 -22.596 -4.577) 23.156 ======================= Grid point 133 (52/279) ======================= q-point: (-0.30 0.20 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( -4.211 35.055 4.306) 35.569 3.121 ( -13.191 35.037 11.961) 39.302 4.458 ( -11.518 30.579 5.264) 33.097 5.128 ( 0.962 16.251 20.154) 25.908 6.137 ( 4.825 13.236 4.288) 14.726 6.538 ( -10.465 20.668 8.428) 24.652 7.488 ( 0.355 -1.664 -1.996) 2.623 7.779 ( 3.997 -4.097 12.917) 14.128 8.117 ( -7.053 -1.833 19.279) 20.610 9.851 ( -6.334 2.776 19.591) 20.776 10.273 ( 8.110 8.112 -3.739) 12.065 10.546 ( 0.888 3.661 12.423) 12.982 10.977 ( -9.577 4.745 0.808) 10.718 11.231 ( 2.599 7.860 -5.500) 9.939 11.538 ( 4.170 20.233 0.892) 20.678 11.740 ( -9.653 34.552 2.027) 35.932 12.167 ( 9.615 -21.702 -3.080) 23.936 12.465 ( 9.879 -11.934 -1.827) 15.600 12.663 ( 4.938 -14.740 -0.434) 15.551 13.476 ( -2.344 -36.140 -6.484) 36.792 15.665 ( 2.094 11.119 0.458) 11.324 16.057 ( 13.869 -4.325 -4.891) 15.329 17.166 ( -20.345 2.827 -8.198) 22.116 19.133 ( -0.912 -20.584 -1.057) 20.631 ======================= Grid point 134 (53/279) ======================= q-point: (-0.20 0.20 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 471 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( -0.000 41.452 7.059) 42.048 2.501 ( -0.000 41.967 11.707) 43.569 3.854 ( -0.000 49.056 24.108) 54.660 4.976 ( -0.000 10.017 18.853) 21.349 6.092 ( -0.000 5.016 0.116) 5.017 6.216 ( -0.000 18.323 5.838) 19.231 7.432 ( 0.000 -1.989 -5.134) 5.506 7.963 ( 0.000 -0.899 16.838) 16.862 8.103 ( 0.000 -11.339 19.714) 22.742 9.758 ( -0.000 3.110 21.224) 21.451 10.209 ( -0.000 12.580 -1.803) 12.708 10.535 ( -0.000 14.040 16.942) 22.004 10.734 ( -0.000 5.872 -1.619) 6.091 11.131 ( -0.000 14.148 -6.431) 15.541 11.278 ( -0.000 26.544 0.969) 26.561 11.390 ( -0.000 10.513 1.561) 10.628 12.377 ( 0.000 -9.873 -5.029) 11.080 12.639 ( 0.000 -7.976 4.271) 9.047 13.078 ( 0.000 -28.614 -7.920) 29.690 13.867 ( 0.000 -36.343 -5.794) 36.802 15.593 ( -0.000 5.241 -0.699) 5.288 16.228 ( -0.000 1.499 -5.669) 5.863 16.905 ( -0.000 5.660 -7.207) 9.164 19.351 ( 0.000 -16.971 -0.247) 16.973 ======================= Grid point 139 (54/279) ======================= q-point: ( 0.30 0.30 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 470 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.583 ( 10.334 0.000 8.534) 13.402 4.370 ( 22.225 0.000 0.020) 22.225 5.174 ( -4.312 -0.000 0.503) 4.341 5.336 ( 17.604 0.000 14.694) 22.930 6.440 ( 2.909 0.000 -0.265) 2.921 6.973 ( 5.474 0.000 23.559) 24.187 7.813 ( 24.049 0.000 10.391) 26.198 7.923 ( 14.358 0.000 15.306) 20.987 8.738 ( -37.053 -0.000 -0.725) 37.060 9.942 ( 15.067 0.000 -3.126) 15.387 10.409 ( 5.477 0.000 15.728) 16.654 10.768 ( 16.153 0.000 -11.580) 19.875 10.980 ( 2.014 0.000 -9.943) 10.145 11.238 ( -20.990 -0.000 -7.048) 22.142 11.302 ( -22.051 -0.000 -5.563) 22.741 11.531 ( 2.794 0.000 18.679) 18.886 11.696 ( -8.097 -0.000 16.458) 18.342 11.786 ( 11.626 0.000 10.215) 15.477 12.063 ( 9.689 0.000 10.229) 14.089 14.368 ( 23.538 0.000 -2.070) 23.629 14.472 ( -18.054 -0.000 -3.194) 18.335 17.042 ( -6.830 -0.000 -4.727) 8.306 17.646 ( 6.248 0.000 -5.002) 8.004 18.481 ( -21.730 -0.000 -15.839) 26.890 ======================= Grid point 140 (55/279) ======================= q-point: (-0.60 0.30 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.686 ( 3.114 1.498 7.810) 8.540 4.580 ( 9.267 15.329 -1.064) 17.944 5.023 ( -10.004 -7.462 -0.809) 12.506 5.685 ( 24.163 13.500 10.488) 29.598 6.465 ( 1.294 -9.009 12.688) 15.615 6.944 ( 2.083 18.060 11.986) 21.775 7.858 ( -2.046 -1.853 10.286) 10.650 8.108 ( -22.568 10.997 3.938) 25.412 8.702 ( 29.425 -28.638 8.895) 42.013 9.927 ( -8.503 19.199 0.028) 20.998 10.276 ( -14.574 13.263 16.573) 25.749 10.685 ( 2.726 4.122 -0.204) 4.946 10.973 ( 6.367 0.232 -14.740) 16.058 11.082 ( -18.627 -7.325 5.399) 20.731 11.350 ( 12.276 -9.992 -15.231) 21.966 11.567 ( -0.422 -10.227 5.364) 11.556 11.819 ( 11.755 -5.969 11.978) 17.812 11.993 ( 10.619 -2.056 7.668) 13.259 12.234 ( 10.369 0.261 8.336) 13.306 13.966 ( -13.825 26.796 -1.947) 30.215 14.903 ( 17.980 -18.066 -3.013) 25.666 16.766 ( -8.833 19.539 -1.322) 21.483 17.744 ( -6.668 -6.259 -5.874) 10.870 18.206 ( -15.913 -14.399 -11.472) 24.335 ======================= Grid point 141 (56/279) ======================= q-point: (-0.50 0.30 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.653 ( -0.847 7.406 7.267) 10.410 4.321 ( -7.654 23.249 2.476) 24.601 5.038 ( 0.364 -1.020 -5.790) 5.890 5.725 ( 10.375 23.645 13.241) 29.019 6.615 ( -16.406 6.918 4.973) 18.486 6.810 ( 13.414 -16.172 14.753) 25.673 7.685 ( 1.487 28.744 9.643) 30.355 7.835 ( -4.758 -2.170 8.032) 9.584 9.050 ( -16.662 29.952 5.580) 34.726 9.705 ( 18.067 -22.201 1.856) 28.684 10.042 ( -7.540 1.167 16.277) 17.976 10.704 ( -10.357 -0.632 3.716) 11.022 10.880 ( -9.495 -13.050 6.812) 17.518 11.128 ( 15.579 2.938 -12.321) 20.079 11.633 ( 4.801 4.133 6.769) 9.271 11.733 ( 13.288 -14.324 -14.457) 24.305 12.074 ( 9.611 1.986 1.467) 9.923 12.196 ( 3.652 -12.990 3.639) 13.975 12.417 ( 8.282 -6.549 3.506) 11.126 13.370 ( -15.444 31.710 -0.987) 35.285 15.413 ( 20.503 -13.625 -3.905) 24.925 16.366 ( -7.548 22.504 2.180) 23.836 17.507 ( -22.706 -2.802 -9.683) 24.843 18.319 ( -3.738 -24.722 -3.152) 25.201 ======================= Grid point 142 (57/279) ======================= q-point: (-0.40 0.30 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.486 ( -1.586 16.925 6.383) 18.158 3.873 ( -8.338 28.182 5.121) 29.832 4.959 ( -1.134 14.069 -6.939) 15.728 5.580 ( 4.648 21.291 18.040) 28.291 6.262 ( -16.508 -1.065 2.161) 16.683 7.188 ( 11.610 5.223 7.924) 14.996 7.500 ( 18.918 23.995 19.857) 36.441 7.725 ( -11.067 -1.262 0.875) 11.173 8.342 ( -18.031 24.394 12.171) 32.685 9.901 ( -5.315 1.173 17.414) 18.244 10.293 ( 14.712 -10.989 -2.514) 18.534 10.523 ( -5.524 -3.827 10.021) 12.066 10.903 ( -10.141 -12.390 2.267) 16.170 11.358 ( 9.338 3.565 -10.586) 14.559 11.739 ( 10.843 -6.878 1.780) 12.963 12.075 ( 10.194 3.206 -4.046) 11.427 12.116 ( 10.401 5.808 -5.271) 13.027 12.336 ( -3.767 -10.191 1.717) 10.999 12.605 ( -6.835 -1.443 0.100) 6.986 12.803 ( -6.451 8.923 -3.286) 11.490 15.894 ( 19.690 -9.094 -5.045) 22.267 16.024 ( -3.396 18.743 4.267) 19.521 17.154 ( -22.044 -3.276 -9.246) 24.128 18.575 ( -1.772 -25.417 0.804) 25.491 ======================= Grid point 143 (58/279) ======================= q-point: (-0.30 0.30 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 470 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.216 ( -0.000 26.506 6.241) 27.231 3.415 ( -0.000 34.618 6.175) 35.164 4.706 ( -0.000 24.312 -2.037) 24.398 5.365 ( -0.000 20.896 20.658) 29.384 6.148 ( 0.000 -1.659 1.477) 2.221 6.939 ( -0.000 41.860 11.954) 43.534 7.481 ( -0.000 5.592 -8.394) 10.086 7.789 ( 0.000 -13.786 20.176) 24.436 8.004 ( -0.000 6.677 17.739) 18.954 9.829 ( -0.000 2.623 19.067) 19.247 10.343 ( -0.000 2.468 5.061) 5.631 10.747 ( 0.000 -6.484 -3.544) 7.389 10.793 ( -0.000 2.026 6.205) 6.527 11.348 ( -0.000 6.445 -6.187) 8.934 11.952 ( -0.000 30.479 0.542) 30.484 11.978 ( -0.000 28.192 -0.402) 28.195 12.029 ( 0.000 -17.829 -4.241) 18.326 12.410 ( 0.000 -11.178 -0.822) 11.208 12.534 ( 0.000 -13.462 -4.946) 14.342 13.015 ( 0.000 -32.165 -4.200) 32.438 15.809 ( -0.000 13.308 3.673) 13.806 16.186 ( 0.000 -4.940 -5.921) 7.712 16.955 ( 0.000 -1.375 -8.426) 8.538 18.854 ( 0.000 -24.170 2.096) 24.261 ======================= Grid point 150 (59/279) ======================= q-point: ( 0.40 -0.60 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 471 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.732 ( 1.084 0.000 7.835) 7.909 4.690 ( -15.497 -0.000 0.958) 15.527 4.931 ( 13.221 0.000 -6.095) 14.558 6.271 ( 29.064 0.000 7.827) 30.100 6.325 ( -4.583 -0.000 20.479) 20.986 6.724 ( -30.767 -0.000 2.801) 30.894 7.792 ( -4.793 -0.000 8.216) 9.512 8.270 ( 17.506 0.000 3.746) 17.902 8.935 ( 23.509 0.000 10.956) 25.937 9.913 ( -8.702 -0.000 4.601) 9.843 10.249 ( -26.237 -0.000 1.527) 26.281 10.254 ( -11.983 -0.000 14.881) 19.106 10.741 ( -15.712 -0.000 5.984) 16.813 11.231 ( 17.865 0.000 -12.452) 21.776 11.508 ( 14.052 0.000 -16.356) 21.563 11.657 ( 11.300 0.000 1.930) 11.463 11.971 ( 7.106 0.000 7.002) 9.976 12.078 ( 3.000 0.000 7.958) 8.505 12.468 ( 15.406 0.000 0.710) 15.423 13.808 ( -21.120 -0.000 -2.351) 21.250 15.195 ( 26.642 0.000 -3.272) 26.842 16.721 ( -10.225 -0.000 3.872) 10.933 17.464 ( -24.056 -0.000 -10.267) 26.155 17.941 ( -2.362 -0.000 -3.446) 4.178 ======================= Grid point 152 (60/279) ======================= q-point: (-0.50 0.40 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.718 ( 0.028 4.137 7.827) 8.853 4.390 ( -8.818 13.364 1.487) 16.080 5.135 ( 9.376 1.785 -9.201) 13.257 6.094 ( -3.904 15.048 16.590) 22.736 6.231 ( -19.380 4.813 6.928) 21.136 6.857 ( 17.917 -18.548 10.595) 27.880 7.690 ( -8.024 -0.898 4.850) 9.419 8.380 ( 22.740 34.017 6.045) 41.361 9.140 ( -14.724 31.595 7.602) 35.677 9.693 ( 9.919 -18.186 1.658) 20.781 9.958 ( -2.323 -3.734 15.252) 15.873 10.333 ( -16.581 -31.238 5.636) 35.812 10.512 ( -10.358 -0.723 9.275) 13.923 11.480 ( 15.855 6.779 -12.106) 21.069 11.770 ( 4.554 3.677 1.423) 6.024 11.817 ( 13.181 -9.717 -12.191) 20.415 12.049 ( -0.185 -6.139 -0.075) 6.143 12.132 ( -3.024 -8.020 1.129) 8.645 12.695 ( 17.109 9.347 -0.676) 19.507 13.356 ( -19.756 15.908 -1.630) 25.417 15.685 ( 24.570 -6.414 -4.748) 25.834 16.473 ( -6.455 15.441 7.307) 18.262 17.051 ( -24.906 -4.302 -9.863) 27.132 18.037 ( -0.325 -16.065 0.543) 16.077 ======================= Grid point 153 (61/279) ======================= q-point: (-0.40 0.40 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 471 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.634 ( -0.000 9.946 7.612) 12.524 4.101 ( -0.000 22.364 2.696) 22.525 5.130 ( -0.000 12.076 -10.247) 15.838 5.893 ( -0.000 23.349 20.769) 31.249 6.020 ( 0.000 -7.537 3.498) 8.310 7.260 ( 0.000 -17.767 11.405) 21.112 7.582 ( -0.000 1.840 -0.474) 1.900 8.251 ( -0.000 52.844 16.801) 55.451 8.386 ( -0.000 24.740 5.821) 25.415 9.860 ( 0.000 -1.333 14.519) 14.580 10.338 ( 0.000 -25.220 0.567) 25.227 10.352 ( 0.000 -6.434 3.592) 7.369 10.526 ( 0.000 -20.853 10.751) 23.461 11.529 ( -0.000 8.992 -9.487) 13.072 11.782 ( 0.000 -1.151 -3.441) 3.628 12.118 ( 0.000 -12.230 -7.098) 14.141 12.131 ( 0.000 -8.890 -4.875) 10.139 12.182 ( 0.000 -12.452 0.946) 12.488 12.744 ( -0.000 20.776 -0.623) 20.785 12.877 ( -0.000 19.839 -1.750) 19.916 16.026 ( 0.000 -7.266 -5.796) 9.294 16.202 ( -0.000 18.550 7.243) 19.914 16.861 ( 0.000 -5.840 -8.738) 10.510 18.269 ( 0.000 -23.173 2.319) 23.289 ======================= Grid point 163 (62/279) ======================= q-point: (-0.50 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.743 ( 0.000 -0.000 8.040) 8.040 4.389 ( 0.000 -0.000 1.007) 1.007 5.272 ( 0.000 -0.000 -12.030) 12.030 5.904 ( 0.000 -0.000 4.677) 4.677 6.294 ( 0.000 -0.000 26.764) 26.764 6.919 ( 0.000 -0.000 6.599) 6.599 7.597 ( 0.000 -0.000 3.660) 3.660 8.864 ( -0.000 0.000 -2.850) 2.850 9.416 ( 0.000 -0.000 12.745) 12.745 9.596 ( -0.000 0.000 6.646) 6.646 9.670 ( 0.000 -0.000 0.226) 0.226 10.019 ( 0.000 -0.000 18.504) 18.504 10.419 ( 0.000 -0.000 9.167) 9.167 11.697 ( 0.000 -0.000 -8.247) 8.247 11.846 ( 0.000 -0.000 -4.000) 4.000 11.930 ( 0.000 -0.000 -11.320) 11.320 11.959 ( 0.000 -0.000 -4.256) 4.256 11.999 ( 0.000 -0.000 1.744) 1.744 13.019 ( 0.000 -0.000 -1.178) 1.178 13.164 ( 0.000 -0.000 -1.339) 1.339 15.923 ( 0.000 -0.000 -5.649) 5.649 16.519 ( 0.000 -0.000 10.211) 10.211 16.737 ( 0.000 -0.000 -9.383) 9.383 17.939 ( 0.000 -0.000 1.077) 1.077 ======================= Grid point 210 (63/279) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 279 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 0.000 0.000 42.209) 42.209 2.036 ( 0.000 0.000 49.224) 49.224 3.107 ( 0.000 0.000 69.361) 69.361 5.542 ( 0.000 0.000 30.572) 30.572 5.790 ( 0.000 0.000 9.376) 9.376 5.962 ( 0.000 0.000 2.052) 2.052 7.591 ( 0.000 0.000 1.598) 1.598 8.339 ( 0.000 0.000 21.316) 21.316 8.941 ( 0.000 0.000 34.928) 34.928 9.688 ( 0.000 0.000 14.553) 14.553 10.293 ( 0.000 0.000 37.875) 37.875 10.419 ( 0.000 0.000 9.658) 9.658 10.489 ( 0.000 0.000 2.473) 2.473 10.752 ( 0.000 0.000 -3.802) 3.802 10.954 ( 0.000 0.000 26.153) 26.153 11.528 ( 0.000 0.000 1.049) 1.049 12.427 ( 0.000 0.000 -10.376) 10.376 13.059 ( 0.000 0.000 15.144) 15.144 13.663 ( 0.000 0.000 -20.602) 20.602 14.768 ( 0.000 0.000 -19.308) 19.308 15.372 ( 0.000 0.000 -9.988) 9.988 15.936 ( 0.000 0.000 -8.520) 8.520 16.412 ( 0.000 0.000 -9.697) 9.697 19.430 ( 0.000 0.000 -8.150) 8.150 ======================= Grid point 211 (64/279) ======================= q-point: ( 0.10 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 28.227 -14.377 33.770) 46.302 2.170 ( 16.726 0.296 43.387) 46.500 3.432 ( 19.610 -23.014 57.953) 65.366 5.445 ( -1.531 5.905 31.263) 31.853 5.848 ( -1.328 -5.327 11.013) 12.306 6.101 ( 11.634 -5.428 2.653) 13.109 7.656 ( 10.174 3.488 1.654) 10.882 8.286 ( -6.487 -0.243 22.714) 23.623 8.864 ( -6.406 3.117 34.263) 34.996 9.663 ( -5.705 -7.700 12.892) 16.064 10.353 ( -3.567 -1.415 12.625) 13.195 10.464 ( 5.710 -2.158 19.602) 20.531 10.565 ( 8.587 -8.585 15.397) 19.609 10.907 ( 14.092 -1.719 -5.302) 15.155 11.095 ( 13.787 -2.024 26.122) 29.606 11.484 ( -0.087 7.070 2.412) 7.471 12.474 ( 6.521 2.061 -9.814) 11.962 13.003 ( -4.399 3.623 12.895) 14.098 13.469 ( -14.157 11.429 -15.495) 23.899 14.457 ( -23.941 8.788 -17.118) 30.715 15.318 ( -5.642 -1.216 -8.066) 9.918 16.083 ( 12.579 5.824 -10.686) 17.503 16.561 ( 12.034 -9.881 -11.689) 19.470 19.353 ( -10.379 -3.101 -10.317) 14.960 ======================= Grid point 212 (65/279) ======================= q-point: ( 0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 852 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 25.893 -5.687 30.812) 40.647 2.771 ( 26.867 -21.122 26.722) 43.383 4.156 ( 29.222 -22.768 31.279) 48.484 5.422 ( 4.368 1.632 32.834) 33.163 5.854 ( -3.484 -2.769 14.671) 15.331 6.442 ( 17.235 -12.339 5.751) 21.963 7.834 ( 15.969 7.301 4.339) 18.087 8.142 ( -7.534 0.767 23.360) 24.556 8.703 ( -7.469 1.721 30.845) 31.783 9.703 ( -3.322 -9.960 9.400) 14.092 10.327 ( -4.840 -7.421 8.023) 11.952 10.564 ( 3.384 -6.241 5.261) 8.836 10.892 ( 14.349 -6.885 27.260) 31.566 11.157 ( 12.203 -0.854 -2.423) 12.471 11.361 ( -0.922 6.487 4.018) 7.686 11.444 ( 19.149 -5.181 27.518) 33.923 12.534 ( 2.634 6.386 -6.751) 9.659 12.728 ( -20.111 18.592 -4.349) 27.731 13.087 ( -4.842 9.572 5.783) 12.186 13.924 ( -27.944 5.256 -15.308) 32.292 15.230 ( -7.183 -2.419 -6.634) 10.073 16.125 ( 7.753 14.169 -11.376) 19.755 16.977 ( 17.800 -13.655 -14.237) 26.571 19.188 ( -12.930 -2.659 -15.374) 20.264 ======================= Grid point 213 (66/279) ======================= q-point: ( 0.30 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.110 ( 26.478 -8.984 19.996) 34.375 3.396 ( 17.414 -20.247 22.663) 35.025 4.777 ( 19.358 -9.742 9.112) 23.508 5.517 ( 9.107 7.106 23.618) 26.291 5.834 ( -5.726 -11.125 26.176) 29.013 6.986 ( 22.407 -19.075 9.890) 31.044 7.785 ( -4.204 6.358 26.315) 27.397 8.272 ( 21.528 4.408 4.439) 22.418 8.631 ( -0.475 -3.695 27.026) 27.282 9.727 ( -6.524 -5.953 7.041) 11.295 10.368 ( -3.547 -10.571 6.871) 13.097 10.756 ( 6.413 -11.826 0.074) 13.453 11.148 ( 7.295 -4.203 23.401) 24.869 11.210 ( 1.277 12.237 0.595) 12.318 11.321 ( 2.434 0.094 5.324) 5.855 11.914 ( 10.486 -6.849 20.988) 24.441 11.945 ( -22.532 16.654 3.258) 28.207 12.403 ( -5.901 12.586 0.413) 13.907 13.073 ( 7.520 6.912 7.423) 12.627 13.431 ( -23.169 4.111 -12.207) 26.509 15.154 ( -6.973 -5.868 -6.662) 11.289 16.034 ( 3.851 16.947 -11.939) 21.085 17.422 ( 16.616 -11.749 -14.999) 25.280 18.990 ( -12.574 -0.153 -20.033) 23.653 ======================= Grid point 214 (67/279) ======================= q-point: ( 0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 852 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.607 ( 19.840 -6.794 14.048) 25.241 3.797 ( 6.419 -12.683 16.679) 21.915 5.070 ( 8.407 -3.618 6.253) 11.085 5.463 ( 0.055 10.748 16.758) 19.908 5.964 ( 0.567 -12.920 30.221) 32.872 7.195 ( -6.271 5.089 18.850) 20.507 8.074 ( 20.917 -16.808 15.540) 31.009 8.562 ( 20.783 -6.605 18.392) 28.528 8.862 ( 21.586 -1.807 11.155) 24.365 9.606 ( -13.160 -1.997 6.775) 14.936 10.361 ( -16.682 -0.137 3.601) 17.067 10.804 ( -18.314 14.269 3.169) 23.432 11.006 ( -1.685 8.939 -2.146) 9.346 11.186 ( 1.533 -12.620 2.883) 13.036 11.303 ( 6.886 0.402 17.436) 18.751 11.574 ( 1.140 0.651 9.311) 9.403 12.058 ( -9.484 13.143 2.185) 16.354 12.470 ( 14.700 -18.572 23.566) 33.412 12.971 ( -10.917 4.603 -3.829) 12.451 13.146 ( -0.627 12.568 6.377) 14.107 15.154 ( -3.558 -8.774 -8.544) 12.753 15.876 ( 0.709 14.521 -12.149) 18.946 17.787 ( 12.253 -7.846 -14.052) 20.227 18.784 ( -10.095 1.801 -23.946) 26.050 ======================= Grid point 215 (68/279) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 442 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.853 ( 0.000 0.000 17.589) 17.589 3.903 ( -0.000 -0.000 7.500) 7.500 5.165 ( 0.000 -0.000 6.508) 6.508 5.381 ( 0.000 -0.000 18.881) 18.881 6.059 ( 0.000 -0.000 29.943) 29.943 7.070 ( 0.000 -0.000 20.237) 20.237 8.284 ( 0.000 -0.000 14.808) 14.808 9.142 ( -0.000 0.000 21.984) 21.984 9.191 ( -0.000 -0.000 0.367) 0.367 9.490 ( -0.000 0.000 10.659) 10.659 9.693 ( 0.000 -0.000 0.719) 0.719 10.664 ( 0.000 -0.000 11.422) 11.422 10.931 ( 0.000 -0.000 -7.697) 7.697 11.303 ( 0.000 -0.000 15.719) 15.719 11.515 ( 0.000 -0.000 -0.191) 0.191 11.516 ( -0.000 0.000 9.386) 9.386 11.826 ( -0.000 -0.000 5.569) 5.569 12.830 ( 0.000 -0.000 -6.693) 6.693 12.848 ( -0.000 0.000 21.050) 21.050 12.947 ( 0.000 -0.000 14.831) 14.831 15.194 ( 0.000 0.000 -9.932) 9.932 15.778 ( 0.000 -0.000 -12.042) 12.042 17.956 ( 0.000 -0.000 -12.264) 12.264 18.669 ( 0.000 -0.000 -26.664) 26.664 ======================= Grid point 222 (69/279) ======================= q-point: ( 0.10 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 470 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 29.020 0.000 31.523) 42.846 2.566 ( 27.356 0.000 33.075) 42.922 3.810 ( 39.315 0.000 42.916) 58.202 5.443 ( -0.482 -0.000 36.968) 36.971 5.873 ( 4.961 0.000 8.984) 10.262 6.270 ( 12.932 0.000 3.960) 13.525 7.938 ( 21.110 0.000 1.860) 21.192 8.138 ( -10.662 -0.000 25.368) 27.517 8.727 ( -10.860 -0.000 32.308) 34.085 9.574 ( 0.640 0.000 10.239) 10.259 10.194 ( -9.185 -0.000 4.516) 10.236 10.508 ( 0.973 0.000 -0.200) 0.994 10.812 ( 20.361 0.000 38.230) 43.314 11.141 ( 12.448 0.000 -1.319) 12.518 11.332 ( 14.758 0.000 24.306) 28.435 11.556 ( 3.524 0.000 5.370) 6.423 12.606 ( 4.629 0.000 -6.535) 8.009 12.927 ( -6.875 -0.000 4.560) 8.249 13.272 ( -14.784 -0.000 -3.962) 15.305 13.931 ( -39.139 -0.000 -13.373) 41.361 15.211 ( -7.047 -0.000 -7.804) 10.515 16.436 ( 17.301 0.000 -14.655) 22.674 16.681 ( 12.969 0.000 -12.197) 17.803 19.122 ( -13.450 -0.000 -15.316) 20.383 ======================= Grid point 223 (70/279) ======================= q-point: ( 0.20 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( 24.812 -6.412 27.791) 37.803 3.068 ( 29.667 -2.661 22.189) 37.143 4.526 ( 32.940 -8.444 18.510) 38.716 5.504 ( 6.627 -3.277 38.729) 39.428 5.909 ( 4.686 9.665 9.177) 14.128 6.593 ( 19.351 -12.011 11.040) 25.311 7.923 ( -11.343 3.652 28.662) 31.040 8.355 ( 26.128 2.144 2.967) 26.383 8.568 ( -4.909 -1.477 26.742) 27.229 9.636 ( 3.113 -1.309 6.508) 7.332 10.076 ( -11.141 -9.617 1.035) 14.754 10.557 ( 2.682 -4.484 -2.372) 5.738 11.107 ( 11.876 -0.051 32.053) 34.182 11.310 ( 8.663 -0.087 10.265) 13.432 11.478 ( 4.450 5.749 5.137) 8.902 11.708 ( 16.619 -2.162 25.808) 30.772 12.431 ( -23.393 10.863 -3.591) 26.041 12.682 ( -12.391 11.963 0.144) 17.225 13.194 ( 4.901 3.404 2.423) 6.440 13.332 ( -30.517 -9.291 -8.758) 33.081 15.079 ( -9.235 -1.242 -7.397) 11.897 16.508 ( 10.643 20.930 -14.451) 27.571 17.063 ( 14.709 -17.509 -13.997) 26.811 18.916 ( -14.083 -3.649 -21.642) 26.078 ======================= Grid point 224 (71/279) ======================= q-point: ( 0.30 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.450 ( 18.871 -9.376 21.869) 30.369 3.566 ( 25.370 -2.104 13.525) 28.826 4.983 ( 14.204 -3.882 8.521) 17.013 5.668 ( -2.711 -4.931 24.272) 24.916 5.859 ( 14.572 14.148 18.119) 27.218 7.154 ( 20.070 -10.944 16.423) 28.148 7.762 ( 2.064 -4.027 29.753) 30.095 8.437 ( -3.453 -4.277 23.756) 24.384 8.921 ( 33.798 4.138 2.699) 34.157 9.594 ( -9.186 2.197 4.745) 10.570 10.088 ( -6.058 -16.288 -2.238) 17.521 10.727 ( 6.220 -11.588 -4.824) 14.009 11.154 ( -4.110 1.780 18.880) 19.404 11.363 ( -6.105 13.560 14.253) 20.598 11.477 ( 7.589 9.300 1.811) 12.139 11.746 ( -17.344 17.730 7.318) 25.859 12.071 ( 14.932 -10.159 26.312) 31.914 12.356 ( -13.958 6.702 8.660) 17.741 12.878 ( -27.609 -11.628 -6.981) 30.760 13.415 ( 14.533 9.768 2.785) 17.730 14.965 ( -8.073 -6.205 -7.770) 12.808 16.367 ( 5.271 24.464 -13.838) 28.597 17.499 ( 12.542 -16.239 -13.669) 24.655 18.727 ( -14.606 -5.059 -25.472) 29.795 ======================= Grid point 225 (72/279) ======================= q-point: ( 0.40 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.766 ( 6.480 -5.982 16.893) 19.056 3.935 ( 17.768 2.573 8.364) 19.806 5.168 ( 6.021 0.301 7.012) 9.247 5.504 ( -7.606 7.170 15.906) 19.033 6.082 ( 18.395 3.643 25.890) 31.968 7.178 ( -5.036 8.250 24.137) 26.000 8.184 ( 10.127 -9.171 14.528) 19.943 8.659 ( 21.461 -24.441 25.306) 41.211 9.231 ( -15.715 2.504 0.315) 15.917 9.462 ( 18.718 2.597 6.727) 20.058 10.106 ( -9.848 7.281 -0.207) 12.249 10.647 ( -17.735 11.581 -3.134) 21.412 11.025 ( -5.706 -3.148 15.007) 16.361 11.100 ( 7.133 -8.330 -2.779) 11.313 11.502 ( 8.457 9.400 6.465) 14.201 11.670 ( 5.166 5.497 16.807) 18.423 11.988 ( -14.079 8.544 9.168) 18.849 12.462 ( 5.695 -18.039 15.755) 24.618 12.667 ( -12.201 -12.161 1.594) 17.300 13.388 ( 2.993 21.315 7.262) 22.716 15.001 ( -0.436 -12.058 -9.185) 15.164 16.129 ( 1.324 23.964 -12.285) 26.962 17.829 ( 5.979 -10.603 -11.926) 17.041 18.570 ( -11.103 -7.458 -27.137) 30.254 ======================= Grid point 226 (73/279) ======================= q-point: (-0.50 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.772 ( -6.849 5.276 12.227) 14.975 4.057 ( 4.872 9.576 11.653) 15.850 5.164 ( -4.038 4.050 2.280) 6.157 5.362 ( -0.739 2.465 17.267) 17.458 6.294 ( 15.719 13.620 31.538) 37.779 7.082 ( 2.485 -1.697 20.346) 20.567 8.248 ( -3.555 -0.803 13.913) 14.382 8.692 ( -42.384 2.200 3.258) 42.566 9.150 ( -8.955 14.531 21.008) 27.068 9.569 ( 13.405 -6.001 9.245) 17.354 10.076 ( 29.174 -6.059 -0.857) 29.809 10.627 ( 4.914 -5.892 4.146) 8.721 10.902 ( -5.377 -0.308 11.271) 12.492 11.378 ( 8.255 -1.217 -3.953) 9.233 11.516 ( -8.049 9.939 7.158) 14.656 11.561 ( 3.082 3.118 9.894) 10.822 11.799 ( 0.069 -2.756 6.932) 7.460 12.689 ( -0.675 -21.002 -8.139) 22.534 12.788 ( 2.526 -11.721 18.852) 22.342 13.038 ( -9.229 25.664 11.808) 29.720 15.188 ( 5.885 -8.808 -9.264) 14.073 15.886 ( 0.006 16.880 -9.719) 19.478 17.866 ( -9.879 -1.039 -13.913) 17.095 18.613 ( 2.178 -12.437 -22.765) 26.032 ======================= Grid point 227 (74/279) ======================= q-point: (-0.40 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.435 ( -16.142 16.571 12.865) 26.470 3.870 ( -7.687 18.228 17.724) 26.561 4.961 ( -11.709 6.506 2.339) 13.598 5.388 ( 2.488 -0.867 16.345) 16.556 6.252 ( 6.695 21.400 29.665) 37.186 7.272 ( 7.707 -1.054 16.329) 18.087 7.820 ( -33.691 12.775 17.477) 40.047 8.170 ( -14.052 -3.355 5.429) 15.433 8.770 ( -7.293 10.015 26.183) 28.967 9.847 ( 12.108 2.194 4.832) 13.220 10.499 ( 1.213 0.442 14.783) 14.839 10.891 ( 6.401 -7.100 4.035) 10.377 10.953 ( 5.639 -12.004 -2.115) 13.430 11.243 ( -0.274 4.891 11.728) 12.710 11.390 ( 5.139 12.121 3.550) 13.636 11.601 ( 5.431 -1.506 4.766) 7.381 12.008 ( 5.659 -15.579 -2.850) 16.818 12.469 ( -16.190 26.670 16.446) 35.269 12.872 ( -4.290 -10.444 8.832) 14.335 13.095 ( 9.454 -22.628 -9.670) 26.361 15.338 ( 8.477 5.254 -6.966) 12.165 15.786 ( 0.752 -0.260 -8.138) 8.177 17.603 ( -17.734 3.618 -16.187) 24.281 18.858 ( 8.102 -11.669 -16.503) 21.775 ======================= Grid point 228 (75/279) ======================= q-point: (-0.30 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( -17.517 21.801 19.181) 33.912 3.370 ( -19.536 26.811 19.956) 38.713 4.622 ( -14.720 14.371 12.424) 24.032 5.406 ( -0.403 1.610 20.248) 20.316 6.103 ( 4.355 16.940 22.456) 28.464 6.844 ( -22.184 22.462 15.719) 35.267 7.645 ( -8.657 -8.010 6.596) 13.514 8.081 ( 4.352 -4.100 19.740) 20.626 8.668 ( -0.228 -0.487 28.811) 28.816 9.956 ( 9.244 8.958 4.865) 13.761 10.420 ( -3.914 2.616 22.043) 22.540 10.803 ( -5.257 9.656 6.480) 12.762 10.992 ( -3.472 -1.346 5.858) 6.942 11.231 ( -3.995 6.359 2.684) 7.975 11.325 ( 1.797 7.083 3.685) 8.184 11.793 ( -19.816 22.168 19.048) 35.311 12.145 ( 24.269 -25.981 -3.643) 35.739 12.312 ( 4.746 -11.553 -7.048) 14.341 12.883 ( -4.808 -8.783 7.233) 12.353 13.565 ( 11.522 -24.499 -14.922) 30.913 15.379 ( 9.024 10.436 -4.453) 14.497 15.875 ( 2.237 -7.346 -8.449) 11.417 17.221 ( -20.062 6.611 -15.807) 26.382 19.128 ( 9.304 -8.732 -11.906) 17.452 ======================= Grid point 229 (76/279) ======================= q-point: (-0.20 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( -11.547 21.449 29.380) 38.165 2.651 ( -22.387 30.715 23.661) 44.771 4.132 ( -11.694 28.860 34.622) 46.565 5.363 ( -1.239 1.180 25.559) 25.616 6.018 ( 3.602 9.112 11.328) 14.977 6.342 ( -11.078 15.910 14.663) 24.308 7.529 ( -10.036 -6.006 0.598) 11.711 8.277 ( 8.648 -1.573 24.114) 25.666 8.735 ( 2.048 -7.102 31.215) 32.078 9.956 ( 7.677 14.240 7.872) 17.992 10.347 ( -3.631 -0.173 25.974) 26.227 10.650 ( -0.006 8.449 8.081) 11.691 10.834 ( -5.748 12.184 9.290) 16.364 11.036 ( -6.530 9.139 1.176) 11.293 11.227 ( -16.851 12.465 20.791) 29.523 11.345 ( 1.317 -0.371 1.597) 2.103 12.366 ( -4.599 -7.510 -9.360) 12.851 12.808 ( 10.749 -14.392 2.163) 18.093 13.045 ( 8.859 -19.988 -6.484) 22.804 14.028 ( 7.493 -26.555 -15.603) 31.698 15.410 ( 6.811 7.132 -5.165) 11.132 15.987 ( 3.298 -2.227 -8.976) 9.818 16.805 ( -17.283 8.606 -13.913) 23.798 19.358 ( 7.660 -5.132 -8.960) 12.857 ======================= Grid point 230 (77/279) ======================= q-point: (-0.10 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 470 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( -0.000 27.542 32.754) 42.794 2.092 ( -0.000 12.419 40.904) 42.748 3.636 ( -0.000 34.236 53.077) 63.161 5.373 ( 0.000 -5.061 27.041) 27.511 5.998 ( -0.000 3.110 1.715) 3.552 6.052 ( -0.000 15.081 16.346) 22.240 7.513 ( 0.000 -5.777 1.117) 5.884 8.350 ( -0.000 0.651 22.084) 22.094 8.853 ( 0.000 -7.217 33.494) 34.263 9.869 ( -0.000 13.628 10.433) 17.163 10.292 ( -0.000 0.550 34.732) 34.737 10.568 ( -0.000 8.614 7.590) 11.481 10.622 ( -0.000 11.607 5.798) 12.974 10.846 ( -0.000 10.475 -1.349) 10.561 10.978 ( -0.000 1.907 24.202) 24.277 11.406 ( 0.000 -6.021 2.088) 6.373 12.381 ( 0.000 -3.899 -10.233) 10.951 12.979 ( 0.000 -6.859 12.279) 14.065 13.417 ( 0.000 -19.414 -18.963) 27.138 14.421 ( 0.000 -25.693 -15.984) 30.259 15.412 ( -0.000 3.732 -7.725) 8.579 15.996 ( -0.000 4.074 -9.338) 10.188 16.539 ( -0.000 8.099 -11.446) 14.021 19.467 ( 0.000 -0.453 -8.848) 8.860 ======================= Grid point 233 (78/279) ======================= q-point: ( 0.20 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 471 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.314 ( 20.825 0.000 22.984) 31.015 3.572 ( 29.443 0.000 12.929) 32.156 4.922 ( 18.542 0.000 10.054) 21.092 5.586 ( 4.638 0.000 29.400) 29.764 6.121 ( 9.735 0.000 6.334) 11.614 6.927 ( 32.576 0.000 23.830) 40.362 7.758 ( -10.004 -0.000 32.826) 34.317 8.380 ( -7.018 -0.000 23.347) 24.379 8.981 ( 36.480 0.000 1.836) 36.526 9.734 ( -21.411 -0.000 -1.372) 21.455 9.759 ( 9.834 0.000 0.568) 9.850 10.575 ( 3.740 0.000 -5.650) 6.775 11.170 ( -2.775 -0.000 21.948) 22.123 11.521 ( 12.517 0.000 23.714) 26.815 11.601 ( 6.215 0.000 4.668) 7.773 11.925 ( 10.086 0.000 23.007) 25.121 12.104 ( -24.425 -0.000 -0.984) 24.445 12.525 ( -15.983 -0.000 9.163) 18.423 12.552 ( -37.500 -0.000 -4.236) 37.738 13.545 ( 21.904 0.000 -0.854) 21.921 14.885 ( -12.540 -0.000 -7.197) 14.458 16.844 ( 6.684 0.000 -15.293) 16.689 17.132 ( 12.962 0.000 -12.819) 18.230 18.646 ( -15.580 -0.000 -25.877) 30.205 ======================= Grid point 234 (79/279) ======================= q-point: ( 0.30 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.638 ( 13.996 -3.476 17.280) 22.507 4.009 ( 23.742 2.636 6.584) 24.779 5.159 ( 9.446 -0.837 6.381) 11.430 5.605 ( -1.877 1.450 21.494) 21.624 6.251 ( 14.284 7.373 8.743) 18.298 7.421 ( 9.146 12.214 30.419) 34.031 7.807 ( 22.455 -19.335 27.856) 40.669 8.315 ( -2.744 -5.326 22.268) 23.060 9.282 ( -29.110 1.385 -1.430) 29.178 9.548 ( 29.489 3.183 3.623) 29.881 10.016 ( 15.698 -5.394 -6.897) 17.975 10.708 ( 6.334 -8.186 -7.658) 12.876 11.060 ( -9.711 3.041 16.749) 19.598 11.300 ( -25.150 24.111 4.598) 35.143 11.697 ( 8.927 4.139 3.162) 10.336 11.834 ( 5.543 6.021 22.149) 23.613 11.971 ( -20.715 -20.290 2.533) 29.107 12.170 ( -8.067 5.216 16.328) 18.944 12.369 ( -6.435 -11.186 14.224) 19.206 13.839 ( 18.157 13.833 -0.748) 22.839 14.718 ( -10.581 -9.743 -7.354) 16.154 16.736 ( 2.790 23.677 -12.665) 26.996 17.476 ( 9.806 -17.383 -11.646) 23.108 18.397 ( -17.301 -5.069 -27.569) 32.941 ======================= Grid point 235 (80/279) ======================= q-point: ( 0.40 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 852 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.822 ( 4.443 -0.222 13.659) 14.365 4.269 ( 13.710 7.988 4.687) 16.545 5.209 ( -5.410 -0.585 -0.690) 5.485 5.551 ( 6.374 11.076 19.482) 23.299 6.493 ( 21.649 2.136 16.958) 27.583 7.237 ( -3.809 15.087 31.027) 34.711 8.186 ( -0.864 -2.968 15.247) 15.558 8.657 ( -19.444 -10.119 7.026) 23.018 8.835 ( 12.803 -18.346 16.770) 27.959 9.806 ( 6.749 11.640 6.740) 15.049 10.324 ( 10.336 17.582 -3.174) 20.641 10.531 ( -4.757 4.587 -7.926) 10.319 10.886 ( -5.378 -2.835 15.964) 17.083 11.090 ( 6.499 -12.066 -1.892) 13.836 11.690 ( -16.846 -0.753 12.627) 21.066 11.787 ( 10.800 9.922 2.215) 14.832 11.893 ( -3.872 8.083 15.248) 17.687 12.088 ( -6.696 -24.147 -0.143) 25.059 12.519 ( 3.259 -10.558 18.931) 21.920 13.708 ( -1.730 28.788 1.850) 28.899 14.855 ( 5.094 -18.001 -7.840) 20.284 16.451 ( 0.107 26.983 -8.852) 28.398 17.745 ( -1.707 -9.475 -11.266) 14.820 18.252 ( -9.955 -15.455 -24.734) 30.818 ======================= Grid point 236 (81/279) ======================= q-point: (-0.50 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.770 ( -4.252 9.767 11.043) 15.343 4.252 ( 0.499 14.951 9.671) 17.813 5.063 ( -9.919 0.929 -2.733) 10.331 5.545 ( 10.361 14.323 15.145) 23.278 6.773 ( 11.899 19.166 26.217) 34.587 7.106 ( 6.793 -7.382 