----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:54:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.669376353549216 0.963814887100434 8.328003973333324 b -1.669376353549213 0.963814887100434 8.328003973333324 c 0.000000000000002 -1.927629774200870 8.328003973333324 Atomic positions (fractional): *1 C 0.78335596637800 0.78335596637800 0.78335596637800 12.011 2 C 0.21664403362200 0.21664403362200 0.21664403362200 12.011 *3 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 *4 Al 0.87004976288634 0.87004976288634 0.87004976288634 26.982 5 Al 0.12995023711366 0.12995023711366 0.12995023711366 26.982 *6 Al 0.70651233704786 0.70651233704786 0.70651233704786 26.982 7 Al 0.29348766295214 0.29348766295214 0.29348766295214 26.982 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.338752707098429 0.000000000000000 0.000000000000000 b -1.669376353549215 2.891444661301304 0.000000000000000 c 0.000000000000000 0.000000000000000 24.984011920000000 Atomic positions (fractional): *1 C 0.66666666666667 0.33333333333333 0.11668929971133 12.011 > 1 2 C 0.00000000000000 0.00000000000000 0.21664403362200 12.011 > 2 *3 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 > 3 4 C 0.33333333333333 0.66666666666667 0.45002263304466 12.011 > 1 5 C 0.66666666666667 0.33333333333333 0.54997736695534 12.011 > 2 6 C 0.66666666666667 0.33333333333333 0.33333333333333 12.011 > 3 7 C 0.00000000000000 0.00000000000000 0.78335596637800 12.011 > 1 8 C 0.33333333333333 0.66666666666667 0.88331070028867 12.011 > 2 9 C 0.33333333333333 0.66666666666667 0.66666666666667 12.011 > 3 *10 Al 0.66666666666667 0.33333333333333 0.20338309621967 26.982 > 4 11 Al 0.00000000000000 0.00000000000000 0.12995023711366 26.982 > 5 *12 Al 0.66666666666667 0.33333333333333 0.03984567038119 26.982 > 6 13 Al 0.00000000000000 0.00000000000000 0.29348766295214 26.982 > 7 14 Al 0.33333333333333 0.66666666666667 0.53671642955300 26.982 > 4 15 Al 0.66666666666667 0.33333333333333 0.46328357044700 26.982 > 5 16 Al 0.33333333333333 0.66666666666667 0.37317900371453 26.982 > 6 17 Al 0.66666666666667 0.33333333333333 0.62682099628547 26.982 > 7 18 Al 0.00000000000000 0.00000000000000 0.87004976288634 26.982 > 4 19 Al 0.33333333333333 0.66666666666667 0.79661690378033 26.982 > 5 20 Al 0.00000000000000 0.00000000000000 0.70651233704786 26.982 > 6 21 Al 0.33333333333333 0.66666666666667 0.96015432961880 26.982 > 7 -------------------------------- super cell -------------------------------- Lattice vectors: a 6.677505414196858 0.000000000000000 0.000000000000000 b -3.338752707098430 5.782889322602608 0.000000000000000 c 0.000000000000000 0.000000000000000 24.984011920000000 Atomic positions (fractional): *1 C 0.33333333333333 0.16666666666667 0.11668929971133 12.011 > 1 2 C 0.83333333333333 0.16666666666667 0.11668929971133 12.011 > 1 3 C 0.33333333333333 0.66666666666667 0.11668929971133 12.011 > 1 4 C 0.83333333333333 0.66666666666667 0.11668929971133 12.011 > 1 5 C 0.00000000000000 0.00000000000000 0.21664403362200 12.011 > 2 6 C 0.50000000000000 0.00000000000000 0.21664403362200 12.011 > 2 7 C 0.00000000000000 0.50000000000000 0.21664403362200 12.011 > 2 8 C 0.50000000000000 0.50000000000000 0.21664403362200 12.011 > 2 *9 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 > 3 10 C 0.50000000000000 0.00000000000000 0.00000000000000 12.011 > 3 11 C 0.00000000000000 0.50000000000000 0.00000000000000 12.011 > 3 12 C 0.50000000000000 0.50000000000000 0.00000000000000 12.011 > 3 13 C 0.16666666666667 0.33333333333333 0.45002263304466 12.011 > 1 14 C 0.66666666666667 0.33333333333333 0.45002263304466 12.011 > 1 15 C 0.16666666666667 0.83333333333333 0.45002263304466 12.011 > 1 16 C 0.66666666666667 0.83333333333333 0.45002263304466 12.011 > 1 17 C 0.33333333333333 0.16666666666667 0.54997736695534 12.011 > 2 18 C 0.83333333333333 0.16666666666667 0.54997736695534 12.011 > 2 19 C 0.33333333333333 0.66666666666667 0.54997736695534 12.011 > 2 20 C 0.83333333333333 0.66666666666667 0.54997736695534 12.011 > 2 21 C 0.33333333333333 0.16666666666667 0.33333333333333 12.011 > 3 22 C 0.83333333333333 0.16666666666667 0.33333333333333 12.011 > 3 23 C 0.33333333333333 0.66666666666667 0.33333333333333 12.011 > 3 24 C 0.83333333333333 0.66666666666667 0.33333333333333 12.011 > 3 25 C 0.00000000000000 0.00000000000000 0.78335596637800 12.011 > 1 26 C 0.50000000000000 0.00000000000000 0.78335596637800 12.011 > 1 27 C 0.00000000000000 0.50000000000000 0.78335596637800 12.011 > 1 28 C 0.50000000000000 0.50000000000000 0.78335596637800 12.011 > 1 29 C 0.16666666666667 0.33333333333333 0.88331070028867 12.011 > 2 30 C 0.66666666666667 0.33333333333333 0.88331070028867 12.011 > 2 31 C 0.16666666666667 0.83333333333333 0.88331070028867 12.011 > 2 32 C 0.66666666666667 0.83333333333333 0.88331070028867 12.011 > 2 33 C 0.16666666666667 0.33333333333333 0.66666666666667 12.011 > 3 34 C 0.66666666666667 0.33333333333333 0.66666666666667 12.011 > 3 35 C 0.16666666666667 0.83333333333333 0.66666666666667 12.011 > 3 36 C 0.66666666666667 0.83333333333333 0.66666666666667 12.011 > 3 *37 Al 0.33333333333333 0.16666666666667 0.20338309621967 26.982 > 4 38 Al 0.83333333333333 0.16666666666667 0.20338309621967 26.982 > 4 39 Al 0.33333333333333 0.66666666666667 0.20338309621967 26.982 > 4 40 Al 0.83333333333333 0.66666666666667 0.20338309621967 26.982 > 4 41 Al 0.00000000000000 0.00000000000000 0.12995023711366 26.982 > 5 42 Al 0.50000000000000 0.00000000000000 0.12995023711366 26.982 > 5 43 Al 0.00000000000000 0.50000000000000 0.12995023711366 26.982 > 5 44 Al 0.50000000000000 0.50000000000000 0.12995023711366 26.982 > 5 *45 Al 0.33333333333333 0.16666666666667 0.03984567038119 26.982 > 6 46 Al 0.83333333333333 0.16666666666667 0.03984567038119 26.982 > 6 47 Al 0.33333333333333 0.66666666666667 0.03984567038119 26.982 > 6 48 Al 0.83333333333333 0.66666666666667 0.03984567038119 26.982 > 6 49 Al 0.00000000000000 0.00000000000000 0.29348766295214 26.982 > 7 50 Al 0.50000000000000 0.00000000000000 0.29348766295214 26.982 > 7 51 Al 0.00000000000000 0.50000000000000 0.29348766295214 26.982 > 7 52 Al 0.50000000000000 0.50000000000000 0.29348766295214 26.982 > 7 53 Al 0.16666666666667 0.33333333333333 0.53671642955300 26.982 > 4 54 Al 0.66666666666667 0.33333333333333 0.53671642955300 26.982 > 4 55 Al 0.16666666666667 0.83333333333333 0.53671642955300 26.982 > 4 56 Al 0.66666666666667 0.83333333333333 0.53671642955300 26.982 > 4 57 Al 0.33333333333333 0.16666666666667 0.46328357044700 26.982 > 5 58 Al 0.83333333333333 0.16666666666667 0.46328357044700 26.982 > 5 59 Al 0.33333333333333 0.66666666666667 0.46328357044700 26.982 > 5 60 Al 0.83333333333333 0.66666666666667 0.46328357044700 26.982 > 5 61 Al 0.16666666666667 0.33333333333333 0.37317900371453 26.982 > 6 62 Al 0.66666666666667 0.33333333333333 0.37317900371453 26.982 > 6 63 Al 0.16666666666667 0.83333333333333 0.37317900371453 26.982 > 6 64 Al 0.66666666666667 0.83333333333333 0.37317900371453 26.982 > 6 65 Al 0.33333333333333 0.16666666666667 0.62682099628547 26.982 > 7 66 Al 0.83333333333333 0.16666666666667 0.62682099628547 26.982 > 7 67 Al 0.33333333333333 0.66666666666667 0.62682099628547 26.982 > 7 68 Al 0.83333333333333 0.66666666666667 0.62682099628547 26.982 > 7 69 Al 0.00000000000000 0.00000000000000 0.87004976288634 26.982 > 4 70 Al 0.50000000000000 0.00000000000000 0.87004976288634 26.982 > 4 71 Al 0.00000000000000 0.50000000000000 0.87004976288634 26.982 > 4 72 Al 0.50000000000000 0.50000000000000 0.87004976288634 26.982 > 4 73 Al 0.16666666666667 0.33333333333333 0.79661690378033 26.982 > 5 74 Al 0.66666666666667 0.33333333333333 0.79661690378033 26.982 > 5 75 Al 0.16666666666667 0.83333333333333 0.79661690378033 26.982 > 5 76 Al 0.66666666666667 0.83333333333333 0.79661690378033 26.982 > 5 77 Al 0.00000000000000 0.00000000000000 0.70651233704786 26.982 > 6 78 Al 0.50000000000000 0.00000000000000 0.70651233704786 26.982 > 6 79 Al 0.00000000000000 0.50000000000000 0.70651233704786 26.982 > 6 80 Al 0.50000000000000 0.50000000000000 0.70651233704786 26.982 > 6 81 Al 0.16666666666667 0.33333333333333 0.96015432961880 26.982 > 7 82 Al 0.66666666666667 0.33333333333333 0.96015432961880 26.982 > 7 83 Al 0.16666666666667 0.83333333333333 0.96015432961880 26.982 > 7 84 Al 0.66666666666667 0.83333333333333 0.96015432961880 26.982 > 7 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.9204724 0.0000000 0.0000000 0.0000000 7.9204724 0.0000000 0.0000000 0.0000000 9.0189052 -------------------------- Born effective charges -------------------------- 1 C -2.8225974 -0.0000000 0.0000000 0.0000000 -2.8225974 0.0000000 0.0000000 0.0000000 -3.6790914 2 C -2.8225974 -0.0000000 0.0000000 0.0000000 -2.8225974 0.0000000 0.0000000 0.0000000 -3.6790914 3 C -4.0234049 -0.0000000 0.0000000 0.0000000 -4.0234049 0.0000000 0.0000000 0.0000000 -3.2822647 4 Al 2.2841149 0.0000000 0.0000000 0.0000000 2.2841149 0.0000000 0.0000000 0.0000000 2.5123355 5 Al 2.2841149 0.0000000 0.0000000 0.0000000 2.2841149 0.0000000 0.0000000 0.0000000 2.5123355 6 Al 2.5501849 0.0000000 0.0000000 0.0000000 2.5501849 0.0000000 0.0000000 0.0000000 2.8078883 7 Al 2.5501849 0.0000000 0.0000000 0.0000000 2.5501849 0.0000000 0.0000000 0.0000000 2.8078883 ---------------------------------------------------------------------------- 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: 252/252 Permutation basis: 3630/3630 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 294 Number of blocks in projector: 324 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 7 --- Eigsh_solver_block: 1 / 7 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 2 / 7 --- Block_size: 88 Use standard eigh solver. --- Eigsh_solver_block: 3 / 7 --- Block_size: 70 Use standard eigh solver. --- Eigsh_solver_block: 4 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 7 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (294, 286), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (70, 70), data: True |-- (88, 