20.156) 22.514 8.022 ( -31.313 2.215 4.374) 31.694 8.183 ( -9.716 2.952 17.333) 20.088 9.195 ( -11.525 21.592 18.627) 30.757 9.711 ( 15.730 -12.773 7.894) 21.746 10.350 ( 11.951 -4.404 -0.086) 12.737 10.756 ( 7.886 0.635 12.354) 14.670 10.807 ( 2.093 -3.530 2.497) 4.804 11.384 ( -13.837 1.066 12.218) 18.490 11.450 ( 10.768 -12.233 -7.056) 17.759 11.749 ( -2.272 5.788 8.295) 10.367 11.812 ( 7.011 10.496 2.517) 12.871 12.389 ( 2.711 -28.266 -5.988) 29.021 12.660 ( -1.801 -11.214 11.530) 16.185 13.211 ( -12.231 32.502 4.567) 35.026 15.201 ( 12.110 -13.452 -7.761) 19.694 16.137 ( -0.319 24.436 -4.085) 24.777 17.609 ( -18.011 -2.359 -17.166) 24.993 18.456 ( 3.403 -21.424 -13.605) 25.606 ======================= Grid point 237 (82/279) ======================= q-point: (-0.40 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 852 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.468 ( -7.771 22.129 10.780) 25.813 3.946 ( -11.368 21.286 14.214) 28.006 4.865 ( -7.989 7.083 0.930) 10.717 5.553 ( 8.527 11.976 14.177) 20.424 6.520 ( -7.964 15.817 14.708) 23.020 7.429 ( -20.547 12.735 19.858) 31.284 7.478 ( 15.767 3.069 19.596) 25.338 8.005 ( -7.416 -0.071 11.234) 13.461 8.753 ( -9.957 10.681 25.506) 29.391 10.057 ( 12.873 -1.226 -0.208) 12.933 10.462 ( -4.911 -1.321 25.673) 26.172 10.859 ( -5.629 -3.557 3.348) 7.453 10.978 ( 11.881 -2.893 -2.908) 12.569 11.230 ( -3.321 -3.296 11.696) 12.597 11.684 ( 6.186 14.864 1.031) 16.133 11.703 ( 11.994 -2.532 0.271) 12.261 11.915 ( 5.672 -13.965 -5.668) 16.104 12.562 ( -13.935 26.517 8.138) 31.041 12.651 ( -7.491 -6.449 1.522) 10.000 12.882 ( 3.244 -28.978 -9.032) 30.526 15.546 ( 15.449 -4.465 -7.688) 17.825 15.893 ( 0.496 15.601 -0.681) 15.624 17.288 ( -21.626 -0.657 -17.398) 27.763 18.781 ( 5.337 -19.898 -7.445) 21.905 ======================= Grid point 238 (83/279) ======================= q-point: (-0.30 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.049 ( -3.727 29.994 14.310) 33.441 3.392 ( -16.595 29.959 15.212) 37.475 4.632 ( -5.033 14.151 11.903) 19.164 5.518 ( 3.317 11.359 17.181) 20.862 6.239 ( -7.283 8.029 5.043) 11.956 6.936 ( -3.076 32.941 34.008) 47.446 7.443 ( -9.644 1.265 -0.655) 9.748 8.176 ( 13.835 -7.944 24.583) 29.306 8.585 ( -7.200 -3.549 27.641) 28.783 10.215 ( 9.855 6.776 -1.329) 12.033 10.368 ( -4.196 1.371 31.281) 31.591 10.741 ( -6.011 0.040 3.035) 6.733 11.095 ( 0.933 5.659 12.656) 13.895 11.161 ( -1.482 2.766 0.852) 3.252 11.549 ( 4.172 20.055 0.674) 20.495 11.814 ( -13.829 28.695 5.892) 32.394 12.071 ( 3.994 -17.928 -6.648) 19.534 12.373 ( 14.730 -14.347 -7.117) 21.760 12.671 ( -5.395 -13.490 0.855) 14.554 13.292 ( 0.163 -33.547 -11.919) 35.602 15.669 ( 5.745 14.762 -0.345) 15.844 15.923 ( 10.790 -3.984 -8.371) 14.226 16.928 ( -19.436 1.593 -15.734) 25.057 19.086 ( 4.317 -17.308 -4.038) 18.290 ======================= Grid point 239 (84/279) ======================= q-point: (-0.20 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 471 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( -0.000 31.752 19.991) 37.521 2.819 ( -0.000 34.113 19.956) 39.521 4.363 ( -0.000 23.383 25.509) 34.605 5.416 ( -0.000 8.506 21.922) 23.515 6.104 ( -0.000 5.373 1.395) 5.551 6.540 ( -0.000 28.905 30.579) 42.078 7.374 ( 0.000 -4.704 -0.653) 4.749 8.362 ( -0.000 0.537 23.242) 23.249 8.616 ( 0.000 -12.524 30.842) 33.288 10.195 ( -0.000 11.572 1.328) 11.648 10.317 ( -0.000 1.262 33.457) 33.480 10.686 ( -0.000 1.898 -2.776) 3.363 10.993 ( -0.000 8.015 28.533) 29.637 11.075 ( -0.000 13.920 1.201) 13.972 11.315 ( -0.000 26.638 3.012) 26.808 11.399 ( -0.000 8.951 0.165) 8.953 12.231 ( 0.000 -9.460 -9.757) 13.590 12.740 ( 0.000 -13.100 5.341) 14.147 12.851 ( 0.000 -25.453 -14.852) 29.469 13.691 ( 0.000 -34.230 -11.984) 36.268 15.569 ( -0.000 9.969 -1.738) 10.119 16.068 ( -0.000 0.981 -10.383) 10.430 16.696 ( -0.000 4.147 -13.745) 14.357 19.310 ( 0.000 -12.969 -4.372) 13.686 ======================= Grid point 244 (85/279) ======================= q-point: ( 0.30 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 470 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.812 ( 8.309 0.000 14.118) 16.382 4.379 ( 17.816 0.000 1.081) 17.849 5.186 ( -7.043 -0.000 0.754) 7.083 5.717 ( 14.575 0.000 22.806) 27.066 6.491 ( 11.110 0.000 5.286) 12.303 7.550 ( -4.311 -0.000 33.598) 33.874 8.122 ( 12.150 0.000 19.876) 23.296 8.320 ( 21.618 0.000 24.595) 32.745 8.726 ( -33.567 -0.000 0.011) 33.567 9.947 ( 15.933 0.000 3.388) 16.289 10.391 ( 26.307 0.000 -10.617) 28.368 10.775 ( 7.656 0.000 -9.853) 12.477 10.927 ( -8.314 -0.000 15.247) 17.367 11.168 ( -19.837 -0.000 5.035) 20.466 11.230 ( -29.149 -0.000 -2.228) 29.234 11.891 ( -9.808 -0.000 18.222) 20.694 11.909 ( 10.929 0.000 4.208) 11.711 12.051 ( -0.123 -0.000 18.411) 18.412 12.354 ( 4.569 0.000 16.556) 17.175 14.318 ( 23.174 0.000 -2.696) 23.330 14.379 ( -17.479 -0.000 -6.190) 18.542 16.912 ( -1.592 -0.000 -8.256) 8.408 17.505 ( 8.152 0.000 -9.158) 12.261 18.049 ( -19.416 -0.000 -27.109) 33.345 ======================= Grid point 245 (86/279) ======================= q-point: (-0.60 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.895 ( 2.650 1.966 12.881) 13.297 4.566 ( 9.044 9.716 -0.072) 13.274 5.010 ( -12.751 -3.912 -0.381) 13.343 5.949 ( 19.689 15.293 15.613) 29.416 6.735 ( 13.355 -10.810 13.609) 21.919 7.291 ( -18.816 10.393 21.024) 30.068 8.097 ( -7.365 2.495 11.461) 13.850 8.258 ( -11.086 7.238 13.749) 19.087 8.983 ( 27.086 -22.130 19.758) 40.172 10.015 ( -4.401 19.519 8.985) 21.934 10.471 ( -8.470 15.364 -2.056) 17.665 10.732 ( 8.859 -1.517 -7.791) 11.895 10.832 ( 1.450 4.601 15.458) 16.194 11.067 ( 9.566 -13.645 -7.610) 18.319 11.191 ( -16.845 -23.073 3.184) 28.744 11.728 ( -6.001 -3.275 11.644) 13.503 12.052 ( 4.899 2.583 8.897) 10.479 12.086 ( 9.838 5.538 5.067) 12.375 12.434 ( -0.514 -6.477 9.753) 11.719 13.913 ( -14.404 23.176 -3.366) 27.494 14.821 ( 18.156 -15.856 -5.021) 24.622 16.729 ( -2.162 20.866 -2.383) 21.112 17.537 ( -15.517 -2.790 -16.382) 22.736 17.933 ( -0.963 -18.614 -14.229) 23.450 ======================= Grid point 246 (87/279) ======================= q-point: (-0.50 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.844 ( -1.034 9.182 11.554) 14.794 4.402 ( -6.630 17.678 5.926) 19.788 4.934 ( -2.656 -1.830 -4.510) 5.545 5.991 ( 14.409 23.711 13.135) 30.698 6.769 ( -28.178 5.050 9.703) 30.227 7.170 ( 14.428 -17.035 20.283) 30.162 7.884 ( -1.267 13.033 7.482) 15.081 8.117 ( -0.440 9.905 22.703) 24.774 9.269 ( -13.880 27.221 17.532) 35.228 9.786 ( 14.455 -17.478 6.459) 23.583 10.391 ( -2.232 -1.174 14.277) 14.498 10.811 ( -2.075 1.400 10.213) 10.515 10.893 ( 8.419 -5.122 -6.893) 12.026 11.114 ( -10.642 -8.853 12.208) 18.457 11.460 ( 12.993 -18.136 -11.881) 25.276 11.730 ( 0.808 2.526 3.281) 4.219 12.111 ( 5.785 2.258 2.274) 6.613 12.212 ( 5.477 -5.137 -0.866) 7.559 12.481 ( -2.933 -7.515 1.657) 8.235 13.348 ( -16.176 28.572 -1.010) 32.849 15.305 ( 19.419 -12.515 -6.910) 24.114 16.420 ( -1.406 24.622 2.908) 24.833 17.224 ( -23.128 -3.762 -18.785) 30.033 18.241 ( 3.672 -23.992 -4.725) 24.727 ======================= Grid point 247 (88/279) ======================= q-point: (-0.40 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.656 ( -0.657 18.993 10.544) 21.734 4.014 ( -10.141 22.582 8.939) 26.318 4.880 ( -0.720 7.304 -1.099) 7.422 5.906 ( 7.853 21.972 14.278) 27.355 6.337 ( -17.702 -0.058 5.694) 18.595 7.407 ( 2.856 4.974 8.494) 10.249 7.851 ( -10.463 2.989 17.692) 20.770 7.983 ( 22.653 17.539 27.434) 39.666 8.690 ( -16.231 16.370 22.830) 32.444 10.235 ( 12.753 -10.841 -0.607) 16.749 10.356 ( -2.188 -0.599 22.866) 22.978 10.691 ( -9.946 -2.379 6.303) 12.013 11.057 ( -4.936 -9.448 14.535) 18.025 11.172 ( 9.530 -0.641 -6.275) 11.429 11.728 ( 2.002 -4.594 -2.922) 5.801 11.888 ( 12.971 -14.930 -10.848) 22.557 12.109 ( 9.251 19.060 1.052) 21.212 12.334 ( -7.224 -14.468 -1.722) 16.263 12.584 ( -2.991 -14.636 -3.375) 15.315 12.735 ( -12.167 26.681 -2.023) 29.394 15.752 ( 18.209 -8.496 -9.145) 22.077 16.128 ( -0.235 21.747 5.785) 22.505 16.893 ( -20.757 -3.916 -16.906) 27.056 18.581 ( 2.535 -24.212 -0.588) 24.351 ======================= Grid point 248 (89/279) ======================= q-point: (-0.30 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 470 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.391 ( -0.000 26.497 11.325) 28.816 3.587 ( -0.000 29.716 11.053) 31.705 4.752 ( -0.000 11.906 6.263) 13.453 5.732 ( -0.000 17.979 15.401) 23.674 6.195 ( -0.000 0.711 3.413) 3.487 7.362 ( -0.000 4.878 -3.737) 6.145 7.409 ( -0.000 39.705 36.222) 53.745 8.292 ( 0.000 -12.283 29.134) 31.618 8.395 ( -0.000 2.994 21.680) 21.886 10.333 ( 0.000 -0.796 30.581) 30.591 10.397 ( -0.000 5.904 0.357) 5.914 10.647 ( 0.000 -6.405 -6.365) 9.030 11.045 ( 0.000 -0.415 18.321) 18.325 11.252 ( -0.000 0.854 -1.206) 1.478 11.886 ( 0.000 -7.792 -8.634) 11.630 11.976 ( -0.000 13.625 -1.937) 13.762 11.978 ( -0.000 29.973 2.267) 30.059 12.383 ( 0.000 -15.628 -1.987) 15.753 12.408 ( 0.000 -6.587 -6.921) 9.555 12.893 ( 0.000 -30.117 -7.928) 31.143 15.897 ( -0.000 17.731 4.905) 18.396 16.021 ( 0.000 -4.883 -10.587) 11.659 16.716 ( 0.000 -2.289 -15.509) 15.677 18.882 ( 0.000 -22.305 0.045) 22.305 ======================= Grid point 255 (90/279) ======================= q-point: ( 0.40 -0.60 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 471 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.943 ( 1.208 0.000 13.078) 13.134 4.717 ( -15.247 -0.000 1.797) 15.353 4.813 ( 9.966 0.000 -5.362) 11.317 6.471 ( 25.366 0.000 11.839) 27.993 6.778 ( 5.131 0.000 19.379) 20.047 6.817 ( -35.181 -0.000 9.989) 36.572 7.995 ( -8.903 -0.000 11.397) 14.462 8.402 ( 12.832 0.000 10.035) 16.290 9.244 ( 21.340 0.000 19.631) 28.996 10.078 ( -8.261 -0.000 12.879) 15.301 10.320 ( -22.745 -0.000 6.718) 23.717 10.589 ( -5.721 -0.000 12.489) 13.737 10.883 ( -5.161 -0.000 10.035) 11.285 11.018 ( 11.474 0.000 -4.859) 12.461 11.183 ( 14.133 0.000 -16.154) 21.464 11.739 ( 6.946 0.000 6.491) 9.507 12.086 ( -2.189 -0.000 4.510) 5.013 12.180 ( -4.141 -0.000 2.461) 4.817 12.477 ( 11.630 0.000 -0.055) 11.630 13.741 ( -20.201 -0.000 -4.458) 20.687 15.108 ( 24.576 0.000 -5.353) 25.152 16.818 ( -2.892 -0.000 5.606) 6.308 17.162 ( -25.173 -0.000 -20.054) 32.185 17.859 ( 4.950 0.000 -4.854) 6.933 ======================= Grid point 257 (91/279) ======================= q-point: (-0.50 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.927 ( 0.333 4.973 12.913) 13.841 4.434 ( -8.831 11.040 2.927) 14.437 4.969 ( 6.391 0.618 -7.259) 9.691 6.290 ( -24.792 -2.035 7.656) 26.027 6.526 ( 10.317 28.591 16.653) 34.658 7.166 ( 13.599 -23.212 19.875) 33.448 7.802 ( -12.160 2.071 5.807) 13.634 8.530 ( 15.741 17.195 8.449) 24.796 9.410 ( -10.135 33.863 20.585) 40.905 9.779 ( 7.861 -14.371 6.897) 17.773 10.275 ( -4.507 -15.536 15.400) 22.335 10.571 ( -9.892 -12.600 19.284) 25.070 10.747 ( -7.637 -3.646 13.644) 16.055 11.237 ( 15.711 5.981 -10.955) 20.066 11.530 ( 16.273 -12.217 -15.218) 25.410 11.775 ( -3.082 4.357 -1.985) 5.694 12.045 ( -4.880 -5.782 -1.320) 7.680 12.114 ( -6.101 -8.083 -1.100) 10.186 12.675 ( 16.304 9.375 -1.247) 18.848 13.311 ( -19.131 14.928 -2.874) 24.436 15.555 ( 22.280 -6.024 -8.149) 24.476 16.631 ( -6.663 16.500 4.431) 18.338 16.796 ( -18.168 -2.893 -12.238) 22.095 18.041 ( 2.685 -17.363 -0.432) 17.575 ======================= Grid point 258 (92/279) ======================= q-point: (-0.40 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 471 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.835 ( -0.000 11.231 12.247) 16.617 4.177 ( -0.000 19.027 4.829) 19.630 4.975 ( -0.000 6.729 -5.443) 8.654 6.123 ( 0.000 -5.358 7.065) 8.867 6.276 ( -0.000 27.443 16.862) 32.210 7.564 ( -0.000 9.241 -1.356) 9.340 7.608 ( 0.000 -20.549 23.277) 31.049 8.552 ( -0.000 11.093 10.401) 15.206 8.729 ( -0.000 45.286 31.423) 55.120 10.116 ( 0.000 -20.241 5.764) 21.046 10.446 ( 0.000 -5.458 5.810) 7.971 10.481 ( 0.000 -2.723 18.667) 18.864 10.829 ( 0.000 -17.299 19.327) 25.938 11.318 ( -0.000 6.564 -10.072) 12.022 11.687 ( 0.000 -1.295 -5.912) 6.052 11.925 ( 0.000 -16.390 -11.832) 20.215 11.990 ( 0.000 -8.240 -9.350) 12.463 12.221 ( 0.000 -13.071 3.006) 13.412 12.729 ( -0.000 19.571 -0.740) 19.585 12.831 ( -0.000 21.750 -2.670) 21.913 15.867 ( 0.000 -6.908 -10.040) 12.187 16.355 ( -0.000 17.509 5.578) 18.376 16.635 ( 0.000 -1.596 -11.914) 12.020 18.314 ( 0.000 -23.805 1.628) 23.860 ======================= Grid point 268 (93/279) ======================= q-point: (-0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.960 ( 0.000 -0.000 13.531) 13.531 4.418 ( 0.000 -0.000 1.936) 1.936 5.056 ( 0.000 -0.000 -9.702) 9.702 6.039 ( 0.000 -0.000 9.036) 9.036 6.877 ( 0.000 -0.000 30.260) 30.260 7.082 ( -0.000 0.000 9.315) 9.315 7.683 ( 0.000 -0.000 4.446) 4.446 8.783 ( -0.000 0.000 -5.345) 5.345 9.742 ( 0.000 -0.000 6.754) 6.754 9.789 ( 0.000 -0.000 24.786) 24.786 9.826 ( -0.000 0.000 17.810) 17.810 10.464 ( 0.000 -0.000 25.876) 25.876 10.653 ( 0.000 -0.000 13.585) 13.585 11.488 ( 0.000 -0.000 -12.038) 12.038 11.647 ( -0.000 0.000 -16.395) 16.395 11.738 ( 0.000 -0.000 -6.539) 6.539 11.834 ( 0.000 -0.000 -8.337) 8.337 12.059 ( 0.000 -0.000 4.683) 4.683 12.986 ( 0.000 -0.000 -2.150) 2.150 13.127 ( 0.000 -0.000 -2.360) 2.360 15.769 ( 0.000 -0.000 -9.583) 9.583 16.477 ( 0.000 -0.000 -16.519) 16.519 16.765 ( 0.000 -0.000 13.566) 13.566 17.954 ( 0.000 -0.000 0.071) 0.071 ======================= Grid point 315 (94/279) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 279 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 0.000 0.000 39.680) 39.680 2.952 ( 0.000 0.000 43.557) 43.557 4.276 ( 0.000 0.000 48.799) 48.799 6.026 ( 0.000 0.000 4.669) 4.669 6.041 ( 0.000 0.000 16.406) 16.406 6.331 ( 0.000 0.000 49.834) 49.834 7.656 ( 0.000 0.000 4.990) 4.990 8.810 ( 0.000 0.000 25.951) 25.951 9.719 ( 0.000 0.000 42.870) 42.870 10.044 ( 0.000 0.000 21.833) 21.833 10.473 ( 0.000 0.000 -3.429) 3.429 10.623 ( 0.000 0.000 -5.470) 5.470 10.655 ( 0.000 0.000 14.330) 14.330 11.148 ( 0.000 0.000 44.167) 44.167 11.485 ( 0.000 0.000 14.643) 14.643 11.671 ( 0.000 0.000 25.158) 25.158 12.176 ( 0.000 0.000 -15.039) 15.039 13.178 ( 0.000 0.000 -28.435) 28.435 13.399 ( 0.000 0.000 19.077) 19.077 14.295 ( 0.000 0.000 -28.418) 28.418 15.148 ( 0.000 0.000 -12.694) 12.694 15.732 ( 0.000 0.000 -12.082) 12.082 16.180 ( 0.000 0.000 -13.788) 13.788 19.229 ( 0.000 0.000 -12.338) 12.338 ======================= Grid point 316 (95/279) ======================= q-point: ( 0.10 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 20.089 -9.533 34.349) 40.918 3.004 ( 9.048 3.034 40.559) 41.667 4.425 ( 8.230 -10.875 41.812) 43.980 5.984 ( 2.484 9.143 20.690) 22.756 6.082 ( 4.881 -1.835 7.350) 9.012 6.492 ( 6.034 -15.414 45.488) 48.407 7.719 ( 10.105 3.703 4.776) 11.774 8.786 ( -3.649 -0.704 27.343) 27.594 9.598 ( -9.456 6.645 37.741) 39.471 10.004 ( -5.597 -5.332 22.566) 23.854 10.476 ( -6.364 -6.990 1.045) 9.511 10.613 ( -2.104 -3.079 8.467) 9.252 10.794 ( 11.704 -4.913 -4.155) 13.356 11.298 ( 15.447 0.203 42.528) 45.247 11.500 ( 2.039 3.505 6.751) 7.875 11.756 ( 12.107 0.424 32.806) 34.972 12.232 ( 7.451 1.833 -14.698) 16.581 12.996 ( -13.339 9.787 -21.779) 27.350 13.377 ( 1.101 6.698 14.178) 15.719 14.044 ( -20.178 7.972 -24.572) 32.779 15.129 ( -4.394 -3.061 -11.113) 12.336 15.834 ( 9.037 3.389 -14.418) 17.350 16.286 ( 8.939 -7.464 -16.009) 19.797 19.130 ( -12.667 -2.129 -12.766) 18.109 ======================= Grid point 317 (96/279) ======================= q-point: ( 0.20 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 852 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.200 ( 16.240 -0.782 32.105) 35.987 3.289 ( 24.151 -15.332 26.020) 38.670 4.726 ( 11.305 -9.191 25.805) 29.634 5.942 ( 5.174 9.160 20.827) 23.333 6.213 ( 4.491 -6.410 14.554) 16.525 6.878 ( 15.168 -20.189 43.659) 50.436 7.907 ( 19.435 6.525 4.103) 20.908 8.688 ( -8.000 1.864 30.233) 31.329 9.325 ( -12.073 4.355 29.543) 32.210 10.007 ( -3.678 -6.735 22.324) 23.606 10.442 ( -10.016 -12.513 4.581) 16.670 10.653 ( -1.641 -9.149 5.240) 10.670 11.071 ( 15.430 0.111 -5.109) 16.254 11.434 ( 0.536 6.718 7.174) 9.843 11.571 ( 14.963 3.245 35.048) 38.246 12.067 ( 19.522 -6.092 33.970) 39.650 12.332 ( 5.354 5.572 -13.154) 15.256 12.542 ( -17.278 18.975 -13.069) 28.799 13.293 ( 1.941 9.397 12.793) 15.992 13.563 ( -24.460 6.692 -20.748) 32.766 15.077 ( -7.423 -5.011 -8.681) 12.473 15.859 ( 4.687 11.075 -15.472) 19.596 16.634 ( 16.226 -12.182 -20.108) 28.566 18.890 ( -18.661 -3.005 -15.179) 24.242 ======================= Grid point 318 (97/279) ======================= q-point: ( 0.30 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.536 ( 19.179 -4.313 22.663) 30.001 3.829 ( 15.741 -16.605 20.796) 30.919 4.974 ( 9.832 -2.479 10.500) 14.597 5.918 ( 4.750 9.937 20.616) 23.374 6.386 ( 2.696 -13.158 23.187) 26.796 7.430 ( 18.759 -18.232 37.109) 45.402 8.189 ( 23.070 8.049 9.343) 26.160 8.500 ( -3.800 5.678 23.251) 24.234 9.181 ( -4.591 -5.057 26.590) 27.453 9.993 ( -6.308 -3.496 20.865) 22.076 10.454 ( -10.672 -18.226 2.624) 21.283 10.781 ( 1.330 -11.812 2.286) 12.104 11.187 ( 6.270 14.434 -1.008) 15.769 11.395 ( -1.329 0.334 4.185) 4.403 11.700 ( 1.737 6.926 24.109) 25.145 11.896 ( -12.897 17.401 2.071) 21.758 12.320 ( 1.196 13.125 -1.667) 13.284 12.541 ( 17.731 -10.879 27.829) 34.745 13.111 ( -18.947 5.240 -14.206) 24.254 13.294 ( 9.082 6.894 8.721) 14.355 15.006 ( -9.036 -6.962 -8.020) 13.945 15.755 ( 1.226 13.976 -16.125) 21.374 17.058 ( 17.325 -10.778 -21.587) 29.704 18.597 ( -19.418 -1.827 -19.465) 27.555 ======================= Grid point 319 (98/279) ======================= q-point: ( 0.40 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 852 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.894 ( 15.819 -4.100 15.049) 22.216 4.159 ( 3.630 -10.821 19.062) 22.218 5.119 ( 6.364 0.548 0.201) 6.390 5.864 ( 1.813 7.634 23.878) 25.134 6.615 ( 3.319 -16.001 31.493) 35.481 7.614 ( -4.350 8.178 24.420) 26.118 8.455 ( 7.661 -6.811 21.058) 23.421 8.738 ( 37.406 1.330 4.847) 37.742 9.293 ( 4.811 -13.796 26.439) 30.207 9.866 ( -11.697 -1.312 20.544) 23.677 10.429 ( -18.610 -3.611 3.801) 19.334 10.778 ( -12.512 1.320 -2.815) 12.892 11.028 ( -2.233 20.164 3.641) 20.612 11.227 ( -0.523 -13.663 2.333) 13.870 11.667 ( 2.832 -3.572 12.755) 13.545 11.811 ( 5.145 12.653 16.453) 21.384 12.099 ( -4.117 13.510 3.298) 14.504 12.745 ( -11.297 -1.139 -10.814) 15.680 13.016 ( 12.628 -9.727 25.433) 30.015 13.376 ( 8.493 8.807 13.586) 18.283 14.958 ( -6.677 -7.813 -11.011) 15.062 15.595 ( -0.753 12.028 -16.008) 20.037 17.449 ( 15.867 -7.435 -20.169) 26.717 18.295 ( -17.079 0.564 -24.655) 29.998 ======================= Grid point 320 (99/279) ======================= q-point: (-0.50 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 442 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.081 ( 0.000 0.000 10.367) 10.367 4.230 ( -0.000 -0.000 20.152) 20.152 5.172 ( 0.000 -0.000 -3.640) 3.640 5.828 ( 0.000 0.000 26.337) 26.337 6.779 ( -0.000 -0.000 38.867) 38.867 7.454 ( 0.000 -0.000 17.442) 17.442 8.555 ( 0.000 -0.000 13.354) 13.354 9.207 ( -0.000 -0.000 1.369) 1.369 9.713 ( -0.000 0.000 34.469) 34.469 9.736 ( -0.000 0.000 4.320) 4.320 9.813 ( 0.000 -0.000 22.130) 22.130 10.764 ( 0.000 -0.000 -8.291) 8.291 10.849 ( 0.000 0.000 8.389) 8.389 11.432 ( 0.000 -0.000 -2.090) 2.090 11.672 ( 0.000 -0.000 5.721) 5.721 11.728 ( 0.000 0.000 19.204) 19.204 11.990 ( 0.000 -0.000 10.635) 10.635 12.636 ( 0.000 -0.000 -11.522) 11.522 13.298 ( -0.000 0.000 23.951) 23.951 13.305 ( 0.000 -0.000 19.514) 19.514 14.957 ( 0.000 0.000 -14.024) 14.024 15.504 ( 0.000 -0.000 -15.410) 15.410 17.680 ( 0.000 -0.000 -15.470) 15.470 18.095 ( 0.000 -0.000 -30.647) 30.647 ======================= Grid point 327 (100/279) ======================= q-point: ( 0.10 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 470 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.086 ( 24.946 0.000 29.474) 38.614 3.233 ( 15.541 0.000 33.788) 37.191 4.579 ( 16.791 0.000 33.703) 37.654 6.110 ( 4.022 0.000 15.320) 15.839 6.124 ( 2.659 0.000 20.668) 20.839 6.607 ( 18.987 0.000 41.043) 45.222 7.994 ( 20.082 0.000 3.932) 20.463 8.698 ( -6.278 -0.000 30.652) 31.289 9.391 ( -17.391 -0.000 32.786) 37.113 9.918 ( -1.150 -0.000 25.617) 25.642 10.273 ( -12.259 -0.000 1.295) 12.327 10.532 ( -2.426 -0.000 4.769) 5.351 11.067 ( 18.438 0.000 -5.560) 19.258 11.561 ( 2.377 0.000 5.218) 5.734 11.605 ( 18.971 0.000 41.318) 45.465 11.997 ( 15.786 0.000 32.414) 36.054 12.397 ( 8.772 0.000 -14.259) 16.741 12.800 ( -15.801 -0.000 -15.763) 22.319 13.412 ( -0.851 -0.000 16.267) 16.290 13.609 ( -33.360 -0.000 -19.163) 38.472 15.023 ( -6.588 -0.000 -11.377) 13.146 16.100 ( 14.443 0.000 -19.204) 24.029 16.384 ( 10.817 0.000 -17.681) 20.728 18.833 ( -19.713 -0.000 -14.595) 24.528 ======================= Grid point 328 (101/279) ======================= q-point: ( 0.20 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.497 ( 19.778 -2.664 25.076) 32.048 3.539 ( 19.532 -3.996 24.562) 31.635 4.895 ( 15.937 -2.974 18.181) 24.360 6.147 ( 5.098 6.942 15.196) 17.467 6.177 ( 1.553 -4.307 25.096) 25.511 7.075 ( 28.704 -9.275 41.059) 50.948 8.372 ( 26.399 5.554 4.559) 27.359 8.579 ( -5.878 0.683 32.014) 32.557 9.112 ( -13.780 -0.811 26.040) 29.473 9.924 ( -1.096 -1.452 22.999) 23.071 10.093 ( -14.975 -9.615 0.116) 17.796 10.542 ( -0.465 -6.232 1.493) 6.425 11.330 ( 11.794 -0.319 -0.159) 11.799 11.555 ( 2.831 8.746 5.624) 10.777 11.857 ( 11.097 4.960 32.097) 34.322 12.277 ( 4.170 0.309 18.074) 18.551 12.302 ( -6.533 4.893 4.177) 9.169 12.623 ( 2.182 8.369 -6.204) 10.644 13.068 ( -31.435 -5.966 -12.659) 34.409 13.411 ( 5.188 2.745 14.416) 15.565 14.902 ( -9.166 -2.094 -10.458) 14.063 16.170 ( 9.525 18.633 -19.620) 28.686 16.722 ( 14.579 -16.215 -20.346) 29.824 18.509 ( -20.942 -3.479 -19.511) 28.833 ======================= Grid point 329 (102/279) ======================= q-point: ( 0.30 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.845 ( 19.891 -0.626 16.996) 26.171 3.895 ( 11.341 -9.318 20.098) 24.887 5.128 ( 9.186 -0.197 6.504) 11.257 6.073 ( -2.593 7.562 19.941) 21.484 6.336 ( 9.365 -6.521 24.766) 27.268 7.666 ( 24.179 -3.799 35.914) 43.461 8.386 ( -1.585 3.311 31.725) 31.937 8.804 ( 18.994 1.545 9.409) 21.253 9.065 ( 8.015 -4.901 15.202) 17.871 9.804 ( -15.915 -4.287 14.976) 22.270 10.077 ( -5.133 -13.862 3.159) 15.115 10.673 ( 2.591 -12.052 -0.855) 12.358 11.317 ( -16.701 12.612 2.436) 21.069 11.497 ( 7.731 14.528 2.364) 16.626 11.661 ( -9.587 7.304 10.424) 15.935 12.079 ( 7.216 10.956 24.419) 27.720 12.445 ( -5.814 12.459 3.786) 14.260 12.508 ( -11.088 -14.045 3.509) 18.235 12.833 ( -2.639 -8.706 12.541) 15.493 13.540 ( 12.907 4.947 10.182) 17.168 14.784 ( -9.337 -5.703 -10.443) 15.125 16.045 ( 5.937 23.151 -18.633) 30.305 17.169 ( 15.012 -15.995 -19.688) 29.476 18.219 ( -19.901 -5.308 -25.109) 32.476 ======================= Grid point 330 (103/279) ======================= q-point: ( 0.40 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.075 ( 3.487 -1.557 12.619) 13.184 4.171 ( 13.524 -2.922 16.622) 21.627 5.204 ( 1.279 2.085 -1.116) 2.688 5.914 ( -5.112 6.575 24.448) 25.828 6.643 ( 16.380 -8.182 27.882) 33.356 7.698 ( -3.579 16.651 27.973) 32.750 8.497 ( 3.776 -3.555 16.572) 17.365 9.174 ( 5.365 -19.121 21.357) 29.163 9.271 ( 9.946 -0.432 7.495) 12.461 9.684 ( 6.615 -3.140 15.953) 17.553 10.156 ( -4.016 -4.336 5.665) 8.187 10.585 ( -20.260 13.476 -0.307) 24.334 11.015 ( 2.094 -15.863 -0.876) 16.024 11.347 ( 2.856 18.332 10.307) 21.224 11.667 ( 2.709 -2.038 11.411) 11.904 12.022 ( -0.501 13.260 15.548) 20.441 12.149 ( -7.873 12.001 8.307) 16.584 12.427 ( -13.136 -15.403 -8.183) 21.836 13.018 ( 3.109 -11.886 22.878) 25.968 13.597 ( 3.369 12.527 14.054) 19.125 14.781 ( -1.298 -10.659 -13.011) 16.869 15.848 ( 4.542 23.583 -15.781) 28.737 17.558 ( 9.104 -10.417 -15.418) 20.716 17.992 ( -12.960 -7.563 -30.445) 33.942 ======================= Grid point 331 (104/279) ======================= q-point: (-0.50 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.016 ( -7.502 5.278 12.476) 15.485 4.342 ( 6.302 4.324 16.701) 18.366 5.130 ( -6.414 1.791 -4.065) 7.802 5.789 ( -2.770 2.246 25.212) 25.463 6.979 ( 14.499 7.940 34.908) 38.624 7.461 ( -1.241 2.769 16.881) 17.151 8.469 ( -11.479 -3.510 7.545) 14.178 8.834 ( -28.416 4.868 13.152) 31.688 9.691 ( -10.228 12.780 32.065) 36.002 9.844 ( 8.148 -1.232 18.410) 20.170 10.095 ( 29.311 -12.445 4.163) 32.114 10.575 ( 6.225 -15.531 -5.236) 17.532 11.147 ( 5.901 17.868 7.135) 20.125 11.346 ( 3.188 -16.316 1.463) 16.689 11.678 ( -3.347 7.911 10.862) 13.849 11.762 ( -4.177 8.171 10.023) 13.589 11.974 ( -4.397 3.186 9.504) 10.946 12.504 ( -1.407 -18.120 -9.896) 20.694 13.134 ( -6.299 -11.369 15.170) 19.976 13.347 ( -11.132 16.797 19.518) 28.054 14.965 ( 7.566 -8.512 -13.344) 17.544 15.674 ( 5.356 18.551 -11.238) 22.341 17.524 ( -15.710 -0.684 -20.797) 26.073 18.150 ( 12.621 -11.844 -23.052) 28.826 ======================= Grid point 332 (105/279) ======================= q-point: (-0.40 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.730 ( -13.563 11.276 16.616) 24.232 4.222 ( -8.089 14.959 17.311) 24.267 4.998 ( -6.911 0.025 1.893) 7.165 5.763 ( -0.680 -1.675 22.024) 22.098 6.791 ( -6.625 20.670 21.995) 30.902 7.677 ( 11.343 -3.168 24.590) 27.264 8.123 ( -32.157 1.084 9.720) 33.611 8.422 ( -4.691 4.830 23.909) 24.839 9.346 ( -6.000 9.630 30.312) 32.366 10.027 ( 7.158 -1.393 14.150) 15.919 10.674 ( 14.563 -9.090 5.358) 17.984 10.886 ( 7.162 -11.105 -4.313) 13.900 11.036 ( 3.740 14.264 7.694) 16.633 11.446 ( 8.367 7.996 5.980) 13.027 11.583 ( -4.781 -7.681 17.162) 19.401 11.671 ( -1.292 2.019 3.238) 4.029 11.982 ( 0.171 -11.325 0.827) 11.356 12.784 ( 3.755 -20.123 -11.778) 23.617 12.884 ( -16.329 16.411 22.215) 32.085 13.091 ( -12.361 -10.024 6.167) 17.068 15.171 ( 11.029 1.858 -10.094) 15.066 15.614 ( 5.374 6.381 -8.729) 12.075 17.214 ( -18.990 2.470 -22.883) 29.839 18.523 ( 16.166 -8.741 -17.069) 25.082 ======================= Grid point 333 (106/279) ======================= q-point: (-0.30 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.349 ( -13.691 12.369 24.347) 30.549 3.751 ( -20.055 21.536 18.607) 34.817 4.889 ( -4.587 3.758 14.049) 15.249 5.782 ( -0.985 -3.063 19.621) 19.883 6.435 ( -10.956 12.290 11.136) 19.877 7.492 ( -8.636 29.957 47.309) 56.658 7.734 ( -17.045 -6.945 4.169) 18.872 8.563 ( 11.700 -8.753 26.243) 30.037 9.252 ( 0.160 -1.028 28.515) 28.534 10.131 ( 5.666 1.718 13.861) 15.073 10.772 ( 4.334 13.225 12.983) 19.033 10.862 ( -4.683 4.712 -0.662) 6.676 11.063 ( 5.626 1.210 2.224) 6.170 11.410 ( -2.052 6.034 5.053) 8.134 11.513 ( -8.817 -0.742 25.589) 27.076 12.008 ( 19.008 -19.122 -6.899) 27.830 12.122 ( -3.777 -12.099 -6.724) 14.348 12.329 ( -20.951 12.649 25.980) 35.692 13.014 ( -8.943 -13.320 5.218) 16.871 13.220 ( 11.026 -21.385 -19.398) 30.906 15.277 ( 11.050 10.922 -5.892) 16.617 15.684 ( 3.976 -3.100 -10.515) 11.662 16.847 ( -19.025 5.289 -21.757) 29.382 18.877 ( 15.569 -5.475 -13.597) 21.383 ======================= Grid point 334 (107/279) ======================= q-point: (-0.20 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.029 ( -8.768 8.646 33.501) 35.693 3.144 ( -17.980 21.974 25.992) 38.493 4.733 ( -3.495 11.195 26.425) 28.911 5.801 ( -1.479 -4.369 20.249) 20.767 6.168 ( -7.628 5.608 5.837) 11.122 7.031 ( -3.340 29.444 50.875) 58.875 7.578 ( -10.255 -7.014 4.360) 13.167 8.791 ( 6.240 -1.209 27.351) 28.080 9.369 ( 4.066 -10.961 30.410) 32.580 10.175 ( 5.078 6.307 15.724) 17.686 10.627 ( -5.338 3.750 1.525) 6.700 10.807 ( 7.428 13.330 8.060) 17.258 11.030 ( 2.369 12.689 6.367) 14.393 11.318 ( -11.876 3.369 33.082) 35.311 11.391 ( 0.713 -2.780 4.361) 5.221 11.801 ( -19.077 4.977 33.857) 39.180 12.139 ( -6.412 -6.312 -13.592) 16.300 12.606 ( 15.334 -20.536 -18.253) 31.465 13.093 ( -3.788 -16.265 6.391) 17.881 13.665 ( 9.401 -23.153 -20.550) 32.353 15.296 ( 7.040 11.299 -6.166) 14.671 15.776 ( 2.715 -1.338 -12.247) 12.615 16.480 ( -14.624 6.818 -18.688) 24.690 19.151 ( 10.710 -2.392 -12.226) 16.429 ======================= Grid point 335 (108/279) ======================= q-point: (-0.10 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 470 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( -0.000 17.822 34.200) 38.565 2.905 ( -0.000 0.926 40.463) 40.474 4.531 ( -0.000 15.908 37.470) 40.707 5.856 ( 0.000 -7.786 21.751) 23.102 6.056 ( -0.000 2.695 4.462) 5.213 6.688 ( -0.000 23.804 47.974) 53.555 7.572 ( 0.000 -6.375 4.817) 7.990 8.830 ( -0.000 1.283 26.138) 26.169 9.556 ( 0.000 -11.716 35.044) 36.951 10.143 ( -0.000 7.117 18.096) 19.445 10.560 ( 0.000 -0.865 -1.477) 1.712 10.701 ( -0.000 17.042 4.594) 17.650 10.893 ( -0.000 14.359 7.647) 16.268 11.150 ( -0.000 0.809 42.970) 42.978 11.435 ( 0.000 -3.793 6.515) 7.538 11.624 ( 0.000 -1.883 33.537) 33.590 12.135 ( 0.000 -3.569 -14.779) 15.204 12.969 ( 0.000 -16.336 -26.180) 30.859 13.235 ( 0.000 -13.242 12.917) 18.498 14.027 ( 0.000 -20.900 -23.510) 31.457 15.241 ( -0.000 8.107 -9.415) 12.425 15.778 ( -0.000 3.087 -12.731) 13.100 16.272 ( -0.000 5.946 -15.452) 16.557 19.258 ( -0.000 0.611 -12.499) 12.514 ======================= Grid point 338 (109/279) ======================= q-point: ( 0.20 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 471 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.762 ( 15.014 0.000 21.969) 26.610 3.859 ( 19.615 0.000 15.784) 25.177 5.120 ( 11.397 0.000 9.779) 15.018 6.137 ( -1.773 -0.000 25.635) 25.697 6.303 ( 7.581 0.000 12.245) 14.402 7.590 ( 37.421 0.000 42.968) 56.979 8.464 ( -6.379 -0.000 37.821) 38.355 8.802 ( -0.732 -0.000 16.874) 16.890 9.034 ( 24.868 0.000 4.877) 25.341 9.702 ( -23.464 -0.000 -1.998) 23.548 9.938 ( 1.918 0.000 17.422) 17.527 10.504 ( 0.984 0.000 -1.472) 1.770 11.427 ( -0.166 -0.000 5.839) 5.841 11.684 ( 4.910 0.000 4.539) 6.687 11.898 ( -13.032 -0.000 5.225) 14.040 12.248 ( -22.180 -0.000 2.165) 22.285 12.257 ( 4.572 0.000 23.295) 23.739 12.614 ( -3.207 -0.000 17.099) 17.397 12.665 ( -5.882 -0.000 3.636) 6.915 13.601 ( 15.965 0.000 7.889) 17.808 14.712 ( -11.981 -0.000 -10.438) 15.890 16.493 ( 8.848 0.000 -19.927) 21.803 16.815 ( 14.218 0.000 -19.217) 23.905 18.138 ( -20.531 -0.000 -24.735) 32.145 ======================= Grid point 339 (110/279) ======================= q-point: ( 0.30 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.993 ( 9.280 -3.036 18.044) 20.516 4.163 ( 16.954 0.772 8.939) 19.181 5.240 ( 2.665 0.702 2.867) 3.976 6.079 ( -1.639 5.589 24.994) 25.664 6.479 ( 12.350 -4.748 14.180) 19.394 8.103 ( 15.802 15.447 38.201) 44.132 8.420 ( 8.214 -4.500 31.404) 32.771 8.755 ( -1.295 -11.463 22.492) 25.278 9.267 ( -25.082 -2.408 0.431) 25.201 9.616 ( 31.395 -1.194 1.190) 31.441 10.000 ( 3.959 -2.979 6.911) 8.504 10.595 ( 3.648 -9.015 -3.815) 10.447 11.168 ( -22.047 19.323 2.143) 29.395 11.582 ( -8.974 3.279 15.371) 18.098 11.749 ( 4.520 3.506 3.076) 6.495 11.962 ( -19.831 -15.713 -0.540) 25.307 12.292 ( 3.376 7.192 22.611) 23.967 12.438 ( -11.060 8.936 10.718) 17.806 12.743 ( 1.658 -10.561 20.548) 23.163 13.866 ( 16.529 8.502 4.394) 19.100 14.542 ( -10.442 -7.843 -10.505) 16.761 16.447 ( 7.246 23.466 -16.228) 29.436 17.200 ( 13.807 -17.802 -16.385) 27.858 17.826 ( -19.767 -4.573 -29.046) 35.431 ======================= Grid point 340 (111/279) ======================= q-point: ( 0.40 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 852 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.101 ( 1.687 1.574 13.897) 14.088 4.397 ( 11.945 1.355 8.408) 14.670 5.182 ( -7.435 1.776 -1.854) 7.866 5.970 ( 1.933 11.832 23.056) 25.987 6.852 ( 19.950 -11.812 18.253) 29.508 7.853 ( -8.627 22.059 29.128) 37.543 8.429 ( -13.730 1.549 7.287) 15.621 8.828 ( -17.096 -4.717 15.479) 23.540 9.320 ( 21.135 -23.147 28.831) 42.587 9.988 ( 12.366 3.198 9.175) 15.727 10.263 ( 22.469 -2.347 -4.649) 23.065 10.449 ( -20.814 23.003 5.452) 31.498 10.877 ( 5.582 -17.340 -4.642) 18.799 11.442 ( -6.083 2.045 22.733) 23.622 11.801 ( -0.057 -5.201 -1.065) 5.309 11.871 ( -6.119 -2.935 6.812) 9.615 12.113 ( -13.113 8.688 8.733) 17.992 12.231 ( -0.369 5.185 12.340) 13.390 12.852 ( -5.615 -12.065 14.213) 19.471 13.784 ( -4.840 19.847 6.289) 21.375 14.672 ( 7.450 -15.286 -10.544) 20.009 16.256 ( 6.742 27.327 -10.638) 30.090 17.451 ( -12.498 -4.714 -19.684) 23.788 17.758 ( 6.301 -19.869 -23.035) 31.066 ======================= Grid point 341 (112/279) ======================= q-point: (-0.50 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.001 ( -4.967 10.158 12.195) 16.631 4.485 ( 1.878 7.123 13.542) 15.416 5.001 ( -9.810 0.326 -3.657) 10.475 5.887 ( 5.334 12.316 19.926) 24.025 7.274 ( -2.325 11.322 22.729) 25.499 7.467 ( 4.964 -5.438 15.689) 17.331 8.075 ( -20.986 0.020 1.244) 21.023 8.646 ( -6.593 6.217 29.587) 30.944 9.684 ( -9.570 14.291 29.638) 34.267 9.925 ( 4.725 -3.959 12.928) 14.322 10.325 ( 18.363 -11.341 0.719) 21.594 10.672 ( 15.219 -5.827 -5.100) 17.076 11.201 ( 3.355 -15.960 3.899) 16.768 11.339 ( 0.586 2.820 15.563) 15.827 11.704 ( -8.579 5.101 14.019) 17.210 11.838 ( -1.052 7.394 0.672) 7.499 11.895 ( -1.026 3.463 6.156) 7.138 12.274 ( 1.047 -15.119 -4.285) 15.749 12.831 ( -13.185 -11.634 5.258) 18.353 13.353 ( -15.262 21.928 10.072) 28.551 15.021 ( 13.438 -11.414 -10.250) 20.394 16.052 ( 6.839 25.739 -4.397) 26.992 17.194 ( -20.005 -3.345 -24.259) 31.621 18.187 ( 13.061 -19.133 -13.599) 26.863 ======================= Grid point 342 (113/279) ======================= q-point: (-0.40 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 852 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.726 ( -7.123 17.419 15.000) 24.065 4.225 ( -13.988 17.415 13.465) 26.082 4.917 ( -1.840 -0.831 4.284) 4.736 5.851 ( 5.557 9.843 16.916) 20.345 6.764 ( -21.560 13.796 10.618) 27.711 7.608 ( -13.659 -1.771 4.270) 14.420 8.073 ( 19.720 3.311 29.516) 35.652 8.416 ( -4.755 8.431 31.964) 33.398 9.313 ( -10.427 8.296 30.371) 33.165 10.097 ( 6.809 -3.686 4.358) 8.886 10.756 ( 4.297 -13.285 0.803) 13.985 10.903 ( 9.556 -1.504 2.198) 9.920 11.157 ( -4.007 4.014 23.126) 23.811 11.468 ( -0.817 -5.800 6.066) 8.433 11.683 ( 4.848 9.550 3.619) 11.305 11.707 ( 6.288 -3.595 0.825) 7.290 11.887 ( 1.050 -1.009 2.687) 3.056 12.554 ( 0.076 -18.895 -9.980) 21.369 12.715 ( -16.320 -8.357 0.027) 18.336 12.826 ( -13.765 11.939 10.628) 21.095 15.363 ( 14.985 -5.546 -10.659) 19.207 15.883 ( 5.743 20.543 -0.328) 21.333 16.884 ( -20.520 -1.764 -23.003) 30.876 18.613 ( 12.120 -16.597 -9.790) 22.764 ======================= Grid point 343 (114/279) ======================= q-point: (-0.30 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.398 ( -3.900 20.688 20.360) 29.287 3.706 ( -15.830 23.751 16.458) 32.948 4.894 ( -0.392 2.984 13.960) 14.281 5.824 ( 2.792 6.960 15.699) 17.398 6.340 ( -12.539 8.177 5.873) 16.080 7.421 ( -9.177 -3.164 3.911) 10.466 7.861 ( -0.875 37.033 51.169) 63.170 8.670 ( 14.863 -10.361 24.323) 30.330 9.149 ( -7.678 -5.899 28.086) 29.708 10.243 ( 7.921 0.430 4.502) 9.121 10.692 ( -11.933 0.408 -4.785) 12.863 11.005 ( 3.384 0.823 28.864) 29.073 11.199 ( 6.005 0.637 7.890) 9.935 11.455 ( 2.319 5.288 16.310) 17.302 11.574 ( 3.603 16.801 1.775) 17.275 11.912 ( -2.660 -9.835 -7.303) 12.536 11.971 ( -8.456 0.170 5.547) 10.115 12.269 ( 0.205 3.996 2.339) 4.634 12.665 ( -9.608 -18.663 -2.248) 21.111 13.035 ( 3.549 -27.933 -12.892) 30.969 15.613 ( 13.258 9.186 -7.199) 17.663 15.775 ( 3.598 6.612 -4.549) 8.795 16.566 ( -17.294 0.300 -20.503) 26.824 18.965 ( 8.090 -13.456 -8.427) 17.819 ======================= Grid point 344 (115/279) ======================= q-point: (-0.20 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 471 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( -0.000 18.136 26.814) 32.371 3.253 ( -0.000 24.999 23.465) 34.287 4.825 ( -0.000 7.711 21.420) 22.766 5.785 ( -0.000 2.487 17.438) 17.615 6.157 ( -0.000 5.682 4.268) 7.106 7.405 ( -0.000 36.119 53.906) 64.888 7.405 ( 0.000 -6.559 3.713) 7.537 8.850 ( -0.000 0.125 25.753) 25.753 9.230 ( 0.000 -15.473 29.085) 32.945 10.295 ( -0.000 4.993 9.567) 10.791 10.561 ( -0.000 0.033 -5.700) 5.700 11.060 ( 0.000 -1.632 34.894) 34.932 11.162 ( -0.000 14.805 7.585) 16.635 11.409 ( -0.000 20.759 7.812) 22.181 11.425 ( -0.000 8.571 3.737) 9.350 11.625 ( -0.000 2.878 34.150) 34.271 11.998 ( 0.000 -8.349 -13.786) 16.117 12.515 ( 0.000 -18.616 -18.326) 26.123 12.820 ( 0.000 -20.786 2.134) 20.895 13.412 ( 0.000 -29.203 -15.675) 33.144 15.528 ( -0.000 16.026 -2.276) 16.187 15.831 ( -0.000 0.573 -13.405) 13.417 16.381 ( -0.000 2.266 -17.875) 18.018 19.172 ( 0.000 -8.841 -9.625) 13.069 ======================= Grid point 349 (116/279) ======================= q-point: ( 0.30 0.30 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 470 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.112 ( 6.199 0.000 15.813) 16.985 4.417 ( 12.677 0.000 2.792) 12.981 5.202 ( -7.807 -0.000 0.784) 7.846 6.189 ( 8.931 0.000 24.596) 26.167 6.640 ( 12.837 0.000 9.765) 16.129 8.189 ( -19.902 -0.000 27.043) 33.577 8.512 ( -4.273 -0.000 17.759) 18.266 8.783 ( -20.248 -0.000 8.441) 21.937 8.885 ( 30.286 0.000 32.798) 44.643 10.045 ( 9.221 0.000 4.728) 10.363 10.219 ( 29.029 0.000 -5.874) 29.617 10.608 ( 5.341 0.000 -7.126) 8.905 11.035 ( -15.090 -0.000 5.342) 16.007 11.227 ( -25.193 -0.000 2.760) 25.343 11.537 ( -7.630 -0.000 22.840) 24.081 11.993 ( 9.839 0.000 4.784) 10.940 12.236 ( -13.314 -0.000 15.866) 20.712 12.385 ( -3.807 -0.000 15.295) 15.762 12.644 ( -4.812 -0.000 12.069) 12.993 14.231 ( -16.456 -0.000 -8.790) 18.656 14.283 ( 21.767 0.000 -0.198) 21.768 16.731 ( 6.125 0.000 -9.903) 11.644 17.295 ( 11.655 0.000 -11.977) 16.711 17.465 ( -17.955 -0.000 -31.095) 35.906 ======================= Grid point 350 (117/279) ======================= q-point: (-0.60 0.30 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.167 ( 1.946 3.517 14.025) 14.590 4.585 ( 8.260 1.922 2.101) 8.737 5.007 ( -13.737 0.114 0.011) 13.737 6.279 ( 13.196 17.255 17.857) 28.120 6.994 ( 17.069 -16.560 12.808) 27.011 7.641 ( -36.150 3.867 12.805) 38.545 8.285 ( -9.540 14.531 8.558) 19.375 8.664 ( -1.711 -3.051 24.946) 25.190 9.440 ( 19.992 -15.077 24.814) 35.252 10.208 ( 12.330 3.047 2.551) 12.954 10.423 ( -11.466 21.159 8.950) 25.677 10.645 ( 10.894 7.683 -2.865) 13.635 10.818 ( 9.302 -12.694 -6.161) 16.900 11.200 ( -8.428 -23.254 8.571) 26.177 11.441 ( -7.638 -5.910 23.997) 25.867 11.981 ( -11.650 5.232 11.834) 17.411 12.131 ( 11.037 6.825 3.389) 13.412 12.253 ( -5.236 5.636 8.800) 11.688 12.569 ( -11.895 -9.137 3.543) 15.412 13.839 ( -15.603 15.794 -4.076) 22.573 14.721 ( 18.459 -11.313 -4.604) 22.133 16.671 ( 5.960 22.594 -3.675) 23.654 17.107 ( -20.859 -2.983 -25.631) 33.180 17.688 ( 12.221 -19.453 -11.211) 25.563 ======================= Grid point 351 (118/279) ======================= q-point: (-0.50 0.30 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.083 ( -1.164 11.363 12.213) 16.722 4.551 ( -7.105 10.388 8.957) 15.447 4.862 ( -2.397 -3.679 -2.797) 5.206 6.250 ( 12.249 22.679 13.910) 29.290 6.970 ( -33.029 2.911 10.554) 34.796 7.532 ( 12.981 -14.310 15.334) 24.666 7.974 ( -4.374 7.535 2.497) 9.063 8.665 ( 0.839 3.021 29.755) 29.920 9.726 ( -6.582 16.985 26.399) 32.074 9.948 ( 2.911 -1.573 10.807) 11.302 10.486 ( 10.724 -4.120 0.091) 11.489 10.830 ( 10.720 -4.064 -1.523) 11.566 11.105 ( 4.903 -10.766 5.096) 12.881 11.265 ( -4.965 -6.276 13.453) 15.653 11.476 ( -5.339 -18.686 14.574) 24.291 11.770 ( -5.453 5.697 0.936) 7.942 12.177 ( 1.005 -3.653 4.500) 5.883 12.196 ( 7.261 10.098 0.598) 12.452 12.459 ( -12.124 -8.090 -3.959) 15.103 13.342 ( -17.349 21.313 0.745) 27.491 15.155 ( 18.042 -10.088 -7.875) 22.120 16.462 ( 3.914 25.283 0.574) 25.591 16.804 ( -20.048 -3.450 -22.493) 30.328 18.131 ( 10.023 -22.644 -6.633) 25.636 ======================= Grid point 352 (119/279) ======================= q-point: (-0.40 0.30 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.887 ( -0.191 18.431 12.635) 22.346 4.203 ( -11.894 17.371 9.668) 23.166 4.909 ( 1.716 -1.240 3.825) 4.372 6.159 ( 7.718 21.333 12.570) 25.936 6.485 ( -19.172 2.784 9.203) 21.448 7.474 ( -7.832 8.660 1.045) 11.722 8.275 ( 11.831 -20.971 19.693) 31.106 8.617 ( 9.214 16.647 34.733) 39.603 9.231 ( -15.377 19.447 32.970) 41.252 10.194 ( 10.732 -7.349 -2.450) 13.236 10.585 ( -6.512 -5.916 0.085) 8.799 10.995 ( -2.273 0.129 19.695) 19.826 11.155 ( 6.482 -2.921 9.084) 11.535 11.402 ( 3.548 -9.346 12.882) 16.305 11.631 ( -1.565 -5.787 -4.682) 7.606 11.732 ( 4.148 -13.223 -0.767) 13.879 12.110 ( -3.802 6.041 -3.071) 7.771 12.305 ( 1.661 -3.639 0.801) 4.079 12.456 ( 1.636 -11.352 -8.294) 14.154 12.775 ( -17.473 23.381 5.949) 29.789 15.550 ( 16.068 -7.267 -10.990) 20.779 16.227 ( 2.038 22.508 3.374) 22.850 16.518 ( -17.359 -2.202 -19.970) 26.552 18.535 ( 6.161 -22.025 -4.429) 23.296 ======================= Grid point 353 (120/279) ======================= q-point: (-0.30 0.30 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 470 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.651 ( -0.000 22.544 14.914) 27.031 3.833 ( -0.000 22.808 13.458) 26.482 4.922 ( -0.000 1.366 10.193) 10.284 5.999 ( -0.000 16.177 13.215) 20.888 6.288 ( -0.000 3.869 6.244) 7.345 7.333 ( -0.000 2.218 0.702) 2.326 8.277 ( -0.000 29.154 48.240) 56.366 8.830 ( 0.000 -1.963 21.733) 21.821 8.872 ( 0.000 -8.234 29.390) 30.521 10.404 ( -0.000 5.104 1.532) 5.329 10.488 ( 0.000 -8.695 -8.670) 12.279 10.979 ( 0.000 -3.536 31.999) 32.194 11.243 ( 0.000 -1.064 5.902) 5.997 11.535 ( 0.000 -4.058 23.953) 24.294 11.690 ( 0.000 -6.497 -10.333) 12.206 11.867 ( -0.000 1.890 -10.251) 10.423 12.043 ( -0.000 17.870 4.215) 18.361 12.327 ( -0.000 8.556 0.316) 8.562 12.331 ( 0.000 -11.718 -3.451) 12.215 12.736 ( 0.000 -25.730 -6.204) 26.467 15.786 ( 0.000 -4.361 -12.909) 13.626 15.987 ( -0.000 22.086 3.956) 22.438 16.365 ( 0.000 -3.036 -19.673) 19.906 18.836 ( 0.000 -19.126 -5.037) 19.778 ======================= Grid point 360 (121/279) ======================= q-point: ( 0.40 -0.60 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 471 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.222 ( 1.411 0.000 14.789) 14.856 4.729 ( 7.224 0.000 -3.135) 7.875 4.758 ( -14.588 -0.000 2.325) 14.772 6.718 ( 20.107 0.000 13.062) 23.977 6.952 ( -26.954 -0.000 9.102) 28.449 7.169 ( 3.690 0.000 14.409) 14.874 8.201 ( -13.931 -0.000 8.830) 16.494 8.644 ( 1.321 0.000 12.740) 12.808 9.636 ( 13.942 0.000 17.728) 22.554 10.405 ( 0.619 0.000 14.722) 14.735 10.566 ( -13.764 -0.000 19.498) 23.867 10.590 ( 11.380 0.000 1.581) 11.490 10.891 ( 12.052 0.000 -12.876) 17.636 11.039 ( 4.983 0.000 4.792) 6.914 11.298 ( -7.732 -0.000 26.242) 27.357 11.874 ( -5.695 -0.000 4.884) 7.502 12.176 ( -14.833 -0.000 -3.004) 15.134 12.184 ( -4.957 -0.000 7.532) 9.017 12.467 ( 11.166 0.000 -0.618) 11.183 13.636 ( -18.674 -0.000 -6.121) 19.651 15.002 ( 21.365 0.000 -4.901) 21.920 16.712 ( -22.671 -0.000 -24.637) 33.481 16.920 ( 4.801 0.000 4.239) 6.404 17.746 ( 10.113 0.000 -6.773) 12.171 ======================= Grid point 362 (122/279) ======================= q-point: (-0.50 0.40 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.199 ( 0.959 7.128 14.092) 15.821 4.503 ( -9.390 7.404 4.084) 12.636 4.856 ( 4.571 -2.389 -4.080) 6.576 6.469 ( -22.368 -0.792 10.676) 24.798 6.801 ( 13.035 28.661 12.106) 33.733 7.545 ( 11.681 -19.366 16.318) 27.888 7.899 ( -12.883 3.117 3.973) 13.837 8.684 ( 0.892 -3.301 6.441) 7.292 9.866 ( 7.251 0.705 14.253) 16.007 10.022 ( -6.271 23.958 27.524) 37.026 10.549 ( -0.251 -3.912 9.861) 10.612 10.913 ( 9.057 -11.974 11.103) 18.673 11.071 ( -5.479 -4.030 19.679) 20.822 11.149 ( 7.973 -4.479 -0.916) 9.191 11.279 ( 7.244 -11.431 -2.010) 13.682 11.710 ( -9.516 4.473 -3.249) 11.005 11.930 ( -18.542 -8.334 -9.155) 22.296 12.190 ( 2.422 -3.637 8.003) 9.118 12.651 ( 15.485 9.345 -0.981) 18.113 13.249 ( -18.081 12.357 -3.291) 22.146 15.383 ( 19.055 -5.011 -8.738) 21.553 16.359 ( -20.105 -2.750 -20.734) 29.012 16.854 ( 2.713 19.345 6.975) 20.742 18.006 ( 5.460 -18.811 -3.395) 19.879 ======================= Grid point 363 (123/279) ======================= q-point: (-0.40 0.40 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 471 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.090 ( -0.000 13.378 13.143) 18.754 4.283 ( -0.000 14.329 5.799) 15.457 4.917 ( 0.000 -1.262 -0.456) 1.342 6.297 ( 0.000 -2.318 10.621) 10.871 6.555 ( -0.000 29.900 12.410) 32.374 7.537 ( -0.000 13.168 -1.127) 13.216 8.086 ( 0.000 -27.350 22.636) 35.502 8.750 ( 0.000 -4.822 8.415) 9.699 9.464 ( -0.000 39.373 42.513) 57.945 10.143 ( 0.000 -16.546 -0.011) 16.546 10.537 ( -0.000 4.699 2.129) 5.159 10.954 ( -0.000 0.821 23.693) 23.707 11.204 ( 0.000 -3.880 2.760) 4.762 11.275 ( 0.000 -15.667 23.046) 27.867 11.579 ( 0.000 -0.831 -3.438) 3.537 11.673 ( 0.000 -21.470 -13.330) 25.271 11.773 ( 0.000 -6.539 -11.965) 13.635 12.302 ( 0.000 -10.272 5.057) 11.449 12.720 ( -0.000 16.675 -0.043) 16.675 12.791 ( -0.000 22.183 -0.585) 22.191 15.651 ( 0.000 -5.939 -11.346) 12.806 16.200 ( 0.000 -5.316 -17.626) 18.410 16.607 ( -0.000 24.437 5.383) 25.023 18.312 ( 0.000 -23.565 -2.188) 23.666 ======================= Grid point 373 (124/279) ======================= q-point: (-0.50 0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.254 ( 0.000 -0.000 15.850) 15.850 4.462 ( 0.000 -0.000 2.477) 2.477 4.894 ( 0.000 -0.000 -6.790) 6.790 6.254 ( 0.000 -0.000 12.753) 12.753 7.267 ( 0.000 -0.000 9.374) 9.374 7.407 ( -0.000 0.000 22.438) 22.438 7.754 ( 0.000 -0.000 2.608) 2.608 8.659 ( 0.000 -0.000 -7.130) 7.130 9.914 ( 0.000 -0.000 9.894) 9.894 10.315 ( 0.000 -0.000 23.872) 23.872 10.332 ( -0.000 0.000 34.105) 34.105 10.926 ( 0.000 -0.000 15.735) 15.735 10.970 ( 0.000 -0.000 22.747) 22.747 11.282 ( 0.000 -0.000 -6.860) 6.860 11.322 ( -0.000 0.000 -16.157) 16.157 11.631 ( -0.000 0.000 -1.903) 1.903 11.634 ( 0.000 -0.000 -12.016) 12.016 12.195 ( 0.000 -0.000 9.244) 9.244 12.937 ( 0.000 -0.000 -2.774) 2.774 13.075 ( 0.000 -0.000 -2.770) 2.770 15.568 ( 0.000 -0.000 -10.286) 10.286 16.117 ( 0.000 -0.000 -19.243) 19.243 17.009 ( 0.000 -0.000 10.373) 10.373 17.926 ( 0.000 -0.000 -3.292) 3.292 ======================= Grid point 420 (125/279) ======================= q-point: ( 0.00 0.00 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 279 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.233 ( 0.000 0.000 34.537) 34.537 3.727 ( 0.000 0.000 35.037) 35.037 5.046 ( 0.000 0.000 31.188) 31.188 6.156 ( 0.000 0.000 8.900) 8.900 6.443 ( 0.000 0.000 24.653) 24.653 7.440 ( 0.000 0.000 60.710) 60.710 7.784 ( 0.000 0.000 7.892) 7.892 9.329 ( 0.000 0.000 26.285) 26.285 10.362 ( 0.000 0.000 -7.689) 7.689 10.484 ( 0.000 0.000 29.941) 29.941 10.497 ( 0.000 0.000 -6.891) 6.891 10.630 ( 0.000 0.000 41.356) 41.356 10.976 ( 0.000 0.000 18.203) 18.203 11.647 ( 0.000 0.000 8.288) 8.288 11.834 ( 0.000 0.000 -18.339) 18.339 12.032 ( 0.000 0.000 42.675) 42.675 12.350 ( 0.000 0.000 36.300) 36.300 12.568 ( 0.000 0.000 -32.631) 32.631 13.675 ( 0.000 0.000 -33.867) 33.867 13.794 ( 0.000 0.000 20.833) 20.833 14.873 ( 0.000 0.000 -15.355) 15.355 15.466 ( 0.000 0.000 -14.873) 14.873 15.876 ( 0.000 0.000 -17.056) 17.056 18.945 ( 0.000 0.000 -16.650) 16.650 ======================= Grid point 421 (126/279) ======================= q-point: ( 0.10 0.00 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.389 ( 13.465 -5.924 30.789) 34.123 3.736 ( 4.346 3.818 33.502) 33.998 5.093 ( 2.158 -3.636 27.521) 27.844 6.235 ( 8.111 -1.456 9.636) 12.679 6.412 ( 1.577 6.320 24.582) 25.430 7.574 ( 5.213 -13.928 58.272) 60.140 7.847 ( 9.890 3.361 9.570) 14.167 9.329 ( -0.793 -0.626 27.309) 27.328 10.141 ( -9.986 15.230 11.490) 21.534 10.495 ( -10.181 -12.262 15.299) 22.093 10.602 ( 8.793 -1.667 -1.696) 9.109 10.654 ( 0.785 -3.100 28.966) 29.142 10.935 ( -7.733 -6.695 15.551) 18.613 11.633 ( 0.859 3.926 8.579) 9.474 11.896 ( 7.907 1.301 -18.636) 20.286 12.138 ( 10.528 1.711 38.763) 40.204 12.451 ( 11.379 -1.302 35.140) 36.960 12.486 ( -3.688 7.726 -25.690) 27.079 13.481 ( -12.646 9.618 -26.527) 30.921 13.731 ( -1.365 10.003 14.517) 17.682 14.892 ( -3.621 -7.566 -12.551) 15.096 15.526 ( 5.184 1.463 -16.788) 17.631 15.944 ( 5.653 -5.512 -18.601) 20.208 18.844 ( -12.864 -1.756 -16.441) 20.949 ======================= Grid point 422 (127/279) ======================= q-point: ( 0.20 0.00 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 852 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.758 ( 15.731 -8.213 23.452) 29.410 3.817 ( 11.548 0.006 27.875) 30.172 5.166 ( 2.070 -1.440 19.301) 19.465 6.373 ( 4.160 7.410 24.315) 25.757 6.446 ( 11.814 -4.991 12.053) 17.600 7.908 ( 13.266 -15.107 44.670) 48.986 8.032 ( 15.518 1.696 19.523) 24.996 9.274 ( -5.909 4.993 27.918) 28.970 9.779 ( -13.067 6.898 16.448) 22.111 10.468 ( -9.919 -13.039 12.955) 20.886 10.632 ( -8.248 -6.655 24.861) 27.026 10.764 ( 3.096 -1.581 4.125) 5.394 11.001 ( 8.560 -5.529 0.368) 10.197 11.580 ( 0.489 6.667 9.347) 11.492 12.003 ( 2.698 4.648 -18.440) 19.207 12.172 ( -0.173 8.003 1.548) 8.153 12.372 ( 8.806 12.296 18.496) 23.892 12.740 ( 13.097 -7.019 28.216) 31.889 13.128 ( -12.759 7.905 -16.817) 22.541 13.554 ( 1.813 17.206 11.129) 20.571 14.907 ( -7.587 -9.856 -7.997) 14.787 15.528 ( 1.224 7.262 -17.879) 19.337 16.212 ( 13.630 -10.679 -22.244) 28.189 18.580 ( -21.119 -2.842 -16.690) 27.068 ======================= Grid point 423 (128/279) ======================= q-point: ( 0.30 0.00 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.973 ( 11.881 -1.343 21.201) 24.340 4.196 ( 14.156 -12.482 16.282) 24.926 5.178 ( 0.702 3.564 10.148) 10.779 6.373 ( 5.615 6.673 25.903) 27.332 6.739 ( 11.211 -11.813 15.311) 22.353 8.260 ( 15.230 6.694 16.863) 23.688 8.362 ( 19.382 -11.326 36.711) 43.030 8.967 ( -11.874 12.479 19.475) 26.000 9.668 ( -3.277 -8.852 24.779) 26.516 10.479 ( -6.404 -10.913 13.088) 18.205 10.523 ( -14.842 -8.880 17.318) 24.475 10.838 ( -1.731 -9.478 3.631) 10.296 11.178 ( 11.025 10.754 0.145) 15.401 11.510 ( -4.395 2.764 8.620) 10.062 11.759 ( -8.001 9.141 -3.849) 12.743 12.152 ( 6.165 13.330 -3.852) 15.183 12.382 ( 6.664 11.365 22.948) 26.461 12.688 ( -16.003 -0.034 -18.018) 24.099 13.217 ( 16.456 -5.147 29.182) 33.895 13.477 ( 12.173 12.453 8.214) 19.255 14.858 ( -10.918 -7.974 -6.703) 15.090 15.419 ( -2.083 8.885 -17.356) 19.609 16.603 ( 17.546 -9.944 -23.896) 31.269 18.229 ( -24.119 -2.431 -18.322) 30.386 ======================= Grid point 424 (129/279) ======================= q-point: ( 0.40 0.00 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 852 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.189 ( 10.034 -2.120 14.765) 17.977 4.507 ( 5.682 -10.844 15.384) 19.661 5.117 ( -0.142 6.297 0.545) 6.322 6.392 ( 4.171 4.526 29.497) 30.133 7.104 ( 10.618 -19.003 18.622) 28.647 8.112 ( -12.062 19.663 22.655) 32.332 8.724 ( 17.367 7.792 4.781) 19.626 8.978 ( 15.551 -9.234 21.488) 28.086 9.800 ( -0.088 -15.627 25.653) 30.038 10.345 ( -11.723 -2.836 23.636) 26.535 10.522 ( -7.375 -12.686 6.300) 15.969 10.799 ( -10.622 5.201 7.188) 13.840 11.126 ( 3.434 16.225 6.014) 17.642 11.311 ( -6.977 -6.277 7.142) 11.794 11.789 ( 6.808 0.086 3.023) 7.450 12.030 ( 1.528 12.349 3.032) 12.807 12.303 ( -0.260 10.539 15.142) 18.451 12.473 ( -8.596 -0.097 -13.320) 15.853 13.517 ( 12.438 -3.275 17.518) 21.732 13.640 ( 13.526 2.305 17.410) 22.167 14.741 ( -10.579 -4.044 -10.697) 15.579 15.278 ( -2.937 6.364 -14.965) 16.525 17.016 ( 19.687 -6.801 -23.075) 31.085 17.844 ( -23.556 -0.318 -21.175) 31.676 ======================= Grid point 425 (130/279) ======================= q-point: (-0.50 0.00 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 442 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.299 ( 0.000 0.000 11.443) 11.443 4.622 ( -0.000 -0.000 19.426) 19.426 5.068 ( 0.000 -0.000 -6.396) 6.396 6.400 ( 0.000 0.000 31.578) 31.578 7.451 ( -0.000 0.000 27.374) 27.374 7.725 ( 0.000 -0.000 10.026) 10.026 8.822 ( 0.000 -0.000 13.134) 13.134 9.245 ( -0.000 -0.000 2.534) 2.534 9.909 ( -0.000 0.000 14.919) 14.919 10.325 ( -0.000 0.000 28.252) 28.252 10.420 ( 0.000 -0.000 35.214) 35.214 10.639 ( 0.000 -0.000 -3.158) 3.158 11.024 ( 0.000 -0.000 9.919) 9.919 11.375 ( 0.000 -0.000 -3.021) 3.021 11.775 ( 0.000 -0.000 5.953) 5.953 12.049 ( 0.000 -0.000 11.395) 11.395 12.189 ( 0.000 0.000 8.553) 8.553 12.404 ( 0.000 -0.000 -10.942) 10.942 13.659 ( 0.000 0.000 14.798) 14.798 13.754 ( -0.000 -0.000 21.151) 21.151 14.660 ( 0.000 -0.000 -15.178) 15.178 15.208 ( 0.000 -0.000 -13.210) 13.210 17.361 ( 0.000 -0.000 -16.825) 16.825 17.509 ( -0.000 -0.000 -28.125) 28.125 ======================= Grid point 432 (131/279) ======================= q-point: ( 0.10 0.10 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 470 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.635 ( 18.507 0.000 26.005) 31.919 3.857 ( 7.380 0.000 29.066) 29.989 5.135 ( 4.972 0.000 23.591) 24.109 6.388 ( 10.235 0.000 12.438) 16.108 6.481 ( 2.252 0.000 22.518) 22.630 7.667 ( 16.041 0.000 57.614) 59.806 8.103 ( 18.067 0.000 8.536) 19.982 9.306 ( -1.771 -0.000 30.422) 30.474 9.970 ( -23.001 -0.000 27.325) 35.717 10.207 ( -10.114 -0.000 -6.997) 12.298 10.545 ( -4.128 -0.000 33.908) 34.158 10.729 ( -9.525 -0.000 14.179) 17.081 10.947 ( 21.171 0.000 -5.280) 21.820 11.687 ( 2.226 0.000 8.025) 8.328 12.054 ( 6.754 0.000 -20.105) 21.209 12.279 ( 2.884 0.000 5.187) 5.935 12.563 ( 9.379 0.000 14.627) 17.375 12.624 ( 9.383 0.000 27.476) 29.034 13.211 ( -21.666 -0.000 -18.263) 28.336 13.786 ( -0.360 -0.000 20.684) 20.687 14.767 ( -6.031 -0.000 -14.545) 15.745 15.698 ( 10.793 0.000 -21.309) 23.886 16.004 ( 7.774 0.000 -20.533) 21.956 18.532 ( -22.045 -0.000 -16.363) 27.454 ======================= Grid point 433 (132/279) ======================= q-point: ( 0.20 0.10 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.953 ( 14.866 -3.070 20.855) 25.794 4.003 ( 11.043 -1.186 22.323) 24.933 5.223 ( 4.695 0.580 15.090) 15.815 6.506 ( 3.590 3.439 21.425) 21.995 6.557 ( 7.292 -3.794 16.915) 18.807 8.072 ( 25.147 -6.732 54.856) 60.720 8.443 ( 25.592 4.322 4.808) 26.397 9.233 ( -6.476 5.706 31.686) 32.840 9.566 ( -17.470 1.781 20.492) 26.987 10.070 ( -16.532 -13.178 -1.456) 21.192 10.468 ( -7.027 -1.621 28.562) 29.459 10.634 ( -5.043 -5.918 7.824) 11.030 11.289 ( 18.473 0.673 -2.713) 18.683 11.686 ( 1.663 7.452 7.872) 10.967 11.971 ( -10.085 5.919 -11.645) 16.504 12.379 ( 11.091 5.413 -6.877) 14.128 12.598 ( -15.253 -2.399 -5.498) 16.390 12.677 ( 4.175 9.176 23.123) 25.225 13.055 ( 4.919 -7.656 22.559) 24.325 13.743 ( 2.904 7.609 17.839) 19.611 14.678 ( -9.042 -5.398 -11.832) 15.840 15.756 ( 8.413 16.274 -22.040) 28.660 16.290 ( 14.024 -14.895 -22.937) 30.735 18.144 ( -25.572 -2.974 -18.023) 31.426 ======================= Grid point 434 (133/279) ======================= q-point: ( 0.30 0.10 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.167 ( 11.388 0.001 15.768) 19.450 4.265 ( 9.460 -8.380 16.565) 20.835 5.250 ( 1.521 4.209 6.243) 7.681 6.507 ( 1.421 4.471 24.325) 24.773 6.758 ( 8.262 -10.208 18.873) 22.993 8.478 ( 13.291 8.047 42.184) 44.954 8.888 ( 30.910 3.003 8.152) 32.107 8.921 ( -6.122 10.388 16.149) 20.154 9.470 ( -5.227 -11.791 24.168) 27.394 9.970 ( -18.184 -20.507 4.069) 27.709 10.361 ( -7.708 -2.647 21.215) 22.727 10.688 ( -1.448 -10.524 2.096) 10.828 11.410 ( -11.814 8.919 9.464) 17.569 11.548 ( 9.146 14.080 2.665) 17.000 11.796 ( 1.556 4.493 4.748) 6.719 12.331 ( -16.711 -7.466 -11.568) 21.652 12.407 ( 1.994 12.319 -4.171) 13.158 12.597 ( 0.800 13.119 21.145) 24.897 13.288 ( 4.231 -12.151 25.236) 28.327 13.783 ( 11.962 5.772 12.726) 18.394 14.577 ( -11.756 -7.115 -9.366) 16.630 15.657 ( 7.855 21.664 -20.040) 30.539 16.747 ( 17.876 -15.645 -22.413) 32.660 17.764 ( -25.103 -4.843 -21.177) 33.197 ======================= Grid point 435 (134/279) ======================= q-point: ( 0.40 0.10 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.304 ( 3.594 0.406 11.329) 11.892 4.504 ( 8.377 -7.463 15.526) 19.155 5.172 ( -2.998 6.453 -1.185) 7.214 6.441 ( -3.252 3.450 28.971) 29.356 7.102 ( 14.539 -15.867 18.659) 28.483 8.198 ( -10.920 25.790 19.958) 34.390 8.811 ( -6.363 0.536 14.752) 16.075 9.299 ( 4.997 2.830 3.656) 6.808 9.684 ( 19.997 -14.323 23.534) 34.042 10.044 ( 0.380 -19.893 17.100) 26.236 10.307 ( -5.870 -8.739 11.150) 15.334 10.705 ( -8.061 6.351 9.885) 14.249 11.097 ( -8.098 -5.502 12.293) 15.715 11.490 ( 8.120 21.063 5.874) 23.325 11.872 ( 4.285 -3.813 8.168) 9.981 12.152 ( -7.999 10.013 -0.464) 12.824 12.263 ( -5.653 -1.705 -3.554) 6.891 12.411 ( -4.882 10.424 11.933) 16.580 13.420 ( -7.165 -12.950 16.619) 22.254 13.918 ( 7.720 6.770 17.324) 20.138 14.503 ( -5.405 -9.313 -14.529) 18.084 15.539 ( 10.203 22.757 -14.636) 28.917 17.228 ( 17.866 -11.548 -18.246) 28.026 17.426 ( -20.704 -5.686 -25.987) 33.709 ======================= Grid point 436 (135/279) ======================= q-point: (-0.50 0.10 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.260 ( -5.530 3.553 12.273) 13.922 4.682 ( 4.838 1.111 17.312) 18.010 5.029 ( -5.651 1.460 -5.972) 8.351 6.338 ( -5.452 0.835 30.328) 30.825 7.562 ( 10.955 -0.564 23.093) 25.566 7.720 ( -5.554 6.879 9.477) 12.960 8.558 ( -25.031 -5.539 2.753) 25.784 9.202 ( -4.075 7.491 21.832) 23.439 10.130 ( 10.000 6.042 12.950) 17.441 10.353 ( -6.584 1.010 28.594) 29.359 10.377 ( 13.786 -13.189 23.624) 30.366 10.489 ( 5.690 -15.771 0.290) 16.769 11.211 ( 5.137 -4.537 1.597) 7.038 11.391 ( 5.759 12.013 2.816) 13.617 11.840 ( -3.535 13.255 5.640) 14.832 11.995 ( -4.448 -2.498 10.494) 11.669 12.141 ( -6.309 1.586 7.483) 9.916 12.349 ( 0.091 -8.160 -3.780) 8.994 13.346 ( -18.150 -11.240 5.535) 22.054 13.781 ( -11.906 7.805 23.847) 27.773 14.668 ( 10.354 -7.716 -16.726) 21.130 15.477 ( 12.426 19.811 -7.864) 24.673 17.074 ( -20.636 -1.413 -23.902) 31.609 17.734 ( 21.276 -9.905 -19.366) 30.427 ======================= Grid point 437 (136/279) ======================= q-point: (-0.40 0.10 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.065 ( -9.742 6.266 16.941) 20.523 4.517 ( -11.392 13.567 11.811) 21.292 5.054 ( 2.053 -6.544 4.476) 8.190 6.255 ( -5.098 -1.990 27.894) 28.426 7.117 ( -17.328 19.916 13.000) 29.426 8.041 ( -10.630 -10.160 9.450) 17.479 8.352 ( 6.128 -14.115 13.753) 20.638 9.004 ( -3.402 14.510 33.030) 36.237 9.931 ( -5.593 13.441 30.037) 33.379 10.364 ( -1.221 -9.793 17.253) 19.876 10.756 ( 9.394 -5.454 -0.499) 10.874 10.863 ( 12.162 -13.793 7.625) 19.907 11.169 ( 4.208 21.655 6.300) 22.942 11.501 ( 10.980 -5.019 -0.965) 12.111 11.702 ( -4.284 6.089 4.411) 8.654 11.854 ( -5.767 -5.594 1.627) 8.197 12.150 ( -4.045 -8.118 17.857) 20.028 12.534 ( 6.992 -12.497 -8.578) 16.693 13.135 ( -20.562 -11.344 -1.278) 23.519 13.411 ( -20.562 6.790 27.414) 34.934 14.939 ( 13.341 -2.328 -13.524) 19.139 15.474 ( 10.887 14.277 -4.790) 18.582 16.739 ( -19.233 1.650 -24.509) 31.198 18.192 ( 21.540 -6.355 -16.835) 28.067 ======================= Grid point 438 (137/279) ======================= q-point: (-0.30 0.10 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.828 ( -9.177 5.244 23.678) 25.930 4.090 ( -17.253 15.353 15.659) 27.903 5.153 ( 2.052 -2.938 12.626) 13.125 6.216 ( -3.900 -4.257 25.013) 25.670 6.638 ( -16.722 11.396 10.970) 23.018 7.818 ( -18.106 -7.934 5.220) 20.446 8.515 ( 1.952 24.657 52.261) 57.819 9.017 ( 12.686 -13.775 18.060) 26.016 9.757 ( -2.318 3.610 24.426) 24.800 10.467 ( -0.857 -9.783 16.609) 19.295 10.795 ( -8.755 0.382 -3.395) 9.399 10.986 ( 10.505 17.903 8.921) 22.593 11.160 ( 11.737 4.657 7.851) 14.869 11.525 ( -2.560 5.057 6.358) 8.518 11.810 ( 7.234 -11.385 -9.655) 16.588 11.928 ( -0.290 -11.063 -4.957) 12.127 12.132 ( -8.263 -6.468 26.200) 28.223 12.834 ( 7.363 -14.333 -16.005) 22.711 12.916 ( -21.157 3.745 26.762) 34.320 13.090 ( -10.584 -17.762 4.115) 21.082 15.136 ( 12.333 6.427 -8.997) 16.563 15.493 ( 6.251 6.865 -7.787) 12.118 16.397 ( -16.980 4.390 -23.199) 29.083 18.590 ( 18.739 -3.314 -15.749) 24.702 ======================= Grid point 439 (138/279) ======================= q-point: (-0.20 0.10 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.642 ( -13.223 14.299 24.489) 31.290 3.667 ( -5.179 0.846 30.236) 30.688 5.180 ( 0.483 1.977 19.404) 19.510 6.228 ( -2.229 -6.422 23.917) 24.864 6.314 ( -9.809 5.085 9.967) 14.880 7.684 ( -8.951 -7.757 7.363) 13.946 8.147 ( -2.457 30.248 58.508) 65.911 9.314 ( 5.089 -3.687 24.742) 25.528 9.817 ( 4.253 -11.321 14.766) 19.086 10.528 ( -6.458 -5.862 2.750) 9.145 10.627 ( -2.836 1.577 15.882) 16.210 10.992 ( 12.797 18.707 11.328) 25.338 11.186 ( 6.494 13.148 9.255) 17.341 11.528 ( 1.481 -3.042 9.922) 10.483 11.832 ( -7.372 -4.146 -15.529) 17.683 12.046 ( -10.284 -8.534 32.665) 35.293 12.198 ( 8.214 -11.085 -14.827) 20.253 12.511 ( -17.571 3.161 33.669) 38.109 13.100 ( 1.562 -20.751 -12.048) 24.046 13.332 ( 4.177 -21.341 -6.571) 22.717 15.177 ( 7.488 14.799 -5.813) 17.575 15.518 ( 2.081 1.552 -13.503) 13.750 16.094 ( -11.040 5.309 -20.044) 23.491 18.875 ( 11.598 -0.767 -15.978) 19.758 ======================= Grid point 440 (139/279) ======================= q-point: (-0.10 0.10 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 470 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.371 ( -0.000 11.062 30.828) 32.753 3.645 ( 0.000 -3.942 34.291) 34.517 5.135 ( -0.000 5.160 25.178) 25.701 6.184 ( -0.000 2.544 8.905) 9.261 6.303 ( 0.000 -8.498 25.163) 26.559 7.698 ( 0.000 -6.666 7.841) 10.291 7.783 ( -0.000 25.734 59.876) 65.172 9.347 ( -0.000 0.988 25.792) 25.810 10.038 ( 0.000 -15.386 11.198) 19.030 10.473 ( 0.000 -1.670 -6.100) 6.324 10.629 ( -0.000 0.923 29.883) 29.897 10.885 ( -0.000 