84), data: True |-- (132, 128), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 80 / 80 - Time: 0.157 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.162 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 252/252 Permutation basis: 3630/3630 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 294 Number of blocks in projector: 324 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 7 --- Eigsh_solver_block: 1 / 7 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 2 / 7 --- Block_size: 88 Use standard eigh solver. --- Eigsh_solver_block: 3 / 7 --- Block_size: 70 Use standard eigh solver. --- Eigsh_solver_block: 4 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 7 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (294, 286), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (70, 70), data: True |-- (88, 84), data: True |-- (132, 128), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 18:54:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:54:07]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.669376353549216 0.963814887100434 8.328003973333324 b -1.669376353549213 0.963814887100434 8.328003973333324 c 0.000000000000002 -1.927629774200870 8.328003973333324 Atomic positions (fractional): 1 C 0.78335596637800 0.78335596637800 0.78335596637800 12.011 2 C 0.21664403362200 0.21664403362200 0.21664403362200 12.011 3 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 4 Al 0.87004976288634 0.87004976288634 0.87004976288634 26.982 5 Al 0.12995023711366 0.12995023711366 0.12995023711366 26.982 6 Al 0.70651233704786 0.70651233704786 0.70651233704786 26.982 7 Al 0.29348766295214 0.29348766295214 0.29348766295214 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.677505414196858 0.000000000000000 0.000000000000000 b -3.338752707098430 5.782889322602608 0.000000000000000 c 0.000000000000000 0.000000000000000 24.984011920000000 Atomic positions (fractional): 1 C 0.33333333333333 0.16666666666667 0.11668929971133 12.011 > 1 2 C 0.83333333333333 0.16666666666667 0.11668929971133 12.011 > 1 3 C 0.33333333333333 0.66666666666667 0.11668929971133 12.011 > 1 4 C 0.83333333333333 0.66666666666667 0.11668929971133 12.011 > 1 5 C 0.00000000000000 0.00000000000000 0.21664403362200 12.011 > 5 6 C 0.50000000000000 0.00000000000000 0.21664403362200 12.011 > 5 7 C 0.00000000000000 0.50000000000000 0.21664403362200 12.011 > 5 8 C 0.50000000000000 0.50000000000000 0.21664403362200 12.011 > 5 9 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 > 9 10 C 0.50000000000000 0.00000000000000 0.00000000000000 12.011 > 9 11 C 0.00000000000000 0.50000000000000 0.00000000000000 12.011 > 9 12 C 0.50000000000000 0.50000000000000 0.00000000000000 12.011 > 9 13 C 0.16666666666667 0.33333333333333 0.45002263304466 12.011 > 1 14 C 0.66666666666667 0.33333333333333 0.45002263304466 12.011 > 1 15 C 0.16666666666667 0.83333333333333 0.45002263304466 12.011 > 1 16 C 0.66666666666667 0.83333333333333 0.45002263304466 12.011 > 1 17 C 0.33333333333333 0.16666666666667 0.54997736695534 12.011 > 5 18 C 0.83333333333333 0.16666666666667 0.54997736695534 12.011 > 5 19 C 0.33333333333333 0.66666666666667 0.54997736695534 12.011 > 5 20 C 0.83333333333333 0.66666666666667 0.54997736695534 12.011 > 5 21 C 0.33333333333333 0.16666666666667 0.33333333333333 12.011 > 9 22 C 0.83333333333333 0.16666666666667 0.33333333333333 12.011 > 9 23 C 0.33333333333333 0.66666666666667 0.33333333333333 12.011 > 9 24 C 0.83333333333333 0.66666666666667 0.33333333333333 12.011 > 9 25 C 0.00000000000000 0.00000000000000 0.78335596637800 12.011 > 1 26 C 0.50000000000000 0.00000000000000 0.78335596637800 12.011 > 1 27 C 0.00000000000000 0.50000000000000 0.78335596637800 12.011 > 1 28 C 0.50000000000000 0.50000000000000 0.78335596637800 12.011 > 1 29 C 0.16666666666667 0.33333333333333 0.88331070028867 12.011 > 5 30 C 0.66666666666667 0.33333333333333 0.88331070028867 12.011 > 5 31 C 0.16666666666667 0.83333333333333 0.88331070028867 12.011 > 5 32 C 0.66666666666667 0.83333333333333 0.88331070028867 12.011 > 5 33 C 0.16666666666667 0.33333333333333 0.66666666666667 12.011 > 9 34 C 0.66666666666667 0.33333333333333 0.66666666666667 12.011 > 9 35 C 0.16666666666667 0.83333333333333 0.66666666666667 12.011 > 9 36 C 0.66666666666667 0.83333333333333 0.66666666666667 12.011 > 9 37 Al 0.33333333333333 0.16666666666667 0.20338309621967 26.982 > 37 38 Al 0.83333333333333 0.16666666666667 0.20338309621967 26.982 > 37 39 Al 0.33333333333333 0.66666666666667 0.20338309621967 26.982 > 37 40 Al 0.83333333333333 0.66666666666667 0.20338309621967 26.982 > 37 41 Al 0.00000000000000 0.00000000000000 0.12995023711366 26.982 > 41 42 Al 0.50000000000000 0.00000000000000 0.12995023711366 26.982 > 41 43 Al 0.00000000000000 0.50000000000000 0.12995023711366 26.982 > 41 44 Al 0.50000000000000 0.50000000000000 0.12995023711366 26.982 > 41 45 Al 0.33333333333333 0.16666666666667 0.03984567038119 26.982 > 45 46 Al 0.83333333333333 0.16666666666667 0.03984567038119 26.982 > 45 47 Al 0.33333333333333 0.66666666666667 0.03984567038119 26.982 > 45 48 Al 0.83333333333333 0.66666666666667 0.03984567038119 26.982 > 45 49 Al 0.00000000000000 0.00000000000000 0.29348766295214 26.982 > 49 50 Al 0.50000000000000 0.00000000000000 0.29348766295214 26.982 > 49 51 Al 0.00000000000000 0.50000000000000 0.29348766295214 26.982 > 49 52 Al 0.50000000000000 0.50000000000000 0.29348766295214 26.982 > 49 53 Al 0.16666666666667 0.33333333333333 0.53671642955300 26.982 > 37 54 Al 0.66666666666667 0.33333333333333 0.53671642955300 26.982 > 37 55 Al 0.16666666666667 0.83333333333333 0.53671642955300 26.982 > 37 56 Al 0.66666666666667 0.83333333333333 0.53671642955300 26.982 > 37 57 Al 0.33333333333333 0.16666666666667 0.46328357044700 26.982 > 41 58 Al 0.83333333333333 0.16666666666667 0.46328357044700 26.982 > 41 59 Al 0.33333333333333 0.66666666666667 0.46328357044700 26.982 > 41 60 Al 0.83333333333333 0.66666666666667 0.46328357044700 26.982 > 41 61 Al 0.16666666666667 0.33333333333333 0.37317900371453 26.982 > 45 62 Al 0.66666666666667 0.33333333333333 0.37317900371453 26.982 > 45 63 Al 0.16666666666667 0.83333333333333 0.37317900371453 26.982 > 45 64 Al 0.66666666666667 0.83333333333333 0.37317900371453 26.982 > 45 65 Al 0.33333333333333 0.16666666666667 0.62682099628547 26.982 > 49 66 Al 0.83333333333333 0.16666666666667 0.62682099628547 26.982 > 49 67 Al 0.33333333333333 0.66666666666667 0.62682099628547 26.982 > 49 68 Al 0.83333333333333 0.66666666666667 0.62682099628547 26.982 > 49 69 Al 0.00000000000000 0.00000000000000 0.87004976288634 26.982 > 37 70 Al 0.50000000000000 0.00000000000000 0.87004976288634 26.982 > 37 71 Al 0.00000000000000 0.50000000000000 0.87004976288634 26.982 > 37 72 Al 0.50000000000000 0.50000000000000 0.87004976288634 26.982 > 37 73 Al 0.16666666666667 0.33333333333333 0.79661690378033 26.982 > 41 74 Al 0.66666666666667 0.33333333333333 0.79661690378033 26.982 > 41 75 Al 0.16666666666667 0.83333333333333 0.79661690378033 26.982 > 41 76 Al 0.66666666666667 0.83333333333333 0.79661690378033 26.982 > 41 77 Al 0.00000000000000 0.00000000000000 0.70651233704786 26.982 > 45 78 Al 0.50000000000000 0.00000000000000 0.70651233704786 26.982 > 45 79 Al 0.00000000000000 0.50000000000000 0.70651233704786 26.982 > 45 80 Al 0.50000000000000 0.50000000000000 0.70651233704786 26.982 > 45 81 Al 0.16666666666667 0.33333333333333 0.96015432961880 26.982 > 49 82 Al 0.66666666666667 0.33333333333333 0.96015432961880 26.982 > 49 83 Al 0.16666666666667 0.83333333333333 0.96015432961880 26.982 > 49 84 Al 0.66666666666667 0.83333333333333 0.96015432961880 26.982 > 49 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.9204724 0.0000000 0.0000000 0.0000000 7.9204724 0.0000000 0.0000000 0.0000000 9.0189052 -------------------------- Born effective charges -------------------------- 1 C -2.8225974 -0.0000000 0.0000000 0.0000000 -2.8225974 0.0000000 0.0000000 0.0000000 -3.6790914 2 C -2.8225974 -0.0000000 0.0000000 0.0000000 -2.8225974 0.0000000 0.0000000 0.0000000 -3.6790914 3 C -4.0234049 -0.0000000 0.0000000 0.0000000 -4.0234049 0.0000000 0.0000000 0.0000000 -3.2822647 4 Al 2.2841149 0.0000000 0.0000000 0.0000000 2.2841149 0.0000000 0.0000000 0.0000000 2.5123355 5 Al 2.2841149 0.0000000 0.0000000 0.0000000 2.2841149 0.0000000 0.0000000 0.0000000 2.5123355 6 Al 2.5501849 0.0000000 0.0000000 0.0000000 2.5501849 0.0000000 0.0000000 0.0000000 2.8078883 7 Al 2.5501849 0.0000000 0.0000000 0.0000000 2.5501849 0.0000000 0.0000000 0.0000000 2.8078883 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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: 0.00000019 (yzy) 0.00000019 (yzy) 0.00000019 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:54:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:54:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.669376353549216 0.963814887100434 8.328003973333324 b -1.669376353549213 0.963814887100434 8.328003973333324 c 0.000000000000002 -1.927629774200870 8.328003973333324 Atomic positions (fractional): 1 C 0.78335596637800 0.78335596637800 0.78335596637800 12.011 2 C 0.21664403362200 0.21664403362200 0.21664403362200 12.011 3 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 4 Al 0.87004976288634 0.87004976288634 0.87004976288634 26.982 5 Al 0.12995023711366 0.12995023711366 0.12995023711366 26.982 6 Al 0.70651233704786 0.70651233704786 0.70651233704786 26.982 7 Al 0.29348766295214 0.29348766295214 0.29348766295214 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.677505414196858 0.000000000000000 0.000000000000000 b -3.338752707098430 5.782889322602608 0.000000000000000 c 0.000000000000000 0.000000000000000 24.984011920000000 Atomic positions (fractional): 1 C 0.33333333333333 0.16666666666667 0.11668929971133 12.011 > 1 2 C 0.83333333333333 0.16666666666667 0.11668929971133 12.011 > 1 3 C 0.33333333333333 0.66666666666667 0.11668929971133 12.011 > 1 4 C 0.83333333333333 0.66666666666667 0.11668929971133 12.011 > 1 5 C 0.00000000000000 0.00000000000000 0.21664403362200 12.011 > 5 6 C 0.50000000000000 0.00000000000000 0.21664403362200 12.011 > 5 7 C 0.00000000000000 0.50000000000000 0.21664403362200 12.011 > 5 8 C 0.50000000000000 0.50000000000000 0.21664403362200 12.011 > 5 9 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 > 9 10 C 0.50000000000000 0.00000000000000 0.00000000000000 12.011 > 9 11 C 0.00000000000000 0.50000000000000 0.00000000000000 12.011 > 9 12 C 0.50000000000000 0.50000000000000 0.00000000000000 12.011 > 9 13 C 0.16666666666667 0.33333333333333 0.45002263304466 12.011 > 1 14 C 0.66666666666667 0.33333333333333 0.45002263304466 12.011 > 1 15 C 0.16666666666667 0.83333333333333 0.45002263304466 12.011 > 1 16 C 0.66666666666667 0.83333333333333 0.45002263304466 12.011 > 1 17 C 0.33333333333333 0.16666666666667 0.54997736695534 12.011 > 5 18 C 0.83333333333333 0.16666666666667 0.54997736695534 12.011 > 5 19 C 0.33333333333333 0.66666666666667 0.54997736695534 12.011 > 5 20 C 0.83333333333333 0.66666666666667 0.54997736695534 12.011 > 5 21 C 0.33333333333333 0.16666666666667 0.33333333333333 12.011 > 9 22 C 0.83333333333333 0.16666666666667 0.33333333333333 12.011 > 9 23 C 0.33333333333333 0.66666666666667 0.33333333333333 12.011 > 9 24 C 0.83333333333333 0.66666666666667 0.33333333333333 12.011 > 9 25 C 0.00000000000000 0.00000000000000 0.78335596637800 12.011 > 1 26 C 0.50000000000000 0.00000000000000 0.78335596637800 12.011 > 1 27 C 0.00000000000000 0.50000000000000 0.78335596637800 12.011 > 1 28 C 0.50000000000000 0.50000000000000 0.78335596637800 12.011 > 1 29 C 0.16666666666667 0.33333333333333 0.88331070028867 12.011 > 5 30 C 0.66666666666667 0.33333333333333 0.88331070028867 12.011 > 5 31 C 0.16666666666667 0.83333333333333 0.88331070028867 12.011 > 5 32 C 0.66666666666667 0.83333333333333 0.88331070028867 12.011 > 5 33 C 0.16666666666667 0.33333333333333 0.66666666666667 12.011 > 9 34 C 0.66666666666667 0.33333333333333 0.66666666666667 12.011 > 9 35 C 0.16666666666667 0.83333333333333 0.66666666666667 12.011 > 9 36 C 0.66666666666667 0.83333333333333 0.66666666666667 12.011 > 9 37 Al 0.33333333333333 0.16666666666667 0.20338309621967 26.982 > 37 38 Al 0.83333333333333 0.16666666666667 0.20338309621967 26.982 > 37 39 Al 0.33333333333333 0.66666666666667 0.20338309621967 26.982 > 37 40 Al 0.83333333333333 0.66666666666667 0.20338309621967 26.982 > 37 41 Al 0.00000000000000 0.00000000000000 0.12995023711366 26.982 > 41 42 Al 0.50000000000000 0.00000000000000 0.12995023711366 26.982 > 41 43 Al 0.00000000000000 0.50000000000000 0.12995023711366 26.982 > 41 44 Al 0.50000000000000 0.50000000000000 0.12995023711366 26.982 > 41 45 Al 0.33333333333333 0.16666666666667 0.03984567038119 26.982 > 45 46 Al 0.83333333333333 0.16666666666667 0.03984567038119 26.982 > 45 47 Al 0.33333333333333 0.66666666666667 0.03984567038119 26.982 > 45 48 Al 0.83333333333333 0.66666666666667 0.03984567038119 26.982 > 45 49 Al 0.00000000000000 0.00000000000000 0.29348766295214 26.982 > 49 50 Al 0.50000000000000 0.00000000000000 0.29348766295214 26.982 > 49 51 Al 0.00000000000000 0.50000000000000 0.29348766295214 26.982 > 49 52 Al 0.50000000000000 0.50000000000000 0.29348766295214 26.982 > 49 53 Al 0.16666666666667 0.33333333333333 0.53671642955300 26.982 > 37 54 Al 0.66666666666667 0.33333333333333 0.53671642955300 26.982 > 37 55 Al 0.16666666666667 0.83333333333333 0.53671642955300 26.982 > 37 56 Al 0.66666666666667 0.83333333333333 0.53671642955300 26.982 > 37 57 Al 0.33333333333333 0.16666666666667 0.46328357044700 26.982 > 41 58 Al 0.83333333333333 0.16666666666667 0.46328357044700 26.982 > 41 59 Al 0.33333333333333 0.66666666666667 0.46328357044700 26.982 > 41 60 Al 0.83333333333333 0.66666666666667 0.46328357044700 26.982 > 41 61 Al 0.16666666666667 0.33333333333333 0.37317900371453 26.982 > 45 62 Al 0.66666666666667 0.33333333333333 0.37317900371453 26.982 > 45 63 Al 0.16666666666667 0.83333333333333 0.37317900371453 26.982 > 45 64 Al 0.66666666666667 0.83333333333333 0.37317900371453 26.982 > 45 65 Al 0.33333333333333 0.16666666666667 0.62682099628547 26.982 > 49 66 Al 0.83333333333333 0.16666666666667 0.62682099628547 26.982 > 49 67 Al 0.33333333333333 0.66666666666667 0.62682099628547 26.982 > 49 68 Al 0.83333333333333 0.66666666666667 0.62682099628547 26.982 > 49 69 Al 0.00000000000000 0.00000000000000 0.87004976288634 26.982 > 37 70 Al 0.50000000000000 0.00000000000000 0.87004976288634 26.982 > 37 71 Al 0.00000000000000 0.50000000000000 0.87004976288634 26.982 > 37 72 Al 0.50000000000000 0.50000000000000 0.87004976288634 26.982 > 37 73 Al 0.16666666666667 0.33333333333333 0.79661690378033 26.982 > 41 74 Al 0.66666666666667 0.33333333333333 0.79661690378033 26.982 > 41 75 Al 0.16666666666667 0.83333333333333 0.79661690378033 26.982 > 41 76 Al 0.66666666666667 0.83333333333333 0.79661690378033 26.982 > 41 77 Al 0.00000000000000 0.00000000000000 0.70651233704786 26.982 > 45 78 Al 0.50000000000000 0.00000000000000 0.70651233704786 26.982 > 45 79 Al 0.00000000000000 0.50000000000000 0.70651233704786 26.982 > 45 80 Al 0.50000000000000 0.50000000000000 0.70651233704786 26.982 > 45 81 Al 0.16666666666667 0.33333333333333 0.96015432961880 26.982 > 49 82 Al 0.66666666666667 0.33333333333333 0.96015432961880 26.982 > 49 83 Al 0.16666666666667 0.83333333333333 0.96015432961880 26.982 > 49 84 Al 0.66666666666667 0.83333333333333 0.96015432961880 26.982 > 49 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.9204724 0.0000000 0.0000000 0.0000000 7.9204724 0.0000000 0.0000000 0.0000000 9.0189052 -------------------------- Born effective charges -------------------------- 1 C -2.8225974 -0.0000000 0.0000000 0.0000000 -2.8225974 0.0000000 0.0000000 0.0000000 -3.6790914 2 C -2.8225974 -0.0000000 0.0000000 0.0000000 -2.8225974 0.0000000 0.0000000 0.0000000 -3.6790914 3 C -4.0234049 -0.0000000 0.0000000 0.0000000 -4.0234049 0.0000000 0.0000000 0.0000000 -3.2822647 4 Al 2.2841149 0.0000000 0.0000000 0.0000000 2.2841149 0.0000000 0.0000000 0.0000000 2.5123355 5 Al 2.2841149 0.0000000 0.0000000 0.0000000 2.2841149 0.0000000 0.0000000 0.0000000 2.5123355 6 Al 2.5501849 0.0000000 0.0000000 0.0000000 2.5501849 0.0000000 0.0000000 0.0000000 2.8078883 7 Al 2.5501849 0.0000000 0.0000000 0.0000000 2.5501849 0.0000000 0.0000000 0.0000000 2.8078883 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000019 (yzy) 0.00000019 (yzy) 0.00000019 (yyz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- 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 ... [ 17 17 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: 0.96, Number of G-points: 311, Lambda: 0.29 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/489) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 489 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 5.030 ( 0.000 0.000 0.000) 0.000 5.030 ( 0.000 0.000 0.000) 0.000 7.528 ( 0.000 0.000 0.000) 0.000 7.528 ( 0.000 0.000 0.000) 0.000 8.518 ( 0.000 0.000 0.000) 0.000 8.518 ( 0.000 0.000 0.000) 0.000 9.786 ( 0.000 0.000 0.000) 0.000 10.431 ( 0.000 0.000 0.000) 0.000 12.796 ( 0.000 0.000 0.000) 0.000 12.796 ( 0.000 0.000 0.000) 0.000 14.531 ( 0.000 0.000 0.000) 0.000 16.536 ( 0.000 0.000 0.000) 0.000 21.406 ( 0.000 0.000 0.000) 0.000 21.732 ( 0.000 0.000 0.000) 0.000 21.732 ( 0.000 0.000 0.000) 0.000 21.956 ( 0.000 0.000 0.000) 0.000 21.956 ( 0.000 0.000 0.000) 0.000 25.735 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/489) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 42.238 24.386 11.485) 50.106 1.304 ( 54.627 31.539 6.901) 63.455 2.109 ( 87.295 50.400 11.560) 101.460 5.135 ( 9.052 5.226 -4.698) 11.460 5.459 ( 24.869 14.358 -2.395) 28.816 7.483 ( -3.889 -2.245 0.570) 4.526 7.572 ( 3.205 1.850 4.038) 5.477 8.551 ( 3.190 1.842 -1.313) 3.911 8.690 ( 14.078 8.128 -0.733) 16.272 10.003 ( 17.108 9.877 1.140) 19.788 10.435 ( 0.546 0.315 4.651) 4.693 12.818 ( 1.815 1.048 0.384) 2.131 14.413 ( -8.554 -4.938 -7.491) 12.396 15.853 ( 20.228 11.679 -67.946) 71.848 16.514 ( -14.179 -8.186 56.388) 58.717 21.141 ( -15.514 -8.957 11.007) 21.025 21.736 ( 0.386 0.223 -0.341) 0.562 21.949 ( -0.591 -0.341 -0.049) 0.684 22.021 ( 15.659 9.041 0.985) 18.108 25.227 ( -8.629 -4.982 0.618) 9.983 25.698 ( -3.195 -1.844 -1.294) 3.909 ======================= Grid point 2 (3/489) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 39.359 22.724 12.298) 47.083 2.592 ( 53.453 30.861 6.321) 62.045 4.113 ( 79.733 46.034 10.788) 92.698 5.402 ( 14.294 8.253 -9.981) 19.288 6.192 ( 35.161 20.300 0.246) 40.602 7.367 ( -4.833 -2.790 -2.726) 6.210 7.685 ( 4.952 2.859 8.653) 10.371 8.676 ( 8.123 4.690 -2.982) 9.842 9.111 ( 19.985 11.538 1.670) 23.137 10.454 ( 11.985 6.919 -12.924) 18.935 10.676 ( 30.113 17.386 8.219) 35.730 12.880 ( 3.231 1.865 0.729) 3.801 14.127 ( -13.703 -7.911 -8.310) 17.872 16.172 ( -2.260 -1.305 -12.564) 12.832 16.310 ( 7.282 4.204 6.045) 10.356 20.851 ( -11.031 -6.369 12.306) 17.711 21.749 ( 0.772 0.446 -0.516) 1.030 21.928 ( -1.106 -0.639 -0.144) 1.285 22.359 ( 12.312 7.108 0.717) 14.234 24.945 ( -15.025 -8.675 0.492) 17.356 25.571 ( -7.361 -4.250 -1.902) 8.710 ======================= Grid point 3 (4/489) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( 35.176 20.309 13.519) 42.809 3.835 ( 50.913 29.394 5.629) 59.058 5.718 ( 14.318 8.267 -15.350) 22.560 5.760 ( 51.997 30.021 12.164) 61.261 7.064 ( 40.121 23.164 -0.802) 46.334 7.306 ( 3.477 2.008 -6.132) 7.330 7.842 ( 6.276 3.623 12.373) 14.339 8.921 ( 13.279 7.667 -4.142) 15.883 9.566 ( 16.571 9.567 8.756) 21.043 10.794 ( 22.577 13.035 -8.462) 27.409 11.614 ( 45.281 26.143 -6.444) 52.682 12.969 ( 4.149 2.395 1.000) 4.894 13.753 ( -16.005 -9.241 -5.986) 19.426 15.825 ( -16.999 -9.814 3.272) 19.899 16.740 ( 20.590 11.888 -10.150) 25.851 20.689 ( -5.491 -3.170 14.124) 15.481 21.769 ( 1.048 0.605 -0.480) 1.302 21.898 ( -1.395 -0.805 -0.259) 1.631 22.589 ( 7.087 4.091 0.372) 8.191 24.540 ( -19.176 -11.071 0.105) 22.143 25.343 ( -11.636 -6.718 -2.065) 13.594 ======================= Grid point 4 (5/489) ======================= q-point: ( 0.24 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.735 ( 30.184 17.427 14.916) 37.911 4.999 ( 46.915 27.086 5.062) 54.408 5.979 ( 11.163 6.445 -19.035) 22.988 6.425 ( 6.468 3.734 22.222) 23.444 7.395 ( 11.075 6.394 -37.522) 39.642 8.036 ( 7.550 4.359 12.849) 15.528 8.316 ( 56.317 32.515 18.827) 67.700 9.262 ( 16.044 9.263 -3.971) 18.947 9.919 ( 12.174 7.029 13.280) 19.339 11.445 ( 30.729 17.741 -11.530) 37.309 12.628 ( 39.551 22.835 -16.717) 48.633 13.076 ( 4.692 2.709 1.167) 5.542 13.426 ( -7.669 -4.428 3.553) 9.541 15.490 ( -9.581 -5.531 -2.880) 11.431 17.168 ( 16.949 9.786 -4.418) 20.064 20.650 ( -0.798 -0.461 13.910) 13.940 21.790 ( 0.554 0.320 -0.461) 0.788 21.868 ( -0.806 -0.465 -0.175) 0.947 22.696 ( 2.174 1.255 0.118) 2.513 24.061 ( -21.348 -12.325 -0.098) 24.650 25.019 ( -15.409 -8.896 -1.996) 17.904 ======================= Grid point 5 (6/489) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.416 ( 24.641 14.226 16.016) 32.651 6.052 ( 41.461 23.937 5.268) 48.164 6.157 ( 8.113 4.684 -19.984) 22.071 6.472 ( -3.516 -2.030 20.338) 20.739 7.546 ( 8.362 4.828 -32.037) 33.460 8.238 ( 6.857 3.959 10.021) 12.771 9.530 ( 36.416 21.025 15.327) 44.756 9.634 ( 15.879 9.168 -2.841) 18.554 10.317 ( 24.414 14.095 12.573) 30.868 11.838 ( 0.042 0.024 -16.873) 16.873 13.193 ( 4.880 2.818 1.196) 5.761 13.301 ( 27.270 15.745 -18.353) 36.447 13.601 ( 15.834 9.142 12.431) 22.109 15.483 ( 12.244 7.069 -8.408) 16.449 17.506 ( 12.176 7.030 0.265) 14.062 20.707 ( 2.870 1.657 11.408) 11.879 21.780 ( -1.209 -0.698 -0.734) 1.577 21.873 ( 1.102 0.636 0.309) 1.310 22.706 ( -0.896 -0.518 0.412) 1.114 23.549 ( -21.958 -12.677 -0.105) 25.355 24.616 ( -18.312 -10.573 -1.786) 21.220 ======================= Grid point 6 (7/489) ======================= q-point: ( 0.35 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.962 ( 18.519 10.692 15.833) 26.607 6.277 ( 6.115 3.530 -18.408) 19.716 6.418 ( -4.157 -2.400 16.396) 17.084 6.957 ( 33.875 19.558 6.012) 39.575 7.649 ( 6.830 3.943 -26.333) 27.489 8.389 ( 4.207 2.429 6.054) 7.762 9.975 ( 13.249 7.649 -1.555) 15.378 10.005 ( 7.749 4.474 14.923) 17.400 11.172 ( 38.875 22.445 8.516) 45.690 11.526 ( -17.861 -10.312 -17.336) 26.942 13.307 ( 4.474 2.583 1.053) 5.272 13.552 ( -3.092 -1.785 3.106) 4.732 14.316 ( 40.471 23.366 -4.796) 46.977 15.950 ( 25.015 14.443 -12.051) 31.298 17.746 ( 8.028 4.635 4.387) 10.255 20.836 ( 6.312 3.644 7.379) 10.372 21.745 ( -1.453 -0.839 -0.732) 1.830 21.906 ( 1.468 0.847 0.522) 1.773 22.680 ( -1.152 -0.665 2.377) 2.724 23.038 ( -21.237 -12.261 -1.128) 24.549 24.161 ( -19.771 -11.415 -1.482) 22.877 ======================= Grid point 7 (8/489) ======================= q-point: ( 0.41 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.352 ( 11.613 6.705 12.660) 18.441 6.360 ( 4.243 2.450 -13.845) 14.686 6.365 ( -2.947 -1.702 10.311) 10.858 7.573 ( 12.048 6.956 7.339) 15.729 7.828 ( 17.551 10.133 -20.053) 28.511 8.465 ( 1.551 0.895 2.801) 3.324 10.152 ( 3.137 1.811 15.572) 15.988 10.234 ( 8.743 5.048 -0.646) 10.117 11.037 ( -18.559 -10.715 -18.066) 28.029 11.992 ( 27.721 16.005 6.196) 32.604 13.401 ( 3.215 1.856 0.726) 3.782 13.414 ( -7.214 -4.165 3.120) 8.895 15.210 ( 33.814 19.523 -2.636) 39.134 16.429 ( 16.314 9.419 -12.520) 22.619 17.909 ( 4.661 2.691 6.497) 8.437 21.043 ( 10.246 5.916 3.148) 12.243 21.713 ( -1.040 -0.600 -0.529) 1.312 21.939 ( 1.102 0.636 0.461) 1.353 22.525 ( -19.593 -11.312 6.883) 23.648 22.719 ( 2.045 1.181 -4.806) 5.355 23.701 ( -18.588 -10.732 -1.074) 21.491 ======================= Grid point 8 (9/489) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.558 ( 3.961 2.287 5.044) 6.810 6.333 ( -1.065 -0.615 3.544) 3.752 6.408 ( 1.601 0.924 -5.345) 5.655 7.688 ( 1.545 0.892 -0.817) 1.962 8.197 ( 10.279 5.935 -3.748) 12.447 8.487 ( 0.244 0.141 0.748) 0.800 10.267 ( 3.831 2.212 13.746) 14.440 10.373 ( 3.050 1.761 -0.160) 3.525 10.627 ( -11.328 -6.540 -14.329) 19.402 12.462 ( 10.622 6.132 1.965) 12.421 13.280 ( -3.741 -2.160 1.283) 4.506 13.455 ( 1.176 0.679 0.260) 1.383 15.795 ( 14.117 8.151 -0.063) 16.301 16.638 ( 4.085 2.359 -6.296) 7.867 17.991 ( 1.316 0.760 3.353) 3.681 21.301 ( 9.244 5.337 0.297) 10.678 21.695 ( -0.373 -0.216 -0.193) 0.472 21.958 ( 0.405 0.234 0.182) 0.502 22.122 ( -12.659 -7.309 2.059) 14.762 22.818 ( 5.065 2.924 -0.569) 5.876 23.329 ( -11.012 -6.358 -0.458) 12.723 ======================= Grid point 18 (10/489) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 0.000 47.222 12.552) 48.862 1.320 ( 0.000 61.386 11.962) 62.541 2.173 ( 0.000 99.046 28.618) 103.098 5.139 ( -0.000 11.265 -3.775) 11.881 5.416 ( -0.000 27.299 -14.014) 30.686 7.525 ( 0.000 -2.494 11.811) 12.072 7.559 ( 0.000 2.681 0.343) 2.702 8.555 ( -0.000 4.026 -0.176) 4.030 8.690 ( -0.000 16.115 -0.808) 16.135 10.000 ( -0.000 16.570 -0.847) 16.591 10.451 ( 0.000 0.654 9.958) 9.980 12.815 ( -0.000 1.963 -0.470) 2.018 14.384 ( -0.000 -8.806 -16.858) 19.019 15.648 ( -0.000 34.943 -83.522) 90.537 16.681 ( 0.000 -24.426 65.104) 69.535 21.178 ( 0.000 -19.821 19.857) 28.057 21.738 ( 0.000 0.538 0.166) 0.563 21.949 ( 0.000 -0.659 0.111) 0.668 22.025 ( 0.000 17.972 2.110) 18.095 25.225 ( 0.000 -10.177 0.154) 10.178 25.693 ( -0.000 -3.639 -2.407) 4.363 ======================= Grid point 19 (11/489) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 26.038 40.373 13.665) 49.947 2.261 ( 31.287 52.185 8.261) 61.404 3.655 ( 45.106 82.039 24.237) 96.707 5.320 ( 6.205 15.425 -8.593) 18.716 5.899 ( 22.707 28.952 -15.044) 39.751 7.445 ( -6.788 -2.410 10.608) 12.822 7.670 ( 5.130 5.174 7.296) 10.311 8.666 ( 3.867 9.102 -1.980) 10.085 8.948 ( 11.062 16.935 -1.355) 20.273 10.322 ( 11.609 22.351 -18.709) 31.375 10.556 ( 7.650 11.744 15.511) 20.906 12.862 ( 2.255 3.105 -0.048) 3.838 14.180 ( -6.659 -11.631 -14.673) 19.873 15.971 ( 14.816 19.074 -35.535) 42.966 16.455 ( -11.321 -12.954 25.634) 30.872 20.960 ( -7.523 -13.338 18.258) 23.830 21.748 ( 0.286 1.018 -0.098) 1.062 21.937 ( -0.526 -0.762 0.032) 0.926 22.281 ( 7.601 13.466 1.774) 15.565 25.031 ( -7.654 -14.033 -0.046) 15.985 25.608 ( -3.579 -6.142 -2.909) 7.681 ======================= Grid point 20 (12/489) ======================= q-point: ( 0.18 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( 27.671 36.594 14.576) 48.138 3.405 ( 39.952 43.485 5.245) 59.284 5.307 ( 49.127 58.786 19.073) 78.950 5.592 ( 9.143 15.087 -14.133) 22.604 6.632 ( 32.865 23.621 -17.639) 44.149 7.341 ( -5.032 1.262 13.752) 14.698 7.854 ( 4.518 8.843 11.495) 15.190 8.868 ( 6.449 15.175 -4.491) 17.089 9.381 ( 18.451 13.590 2.529) 23.055 10.618 ( 11.217 14.887 -6.907) 19.878 11.210 ( 31.735 33.606 -5.223) 46.516 12.951 ( 3.092 4.818 0.449) 5.743 13.862 ( -11.209 -13.027 -10.002) 19.884 15.982 ( -11.990 -14.738 4.578) 19.542 16.528 ( 15.083 17.855 -13.599) 27.041 20.778 ( -5.746 -7.324 18.588) 20.789 21.769 ( 0.532 1.711 -0.240) 1.808 21.916 ( -1.132 -0.472 -0.127) 1.233 22.523 ( 6.591 7.546 1.127) 10.082 24.687 ( -13.257 -16.421 -0.449) 21.109 25.425 ( -7.642 -9.056 -2.864) 12.191 ======================= Grid point 21 (13/489) ======================= q-point: ( 0.24 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.576 ( 24.019 34.105 15.650) 44.554 4.545 ( 41.462 36.734 2.990) 55.474 5.829 ( 8.005 9.787 -17.711) 21.761 6.420 ( 18.536 24.227 18.471) 35.661 7.166 ( 10.333 6.132 -33.169) 35.278 7.804 ( 41.128 32.032 26.034) 58.269 8.052 ( 5.158 11.088 13.008) 17.853 9.184 ( 9.963 19.899 -5.228) 22.859 9.818 ( 14.083 11.052 9.984) 20.498 11.109 ( 24.943 21.638 -9.838) 34.455 12.158 ( 37.550 30.417 -15.206) 50.660 13.066 ( 3.035 6.693 0.530) 7.368 13.519 ( -10.018 -10.108 -1.792) 14.344 15.610 ( -12.797 -10.833 -1.849) 16.868 16.962 ( 16.973 13.435 -7.025) 22.758 20.698 ( -2.258 -3.262 17.775) 18.213 21.798 ( 0.308 2.335 -0.196) 2.363 21.890 ( -1.473 0.206 -0.199) 1.501 22.663 ( 3.331 2.477 0.353) 4.166 24.245 ( -16.727 -17.498 -0.625) 24.215 25.143 ( -11.450 -11.833 -2.604) 16.670 ======================= Grid point 22 (14/489) ======================= q-point: ( 0.29 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.326 ( 18.704 31.432 16.917) 40.299 5.602 ( 38.715 28.717 0.553) 48.206 5.988 ( 7.625 4.620 -17.561) 19.695 6.699 ( -5.422 12.062 21.942) 25.619 7.341 ( 11.523 6.085 -33.724) 36.154 8.207 ( 4.982 5.863 12.501) 14.679 9.105 ( 45.627 34.788 18.929) 60.418 9.578 ( 11.220 23.517 -4.059) 26.371 10.167 ( 11.831 11.470 12.968) 20.969 11.695 ( 16.046 10.339 -15.438) 24.550 12.921 ( 27.230 16.813 -24.831) 40.506 13.183 ( 2.916 6.859 0.200) 7.456 13.492 ( 9.763 7.394 14.611) 19.065 15.398 ( -0.193 -0.048 -8.156) 8.158 17.339 ( 14.299 7.905 -0.975) 16.367 20.707 ( 1.043 -0.865 14.805) 14.867 21.812 ( -1.552 1.983 -0.478) 2.563 21.881 ( -0.266 1.764 0.238) 1.800 22.700 ( 0.499 -1.019 -0.194) 1.151 23.753 ( -18.442 -17.466 -0.257) 25.402 24.774 ( -14.566 -14.111 -2.257) 20.405 ======================= Grid point 23 (15/489) ======================= q-point: ( 0.35 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.947 ( 12.642 28.209 17.797) 35.669 6.023 ( 7.145 -4.663 -13.466) 15.941 6.546 ( 26.483 21.481 -5.913) 34.609 6.768 ( -1.779 19.242 20.476) 28.155 7.497 ( 8.211 4.654 -27.845) 29.401 8.375 ( 4.293 5.457 8.861) 11.257 9.818 ( 10.154 12.347 3.128) 16.290 10.128 ( 9.074 28.659 9.396) 31.495 10.733 ( 35.709 19.158 12.517) 42.413 11.645 ( -11.487 -9.162 -19.182) 24.163 13.302 ( 3.146 6.752 1.810) 7.666 13.537 ( 13.887 11.551 -5.036) 18.753 13.874 ( 26.876 15.622 1.541) 31.124 15.637 ( 21.003 11.962 -12.698) 27.303 17.621 ( 11.105 3.063 3.917) 12.168 20.781 ( 4.267 0.287 10.180) 11.042 21.788 ( -2.817 1.815 -0.650) 3.414 21.909 ( 0.425 2.469 0.595) 2.575 22.679 ( -0.252 -2.125 -0.188) 2.148 23.248 ( -19.001 -16.510 0.473) 25.176 24.341 ( -16.633 -15.469 -1.857) 22.790 ======================= Grid point 24 (16/489) ======================= q-point: ( 0.41 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.422 ( 5.787 24.867 16.958) 30.650 6.032 ( 5.998 -9.854 -10.212) 15.406 6.722 ( -8.171 17.208 4.056) 19.477 7.397 ( 