19.266 16.603) 25.433 11.108 ( -0.000 10.259 12.960) 16.529 11.581 ( 0.000 -3.781 10.284) 10.957 11.801 ( 0.000 -2.782 -18.211) 18.423 12.009 ( 0.000 -2.918 42.064) 42.165 12.336 ( 0.000 -1.119 36.334) 36.351 12.413 ( 0.000 -10.907 -29.338) 31.300 13.373 ( 0.000 -20.742 -10.826) 23.398 13.606 ( 0.000 -16.589 -7.260) 18.108 15.059 ( -0.000 14.127 -8.568) 16.523 15.505 ( -0.000 2.680 -14.872) 15.111 15.944 ( -0.000 4.435 -17.624) 18.174 18.973 ( -0.000 1.202 -16.584) 16.628 ======================= Grid point 443 (140/279) ======================= q-point: ( 0.20 0.20 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 471 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.157 ( 11.225 0.000 17.840) 21.078 4.172 ( 10.460 0.000 15.701) 18.866 5.301 ( 3.012 0.000 8.716) 9.222 6.600 ( 5.188 0.000 17.897) 18.634 6.600 ( 2.061 0.000 22.122) 22.218 8.540 ( 32.252 0.000 51.607) 60.856 8.956 ( 31.030 0.000 2.148) 31.104 9.189 ( -5.608 -0.000 34.549) 35.001 9.268 ( -15.392 -0.000 16.776) 22.767 9.646 ( -23.193 -0.000 -3.824) 23.506 10.339 ( -8.069 -0.000 19.040) 20.679 10.524 ( -2.873 -0.000 3.694) 4.680 11.500 ( 4.019 0.000 4.444) 5.992 11.782 ( 1.438 0.000 5.215) 5.409 11.873 ( -3.702 -0.000 -3.862) 5.350 12.175 ( -22.846 -0.000 -4.531) 23.291 12.580 ( 6.471 0.000 -3.887) 7.549 12.852 ( 1.712 0.000 24.525) 24.585 13.045 ( 1.453 0.000 21.954) 22.003 13.861 ( 7.697 0.000 17.603) 19.213 14.479 ( -11.111 -0.000 -13.201) 17.255 16.083 ( 12.299 0.000 -21.157) 24.472 16.402 ( 15.808 0.000 -21.880) 26.993 17.693 ( -25.418 -0.000 -20.671) 32.762 ======================= Grid point 444 (141/279) ======================= q-point: ( 0.30 0.20 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.312 ( 5.872 0.013 13.104) 14.359 4.361 ( 10.538 -3.384 11.690) 16.099 5.293 ( -2.324 2.929 2.985) 4.785 6.561 ( -0.225 6.465 24.114) 24.967 6.791 ( 9.615 -10.360 17.098) 22.183 8.803 ( -6.514 23.672 25.121) 35.127 8.905 ( -6.749 7.361 18.933) 21.405 9.215 ( -4.147 -11.534 19.285) 22.851 9.397 ( 8.659 -12.558 20.901) 25.875 9.611 ( 24.766 -9.042 0.634) 26.373 10.200 ( -8.492 -1.246 9.581) 12.863 10.552 ( -0.377 -8.989 -0.823) 9.035 11.319 ( -13.919 14.825 14.934) 25.231 11.713 ( -5.170 -6.012 2.264) 8.246 11.897 ( 3.280 3.593 9.125) 10.341 11.992 ( -3.385 -3.367 3.634) 6.000 12.545 ( -4.125 9.701 2.114) 10.751 12.706 ( -6.129 12.219 16.361) 21.320 13.103 ( -7.385 -12.824 15.045) 21.103 14.036 ( 12.565 2.997 12.888) 18.247 14.310 ( -10.708 -5.615 -12.904) 17.683 16.122 ( 13.398 23.231 -16.243) 31.353 16.841 ( 18.375 -18.804 -19.558) 32.768 17.307 ( -23.111 -3.264 -23.256) 32.949 ======================= Grid point 445 (142/279) ======================= q-point: ( 0.40 0.20 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 852 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.344 ( 0.217 3.419 10.745) 11.278 4.589 ( 9.438 -6.002 10.120) 15.083 5.150 ( -8.636 5.587 -0.820) 10.319 6.453 ( -1.288 8.814 26.017) 27.500 7.178 ( 16.836 -17.382 14.698) 28.313 8.298 ( -17.816 25.235 15.537) 34.577 8.494 ( -27.724 1.314 1.325) 27.787 9.254 ( -1.026 -3.695 23.756) 24.063 9.882 ( 16.031 -21.050 26.217) 37.248 10.115 ( -1.029 -2.616 5.032) 5.764 10.171 ( 25.903 -5.184 -1.296) 26.448 10.685 ( 1.439 -1.084 4.356) 4.714 10.913 ( -10.783 4.155 18.351) 21.686 11.764 ( -3.756 -13.680 6.554) 15.627 11.854 ( 5.598 14.348 12.011) 19.532 12.030 ( 0.433 -3.172 9.339) 9.873 12.247 ( -12.765 12.841 4.252) 18.600 12.446 ( -6.792 12.155 8.559) 16.344 13.052 ( -17.201 -13.138 5.696) 22.381 13.948 ( -12.734 6.057 8.789) 16.616 14.467 ( 13.989 -8.500 -8.717) 18.545 16.052 ( 14.076 26.559 -9.612) 31.558 16.988 ( -21.005 -4.797 -24.971) 32.981 17.387 ( 19.567 -18.594 -16.128) 31.444 ======================= Grid point 446 (143/279) ======================= q-point: (-0.50 0.20 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.240 ( -4.330 7.864 11.903) 14.909 4.763 ( 0.727 2.927 14.233) 14.549 4.921 ( -6.970 -0.802 -4.398) 8.280 6.330 ( -0.421 8.896 25.163) 26.692 7.626 ( -26.227 18.187 12.945) 34.441 7.724 ( 15.336 -16.574 11.189) 25.201 8.085 ( -16.605 -2.106 0.040) 16.738 9.252 ( -0.366 2.849 28.568) 28.712 10.100 ( -3.640 -10.618 6.441) 12.942 10.322 ( -4.941 11.516 28.546) 31.176 10.478 ( 11.377 -7.422 16.663) 21.498 10.599 ( 15.592 -5.874 -0.589) 16.673 11.118 ( 8.238 -19.225 -5.618) 21.657 11.727 ( -0.872 19.282 8.715) 21.177 11.858 ( -4.210 -6.801 10.148) 12.922 11.898 ( -2.936 8.422 4.921) 10.186 12.071 ( -1.631 1.278 11.516) 11.701 12.274 ( -0.660 -0.746 5.647) 5.734 12.855 ( -23.194 -12.214 -2.700) 26.352 13.595 ( -18.736 7.879 13.531) 24.417 14.818 ( 16.039 -6.715 -9.553) 19.840 15.972 ( 12.926 25.360 -3.639) 28.696 16.703 ( -19.503 -3.800 -24.615) 31.634 17.919 ( 18.920 -16.395 -13.895) 28.633 ======================= Grid point 447 (144/279) ======================= q-point: (-0.40 0.20 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 852 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.036 ( -5.704 11.226 16.008) 20.367 4.448 ( -15.316 13.987 8.754) 22.513 5.034 ( 4.404 -6.826 7.538) 11.082 6.236 ( 0.362 6.955 22.523) 23.576 6.966 ( -25.031 14.726 10.432) 30.858 7.677 ( -16.036 -2.198 3.438) 16.547 8.464 ( 23.743 -21.255 11.986) 34.047 9.157 ( -0.092 13.404 36.306) 38.701 9.947 ( -11.304 14.844 35.564) 40.161 10.199 ( -0.445 -11.390 4.598) 12.292 10.722 ( -2.504 -6.853 -1.515) 7.452 10.972 ( 16.799 -10.301 3.595) 20.031 11.406 ( 0.074 -2.174 -3.456) 4.083 11.512 ( 1.909 -3.717 0.621) 4.224 11.749 ( -4.284 7.390 9.925) 13.095 11.866 ( 7.533 9.700 4.477) 13.072 12.053 ( 0.453 0.219 16.710) 16.718 12.442 ( 4.411 -16.316 3.612) 17.283 12.618 ( -21.918 -14.650 -7.769) 27.484 13.158 ( -20.112 9.339 19.657) 29.633 15.144 ( 15.144 -3.850 -11.084) 19.157 15.878 ( 9.493 22.745 -0.343) 24.649 16.419 ( -18.349 -1.945 -23.341) 29.753 18.392 ( 15.979 -13.533 -12.810) 24.547 ======================= Grid point 448 (145/279) ======================= q-point: (-0.30 0.20 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.816 ( -3.602 11.429 21.470) 24.588 4.021 ( -12.406 16.440 15.122) 25.551 5.157 ( 2.444 -3.763 12.461) 13.244 6.178 ( 0.226 3.584 20.861) 21.167 6.490 ( -14.052 9.317 9.738) 19.471 7.507 ( -9.185 -5.802 5.546) 12.198 8.905 ( 2.480 29.729 50.824) 58.932 9.074 ( 17.160 -16.806 15.293) 28.475 9.661 ( -11.169 -0.652 25.567) 27.908 10.340 ( 1.908 -9.050 1.798) 9.422 10.625 ( -10.240 -1.337 1.019) 10.377 11.286 ( 12.176 -0.653 4.958) 13.163 11.450 ( 9.568 0.972 1.366) 9.713 11.550 ( -2.506 6.805 1.539) 7.413 11.708 ( -0.317 -6.390 1.346) 6.538 11.818 ( -5.630 3.794 4.976) 8.417 12.114 ( 8.410 0.369 17.723) 19.620 12.542 ( -13.279 -12.823 5.751) 19.334 12.575 ( -13.073 -13.052 5.198) 19.190 12.895 ( 0.592 -9.906 3.048) 10.381 15.405 ( 13.409 0.905 -12.183) 18.140 15.736 ( 2.988 19.715 -1.130) 19.972 16.153 ( -14.098 -0.542 -20.706) 25.056 18.753 ( 9.775 -10.080 -13.228) 19.291 ======================= Grid point 449 (146/279) ======================= q-point: (-0.20 0.20 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 471 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.671 ( -0.000 7.287 26.905) 27.874 3.709 ( -0.000 16.421 22.182) 27.599 5.200 ( 0.000 -0.320 16.692) 16.695 6.165 ( 0.000 -1.475 22.133) 22.182 6.284 ( -0.000 5.971 8.983) 10.786 7.513 ( 0.000 -7.946 7.056) 10.627 8.525 ( -0.000 34.575 57.414) 67.021 9.342 ( 0.000 -2.166 23.474) 23.574 9.672 ( 0.000 -15.686 15.581) 22.109 10.422 ( 0.000 -2.927 -7.884) 8.410 10.570 ( 0.000 -5.099 16.965) 17.715 11.359 ( -0.000 16.205 12.136) 20.245 11.398 ( -0.000 12.101 0.842) 12.130 11.564 ( -0.000 5.675 10.200) 11.673 11.684 ( 0.000 -8.986 -14.591) 17.136 11.803 ( 0.000 -11.862 16.516) 20.334 12.267 ( -0.000 1.284 3.170) 3.420 12.301 ( 0.000 -1.810 33.515) 33.564 12.795 ( 0.000 -27.367 -4.744) 27.775 13.132 ( 0.000 -20.229 -10.835) 22.948 15.477 ( -0.000 20.747 -3.176) 20.989 15.556 ( -0.000 0.991 -14.176) 14.211 16.020 ( -0.000 1.119 -17.984) 18.019 18.933 ( 0.000 -5.712 -14.676) 15.748 ======================= Grid point 454 (147/279) ======================= q-point: ( 0.30 0.30 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 470 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.408 ( 4.469 0.000 13.623) 14.337 4.487 ( 7.685 0.000 4.277) 8.795 5.221 ( -8.526 -0.000 1.416) 8.643 6.666 ( 4.542 0.000 23.753) 24.184 6.868 ( 11.344 0.000 13.214) 17.415 8.477 ( -37.924 -0.000 5.421) 38.309 8.788 ( -11.064 -0.000 10.624) 15.339 9.115 ( -6.624 -0.000 20.251) 21.306 9.553 ( 22.980 0.000 31.782) 39.220 10.069 ( 0.364 0.000 -0.934) 1.002 10.175 ( 30.350 0.000 1.458) 30.385 10.491 ( 0.664 0.000 -4.751) 4.797 11.298 ( -7.036 -0.000 21.457) 22.581 11.384 ( -13.173 -0.000 14.199) 19.368 11.919 ( 0.019 0.000 15.243) 15.243 12.106 ( 8.414 0.000 6.861) 10.857 12.460 ( -13.752 -0.000 6.229) 15.097 12.654 ( -9.689 -0.000 11.653) 15.155 12.806 ( -15.929 -0.000 4.248) 16.486 14.038 ( -14.939 -0.000 -10.810) 18.440 14.337 ( 18.055 0.000 6.286) 19.118 16.534 ( 14.248 0.000 -9.972) 17.391 16.876 ( -14.063 -0.000 -27.450) 30.842 17.047 ( 12.055 0.000 -13.287) 17.941 ======================= Grid point 455 (148/279) ======================= q-point: (-0.60 0.30 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.416 ( 1.167 6.495 10.584) 12.473 4.649 ( 6.625 -6.536 4.289) 10.247 5.017 ( -13.063 3.356 1.406) 13.561 6.651 ( 7.097 16.144 20.014) 26.675 7.237 ( 16.326 -19.482 11.877) 28.056 7.818 ( -39.075 0.284 6.719) 39.650 8.422 ( -13.516 21.818 4.948) 26.138 9.109 ( -6.219 -13.277 17.401) 22.754 9.814 ( 1.157 -9.079 7.709) 11.967 10.232 ( 18.620 -2.510 9.120) 20.885 10.504 ( 9.405 1.495 -4.141) 10.384 10.721 ( 14.150 -12.320 -2.297) 18.902 10.944 ( -4.609 23.963 30.612) 39.148 11.484 ( -2.212 -20.736 21.204) 29.740 11.902 ( -3.928 -1.387 20.341) 20.763 12.109 ( -17.669 9.474 1.312) 20.091 12.216 ( 9.823 7.555 5.662) 13.624 12.444 ( -8.029 6.210 9.247) 13.731 12.576 ( -20.792 -9.921 -1.600) 23.093 13.751 ( -16.441 4.310 -5.114) 17.749 14.670 ( 17.747 -4.420 0.185) 18.290 16.529 ( -5.136 11.093 -16.851) 20.818 16.657 ( -1.038 8.326 -12.833) 15.332 17.469 ( 17.243 -18.698 -11.453) 27.895 ======================= Grid point 456 (149/279) ======================= q-point: (-0.50 0.30 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.308 ( -1.101 11.042 10.504) 15.280 4.716 ( -13.580 8.133 5.084) 16.626 4.847 ( 5.020 -8.618 3.512) 10.574 6.557 ( 7.147 19.453 17.670) 27.234 7.181 ( -32.556 2.177 10.950) 34.417 7.756 ( 5.417 -6.280 7.723) 11.332 8.008 ( 0.814 -0.398 1.491) 1.745 9.155 ( -7.195 -12.432 17.952) 22.991 9.931 ( 1.362 -9.090 -1.166) 9.265 10.477 ( -5.979 22.095 30.435) 38.082 10.555 ( 9.985 -2.433 10.045) 14.371 10.769 ( 13.568 -5.592 -0.417) 14.681 11.084 ( 8.334 -11.760 -1.061) 14.453 11.633 ( -17.551 6.270 2.249) 18.772 11.711 ( 1.478 -13.548 18.213) 22.747 11.933 ( -2.954 -3.823 18.793) 19.404 12.202 ( -6.394 2.860 2.186) 7.337 12.331 ( 4.898 6.607 3.314) 8.867 12.358 ( -10.313 -2.436 1.326) 10.679 13.383 ( -18.148 8.794 3.201) 20.419 15.019 ( 16.551 -5.629 -5.226) 18.246 16.288 ( -14.923 -1.281 -19.698) 24.746 16.526 ( 6.613 23.611 -3.568) 24.778 17.972 ( 13.815 -20.932 -9.733) 26.902 ======================= Grid point 457 (150/279) ======================= q-point: (-0.40 0.30 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.140 ( -0.327 14.434 12.858) 19.333 4.375 ( -11.367 12.673 7.499) 18.602 5.019 ( 3.447 -7.530 7.022) 10.858 6.434 ( 4.725 17.887 16.046) 24.489 6.694 ( -18.746 6.223 12.062) 23.143 7.500 ( -9.617 7.338 1.991) 12.259 8.559 ( 20.082 -25.888 9.296) 34.057 9.161 ( -6.966 -9.362 18.566) 21.928 9.963 ( -5.550 17.648 29.519) 34.837 10.178 ( 3.180 2.127 8.960) 9.742 10.590 ( -5.617 0.539 4.478) 7.204 11.139 ( 13.667 -7.136 0.602) 15.430 11.317 ( 3.454 -9.706 -10.859) 14.968 11.412 ( -3.069 -7.367 2.851) 8.475 11.764 ( -1.203 2.563 19.037) 19.247 11.954 ( -16.099 -14.422 -9.964) 23.801 12.055 ( -2.712 -5.877 24.814) 25.644 12.280 ( 4.324 9.122 -5.080) 11.301 12.437 ( 9.543 0.682 9.454) 13.450 12.958 ( -17.592 9.976 12.199) 23.618 15.342 ( 14.146 -4.643 -9.517) 17.671 16.074 ( -14.459 -4.740 -18.678) 24.091 16.316 ( 4.143 26.870 -0.290) 27.189 18.399 ( 8.154 -19.321 -9.541) 23.040 ======================= Grid point 458 (151/279) ======================= q-point: (-0.30 0.30 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 470 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.962 ( -0.000 15.640 16.316) 22.601 4.095 ( -0.000 15.273 12.708) 19.868 5.126 ( 0.000 -5.523 10.179) 11.581 6.293 ( -0.000 13.204 17.342) 21.796 6.448 ( -0.000 6.756 10.306) 12.323 7.385 ( 0.000 -1.153 4.380) 4.529 9.029 ( 0.000 -11.787 21.853) 24.829 9.206 ( 0.000 -10.274 15.239) 18.379 9.567 ( -0.000 24.297 44.683) 50.862 10.310 ( 0.000 -6.772 -9.004) 11.267 10.482 ( 0.000 -0.247 7.319) 7.323 11.330 ( 0.000 -11.365 -5.168) 12.485 11.406 ( 0.000 -4.671 9.093) 10.222 11.588 ( 0.000 -4.389 -17.019) 17.576 11.705 ( -0.000 4.735 19.585) 20.150 11.881 ( 0.000 -0.444 4.774) 4.795 12.173 ( 0.000 -16.670 1.006) 16.701 12.264 ( -0.000 1.267 10.443) 10.520 12.434 ( -0.000 11.704 10.350) 15.624 12.770 ( 0.000 -8.183 11.102) 13.792 15.535 ( 0.000 -2.736 -12.019) 12.326 15.969 ( 0.000 -0.431 -19.657) 19.662 16.044 ( -0.000 22.144 1.346) 22.185 18.680 ( 0.000 -15.681 -10.901) 19.098 ======================= Grid point 465 (152/279) ======================= q-point: ( 0.40 -0.60 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 471 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.494 ( 1.174 0.000 11.832) 11.890 4.688 ( 4.756 0.000 -1.166) 4.897 4.815 ( -12.830 -0.000 4.047) 13.453 6.985 ( 14.199 0.000 14.243) 20.112 7.160 ( -28.855 -0.000 11.842) 31.190 7.376 ( 11.037 0.000 7.906) 13.577 8.328 ( -17.737 -0.000 4.102) 18.206 8.823 ( -11.654 -0.000 4.595) 12.527 9.822 ( 6.017 0.000 -0.130) 6.018 10.514 ( 12.984 0.000 8.773) 15.670 10.636 ( 9.487 0.000 -10.148) 13.892 10.830 ( 6.336 0.000 5.997) 8.724 11.149 ( -2.389 -0.000 35.290) 35.371 11.307 ( 8.022 0.000 25.819) 27.036 11.727 ( -16.805 -0.000 10.269) 19.694 11.953 ( -6.668 -0.000 11.281) 13.104 12.063 ( -25.009 -0.000 -7.749) 26.182 12.404 ( -3.352 -0.000 13.150) 13.570 12.473 ( 12.077 0.000 1.618) 12.185 13.504 ( -16.504 -0.000 -7.158) 17.990 14.939 ( 17.345 0.000 -0.931) 17.370 16.241 ( -18.597 -0.000 -22.191) 28.953 16.967 ( 10.294 0.000 0.124) 10.294 17.587 ( 13.033 0.000 -9.581) 16.176 ======================= Grid point 467 (153/279) ======================= q-point: (-0.50 0.40 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.442 ( 1.245 9.664 9.363) 13.514 4.594 ( -9.373 5.690 5.018) 12.059 4.821 ( 3.433 -8.244 1.320) 9.027 6.709 ( -19.336 0.585 13.635) 23.667 7.030 ( 11.590 25.643 11.749) 30.495 7.767 ( 2.592 -3.281 6.592) 7.807 7.968 ( -1.974 -7.806 3.478) 8.771 8.757 ( -12.628 -18.749 0.897) 22.623 9.977 ( 9.813 -2.089 -0.201) 10.035 10.502 ( -7.403 8.216 5.001) 12.138 10.859 ( 7.669 18.550 29.604) 35.768 10.925 ( 16.424 -10.026 -10.698) 22.016 11.103 ( 4.105 -1.639 11.555) 12.371 11.406 ( -14.782 2.639 -0.357) 15.020 11.571 ( 1.178 -15.772 22.639) 27.617 11.703 ( -18.659 -7.867 0.245) 20.251 11.877 ( -6.921 -2.716 17.943) 19.422 12.384 ( 1.784 1.351 10.511) 10.747 12.646 ( 13.862 7.570 0.722) 15.810 13.190 ( -16.345 6.729 -2.498) 17.851 15.237 ( 15.382 -3.078 -5.461) 16.610 15.963 ( -16.271 -3.225 -18.420) 24.788 16.943 ( 5.546 22.574 1.611) 23.301 17.899 ( 7.151 -19.777 -7.723) 22.403 ======================= Grid point 468 (154/279) ======================= q-point: (-0.40 0.40 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 471 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.331 ( -0.000 14.408 10.950) 18.097 4.394 ( -0.000 9.380 5.250) 10.749 4.955 ( 0.000 -8.588 4.213) 9.565 6.539 ( -0.000 0.672 13.866) 13.882 6.797 ( -0.000 28.519 12.897) 31.300 7.527 ( -0.000 12.828 0.318) 12.832 8.435 ( 0.000 -31.634 12.742) 34.104 8.843 ( 0.000 -19.187 0.623) 19.198 10.148 ( 0.000 -5.480 -0.025) 5.480 10.215 ( -0.000 20.288 18.573) 27.506 10.670 ( -0.000 18.904 26.506) 32.557 11.189 ( 0.000 -1.174 0.069) 1.176 11.276 ( 0.000 -5.708 3.711) 6.808 11.385 ( 0.000 -22.833 -13.731) 26.643 11.452 ( 0.000 -5.687 -14.251) 15.344 11.791 ( -0.000 1.997 18.415) 18.523 11.876 ( 0.000 -17.385 34.475) 38.610 12.391 ( -0.000 2.279 3.265) 3.982 12.733 ( -0.000 11.308 1.462) 11.402 12.849 ( -0.000 11.680 7.198) 13.720 15.447 ( 0.000 -3.921 -8.776) 9.612 15.844 ( 0.000 -5.885 -17.091) 18.076 16.684 ( -0.000 27.648 1.567) 27.692 18.217 ( 0.000 -22.286 -7.629) 23.555 ======================= Grid point 478 (155/279) ======================= q-point: (-0.50 0.50 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.510 ( 0.000 -0.000 2.251) 2.251 4.566 ( 0.000 -0.000 15.553) 15.553 4.789 ( -0.000 0.000 -4.009) 4.009 6.533 ( 0.000 -0.000 15.449) 15.449 7.452 ( 0.000 -0.000 9.612) 9.612 7.747 ( -0.000 0.000 12.816) 12.816 7.785 ( 0.000 -0.000 0.775) 0.775 8.510 ( 0.000 -0.000 -7.849) 7.849 10.082 ( 0.000 -0.000 5.665) 5.665 10.471 ( 0.000 -0.000 -6.345) 6.345 11.022 ( -0.000 0.000 -12.312) 12.312 11.146 ( 0.000 -0.000 45.453) 45.453 11.198 ( 0.000 -0.000 1.595) 1.595 11.207 ( 0.000 -0.000 0.666) 0.666 11.367 ( 0.000 -0.000 -14.994) 14.994 11.487 ( 0.000 -0.000 37.227) 37.227 11.813 ( 0.000 -0.000 19.349) 19.349 12.407 ( 0.000 -0.000 11.575) 11.575 12.880 ( 0.000 -0.000 -2.991) 2.991 13.024 ( 0.000 -0.000 -2.217) 2.217 15.393 ( 0.000 -0.000 -6.925) 6.925 15.761 ( 0.000 -0.000 -15.903) 15.903 17.149 ( 0.000 -0.000 3.568) 3.568 17.816 ( 0.000 -0.000 -8.026) 8.026 ======================= Grid point 525 (156/279) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 279 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.832 ( 0.000 0.000 25.984) 25.984 4.321 ( 0.000 0.000 25.461) 25.461 5.555 ( 0.000 0.000 21.471) 21.471 6.390 ( 0.000 0.000 15.242) 15.242 7.001 ( 0.000 0.000 31.734) 31.734 7.962 ( 0.000 0.000 10.192) 10.192 8.634 ( 0.000 0.000 59.490) 59.490 9.823 ( 0.000 0.000 23.571) 23.571 10.181 ( 0.000 0.000 -10.326) 10.326 10.363 ( 0.000 0.000 -6.599) 6.599 11.071 ( 0.000 0.000 30.943) 30.943 11.358 ( 0.000 0.000 20.248) 20.248 11.409 ( 0.000 0.000 -24.409) 24.409 11.426 ( 0.000 0.000 36.812) 36.812 11.846 ( 0.000 0.000 11.832) 11.832 11.892 ( 0.000 0.000 -33.270) 33.270 12.829 ( 0.000 0.000 -16.312) 16.312 12.866 ( 0.000 0.000 38.888) 38.888 13.184 ( 0.000 0.000 12.359) 12.359 14.215 ( 0.000 0.000 22.160) 22.160 14.547 ( 0.000 0.000 -17.738) 17.738 15.155 ( 0.000 0.000 -16.605) 16.605 15.520 ( 0.000 0.000 -18.794) 18.794 18.575 ( 0.000 0.000 -21.059) 21.059 ======================= Grid point 526 (157/279) ======================= q-point: ( 0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.925 ( 8.294 -3.261 23.251) 24.900 4.308 ( 1.493 3.548 24.776) 25.074 5.545 ( -1.159 0.328 19.245) 19.282 6.483 ( 9.690 -1.455 15.841) 18.627 6.961 ( 0.122 5.805 30.991) 31.530 8.000 ( 7.262 3.487 9.915) 12.775 8.769 ( 6.008 -12.193 57.958) 59.530 9.831 ( 0.727 1.094 22.670) 22.708 10.118 ( -4.437 4.195 -6.499) 8.917 10.471 ( 12.729 0.805 -6.713) 14.413 10.937 ( -18.417 -6.949 25.357) 32.100 11.232 ( -9.389 4.397 13.531) 17.046 11.344 ( -7.110 -0.976 26.676) 27.625 11.488 ( 8.177 0.930 -18.555) 20.298 11.841 ( -0.045 1.964 6.610) 6.896 11.940 ( 4.176 0.644 -14.919) 15.505 12.771 ( -7.331 0.386 -20.672) 21.937 12.949 ( 9.559 5.020 33.355) 35.059 13.226 ( 9.253 1.631 24.373) 26.122 14.011 ( -0.195 25.956 9.597) 27.674 14.680 ( -2.938 -18.403 -6.407) 19.707 15.185 ( 1.800 -0.228 -17.640) 17.733 15.570 ( 3.435 -5.335 -18.924) 19.960 18.481 ( -12.113 -1.704 -20.544) 23.910 ======================= Grid point 527 (158/279) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 852 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.155 ( 11.540 -5.589 16.849) 21.173 4.311 ( 4.402 2.886 21.976) 22.597 5.495 ( -2.776 3.038 14.507) 15.079 6.725 ( 14.258 -4.114 16.598) 22.265 6.907 ( 3.005 5.927 29.774) 30.507 8.131 ( 15.412 6.212 8.034) 18.457 9.058 ( 7.276 -14.954 52.749) 55.309 9.662 ( -12.157 17.418 7.080) 22.390 10.056 ( -0.484 -6.637 17.138) 18.385 10.666 ( -3.188 -4.137 2.064) 5.616 10.783 ( 0.318 -8.328 8.710) 12.055 11.047 ( -4.844 3.980 6.451) 8.996 11.222 ( -10.961 -5.584 22.025) 25.227 11.631 ( 9.816 3.391 -14.619) 17.932 11.798 ( 0.240 5.245 4.742) 7.075 11.974 ( 4.567 5.493 -5.247) 8.863 12.584 ( -14.215 -1.265 -17.042) 22.229 12.964 ( 5.445 12.973 27.013) 30.458 13.482 ( 16.332 -1.904 29.165) 33.481 13.704 ( 3.956 25.935 4.424) 26.605 14.789 ( -7.065 -12.181 -4.007) 14.640 15.181 ( -1.676 0.376 -15.934) 16.027 15.790 ( 11.369 -10.260 -19.899) 25.109 18.226 ( -20.993 -2.836 -19.518) 28.805 ======================= Grid point 528 (159/279) ======================= q-point: ( 0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.348 ( 6.649 -0.440 16.256) 17.569 4.461 ( 10.346 -6.886 10.966) 16.574 5.375 ( -4.631 6.742 10.029) 12.941 6.911 ( 6.205 2.556 26.350) 27.192 7.057 ( 13.247 -8.382 19.678) 25.159 8.370 ( 23.064 8.440 4.880) 25.040 9.095 ( -18.115 22.723 10.711) 30.971 9.333 ( 2.210 -8.631 31.412) 32.652 10.193 ( -0.635 -15.089 28.460) 32.219 10.594 ( -13.618 -15.277 7.700) 21.867 10.856 ( -5.175 -2.209 6.663) 8.721 11.017 ( 2.341 2.563 12.892) 13.351 11.213 ( 4.695 -3.601 5.865) 8.331 11.660 ( 1.389 8.390 -0.062) 8.505 11.751 ( 3.906 5.512 6.475) 9.357 11.981 ( 7.960 11.908 -12.076) 18.734 12.383 ( -14.342 -6.681 -5.083) 16.619 12.842 ( -0.706 14.122 19.458) 24.053 13.465 ( 10.997 21.062 -3.255) 23.982 13.869 ( 14.160 -6.591 28.980) 32.921 14.713 ( -9.122 1.011 -10.705) 14.100 15.146 ( -5.517 -4.601 -7.170) 10.149 16.157 ( 17.573 -9.620 -20.506) 28.668 17.866 ( -25.421 -2.711 -18.845) 31.761 ======================= Grid point 529 (160/279) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 852 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.460 ( 5.403 -0.861 12.492) 13.637 4.715 ( 7.988 -9.462 5.063) 13.378 5.187 ( -6.056 9.479 7.397) 13.463 6.999 ( 6.187 1.297 31.203) 31.837 7.404 ( 11.381 -16.084 13.806) 24.059 8.396 ( -14.642 23.873 6.362) 28.719 8.783 ( 22.696 9.530 2.192) 24.713 9.395 ( -7.145 -6.055 17.062) 19.463 10.329 ( -4.973 -13.437 29.160) 32.490 10.592 ( -7.477 -13.905 8.062) 17.727 10.793 ( -1.786 -0.306 13.372) 13.494 11.037 ( -3.808 -8.026 15.149) 17.562 11.262 ( 5.796 10.848 8.469) 14.933 11.511 ( -3.274 11.947 10.882) 16.489 11.859 ( 9.557 0.868 4.517) 10.606 12.011 ( 12.537 4.871 -6.397) 14.894 12.234 ( -12.963 -5.254 -1.014) 14.024 12.612 ( -7.755 12.521 10.876) 18.308 13.561 ( 21.541 10.446 -7.853) 25.196 14.079 ( -5.666 -11.295 17.925) 21.931 14.538 ( -0.363 9.536 -8.281) 12.635 15.099 ( -6.595 -4.903 -1.091) 8.290 16.583 ( 21.647 -6.261 -20.163) 30.238 17.454 ( -26.128 -0.921 -18.864) 32.239 ======================= Grid point 530 (161/279) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 442 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.516 ( 0.000 -0.000 10.389) 10.389 4.935 ( 0.000 -0.000 -6.785) 6.785 4.980 ( 0.000 -0.000 16.802) 16.802 7.049 ( 0.000 0.000 33.909) 33.909 7.831 ( -0.000 0.000 12.102) 12.102 7.859 ( 0.000 -0.000 4.347) 4.347 9.018 ( 0.000 -0.000 6.126) 6.126 9.303 ( -0.000 -0.000 3.164) 3.164 10.355 ( 0.000 0.000 29.562) 29.562 10.625 ( 0.000 -0.000 3.840) 3.840 10.793 ( 0.000 0.000 14.227) 14.227 11.063 ( 0.000 -0.000 26.839) 26.839 11.238 ( 0.000 -0.000 9.403) 9.403 11.376 ( 0.000 -0.000 7.975) 7.975 11.948 ( -0.000 -0.000 12.640) 12.640 12.101 ( 0.000 -0.000 -3.607) 3.607 12.301 ( 0.000 -0.000 -0.113) 0.113 12.306 ( -0.000 0.000 3.213) 3.213 13.794 ( 0.000 0.000 -3.018) 3.018 13.969 ( -0.000 -0.000 -6.056) 6.056 14.512 ( -0.000 -0.000 6.861) 6.861 15.065 ( 0.000 -0.000 0.347) 0.347 17.016 ( 0.000 -0.000 -21.672) 21.672 17.026 ( -0.000 0.000 -17.207) 17.207 ======================= Grid point 537 (162/279) ======================= q-point: ( 0.10 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 470 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.084 ( 12.107 0.000 19.267) 22.755 4.359 ( 2.245 0.000 21.956) 22.070 5.529 ( -1.177 -0.000 17.048) 17.088 6.678 ( 13.602 0.000 17.340) 22.038 6.988 ( -0.541 -0.000 28.700) 28.705 8.202 ( 14.912 0.000 8.845) 17.338 8.875 ( 14.180 0.000 56.686) 58.432 9.859 ( 1.049 0.000 24.179) 24.201 10.037 ( -8.949 -0.000 -8.559) 12.383 10.490 ( -26.391 -0.000 24.139) 35.765 10.768 ( 18.705 0.000 -4.946) 19.348 11.052 ( -13.893 -0.000 17.962) 22.708 11.156 ( -10.279 -0.000 12.098) 15.875 11.678 ( 11.910 0.000 -12.409) 17.200 11.876 ( 1.460 0.000 10.890) 10.988 12.029 ( 6.189 0.000 -11.152) 12.754 12.585 ( -14.380 -0.000 -23.287) 27.369 13.198 ( 11.935 0.000 33.212) 35.292 13.367 ( 7.921 0.000 26.066) 27.243 14.206 ( -0.228 -0.000 21.802) 21.804 14.456 ( -5.348 -0.000 -16.989) 17.811 15.279 ( 7.560 0.000 -20.961) 22.283 15.598 ( 5.918 0.000 -20.122) 20.974 18.181 ( -21.689 -0.000 -19.472) 29.148 ======================= Grid point 538 (163/279) ======================= q-point: ( 0.20 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.300 ( 10.904 -2.486 14.186) 18.064 4.401 ( 3.812 0.423 17.887) 18.294 5.491 ( -2.083 2.657 12.381) 12.833 6.901 ( 10.448 -1.962 18.564) 21.392 6.982 ( 1.584 0.186 26.697) 26.745 8.511 ( 23.812 2.850 5.234) 24.547 9.171 ( 17.293 -1.506 51.713) 54.549 9.661 ( -15.522 20.458 4.557) 26.081 9.910 ( -6.721 -7.440 17.946) 20.557 10.186 ( -20.085 -17.155 16.110) 30.938 10.803 ( -9.246 0.051 7.199) 11.718 10.900 ( -14.928 -7.755 15.240) 22.699 11.233 ( 21.281 1.606 -5.230) 21.974 11.814 ( 5.320 3.504 1.058) 6.458 11.880 ( 1.345 3.113 9.193) 9.799 12.164 ( 12.108 3.432 -10.429) 16.345 12.323 ( -15.044 0.968 -13.736) 20.394 13.197 ( 1.096 14.919 23.025) 27.458 13.572 ( 3.902 -12.219 24.516) 27.669 14.026 ( 1.695 20.146 6.641) 21.280 14.504 ( -7.175 -15.743 -1.707) 17.385 15.331 ( 8.976 14.276 -20.270) 26.367 15.858 ( 14.315 -13.972 -20.022) 28.302 17.786 ( -26.597 -2.631 -18.739) 32.641 ======================= Grid point 539 (164/279) ======================= q-point: ( 0.30 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.451 ( 5.498 -0.019 12.736) 13.872 4.527 ( 7.005 -5.911 10.100) 13.639 5.385 ( -4.060 6.597 7.765) 10.968 7.008 ( 3.465 -0.471 24.919) 25.163 7.118 ( 6.775 -8.049 19.800) 22.422 8.871 ( 19.669 11.570 2.474) 22.953 9.103 ( -11.232 20.218 5.738) 23.830 9.351 ( 1.061 3.722 25.965) 26.252 9.947 ( -3.524 -17.705 24.322) 30.290 10.162 ( -9.190 -18.471 18.355) 27.614 10.684 ( -11.381 -7.649 6.646) 15.238 10.779 ( -9.216 -10.022 11.425) 17.774 11.547 ( 18.169 6.561 0.029) 19.318 11.755 ( -4.858 7.149 20.408) 22.163 11.885 ( 5.607 3.458 4.029) 7.722 12.114 ( -6.343 0.260 -6.656) 9.198 12.283 ( 8.601 9.792 -6.877) 14.736 12.952 ( -8.026 15.544 13.274) 21.960 13.683 ( -5.517 -9.146 11.244) 15.509 13.928 ( 6.520 7.693 0.340) 10.090 14.516 ( -9.389 -9.644 5.770) 14.644 15.305 ( 12.770 18.922 -14.052) 26.806 16.329 ( 20.214 -14.825 -19.120) 31.527 17.376 ( -27.037 -4.378 -18.855) 33.252 ======================= Grid point 540 (165/279) ======================= q-point: ( 0.40 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.517 ( 1.605 0.019 10.061) 10.188 4.725 ( 6.540 -8.468 5.796) 12.169 5.203 ( -6.080 9.432 5.442) 12.472 7.036 ( -1.939 -0.889 31.045) 31.118 7.399 ( 11.540 -15.070 12.552) 22.756 8.427 ( -16.562 26.088 4.170) 31.181 9.030 ( -18.708 2.179 6.869) 20.048 9.373 ( 17.762 4.604 3.770) 18.733 10.180 ( 3.369 -18.580 18.373) 26.346 10.300 ( 3.458 -10.793 22.161) 24.891 10.637 ( -8.142 -14.643 14.309) 22.033 10.819 ( -3.130 -12.326 4.118) 13.367 11.520 ( -10.590 7.377 25.525) 28.602 11.608 ( 8.763 19.060 7.828) 22.391 12.015 ( 8.963 -0.941 6.289) 10.990 12.092 ( -0.495 2.612 -0.804) 2.778 12.253 ( 6.621 6.677 1.072) 9.464 12.586 ( -13.940 14.117 4.867) 20.428 13.610 ( -19.835 -11.874 1.311) 23.154 14.044 ( 15.141 2.365 -12.574) 19.823 14.424 ( -11.768 -4.859 14.138) 19.025 15.329 ( 16.840 19.158 -5.401) 26.072 16.851 ( 21.304 -12.064 -18.888) 30.922 16.994 ( -22.926 -3.694 -18.849) 29.909 ======================= Grid point 541 (166/279) ======================= q-point: (-0.50 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.490 ( -3.568 1.537 10.850) 11.524 4.904 ( -2.482 -1.297 -6.191) 6.796 5.007 ( 0.997 1.924 15.186) 15.340 6.965 ( -7.281 -0.951 33.088) 33.893 7.844 ( 1.808 -4.055 4.129) 6.063 7.885 ( 0.112 6.244 10.193) 11.953 8.605 ( -29.820 -5.229 2.281) 30.361 9.566 ( 11.402 6.793 13.189) 18.711 10.405 ( -3.909 -15.745 5.157) 17.023 10.532 ( 16.392 -2.618 21.409) 27.091 10.761 ( 0.529 -13.377 9.052) 16.160 10.910 ( -3.410 -7.361 16.907) 18.752 11.309 ( -7.568 -4.601 15.204) 17.596 11.484 ( 6.041 21.995 7.487) 24.007 11.903 ( -4.034 10.416 0.821) 11.200 12.138 ( -12.646 9.159 3.038) 15.907 12.257 ( 5.845 -3.410 9.384) 11.570 12.423 ( 9.828 -2.714 8.370) 13.191 13.326 ( -27.142 -9.745 -7.589) 29.821 14.215 ( -18.877 -8.717 8.080) 22.307 14.351 ( 20.698 4.749 -3.780) 21.569 15.396 ( 16.556 17.941 -0.145) 24.413 16.631 ( -21.946 -1.690 -20.379) 29.996 17.376 ( 24.488 -7.934 -17.499) 31.126 ======================= Grid point 542 (167/279) ======================= q-point: (-0.40 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.378 ( -6.090 2.543 14.614) 16.035 4.662 ( -11.440 9.109 3.244) 14.979 5.192 ( 6.781 -8.302 9.219) 14.138 6.844 ( -8.305 -1.923 31.334) 32.473 7.352 ( -18.143 16.385 11.918) 27.197 8.160 ( -21.068 -8.536 4.728) 23.218 8.523 ( 18.015 -23.978 2.919) 30.133 9.595 ( 4.435 10.080 24.038) 26.440 10.487 ( -3.279 -5.447 16.317) 17.512 10.683 ( -2.381 7.494 22.569) 23.900 10.786 ( 0.911 -1.355 8.810) 8.960 11.051 ( 4.423 -18.604 5.503) 19.899 11.283 ( 0.698 19.486 5.024) 20.136 11.444 ( 3.068 -15.406 -3.702) 16.139 11.785 ( -8.768 2.279 -4.557) 10.141 11.797 ( -0.445 11.019 4.732) 12.000 12.461 ( 7.289 -6.301 14.541) 17.443 12.613 ( 8.418 -2.497 14.039) 16.559 13.016 ( -24.163 -14.703 -10.190) 30.064 13.921 ( -22.393 -2.473 22.050) 31.525 14.663 ( 17.860 0.289 -12.691) 21.912 15.437 ( 12.662 17.023 0.881) 21.234 16.290 ( -18.721 1.728 -20.301) 27.670 17.854 ( 23.421 -4.605 -17.774) 29.760 ======================= Grid point 543 (168/279) ======================= q-point: (-0.30 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.255 ( -5.296 1.376 19.117) 19.885 4.354 ( -12.242 8.286 11.243) 18.572 5.382 ( 5.099 -6.487 10.660) 13.480 6.760 ( -5.827 -4.698 29.527) 30.461 6.889 ( -17.929 9.537 15.305) 25.430 7.937 ( -15.782 -9.087 6.942) 19.490 9.163 ( 21.101 -22.968 3.855) 31.427 9.484 ( 1.224 16.786 36.156) 39.882 10.293 ( -8.617 12.554 30.428) 34.025 10.590 ( -13.181 -8.403 -1.146) 15.674 10.863 ( 2.386 -7.678 8.877) 11.977 11.122 ( 5.842 13.193 4.514) 15.118 11.288 ( 5.309 -4.108 1.045) 6.793 11.567 ( -5.392 0.301 -8.818) 10.341 11.679 ( 2.527 -7.886 3.170) 8.867 11.824 ( 4.691 0.725 -2.069) 5.177 12.617 ( 2.868 -5.997 16.236) 17.544 12.737 ( 5.362 0.505 13.577) 14.606 12.981 ( -9.946 -28.608 -6.787) 31.039 13.548 ( -23.406 -0.672 27.311) 35.974 14.918 ( 13.900 2.146 -12.318) 18.696 15.404 ( 6.583 16.158 -1.484) 17.511 15.972 ( -14.363 4.563 -18.990) 24.243 18.253 ( 19.249 -1.795 -18.713) 26.906 ======================= Grid point 544 (169/279) ======================= q-point: (-0.20 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.066 ( -8.107 8.126 18.363) 21.655 4.207 ( -2.949 -3.123 24.194) 24.572 5.507 ( 2.640 -3.459 14.118) 14.773 6.556 ( -10.932 4.958 15.655) 19.728 6.769 ( -2.411 -8.278 30.149) 31.358 7.847 ( -7.759 -8.646 9.395) 14.941 9.243 ( -0.701 23.947 49.217) 54.738 9.679 ( 12.018 -12.835 10.193) 20.324 10.065 ( -5.604 1.959 15.236) 16.352 10.425 ( -11.685 -3.475 -5.762) 13.484 11.038 ( 3.245 -11.998 16.586) 20.726 11.162 ( 11.496 6.898 1.674) 13.511 11.346 ( 2.156 2.582 2.231) 4.036 11.466 ( -5.700 -0.522 -11.002) 12.402 11.801 ( 2.678 -3.474 10.462) 11.344 11.890 ( 1.710 -0.952 -6.269) 6.567 12.723 ( 1.232 -6.370 23.157) 24.049 12.829 ( 4.615 -0.929 -0.017) 4.707 13.152 ( -16.008 -8.133 24.030) 29.997 13.304 ( -4.910 -26.956 3.550) 27.629 15.052 ( 9.182 10.253 -8.032) 15.936 15.284 ( -0.406 10.744 -8.848) 13.924 15.725 ( -7.149 5.994 -16.408) 18.874 18.521 ( 11.267 0.372 -20.014) 22.970 ======================= Grid point 545 (170/279) ======================= q-point: (-0.10 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 470 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.908 ( -0.000 6.126 23.352) 24.142 4.237 ( 0.000 -5.328 25.916) 26.458 5.552 ( 0.000 -0.928 17.798) 17.822 6.420 ( -0.000 2.628 15.333) 15.557 6.860 ( 0.000 -9.568 31.397) 32.823 7.875 ( 0.000 -6.847 10.152) 12.245 8.942 ( -0.000 23.043 56.181) 60.723 9.817 ( 0.000 -0.981 21.217) 21.240 10.090 ( 0.000 -6.704 -2.275) 7.080 10.350 ( 0.000 -1.590 -5.853) 6.066 11.172 ( -0.000 0.673 26.349) 26.357 11.291 ( 0.000 -3.423 -5.912) 6.831 11.313 ( 0.000 -1.671 20.514) 20.582 11.424 ( 0.000 -1.433 -13.438) 13.514 11.855 ( 0.000 -0.852 16.508) 16.530 11.888 ( -0.000 0.571 -17.665) 17.675 12.803 ( 0.000 -4.403 36.754) 37.017 12.848 ( -0.000 1.763 -13.409) 13.524 13.069 ( 0.000 -7.894 20.342) 21.820 13.662 ( 0.000 -32.023 2.576) 32.126 14.934 ( -0.000 19.200 -3.380) 19.495 15.205 ( -0.000 3.678 -15.274) 15.710 15.599 ( -0.000 5.518 -16.687) 17.575 18.606 ( -0.000 1.708 -20.852) 20.922 ======================= Grid point 548 (171/279) ======================= q-point: ( 0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 471 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.446 ( 8.102 0.000 11.391) 13.978 4.460 ( 3.557 0.000 13.330) 13.797 5.469 ( -3.092 -0.000 8.550) 9.091 6.998 ( 1.791 0.000 22.385) 22.457 7.022 ( 5.408 0.000 21.154) 21.834 8.985 ( 29.807 0.000 1.232) 29.833 9.528 ( -22.150 -0.000 -6.059) 22.964 9.540 ( 23.103 0.000 47.631) 52.939 9.613 ( -22.279 -0.000 17.951) 28.611 9.779 ( -7.549 -0.000 21.642) 22.921 10.560 ( -17.004 -0.000 4.345) 17.551 10.653 ( -8.885 -0.000 9.377) 12.918 11.598 ( 18.891 0.000 -0.398) 18.895 11.874 ( -4.303 -0.000 4.352) 6.120 11.887 ( 2.050 0.000 11.270) 11.455 12.163 ( -3.942 -0.000 4.383) 5.895 12.414 ( 12.894 0.000 -10.533) 16.649 13.275 ( -8.890 -0.000 15.839) 18.163 13.400 ( -8.429 -0.000 13.123) 15.597 14.199 ( -9.869 -0.000 -15.125) 18.060 14.248 ( 3.909 0.000 20.925) 21.287 15.693 ( 17.125 0.000 -17.785) 24.689 16.006 ( 18.247 0.000 -17.118) 25.020 17.312 ( -27.192 -0.000 -18.541) 32.912 ======================= Grid point 549 (172/279) ======================= q-point: ( 0.30 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.519 ( 2.980 0.205 9.175) 9.649 4.578 ( 5.671 -3.539 8.519) 10.828 5.372 ( -5.820 4.045 5.272) 8.834 7.031 ( 0.974 1.134 23.676) 23.723 7.136 ( 6.051 -7.223 17.998) 20.316 8.992 ( -21.671 16.754 0.419) 27.395 9.162 ( -24.528 9.428 7.260) 27.262 9.459 ( 21.328 2.437 5.769) 22.228 9.739 ( -1.838 -15.556 10.924) 19.097 10.036 ( 18.154 -11.914 34.210) 40.520 10.339 ( -12.736 -6.390 7.460) 16.084 10.567 ( -5.873 -6.871 3.205) 9.590 11.714 ( -6.337 8.108 21.773) 24.082 11.822 ( 7.134 -0.263 8.935) 11.437 12.002 ( 8.834 -2.963 4.171) 10.209 12.143 ( 3.898 5.196 11.489) 13.198 12.513 ( 3.131 8.908 -4.440) 10.434 12.929 ( -15.262 13.980 5.911) 21.525 13.298 ( -18.869 -13.570 4.154) 23.610 14.032 ( -7.016 -2.042 -14.597) 16.324 14.356 ( 5.229 -0.859 18.240) 18.994 15.840 ( 19.419 21.094 -11.711) 30.971 16.477 ( 19.767 -17.681 -16.306) 31.133 16.903 ( -22.498 -2.743 -18.482) 29.245 ======================= Grid point 550 (173/279) ======================= q-point: ( 0.40 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 852 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.530 ( -0.401 1.939 8.396) 8.626 4.735 ( 5.303 -7.165 3.589) 9.610 5.185 ( -8.160 6.927 5.174) 11.889 6.985 ( -3.172 3.153 27.836) 28.193 7.431 ( 12.990 -15.408 11.164) 23.038 8.448 ( -16.556 21.866 0.163) 27.427 8.557 ( -35.003 4.181 5.899) 35.742 9.612 ( 0.095 -5.700 12.294) 13.551 10.070 ( 15.910 -8.321 -1.474) 18.015 10.215 ( -13.965 -21.626 3.494) 25.979 10.492 ( 15.856 -3.173 25.057) 29.822 10.650 ( 4.262 -13.247 0.596) 13.929 11.467 ( -7.322 13.474 31.350) 34.899 11.907 ( 5.542 6.411 8.547) 12.036 12.136 ( 6.294 1.512 12.783) 14.328 12.182 ( 1.182 6.685 6.487) 9.390 12.309 ( -8.920 4.541 4.672) 11.046 12.557 ( -6.818 13.893 3.246) 15.812 13.072 ( -25.201 -11.842 -2.923) 27.998 13.961 ( -12.872 -10.257 -9.534) 19.021 14.484 ( 13.593 4.177 11.976) 18.591 15.896 ( 18.622 23.113 -5.963) 30.274 16.541 ( -20.415 -4.862 -19.786) 28.842 17.085 ( 22.259 -15.867 -14.932) 31.148 ======================= Grid point 551 (174/279) ======================= q-point: (-0.50 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.461 ( -3.299 4.177 10.408) 11.690 4.825 ( -6.983 1.565 -4.873) 8.658 5.035 ( 1.965 -2.163 12.864) 13.192 6.866 ( -4.973 4.480 29.084) 29.844 7.796 ( -18.841 14.822 5.287) 24.549 7.927 ( 3.639 -12.472 9.478) 16.082 8.083 ( -14.770 -5.194 -0.151) 15.657 9.672 ( -1.632 -6.163 14.260) 15.620 10.171 ( -8.422 -14.219 0.847) 16.548 10.512 ( 8.896 -18.977 -1.568) 21.017 10.688 ( 3.504 -6.517 7.653) 10.645 10.988 ( 15.414 -7.919 4.423) 17.884 11.167 ( -8.184 13.217 32.668) 36.178 11.718 ( -12.856 14.875 -3.012) 19.890 11.977 ( 2.351 10.967 5.981) 12.712 12.156 ( -1.991 13.697 10.074) 17.119 12.284 ( 4.790 -3.708 12.361) 13.765 12.473 ( -3.723 -7.624 6.697) 10.809 12.798 ( -16.944 -7.025 4.176) 18.812 13.799 ( -18.688 -6.981 4.362) 20.420 14.708 ( 16.892 2.417 0.545) 17.073 15.912 ( 15.132 22.224 -2.320) 26.987 16.265 ( -17.833 -2.547 -19.333) 26.424 17.633 ( 21.201 -13.976 -15.415) 29.706 ======================= Grid point 552 (175/279) ======================= q-point: (-0.40 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 852 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.337 ( -4.095 5.473 14.308) 15.857 4.566 ( -11.867 8.623 3.456) 15.071 5.201 ( 5.615 -8.403 9.030) 13.553 6.734 ( -4.589 3.543 27.851) 28.448 7.182 ( -23.511 14.235 11.780) 29.903 7.755 ( -15.100 -4.730 4.630) 16.487 8.589 ( 22.366 -24.964 1.410) 33.547 9.686 ( -2.739 -2.221 17.596) 17.946 10.229 ( -7.247 -16.681 -1.813) 18.278 10.620 ( -11.883 4.133 18.028) 21.984 10.809 ( 2.654 1.592 13.006) 13.369 11.030 ( 8.202 -4.092 10.376) 13.845 11.273 ( -2.691 -7.422 -7.383) 10.809 11.417 ( -0.288 0.575 -7.154) 7.183 11.880 ( 3.866 17.579 5.196) 18.734 12.004 ( 3.792 9.658 9.559) 14.108 12.385 ( -20.661 -19.003 -11.872) 30.479 12.427 ( 3.959 -6.542 17.613) 19.201 12.791 ( 6.067 -1.103 25.872) 26.597 13.517 ( -20.722 -1.977 14.706) 25.487 14.962 ( 15.506 1.389 -6.188) 16.753 15.865 ( 9.965 22.517 -1.273) 24.656 16.004 ( -15.568 -1.411 -17.858) 23.733 18.105 ( 17.139 -10.968 -16.445) 26.163 ======================= Grid point 553 (176/279) ======================= q-point: (-0.30 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.217 ( -2.717 4.253 18.905) 19.567 4.282 ( -8.222 9.469 11.034) 16.704 5.376 ( 3.505 -7.449 9.773) 12.778 6.647 ( -3.141 0.106 26.581) 26.766 6.730 ( -13.023 8.920 14.874) 21.689 7.639 ( -7.735 -7.838 7.852) 13.525 9.239 ( 19.408 -21.773 1.694) 29.216 9.645 ( -1.551 1.653 21.367) 21.487 10.257 ( -7.463 3.016 5.110) 9.534 10.285 ( -12.489 2.051 22.996) 26.249 10.788 ( -0.942 -3.412 15.837) 16.228 11.190 ( 1.068 -1.345 -9.511) 9.665 11.264 ( -0.424 -7.856 -15.193) 17.109 11.577 ( 3.845 -8.452 -8.156) 12.359 11.747 ( 4.816 15.885 10.368) 19.571 11.992 ( 3.594 6.271 10.443) 12.700 12.408 ( -9.699 -30.881 -7.095) 33.136 12.577 ( 6.070 -5.305 22.763) 24.148 12.892 ( 2.366 -1.240 21.128) 21.296 13.189 ( -16.750 1.453 19.688) 25.890 15.179 ( 12.803 2.518 -9.901) 16.379 15.660 ( -5.494 16.279 -9.956) 19.857 15.833 ( -3.016 5.798 -7.776) 10.158 18.446 ( 10.000 -7.447 -17.977) 21.877 ======================= Grid point 554 (177/279) ======================= q-point: (-0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 471 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.097 ( -0.000 9.217 16.817) 19.177 4.164 ( -0.000 0.487 22.783) 22.788 5.481 ( 0.000 -5.267 12.064) 13.164 6.521 ( -0.000 6.060 15.304) 16.460 6.663 ( 0.000 -5.219 28.346) 28.822 7.676 ( 0.000 -9.085 9.456) 13.113 9.478 ( -0.000 11.131 28.638) 30.725 9.730 ( 0.000 -7.884 14.614) 16.606 9.985 ( -0.000 5.723 26.897) 27.499 10.263 ( 0.000 -5.542 -8.108) 9.821 10.897 ( 0.000 -13.552 16.111) 21.053 11.225 ( 0.000 -2.310 -15.878) 16.046 11.323 ( 0.000 -5.685 -19.496) 20.308 11.586 ( -0.000 15.395 5.402) 16.315 11.741 ( 0.000 -7.829 8.614) 11.640 11.952 ( -0.000 4.700 7.731) 9.048 12.713 ( 0.000 -2.392 28.439) 28.539 12.729 ( 0.000 -29.226 0.057) 29.226 12.888 ( 0.000 -5.675 22.536) 23.240 13.045 ( 0.000 -3.216 6.093) 6.889 15.294 ( -0.000 3.164 -11.979) 12.390 15.376 ( -0.000 17.746 -8.184) 19.542 15.731 ( -0.000 5.894 -9.475) 11.159 18.598 ( 0.000 -3.486 -19.432) 19.743 ======================= Grid point 559 (178/279) ======================= q-point: ( 0.30 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 470 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.579 ( 3.334 0.000 4.864) 5.897 4.621 ( 2.787 0.000 7.533) 8.032 5.272 ( -8.915 -0.000 4.210) 9.859 7.116 ( 2.212 0.000 21.904) 22.015 7.152 ( 7.896 0.000 15.506) 17.400 8.542 ( -35.111 -0.000 2.460) 35.197 8.946 ( -16.606 -0.000 5.471) 17.484 9.388 ( -14.762 -0.000 6.105) 15.975 9.847 ( 1.723 0.000 -0.705) 1.862 10.069 ( 12.903 0.000 0.607) 12.917 10.436 ( -3.775 -0.000 -0.289) 3.786 10.484 ( 22.404 0.000 29.516) 37.056 11.771 ( 0.539 0.000 22.977) 22.984 11.792 ( -1.676 -0.000 25.167) 25.223 12.135 ( 7.504 0.000 7.626) 10.699 12.273 ( 6.592 0.000 10.409) 12.321 12.495 ( -14.827 -0.000 -1.563) 14.909 12.811 ( -8.877 -0.000 4.222) 9.830 12.822 ( -23.889 -0.000 -1.466) 23.934 13.812 ( -12.918 -0.000 -12.052) 17.667 14.534 ( 12.586 0.000 13.273) 18.292 16.341 ( 19.868 0.000 -9.734) 22.125 16.420 ( -15.071 -0.000 -18.515) 23.874 16.784 ( 15.917 0.000 -13.370) 20.787 ======================= Grid point 560 (179/279) ======================= q-point: (-0.60 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.572 ( 0.516 5.330 5.810) 7.902 4.719 ( 2.333 -6.696 1.620) 7.274 5.090 ( -9.670 2.708 6.513) 11.969 7.062 ( 2.619 11.415 21.600) 24.570 7.455 ( 12.999 -17.047 10.292) 23.780 7.949 ( -35.138 -0.630 7.154) 35.865 8.476 ( -17.340 24.677 0.688) 30.168 9.305 ( -13.540 -22.013 3.335) 26.058 9.801 ( -7.899 -10.207 -4.192) 13.570 10.368 ( 14.087 2.088 -0.766) 14.261 10.493 ( 7.951 -8.057 0.944) 11.359 10.813 ( 12.474 -3.082 15.102) 19.828 11.580 ( -3.029 16.210 26.705) 31.387 11.894 ( -4.909 -7.385 12.653) 15.451 12.096 ( -15.200 8.063 7.144) 18.630 12.240 ( 1.552 -0.265 10.608) 10.724 12.347 ( 2.938 3.708 3.404) 5.828 12.498 ( -14.415 -3.866 7.586) 16.742 12.679 ( -5.033 3.970 10.373) 12.193 13.627 ( -14.227 -5.864 -7.574) 17.151 14.751 ( 14.074 0.983 8.096) 16.266 16.148 ( -15.707 -1.687 -16.857) 23.102 16.503 ( 15.790 20.403 -7.359) 26.828 17.231 ( 19.103 -17.688 -12.897) 29.054 ======================= Grid point 561 (180/279) ======================= q-point: (-0.50 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.490 ( -1.213 7.072 7.989) 10.738 4.719 ( -8.383 3.019 -2.115) 9.157 5.014 ( 1.488 -6.299 10.435) 12.279 6.947 ( 1.872 14.154 21.917) 26.157 7.398 ( -29.147 1.434 11.036) 31.199 7.853 ( -5.631 6.536 2.655) 9.027 8.045 ( 9.373 -11.734 2.379) 15.206 9.354 ( -15.217 -24.619 3.162) 29.114 9.856 ( -0.918 -11.519 -4.940) 12.567 10.544 ( 4.009 -5.591 -4.960) 8.481 10.746 ( 10.930 -1.788 6.749) 12.969 10.937 ( -3.135 -7.703 -3.234) 8.923 11.381 ( 1.809 10.173 15.835) 18.908 11.616 ( -10.545 15.627 17.958) 26.037 11.905 ( -19.857 -9.386 -7.562) 23.229 12.209 ( -3.786 -1.799 13.412) 14.051 12.349 ( 5.398 14.323 7.351) 16.981 12.392 ( 4.099 3.491 10.189) 11.524 12.676 ( 3.050 -6.219 28.142) 28.982 13.441 ( -15.853 -4.462 1.885) 16.576 14.980 ( 13.957 0.225 1.775) 14.071 15.930 ( -14.388 -3.568 -14.960) 21.060 16.453 ( 11.470 25.823 -5.007) 28.696 17.744 ( 15.178 -18.926 -13.609) 27.817 ======================= Grid point 562 (181/279) ======================= q-point: (-0.40 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.379 ( -0.745 8.395 11.072) 13.914 4.492 ( -8.120 7.982 4.516) 12.249 5.168 ( 3.051 -9.739 7.771) 12.828 6.798 ( 0.124 12.779 21.053) 24.628 6.955 ( -16.183 8.149 14.397) 23.143 7.559 ( -8.495 3.714 4.069) 10.125 8.654 ( 21.570 -26.824 0.885) 34.432 9.361 ( -17.311 -22.947 2.684) 28.869 10.018 ( 4.637 -8.828 -3.886) 10.702 10.441 ( -14.061 1.102 1.449) 14.179 10.976 ( 11.127 3.910 8.834) 14.735 11.039 ( 5.382 -9.611 -9.726) 14.694 11.282 ( -6.474 13.740 18.850) 24.208 11.409 ( 4.315 -2.021 7.483) 8.872 11.696 ( -20.650 -19.109 -13.642) 31.268 12.142 ( -0.774 6.279 15.830) 17.047 12.226 ( 3.151 14.679 2.119) 15.162 12.527 ( 10.816 -0.092 15.457) 18.866 12.802 ( 0.300 -5.934 29.310) 29.907 13.214 ( -13.205 -0.502 13.264) 18.724 15.203 ( 12.282 -0.184 -4.036) 12.929 15.741 ( -12.517 -2.622 -13.876) 18.870 16.288 ( 5.771 26.015 -3.095) 26.827 18.159 ( 8.731 -16.622 -14.917) 23.980 ======================= Grid point 563 (182/279) ======================= q-point: (-0.30 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 470 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.275 ( -0.000 8.295 15.109) 17.236 4.314 ( -0.000 8.566 9.291) 12.637 5.309 ( 0.000 -9.012 8.281) 12.239 6.686 ( -0.000 8.329 22.621) 24.106 6.698 ( -0.000 8.130 15.147) 17.191 7.499 ( 0.000 -4.364 7.180) 8.403 9.249 ( 0.000 -21.806 3.807) 22.135 9.377 ( 0.000 -21.812 1.403) 21.857 10.147 ( 0.000 -3.373 -7.714) 8.419 10.278 ( -0.000 2.242 17.829) 17.969 10.861 ( -0.000 17.610 35.185) 39.346 11.147 ( 0.000 -3.986 -10.802) 11.513 11.242 ( 0.000 -1.118 -15.565) 15.605 11.499 ( 0.000 -8.034 0.027) 8.034 11.825 ( 0.000 -25.931 -7.065) 26.876 12.079 ( -0.000 5.242 15.486) 16.349 12.080 ( -0.000 8.319 0.571) 8.338 12.707 ( -0.000 1.824 15.634) 15.740 12.768 ( 0.000 -5.445 28.631) 29.144 13.096 ( -0.000 1.552 20.372) 20.431 15.338 ( -0.000 0.547 -7.465) 7.485 15.615 ( -0.000 1.105 -15.445) 15.484 16.045 ( -0.000 22.437 -1.225) 22.471 18.409 ( 0.000 -12.665 -16.553) 20.843 ======================= Grid point 570 (183/279) ======================= q-point: ( 0.40 -0.60 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 471 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.639 ( -2.291 -0.000 2.815) 3.629 4.679 ( 2.615 0.000 0.139) 2.619 4.950 ( -7.518 -0.000 9.659) 12.240 7.279 ( 8.539 0.000 15.693) 17.865 7.392 ( -28.904 -0.000 10.472) 30.742 7.532 ( 13.786 0.000 9.721) 16.869 8.369 ( -19.063 -0.000 0.402) 19.067 8.832 ( -17.861 -0.000 -2.954) 18.104 9.724 ( 3.977 0.000 -6.997) 8.048 10.464 ( 6.204 0.000 -7.075) 9.410 10.730 ( 12.739 0.000 8.014) 15.050 10.844 ( -4.166 -0.000 -0.150) 4.169 11.545 ( -13.325 -0.000 -5.792) 14.529 11.660 ( -16.992 -0.000 -1.216) 17.036 12.066 ( 2.502 0.000 28.899) 29.007 12.112 ( -6.500 -0.000 26.411) 27.199 12.300 ( 1.612 0.000 18.912) 18.981 12.555 ( 8.703 0.000 9.115) 12.603 12.658 ( -2.761 -0.000 13.610) 13.887 13.362 ( -13.457 -0.000 -6.949) 15.145 14.981 ( 12.964 0.000 5.277) 13.997 15.880 ( -14.140 -0.000 -13.948) 19.862 16.913 ( 12.960 0.000 -5.767) 14.185 17.368 ( 13.823 0.000 -12.688) 18.763 ======================= Grid point 572 (184/279) ======================= q-point: (-0.50 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.554 ( -2.125 4.653 2.840) 5.851 4.662 ( -2.759 6.794 1.586) 7.502 4.937 ( 0.252 -8.896 9.443) 12.976 6.995 ( -16.771 0.681 15.180) 22.631 7.276 ( 9.094 21.294 13.457) 26.781 7.843 ( -8.866 11.612 2.248) 14.782 8.037 ( 10.256 -18.457 3.446) 21.394 8.729 ( -18.636 -25.585 -3.337) 31.828 9.885 ( 12.093 -2.617 -7.729) 14.589 10.494 ( -14.230 4.353 -4.766) 15.626 10.712 ( 6.250 -12.127 -10.272) 17.078 11.012 ( 12.312 -0.438 -0.477) 12.329 11.306 ( -14.717 -0.627 -8.853) 17.186 11.392 ( -16.147 -5.188 -9.011) 19.205 11.888 ( 1.948 22.499 45.703) 50.978 12.190 ( 1.063 -0.692 20.312) 20.351 12.404 ( 2.052 -11.205 29.112) 31.261 12.567 ( 1.751 9.662 9.195) 13.452 12.714 ( 7.378 -0.687 9.666) 12.179 13.164 ( -12.223 -2.626 0.869) 12.532 15.190 ( 11.491 -0.542 0.868) 11.536 15.674 ( -11.896 -2.030 -10.404) 15.934 16.907 ( 6.630 23.423 -5.326) 24.919 17.700 ( 7.671 -19.825 -12.587) 24.704 ======================= Grid point 573 (185/279) ======================= q-point: (-0.40 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 471 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.481 ( -0.000 5.193 3.430) 6.224 4.512 ( -0.000 10.999 7.513) 13.320 5.071 ( 0.000 -10.850 7.053) 12.940 6.836 ( -0.000 2.466 16.171) 16.358 7.076 ( -0.000 24.021 15.628) 28.657 7.555 ( -0.000 9.918 2.647) 10.265 8.603 ( 0.000 -31.419 4.964) 31.809 8.785 ( 0.000 -25.865 -5.833) 26.514 10.099 ( 0.000 -1.058 -5.855) 5.950 10.234 ( 0.000 -0.761 -5.160) 5.216 11.075 ( 0.000 -1.970 -14.167) 14.303 11.105 ( 0.000 -22.058 -12.849) 25.527 11.211 ( 0.000 -2.729 -0.480) 2.771 11.227 ( 0.000 -0.423 -2.817) 2.849 11.627 ( -0.000 22.876 47.013) 52.283 12.175 ( -0.000 2.691 17.508) 17.714 12.431 ( -0.000 12.618 3.437) 13.077 12.590 ( 0.000 -9.755 32.092) 33.542 12.777 ( -0.000 3.295 2.800) 4.324 13.070 ( 0.000 -3.181 16.610) 16.912 15.330 ( 0.000 -0.870 -2.816) 2.948 15.571 ( 0.000 -2.991 -9.932) 10.373 16.656 ( -0.000 27.145 -4.514) 27.518 18.010 ( 0.000 -20.354 -13.454) 24.399 ======================= Grid point 583 (186/279) ======================= q-point: (-0.50 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.545 ( 0.000 -0.000 1.176) 1.176 4.732 ( 0.000 -0.000 -1.880) 1.880 4.852 ( -0.000 0.000 13.349) 13.349 6.851 ( 0.000 -0.000 16.544) 16.544 7.651 ( 0.000 -0.000 10.693) 10.693 7.797 ( 0.000 -0.000 0.697) 0.697 7.942 ( -0.000 0.000 7.761) 7.761 8.360 ( 0.000 -0.000 -7.120) 7.120 10.087 ( 0.000 -0.000 -5.502) 5.502 10.254 ( 0.000 -0.000 -13.349) 13.349 10.777 ( -0.000 0.000 -11.337) 11.337 11.052 ( 0.000 -0.000 -16.841) 16.841 11.179 ( 0.000 -0.000 -3.462) 3.462 11.222 ( 0.000 -0.000 2.851) 2.851 12.104 ( -0.000 0.000 48.094) 48.094 12.206 ( 0.000 -0.000 18.305) 18.305 12.282 ( 0.000 -0.000 37.885) 37.885 12.633 ( 0.000 -0.000 13.639) 13.639 12.822 ( -0.000 0.000 -2.809) 2.809 13.009 ( 0.000 -0.000 2.111) 2.111 15.316 ( 0.000 -0.000 -0.650) 0.650 15.528 ( 0.000 -0.000 -7.334) 7.334 17.140 ( 0.000 -0.000 -4.686) 4.686 17.609 ( -0.000 0.000 -12.982) 12.982 ======================= Grid point 630 (187/279) ======================= q-point: ( 0.00 0.00 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 279 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.241 ( 0.000 0.000 15.670) 15.670 4.736 ( 0.000 0.000 17.177) 17.177 5.908 ( 0.000 0.000 14.745) 14.745 6.754 ( 0.000 0.000 21.407) 21.407 7.660 ( 0.000 0.000 34.421) 34.421 8.183 ( 0.000 0.000 12.420) 12.420 9.739 ( 0.000 0.000 52.383) 52.383 9.975 ( 0.000 0.000 -10.088) 10.088 10.240 ( 0.000 0.000 -6.123) 6.123 10.242 ( 0.000 0.000 18.860) 18.860 10.863 ( 0.000 0.000 -30.694) 30.694 11.297 ( 0.000 0.000 -26.413) 26.413 11.676 ( 0.000 0.000 28.912) 28.912 11.754 ( 0.000 0.000 19.566) 19.566 12.025 ( 0.000 0.000 24.192) 24.192 12.030 ( 0.000 0.000 -9.494) 9.494 12.256 ( 0.000 0.000 -12.026) 12.026 13.549 ( 0.000 0.000 30.146) 30.146 13.680 ( 0.000 0.000 23.681) 23.681 14.188 ( 0.000 0.000 -17.844) 17.844 14.630 ( 0.000 0.000 15.490) 15.490 14.825 ( 0.000 0.000 -16.693) 16.693 15.195 ( 0.000 0.000 -9.176) 9.176 18.119 ( 0.000 0.000 -25.347) 25.347 ======================= Grid point 631 (188/279) ======================= q-point: ( 0.10 0.00 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.290 ( 4.590 -1.448 13.924) 14.733 4.714 ( -0.254 2.899 16.832) 17.081 5.864 ( -3.103 2.821 13.412) 14.052 6.853 ( 10.308 -1.326 21.404) 23.794 7.603 ( -1.776 5.777 33.594) 34.133 8.214 ( 6.248 3.473 12.066) 14.024 9.761 ( 1.076 3.080 25.277) 25.487 9.981 ( -4.827 -6.827 14.279) 16.547 10.250 ( 7.339 1.859 9.777) 12.365 10.378 ( 9.954 -3.519 2.431) 10.834 10.840 ( -4.129 0.050 -27.832) 28.137 11.246 ( 2.903 5.532 -15.773) 16.965 11.567 ( -10.736 1.732 22.886) 25.338 11.710 ( -9.878 -8.242 11.248) 17.089 11.800 ( 0.326 18.577 4.302) 19.071 12.175 ( -0.116 3.765 12.517) 13.071 12.321 ( -1.998 -19.751 -8.065) 21.428 13.548 ( 3.584 11.529 24.539) 27.348 13.752 ( 10.666 1.644 20.749) 23.388 14.000 ( 0.150 22.900 -6.065) 23.690 14.707 ( -3.652 -8.588 0.587) 9.351 14.869 ( 1.643 -7.609 -10.573) 13.130 15.265 ( 2.403 -8.914 -7.309) 11.775 18.037 ( -10.857 -1.857 -24.631) 26.982 ======================= Grid point 632 (189/279) ======================= q-point: ( 0.20 0.00 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 852 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.414 ( 6.815 -2.517 9.593) 12.034 4.677 ( 0.654 3.156 15.300) 15.636 5.743 ( -5.078 5.751 10.795) 13.244 7.093 ( 13.832 -2.461 20.519) 24.868 7.519 ( 1.434 4.927 31.559) 31.974 8.311 ( 12.289 6.343 10.654) 17.457 9.567 ( -12.268 15.798 -9.005) 21.936 9.938 ( -3.405 2.034 27.255) 27.542 10.470 ( 8.206 -14.410 20.725) 26.542 10.615 ( 11.206 -0.683 0.297) 11.231 10.804 ( -0.032 -9.328 -8.973) 12.943 11.287 ( -9.329 -0.302 12.955) 15.968 11.389 ( 6.632 1.772 -3.255) 7.597 11.596 ( -4.019 9.469 10.239) 14.513 11.657 ( -2.764 -1.457 -7.444) 8.073 12.059 ( -0.452 12.470 7.284) 14.449 12.498 ( -6.335 -19.173 7.588) 21.571 13.393 ( -1.113 17.143 14.828) 22.694 13.592 ( 0.239 29.766 -7.937) 30.807 14.096 ( 16.981 -3.183 26.142) 31.336 14.622 ( -9.045 2.566 -15.650) 18.257 15.045 ( 0.424 -14.682 2.900) 14.972 15.485 ( 9.106 -11.759 -8.537) 17.149 17.811 ( -19.281 -3.082 -22.799) 30.017 ======================= Grid point 633 (190/279) ======================= q-point: ( 0.30 0.00 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.556 ( 5.873 -2.647 5.133) 8.236 4.680 ( 2.778 0.577 11.465) 11.811 5.567 ( -6.110 7.723 9.209) 13.482 7.300 ( 7.539 -2.069 16.819) 18.547 7.604 ( 9.752 -2.719 31.612) 33.194 8.479 ( 18.448 8.865 6.409) 21.448 9.053 ( -17.255 23.939 -8.657) 30.753 9.820 ( -9.929 -0.205 12.581) 16.028 10.702 ( -4.032 -12.309 10.005) 16.367 10.776 ( 3.492 -12.796 17.173) 21.698 11.032 ( -0.052 3.662 3.611) 5.143 11.120 ( 3.897 -10.778 12.424) 16.902 11.454 ( -5.571 -3.412 13.276) 14.796 11.586 ( 14.996 8.203 -5.511) 17.959 11.692 ( 9.191 3.750 -6.657) 11.952 11.911 ( 3.136 13.434 7.167) 15.546 12.547 ( -11.733 -14.796 14.760) 23.968 13.119 ( -8.093 16.165 8.278) 19.883 13.299 ( 7.133 26.237 -12.115) 29.766 14.336 ( -18.465 -11.062 -3.025) 21.737 14.459 ( 20.000 13.273 7.623) 25.185 15.176 ( -4.369 -12.743 7.695) 15.514 15.833 ( 16.761 -9.441 -11.647) 22.489 17.481 ( -24.046 -3.054 -20.504) 31.749 ======================= Grid point 634 (191/279) ======================= q-point: ( 0.40 0.00 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 852 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.652 ( 2.915 -1.100 5.064) 5.946 4.758 ( 4.053 -2.762 2.627) 5.564 5.377 ( -5.352 6.936 10.406) 13.603 7.473 ( 8.791 -6.017 13.798) 17.432 7.800 ( 5.524 -5.927 29.756) 30.840 8.409 ( -14.669 21.254 -3.783) 26.101 8.822 ( 23.736 9.848 2.007) 25.777 9.599 ( -18.838 -3.311 4.926) 19.751 10.749 ( -2.920 -6.245 0.958) 6.960 10.855 ( -8.201 -4.818 3.114) 10.008 10.945 ( -1.404 -5.317 29.089) 29.604 11.354 ( 3.426 -5.027 12.669) 14.054 11.477 ( -0.290 -3.559 13.018) 13.499 11.645 ( 7.361 13.308 3.273) 15.556 11.866 ( 19.050 2.979 -3.435) 19.585 11.971 ( 15.704 2.156 9.341) 18.399 12.456 ( -16.631 -9.957 17.662) 26.224 12.741 ( -15.354 13.844 2.620) 20.839 13.289 ( 19.825 13.041 -18.239) 29.929 13.999 ( -23.619 -0.335 -19.533) 30.651 14.704 ( 14.529 3.141 19.639) 24.631 15.208 ( -6.095 -8.158 9.776) 14.116 16.246 ( 21.488 -5.574 -13.933) 26.209 17.092 ( -25.374 -1.426 -18.240) 31.282 ======================= Grid point 635 (192/279) ======================= q-point: (-0.50 0.00 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 442 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.684 ( 0.000 -0.000 5.137) 5.137 4.823 ( 0.000 -0.000 -3.093) 3.093 5.276 ( 0.000 -0.000 13.151) 13.151 7.652 ( -0.000 0.000 20.572) 20.572 7.973 ( -0.000 0.000 3.444) 3.444 7.979 ( 0.000 -0.000 14.912) 14.912 9.078 ( 0.000 -0.000 0.752) 0.752 9.364 ( -0.000 -0.000 2.918) 2.918 10.778 ( 0.000 -0.000 -12.811) 12.811 10.780 ( -0.000 0.000 11.611) 11.611 10.981 ( 0.000 -0.000 31.758) 31.758 11.421 ( 0.000 -0.000 11.220) 11.220 11.463 ( -0.000 -0.000 15.056) 15.056 11.602 ( 0.000 -0.000 7.592) 7.592 12.174 ( -0.000 -0.000 12.052) 12.052 12.265 ( 0.000 0.000 16.118) 16.118 12.277 ( -0.000 -0.000 -0.806) 0.806 12.327 ( -0.000 0.000 1.251) 1.251 13.559 ( -0.000 -0.000 -18.630) 18.630 13.633 ( 0.000 0.000 -22.691) 22.691 14.817 ( -0.000 -0.000 19.085) 19.085 15.196 ( 0.000 0.000 10.529) 10.529 16.661 ( 0.000 -0.000 -14.628) 14.628 16.685 ( -0.000 0.000 -17.498) 17.498 ======================= Grid point 642 (193/279) ======================= q-point: ( 0.10 0.10 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 470 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.383 ( 7.042 0.000 11.199) 13.229 4.721 ( -0.856 -0.000 15.001) 15.025 5.816 ( -4.548 -0.000 12.285) 13.100 7.065 ( 14.654 0.000 21.597) 26.099 7.585 ( -3.828 -0.000 31.387) 31.620 8.382 ( 11.801 0.000 9.930) 15.423 9.806 ( -8.889 -0.000 -11.215) 14.310 9.921 ( 10.777 0.000 48.643) 49.823 10.315 ( 0.358 0.000 18.284) 18.287 10.629 ( -18.966 -0.000 -16.552) 25.173 10.645 ( 21.934 0.000 -8.094) 23.380 11.277 ( -13.500 -0.000 17.164) 21.837 11.404 ( -16.103 -0.000 16.804) 23.274 11.485 ( 11.475 0.000 -10.898) 15.826 11.989 ( -2.763 -0.000 -12.252) 12.559 12.122 ( 5.164 0.000 14.320) 15.223 12.236 ( 0.290 0.000 3.066) 3.080 13.750 ( 3.073 0.000 21.595) 21.813 13.817 ( 1.706 0.000 15.303) 15.398 14.122 ( -4.054 -0.000 -14.636) 15.187 14.618 ( 0.451 0.000 17.998) 18.004 14.898 ( 7.418 0.000 -16.863) 18.422 15.275 ( 7.028 0.000 -9.274) 11.637 17.765 ( -19.796 -0.000 -23.001) 30.347 ======================= Grid point 643 (194/279) ======================= q-point: ( 0.20 0.10 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.509 ( 6.807 -1.110 7.382) 10.103 4.700 ( -0.518 0.709 12.592) 12.622 5.711 ( -5.567 3.590 9.915) 11.924 7.289 ( 10.299 0.556 20.828) 23.242 7.535 ( -1.130 -2.466 29.042) 29.168 8.621 ( 18.720 2.856 5.991) 19.862 9.537 ( -13.576 13.973 -10.206) 21.993 9.988 ( -5.696 14.560 17.554) 23.507 10.294 ( -1.898 -13.034 26.558) 29.644 10.460 ( -10.740 -17.997 5.923) 21.779 10.982 ( -11.766 -0.665 16.771) 20.497 11.069 ( 19.830 0.061 -7.142) 21.076 11.193 ( -14.697 -9.081 14.713) 22.692 11.765 ( 20.039 3.292 -10.193) 22.722 11.901 ( 4.880 8.712 -4.344) 10.889 12.210 ( 2.845 8.012 8.918) 12.322 12.266 ( 0.132 -8.129 11.701) 14.248 13.522 ( -9.107 17.271 9.348) 21.648 13.820 ( -5.900 8.420 -7.269) 12.591 14.017 ( -8.218 -7.155 2.444) 11.167 14.677 ( 2.436 -3.366 13.884) 14.492 15.032 ( 12.505 6.487 -7.109) 15.780 15.552 ( 16.070 -12.243 -9.637) 22.383 17.400 ( -24.922 -2.543 -20.750) 32.529 ======================= Grid point 644 (195/279) ======================= q-point: ( 0.30 0.10 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.622 ( 4.509 -1.263 3.995) 6.155 4.704 ( 0.865 -1.451 8.945) 9.103 5.549 ( -6.306 6.478 8.460) 12.382 7.388 ( 4.940 -0.625 16.457) 17.194 7.629 ( 1.811 -8.229 29.361) 30.546 8.864 ( 6.751 13.284 -3.843) 15.388 9.107 ( -0.680 15.431 -2.119) 15.591 9.623 ( -18.971 5.962 4.466) 20.381 10.385 ( -11.572 -17.964 15.374) 26.325 10.590 ( -3.244 -15.638 9.487) 18.576 10.812 ( -5.642 -4.927 23.081) 24.266 11.048 ( -14.607 -13.057 13.459) 23.770 11.509 ( 24.388 0.376 -3.452) 24.634 11.939 ( 9.689 7.108 6.316) 13.575 12.016 ( 14.318 8.146 -2.012) 16.595 12.172 ( 8.010 10.320 9.747) 16.299 12.306 ( -1.659 -1.807 14.430) 14.637 13.102 ( -16.803 16.021 2.240) 23.325 13.614 ( -0.878 10.718 -13.686) 17.406 13.873 ( -20.021 -7.220 -8.246) 22.825 14.759 ( 1.720 -3.335 16.525) 16.946 15.177 ( 15.759 8.962 1.219) 18.170 16.025 ( 21.288 -12.662 -11.568) 27.337 17.011 ( -25.913 -4.195 -18.528) 32.130 ======================= Grid point 645 (196/279) ======================= q-point: ( 0.40 0.10 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.677 ( 0.970 -0.471 4.660) 4.783 4.764 ( 1.680 -3.757 1.257) 4.304 5.368 ( -5.312 6.248 9.754) 12.743 7.538 ( 7.471 -6.402 12.952) 16.265 7.726 ( -2.089 -8.908 27.862) 29.326 8.412 ( -15.500 21.861 -4.647) 27.198 9.102 ( -19.990 2.397 1.452) 20.185 9.442 ( 18.528 5.431 3.121) 19.558 10.408 ( -11.811 -21.710 10.243) 26.754 10.611 ( -10.803 -13.861 -9.727) 20.086 10.927 ( 7.539 -3.537 32.277) 33.334 11.017 ( -11.302 -19.055 11.583) 25.000 11.748 ( 10.623 14.911 8.447) 20.162 11.983 ( 8.353 14.744 7.420) 18.499 12.076 ( -0.663 -2.592 12.677) 12.956 12.192 ( 3.897 3.462 5.391) 7.499 12.386 ( 16.762 4.613 14.642) 22.730 12.613 ( -18.420 14.584 -0.908) 23.512 13.468 ( -24.088 -6.527 -14.393) 28.809 13.691 ( 6.707 2.976 -20.315) 21.600 14.784 ( -3.132 -2.438 19.441) 19.842 15.334 ( 16.831 11.271 4.718) 20.798 16.530 ( 19.932 -10.042 -13.543) 26.107 16.645 ( -20.421 -3.564 -17.112) 26.880 ======================= Grid point 646 (197/279) ======================= q-point: (-0.50 0.10 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.670 ( -1.803 0.385 6.291) 6.556 4.795 ( -2.722 -0.553 -3.661) 4.595 5.278 ( 0.369 -0.480 12.162) 12.177 7.588 ( -8.013 0.966 26.291) 27.502 7.919 ( 2.060 -8.275 6.891) 10.964 8.012 ( -0.300 3.802 4.335) 5.774 8.652 ( -29.697 -3.731 2.562) 30.040 9.730 ( 19.609 6.498 4.567) 21.157 10.518 ( -7.568 -21.667 8.860) 24.602 10.635 ( -6.271 -16.921 -16.974) 24.774 11.042 ( 0.299 -5.777 23.651) 24.348 11.126 ( -1.806 -14.641 10.345) 18.018 11.637 ( 1.742 18.636 8.403) 20.517 11.798 ( -15.014 6.765 21.280) 26.907 11.925 ( 2.570 13.614 4.226) 14.485 12.169 ( -11.861 14.821 5.574) 19.784 12.443 ( 12.115 -9.322 4.355) 15.895 12.648 ( 13.678 0.720 13.136) 18.978 13.092 ( -22.012 -2.469 -12.967) 25.667 13.889 ( 8.651 -7.869 -21.171) 24.187 14.720 ( -3.225 3.192 21.233) 21.713 15.455 ( 14.128 12.759 5.344) 19.772 16.290 ( -20.903 -1.406 -14.286) 25.357 17.038 ( 24.166 -6.342 -17.004) 30.222 ======================= Grid point 647 (198/279) ======================= q-point: (-0.40 0.10 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.614 ( -3.436 1.728 7.049) 8.030 4.693 ( -6.564 1.815 2.880) 7.394 5.384 ( 5.128 -7.076 9.539) 12.937 7.386 ( -8.983 4.496 19.121) 21.599 7.677 ( -15.275 4.600 25.523) 30.098 8.251 ( -18.905 -8.926 4.637) 21.415 8.493 ( 15.359 -22.485 -5.027) 27.690 9.907 ( 9.740 4.765 8.423) 13.730 10.589 ( -11.636 -16.837 0.853) 20.484 10.818 ( 2.361 -14.226 -9.893) 17.488 11.095 ( -4.549 -9.848 9.354) 14.324 11.204 ( -2.624 2.999 8.736) 9.602 11.346 ( -14.392 -2.323 -4.750) 15.332 11.547 ( -3.949 14.600 29.695) 33.325 11.830 ( -0.057 9.042 8.743) 12.578 11.920 ( 6.792 14.406 8.439) 18.024 12.686 ( -12.376 -19.005 -9.613) 24.633 12.748 ( 2.263 -12.123 4.632) 13.174 12.976 ( 13.676 11.660 15.878) 23.981 14.057 ( -8.152 -15.446 -10.798) 20.534 14.652 ( 7.376 10.804 14.219) 19.322 15.492 ( 8.852 14.162 3.941) 17.159 15.971 ( -16.229 2.313 -11.414) 19.976 17.488 ( 22.521 -3.241 -19.502) 29.967 ======================= Grid point 648 (199/279) ======================= q-point: (-0.30 0.10 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.494 ( -6.219 4.026 5.811) 9.415 4.608 ( -3.311 -2.034 14.034) 14.562 5.570 ( 5.401 -8.363 8.447) 13.056 7.184 ( -11.370 5.153 17.460) 21.463 7.403 ( -11.360 -3.529 31.878) 34.025 8.097 ( -12.767 -10.745 9.819) 19.361 9.086 ( 19.687 -22.977 -9.513) 31.718 9.965 ( 2.943 2.071 11.816) 12.352 10.469 ( -18.658 -6.919 -3.289) 20.170 10.901 ( -2.791 2.567 -4.556) 5.927 11.030 ( -10.089 0.707 22.738) 24.886 11.188 ( -2.959 -4.111 -4.359) 6.682 11.227 ( -2.978 0.320 -0.867) 3.118 11.349 ( -1.122 -2.527 6.376) 6.950 11.827 ( 6.548 1.062 11.332) 13.131 11.945 ( 11.437 10.845 11.419) 19.463 12.791 ( -8.411 -33.305 -11.230) 36.140 12.920 ( 8.874 5.964 14.191) 17.768 13.083 ( 6.704 -1.382 15.416) 16.868 13.953 ( -21.440 -11.920 10.493) 26.681 14.734 ( 14.719 9.310 -3.021) 17.676 15.397 ( -0.439 14.406 -1.172) 14.460 15.713 ( -7.452 7.097 -4.903) 11.399 17.854 ( 17.988 -0.599 -21.929) 28.370 ======================= Grid point 649 (200/279) ======================= q-point: (-0.20 0.10 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.353 ( -4.471 3.625 10.857) 12.288 4.613 ( -1.035 -4.518 17.200) 17.814 5.741 ( 3.486 -7.249 9.833) 12.704 6.918 ( -10.541 4.217 20.704) 23.612 7.396 ( -1.737 -9.880 32.915) 34.409 8.055 ( -6.755 -9.398 11.980) 16.658 9.597 ( 11.888 -13.065 -7.036) 19.014 9.998 ( 1.840 -3.315 12.677) 13.232 10.266 ( -9.433 -3.543 -2.734) 10.440 10.616 ( -11.524 18.182 32.449) 38.940 10.891 ( -1.129 4.759 -12.894) 13.791 11.098 ( -7.112 -6.132 -15.804) 18.383 11.330 ( -1.049 -14.217 -5.508) 15.283 11.519 ( 7.263 -8.213 13.128) 17.104 11.946 ( 8.505 5.083 11.000) 14.805 12.016 ( 5.887 0.843 14.186) 15.382 12.863 ( 5.891 22.772 8.062) 24.865 13.130 ( -1.490 -34.145 -4.670) 34.495 13.264 ( 1.947 -16.285 16.435) 23.218 13.711 ( -19.068 -8.432 20.048) 28.925 14.863 ( 11.478 7.525 -9.213) 16.530 15.165 ( -6.341 12.962 -5.654) 15.498 15.536 ( -1.398 11.766 0.263) 11.852 18.089 ( 10.253 1.328 -23.948) 26.084 ======================= Grid point 650 (201/279) ======================= q-point: (-0.10 0.10 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 470 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.275 ( -0.000 2.746 14.034) 14.301 4.666 ( 0.000 -5.086 17.891) 18.600 5.845 ( 0.000 -5.147 12.193) 13.235 6.785 ( -0.000 2.604 21.339) 21.497 7.515 ( 0.000 -10.548 34.502) 36.078 8.095 ( 0.000 -7.083 12.278) 14.174 9.745 ( 0.000 -1.423 10.107) 10.207 10.092 ( 0.000 -7.024 1.955) 7.291 10.227 ( -0.000 20.080 32.087) 37.852 10.299 ( 0.000 -3.043 2.843) 4.164 10.847 ( -0.000 0.217 -24.606) 24.607 11.142 ( 0.000 -8.690 -19.383) 21.242 11.491 ( 0.000 -15.428 -6.399) 16.702 11.692 ( 0.000 -7.818 25.586) 26.754 11.921 ( -0.000 10.286 13.331) 16.839 12.114 ( 0.000 -6.533 11.014) 12.806 12.619 ( -0.000 25.021 -0.042) 25.021 13.423 ( 0.000 -9.341 25.514) 27.170 13.495 ( 0.000 -21.632 6.043) 22.460 13.690 ( 0.000 -22.202 8.347) 23.719 14.904 ( -0.000 12.937 -3.050) 13.291 14.925 ( -0.000 7.308 -12.496) 14.476 15.377 ( -0.000 12.581 -1.141) 12.633 18.155 ( -0.000 2.268 -24.992) 25.095 ======================= Grid point 653 (202/279) ======================= q-point: ( 0.20 0.20 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 471 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.605 ( 5.161 0.000 5.052) 7.223 4.688 ( -0.913 -0.000 9.745) 9.787 5.634 ( -6.371 -0.000 8.007) 10.232 7.438 ( 5.756 0.000 21.309) 22.073 7.465 ( -2.412 -0.000 24.838) 24.955 9.001 ( 23.379 0.000 -0.066) 23.379 9.375 ( -17.687 -0.000 -9.023) 19.856 9.835 ( -23.308 -0.000 2.359) 23.427 10.036 ( -17.038 -0.000 4.357) 17.587 10.324 ( 4.369 0.000 26.773) 27.128 10.757 ( -6.362 -0.000 24.251) 25.072 10.881 ( -14.246 -0.000 13.262) 19.463 11.504 ( 25.156 0.000 -5.786) 25.812 12.004 ( 4.676 0.000 9.737) 10.802 12.120 ( 17.752 0.000 -2.956) 17.996 12.299 ( 6.097 0.000 9.562) 11.340 12.326 ( 5.324 0.000 11.018) 12.237 13.432 ( -20.214 -0.000 -0.071) 20.214 13.527 ( -18.320 -0.000 -0.621) 18.330 13.896 ( -8.791 -0.000 -15.327) 17.669 14.664 ( 2.179 0.000 21.317) 21.428 15.417 ( 21.094 0.000 -9.825) 23.270 15.771 ( 20.708 0.000 -6.402) 21.675 16.951 ( -25.958 -0.000 -18.501) 31.876 ======================= Grid point 654 (203/279) ======================= q-point: ( 0.30 0.20 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.669 ( 1.500 0.009 4.244) 4.501 4.691 ( 0.953 -2.007 5.185) 5.641 5.497 ( -7.250 3.453 7.058) 10.691 7.445 ( 2.607 -0.953 17.760) 17.976 7.539 ( -0.163 -5.865 23.654) 24.371 8.924 ( -19.057 16.918 -6.784) 26.370 9.196 ( -17.784 5.900 -2.978) 18.972 9.566 ( 16.292 4.659 4.831) 17.620 9.887 ( -18.476 -21.113 2.556) 28.172 10.269 ( -14.324 -10.096 2.887) 17.761 10.701 ( -11.324 -6.793 9.783) 16.434 10.859 ( 11.693 -1.820 33.824) 35.834 11.882 ( 18.861 -0.243 -1.686) 18.938 12.077 ( 3.904 2.554 15.939) 16.608 12.268 ( 3.786 6.159 17.803) 19.215 12.377 ( 7.511 7.374 1.906) 10.697 12.443 ( 8.368 0.721 8.134) 11.692 12.953 ( -19.610 13.102 -2.316) 23.698 13.266 ( -23.803 -9.991 -6.437) 26.605 13.736 ( -6.911 0.786 -15.256) 16.767 14.730 ( 3.373 -1.525 19.236) 19.589 15.672 ( 21.463 14.684 -5.705) 26.623 16.227 ( 20.191 -13.580 -9.117) 25.985 16.560 ( -21.147 -2.557 -16.847) 27.158 ======================= Grid point 655 (204/279) ======================= q-point: ( 0.40 0.20 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 852 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.672 ( -0.850 -0.087 5.604) 5.669 4.741 ( 0.494 -2.855 -1.430) 3.231 5.334 ( -6.088 3.624 8.697) 11.218 7.525 ( -2.438 -4.103 25.073) 25.523 7.634 ( 6.483 -9.141 11.486) 16.047 8.396 ( -16.614 18.809 -4.825) 25.555 8.660 ( -30.938 5.580 4.416) 31.746 9.809 ( -0.658 -7.209 8.779) 11.379 9.996 ( 7.773 -18.531 -9.553) 22.250 10.171 ( -13.770 -13.806 -1.735) 19.576 10.671 ( -6.811 -13.726 6.578) 16.675 11.064 ( 9.392 -0.778 25.017) 26.733 11.948 ( -18.111 7.288 3.978) 19.923 12.044 ( 5.651 11.346 12.379) 17.718 12.255 ( 8.867 4.759 5.009) 11.242 12.315 ( 0.403 7.158 7.784) 10.583 12.502 ( -6.909 -0.336 6.519) 9.505 12.616 ( -4.076 10.653 4.451) 12.244 13.052 ( -5.895 -4.226 6.825) 9.959 13.694 ( -3.954 -7.884 -15.516) 17.848 14.796 ( 5.399 2.601 17.385) 18.389 15.816 ( 18.405 17.249 -2.619) 25.360 16.216 ( -19.150 -3.818 -13.557) 23.772 16.796 ( 22.237 -13.516 -14.530) 29.804 ======================= Grid point 656 (205/279) ======================= q-point: (-0.50 0.20 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.641 ( -2.256 0.855 7.604) 7.978 4.732 ( -4.419 0.509 -4.315) 6.197 5.264 ( -0.187 -2.582 10.332) 10.652 7.450 ( -7.761 0.704 29.192) 30.214 7.866 ( -6.661 5.120 2.911) 8.891 8.055 ( 6.031 -6.862 0.844) 9.175 8.120 ( -26.994 -1.855 6.712) 27.877 9.866 ( -7.549 -14.495 5.112) 17.124 10.129 ( -13.697 -20.389 -4.051) 24.895 10.380 ( 13.464 -11.499 -9.024) 19.873 10.775 ( -2.327 -14.602 3.693) 15.240 11.150 ( -2.943 -1.585 10.920) 11.420 11.476 ( -19.848 7.230 -6.520) 22.108 11.953 ( 2.736 14.290 20.907) 25.471 12.171 ( -1.416 10.287 12.588) 16.318 12.275 ( -7.821 9.664 3.174) 12.831 12.336 ( -8.037 2.120 -2.675) 8.732 12.521 ( 4.906 -5.024 8.097) 10.718 13.180 ( 13.634 1.833 26.147) 29.546 13.724 ( -8.589 -12.322 -10.307) 18.216 14.859 ( 9.019 6.602 12.855) 17.035 15.874 ( 12.445 18.477 -3.396) 22.535 15.961 ( -14.558 -2.411 -9.825) 17.728 17.310 ( 20.632 -11.798 -17.450) 29.485 ======================= Grid point 657 (206/279) ======================= q-point: (-0.40 0.20 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 852 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.585 ( -2.408 1.817 9.876) 10.326 4.600 ( -7.104 2.888 1.369) 7.790 5.370 ( 3.726 -8.135 7.843) 11.898 7.290 ( -7.110 3.130 25.490) 26.648 7.450 ( -20.222 8.665 17.937) 28.385 7.861 ( -12.743 -7.908 6.271) 16.255 8.544 ( 19.901 -22.023 -5.481) 30.185 9.868 ( -12.109 -13.952 -0.184) 18.474 10.178 ( -9.741 -17.237 -0.657) 19.810 10.651 ( -2.779 -11.802 -9.665) 15.505 10.867 ( 1.342 -4.998 2.814) 5.890 11.008 ( -11.963 -9.456 -9.890) 18.175 11.292 ( -0.892 2.596 -3.057) 4.109 11.791 ( 0.064 17.566 32.235) 36.710 11.983 ( -7.517 3.084 4.980) 9.529 12.114 ( -0.742 2.026 3.255) 3.905 12.257 ( 3.413 4.900 6.178) 8.592 12.708 ( 5.253 -9.847 10.158) 15.091 13.352 ( 11.947 7.230 28.180) 31.450 13.662 ( -15.380 -10.764 -0.664) 18.785 14.947 ( 11.586 7.815 4.984) 14.837 15.690 ( -10.314 6.788 -11.589) 16.934 15.884 ( 5.698 12.122 1.249) 13.452 17.746 ( 16.340 -8.882 -20.111) 27.393 ======================= Grid point 658 (207/279) ======================= q-point: (-0.30 0.20 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.449 ( -4.616 4.233 6.087) 8.734 4.546 ( -1.627 -0.620 14.434) 14.539 5.539 ( 3.156 -9.468 6.852) 12.106 7.056 ( -11.512 7.439 18.563) 23.075 7.217 ( -4.424 -3.883 30.128) 30.697 7.814 ( -6.171 -9.885 10.125) 15.437 9.162 ( 20.845 -22.153 -8.973) 31.714 9.814 ( -14.062 -14.784 -2.804) 20.596 10.130 ( -10.552 -6.692 -6.244) 13.968 10.679 ( -5.373 -12.508 6.082) 14.910 10.942 ( -6.818 -5.717 -15.605) 17.963 11.003 ( 3.759 0.623 -0.995) 3.938 11.265 ( -3.079 -4.759 -2.457) 6.178 11.531 ( 3.465 26.104 30.186) 40.058 11.985 ( 3.714 -3.077 8.661) 9.914 12.180 ( 4.328 -1.812 6.515) 8.029 12.302 ( -2.677 -17.028 2.756) 17.456 12.934 ( 7.955 -10.258 12.747) 18.193 13.381 ( 6.782 15.316 24.113) 29.360 13.484 ( -18.566 -9.339 8.943) 22.625 15.051 ( 11.310 7.584 -2.389) 13.826 15.429 ( -9.823 8.674 -9.893) 16.419 15.807 ( 2.548 12.489 2.770) 13.043 18.049 ( 9.324 -5.451 -22.330) 24.805 ======================= Grid point 659 (208/279) ======================= q-point: (-0.20 0.20 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 471 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.359 ( -0.000 4.087 9.917) 10.727 4.555 ( 0.000 -3.163 16.942) 17.235 5.677 ( 0.000 -8.758 7.932) 11.817 6.880 ( -0.000 5.443 20.687) 21.391 7.262 ( 0.000 -8.891 32.123) 33.331 7.881 ( 0.000 -10.192 11.406) 15.296 9.611 ( 0.000 -10.799 -4.726) 11.788 9.832 ( 0.000 -17.973 -6.360) 19.065 10.113 ( 0.000 -8.017 -6.855) 10.548 10.683 ( -0.000 7.129 27.927) 28.823 10.909 ( -0.000 0.988 -16.314) 16.343 10.998 ( 0.000 -0.340 -9.445) 9.451 11.257 ( -0.000 1.174 23.815) 23.844 11.452 ( 0.000 -6.779 -9.861) 11.966 12.048 ( -0.000 0.667 19.089) 19.101 12.153 ( -0.000 8.804 11.524) 14.502 12.657 ( 0.000 -39.384 -7.032) 40.007 13.178 ( 0.000 -10.270 17.591) 20.370 13.193 ( -0.000 21.326 12.873) 24.910 13.389 ( 0.000 -9.317 18.095) 20.353 15.110 ( -0.000 7.462 -6.157) 9.674 15.182 ( -0.000 10.719 -9.236) 14.149 15.679 ( -0.000 12.439 3.707) 12.980 18.173 ( 0.000 -1.845 -23.757) 23.828 ======================= Grid point 664 (209/279) ======================= q-point: ( 0.30 0.30 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 470 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.671 ( 0.016 0.000 4.326) 4.326 4.702 ( 0.618 0.000 1.235) 1.381 5.386 ( -8.218 -0.000 6.820) 10.679 7.469 ( 2.979 0.000 16.624) 16.889 7.521 ( 1.025 0.000 19.339) 19.366 8.587 ( -28.505 -0.000 1.921) 28.569 8.974 ( -19.498 -0.000 -3.626) 19.833 9.374 ( -20.097 -0.000 -6.062) 20.991 9.836 ( -1.515 -0.000 3.206) 3.546 10.089 ( 11.255 0.000 1.406) 11.343 10.490 ( -8.360 -0.000 5.610) 10.068 11.054 ( 10.401 0.000 25.601) 27.633 12.051 ( -7.060 -0.000 -1.244) 7.169 12.154 ( -0.591 -0.000 13.658) 13.671 12.268 ( -2.678 -0.000 2.206) 3.469 12.438 ( -8.252 -0.000 1.458) 8.380 12.516 ( 2.981 0.000 7.055) 7.658 12.886 ( 1.147 0.000 7.559) 7.645 12.897 ( -5.271 -0.000 14.591) 15.514 13.576 ( -9.896 -0.000 -11.356) 15.063 14.828 ( 7.923 0.000 15.883) 17.750 16.142 ( -16.346 -0.000 -10.662) 19.516 16.147 ( 20.984 0.000 -10.163) 23.315 16.532 ( 18.418 0.000 -11.884) 21.920 ======================= Grid point 665 (210/279) ======================= q-point: (-0.60 0.30 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.664 ( -0.660 1.239 3.783) 4.035 4.709 ( -1.165 -1.831 -1.996) 2.948 5.249 ( -6.501 0.378 8.645) 10.823 7.482 ( -0.212 3.407 20.454) 20.737 7.644 ( 6.836 -10.350 9.267) 15.483 8.099 ( -27.216 0.766 7.754) 28.309 8.458 ( -18.389 23.495 -2.110) 29.910 9.273 ( -18.480 -28.209 -6.330) 34.312 9.744 ( -9.190 -8.943 0.106) 12.823 10.348 ( 10.638 3.112 -0.545) 11.098 10.486 ( 6.166 -8.758 0.242) 10.713 11.139 ( -3.251 0.003 14.028) 14.400 11.636 ( -24.010 5.669 -11.301) 27.136 11.948 ( -26.405 -6.589 -10.422) 29.142 12.339 ( 3.201 6.745 8.969) 11.670 12.355 ( 5.624 -2.332 6.395) 8.830 12.510 ( 3.699 9.855 12.478) 16.326 12.816 ( 4.553 15.861 22.409) 27.829 13.063 ( 7.520 -8.811 26.235) 28.679 13.477 ( -7.300 -8.341 -5.114) 12.207 14.963 ( 9.372 2.187 12.534) 15.802 15.899 ( -13.569 -1.907 -8.925) 16.353 16.337 ( 16.626 18.319 -9.549) 26.518 16.962 ( 18.336 -15.641 -14.385) 28.067 ======================= Grid point 666 (211/279) ======================= q-point: (-0.50 0.30 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.617 ( -2.756 1.601 4.346) 5.389 4.674 ( -3.311 1.962 -1.539) 4.145 5.209 ( -0.910 -5.006 9.013) 10.350 7.403 ( -2.026 6.860 23.721) 24.776 7.610 ( -23.699 -0.391 10.557) 25.947 7.883 ( -8.729 11.074 0.876) 14.127 8.098 ( 9.750 -11.707 2.856) 15.501 9.309 ( -19.631 -29.661 -7.283) 36.307 9.783 ( -2.306 -13.709 -1.471) 13.979 10.456 ( 1.693 -6.490 -3.419) 7.528 10.751 ( 10.065 -4.914 -5.759) 12.594 10.875 ( -20.054 -0.833 -4.110) 20.488 11.363 ( -5.405 2.769 -1.585) 6.277 11.578 ( -27.161 -10.548 -17.473) 33.975 12.311 ( 6.341 13.235 19.599) 24.484 12.416 ( 2.463 5.498 12.940) 14.273 12.515 ( 6.991 3.350 4.710) 9.071 12.645 ( 2.858 19.228 26.669) 33.002 13.241 ( -3.315 -11.561 14.646) 18.951 13.518 ( 1.681 -6.063 16.649) 17.799 15.086 ( 9.706 3.891 8.378) 13.399 15.718 ( -10.865 -1.243 -6.940) 12.952 16.324 ( 10.949 21.987 -7.876) 25.794 17.437 ( 14.548 -16.674 -17.500) 28.212 ======================= Grid point 667 (212/279) ======================= q-point: (-0.40 0.30 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.532 ( -4.119 2.552 2.732) 5.563 4.590 ( -1.385 3.901 7.317) 8.406 5.311 ( 1.619 -9.378 6.521) 11.536 7.233 ( -12.776 5.732 18.883) 23.508 7.270 ( -4.085 8.769 21.260) 23.357 7.660 ( -5.991 -0.507 6.287) 8.699 8.611 ( 19.816 -23.434 -4.893) 31.077 9.302 ( -20.778 -26.708 -7.765) 34.718 9.934 ( 0.324 -10.111 -4.644) 11.131 10.404 ( -12.715 -7.762 -3.584) 15.322 10.768 ( -0.561 -9.367 -13.163) 16.165 10.980 ( 9.671 -1.122 -5.206) 11.040 11.274 ( -4.199 2.077 -1.925) 5.064 11.370 ( -16.799 -23.662 -15.100) 32.713 12.232 ( 5.191 20.293 40.151) 45.286 12.326 ( 1.966 19.424 12.254) 23.050 12.401 ( 0.464 6.898 12.009) 13.857 12.742 ( 10.071 -5.535 7.413) 13.675 13.221 ( -13.322 -10.905 6.208) 18.301 13.619 ( 5.132 1.937 30.810) 31.294 15.196 ( 9.262 4.486 3.123) 10.755 15.548 ( -9.318 1.814 -5.928) 11.192 16.200 ( 5.056 20.949 -5.275) 22.187 17.816 ( 8.301 -14.204 -19.886) 25.809 ======================= Grid point 668 (213/279) ======================= q-point: (-0.30 0.30 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 470 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.455 ( -0.000 3.726 5.089) 6.307 4.542 ( -0.000 2.061 11.916) 12.093 5.448 ( 0.000 -10.303 5.759) 11.803 7.035 ( -0.000 7.210 18.753) 20.091 7.171 ( -0.000 2.494 26.413) 26.531 7.662 ( 0.000 -7.022 9.320) 11.669 9.227 ( 0.000 -21.132 -5.578) 21.856 9.271 ( 0.000 -26.967 -11.099) 29.161 9.986 ( 0.000 -3.680 -8.919) 9.648 10.462 ( 0.000 -16.254 5.954) 17.310 10.826 ( 0.000 -4.202 -18.221) 18.699 11.127 ( -0.000 6.680 0.456) 6.695 11.150 ( 0.000 -5.735 -9.311) 10.936 11.620 ( 0.000 -33.491 -9.078) 34.700 11.930 ( -0.000 28.949 39.357) 48.857 12.235 ( -0.000 5.958 14.392) 15.577 12.330 ( -0.000 6.208 10.809) 12.465 12.966 ( 0.000 -7.428 9.499) 12.058 13.154 ( 0.000 -9.143 8.823) 12.706 13.597 ( -0.000 9.820 28.922) 30.544 15.256 ( -0.000 4.771 -0.844) 4.845 15.388 ( -0.000 5.971 -7.311) 9.439 16.012 ( -0.000 17.347 -1.235) 17.391 18.034 ( 0.000 -10.256 -21.577) 23.890 ======================= Grid point 675 (214/279) ======================= q-point: ( 0.40 -0.60 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 471 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.645 ( -3.694 -0.000 -1.238) 3.896 4.689 ( 0.877 0.000 0.738) 1.146 5.149 ( -4.665 -0.000 9.651) 10.719 7.546 ( -12.817 -0.000 6.173) 14.226 7.590 ( 3.997 0.000 15.472) 15.980 7.783 ( -1.530 -0.000 14.486) 14.566 8.356 ( -17.409 -0.000 -1.355) 17.462 8.734 ( -18.131 -0.000 -6.506) 19.263 9.609 ( -0.324 -0.000 -3.794) 3.808 10.364 ( 1.434 0.000 -2.990) 3.316 10.696 ( 6.766 0.000 -6.990) 9.728 10.876 ( -18.645 -0.000 -2.891) 18.868 11.421 ( -28.487 -0.000 -16.242) 32.792 11.434 ( -5.947 -0.000 -2.204) 6.342 12.425 ( 4.290 0.000 9.094) 10.055 12.477 ( 7.106 0.000 7.584) 10.393 12.613 ( 0.925 0.000 8.913) 8.961 12.995 ( -1.445 -0.000 19.140) 19.194 13.101 ( 7.122 0.000 32.314) 33.090 13.325 ( -1.905 -0.000 15.189) 15.308 15.132 ( 9.038 0.000 9.432) 13.064 15.697 ( -9.670 -0.000 -5.161) 10.961 16.736 ( 13.127 0.000 -12.245) 17.952 17.093 ( 12.648 0.000 -15.100) 19.698 ======================= Grid point 677 (215/279) ======================= q-point: (-0.50 0.40 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.577 ( -3.242 1.078 -0.159) 3.420 4.683 ( -0.002 3.008 1.007) 3.172 5.128 ( -1.070 -5.064 9.054) 10.429 7.284 ( -13.433 -0.565 13.534) 19.077 7.560 ( 5.221 14.679 15.344) 21.867 7.885 ( -10.077 14.902 2.575) 18.173 8.104 ( 10.838 -16.365 3.363) 19.914 8.644 ( -18.354 -25.956 -4.982) 32.178 9.723 ( 8.893 -5.640 -7.915) 13.174 10.329 ( -20.962 0.736 -11.517) 23.929 10.508 ( 3.087 -9.756 -9.631) 14.052 10.970 ( 7.160 0.139 -5.254) 8.882 11.020 ( -19.554 -5.643 -15.521) 25.595 11.346 ( -4.675 1.547 1.408) 5.122 12.473 ( 1.762 1.512 10.262) 10.521 12.525 ( 2.503 9.639 10.501) 14.473 12.647 ( 7.568 -1.787 3.079) 8.363 12.925 ( -3.361 6.090 22.962) 23.993 13.029 ( -3.099 9.443 18.644) 21.128 13.478 ( 3.666 -12.956 35.989) 38.425 15.264 ( 7.804 1.384 6.163) 10.040 15.557 ( -7.596 -0.228 -1.959) 7.848 16.737 ( 6.412 21.754 -11.802) 25.566 17.406 ( 7.204 -18.612 -17.164) 26.323 ======================= Grid point 678 (216/279) ======================= q-point: (-0.40 0.40 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 471 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.527 ( -0.000 2.221 1.258) 2.552 4.631 ( -0.000 4.734 4.752) 6.708 5.211 ( 0.000 -9.025 6.817) 11.310 7.159 ( -0.000 1.958 16.261) 16.378 7.410 ( -0.000 17.463 18.233) 25.247 7.635 ( -0.000 6.243 5.608) 8.392 8.641 ( 0.000 -24.889 -8.277) 26.229 8.647 ( 0.000 -27.167 -0.296) 27.168 9.921 ( 0.000 -1.872 -11.329) 11.483 10.121 ( 0.000 -10.958 -5.966) 12.477 10.746 ( 0.000 -2.376 -17.186) 17.349 10.859 ( 0.000 -22.237 -11.379) 24.980 11.099 ( 0.000 -2.906 -8.194) 8.694 11.256 ( -0.000 3.887 3.414) 5.173 12.427 ( -0.000 9.978 12.557) 16.038 12.450 ( -0.000 3.923 10.713) 11.409 12.665 ( -0.000 27.497 39.423) 48.065 12.828 ( 0.000 -4.318 1.995) 4.757 12.945 ( 0.000 -7.512 5.604) 9.372 13.634 ( 0.000 -6.694 37.143) 37.742 15.336 ( -0.000 2.084 3.070) 3.711 15.463 ( -0.000 1.068 -1.394) 1.756 16.513 ( -0.000 23.805 -9.636) 25.681 17.692 ( 0.000 -18.139 -18.853) 26.162 ======================= Grid point 688 (217/279) ======================= q-point: (-0.50 0.50 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.554 ( 0.000 -0.000 -0.232) 0.232 4.709 ( 0.000 -0.000 -0.671) 0.671 5.082 ( -0.000 0.000 9.930) 9.930 7.166 ( 0.000 -0.000 14.955) 14.955 7.823 ( -0.000 0.000 2.130) 2.130 7.871 ( 0.000 -0.000 11.637) 11.637 8.072 ( -0.000 0.000 5.765) 5.765 8.243 ( 0.000 -0.000 -4.475) 4.475 9.899 ( 0.000 -0.000 -12.305) 12.305 9.986 ( 0.000 -0.000 -13.469) 13.469 10.578 ( 0.000 -0.000 -8.874) 8.874 10.718 ( 0.000 -0.000 -16.835) 16.835 11.075 ( 0.000 -0.000 -6.698) 6.698 11.303 ( 0.000 -0.000 4.511) 4.511 12.502 ( 0.000 -0.000 11.829) 11.829 12.619 ( 0.000 -0.000 3.635) 3.635 12.739 ( 0.000 -0.000 9.753) 9.753 12.772 ( -0.000 0.000 -2.279) 2.279 13.236 ( -0.000 0.000 40.019) 40.019 13.356 ( 0.000 -0.000 39.307) 39.307 15.360 ( 0.000 -0.000 4.581) 4.581 15.471 ( 0.000 -0.000 0.941) 0.941 16.965 ( 0.000 -0.000 -13.051) 13.051 17.312 ( -0.000 0.000 -16.987) 16.987 ======================= Grid point 735 (218/279) ======================= q-point: ( 0.00 0.00 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 279 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.462 ( 0.000 0.000 7.340) 7.340 5.004 ( 0.000 0.000 10.222) 10.222 6.138 ( 0.000 0.000 8.754) 8.754 7.188 ( 0.000 0.000 21.129) 21.129 8.307 ( 0.000 0.000 29.920) 29.920 8.460 ( 0.000 0.000 16.303) 16.303 9.815 ( 0.000 0.000 -5.356) 5.356 10.014 ( 0.000 0.000 -23.821) 23.821 10.362 ( 0.000 0.000 -11.944) 11.944 10.552 ( 0.000 0.000 12.395) 12.395 10.676 ( 0.000 0.000 42.786) 42.786 10.851 ( 0.000 0.000 -19.361) 19.361 11.425 ( 0.000 0.000 -33.311) 33.311 12.040 ( 0.000 0.000 4.289) 4.289 12.103 ( 0.000 0.000 15.382) 15.382 12.491 ( 0.000 0.000 17.988) 17.988 12.492 ( 0.000 0.000 26.310) 26.310 13.725 ( 0.000 0.000 -18.592) 18.592 14.034 ( 0.000 0.000 18.942) 18.942 14.158 ( 0.000 0.000 14.126) 14.126 14.519 ( 0.000 0.000 -13.799) 13.799 14.530 ( 0.000 0.000 -18.379) 18.379 15.459 ( 0.000 0.000 28.586) 28.586 17.586 ( 0.000 0.000 -28.563) 28.563 ======================= Grid point 736 (219/279) ======================= q-point: ( 0.10 0.00 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.485 ( 2.404 -0.430 6.456) 6.902 4.977 ( -1.393 2.345 9.998) 10.364 6.074 ( -4.060 4.453 8.021) 10.033 7.283 ( 9.960 -1.102 20.839) 23.123 8.234 ( -4.002 6.297 29.035) 29.978 8.491 ( 5.577 2.084 16.955) 17.970 9.681 ( -8.844 9.822 -9.622) 16.348 10.042 ( 5.516 3.335 -25.227) 26.037 10.362 ( 4.641 4.673 -3.365) 7.396 10.592 ( 0.684 -2.915 9.545) 10.004 10.816 ( 4.081 -14.430 22.495) 27.035 10.930 ( 10.447 -1.018 -0.942) 10.539 11.339 ( 4.133 14.320 -25.355) 29.412 12.016 ( -11.991 -4.215 14.529) 19.304 12.116 ( -9.106 -11.000 13.076) 19.362 12.347 ( -0.931 7.083 12.883) 14.731 12.525 ( -3.757 -6.006 16.501) 17.957 13.608 ( -1.167 17.240 -17.268) 24.429 13.912 ( -2.824 17.332 8.946) 19.708 14.235 ( 15.427 4.416 14.722) 21.777 14.468 ( -9.266 -4.548 -14.200) 17.555 14.730 ( 8.690 -14.639 -7.832) 18.739 15.498 ( -1.464 -8.069 25.508) 26.794 17.520 ( -9.288 -2.223 -27.679) 29.281 ======================= Grid point 737 (220/279) ======================= q-point: ( 0.20 0.00 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 852 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.544 ( 3.635 -0.590 4.154) 5.551 4.916 ( -1.652 2.951 9.086) 9.695 5.916 ( -5.912 7.341 6.706) 11.568 7.505 ( 12.775 -0.976 20.340) 24.039 8.089 ( -0.917 6.673 24.669) 25.572 8.579 ( 8.107 3.665 17.632) 19.750 9.313 ( -13.786 18.688 -15.153) 27.729 10.034 ( -3.242 2.629 -13.258) 13.899 10.514 ( 19.940 2.590 -2.296) 20.238 10.622 ( -3.555 -3.607 -4.938) 7.073 11.030 ( 8.700 -5.637 -1.773) 10.517 11.169 ( 6.822 -5.285 10.270) 13.414 11.403 ( 21.352 4.953 2.971) 22.119 11.802 ( -18.330 -3.583 19.266) 26.832 11.934 ( -15.377 -4.713 17.119) 23.489 12.270 ( -0.188 11.618 12.291) 16.914 12.622 ( -2.569 -17.684 2.509) 18.045 13.318 ( -1.302 26.276 -14.698) 30.136 13.609 ( -7.821 18.194 4.054) 20.214 14.258 ( -6.266 10.033 -18.453) 21.919 14.549 ( 10.836 -9.599 18.359) 23.380 15.067 ( 10.801 -12.576 -2.256) 16.731 15.589 ( -0.876 -10.673 17.898) 20.857 17.336 ( -16.591 -3.643 -25.251) 30.432 ======================= Grid point 738 (221/279) ======================= q-point: ( 0.30 0.00 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.609 ( 3.113 -0.401 1.087) 3.322 4.868 ( -0.498 1.617 7.329) 7.522 5.723 ( -5.833 7.820 6.393) 11.664 7.634 ( 3.383 2.140 17.440) 17.894 8.161 ( 12.170 -2.629 21.211) 24.596 8.627 ( 1.363 9.053 5.881) 10.882 8.867 ( -5.172 19.470 -3.653) 20.474 9.893 ( -12.435 -1.089 -2.638) 12.759 10.543 ( -6.527 0.571 -19.431) 20.506 10.918 ( 28.950 1.543 -4.125) 29.283 11.190 ( -3.585 -11.141 17.237) 20.835 11.361 ( 11.965 4.141 -2.421) 12.891 11.564 ( 2.174 2.685 9.535) 10.142 11.738 ( -2.986 -6.714 13.982) 15.795 11.872 ( 5.985 -12.081 22.612) 26.326 12.102 ( 2.001 15.452 11.458) 19.340 12.756 ( -6.519 -15.650 4.134) 17.450 13.002 ( 2.792 26.180 -15.001) 30.302 13.222 ( -14.615 15.647 1.577) 21.469 13.964 ( -16.974 5.785 -20.642) 27.343 14.847 ( 14.355 -3.498 18.359) 23.566 15.333 ( 3.642 -9.580 5.279) 11.529 15.746 ( 7.442 -8.435 4.362) 12.064 17.063 ( -20.787 -3.674 -21.739) 30.302 ======================= Grid point 739 (222/279) ======================= q-point: ( 0.40 0.00 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 852 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.652 ( 1.528 -0.233 -2.024) 2.547 4.861 ( 0.599 0.166 5.344) 5.380 5.559 ( -3.866 5.323 7.590) 10.044 7.671 ( 3.412 -1.907 8.566) 9.415 8.255 ( -10.742 13.722 -5.630) 18.314 8.453 ( 5.725 -4.503 27.449) 28.399 8.881 ( 19.836 11.300 5.572) 23.499 9.643 ( -20.051 -3.451 0.548) 20.354 10.439 ( -3.242 1.828 -23.617) 23.909 11.112 ( -6.890 -0.554 14.982) 16.499 11.371 ( 15.677 -3.473 7.795) 17.849 11.489 ( 6.317 -6.134 8.851) 12.484 11.715 ( -5.617 -13.498 8.889) 17.110 11.752 ( 18.322 12.654 6.945) 23.325 11.903 ( 0.734 7.013 9.279) 11.654 12.280 ( 18.768 -2.999 19.127) 26.964 12.744 ( -14.646 7.435 2.152) 16.566 12.756 ( -19.221 -5.789 7.571) 21.455 12.894 ( 15.997 16.214 -21.095) 31.045 13.570 ( -23.175 3.113 -22.314) 32.322 15.089 ( 11.375 -0.159 18.280) 21.531 15.412 ( -4.240 -6.570 9.959) 12.662 16.034 ( 16.748 -4.258 -7.780) 18.951 16.739 ( -21.796 -2.164 -17.350) 27.942 ======================= Grid point 740 (223/279) ======================= q-point: (-0.50 0.00 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 442 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.666 ( 0.000 -0.000 -3.530) 3.530 4.868 ( 0.000 -0.000 4.377) 4.377 5.491 ( 0.000 -0.000 8.616) 8.616 7.767 ( -0.000 0.000 -0.629) 0.629 8.000 ( 0.000 -0.000 0.042) 0.042 8.541 ( 0.000 0.000 34.164) 34.164 9.074 ( 0.000 -0.000 -0.660) 0.660 9.412 ( -0.000 -0.000 1.935) 1.935 10.401 ( 0.000 -0.000 -24.080) 24.080 11.048 ( 0.000 -0.000 14.328) 14.328 11.520 ( 0.000 0.000 21.508) 21.508 11.584 ( -0.000 -0.000 3.638) 3.638 11.724 ( -0.000 -0.000 12.594) 12.594 11.769 ( 0.000 0.000 12.451) 12.451 12.162 ( 0.000 -0.000 -4.074) 4.074 12.281 ( 0.000 -0.000 -1.280) 1.280 12.568 ( -0.000 -0.000 18.288) 18.288 12.601 ( 0.000 0.000 13.081) 13.081 13.141 ( -0.000 -0.000 -22.624) 22.624 13.161 ( 0.000 0.000 -24.457) 24.457 15.198 ( -0.000 -0.000 19.459) 19.459 15.400 ( 0.000 0.000 9.066) 9.066 16.336 ( 0.000 -0.000 -18.085) 18.085 16.435 ( -0.000 -0.000 -8.599) 8.599 ======================= Grid point 747 (224/279) ======================= q-point: ( 0.10 0.10 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 470 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.537 ( 3.876 0.000 5.002) 6.328 4.954 ( -2.794 -0.000 8.843) 9.274 6.011 ( -6.367 -0.000 7.496) 9.836 7.493 ( 14.671 0.000 20.706) 25.377 8.185 ( -6.390 -0.000 28.685) 29.388 8.602 ( 7.368 0.000 12.965) 14.912 9.591 ( -10.581 -0.000 -10.435) 14.861 10.063 ( -5.178 -0.000 -31.328) 31.753 10.562 ( -7.074 -0.000 5.831) 9.168 10.563 ( 17.342 0.000 2.083) 17.466 10.795 ( 7.608 0.000 30.023) 30.972 11.176 ( 17.994 0.000 -8.627) 19.955 11.538 ( 6.896 0.000 -9.014) 11.349 11.794 ( -17.702 -0.000 22.020) 28.253 11.809 ( -10.321 -0.000 7.535) 12.778 12.324 ( 0.673 0.000 5.540) 5.581 12.500 ( 0.491 0.000 17.045) 17.052 13.673 ( -3.638 -0.000 -18.937) 19.283 13.979 ( -11.208 -0.000 0.750) 11.233 14.113 ( -9.986 -0.000 1.563) 10.108 14.681 ( 14.381 0.000 -3.593) 14.823 14.788 ( 15.674 0.000 2.665) 15.899 15.426 ( -0.244 -0.000 22.327) 22.329 17.283 ( -16.995 -0.000 -25.775) 30.873 ======================= Grid point 748 (225/279) ======================= q-point: ( 0.20 0.10 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.605 ( 3.833 -0.048 2.833) 4.766 4.896 ( -3.067 0.684 7.428) 8.065 5.872 ( -7.136 3.803 6.384) 10.302 7.706 ( 9.342 2.773 21.029) 23.177 8.088 ( -3.103 -2.795 26.121) 26.453 8.743 ( 9.777 1.803 6.284) 11.761 9.305 ( -11.914 14.247 -12.280) 22.265 9.909 ( -12.391 0.699 -15.536) 19.885 10.402 ( -14.554 -7.742 -6.614) 17.763 10.909 ( 9.137 -5.448 20.072) 22.716 10.972 ( 17.367 -1.130 4.333) 17.935 11.401 ( -2.345 -0.264 8.472) 8.794 11.451 ( -12.950 -3.536 12.292) 18.202 11.645 ( 7.755 -4.142 10.639) 13.801 11.872 ( 20.024 6.176 1.650) 21.020 12.418 ( 4.895 0.645 6.959) 8.533 12.482 ( 0.830 0.383 11.418) 11.455 13.503 ( -6.732 13.421 -14.662) 20.986 13.606 ( -15.984 13.932 -5.511) 21.908 13.942 ( -20.533 -6.860 -10.546) 24.081 14.895 ( 19.202 6.882 8.040) 21.926 15.102 ( 8.168 -9.233 9.425) 15.517 15.534 ( 9.180 -7.297 8.628) 14.559 16.972 ( -21.461 -2.756 -22.537) 31.242 ======================= Grid point 749 (226/279) ======================= q-point: ( 0.30 0.10 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.655 ( 2.221 0.441 0.283) 2.282 4.852 ( -1.917 -0.701 5.796) 6.145 5.697 ( -6.697 5.455 6.218) 10.642 7.710 ( 0.803 4.982 16.654) 17.402 8.194 ( 1.585 -11.744 26.819) 29.321 8.693 ( -9.472 17.268 -12.783) 23.480 9.102 ( 10.843 6.588 2.074) 12.856 9.635 ( -16.980 2.585 -1.886) 17.279 10.288 ( -14.542 -13.730 -16.807) 26.123 10.871 ( -16.745 -10.367 18.349) 26.918 11.247 ( -9.004 -8.903 9.366) 15.750 11.383 ( 5.248 -1.805 20.224) 20.972 11.468 ( 17.941 -5.537 1.563) 18.841 11.938 ( 20.495 4.085 -0.565) 20.906 12.160 ( 14.965 7.028 14.095) 21.726 12.399 ( 12.506 11.016 12.271) 20.696 12.568 ( 0.084 -4.310 8.709) 9.717 13.068 ( -21.897 13.612 -4.459) 26.165 13.297 ( -1.801 14.148 -17.168) 22.319 13.599 ( -24.555 -0.547 -17.073) 29.912 15.106 ( 