23.596 18.751 9.346) 31.555 7.619 ( 9.307 5.950 -25.570) 27.853 8.497 ( 0.863 6.233 4.579) 7.783 10.026 ( 4.756 3.702 5.206) 7.964 10.453 ( -2.299 25.888 7.017) 26.921 11.204 ( -16.743 -9.785 -21.187) 28.722 11.623 ( 33.709 15.031 13.645) 39.350 13.393 ( 0.281 1.628 2.799) 3.251 13.576 ( -7.515 6.688 3.928) 10.800 14.742 ( 40.100 20.645 -6.748) 45.604 16.141 ( 22.754 9.391 -13.450) 28.051 17.818 ( 8.376 -0.670 7.400) 11.197 20.914 ( 8.474 0.784 5.168) 9.957 21.753 ( -2.976 1.517 -0.538) 3.384 21.940 ( 0.355 1.901 0.500) 1.997 22.674 ( 1.650 -0.607 1.284) 2.178 22.758 ( -18.643 -14.152 0.078) 23.406 23.880 ( -16.953 -15.304 -1.378) 22.880 ======================= Grid point 25 (17/489) ======================= q-point: ( 0.47 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.728 ( -3.353 23.791 10.211) 26.106 5.999 ( 7.446 -15.384 -5.038) 17.819 6.759 ( -9.482 19.048 2.170) 21.388 7.645 ( 3.680 1.503 -4.419) 5.944 8.040 ( 17.814 14.747 -5.904) 23.868 8.551 ( -2.823 6.389 1.216) 7.090 10.120 ( 4.041 -2.083 6.129) 7.631 10.617 ( -6.712 15.112 3.949) 17.001 10.805 ( -15.743 4.483 -14.268) 21.715 12.251 ( 20.951 5.747 8.507) 23.331 13.328 ( -4.358 -4.350 3.902) 7.290 13.582 ( -6.058 14.225 0.996) 15.493 15.517 ( 27.683 12.095 -5.118) 30.640 16.482 ( 12.852 0.784 -9.176) 15.811 17.932 ( 4.999 -3.863 7.055) 9.471 21.122 ( 12.965 0.661 1.293) 13.046 21.703 ( -2.686 -2.134 -0.243) 3.439 21.964 ( 0.280 1.979 -0.108) 2.002 22.323 ( -16.604 -8.225 1.524) 18.592 22.750 ( 5.496 2.447 0.176) 6.019 23.453 ( -13.816 -12.811 -0.705) 18.854 ======================= Grid point 26 (18/489) ======================= q-point: (-0.47 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.793 ( -12.599 16.561 -11.591) 23.819 6.006 ( 9.103 -12.649 11.153) 19.164 6.777 ( -10.805 18.290 1.840) 21.323 7.685 ( 0.890 -0.049 -1.830) 2.036 8.301 ( -1.380 4.733 0.166) 4.932 8.545 ( -3.341 5.100 -1.581) 6.298 10.136 ( 1.176 -5.898 -4.295) 7.390 10.557 ( -0.300 3.057 0.660) 3.142 10.759 ( -12.766 24.495 2.245) 27.714 12.478 ( 2.127 -6.066 4.690) 7.957 13.255 ( -0.202 -0.890 1.797) 2.015 13.605 ( -8.008 13.570 0.076) 15.757 15.836 ( 2.291 -2.958 -5.675) 6.797 16.602 ( 5.131 -4.737 2.828) 7.534 17.949 ( 1.871 -6.059 1.580) 6.536 21.296 ( 3.469 -6.061 -0.099) 6.984 21.632 ( 3.081 -5.389 -0.123) 6.209 21.993 ( -1.352 3.082 -0.332) 3.382 22.093 ( -3.476 4.268 -1.296) 5.654 22.855 ( 0.037 0.092 0.820) 0.826 23.221 ( 2.237 -3.607 0.269) 4.253 ======================= Grid point 27 (19/489) ======================= q-point: (-0.41 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.622 ( -16.478 8.065 -17.331) 25.237 6.064 ( 5.407 -7.154 10.738) 13.990 6.757 ( -11.973 16.452 1.768) 20.424 7.653 ( -4.201 -1.930 -1.864) 4.985 8.095 ( -18.045 -6.865 9.071) 21.331 8.532 ( -4.200 4.578 -3.881) 7.325 10.065 ( -1.155 -2.760 -9.272) 9.742 10.590 ( -13.345 15.652 -3.391) 20.846 10.904 ( 9.479 13.029 13.205) 20.832 12.224 ( -17.660 -16.429 0.795) 24.133 13.314 ( 5.157 1.195 0.043) 5.294 13.576 ( -9.609 12.098 -0.754) 15.468 15.522 ( -22.509 -17.253 -3.390) 28.563 16.558 ( -5.645 -9.587 11.734) 16.169 17.892 ( -0.406 -7.044 -4.092) 8.156 21.113 ( -7.864 -11.307 -1.352) 13.839 21.705 ( 3.361 1.301 0.319) 3.619 21.964 ( -2.138 0.806 -0.214) 2.295 22.296 ( 14.942 9.913 -5.819) 18.852 22.761 ( -4.352 -3.269 3.117) 6.272 23.459 ( 18.177 5.641 0.833) 19.050 ======================= Grid point 28 (20/489) ======================= q-point: (-0.35 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.299 ( -23.274 5.267 -17.362) 29.510 6.099 ( 4.232 -6.926 7.535) 11.075 6.705 ( -11.970 14.817 -0.103) 19.049 7.331 ( -26.707 -10.775 -9.359) 30.281 7.799 ( -9.037 -4.502 24.837) 26.811 8.456 ( -6.134 0.738 -6.997) 9.334 9.984 ( -5.188 -0.389 -6.792) 8.556 10.410 ( -22.272 14.695 -5.111) 27.168 11.329 ( 19.037 9.641 13.010) 24.992 11.565 ( -32.706 -22.945 -1.768) 39.991 13.381 ( -1.060 0.004 -0.347) 1.116 13.556 ( -3.177 9.954 -1.724) 10.590 14.768 ( -36.400 -23.940 0.721) 43.573 16.233 ( -19.708 -14.802 12.167) 27.487 17.775 ( -3.193 -7.527 -4.395) 9.283 20.881 ( -6.350 -7.459 -4.278) 10.689 21.757 ( 0.225 3.352 0.701) 3.431 21.936 ( -1.887 0.604 -0.584) 2.066 22.622 ( 7.258 2.514 -10.280) 12.833 22.797 ( 14.417 5.000 8.075) 17.264 23.889 ( 21.884 7.095 1.111) 23.032 ======================= Grid point 29 (21/489) ======================= q-point: (-0.29 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.829 ( -30.283 2.839 -15.540) 34.155 6.096 ( 0.843 -7.810 5.621) 9.659 6.575 ( -36.101 -14.658 0.845) 38.973 6.649 ( -12.993 13.654 -10.354) 21.504 7.703 ( -6.811 -3.681 29.806) 30.795 8.303 ( -7.128 -2.920 -11.226) 13.614 9.788 ( -16.760 -2.920 -5.252) 17.804 10.078 ( -28.971 7.737 -4.960) 30.394 10.660 ( -36.178 -21.910 -7.725) 42.995 11.768 ( 14.307 5.234 14.779) 21.225 13.292 ( -7.379 0.299 -0.753) 7.423 13.559 ( -8.698 -1.056 2.205) 9.035 13.871 ( -33.923 -20.192 -0.149) 39.478 15.713 ( -21.659 -12.373 8.707) 26.420 17.602 ( -7.128 -7.774 -1.413) 10.641 20.718 ( -4.058 -4.021 -7.334) 9.297 21.793 ( -0.163 3.326 0.819) 3.429 21.905 ( -2.267 0.813 -0.573) 2.475 22.673 ( 2.619 -0.335 -1.936) 3.274 23.250 ( 23.534 7.937 0.818) 24.850 24.352 ( 21.871 6.721 1.282) 22.916 ======================= Grid point 30 (22/489) ======================= q-point: (-0.24 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.220 ( -36.577 0.056 -12.798) 38.752 5.578 ( -44.634 -17.734 -6.426) 48.456 6.099 ( -6.090 -5.021 13.240) 15.414 6.571 ( -10.322 10.809 -13.673) 20.257 7.580 ( -9.767 -7.626 33.396) 35.621 8.116 ( -7.263 -2.385 -12.941) 15.030 8.995 ( -55.187 -22.858 -11.881) 60.904 9.607 ( -25.605 3.173 4.139) 26.131 10.078 ( -16.225 -4.086 -12.263) 20.745 11.790 ( -18.373 -9.976 11.064) 23.654 13.062 ( -23.789 -14.171 13.174) 30.664 13.199 ( -10.818 -0.037 6.317) 12.528 13.393 ( -8.904 -3.777 -13.280) 16.429 15.441 ( -1.237 -0.298 3.959) 4.158 17.349 ( -12.571 -8.077 1.777) 15.047 20.621 ( -1.334 -1.642 -9.090) 9.332 21.816 ( -1.076 2.234 0.680) 2.571 21.879 ( -1.156 1.116 -0.241) 1.625 22.700 ( 0.715 -0.817 -0.375) 1.149 23.754 ( 24.421 7.293 -0.011) 25.486 24.787 ( 19.678 5.591 1.332) 20.501 ======================= Grid point 31 (23/489) ======================= q-point: (-0.18 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.486 ( -42.018 -2.734 -9.622) 43.192 4.519 ( -53.115 -16.403 -4.602) 55.780 5.935 ( -12.220 -3.361 11.805) 17.320 6.314 ( -28.864 -1.032 -11.088) 30.937 7.387 ( -7.971 -9.111 26.837) 29.441 7.651 ( -54.455 -21.702 -14.993) 60.507 7.971 ( -11.745 1.821 -9.173) 15.014 9.217 ( -22.387 1.642 4.101) 22.819 9.746 ( -15.658 -4.637 -10.488) 19.407 11.169 ( -31.539 -12.247 7.120) 34.575 12.235 ( -47.094 -18.254 6.617) 50.940 13.062 ( -7.644 0.975 -0.637) 7.732 13.532 ( 17.102 4.511 1.553) 17.755 15.615 ( 14.116 5.310 -0.182) 15.082 17.005 ( -18.051 -7.624 4.527) 20.111 20.603 ( 2.719 0.233 -8.585) 9.008 21.800 ( -2.154 0.787 0.374) 2.323 21.891 ( 0.619 1.345 0.158) 1.489 22.661 ( -3.947 -1.718 -0.072) 4.306 24.246 ( 23.523 5.905 -0.187) 24.254 25.156 ( 16.167 4.012 1.203) 16.701 ======================= Grid point 32 (24/489) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( -46.496 -4.189 -5.871) 47.052 3.376 ( -58.656 -11.774 -2.966) 59.899 5.227 ( -77.190 -14.800 -3.210) 78.662 5.668 ( -17.933 -2.321 7.031) 19.402 6.671 ( -37.358 -9.756 -7.441) 39.321 7.320 ( 2.032 -2.047 8.447) 8.926 7.794 ( -9.800 1.453 -5.123) 11.154 8.893 ( -16.644 1.475 2.579) 16.907 9.357 ( -19.514 -6.581 -4.172) 21.012 10.656 ( -17.471 -3.812 3.778) 18.276 11.233 ( -47.570 -11.074 1.119) 48.855 12.948 ( -5.736 0.036 -0.492) 5.757 13.909 ( 18.526 3.487 2.900) 19.073 15.954 ( 17.623 4.010 -2.989) 18.319 16.598 ( -21.352 -5.130 5.715) 22.691 20.690 ( 8.258 1.384 -5.529) 10.034 21.771 ( -1.689 0.227 0.290) 1.729 21.917 ( 0.963 0.675 0.111) 1.181 22.518 ( -10.029 -2.105 -0.120) 10.248 24.687 ( 20.722 3.539 -0.257) 21.024 25.438 ( 11.869 2.084 0.805) 12.077 ======================= Grid point 33 (25/489) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( -49.325 -0.000 0.000) 49.325 2.233 ( -62.356 -0.000 0.000) 62.356 3.568 ( -95.777 -0.000 0.000) 95.777 5.351 ( -16.469 -0.000 0.000) 16.469 5.954 ( -36.893 -0.000 0.000) 36.893 7.404 ( 5.919 0.000 -0.000) 5.919 7.644 ( -6.713 -0.000 0.000) 6.713 8.673 ( -9.867 -0.000 0.000) 9.867 8.952 ( -20.324 -0.000 0.000) 20.324 10.425 ( -35.811 -0.000 0.000) 35.811 10.463 ( -4.843 -0.000 0.000) 4.843 12.862 ( -3.805 -0.000 0.000) 3.805 14.232 ( 15.014 0.000 -0.000) 15.014 16.206 ( -20.172 -0.000 0.000) 20.172 16.260 ( 14.556 0.000 -0.000) 14.556 20.892 ( 14.084 0.000 -0.000) 14.084 21.748 ( -1.005 -0.000 0.000) 1.005 21.937 ( 0.913 0.000 -0.000) 0.913 22.275 ( -15.640 -0.000 0.000) 15.640 25.031 ( 15.808 0.000 -0.000) 15.808 25.618 ( 7.278 0.000 -0.000) 7.278 ======================= Grid point 36 (26/489) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 0.000 43.304 11.897) 44.909 2.594 ( 0.000 58.765 8.085) 59.319 4.263 ( 0.000 91.020 30.279) 95.925 5.433 ( -0.000 19.261 -6.001) 20.174 5.956 ( -0.000 31.350 -27.662) 41.809 7.617 ( 0.000 5.511 26.738) 27.300 7.622 ( 0.000 3.071 0.126) 3.074 8.697 ( -0.000 10.223 -0.053) 10.223 9.059 ( -0.000 18.513 -6.422) 19.595 10.440 ( -0.000 24.057 -14.717) 28.202 10.689 ( 0.000 26.177 9.823) 27.959 12.869 ( -0.000 3.555 -0.706) 3.625 14.069 ( -0.000 -13.801 -16.014) 21.140 15.964 ( -0.000 13.498 -19.752) 23.924 16.480 ( 0.000 -6.784 9.786) 11.908 20.924 ( 0.000 -14.083 20.651) 24.995 21.755 ( 0.000 1.007 0.332) 1.060 21.930 ( 0.000 -1.236 0.145) 1.244 22.370 ( 0.000 14.171 2.370) 14.368 24.934 ( -0.000 -17.789 -0.993) 17.817 25.559 ( -0.000 -8.249 -3.392) 8.919 ======================= Grid point 37 (27/489) ======================= q-point: ( 0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( 22.079 39.258 12.163) 46.654 3.376 ( 19.877 53.041 4.335) 56.809 5.397 ( 22.100 67.527 24.535) 75.168 5.649 ( 2.580 21.625 -9.368) 23.708 6.379 ( 18.777 31.749 -25.656) 44.931 7.542 ( -8.147 5.435 13.810) 16.931 7.883 ( 7.001 10.949 19.273) 