8.887 0.433 17.194) 19.360 15.280 ( 7.694 -2.660 7.609) 11.144 15.874 ( 17.911 -8.535 -4.239) 20.288 16.647 ( -22.239 -4.495 -18.324) 29.164 ======================= Grid point 750 (227/279) ======================= q-point: ( 0.40 0.10 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.670 ( 0.478 0.460 -2.347) 2.439 4.844 ( -1.284 -1.823 4.530) 5.049 5.542 ( -4.620 3.758 7.358) 9.466 7.714 ( 3.580 -0.791 7.632) 8.467 8.244 ( -10.462 13.540 0.662) 17.123 8.355 ( -5.230 -9.659 20.751) 23.479 9.119 ( -16.629 1.907 1.030) 16.769 9.490 ( 15.495 5.366 1.634) 16.479 10.227 ( -12.722 -14.458 -20.782) 28.333 10.739 ( -16.212 -16.831 15.181) 27.867 11.213 ( -12.034 -17.590 8.907) 23.099 11.472 ( 1.942 -3.514 20.911) 21.293 11.847 ( 15.467 3.190 1.450) 15.859 12.115 ( 4.897 13.766 8.336) 16.822 12.172 ( 16.294 6.997 5.569) 18.586 12.387 ( -23.913 4.458 2.033) 24.410 12.653 ( 5.520 6.317 10.628) 13.540 12.685 ( 7.398 5.641 9.869) 13.563 13.128 ( -17.085 0.654 -17.510) 24.473 13.287 ( 6.187 7.921 -19.812) 22.216 15.163 ( -2.495 -2.613 19.111) 19.449 15.450 ( 12.631 4.334 5.783) 14.552 16.272 ( 10.949 -5.512 -15.961) 20.125 16.359 ( -10.771 -5.447 -9.127) 15.132 ======================= Grid point 751 (228/279) ======================= q-point: (-0.50 0.10 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.662 ( -0.876 0.528 -3.458) 3.606 4.838 ( -2.080 -1.750 4.618) 5.359 5.478 ( -0.740 -1.219 8.019) 8.145 7.779 ( -1.585 4.256 0.307) 4.552 8.014 ( 3.006 -2.104 0.177) 3.674 8.401 ( -7.277 -11.531 30.807) 33.690 8.706 ( -27.127 -0.651 3.304) 27.335 9.778 ( 22.079 6.954 0.927) 23.166 10.214 ( -9.890 -16.610 -24.680) 31.350 10.747 ( -11.689 -22.891 13.505) 29.035 11.250 ( -11.027 -19.313 6.725) 23.234 11.489 ( -4.290 -1.190 16.770) 17.351 11.674 ( -24.265 6.716 -2.773) 25.329 11.998 ( 0.705 12.656 7.247) 14.601 12.087 ( 8.050 13.969 6.490) 17.380 12.477 ( 10.747 -8.766 0.528) 13.879 12.494 ( -10.133 7.505 9.921) 16.044 12.598 ( -11.739 -1.901 -2.749) 12.206 13.104 ( 21.741 14.967 9.698) 28.120 13.470 ( 12.644 -4.797 -21.027) 25.000 15.109 ( -4.701 1.098 18.247) 18.875 15.568 ( 8.542 6.920 5.146) 12.138 16.066 ( -15.093 -1.283 -8.604) 17.421 16.713 ( 20.758 -4.695 -15.731) 26.465 ======================= Grid point 752 (229/279) ======================= q-point: (-0.40 0.10 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.625 ( -2.470 0.921 -1.535) 3.051 4.824 ( -1.961 -2.090 6.453) 7.060 5.546 ( 2.918 -6.513 6.660) 9.761 7.645 ( -3.770 3.724 10.639) 11.886 8.214 ( -16.763 1.868 13.214) 21.426 8.323 ( 7.236 -14.253 0.823) 16.006 8.448 ( -10.119 -16.363 15.057) 24.431 9.965 ( 6.415 2.780 -2.465) 7.413 10.335 ( 2.401 -14.408 -22.372) 26.718 10.763 ( -21.641 -15.065 4.004) 26.671 11.211 ( -13.764 -8.044 -2.360) 16.116 11.287 ( -17.256 -13.596 4.326) 22.390 11.366 ( -7.240 3.825 9.970) 12.901 11.958 ( 6.717 5.954 7.674) 11.809 12.085 ( 9.620 11.751 7.880) 17.109 12.227 ( -8.151 10.701 16.759) 21.490 12.413 ( -7.165 -10.172 -0.685) 12.461 12.855 ( 11.082 -11.348 4.597) 16.514 13.246 ( 18.253 19.524 7.738) 27.825 13.739 ( 6.242 -11.702 -17.849) 22.237 14.990 ( -3.334 6.949 16.975) 18.643 15.537 ( -2.545 7.815 -0.869) 8.265 15.887 ( -4.001 3.442 3.862) 6.540 17.092 ( 19.512 -1.987 -20.485) 28.361 ======================= Grid point 753 (230/279) ======================= q-point: (-0.30 0.10 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.564 ( -3.224 1.035 1.931) 3.898 4.834 ( -0.579 -3.520 8.802) 9.497 5.707 ( 4.399 -9.462 5.386) 11.742 7.539 ( -8.083 2.079 18.374) 20.181 7.941 ( -9.620 -4.745 19.252) 22.038 8.388 ( -10.414 -11.865 22.390) 27.396 8.834 ( 16.977 -20.556 -15.006) 30.593 9.978 ( -5.071 -4.461 -9.881) 11.969 10.411 ( -23.136 -5.531 -2.713) 23.942 10.578 ( 5.751 -7.843 -18.595) 20.984 10.978 ( -19.798 -4.325 -10.783) 22.955 11.180 ( -9.712 1.164 4.640) 10.827 11.437 ( 2.748 -18.667 14.583) 23.847 11.901 ( -3.834 22.004 30.109) 37.489 12.081 ( 12.144 4.393 12.564) 18.018 12.169 ( 9.824 2.172 8.652) 13.270 12.582 ( -1.334 -25.726 -6.395) 26.542 13.096 ( 7.054 2.504 3.764) 8.379 13.286 ( 9.384 5.778 4.423) 11.875 13.913 ( -5.509 -15.390 -10.929) 19.663 14.856 ( 2.074 12.716 12.034) 17.630 15.328 ( -8.704 9.434 -4.360) 13.556 15.820 ( 2.316 7.917 13.712) 16.002 17.398 ( 15.557 0.491 -24.104) 28.693 ======================= Grid point 754 (231/279) ======================= q-point: (-0.20 0.10 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.503 ( -2.252 1.034 4.923) 5.511 4.884 ( 0.355 -4.824 10.458) 11.522 5.893 ( 3.430 -9.937 5.705) 11.961 7.334 ( -9.437 3.143 20.267) 22.576 8.008 ( 2.610 -11.138 27.382) 29.676 8.350 ( -8.716 -9.783 19.835) 23.772 9.352 ( 16.312 -17.051 -16.893) 29.021 9.900 ( -12.303 -8.040 -17.280) 22.685 10.202 ( -9.512 -8.216 -2.744) 12.865 10.690 ( -2.200 0.891 -7.805) 8.158 10.808 ( -2.982 -5.829 -13.940) 15.401 11.019 ( -10.450 -3.916 -5.072) 12.258 11.445 ( 0.421 26.309 33.694) 42.751 11.851 ( 1.418 -21.468 17.486) 27.724 12.196 ( 9.739 7.724 11.822) 17.154 12.353 ( 10.503 0.090 16.937) 19.930 12.841 ( 0.080 -5.032 -10.181) 11.357 13.057 ( 2.686 -2.437 -1.319) 3.859 13.497 ( 5.189 -15.942 6.134) 17.852 13.915 ( -14.570 -15.206 -0.373) 21.063 14.780 ( 7.912 14.370 1.919) 16.516 15.053 ( -8.557 12.229 -4.637) 15.630 15.748 ( 1.897 10.615 19.153) 21.980 17.588 ( 8.814 2.303 -26.683) 28.196 ======================= Grid point 755 (232/279) ======================= q-point: (-0.10 0.10 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 470 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.472 ( -0.000 0.846 6.540) 6.595 4.946 ( 0.000 -4.466 10.749) 11.640 6.034 ( 0.000 -8.147 7.086) 10.798 7.216 ( -0.000 2.312 20.954) 21.081 8.180 ( 0.000 -10.035 32.166) 33.695 8.367 ( 0.000 -7.543 15.986) 17.677 9.676 ( 0.000 -8.557 -7.801) 11.579 9.870 ( 0.000 -11.110 -24.498) 26.900 10.241 ( 0.000 -8.985 -5.580) 10.577 10.646 ( -0.000 2.855 -1.700) 3.323 10.812 ( -0.000 0.839 -9.397) 9.434 10.956 ( -0.000 4.909 16.356) 17.077 11.204 ( -0.000 5.375 0.433) 5.393 12.136 ( 0.000 -20.614 19.931) 28.673 12.198 ( -0.000 6.866 13.142) 14.828 12.393 ( -0.000 11.851 10.427) 15.785 12.689 ( -0.000 15.024 6.929) 16.545 13.339 ( 0.000 -27.814 -13.052) 30.724 13.772 ( 0.000 -16.168 9.645) 18.827 13.905 ( 0.000 -14.692 4.555) 15.382 14.751 ( -0.000 13.723 -4.568) 14.463 14.765 ( -0.000 13.432 -7.195) 15.237 15.632 ( -0.000 11.383 23.283) 25.917 17.631 ( -0.000 3.005 -27.969) 28.130 ======================= Grid point 758 (233/279) ======================= q-point: ( 0.20 0.20 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 471 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.663 ( 2.869 0.000 1.386) 3.187 4.841 ( -3.523 -0.000 5.815) 6.799 5.770 ( -7.657 -0.000 5.555) 9.460 7.860 ( 4.493 0.000 21.543) 22.007 7.954 ( -6.450 -0.000 24.370) 25.209 8.955 ( 11.040 0.000 -5.547) 12.355 9.175 ( -14.451 -0.000 -11.445) 18.434 9.725 ( -8.223 -0.000 -9.446) 12.524 10.007 ( -22.951 -0.000 -5.198) 23.533 10.743 ( -16.918 -0.000 19.200) 25.590 11.143 ( -17.208 -0.000 12.551) 21.299 11.328 ( 2.313 0.000 23.374) 23.488 11.427 ( 27.058 0.000 -0.364) 27.060 11.985 ( 23.191 0.000 -3.590) 23.468 12.233 ( 16.862 0.000 12.119) 20.766 12.520 ( 8.265 0.000 7.064) 10.872 12.565 ( 5.593 0.000 12.823) 13.990 13.309 ( -25.951 -0.000 -10.560) 28.017 13.394 ( -18.243 -0.000 -11.472) 21.551 13.614 ( -11.527 -0.000 -13.060) 17.420 15.082 ( 0.848 0.000 21.110) 21.127 15.301 ( 20.085 0.000 -2.659) 20.260 15.731 ( 18.100 0.000 1.011) 18.128 16.583 ( -22.263 -0.000 -18.769) 29.119 ======================= Grid point 759 (234/279) ======================= q-point: ( 0.30 0.20 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.690 ( 0.814 0.949 -0.329) 1.293 4.797 ( -2.584 -1.680 4.355) 5.335 5.626 ( -7.356 2.399 5.589) 9.544 7.778 ( -0.861 6.252 16.658) 17.814 8.010 ( -3.479 -12.581 23.549) 26.925 8.732 ( -13.468 20.198 -12.509) 27.309 9.095 ( -13.647 -5.926 -6.882) 16.392 9.595 ( 0.057 2.267 -2.699) 3.525 9.828 ( -8.550 -13.695 -5.150) 16.947 10.453 ( -19.914 -6.413 14.143) 25.253 10.910 ( -14.723 -6.892 10.559) 19.385 11.404 ( 3.687 -1.703 19.804) 20.216 11.844 ( 20.332 -0.819 -1.391) 20.396 12.304 ( 14.532 3.994 -1.607) 15.156 12.375 ( 3.354 4.569 14.402) 15.477 12.505 ( -14.369 4.701 1.793) 15.224 12.655 ( -2.734 -1.468 5.073) 5.947 12.932 ( -1.607 8.927 2.766) 9.483 13.125 ( -7.474 -1.720 -5.711) 9.562 13.456 ( -3.467 4.539 -11.908) 13.207 15.104 ( 0.531 -1.694 18.870) 18.953 15.591 ( 18.382 6.054 -3.112) 19.601 16.094 ( 18.717 -7.380 -6.787) 21.234 16.249 ( -19.036 -2.826 -13.140) 23.303 ======================= Grid point 760 (235/279) ======================= q-point: ( 0.40 0.20 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 852 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.677 ( -0.663 0.845 -2.451) 2.676 4.785 ( -2.330 -2.496 3.750) 5.072 5.490 ( -5.415 1.520 6.641) 8.703 7.767 ( 3.565 -0.900 7.781) 8.606 8.074 ( -6.679 -12.300 24.535) 28.246 8.272 ( -12.352 17.662 -7.068) 22.682 8.739 ( -25.566 2.121 3.906) 25.950 9.677 ( -13.103 -25.274 -19.364) 34.430 9.946 ( 15.555 4.457 3.524) 16.560 10.274 ( -15.299 -14.224 10.846) 23.538 10.826 ( -10.661 -14.541 8.495) 19.931 11.454 ( -0.855 -1.219 14.028) 14.107 11.812 ( -29.636 4.719 -10.525) 31.802 12.236 ( -5.213 -0.616 -1.200) 5.385 12.291 ( -3.491 1.546 -1.266) 4.022 12.380 ( -7.688 5.928 -1.261) 9.790 12.483 ( 4.819 4.690 4.949) 8.350 12.929 ( 11.901 15.675 20.831) 28.658 13.268 ( 11.310 -3.657 0.072) 11.887 13.453 ( 11.080 4.941 1.006) 12.173 15.129 ( 1.474 0.588 16.300) 16.377 15.763 ( 12.287 9.696 -3.698) 16.083 16.002 ( -13.038 -3.275 -8.404) 15.854 16.526 ( 18.956 -10.269 -12.283) 24.813 ======================= Grid point 761 (236/279) ======================= q-point: (-0.50 0.20 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.647 ( -2.011 0.802 -3.257) 3.911 4.771 ( -2.566 -2.266 4.751) 5.856 5.434 ( -1.679 -2.851 6.833) 7.592 7.811 ( -3.280 7.753 3.510) 9.121 8.036 ( 3.521 -5.673 1.576) 6.860 8.092 ( -10.164 -12.778 17.639) 24.036 8.286 ( -22.566 3.323 12.311) 25.919 9.705 ( -17.889 -24.307 -19.259) 35.801 10.173 ( 7.735 -5.864 5.338) 11.077 10.293 ( -1.948 -13.018 2.724) 13.442 10.868 ( -7.961 -16.588 5.724) 19.269 11.184 ( -31.569 0.096 -9.511) 32.971 11.435 ( -4.894 2.459 5.803) 7.980 11.842 ( -31.285 -11.156 -19.387) 38.459 12.282 ( 5.950 11.777 6.977) 14.926 12.365 ( 7.646 7.935 4.169) 11.782 12.598 ( 7.078 -4.214 7.854) 11.382 12.887 ( 10.138 22.118 30.576) 39.075 13.448 ( -0.934 -12.493 -13.023) 18.071 13.653 ( 21.012 12.386 15.965) 29.151 15.134 ( 2.867 4.832 13.942) 15.031 15.708 ( -5.876 5.842 -9.077) 12.290 15.945 ( 4.263 3.529 3.552) 6.576 16.955 ( 17.670 -9.539 -18.296) 27.165 ======================= Grid point 762 (237/279) ======================= q-point: (-0.40 0.20 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 852 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.590 ( -3.137 1.094 -0.810) 3.419 4.762 ( -1.692 -2.504 6.765) 7.409 5.499 ( 1.520 -7.707 5.154) 9.395 7.628 ( -5.938 6.226 13.457) 15.972 7.879 ( -17.549 -1.385 13.045) 21.911 8.084 ( -9.814 -12.046 23.630) 28.281 8.392 ( 15.814 -15.792 -9.481) 24.277 9.670 ( -18.107 -21.072 -17.920) 33.061 10.223 ( -18.915 -12.777 2.579) 22.971 10.456 ( 10.252 -1.810 -6.666) 12.362 10.832 ( -16.817 -8.651 -7.714) 20.424 10.908 ( -6.500 -15.337 1.215) 16.701 11.305 ( -5.694 5.004 3.296) 8.266 11.648 ( -15.712 -27.013 -16.092) 35.150 12.272 ( 7.150 9.020 9.274) 14.782 12.401 ( 7.878 9.388 8.578) 14.959 12.653 ( 7.483 19.765 29.974) 36.676 12.872 ( 5.222 -4.499 12.025) 13.861 13.528 ( -7.810 -12.715 -11.050) 18.568 13.788 ( 15.219 17.313 13.586) 26.757 15.114 ( 4.603 8.905 10.264) 14.347 15.517 ( -7.496 6.606 -6.262) 11.792 15.969 ( 4.544 5.832 8.121) 10.982 17.324 ( 14.122 -7.122 -22.466) 27.475 ======================= Grid point 763 (238/279) ======================= q-point: (-0.30 0.20 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.530 ( -2.225 1.104 2.457) 3.494 4.778 ( -0.612 -3.678 9.115) 9.848 5.644 ( 2.129 -10.541 3.853) 11.423 7.428 ( -8.774 4.695 18.260) 20.796 7.778 ( -1.508 -7.070 24.230) 25.285 8.073 ( -8.235 -12.304 18.847) 23.967 8.908 ( 19.588 -19.561 -16.277) 32.113 9.592 ( -19.674 -18.673 -18.242) 32.688 10.015 ( -13.647 -7.197 -5.200) 16.281 10.631 ( -1.906 -3.889 -9.099) 10.077 10.666 ( -3.204 -4.986 -9.968) 11.597 11.087 ( -1.225 -5.583 7.133) 9.140 11.187 ( -3.150 -13.481 0.571) 13.856 11.890 ( -3.314 -35.091 -10.051) 36.652 12.200 ( 2.222 23.330 25.473) 34.614 12.383 ( 6.986 8.640 11.152) 15.742 12.598 ( 6.784 7.575 25.134) 27.113 13.082 ( 6.833 -12.470 3.378) 14.615 13.479 ( -11.190 -6.121 -6.082) 14.130 13.748 ( 4.653 16.698 8.604) 19.352 15.084 ( 6.221 11.133 4.760) 13.613 15.304 ( -7.006 9.092 -3.306) 11.945 15.953 ( 2.368 6.915 12.827) 14.763 17.578 ( 8.062 -3.904 -25.228) 26.771 ======================= Grid point 764 (239/279) ======================= q-point: (-0.20 0.20 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 471 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.497 ( -0.000 1.142 4.489) 4.632 4.826 ( 0.000 -4.943 10.616) 11.711 5.796 ( 0.000 -11.188 4.230) 11.961 7.294 ( -0.000 4.178 20.008) 20.440 7.901 ( 0.000 -11.749 32.304) 34.375 8.132 ( 0.000 -11.546 14.711) 18.700 9.424 ( 0.000 -13.686 -13.762) 19.409 9.504 ( 0.000 -19.776 -24.114) 31.186 10.004 ( 0.000 -9.594 -4.123) 10.443 10.593 ( 0.000 -4.133 -14.307) 14.892 10.777 ( 0.000 -6.591 -10.549) 12.439 10.972 ( -0.000 9.173 3.422) 9.790 11.484 ( 0.000 -26.166 11.299) 28.501 11.862 ( -0.000 28.175 32.875) 43.297 12.291 ( 0.000 -27.736 -2.618) 27.860 12.372 ( -0.000 7.042 10.090) 12.304 12.652 ( 0.000 -8.152 14.518) 16.650 13.279 ( -0.000 14.852 -4.234) 15.444 13.390 ( 0.000 -15.289 4.667) 15.985 13.634 ( 0.000 -0.450 4.908) 4.928 15.057 ( -0.000 11.571 0.204) 11.573 15.068 ( -0.000 11.845 -2.334) 12.073 15.881 ( -0.000 8.729 16.877) 19.000 17.674 ( 0.000 -0.520 -26.668) 26.673 ======================= Grid point 769 (240/279) ======================= q-point: ( 0.30 0.30 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 470 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.697 ( -0.986 -0.000 -1.049) 1.440 4.743 ( -2.088 -0.000 2.896) 3.571 5.514 ( -7.362 -0.000 5.676) 9.296 7.795 ( -2.945 -0.000 16.242) 16.507 7.877 ( -1.167 -0.000 16.990) 17.030 8.599 ( -19.893 -0.000 -1.279) 19.934 8.807 ( -14.836 -0.000 -12.318) 19.283 9.213 ( -22.105 -0.000 -8.728) 23.766 9.981 ( 4.226 0.000 8.724) 9.694 10.135 ( -2.837 -0.000 4.600) 5.405 10.637 ( -12.311 -0.000 8.532) 14.978 11.439 ( 0.577 0.000 13.228) 13.240 11.876 ( -27.602 -0.000 -13.604) 30.772 12.198 ( -30.690 -0.000 -8.616) 31.876 12.263 ( 5.564 0.000 -0.221) 5.569 12.501 ( 0.514 0.000 9.575) 9.589 12.586 ( 9.643 0.000 0.336) 9.649 13.159 ( 1.307 0.000 -1.473) 1.970 13.178 ( 17.113 0.000 17.673) 24.601 13.508 ( 10.290 0.000 12.418) 16.127 15.136 ( 3.934 0.000 15.267) 15.766 15.945 ( 17.743 0.000 -10.019) 20.376 15.948 ( -14.094 -0.000 -10.492) 17.570 16.342 ( 16.611 0.000 -6.752) 17.930 ======================= Grid point 770 (241/279) ======================= q-point: (-0.60 0.30 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.662 ( -2.378 0.462 -2.305) 3.344 4.725 ( -1.560 -1.344 2.371) 3.140 5.401 ( -5.639 -0.385 6.384) 8.526 7.776 ( -1.283 -3.859 8.791) 9.686 7.886 ( -1.936 -4.228 14.886) 15.596 8.222 ( -15.898 8.851 4.039) 18.639 8.426 ( -17.553 12.264 0.183) 21.414 9.076 ( -17.786 -25.438 -12.739) 33.552 9.837 ( -13.392 -9.343 8.974) 18.632 10.336 ( 13.708 4.789 -0.798) 14.543 10.536 ( -4.830 -10.184 4.915) 12.296 11.202 ( -34.910 0.742 -11.257) 36.688 11.486 ( -4.730 1.655 1.317) 5.181 11.660 ( -34.100 -4.278 -15.890) 37.863 12.422 ( 8.523 -1.087 1.511) 8.724 12.510 ( 3.564 4.744 8.603) 10.451 12.642 ( 2.948 6.998 3.680) 8.438 13.159 ( -4.123 -8.455 -7.884) 12.273 13.380 ( 14.783 14.127 26.510) 33.480 13.775 ( 18.021 -1.282 27.038) 32.519 15.211 ( 5.539 1.626 12.160) 13.461 15.760 ( -9.119 -0.179 -6.401) 11.143 16.142 ( 13.493 10.701 -9.689) 19.759 16.680 ( 14.896 -11.518 -13.641) 23.251 ======================= Grid point 771 (242/279) ======================= q-point: (-0.50 0.30 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.609 ( -3.304 0.399 -2.141) 3.958 4.718 ( -1.070 -1.196 3.127) 3.515 5.358 ( -2.289 -4.079 5.981) 7.593 7.740 ( -12.213 -5.076 7.882) 15.396 7.897 ( -5.976 11.105 2.275) 12.815 7.917 ( -7.419 -3.100 20.490) 22.011 8.155 ( 2.362 -2.360 3.276) 4.678 9.093 ( -17.810 -26.063 -13.965) 34.518 9.820 ( -8.389 -16.894 5.387) 19.617 10.402 ( -4.155 -2.860 -3.289) 6.022 10.620 ( -15.941 -10.026 -6.675) 19.980 10.735 ( -1.609 -0.321 -7.315) 7.497 11.197 ( -27.331 -10.154 -17.719) 34.118 11.410 ( -3.953 3.191 2.163) 5.521 12.488 ( 3.644 8.065 5.271) 10.301 12.553 ( 6.465 3.693 3.020) 8.034 12.633 ( 3.204 -2.688 6.632) 7.841 13.202 ( -7.053 -12.707 -7.174) 16.208 13.349 ( 9.417 24.236 35.187) 43.752 14.057 ( 15.262 3.109 26.270) 30.540 15.271 ( 5.712 4.355 9.535) 11.938 15.624 ( -6.309 2.167 -3.711) 7.634 16.176 ( 7.985 12.666 -5.812) 16.062 17.067 ( 12.243 -13.943 -19.649) 27.026 ======================= Grid point 772 (243/279) ======================= q-point: (-0.40 0.30 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.552 ( -2.435 0.667 0.060) 2.526 4.718 ( -0.622 -1.448 5.164) 5.399 5.417 ( 0.175 -8.234 4.175) 9.233 7.533 ( -10.595 2.323 13.030) 16.954 7.721 ( -2.742 3.575 17.521) 18.091 7.843 ( -5.757 -5.255 16.960) 18.666 8.472 ( 15.880 -16.458 -9.054) 24.597 9.080 ( -18.671 -23.192 -14.508) 33.120 9.838 ( -10.065 -8.738 -4.821) 14.174 10.346 ( -7.031 -19.140 -1.723) 20.463 10.535 ( -7.728 -5.526 -9.815) 13.660 10.821 ( 4.200 -1.750 -9.744) 10.754 11.107 ( -8.308 -26.142 -10.634) 29.420 11.293 ( -3.473 5.621 2.423) 7.038 12.462 ( 4.061 6.409 8.100) 11.099 12.564 ( 1.501 4.456 7.656) 8.984 12.811 ( 8.975 -7.678 2.002) 11.980 13.145 ( 4.196 28.413 39.894) 49.157 13.201 ( -10.975 -12.333 -5.557) 17.419 14.174 ( 8.445 11.731 21.094) 25.571 15.298 ( 5.369 6.732 6.203) 10.612 15.483 ( -5.281 5.742 -1.678) 7.980 16.132 ( 3.354 10.141 0.291) 10.685 17.388 ( 7.129 -12.051 -23.175) 27.076 ======================= Grid point 773 (244/279) ======================= q-point: (-0.30 0.30 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 470 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.521 ( -0.000 0.844 1.981) 2.153 4.736 ( 0.000 -2.518 7.642) 8.047 5.535 ( 0.000 -10.408 3.167) 10.879 7.400 ( -0.000 4.224 17.031) 17.547 7.706 ( 0.000 -3.375 27.530) 27.736 7.872 ( 0.000 -9.126 12.572) 15.535 8.980 ( 0.000 -23.095 -17.818) 29.169 9.036 ( 0.000 -18.274 -13.797) 22.898 9.815 ( 0.000 -6.477 -7.731) 10.085 10.501 ( 0.000 -3.465 -14.095) 14.515 10.566 ( 0.000 -19.389 4.611) 19.930 10.930 ( 0.000 -10.737 -10.086) 14.732 11.177 ( -0.000 7.706 3.456) 8.446 11.423 ( 0.000 -35.689 -9.418) 36.911 12.429 ( -0.000 9.773 15.130) 18.012 12.514 ( -0.000 4.913 7.838) 9.250 12.845 ( -0.000 24.964 39.692) 46.890 13.071 ( 0.000 -11.495 1.761) 11.629 13.174 ( 0.000 -10.716 -5.279) 11.946 14.054 ( -0.000 20.114 13.886) 24.441 15.286 ( -0.000 7.723 2.967) 8.273 15.319 ( -0.000 9.262 -0.468) 9.274 16.056 ( -0.000 7.425 7.479) 10.539 17.572 ( 0.000 -8.379 -24.945) 26.315 ======================= Grid point 780 (245/279) ======================= q-point: ( 0.40 -0.60 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 471 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.612 ( -3.397 -0.000 -1.794) 3.842 4.704 ( -0.384 -0.000 0.731) 0.826 5.310 ( -4.327 -0.000 6.468) 7.782 7.657 ( -9.277 -0.000 5.104) 10.588 7.859 ( 0.312 0.000 11.173) 11.177 8.057 ( -5.450 -0.000 12.647) 13.772 8.329 ( -12.067 -0.000 -1.131) 12.119 8.595 ( -15.180 -0.000 -7.282) 16.836 9.599 ( -7.274 -0.000 3.128) 7.918 10.353 ( -4.174 -0.000 1.914) 4.592 10.493 ( -20.749 -0.000 -13.947) 25.001 10.744 ( -0.560 -0.000 -7.120) 7.142 11.092 ( -29.465 -0.000 -16.494) 33.767 11.449 ( -2.841 -0.000 1.976) 3.461 12.528 ( 5.480 0.000 2.569) 6.053 12.594 ( 3.922 0.000 5.530) 6.780 12.718 ( -0.096 -0.000 3.477) 3.478 12.988 ( -6.958 -0.000 -6.544) 9.552 13.738 ( 13.324 0.000 29.378) 32.258 14.001 ( 12.309 0.000 37.768) 39.723 15.322 ( 5.999 0.000 9.246) 11.022 15.642 ( -5.278 -0.000 -1.431) 5.468 16.442 ( 11.140 0.000 -17.112) 20.419 16.793 ( 9.781 0.000 -14.597) 17.571 ======================= Grid point 782 (246/279) ======================= q-point: (-0.50 0.40 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.560 ( -2.433 0.137 -1.157) 2.697 4.702 ( -0.139 -0.173 0.818) 0.848 5.276 ( -1.769 -3.297 5.832) 6.929 7.502 ( -9.026 -2.164 8.310) 12.458 7.845 ( -1.340 3.163 11.179) 11.695 7.970 ( -4.138 14.457 7.912) 16.992 8.169 ( 5.389 -7.416 3.201) 9.710 8.539 ( -13.798 -21.275 -5.700) 25.990 9.604 ( 1.166 -7.913 -3.476) 8.722 10.060 ( -23.042 -4.713 -14.917) 27.851 10.370 ( 0.597 -6.403 -4.338) 7.757 10.701 ( -19.245 -5.016 -14.501) 24.613 10.870 ( 7.166 0.189 -5.764) 9.198 11.388 ( -2.762 2.113 2.072) 4.048 12.590 ( 2.073 2.631 3.077) 4.548 12.656 ( 0.183 4.545 3.617) 5.811 12.685 ( 5.865 -2.056 3.010) 6.905 12.938 ( -7.416 -8.955 -3.824) 12.240 13.760 ( 6.227 20.652 36.226) 42.162 14.224 ( 7.268 -6.285 35.786) 37.053 15.401 ( 4.855 2.121 6.961) 8.748 15.563 ( -3.814 1.329 1.495) 4.307 16.464 ( 5.152 15.742 -15.043) 22.376 17.040 ( 5.853 -15.489 -19.443) 25.538 ======================= Grid point 783 (247/279) ======================= q-point: (-0.40 0.40 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 471 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.536 ( -0.000 0.377 -0.131) 0.399 4.703 ( 0.000 -0.444 2.697) 2.733 5.325 ( 0.000 -6.850 4.532) 8.213 7.442 ( 0.000 -1.232 11.500) 11.566 7.779 ( -0.000 9.667 18.988) 21.308 7.783 ( -0.000 2.560 9.634) 9.968 8.473 ( 0.000 -18.629 -8.700) 20.561 8.591 ( 0.000 -19.206 -5.566) 19.996 9.696 ( 0.000 -3.507 -10.550) 11.118 10.009 ( 0.000 -20.929 -5.170) 21.558 10.436 ( 0.000 -1.953 -13.740) 13.878 10.671 ( 0.000 -18.770 -7.502) 20.214 10.937 ( 0.000 -1.431 -7.532) 7.667 11.322 ( -0.000 4.335 2.842) 5.184 12.555 ( -0.000 4.448 5.736) 7.259 12.611 ( -0.000 3.563 5.950) 6.936 12.849 ( 0.000 -7.313 0.344) 7.321 12.935 ( 0.000 -8.992 -3.555) 9.669 13.520 ( -0.000 27.340 39.995) 48.446 14.323 ( -0.000 1.403 29.696) 29.729 15.421 ( -0.000 3.785 4.754) 6.077 15.484 ( -0.000 4.230 2.457) 4.892 16.314 ( -0.000 15.209 -8.907) 17.625 17.282 ( 0.000 -15.643 -22.356) 27.285 ======================= Grid point 793 (248/279) ======================= q-point: (-0.50 0.50 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.540 ( 0.000 -0.000 -0.990) 0.990 4.701 ( 0.000 -0.000 -0.179) 0.179 5.238 ( 0.000 -0.000 5.983) 5.983 7.412 ( 0.000 -0.000 9.467) 9.467 7.878 ( -0.000 0.000 3.247) 3.247 8.094 ( 0.000 -0.000 10.534) 10.534 8.170 ( -0.000 0.000 4.178) 4.178 8.197 ( 0.000 -0.000 -0.123) 0.123 9.654 ( 0.000 -0.000 -11.544) 11.544 9.740 ( 0.000 -0.000 -11.137) 11.137 10.412 ( 0.000 -0.000 -13.637) 13.637 10.432 ( 0.000 -0.000 -5.961) 5.961 10.938 ( 0.000 -0.000 -6.615) 6.615 11.375 ( 0.000 -0.000 2.562) 2.562 12.641 ( -0.000 0.000 -0.163) 0.163 12.680 ( 0.000 -0.000 6.593) 6.593 12.735 ( -0.000 0.000 -1.480) 1.480 12.793 ( 0.000 -0.000 0.061) 0.061 13.971 ( -0.000 0.000 32.980) 32.980 14.212 ( 0.000 -0.000 42.487) 42.487 15.466 ( 0.000 -0.000 5.400) 5.400 15.529 ( 0.000 -0.000 3.996) 3.996 16.637 ( 0.000 -0.000 -19.747) 19.747 16.963 ( -0.000 0.000 -17.771) 17.771 ======================= Grid point 840 (249/279) ======================= q-point: ( 0.00 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 279 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.550 ( 0.000 0.000 2.037) 2.037 5.139 ( 0.000 0.000 3.460) 3.460 6.253 ( 0.000 0.000 2.911) 2.911 7.504 ( 0.000 0.000 9.136) 9.136 8.749 ( 0.000 0.000 12.601) 12.601 8.850 ( 0.000 0.000 23.739) 23.739 9.422 ( 0.000 0.000 -30.834) 30.834 9.791 ( 0.000 0.000 2.147) 2.147 10.327 ( 0.000 0.000 3.531) 3.531 10.541 ( 0.000 0.000 -11.453) 11.453 10.718 ( 0.000 0.000 4.355) 4.355 10.884 ( 0.000 0.000 -18.069) 18.069 11.408 ( 0.000 0.000 31.464) 31.464 11.894 ( 0.000 0.000 -17.179) 17.179 12.325 ( 0.000 0.000 6.260) 6.260 12.858 ( 0.000 0.000 18.096) 18.096 12.959 ( 0.000 0.000 16.628) 16.628 13.335 ( 0.000 0.000 -18.871) 18.871 14.177 ( 0.000 0.000 -13.430) 13.430 14.285 ( 0.000 0.000 6.451) 6.451 14.317 ( 0.000 0.000 -5.797) 5.797 14.363 ( 0.000 0.000 5.520) 5.520 16.032 ( 0.000 0.000 24.446) 24.446 17.044 ( 0.000 0.000 -23.066) 23.066 ======================= Grid point 841 (250/279) ======================= q-point: ( 0.10 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.562 ( 1.444 -0.000 1.774) 2.287 5.108 ( -2.020 2.046 3.373) 4.432 6.179 ( -4.464 5.321 2.658) 7.437 7.595 ( 9.637 -0.996 8.997) 13.222 8.686 ( -4.703 5.763 15.845) 17.504 8.884 ( 4.259 0.462 21.502) 21.924 9.365 ( -3.123 10.801 -25.593) 27.954 9.650 ( -5.632 2.428 -7.308) 9.540 10.362 ( 7.719 4.526 2.378) 9.259 10.604 ( 9.688 2.777 -7.838) 12.767 10.704 ( -5.399 4.135 -3.481) 7.640 10.976 ( 17.503 3.070 -7.464) 19.274 11.541 ( 2.858 -16.204 29.977) 34.196 12.015 ( 0.699 -15.876 -15.670) 22.318 12.244 ( -10.912 -3.667 5.514) 12.764 12.697 ( -9.880 13.095 16.674) 23.391 12.849 ( -7.225 2.680 11.950) 14.219 13.259 ( -2.036 10.315 -15.395) 18.643 13.961 ( -5.660 15.929 -2.026) 17.025 14.150 ( 0.632 14.359 -8.720) 16.811 14.524 ( 7.046 -12.895 7.913) 16.689 14.635 ( 11.423 -15.239 -2.879) 19.261 16.026 ( -3.871 -4.468 23.044) 23.790 16.996 ( -7.688 -2.921 -22.247) 23.719 ======================= Grid point 842 (251/279) ======================= q-point: ( 0.20 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 852 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.593 ( 2.134 0.281 1.070) 2.403 5.035 ( -2.865 2.785 3.040) 5.020 6.004 ( -6.118 8.087 2.243) 10.386 7.821 ( 14.272 -1.289 9.557) 17.225 8.482 ( -5.593 11.600 17.438) 21.677 8.820 ( -9.164 11.116 -8.331) 16.642 9.180 ( 2.594 6.579 15.271) 16.828 9.657 ( 1.892 -3.506 -22.465) 22.816 10.448 ( -4.987 6.280 -4.838) 9.366 10.537 ( 12.553 6.012 -0.694) 13.936 10.855 ( 20.565 1.064 -6.220) 21.511 11.256 ( 18.825 3.832 1.309) 19.256 11.810 ( 0.622 -17.568 21.876) 28.064 12.034 ( -15.759 -7.640 5.030) 18.221 12.209 ( -7.701 -9.905 3.330) 12.981 12.419 ( -0.845 4.909 3.404) 6.033 12.678 ( -3.786 8.128 5.354) 10.443 13.036 ( -4.308 17.222 -11.502) 21.152 13.651 ( -10.291 14.540 1.624) 17.887 13.937 ( -8.864 10.355 -11.752) 17.997 14.822 ( 11.501 -9.871 8.746) 17.499 15.014 ( 15.001 -10.100 -2.762) 18.294 16.004 ( -6.650 -6.637 19.220) 21.394 16.861 ( -13.538 -4.728 -19.898) 24.526 ======================= Grid point 843 (252/279) ======================= q-point: ( 0.30 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.618 ( 1.482 0.913 0.075) 1.742 4.964 ( -1.910 1.797 2.449) 3.588 5.809 ( -5.366 7.702 2.246) 9.651 7.975 ( 1.157 5.065 16.324) 17.131 8.306 ( -1.196 11.103 -6.910) 13.132 8.539 ( 1.811 7.983 -3.669) 8.970 9.208 ( 3.733 2.148 27.711) 28.044 9.713 ( -2.071 -4.317 -18.267) 18.884 10.175 ( -13.207 6.662 -11.458) 18.711 10.878 ( 29.085 2.749 -0.667) 29.222 11.247 ( 24.372 -1.198 -3.056) 24.592 11.470 ( 4.476 -1.725 6.927) 8.426 11.768 ( -3.668 3.782 8.217) 9.761 11.901 ( -13.458 -11.027 3.339) 17.716 12.317 ( 1.678 3.967 12.762) 13.470 12.345 ( 8.327 3.893 16.553) 18.934 12.655 ( 3.976 6.345 -12.726) 14.765 12.773 ( -8.203 -0.089 -7.002) 10.786 13.263 ( -17.820 11.380 3.378) 21.412 13.608 ( -17.515 7.727 -13.417) 23.377 15.120 ( 12.275 -6.344 8.518) 16.233 15.352 ( 13.755 -5.547 -1.605) 14.917 15.962 ( -7.117 -6.046 12.673) 15.742 16.665 ( -16.290 -4.877 -16.060) 23.390 ======================= Grid point 844 (253/279) ======================= q-point: ( 0.40 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 852 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.619 ( 0.287 1.018 -0.969) 1.434 4.933 ( -0.363 0.436 1.884) 1.968 5.662 ( -3.094 4.649 2.729) 6.215 7.831 ( -4.486 6.926 7.113) 10.894 8.090 ( -5.707 7.785 -7.800) 12.411 8.773 ( 20.605 -1.787 3.756) 21.020 9.229 ( 2.683 3.551 27.715) 28.070 9.633 ( -15.977 -4.968 -2.648) 16.940 9.929 ( -4.152 6.119 -25.158) 26.222 11.335 ( 9.294 3.215 5.877) 11.456 11.392 ( 9.157 -3.443 -0.185) 9.784 11.648 ( 12.921 -8.342 4.046) 15.903 11.826 ( -7.068 -13.278 4.807) 15.791 11.921 ( 16.382 6.038 5.650) 18.351 12.126 ( 2.949 18.287 11.964) 22.051 12.486 ( 12.431 18.918 -16.888) 28.242 12.628 ( 5.848 -6.109 11.519) 14.290 12.775 ( -17.622 4.288 3.841) 18.538 12.839 ( -11.680 -9.809 -0.440) 15.259 13.180 ( -24.400 4.605 -15.267) 29.148 15.372 ( 11.137 -2.650 8.573) 14.302 15.571 ( 4.872 -2.714 5.377) 7.747 15.936 ( -1.075 -3.074 -2.289) 3.980 16.449 ( -14.565 -3.412 -9.981) 17.984 ======================= Grid point 845 (254/279) ======================= q-point: (-0.50 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 442 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.614 ( 0.000 -0.000 -1.458) 1.458 4.930 ( 0.000 -0.000 1.657) 1.657 5.607 ( 0.000 -0.000 3.053) 3.053 7.745 ( -0.000 -0.000 -0.864) 0.864 7.994 ( 0.000 -0.000 -0.328) 0.328 9.063 ( 0.000 0.000 -0.360) 0.360 9.202 ( 0.000 -0.000 31.652) 31.652 9.438 ( 0.000 -0.000 0.641) 0.641 9.874 ( 0.000 -0.000 -28.228) 28.228 11.275 ( 0.000 -0.000 6.961) 6.961 11.626 ( 0.000 -0.000 1.201) 1.201 11.817 ( -0.000 -0.000 8.897) 8.897 11.907 ( 0.000 0.000 4.109) 4.109 11.946 ( 0.000 0.000 1.995) 1.995 12.205 ( -0.000 -0.000 10.214) 10.214 12.333 ( 0.000 -0.000 7.367) 7.367 12.692 ( -0.000 -0.000 -14.936) 14.936 12.721 ( 0.000 -0.000 -17.802) 17.802 12.791 ( -0.000 0.000 0.179) 0.179 12.830 ( 0.000 -0.000 7.178) 7.178 15.525 ( -0.000 -0.000 3.316) 3.316 15.575 ( 0.000 -0.000 18.410) 18.410 15.978 ( 0.000 -0.000 -17.929) 17.929 16.321 ( -0.000 -0.000 -2.917) 2.917 ======================= Grid point 852 (255/279) ======================= q-point: ( 0.10 0.10 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 470 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.596 ( 2.434 0.000 1.329) 2.773 5.070 ( -3.820 -0.000 2.955) 4.830 6.109 ( -7.211 -0.000 2.496) 7.631 7.805 ( 15.316 0.000 9.107) 17.819 8.644 ( -5.986 -0.000 15.191) 16.327 8.916 ( -0.283 -0.000 18.853) 18.856 9.412 ( -15.331 -0.000 -6.692) 16.728 9.470 ( 2.329 0.000 -27.029) 27.129 10.562 ( -13.999 -0.000 -2.859) 14.288 10.593 ( 17.225 0.000 2.070) 17.349 10.869 ( 18.461 0.000 -6.699) 19.639 11.407 ( 28.074 0.000 -2.412) 28.178 11.491 ( 1.554 0.000 22.447) 22.501 11.972 ( -17.315 -0.000 5.212) 18.083 11.978 ( 5.067 0.000 -4.589) 6.837 12.441 ( -18.523 -0.000 6.955) 19.786 12.849 ( -0.810 -0.000 17.270) 17.289 13.295 ( -2.440 -0.000 -18.071) 18.235 13.879 ( -15.801 -0.000 -5.995) 16.900 14.058 ( -14.639 -0.000 -3.450) 15.040 14.699 ( 16.192 0.000 2.104) 16.328 14.851 ( 22.669 0.000 2.632) 22.821 15.910 ( -6.422 -0.000 21.528) 22.466 16.793 ( -13.948 -0.000 -20.917) 25.141 ======================= Grid point 853 (256/279) ======================= q-point: ( 0.20 0.10 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.636 ( 2.369 0.476 0.643) 2.501 4.993 ( -4.330 0.645 2.459) 5.022 5.957 ( -7.727 3.769 2.162) 8.865 8.057 ( 12.762 1.815 11.899) 17.543 8.506 ( -4.422 3.644 15.660) 16.675 8.787 ( -9.895 11.480 -6.240) 16.390 9.184 ( -6.225 -2.611 5.242) 8.546 9.556 ( -0.893 -7.109 -17.697) 19.092 10.268 ( -18.420 1.435 -4.717) 19.068 10.947 ( 25.939 2.182 0.846) 26.044 11.184 ( 14.094 -2.268 -0.523) 14.285 11.454 ( -2.912 0.118 7.246) 7.810 11.673 ( -17.236 -4.435 6.884) 19.082 11.890 ( 18.797 4.323 1.620) 19.356 12.072 ( 6.669 -7.469 19.829) 22.214 12.369 ( 6.702 -7.454 -9.662) 13.923 12.774 ( -0.970 9.592 15.317) 18.098 13.173 ( -3.213 11.590 -16.152) 20.138 13.506 ( -22.256 7.060 -3.955) 23.682 13.741 ( -20.888 2.900 -6.785) 22.153 15.003 ( 17.053 -2.795 2.840) 17.513 15.235 ( 18.725 -3.361 3.437) 19.332 15.825 ( -6.222 -4.072 15.840) 17.498 16.550 ( -16.995 -3.466 -17.790) 24.846 ======================= Grid point 854 (257/279) ======================= q-point: ( 0.30 0.10 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.653 ( 0.873 1.562 -0.202) 1.800 4.928 ( -3.054 -0.665 1.937) 3.677 5.782 ( -6.625 4.706 2.217) 8.423 8.044 ( -3.355 10.193 17.083) 20.174 8.386 ( -8.019 16.652 -15.730) 24.270 8.617 ( 4.338 -10.291 11.420) 15.973 9.200 ( -1.521 -7.272 7.610) 10.635 9.562 ( -5.154 -0.653 -5.671) 7.691 9.966 ( -16.312 -2.288 -11.601) 20.147 11.159 ( -19.288 -9.819 8.753) 23.347 11.327 ( 11.333 -1.116 0.975) 11.430 11.540 ( 0.850 -9.240 4.240) 10.201 11.573 ( 11.193 -1.161 0.955) 11.294 12.051 ( 15.341 4.124 7.130) 17.412 12.438 ( 15.978 -0.221 12.825) 20.490 12.606 ( 9.202 -0.576 -0.459) 9.231 12.645 ( 5.222 7.949 8.480) 12.742 12.954 ( -5.187 14.455 -11.873) 19.412 13.004 ( -21.532 9.896 -5.571) 24.343 13.308 ( -23.319 6.080 -9.771) 26.004 15.308 ( 15.131 -2.301 3.359) 15.669 15.497 ( 6.097 -3.007 11.475) 13.338 15.829 ( 1.685 -5.020 -1.062) 5.400 16.329 ( -14.885 -5.626 -11.627) 19.708 ======================= Grid point 855 (258/279) ======================= q-point: ( 0.40 0.10 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.634 ( -0.468 1.619 -1.069) 1.996 4.906 ( -1.781 -1.903 1.613) 3.066 5.642 ( -4.356 2.648 2.661) 5.751 7.857 ( -3.506 8.617 6.280) 11.224 8.101 ( -5.341 9.309 -7.112) 12.875 8.809 ( -4.478 -15.172 14.142) 21.219 9.199 ( -12.584 -5.049 9.302) 16.443 9.492 ( 6.755 2.267 -2.523) 7.559 9.811 ( -7.479 -3.626 -17.571) 19.438 10.992 ( -17.182 -16.360 8.195) 25.100 11.343 ( -11.315 -15.225 3.577) 19.303 11.720 ( 1.325 -5.199 5.264) 7.517 11.860 ( 15.521 -1.881 0.391) 15.639 12.215 ( 6.462 9.448 4.029) 12.135 12.346 ( -23.922 5.847 1.054) 24.649 12.453 ( 2.407 10.020 14.395) 17.703 12.654 ( -24.735 -1.825 -8.871) 26.341 12.786 ( 9.805 7.214 -7.987) 14.559 12.887 ( 14.872 6.348 -3.819) 16.616 13.057 ( 16.294 14.542 -0.105) 21.840 15.504 ( -1.997 -1.562 8.232) 8.614 15.560 ( 7.605 -0.953 12.187) 14.397 15.929 ( -0.696 -3.808 -17.811) 18.227 16.257 ( 1.883 -4.910 -2.314) 5.745 ======================= Grid point 856 (259/279) ======================= q-point: (-0.50 0.10 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.612 ( -0.609 0.421 -1.403) 1.586 4.903 ( -1.600 -2.171 1.696) 3.186 5.586 ( -1.352 -1.566 2.845) 3.517 7.767 ( 1.135 2.107 -0.620) 2.472 8.008 ( 1.117 0.527 -0.355) 1.286 8.707 ( -22.885 -6.964 1.629) 23.976 9.061 ( -9.398 -9.183 30.058) 32.804 9.674 ( -3.827 -14.267 -25.849) 29.772 9.800 ( 14.560 7.809 -2.072) 16.651 10.990 ( -11.329 -22.401 9.145) 26.717 11.316 ( -16.556 -11.200 -1.118) 20.019 11.689 ( -27.997 -7.283 6.881) 29.736 11.714 ( -11.022 -4.618 5.635) 13.212 12.068 ( -14.513 7.826 -5.622) 17.421 12.149 ( 4.040 7.518 -0.852) 8.578 12.201 ( -7.059 1.009 -6.321) 9.529 12.620 ( 14.678 -1.001 8.702) 17.093 12.923 ( 13.181 11.746 12.930) 21.883 13.100 ( 15.752 -1.038 -14.284) 21.290 13.209 ( 20.827 18.410 0.332) 27.799 15.418 ( -6.526 1.173 11.916) 13.636 15.617 ( -3.262 1.317 -0.995) 3.656 15.953 ( 3.420 -1.650 -2.786) 4.710 16.460 ( 13.789 -2.586 -8.187) 16.244 ======================= Grid point 857 (260/279) ======================= q-point: (-0.40 0.10 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.600 ( -0.966 -0.442 -0.757) 1.304 4.909 ( -0.766 -2.791 2.210) 3.641 5.636 ( 1.596 -6.315 2.371) 6.931 7.843 ( 4.915 -4.549 8.981) 11.203 8.110 ( 5.561 -5.253 -8.878) 11.719 8.378 ( -20.079 -5.777 1.665) 20.960 9.034 ( -10.109 -11.845 32.817) 36.324 9.663 ( -11.304 -11.604 -27.675) 32.068 10.073 ( 19.115 1.898 -3.111) 19.459 10.823 ( -32.371 -3.006 1.513) 32.546 11.147 ( -15.345 -12.792 -2.145) 20.092 11.469 ( -15.764 -17.015 11.475) 25.878 11.516 ( -13.980 0.758 4.367) 14.666 11.865 ( -9.946 -22.986 -13.669) 28.533 12.175 ( 10.203 9.215 4.190) 14.373 12.253 ( 8.917 2.392 1.243) 9.316 12.770 ( 5.759 11.707 12.277) 17.915 13.030 ( 13.085 1.631 14.766) 19.797 13.242 ( 12.661 18.325 -5.925) 23.048 13.421 ( 13.184 -5.189 -13.867) 19.825 15.269 ( -6.292 5.747 10.513) 13.533 15.469 ( -8.912 4.145 -5.053) 11.051 16.060 ( 7.897 1.755 9.860) 12.754 16.725 ( 14.920 -0.507 -14.295) 20.669 ======================= Grid point 858 (261/279) ======================= q-point: (-0.30 0.10 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.584 ( -1.578 -0.401 0.380) 1.672 4.950 ( 0.755 -4.092 2.975) 5.115 5.778 ( 3.457 -9.973 1.818) 10.710 7.860 ( -10.635 1.736 11.557) 15.802 8.185 ( 3.098 -11.838 9.527) 15.508 8.484 ( 11.125 -14.811 -15.466) 24.131 8.987 ( -12.114 -11.717 31.501) 35.726 9.590 ( -12.825 -9.861 -27.664) 32.047 10.330 ( 1.986 -3.017 -4.638) 5.878 10.384 ( -13.294 -4.426 -1.583) 14.101 10.824 ( -23.470 -1.932 -4.319) 23.942 11.263 ( -12.835 3.481 2.687) 13.568 11.711 ( 2.164 -30.179 11.844) 32.492 12.108 ( -0.624 -27.958 -8.971) 29.369 12.262 ( 12.385 8.205 4.812) 15.616 12.339 ( 4.900 10.007 12.276) 16.579 12.671 ( 6.127 14.333 8.177) 17.602 13.104 ( 8.300 18.517 -2.054) 20.396 13.328 ( 6.566 -8.692 3.844) 11.552 13.658 ( 2.758 -11.302 -12.492) 17.070 15.079 ( -4.568 10.644 8.955) 14.641 15.244 ( -8.582 8.785 -4.514) 13.084 16.150 ( 6.875 4.510 15.871) 17.874 16.951 ( 12.475 1.690 -18.310) 22.220 ======================= Grid point 859 (262/279) ======================= q-point: (-0.20 0.10 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.562 ( -1.240 -0.086 1.321) 1.814 5.022 ( 1.163 -4.811 3.564) 6.099 5.967 ( 3.169 -11.412 1.823) 11.983 7.639 ( -9.373 2.551 8.800) 13.107 8.458 ( 9.020 -12.523 20.702) 25.822 8.789 ( -3.261 -8.512 10.860) 14.178 9.010 ( 4.899 -17.054 -6.452) 18.880 9.485 ( -12.811 -11.055 -22.525) 28.173 10.177 ( -10.200 -10.060 -0.164) 14.327 10.532 ( -6.482 -2.972 -5.227) 8.841 10.559 ( 0.417 -4.815 -8.426) 9.714 11.016 ( -9.598 5.957 1.639) 11.415 12.064 ( 3.444 5.353 25.959) 26.728 12.191 ( -0.855 -9.320 17.170) 19.555 12.365 ( 9.605 5.932 4.310) 12.083 12.445 ( 5.604 -13.783 -9.526) 17.667 12.604 ( 0.379 8.154 -13.936) 16.151 13.101 ( 9.771 4.300 6.729) 12.619 13.554 ( 2.713 -16.400 1.593) 16.699 13.774 ( -7.102 -15.153 -9.660) 19.323 14.879 ( -0.975 14.681 5.592) 15.740 14.983 ( -6.520 13.491 -3.120) 15.306 16.176 ( 3.938 6.511 19.696) 21.114 17.088 ( 7.216 3.473 -20.832) 22.318 ======================= Grid point 860 (263/279) ======================= q-point: (-0.10 0.10 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 470 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.551 ( -0.000 0.049 1.805) 1.806 5.088 ( 0.000 -4.040 3.653) 5.447 6.126 ( 0.000 -9.817 2.300) 10.083 7.529 ( -0.000 1.983 9.009) 9.224 8.703 ( 0.000 -4.847 17.686) 18.338 8.751 ( 0.000 -8.166 23.638) 25.009 9.296 ( 0.000 -9.970 -30.105) 31.713 9.527 ( 0.000 -18.042 -6.108) 19.048 10.215 ( 0.000 -9.074 1.280) 9.164 10.476 ( 0.000 -3.853 -8.026) 8.903 10.696 ( 0.000 -9.497 -12.330) 15.564 10.832 ( -0.000 7.933 2.897) 8.445 11.781 ( -0.000 26.264 30.939) 40.583 12.272 ( -0.000 24.759 -17.713) 30.443 12.391 ( -0.000 4.952 5.553) 7.440 12.513 ( 0.000 -23.813 17.914) 29.799 12.815 ( 0.000 -20.044 -7.266) 21.321 13.206 ( 0.000 -3.556 5.632) 6.661 13.823 ( 0.000 -17.184 -8.801) 19.306 13.845 ( 0.000 -19.131 0.143) 19.132 14.704 ( -0.000 16.412 -0.187) 16.413 14.727 ( -0.000 16.694 0.541) 16.703 16.129 ( -0.000 6.796 22.135) 23.155 17.104 ( -0.000 4.090 -22.151) 22.525 ======================= Grid point 863 (264/279) ======================= q-point: ( 0.20 0.20 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 471 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.676 ( 1.686 0.000 0.168) 1.695 4.917 ( -4.751 -0.000 1.921) 5.125 5.844 ( -8.010 -0.000 1.935) 8.241 8.257 ( 6.576 0.000 16.780) 18.022 8.383 ( -8.965 -0.000 17.010) 19.228 8.770 ( -6.330 -0.000 -11.528) 13.152 8.932 ( -13.232 -0.000 -11.830) 17.749 9.582 ( 7.500 0.000 -3.858) 8.434 9.909 ( -23.687 -0.000 -3.282) 23.913 11.038 ( -20.409 -0.000 8.786) 22.220 11.333 ( -18.577 -0.000 5.605) 19.404 11.412 ( 26.311 0.000 1.112) 26.334 11.557 ( 8.930 0.000 0.322) 8.936 12.101 ( 11.586 0.000 10.587) 15.694 12.419 ( 26.179 0.000 5.521) 26.755 12.551 ( 15.129 0.000 -2.370) 15.313 12.818 ( -0.509 -0.000 12.303) 12.314 13.113 ( -26.441 -0.000 -6.730) 27.284 13.142 ( -10.909 -0.000 -12.677) 16.725 13.411 ( -16.013 -0.000 -6.248) 17.188 15.279 ( 17.016 0.000 -0.232) 17.018 15.456 ( 6.622 0.000 14.456) 15.900 15.757 ( 3.179 0.000 0.536) 3.224 16.249 ( -14.988 -0.000 -12.740) 19.671 ======================= Grid point 864 (265/279) ======================= q-point: ( 0.30 0.20 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.680 ( -0.170 1.733 -0.401) 1.787 4.854 ( -3.601 -1.875 1.468) 4.317 5.703 ( -7.162 1.761 2.046) 7.654 8.104 ( -5.421 11.798 16.348) 20.877 8.384 ( -10.769 -0.173 1.108) 10.828 8.497 ( -3.625 3.789 0.752) 5.297 8.918 ( -11.036 -17.754 -10.473) 23.381 9.500 ( -20.158 -0.486 -4.050) 20.567 9.775 ( 11.161 0.026 -0.780) 11.188 10.702 ( -22.304 -6.646 8.306) 24.711 11.074 ( -15.751 -6.252 4.986) 17.665 11.626 ( 0.689 -2.202 4.470) 5.030 11.822 ( 16.844 -0.939 -1.069) 16.904 12.335 ( 10.784 2.016 3.381) 11.480 12.428 ( -24.615 1.635 -5.253) 25.222 12.578 ( -18.403 -0.331 0.704) 18.420 12.710 ( -5.528 4.933 10.350) 12.728 12.961 ( 3.039 4.919 -10.057) 11.601 13.024 ( 18.269 3.894 0.927) 18.702 13.356 ( 15.900 7.942 0.610) 17.783 15.468 ( -2.639 -1.076 17.180) 17.415 15.549 ( 14.000 0.084 -0.058) 14.000 15.834 ( -2.184 -3.026 -17.215) 17.614 16.140 ( 2.932 -3.513 -0.930) 4.669 ======================= Grid point 865 (266/279) ======================= q-point: ( 0.40 0.20 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 852 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.640 ( -1.349 1.919 -1.056) 2.572 4.836 ( -2.658 -3.214 1.322) 4.375 5.581 ( -5.266 0.654 2.423) 5.833 7.912 ( -2.483 8.670 6.626) 11.191 8.113 ( -6.807 8.152 -7.038) 12.740 8.484 ( -11.678 -9.714 12.544) 19.700 8.845 ( -16.346 -9.904 8.111) 20.762 9.291 ( -15.597 -15.724 -17.681) 28.339 9.979 ( 17.190 6.404 0.526) 18.352 10.495 ( -17.917 -16.416 8.331) 25.689 10.966 ( -11.779 -13.947 4.428) 18.785 11.619 ( -16.477 -1.986 1.364) 16.652 11.633 ( -25.802 -0.966 -3.517) 26.058 12.046 ( -37.148 -1.787 -8.768) 38.210 12.253 ( 10.418 1.287 -0.600) 10.515 12.451 ( 5.673 10.722 2.170) 12.323 12.673 ( 4.898 3.691 12.014) 13.489 13.002 ( 6.184 -1.670 -12.761) 14.278 13.288 ( 20.793 11.566 8.827) 25.378 13.621 ( 26.304 14.244 5.915) 30.492 15.430 ( -2.512 -0.019 13.900) 14.125 15.653 ( -1.897 2.215 -7.879) 8.402 15.872 ( 5.922 -4.593 -4.530) 8.757 16.350 ( 12.233 -5.620 -4.769) 14.282 ======================= Grid point 866 (267/279) ======================= q-point: (-0.50 0.20 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.602 ( -1.388 0.629 -1.228) 1.957 4.834 ( -2.224 -3.488 1.617) 4.441 5.526 ( -2.542 -2.943 2.419) 4.580 7.829 ( 1.933 3.831 0.061) 4.292 8.026 ( 0.437 -2.583 -0.485) 2.664 8.276 ( -19.206 -2.075 2.905) 19.535 8.727 ( -13.224 -12.586 26.460) 32.147 9.261 ( -15.052 -19.679 -24.480) 34.829 10.192 ( 16.577 5.936 -0.433) 17.613 10.490 ( -13.879 -24.405 11.590) 30.374 10.877 ( -25.407 -4.763 -8.602) 27.243 11.100 ( -21.049 -16.226 6.615) 27.388 11.469 ( -32.510 -6.982 -14.913) 36.442 11.536 ( -9.137 0.243 1.940) 9.344 12.369 ( 7.691 6.480 1.879) 10.231 12.421 ( 7.610 8.528 1.496) 11.527 12.763 ( 5.523 -3.230 8.266) 10.453 13.169 ( 4.528 -8.218 -10.249) 13.895 13.411 ( 15.723 19.601 16.913) 30.290 13.820 ( 21.837 21.303 0.721) 30.516 15.379 ( -1.345 3.442 10.517) 11.147 15.551 ( -4.999 3.092 -7.383) 9.437 16.046 ( 8.307 -2.449 5.303) 10.155 16.637 ( 12.758 -6.513 -11.625) 18.448 ======================= Grid point 867 (268/279) ======================= q-point: (-0.40 0.20 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 852 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.576 ( -1.467 -0.208 -0.460) 1.552 4.851 ( -1.005 -4.179 2.281) 4.866 5.568 ( 0.100 -7.398 1.783) 7.611 7.877 ( 0.913 -0.468 11.567) 11.612 7.991 ( -12.370 -4.926 1.444) 13.393 8.185 ( 9.507 -8.583 -9.621) 16.020 8.663 ( -13.854 -14.041 30.077) 35.968 9.226 ( -16.506 -18.737 -26.223) 36.210 10.226 ( -25.366 -5.077 -0.989) 25.888 10.419 ( 9.665 3.919 0.702) 10.453 10.718 ( -16.450 -12.123 -3.305) 20.700 10.948 ( -14.762 -24.439 2.559) 28.666 11.364 ( -8.086 -0.919 0.482) 8.152 11.381 ( -7.261 -24.182 -7.730) 26.405 12.423 ( 8.612 5.796 5.242) 11.629 12.502 ( 10.672 5.079 1.497) 11.913 12.891 ( 2.686 -5.359 5.661) 8.245 13.302 ( -2.319 -10.042 -8.516) 13.369 13.362 ( 9.032 22.364 22.724) 33.138 13.841 ( 14.235 25.834 -6.606) 30.227 15.299 ( -0.392 7.733 7.728) 10.940 15.420 ( -4.188 6.211 -4.502) 8.740 16.192 ( 6.619 -0.852 11.909) 13.652 16.910 ( 10.869 -5.344 -16.677) 20.611 ======================= Grid point 868 (269/279) ======================= q-point: (-0.30 0.20 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.557 ( -1.086 -0.304 0.573) 1.265 4.900 ( 0.076 -5.222 3.154) 6.101 5.693 ( 1.285 -10.961 1.186) 11.099 7.702 ( -9.323 2.343 7.729) 12.335 8.156 ( 9.370 -11.649 17.972) 23.377 8.515 ( 6.327 -12.973 -5.473) 15.437 8.612 ( -5.937 -15.813 14.971) 22.571 9.145 ( -18.284 -16.996 -26.310) 36.268 9.943 ( -14.487 -8.918 -1.897) 17.117 10.466 ( -14.156 -3.133 -4.910) 15.307 10.541 ( 7.214 2.892 -3.446) 8.502 11.184 ( -5.030 6.953 2.105) 8.836 11.278 ( -1.445 -39.101 6.037) 39.591 11.691 ( -1.898 -34.128 -7.849) 35.070 12.505 ( 7.724 4.930 5.357) 10.614 12.605 ( 7.588 8.419 11.697) 16.288 12.960 ( 6.022 6.897 1.538) 9.284 13.250 ( 1.654 7.326 19.033) 20.461 13.326 ( -6.722 -8.548 -5.987) 12.414 13.709 ( 4.967 22.114 -10.568) 25.008 15.187 ( 0.729 11.260 4.624) 12.194 15.261 ( -3.456 9.955 -2.020) 10.729 16.278 ( 3.798 1.548 16.402) 16.907 17.106 ( 6.437 -2.638 -19.553) 20.754 ======================= Grid point 869 (270/279) ======================= q-point: (-0.20 0.20 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 471 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.550 ( 0.000 -0.132 1.200) 1.208 4.968 ( 0.000 -5.663 3.687) 6.758 5.848 ( 0.000 -12.495 1.250) 12.557 7.590 ( -0.000 2.842 8.333) 8.804 8.488 ( 0.000 -13.231 22.083) 25.743 8.496 ( 0.000 -11.774 26.515) 29.012 8.985 ( 0.000 -15.713 -27.081) 31.309 9.083 ( 0.000 -18.281 -19.768) 26.925 9.953 ( 0.000 -11.653 -1.135) 11.708 10.387 ( 0.000 -3.712 -5.843) 6.923 10.584 ( -0.000 0.076 -5.999) 5.999 11.040 ( -0.000 8.948 2.221) 9.220 11.735 ( 0.000 -37.920 11.864) 39.732 12.087 ( 0.000 -33.915 -10.511) 35.506 12.463 ( -0.000 23.301 25.136) 34.275 12.521 ( -0.000 5.333 4.307) 6.855 12.872 ( -0.000 19.022 -7.706) 20.524 13.243 ( -0.000 1.805 12.432) 12.562 13.416 ( 0.000 -16.687 -0.362) 16.691 13.552 ( -0.000 3.839 -12.377) 12.958 15.059 ( -0.000 13.387 0.353) 13.392 15.080 ( -0.000 13.037 1.153) 13.087 16.275 ( -0.000 4.385 18.821) 19.325 17.174 ( -0.000 0.641 -20.789) 20.799 ======================= Grid point 874 (271/279) ======================= q-point: ( 0.30 0.30 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 470 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.678 ( -1.676 -0.000 -0.618) 1.786 4.782 ( -3.063 -0.000 1.006) 3.224 5.593 ( -6.891 -0.000 2.123) 7.210 8.076 ( -9.428 -0.000 10.461) 14.083 8.191 ( -6.289 -0.000 14.518) 15.821 8.526 ( -10.792 -0.000 -5.063) 11.920 8.537 ( -7.741 -0.000 -13.799) 15.822 9.085 ( -23.550 -0.000 -3.447) 23.801 10.064 ( 17.962 0.000 1.019) 17.991 10.294 ( -20.586 -0.000 7.486) 21.905 10.782 ( -13.763 -0.000 4.845) 14.591 11.591 ( -5.101 -0.000 3.082) 5.959 11.628 ( -35.529 -0.000 -8.474) 36.526 12.026 ( -37.672 -0.000 -5.967) 38.141 12.263 ( 10.452 0.000 -0.046) 10.452 12.593 ( 10.978 0.000 0.517) 10.990 12.721 ( -0.815 -0.000 11.696) 11.724 12.975 ( -2.897 -0.000 -11.822) 12.171 13.441 ( 24.709 0.000 7.466) 25.813 13.801 ( 27.358 0.000 10.021) 29.136 15.427 ( -0.925 -0.000 14.444) 14.474 15.709 ( -6.523 -0.000 -13.535) 15.025 15.785 ( 12.880 0.000 -5.014) 13.821 16.267 ( 10.912 0.000 -1.491) 11.013 ======================= Grid point 875 (272/279) ======================= q-point: (-0.60 0.30 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.629 ( -2.558 1.324 -0.942) 3.030 4.756 ( -2.211 -2.532 0.821) 3.460 5.488 ( -5.520 -0.588 2.314) 6.014 7.919 ( -7.222 -0.652 5.752) 9.256 8.039 ( -7.196 6.325 -0.261) 9.585 8.315 ( -5.718 4.906 5.753) 9.479 8.478 ( -12.862 -8.112 4.185) 15.772 8.824 ( -16.570 -14.457 -10.841) 24.517 10.035 ( -16.377 -10.866 8.315) 21.340 10.321 ( 13.426 4.585 -0.516) 14.197 10.646 ( -8.782 -10.102 4.439) 14.102 10.935 ( -40.761 -0.768 -10.429) 42.081 11.394 ( -37.188 -1.049 -8.715) 38.210 11.540 ( -4.300 0.058 1.578) 4.581 12.435 ( 8.753 0.604 0.198) 8.776 12.643 ( 3.061 8.432 3.163) 9.512 12.730 ( 0.943 -0.303 6.374) 6.450 12.970 ( -1.510 -7.435 -8.995) 11.767 13.783 ( 21.419 9.321 11.668) 26.111 14.192 ( 24.287 8.597 12.398) 28.592 15.430 ( 1.398 0.933 9.886) 10.028 15.618 ( -2.972 2.078 -7.937) 8.727 15.988 ( 9.643 -1.505 -5.024) 10.977 16.472 ( 9.863 -5.407 -6.116) 12.803 ======================= Grid point 876 (273/279) ======================= q-point: (-0.50 0.30 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.577 ( -2.216 0.338 -0.896) 2.413 4.760 ( -1.487 -3.291 1.082) 3.770 5.438 ( -3.087 -3.582 2.094) 5.171 7.829 ( -11.331 -7.228 1.975) 13.584 7.914 ( 1.547 4.339 0.645) 4.651 8.163 ( -1.302 4.688 2.026) 5.270 8.384 ( -10.863 -8.955 19.733) 24.240 8.782 ( -14.031 -17.911 -17.200) 28.522 9.987 ( -14.647 -18.437 10.979) 25.981 10.247 ( -22.419 -6.444 -11.956) 26.212 10.540 ( -1.186 -0.946 -1.351) 2.032 10.695 ( -6.149 -8.285 4.080) 11.095 10.879 ( -23.607 -8.705 -13.500) 28.554 11.448 ( -4.802 2.397 1.108) 5.481 12.534 ( 5.667 2.656 0.500) 6.278 12.615 ( 5.405 5.517 2.204) 8.032 12.757 ( -0.044 -3.622 5.441) 6.537 13.045 ( -3.688 -10.388 -6.674) 12.886 13.911 ( 14.207 19.672 18.346) 30.421 14.387 ( 17.165 17.594 6.426) 25.407 15.435 ( 2.144 3.713 6.700) 7.955 15.545 ( -1.487 4.418 -4.300) 6.342 16.142 ( 6.341 -2.179 1.872) 6.961 16.719 ( 8.519 -9.596 -12.876) 18.179 ======================= Grid point 877 (274/279) ======================= q-point: (-0.40 0.30 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.548 ( -1.300 -0.400 -0.192) 1.374 4.787 ( -0.540 -4.169 1.756) 4.556 5.472 ( -0.730 -7.385 1.415) 7.555 7.707 ( -9.178 -2.983 4.216) 10.531 7.970 ( 6.264 -3.128 11.513) 13.474 8.253 ( 5.442 -7.850 -2.718) 9.931 8.312 ( -6.711 -8.502 15.849) 19.197 8.741 ( -15.149 -16.055 -19.849) 29.685 9.765 ( -17.634 -6.266 -2.136) 18.836 10.322 ( -4.355 -26.468 -1.375) 26.859 10.421 ( -14.439 -8.974 -1.319) 17.051 10.650 ( 4.196 -0.063 -6.046) 7.360 10.969 ( -2.227 -23.873 -3.424) 24.220 11.333 ( -3.287 5.029 1.217) 6.130 12.592 ( 5.779 2.555 4.066) 7.514 12.687 ( 5.411 1.488 4.211) 7.016 12.822 ( 1.482 -7.603 0.314) 7.752 13.071 ( -7.900 -10.328 -5.721) 14.206 13.804 ( 6.355 26.601 24.020) 36.400 14.345 ( 8.380 25.414 -2.685) 26.894 15.405 ( 1.773 6.995 4.154) 8.326 15.456 ( -1.384 6.793 -1.435) 7.079 16.254 ( 3.383 -2.787 9.886) 10.814 16.956 ( 5.341 -9.657 -17.623) 20.793 ======================= Grid point 878 (275/279) ======================= q-point: (-0.30 0.30 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 470 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.543 ( 0.000 -0.474 0.431) 0.641 4.838 ( 0.000 -5.055 2.662) 5.713 5.575 ( 0.000 -10.134 0.956) 10.179 7.638 ( -0.000 0.487 6.182) 6.201 8.181 ( 0.000 -11.461 18.618) 21.863 8.232 ( 0.000 -8.759 25.558) 27.017 8.597 ( 0.000 -15.787 -20.355) 25.760 8.693 ( 0.000 -14.198 -20.776) 25.164 9.707 ( 0.000 -8.838 -2.897) 9.301 10.302 ( 0.000 -3.283 -5.445) 6.358 10.628 ( 0.000 -2.589 1.313) 2.903 10.802 ( 0.000 -34.085 -2.693) 34.191 11.232 ( -0.000 6.996 1.606) 7.178 11.281 ( 0.000 -31.414 -4.216) 31.696 12.626 ( -0.000 3.489 3.200) 4.734 12.715 ( -0.000 0.461 14.055) 14.063 12.991 ( 0.000 -7.919 -11.857) 14.258 13.073 ( 0.000 -12.131 -0.601) 12.146 13.525 ( -0.000 27.822 26.237) 38.242 14.086 ( -0.000 29.142 -8.486) 30.352 15.332 ( -0.000 9.759 0.849) 9.796 15.338 ( -0.000 8.782 1.706) 8.946 16.310 ( 0.000 -1.379 14.742) 14.806 17.103 ( 0.000 -6.822 -19.549) 20.705 ======================= Grid point 885 (276/279) ======================= q-point: ( 0.40 -0.60 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 471 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.585 ( -3.132 -0.000 -0.780) 3.228 4.715 ( -1.059 -0.000 0.297) 1.100 5.396 ( -4.516 -0.000 2.258) 5.049 7.734 ( -10.349 -0.000 2.310) 10.603 8.006 ( -4.101 -0.000 3.602) 5.458 8.256 ( -4.614 -0.000 6.934) 8.329 8.318 ( -4.371 -0.000 -0.080) 4.371 8.465 ( -12.509 -0.000 -5.231) 13.559 9.720 ( -12.528 -0.000 7.357) 14.528 10.205 ( -32.928 -0.000 -12.203) 35.117 10.429 ( -7.456 -0.000 4.665) 8.795 10.650 ( 9.049 0.000 -2.386) 9.358 10.812 ( -30.179 -0.000 -10.159) 31.843 11.477 ( -3.653 -0.000 0.679) 3.716 12.553 ( 5.093 0.000 0.430) 5.111 12.704 ( 0.031 0.000 5.377) 5.377 12.766 ( 0.944 0.000 1.304) 1.609 12.857 ( -3.311 -0.000 -6.060) 6.906 14.168 ( 16.565 0.000 12.346) 20.660 14.600 ( 17.736 0.000 19.333) 26.236 15.477 ( 2.995 0.000 6.104) 6.799 15.605 ( -0.673 -0.000 -2.762) 2.843 16.126 ( 7.245 0.000 -11.860) 13.898 16.568 ( 6.319 0.000 -6.852) 9.321 ======================= Grid point 887 (277/279) ======================= q-point: (-0.50 0.40 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 850 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.541 ( -1.869 -0.142 -0.591) 1.965 4.713 ( -0.486 -1.760 0.302) 1.850 5.353 ( -2.232 -2.606 1.982) 3.963 7.607 ( -6.959 -3.292 2.511) 8.098 7.955 ( -0.672 -0.226 2.190) 2.302 8.193 ( -2.412 3.122 10.123) 10.864 8.222 ( -0.529 0.250 2.862) 2.921 8.412 ( -8.253 -11.677 -7.416) 16.108 9.611 ( -10.350 -7.779 4.397) 13.673 9.786 ( -16.069 -9.278 -11.939) 22.064 10.336 ( -10.928 -3.234 0.777) 11.423 10.471 ( -9.654 -7.266 -7.941) 14.459 10.784 ( 5.933 0.730 -2.487) 6.474 11.415 ( -2.417 1.757 0.660) 3.061 12.619 ( 2.839 -0.445 0.357) 2.895 12.708 ( 0.283 0.085 2.676) 2.693 12.741 ( 1.956 1.830 1.090) 2.891 12.865 ( -4.193 -6.848 -2.761) 8.491 14.303 ( 8.378 12.889 16.234) 22.357 14.773 ( 9.249 9.205 16.900) 21.351 15.512 ( 2.250 2.131 3.696) 4.823 15.581 ( -0.293 3.092 -0.164) 3.110 16.212 ( 3.493 0.372 -8.108) 8.836 16.706 ( 3.745 -8.895 -11.553) 15.054 ======================= Grid point 888 (278/279) ======================= q-point: (-0.40 0.40 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 471 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.530 ( 0.000 -0.517 -0.249) 0.574 4.738 ( 0.000 -3.148 0.885) 3.270 5.385 ( 0.000 -5.664 1.547) 5.871 7.589 ( 0.000 -3.944 3.545) 5.303 7.992 ( 0.000 -4.764 9.684) 10.792 8.135 ( -0.000 0.821 16.622) 16.642 8.304 ( 0.000 -7.950 -7.817) 11.150 8.423 ( 0.000 -8.910 -11.517) 14.561 9.543 ( 0.000 -4.859 -4.270) 6.468 9.933 ( 0.000 -27.926 -2.174) 28.010 10.239 ( 0.000 -1.959 -5.509) 5.847 10.571 ( 0.000 -15.556 -2.601) 15.772 10.830 ( 0.000 -1.442 -2.925) 3.261 11.360 ( -0.000 3.750 0.975) 3.875 12.670 ( 0.000 -2.606 5.403) 5.998 12.687 ( -0.000 1.815 1.890) 2.620 12.838 ( 0.000 -4.271 -5.193) 6.724 12.851 ( 0.000 -6.577 -0.023) 6.577 14.156 ( -0.000 22.528 21.484) 31.129 14.684 ( -0.000 18.845 5.979) 19.771 15.494 ( -0.000 4.385 2.118) 4.870 15.521 ( -0.000 6.072 0.828) 6.128 16.250 ( 0.000 -2.066 2.798) 3.479 16.870 ( 0.000 -11.796 -16.285) 20.108 ======================= Grid point 898 (279/279) ======================= q-point: (-0.50 0.50 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.523 ( 0.000 -0.000 -0.536) 0.536 4.699 ( 0.000 -0.000 -0.032) 0.032 5.316 ( 0.000 -0.000 1.979) 1.979 7.528 ( 0.000 -0.000 2.676) 2.676 7.933 ( 0.000 -0.000 1.753) 1.753 8.220 ( 0.000 -0.000 1.382) 1.382 8.229 ( 0.000 -0.000 1.607) 1.607 8.254 ( -0.000 0.000 4.745) 4.745 9.485 ( 0.000 -0.000 -4.816) 4.816 9.575 ( 0.000 -0.000 -4.819) 4.819 10.215 ( 0.000 -0.000 -5.576) 5.576 10.350 ( 0.000 -0.000 -2.154) 2.154 10.841 ( 0.000 -0.000 -2.745) 2.745 11.405 ( 0.000 -0.000 0.680) 0.680 12.634 ( -0.000 0.000 -0.285) 0.285 12.715 ( 0.000 -0.000 -0.513) 0.513 12.766 ( -0.000 0.000 2.177) 2.177 12.789 ( 0.000 -0.000 -0.199) 0.199 14.456 ( -0.000 0.000 14.160) 14.160 14.904 ( 0.000 -0.000 23.701) 23.701 15.546 ( 0.000 -0.000 2.272) 2.272 15.597 ( 0.000 -0.000 2.204) 2.204 16.251 ( 0.000 -0.000 -15.721) 15.721 16.675 ( 0.000 -0.000 -9.265) 9.265 =================== 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 3/40800 10.0 1034.919 825.325 1317.846 0.000 0.000 0.000 3/40800 20.0 1446.001 1430.842 1732.417 0.000 0.000 -0.000 3/40800 30.0 664.070 914.113 1005.300 0.000 0.000 -0.000 3/40800 40.0 392.915 528.683 510.121 0.000 0.000 -0.000 3/40800 50.0 250.980 314.851 296.549 0.000 0.000 -0.000 3/40800 60.0 169.026 202.452 192.532 0.000 0.000 -0.000 3/40800 70.0 119.940 139.393 135.192 0.000 0.000 -0.000 3/40800 80.0 89.390 101.588 100.871 0.000 0.000 -0.000 3/40800 90.0 69.617 77.660 79.068 0.000 0.000 -0.000 3/40800 100.0 56.323 61.810 64.534 0.000 0.000 -0.000 3/40800 110.0 47.054 50.885 54.427 0.000 0.000 -0.000 3/40800 120.0 40.368 43.081 47.127 0.000 0.000 -0.000 3/40800 130.0 35.388 37.322 41.671 0.000 0.000 -0.000 3/40800 140.0 31.571 32.949 37.465 0.000 0.000 -0.000 3/40800 150.0 28.567 29.539 34.134 0.000 0.000 -0.000 3/40800 160.0 26.147 26.818 31.430 0.000 0.000 -0.000 3/40800 170.0 24.156 24.600 29.190 0.000 0.000 -0.000 3/40800 180.0 22.490 22.760 27.299 0.000 0.000 -0.000 3/40800 190.0 21.071 21.209 25.677 0.000 0.000 -0.000 3/40800 200.0 19.847 19.881 24.268 0.000 0.000 -0.000 3/40800 210.0 18.779 18.731 23.029 0.000 0.000 -0.000 3/40800 220.0 17.835 17.723 21.929 0.000 0.000 -0.000 3/40800 230.0 16.995 16.832 20.942 0.000 0.000 -0.000 3/40800 240.0 16.240 16.037 20.052 0.000 0.000 -0.000 3/40800 250.0 15.558 15.323 19.242 0.000 0.000 -0.000 3/40800 260.0 14.937 14.676 18.502 0.000 0.000 -0.000 3/40800 270.0 14.369 14.088 17.822 0.000 0.000 -0.000 3/40800 280.0 13.846 13.549 17.195 0.000 0.000 -0.000 3/40800 290.0 13.364 13.054 16.613 0.000 0.000 -0.000 3/40800 300.0 12.917 12.597 16.073 0.000 0.000 -0.000 3/40800 310.0 12.500 12.174 15.568 0.000 0.000 -0.000 3/40800 320.0 12.112 11.780 15.096 0.000 0.000 -0.000 3/40800 330.0 11.749 11.412 14.653 0.000 0.000 -0.000 3/40800 340.0 11.408 11.069 14.237 0.000 0.000 -0.000 3/40800 350.0 11.087 10.746 13.844 0.000 0.000 -0.000 3/40800 360.0 10.784 10.443 13.474 0.000 0.000 -0.000 3/40800 370.0 10.499 10.158 13.123 0.000 0.000 -0.000 3/40800 380.0 10.228 9.888 12.791 0.000 0.000 -0.000 3/40800 390.0 9.972 9.633 12.475 0.000 0.000 -0.000 3/40800 400.0 9.729 9.391 12.175 0.000 0.000 -0.000 3/40800 410.0 9.498 9.162 11.890 0.000 0.000 -0.000 3/40800 420.0 9.277 8.944 11.618 0.000 0.000 -0.000 3/40800 430.0 9.067 8.736 11.358 0.000 0.000 -0.000 3/40800 440.0 8.867 8.538 11.110 0.000 0.000 -0.000 3/40800 450.0 8.675 8.349 10.872 0.000 0.000 -0.000 3/40800 460.0 8.492 8.169 10.645 0.000 0.000 -0.000 3/40800 470.0 8.316 7.996 10.427 0.000 0.000 -0.000 3/40800 480.0 8.148 7.831 10.218 0.000 0.000 -0.000 3/40800 490.0 7.986 7.672 10.017 0.000 0.000 -0.000 3/40800 500.0 7.831 7.520 9.824 0.000 0.000 -0.000 3/40800 510.0 7.682 7.374 9.639 0.000 0.000 -0.000 3/40800 520.0 7.539 7.234 9.460 0.000 0.000 -0.000 3/40800 530.0 7.400 7.099 9.288 0.000 0.000 -0.000 3/40800 540.0 7.267 6.969 9.122 0.000 0.000 -0.000 3/40800 550.0 7.139 6.844 8.962 0.000 0.000 -0.000 3/40800 560.0 7.015 6.723 8.807 0.000 0.000 -0.000 3/40800 570.0 6.895 6.606 8.658 0.000 0.000 -0.000 3/40800 580.0 6.780 6.494 8.514 0.000 0.000 -0.000 3/40800 590.0 6.668 6.385 8.374 0.000 0.000 -0.000 3/40800 600.0 6.560 6.280 8.239 0.000 0.000 -0.000 3/40800 610.0 6.455 6.179 8.108 0.000 0.000 -0.000 3/40800 620.0 6.354 6.080 7.982 0.000 0.000 -0.000 3/40800 630.0 6.256 5.985 7.859 0.000 0.000 -0.000 3/40800 640.0 6.161 5.893 7.740 0.000 0.000 -0.000 3/40800 650.0 6.068 5.803 7.625 0.000 0.000 -0.000 3/40800 660.0 5.979 5.717 7.513 0.000 0.000 -0.000 3/40800 670.0 5.892 5.632 7.404 0.000 0.000 -0.000 3/40800 680.0 5.807 5.551 7.298 0.000 0.000 -0.000 3/40800 690.0 5.725 5.471 7.196 0.000 0.000 -0.000 3/40800 700.0 5.646 5.394 7.096 0.000 0.000 -0.000 3/40800 710.0 5.568 5.319 6.999 0.000 0.000 -0.000 3/40800 720.0 5.493 5.246 6.904 0.000 0.000 -0.000 3/40800 730.0 5.419 5.176 6.812 0.000 0.000 -0.000 3/40800 740.0 5.348 5.107 6.723 0.000 0.000 -0.000 3/40800 750.0 5.278 5.039 6.636 0.000 0.000 -0.000 3/40800 760.0 5.210 4.974 6.551 0.000 0.000 -0.000 3/40800 770.0 5.144 4.910 6.468 0.000 0.000 -0.000 3/40800 780.0 5.080 4.848 6.387 0.000 0.000 -0.000 3/40800 790.0 5.017 4.788 6.308 0.000 0.000 -0.000 3/40800 800.0 4.956 4.729 6.231 0.000 0.000 -0.000 3/40800 810.0 4.896 4.671 6.156 0.000 0.000 -0.000 3/40800 820.0 4.838 4.615 6.083 0.000 0.000 -0.000 3/40800 830.0 4.781 4.560 6.012 0.000 0.000 -0.000 3/40800 840.0 4.725 4.506 5.942 0.000 0.000 -0.000 3/40800 850.0 4.670 4.454 5.874 0.000 0.000 -0.000 3/40800 860.0 4.617 4.403 5.807 0.000 0.000 -0.000 3/40800 870.0 4.565 4.353 5.742 0.000 0.000 -0.000 3/40800 880.0 4.515 4.304 5.678 0.000 0.000 -0.000 3/40800 890.0 4.465 4.256 5.616 0.000 0.000 -0.000 3/40800 900.0 4.416 4.210 5.555 0.000 0.000 -0.000 3/40800 910.0 4.369 4.164 5.495 0.000 0.000 -0.000 3/40800 920.0 4.322 4.119 5.437 0.000 0.000 -0.000 3/40800 930.0 4.277 4.076 5.380 0.000 0.000 -0.000 3/40800 940.0 4.232 4.033 5.324 0.000 0.000 -0.000 3/40800 950.0 4.189 3.991 5.269 0.000 0.000 -0.000 3/40800 960.0 4.146 3.950 5.215 0.000 0.000 -0.000 3/40800 970.0 4.104 3.910 5.163 0.000 0.000 -0.000 3/40800 980.0 4.063 3.870 5.111 0.000 0.000 -0.000 3/40800 990.0 4.023 3.832 5.060 0.000 0.000 -0.000 3/40800 1000.0 3.983 3.794 5.011 0.000 0.000 -0.000 3/40800 Thermal conductivity related properties were written into "kappa-m101017.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:05:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|