23.245 8.899 ( 7.436 14.778 -1.926) 16.655 9.275 ( 8.651 15.780 -7.509) 19.500 10.667 ( 3.244 21.010 -2.520) 21.408 11.190 ( 13.760 44.101 -7.063) 46.734 12.941 ( 3.416 4.726 -0.377) 5.844 13.838 ( -5.400 -15.005 -11.733) 19.798 15.946 ( -2.261 -15.477 1.795) 15.744 16.544 ( 3.259 20.161 -11.861) 23.617 20.817 ( -3.078 -9.601 21.141) 23.422 21.775 ( 0.753 1.542 0.268) 1.737 21.918 ( -0.015 -1.146 0.039) 1.147 22.531 ( 2.819 9.508 1.923) 10.102 24.674 ( -6.811 -20.186 -1.483) 21.355 25.419 ( -4.079 -10.945 -3.335) 12.147 ======================= Grid point 38 (28/489) ======================= q-point: ( 0.24 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.550 ( 25.680 36.612 13.602) 46.743 4.328 ( 29.850 44.587 0.024) 53.657 5.824 ( 2.832 13.605 -15.855) 21.083 6.345 ( 21.786 26.719 6.035) 34.999 7.075 ( 12.367 32.774 -13.493) 37.539 7.684 ( 14.948 27.477 24.090) 39.481 8.129 ( 3.263 10.479 18.041) 21.117 9.223 ( 9.672 21.603 -6.369) 24.512 9.670 ( 18.029 13.766 1.323) 22.722 11.021 ( 10.797 27.027 -4.737) 29.486 11.939 ( 22.586 40.584 -15.901) 49.092 13.075 ( 4.663 7.122 -0.146) 8.514 13.552 ( -7.381 -12.195 -3.473) 14.672 15.665 ( -8.378 -15.736 -1.893) 17.928 16.863 ( 10.048 19.314 -8.079) 23.222 20.740 ( -2.315 -5.275 20.097) 20.907 21.813 ( 1.076 2.558 0.248) 2.786 21.907 ( -0.301 -0.372 -0.111) 0.491 22.647 ( 1.971 3.740 0.834) 4.309 24.293 ( -11.591 -21.237 -1.465) 24.238 25.177 ( -8.148 -13.884 -2.999) 16.376 ======================= Grid point 39 (29/489) ======================= q-point: ( 0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.364 ( 21.429 33.482 15.892) 42.812 5.295 ( 32.787 35.659 -4.278) 48.630 5.945 ( 2.231 10.740 -16.762) 20.033 6.838 ( 11.983 11.008 7.954) 18.112 7.258 ( -2.411 15.324 -16.933) 22.965 8.241 ( 2.489 6.779 17.731) 19.145 8.797 ( 39.322 45.841 23.233) 64.710 9.635 ( 10.848 25.491 -8.015) 28.839 10.120 ( 14.120 14.706 9.225) 22.377 11.516 ( 14.949 20.046 -11.746) 27.628 12.619 ( 21.316 23.407 -26.207) 41.098 13.216 ( 2.093 6.966 0.342) 7.281 13.466 ( 5.092 6.179 11.979) 14.409 15.408 ( -4.815 -5.526 -8.248) 11.034 17.201 ( 11.011 11.683 -1.737) 16.148 20.721 ( -0.416 -2.593 16.991) 17.193 21.857 ( -0.100 3.236 0.056) 3.238 21.904 ( -0.116 1.186 0.149) 1.201 22.679 ( 0.310 -1.046 -0.347) 1.145 23.843 ( -14.352 -21.014 -0.752) 25.458 24.840 ( -11.536 -16.567 -2.588) 20.353 ======================= Grid point 40 (30/489) ======================= q-point: ( 0.35 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.039 ( 15.851 25.616 18.759) 35.487 5.938 ( 4.779 12.526 -16.167) 21.003 6.281 ( 26.496 28.005 -7.848) 39.343 7.062 ( -1.420 12.201 21.021) 24.347 7.365 ( 4.619 11.606 -28.876) 31.462 8.389 ( 3.600 6.010 14.690) 16.275 9.839 ( 15.222 29.043 9.738) 34.206 10.156 ( 27.103 31.275 3.581) 41.539 10.522 ( 10.659 19.193 11.174) 24.634 11.659 ( -3.991 -4.827 -19.098) 20.098 13.213 ( 26.440 21.433 -13.573) 36.642 13.357 ( 6.632 10.455 -1.107) 12.431 13.762 ( 8.509 11.157 12.545) 18.822 15.432 ( 10.237 8.421 -13.873) 19.188 17.469 ( 10.037 4.035 3.436) 11.350 20.747 ( 1.689 -1.603 12.170) 12.391 21.862 ( -2.424 3.032 -0.425) 3.905 21.934 ( 0.395 2.746 0.782) 2.882 22.651 ( -0.094 -3.446 -1.234) 3.662 23.370 ( -15.592 -19.505 0.677) 24.980 24.430 ( -13.852 -18.428 -2.152) 23.154 ======================= Grid point 41 (31/489) ======================= q-point: ( 0.41 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.503 ( 11.543 7.650 19.308) 23.761 6.052 ( -3.842 22.324 -14.206) 26.738 6.913 ( 10.915 17.892 -5.097) 21.570 7.298 ( 10.355 21.622 17.036) 29.410 7.490 ( 5.721 7.862 -26.106) 27.858 8.553 ( 3.148 7.688 10.104) 13.081 10.112 ( -1.868 14.734 -0.388) 14.857 10.802 ( -0.793 31.803 6.252) 32.421 11.142 ( 30.710 14.368 4.419) 34.191 11.384 ( -7.205 -4.894 -6.803) 11.052 13.414 ( -0.199 0.856 6.780) 6.837 13.783 ( 1.166 16.112 -0.195) 16.156 14.249 ( 35.047 21.268 -5.606) 41.377 15.806 ( 21.051 10.199 -15.333) 27.969 17.657 ( 9.090 -2.428 7.348) 11.938 20.805 ( 4.563 -1.875 6.863) 8.453 21.836 ( -3.950 2.342 -0.464) 4.615 21.961 ( -0.113 1.872 0.610) 1.973 22.625 ( 1.675 -2.419 -2.255) 3.707 22.914 ( -15.716 -15.994 3.006) 22.624 23.981 ( -14.726 -18.762 -1.649) 23.908 ======================= Grid point 42 (32/489) ======================= q-point: ( 0.47 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.688 ( 7.930 -9.435 10.400) 16.126 6.213 ( -8.630 33.149 -4.691) 34.573 7.078 ( -5.285 15.435 3.334) 16.652 7.585 ( 4.242 4.812 -10.825) 12.583 7.867 ( 19.830 20.748 -3.901) 28.965 8.680 ( -1.036 8.936 5.050) 10.316 10.154 ( -4.183 6.155 -0.446) 7.455 10.854 ( -12.689 1.785 -7.178) 14.688 11.211 ( -9.685 29.579 -2.943) 31.263 11.910 ( 26.794 6.401 15.080) 31.405 13.365 ( -3.791 -4.427 6.633) 8.830 13.904 ( -7.141 22.131 1.135) 23.283 15.081 ( 34.710 15.831 -7.453) 38.871 16.186 ( 17.639 0.793 -12.317) 21.529 17.775 ( 7.763 -7.608 8.693) 13.918 20.914 ( 9.346 -2.434 2.617) 10.006 21.744 ( -5.701 -4.664 -0.463) 7.380 21.984 ( 0.376 2.971 -0.285) 3.009 22.513 ( -13.724 -7.940 -0.994) 15.887 22.680 ( 4.192 0.302 2.832) 5.068 23.542 ( -13.497 -16.957 -0.945) 21.693 ======================= Grid point 43 (33/489) ======================= q-point: ( 0.53 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.698 ( 5.081 -12.122 1.441) 13.223 6.351 ( -13.181 30.936 1.963) 33.685 7.115 ( -8.053 14.246 1.316) 16.417 7.669 ( 1.846 4.388 -3.886) 6.145 8.314 ( 10.056 13.465 -3.775) 17.225 8.696 ( -6.831 6.429 -0.983) 9.432 10.124 ( -2.719 2.054 -1.965) 3.933 10.662 ( -8.055 4.973 -1.599) 9.601 11.327 ( -15.774 33.849 -0.404) 37.346 12.303 ( 12.578 -5.019 11.105) 17.513 13.271 ( -2.845 -3.062 4.596) 6.212 13.981 ( -11.566 23.981 0.417) 26.627 15.643 ( 16.900 3.457 -9.173) 19.537 16.386 ( 12.099 -7.193 -1.830) 14.194 17.807 ( 5.034 -11.499 5.593) 13.742 21.089 ( 12.055 -4.053 0.435) 12.725 21.551 ( -4.080 -11.756 -0.454) 12.452 22.037 ( 0.649 5.147 -1.353) 5.362 22.259 ( -10.261 1.127 0.202) 10.324 22.812 ( 6.653 3.244 1.057) 7.477 23.188 ( -7.506 -12.753 0.124) 14.799 ======================= Grid point 44 (34/489) ======================= q-point: (-0.41 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.642 ( 2.167 -10.523 -5.522) 12.080 6.380 ( -17.348 26.420 4.977) 31.996 7.094 ( -9.249 11.861 -0.930) 15.070 7.709 ( -2.330 3.939 1.512) 4.819 8.361 ( -14.026 0.244 2.554) 14.259 8.639 ( -2.967 5.043 -8.492) 10.312 10.116 ( -2.931 7.598 -3.502) 8.865 10.707 ( 4.236 8.868 4.787) 10.931 11.323 ( -20.979 29.825 -1.094) 36.481 12.278 ( -6.001 -15.694 7.679) 18.473 13.256 ( 2.141 -0.212 2.595) 3.371 13.975 ( -15.516 21.768 -0.442) 26.736 15.632 ( -9.280 -12.765 -9.684) 18.517 16.482 ( 5.951 -9.792 10.177) 15.325 17.760 ( 3.390 -12.542 -0.584) 13.005 21.084 ( -3.194 -12.927 -0.264) 13.318 21.551 ( 12.439 -2.117 -0.496) 12.628 22.045 ( -4.612 2.090 -0.158) 5.066 22.227 ( 2.441 8.645 -4.080) 9.866 22.821 ( -5.705 -3.794 2.117) 7.171 23.193 ( 15.177 0.224 0.796) 15.199 ======================= Grid point 45 (35/489) ======================= q-point: (-0.35 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.521 ( -4.362 -6.743 -11.029) 13.643 6.314 ( -18.222 20.617 6.633) 28.304 7.033 ( -9.970 10.202 -1.400) 14.333 7.615 ( -14.688 0.042 -3.846) 15.183 8.025 ( -16.821 -4.619 14.112) 22.437 8.569 ( -6.934 0.975 -9.436) 11.750 10.139 ( -6.254 12.804 -3.577) 14.692 10.904 ( -3.842 13.855 1.105) 14.420 11.262 ( -7.429 18.364 2.600) 19.980 11.834 ( -23.156 -22.035 4.803) 32.324 13.326 ( 4.433 -0.354 1.592) 4.723 13.888 ( -16.189 17.483 -1.087) 23.852 15.096 ( -27.400 -21.644 -4.680) 35.229 16.374 ( -8.766 -13.280 12.322) 20.125 17.680 ( 2.053 -11.335 -3.689) 12.096 20.880 ( -4.481 -9.962 -1.815) 11.073 21.750 ( 7.088 2.777 0.407) 7.624 21.984 ( -3.278 1.136 -0.357) 3.488 22.438 ( 12.168 7.243 -8.948) 16.750 22.722 ( -0.428 -2.687 6.252) 6.818 23.555 ( 21.777 3.290 0.841) 22.040 ======================= Grid point 46 (36/489) ======================= q-point: (-0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.272 ( -16.802 -1.260 -12.647) 21.068 6.213 ( -13.726 12.625 6.242) 19.667 6.945 ( -11.414 8.314 0.404) 14.126 7.099 ( -33.293 -6.802 -9.461) 35.273 7.867 ( -6.968 -0.372 25.438) 26.377 8.382 ( -9.089 -3.451 -12.887) 16.143 10.096 ( -13.824 12.131 -3.348) 18.694 10.718 ( -28.799 16.356 -5.484) 33.571 11.054 ( -35.283 -23.541 -0.856) 42.424 11.564 ( 16.402 6.141 10.914) 20.636 13.366 ( -0.371 -1.766 0.921) 2.026 13.773 ( -12.979 10.571 -0.760) 16.756 14.286 ( -35.942 -21.891 -1.093) 42.098 15.987 ( -20.465 -12.906 8.873) 25.770 17.583 ( -0.810 -9.022 -2.162) 9.313 20.726 ( -3.604 -5.388 -3.656) 7.442 21.844 ( -0.022 4.506 0.719) 4.563 21.952 ( -1.832 1.052 -0.570) 2.188 22.602 ( 4.107 -0.265 -5.298) 6.708 22.918 ( 19.829 3.691 3.474) 20.466 23.999 ( 23.914 3.424 0.847) 24.173 ======================= Grid point 47 (37/489) ======================= q-point: (-0.24 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.834 ( -30.297 2.163 -9.733) 31.896 6.074 ( -19.727 2.495 -0.429) 19.889 6.354 ( -31.744 -6.185 2.940) 32.474 6.849 ( -10.793 8.546 -6.096) 15.056 7.783 ( -10.823 -2.273 29.301) 31.319 8.161 ( -5.954 -3.818 -16.669) 18.107 9.697 ( -43.268 -6.460 -6.425) 44.217 10.213 ( -34.238 3.286 7.673) 35.241 10.355 ( -22.368 -0.403 -11.886) 25.333 11.867 ( 6.082 -0.569 8.550) 10.508 13.258 ( -9.446 -3.609 0.470) 10.123 13.481 ( -26.344 -11.259 9.030) 30.038 13.612 ( -17.566 -0.038 -8.066) 19.329 15.565 ( -14.521 -5.017 4.338) 15.964 17.443 ( -6.141 -6.624 0.036) 9.033 20.621 ( -2.717 -2.412 -4.569) 5.838 21.871 ( -1.418 3.452 0.762) 3.809 21.924 ( -2.463 0.971 -0.598) 2.714 22.652 ( 3.302 -0.821 -1.087) 3.572 23.367 ( 25.028 3.507 0.349) 25.275 24.452 ( 23.193 2.782 0.756) 23.371 ======================= Grid point 48 (38/489) ======================= q-point: (-0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.212 ( -40.130 1.659 -5.064) 40.482 5.311 ( -49.915 -5.951 -2.838) 50.348 6.116 ( -8.104 0.945 5.273) 9.714 6.694 ( -14.795 4.888 -5.861) 16.648 7.552 ( -14.526 -5.373 15.832) 22.148 8.035 ( -5.689 -0.891 -6.329) 8.556 8.587 ( -61.053 -10.428 -5.328) 62.165 9.736 ( -30.441 4.826 4.592) 31.161 9.991 ( -17.318 -0.677 -7.915) 19.053 11.632 ( -27.395 -6.427 4.031) 28.426 12.850 ( -33.509 -8.022 4.514) 34.750 13.255 ( -8.148 1.714 6.291) 10.436 13.316 ( 1.625 -0.427 -7.873) 8.050 15.473 ( 4.551 1.208 0.993) 4.812 17.226 ( -12.628 -3.873 1.102) 13.255 20.566 ( -0.446 -0.649 -3.479) 3.567 21.859 ( -3.066 1.247 0.319) 3.325 21.902 ( -0.492 0.848 -0.138) 0.990 22.681 ( 0.408 -0.606 -0.131) 0.742 23.848 ( 25.758 2.209 -0.065) 25.852 24.863 ( 20.456 1.644 0.498) 20.528 ======================= Grid point 49 (39/489) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.451 ( -45.721 -0.000 0.000) 45.721 4.335 ( -56.019 -0.000 0.000) 56.019 5.948 ( -13.154 -0.000 0.000) 13.154 6.264 ( -41.574 -0.000 0.000) 41.574 7.344 ( -6.337 -0.000 0.000) 6.337 7.375 ( -53.279 -0.000 0.000) 53.279 7.982 ( -10.234 -0.000 0.000) 10.234 9.272 ( -24.572 -0.000 0.000) 24.572 9.658 ( -18.724 -0.000 0.000) 18.724 11.056 ( -29.682 -0.000 0.000) 29.682 12.049 ( -48.980 -0.000 0.000) 48.980 13.077 ( -8.856 -0.000 0.000) 8.856 13.585 ( 19.516 0.000 -0.000) 19.516 15.674 ( 15.196 0.000 -0.000) 15.196 16.932 ( -18.262 -0.000 0.000) 18.262 20.584 ( 3.522 0.000 -0.000) 3.522 21.812 ( -2.672 -0.000 0.000) 2.672 21.908 ( 0.463 0.000 -0.000) 0.463 22.641 ( -4.730 -0.000 0.000) 4.730 24.304 ( 24.278 0.000 -0.000) 24.278 25.199 ( 16.468 0.000 -0.000) 16.468 ======================= Grid point 54 (40/489) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.898 ( 0.000 37.408 10.391) 38.824 3.768 ( 0.000 53.658 2.531) 53.717 5.790 ( 0.000 30.454 2.698) 30.573 5.836 ( -0.000 22.357 -5.800) 23.097 6.668 ( -0.000 67.886 -3.869) 67.997 7.683 ( -0.000 3.290 -0.660) 3.355 8.015 ( 0.000 15.545 35.068) 38.359 8.969 ( -0.000 16.059 0.172) 16.060 9.328 ( -0.000 13.801 -14.051) 19.695 10.890 ( 0.000 27.694 0.604) 27.700 11.554 ( -0.000 52.224 -12.598) 53.722 12.951 ( -0.000 4.716 -0.573) 4.751 13.705 ( -0.000 -14.735 -8.804) 17.165 15.794 ( 0.000 -18.764 0.592) 18.773 16.717 ( -0.000 23.886 -11.094) 26.337 20.799 ( 0.000 -8.352 21.949) 23.484 21.781 ( 0.000 1.309 0.500) 1.401 21.901 ( 0.000 -1.625 0.047) 1.626 22.605 ( 0.000 7.639 1.944) 7.883 24.512 ( -0.000 -22.379 -2.268) 22.494 25.326 ( -0.000 -13.025 -3.394) 13.459 ======================= Grid point 55 (41/489) ======================= q-point: ( 0.24 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.494 ( 21.623 33.616 9.985) 41.198 4.416 ( 13.484 47.598 -1.618) 49.498 5.906 ( -1.187 11.969 -12.475) 17.329 6.229 ( 15.571 18.432 -6.320) 24.943 7.434 ( -3.156 49.268 5.412) 49.665 7.814 ( 11.247 31.876 11.564) 35.725 8.250 ( 1.015 10.588 29.418) 31.281 9.240 ( 9.730 19.355 -2.851) 21.850 9.532 ( 11.090 14.639 -8.173) 20.102 11.219 ( 2.130 32.916 -2.295) 33.065 12.102 ( 6.735 46.620 -19.884) 51.129 13.049 ( 5.026 5.965 -0.381) 7.809 13.530 ( -3.441 -8.663 0.077) 9.322 15.578 ( -2.470 -17.209 -3.709) 17.777 16.961 ( 2.401 23.028 -6.897) 24.158 20.766 ( -1.278 -5.443 20.958) 21.691 21.811 ( 1.552 1.724 0.577) 2.390 21.892 ( 0.715 -1.344 -0.105) 1.526 22.669 ( 0.130 3.239 0.957) 3.380 24.218 ( -6.039 -23.160 -2.202) 24.036 25.133 ( -4.593 -15.517 -3.123) 16.481 ======================= Grid point 56 (42/489) ======================= q-point: ( 0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.291 ( 26.608 29.603 11.658) 41.476 5.162 ( 22.220 37.478 -7.713) 44.247 5.996 ( 1.868 11.939 -12.547) 17.420 6.674 ( 16.879 13.849 -5.673) 22.558 7.535 ( -8.677 15.257 -1.776) 17.641 8.346 ( -0.686 7.077 21.752) 22.885 8.804 ( 24.823 55.375 24.293) 65.366 9.646 ( 12.461 22.463 -8.782) 27.148 9.977 ( 20.496 16.721 4.364) 26.809 11.571 ( 2.945 24.503 -9.219) 26.345 12.564 ( 8.536 29.081 -27.832) 41.148 13.225 ( 5.903 7.567 0.034) 9.597 13.511 ( 1.356 10.047 14.059) 17.333 15.382 ( -2.158 -7.560 -9.473) 12.310 17.213 ( 3.654 16.818 -1.430) 17.270 20.748 ( -1.086 -3.021 17.936) 18.221 21.870 ( 2.224 2.645 0.709) 3.528 21.899 ( 1.097 -0.386 -0.195) 1.179 22.671 ( -0.934 -1.495 -0.551) 1.847 23.834 ( -10.175 -22.579 -1.165) 24.793 24.837 ( -8.767 -18.070 -2.726) 20.268 ======================= Grid point 57 (43/489) ======================= q-point: ( 0.35 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.996 ( 18.945 20.119 15.032) 31.459 5.860 ( 21.268 23.243 -16.314) 35.478 6.224 ( 9.691 24.489 -8.209) 27.586 7.053 ( 12.724 10.660 -1.450) 16.663 7.537 ( -7.198 14.996 -5.519) 17.526 8.448 ( 1.019 5.583 19.421) 20.233 9.854 ( 30.341 41.216 22.332) 55.840 10.043 ( 8.930 20.372 -8.978) 23.987 10.560 ( 18.181 25.520 9.064) 32.619 11.650 ( -4.459 -0.852 -17.725) 18.297 13.017 ( 18.408 30.711 -20.581) 41.299 13.393 ( 2.707 8.793 5.262) 10.599 13.778 ( 7.153 13.775 13.346) 20.470 15.360 ( 4.062 7.477 -15.108) 17.340 17.410 ( 3.768 8.248 3.430) 9.695 20.747 ( -0.376 -2.003 13.201) 13.358 21.913 ( 0.025 2.062 -0.172) 2.069 21.940 ( 1.915 1.923 0.874) 2.851 22.614 ( -1.051 -4.750 -1.966) 5.247 23.412 ( -12.316 -20.511 0.707) 23.935 24.453 ( -11.739 -20.064 -2.308) 23.360 ======================= Grid point 58 (44/489) ======================= q-point: ( 0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.400 ( 9.344 4.503 14.415) 17.759 6.286 ( 7.109 25.262 -11.953) 28.837 6.783 ( 20.740 24.700 -11.150) 34.125 7.351 ( 9.372 11.374 1.685) 14.834 7.569 ( -4.591 15.552 -5.835) 17.233 8.600 ( 3.508 7.897 15.363) 17.626 10.289 ( 1.906 12.870 -10.152) 16.503 10.785 ( 29.198 26.879 19.404) 44.176 11.125 ( 6.271 32.462 8.480) 34.133 11.433 ( -5.715 -5.470 -15.451) 17.358 13.472 ( -2.235 3.041 11.279) 11.894 13.703 ( 25.186 26.334 -15.490) 39.595 14.082 ( 10.247 16.896 7.092) 20.995 15.589 ( 11.968 13.440 -17.515) 25.113 17.528 ( 4.127 -0.778 7.174) 8.313 20.753 ( 0.837 -2.411 7.918) 8.319 21.921 ( -2.850 1.998 -0.143) 3.483 21.971 ( 0.645 0.097 0.473) 0.806 22.557 ( 1.383 -4.347 -2.747) 5.325 23.005 ( -12.627 -15.984 3.040) 20.595 24.018 ( -13.058 -20.694 -1.826) 24.537 ======================= Grid point 59 (45/489) ======================= q-point: ( 0.47 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.539 ( 4.053 -3.602 10.612) 11.917 6.600 ( 0.508 26.072 -5.040) 26.560 7.230 ( 7.083 14.995 -1.562) 16.657 7.568 ( 2.579 11.537 -18.080) 21.602 7.791 ( 11.887 19.643 5.060) 23.511 8.780 ( 2.242 9.896 10.158) 14.358 10.321 ( -5.673 6.554 -10.683) 13.757 11.102 ( -13.436 4.618 -7.323) 15.984 11.503 ( 20.975 16.675 13.594) 30.047 11.687 ( 6.185 29.545 7.623) 31.133 13.418 ( -5.018 -3.462 10.118) 11.813 14.187 ( 4.942 23.136 -3.273) 23.883 14.664 ( 29.139 21.498 -3.608) 36.391 15.883 ( 13.649 4.542 -16.133) 21.615 17.581 ( 5.474 -9.132 9.069) 13.986 20.774 ( 3.805 -3.330 3.659) 6.241 21.795 ( -7.458 -8.438 -0.746) 11.286 22.004 ( 1.101 3.246 -0.224) 3.435 22.573 ( 2.680 -0.563 -4.737) 5.471 22.686 ( -9.311 -7.869 6.699) 13.910 23.582 ( -12.466 -19.181 -1.113) 22.903 ======================= Grid point 60 (46/489) ======================= q-point: ( 0.53 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.555 ( 1.622 -6.056 6.741) 9.205 6.800 ( -4.476 21.804 -0.700) 22.269 7.359 ( -5.261 10.532 0.324) 11.777 7.707 ( 3.001 12.515 -7.727) 15.011 8.232 ( 14.067 16.269 -4.885) 22.055 8.877 ( -4.817 7.870 2.247) 9.496 10.245 ( -5.817 6.426 -5.579) 10.308 10.926 ( -12.986 9.415 -2.604) 16.249 11.913 ( -3.614 30.751 1.459) 30.997 12.051 ( 10.396 5.253 14.848) 18.871 13.312 ( -4.296 -3.728 7.361) 9.303 14.431 ( -6.313 28.376 -0.671) 29.077 15.322 ( 23.890 11.792 -7.217) 27.602 16.062 ( 12.676 -7.781 -8.454) 17.108 17.576 ( 6.170 -15.939 7.696) 18.744 20.856 ( 9.075 -3.719 1.274) 9.890 21.521 ( -7.976 -15.299 -0.790) 17.272 22.070 ( 1.407 5.372 -1.283) 5.700 22.446 ( -9.585 0.556 0.115) 9.602 22.711 ( 7.459 1.302 1.650) 7.749 23.203 ( -9.964 -15.503 -0.007) 18.429 ======================= Grid point 61 (47/489) ======================= q-point: (-0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.519 ( 0.569 -6.464 2.612) 6.995 6.889 ( -9.139 18.875 2.697) 21.143 7.320 ( -7.364 6.840 -5.777) 11.593 7.853 ( -1.973 13.409 4.646) 14.328 8.523 ( 3.283 8.709 -4.159) 10.195 8.758 ( -11.867 2.311 -9.621) 15.451 10.274 ( -2.147 13.319 3.575) 13.956 10.838 ( -7.396 10.928 -2.353) 13.404 12.032 ( -20.122 34.501 -2.119) 39.996 12.173 ( 3.005 -12.541 13.785) 18.877 13.249 ( -1.150 -1.435 4.815) 5.154 14.521 ( -16.187 27.763 -0.535) 32.141 15.572 ( 1.274 -4.782 -13.675) 14.543 16.209 ( 15.188 -10.271 7.349) 19.753 17.516 ( 6.267 -18.756 2.719) 19.962 20.961 ( 4.467 -8.730 0.568) 9.823 21.318 ( 5.365 -8.841 -0.967) 10.387 22.130 ( -1.447 4.294 -1.490) 4.770 22.331 ( -5.443 5.402 -1.428) 7.800 22.877 ( 0.823 1.251 1.094) 1.855 22.952 ( 4.660 -9.520 1.292) 10.678 ======================= Grid point 62 (48/489) ======================= q-point: (-0.35 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.459 ( -0.532 -5.863 -1.381) 6.047 6.870 ( -15.143 17.486 4.034) 23.481 7.237 ( -6.412 4.449 -6.376) 10.078 7.901 ( -10.326 12.086 7.304) 17.494 8.340 ( -20.603 -2.861 1.454) 20.852 8.652 ( -3.772 2.412 -13.492) 14.215 10.408 ( -4.063 18.612 4.406) 19.553 10.902 ( 4.337 8.269 -2.141) 9.580 11.897 ( -24.272 14.866 0.182) 28.464 11.973 ( -16.043 -6.145 7.489) 18.740 13.264 ( 2.441 -0.528 3.291) 4.132 14.427 ( -21.866 21.164 -0.876) 30.444 15.275 ( -17.180 -16.159 -9.439) 25.404 16.323 ( 4.266 -9.981 11.763) 16.006 17.454 ( 7.093 -15.970 -2.245) 17.618 20.834 ( -2.704 -10.379 -0.407) 10.733 21.528 ( 17.729 -0.281 -0.358) 17.735 22.078 ( -5.601 1.295 -0.465) 5.768 22.377 ( 2.382 7.992 -5.077) 9.763 22.741 ( -4.191 -5.042 3.498) 7.431 23.212 ( 19.098 0.797 0.726) 19.128 ======================= Grid point 63 (49/489) ======================= q-point: (-0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.366 ( -3.827 -4.324 -4.063) 7.060 6.728 ( -20.266 14.629 3.029) 25.177 7.159 ( -6.250 3.718 -3.020) 7.874 7.625 ( -31.584 2.463 -4.284) 31.968 8.061 ( -8.816 0.902 15.276) 17.660 8.499 ( -10.342 -1.754 -11.282) 15.405 10.478 ( -10.942 18.742 -0.442) 21.707 11.074 ( 2.406 0.703 -4.744) 5.366 11.457 ( -21.633 -15.165 12.089) 29.054 11.638 ( -25.532 16.669 -2.700) 30.611 13.317 ( 3.207 -1.257 2.075) 4.021 14.205 ( -21.679 12.337 -0.679) 24.953 14.663 ( -29.661 -16.794 -4.063) 34.327 16.181 ( -11.375 -9.268 8.295) 16.855 17.435 ( 6.051 -10.019 -2.364) 11.941 20.713 ( -1.831 -5.417 -1.266) 5.857 21.809 ( 10.853 2.449 0.340) 11.131 22.001 ( -3.714 0.700 -0.306) 3.791 22.507 ( 5.333 3.549 -7.482) 9.849 22.709 ( 5.851 -1.460 5.775) 8.350 23.602 ( 23.408 1.171 0.529) 23.443 ======================= Grid point 64 (50/489) ======================= q-point: (-0.24 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.191 ( -12.654 -1.621 -3.850) 13.325 6.486 ( -20.479 8.295 1.872) 22.175 6.964 ( -39.527 -2.622 -0.436) 39.616 7.066 ( -8.165 3.235 -3.698) 9.529 8.013 ( -5.710 2.984 21.099) 22.061 8.223 ( -12.699 -4.280 -16.224) 21.043 10.345 ( -27.605 11.531 -3.602) 30.133 10.629 ( -25.751 -14.460 0.873) 29.546 10.983 ( -35.709 7.276 -0.255) 36.444 11.683 ( 13.452 2.063 3.534) 14.061 13.330 ( -1.484 -1.565 0.777) 2.292 13.921 ( -25.193 -1.357 5.842) 25.897 13.949 ( -27.823 -4.098 -6.919) 28.962 15.834 ( -18.995 -4.527 3.285) 19.802 17.429 ( 1.284 -4.402 -0.613) 4.626 20.639 ( -2.339 -1.893 -1.434) 3.333 21.928 ( -0.220 2.991 0.424) 3.029 21.962 ( -1.172 -0.248 -0.308) 1.237 22.575 ( 3.752 -0.436 -1.784) 4.178 22.977 ( 20.933 1.119 1.017) 20.987 24.044 ( 24.889 0.901 0.320) 24.907 ======================= Grid point 65 (51/489) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.828 ( -27.994 -0.000 0.000) 27.994 6.096 ( -38.448 -0.000 0.000) 38.448 6.329 ( -19.645 -0.000 0.000) 19.645 6.923 ( -9.926 -0.000 0.000) 9.926 7.850 ( -18.418 -0.000 0.000) 18.418 8.057 ( -0.231 -0.000 0.000) 0.231 9.571 ( -54.756 -0.000 0.000) 54.756 10.272 ( -16.086 -0.000 0.000) 16.086 10.370 ( -36.285 -0.000 0.000) 36.285 11.869 ( 0.636 0.000 -0.000) 0.636 13.208 ( -12.232 -0.000 0.000) 12.232 13.371 ( -20.109 -0.000 0.000) 20.109 13.613 ( -20.216 -0.000 0.000) 20.216 15.531 ( -11.031 -0.000 0.000) 11.031 17.369 ( -5.683 -0.000 0.000) 5.683 20.585 ( -2.308 -0.000 0.000) 2.308 21.921 ( -1.318 -0.000 0.000) 1.318 21.925 ( -3.030 -0.000 0.000) 3.030 22.639 ( 3.532 0.000 -0.000) 3.532 23.403 ( 25.514 0.000 -0.000) 25.514 24.481 ( 23.647 0.000 -0.000) 23.647 ======================= Grid point 72 (52/489) ======================= q-point: ( 0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.632 ( 0.000 30.309 7.960) 31.337 4.772 ( -0.000 44.323 -4.384) 44.539 6.002 ( -0.000 7.978 -12.901) 15.168 6.261 ( -0.000 21.067 -3.311) 21.325 7.762 ( -0.000 5.177 -1.728) 5.458 8.259 ( 0.000 60.671 11.102) 61.678 8.432 ( 0.000 17.867 35.107) 39.392 9.327 ( -0.000 18.496 0.148) 18.497 9.588 ( -0.000 20.240 -6.854) 21.369 11.541 ( -0.000 32.433 -5.147) 32.839 12.445 ( -0.000 38.244 -27.508) 47.110 13.054 ( -0.000 5.571 -0.104) 5.572 13.542 ( 0.000 5.327 10.395) 11.681 15.423 ( -0.000 -13.243 -7.379) 15.160 17.170 ( -0.000 22.918 -3.849) 23.239 20.776 ( 0.000 -4.032 20.231) 20.628 21.809 ( 0.000 0.982 0.672) 1.190 21.868 ( -0.000 -1.359 -0.191) 1.373 22.693 ( 0.000 0.429 0.179) 0.465 24.027 ( -0.000 -23.577 -2.135) 23.674 25.001 ( -0.000 -17.346 -2.986) 17.601 ======================= Grid point 73 (53/489) ======================= q-point: ( 0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.146 ( 21.637 26.321 7.229) 34.831 5.244 ( 8.556 34.339 -8.605) 36.420 6.075 ( 0.718 13.656 -8.079) 15.883 6.567 ( 10.896 17.393 -3.218) 20.775 7.772 ( -4.600 8.238 -2.488) 9.758 8.466 ( -0.575 2.863 18.029) 18.264 9.091 ( 11.255 47.486 16.808) 51.615 9.643 ( 12.625 21.030 -1.337) 24.565 9.926 ( 8.211 32.553 7.727) 34.450 11.766 ( -2.014 14.555 -12.451) 19.260 12.732 ( 1.515 32.976 -27.771) 43.139 13.176 ( 6.591 6.616 0.052) 9.339 13.703 ( -1.125 18.524 18.905) 26.492 15.315 ( 0.194 -1.570 -12.533) 12.632 17.380 ( -0.716 19.352 0.227) 19.367 20.781 ( -0.920 -2.180 17.578) 17.737 21.839 ( 2.475 -0.111 0.587) 2.546 21.872 ( 1.366 0.315 -0.098) 1.405 22.667 ( -1.191 -3.478 -1.328) 3.909 23.739 ( -5.305 -22.447 -0.946) 23.085 24.763 ( -5.012 -19.353 -2.672) 20.169 ======================= Grid point 74 (54/489) ======================= q-point: ( 0.35 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.850 ( 24.790 20.448 9.617) 33.543 5.702 ( 15.191 20.622 -13.017) 28.731 6.311 ( 6.627 23.575 -5.547) 25.109 6.933 ( 12.906 13.390 -3.346) 18.896 7.769 ( -5.169 9.730 -3.141) 11.456 8.535 ( 0.664 3.505 18.276) 18.621 9.704 ( 19.246 15.935 0.325) 24.989 10.170 ( 17.292 29.749 2.506) 34.501 10.548 ( 13.360 41.460 20.108) 47.976 11.690 ( -6.024 -4.830 -17.436) 19.069 13.113 ( 6.205 39.340 -21.685) 45.347 13.401 ( 8.557 9.072 2.684) 12.757 13.886 ( -0.562 10.521 18.099) 20.942 15.370 ( 2.372 14.887 -16.809) 22.578 17.523 ( -2.617 12.910 4.215) 13.831 20.780 ( -1.553 -1.073 13.182) 13.317 21.885 ( 3.222 -0.754 -0.058) 3.310 21.924 ( 2.474 1.982 0.796) 3.268 22.578 ( -1.918 -6.863 -2.871) 7.683 23.396 ( -8.822 -19.624 1.075) 21.542 24.425 ( -9.184 -20.986 -2.299) 23.023 ======================= Grid point 75 (55/489) ======================= q-point: ( 0.41 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.343 ( 9.912 9.308 13.419) 19.104 6.198 ( 21.707 18.686 -13.960) 31.863 6.727 ( 12.599 25.318 -7.992) 29.387 7.267 ( 12.108 11.072 -4.421) 16.992 7.784 ( -4.136 10.382 -0.159) 11.177 8.660 ( 3.062 6.784 16.579) 18.173 10.113 ( 18.292 2.016 -11.173) 21.529 10.825 ( 16.874 33.225 11.440) 38.981 11.229 ( 14.695 28.405 13.639) 34.768 11.478 ( -6.972 0.911 -10.104) 12.309 13.564 ( 3.760 10.481 -2.758) 11.472 13.634 ( 8.309 27.826 -4.169) 29.338 14.071 ( 9.818 11.222 8.226) 17.029 15.582 ( 3.835 20.844 -18.026) 27.823 17.564 ( -4.273 4.382 7.356) 9.569 20.763 ( -1.898 -1.235 8.138) 8.447 21.935 ( 2.661 -1.360 0.047) 2.988 21.964 ( -0.343 0.535 0.433) 0.769 22.476 ( 0.514 -7.040 -3.188) 7.745 23.056 ( -9.956 -14.377 3.016) 17.746 24.017 ( -11.571 -21.428 -1.861) 24.423 ======================= Grid point 76 (56/489) ======================= q-point: ( 0.47 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.516 ( 1.470 2.469 12.753) 13.073 6.677 ( 12.931 16.875 -8.484) 22.890 7.178 ( 14.012 18.559 -8.144) 24.640 7.574 ( 9.665 12.803 -12.647) 20.427 7.846 ( 1.011 9.430 6.406) 11.445 8.854 ( 4.560 10.345 12.423) 16.797 10.317 ( 7.730 -0.413 -16.555) 18.276 11.251 ( -1.015 -3.138 3.749) 4.993 11.469 ( 9.557 29.570 6.851) 31.822 11.867 ( 11.626 30.692 9.636) 34.205 13.526 ( -7.022 -2.164 11.376) 13.543 14.150 ( 17.739 23.190 -11.510) 31.384 14.515 ( 17.857 21.681 3.463) 28.300 15.786 ( 2.876 13.893 -17.808) 22.768 17.501 ( -4.030 -5.674 9.124) 11.476 20.731 ( -1.052 -2.082 4.063) 4.685 21.817 ( -6.825 -11.988 -0.959) 13.828 22.009 ( 1.987 3.204 -0.079) 3.771 22.476 ( 5.254 -2.300 -1.520) 5.933 22.789 ( -8.823 -6.631 3.509) 11.581 23.593 ( -11.701 -19.829 -1.180) 23.054 ======================= Grid point 77 (57/489) ======================= q-point: ( 0.53 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.545 ( -1.740 -0.528 10.000) 10.164 6.955 ( 4.260 12.376 -2.703) 13.365 7.502 ( 3.092 10.963 0.999) 11.435 7.719 ( 4.085 8.696 -16.232) 18.862 8.137 ( 14.312 13.044 0.364) 19.368 9.034 ( -0.738 10.737 4.609) 11.708 10.360 ( 0.232 5.873 -10.522) 12.052 11.193 ( -5.748 3.441 -0.803) 6.747 11.876 ( 6.031 14.164 18.867) 24.350 12.352 ( 5.794 30.412 -0.168) 30.959 13.393 ( -6.829 -3.152 9.247) 11.920 14.638 ( 12.886 22.454 -7.587) 26.977 15.090 ( 20.636 19.918 3.440) 28.886 15.853 ( 0.352 1.080 -15.733) 15.774 17.363 ( -0.877 -16.448 8.679) 18.618 20.723 ( 2.565 -2.278 1.789) 3.869 21.508 ( -9.437 -17.344 -0.922) 19.767 22.087 ( 2.376 4.958 -1.000) 5.588 22.569 ( 4.309 0.761 -2.281) 4.935 22.624 ( -5.148 -1.585 4.197) 6.829 23.218 ( -9.674 -15.603 -0.107) 18.359 ======================= Grid point 78 (58/489) ======================= q-point: ( 0.59 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.508 ( -2.779 -1.977 6.206) 7.081 7.098 ( -0.188 9.510 2.395) 9.808 7.490 ( -7.370 3.782 -6.615) 10.601 7.933 ( 8.797 8.029 -0.987) 11.951 8.484 ( 9.959 11.002 -4.399) 15.478 9.018 ( -11.826 7.816 -5.929) 15.366 10.452 ( -0.130 13.885 2.482) 14.106 11.103 ( -9.449 7.152 -4.530) 12.686 12.051 ( 2.224 -2.705 17.109) 17.464 12.642 ( -8.750 30.447 -2.521) 31.780 13.288 ( -3.854 -1.857 6.317) 7.629 14.982 ( -0.696 24.041 -4.149) 24.406 15.542 ( 1.079 15.127 -7.377) 16.865 15.819 ( 13.615 -12.483 0.084) 18.472 17.198 ( 4.573 -24.058 5.099) 25.014 20.793 ( 6.600 -2.578 1.045) 7.163 21.194 ( -4.564 -14.960 -0.905) 15.667 22.182 ( 1.361 6.431 -1.951) 6.857 22.487 ( -7.495 2.655 -0.619) 7.975 22.708 ( 9.287 -4.058 1.591) 10.258 22.953 ( -6.464 -7.587 0.938) 10.011 ======================= Grid point 79 (59/489) ======================= q-point: (-0.35 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.446 ( -2.683 -2.341 2.432) 4.312 7.159 ( -3.900 7.343 6.583) 10.605 7.365 ( -7.049 1.671 -10.143) 12.464 8.117 ( 2.324 6.145 6.847) 9.489 8.632 ( -4.741 2.910 -0.133) 5.564 8.788 ( -16.517 8.321 -14.359) 23.415 10.622 ( 0.708 13.996 10.962) 17.792 11.012 ( -7.030 8.185 -10.887) 15.328 11.975 ( -6.460 -11.590 13.077) 18.629 12.639 ( -22.272 24.174 -2.795) 32.988 13.250 ( -0.628 -0.698 4.119) 4.224 15.028 ( -19.248 19.622 -0.642) 27.494 15.370 ( -12.739 -7.035 -12.275) 19.038 16.098 ( 15.111 -2.967 10.464) 18.619 17.100 ( 10.930 -21.152 -0.399) 23.812 20.779 ( -2.120 -7.776 0.389) 8.070 21.200 ( 15.696 -2.972 -0.661) 15.988 22.195 ( -5.563 2.664 -0.953) 6.241 22.444 ( -1.468 6.433 -2.859) 7.191 22.737 ( -0.059 -9.268 2.772) 9.674 22.945 ( 10.088 1.656 0.512) 10.236 ======================= Grid point 80 (60/489) ======================= q-point: (-0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.381 ( -2.648 -1.724 -0.091) 3.161 7.115 ( -11.257 5.167 4.938) 13.334 7.252 ( -4.039 0.676 -6.335) 7.543 8.155 ( -9.722 6.426 7.775) 14.009 8.282 ( -24.448 -1.810 -3.482) 24.761 8.655 ( -9.144 2.531 -6.629) 11.574 10.791 ( -1.403 12.597 11.387) 17.038 10.974 ( 0.506 1.491 -13.677) 13.767 11.674 ( -16.458 -10.226 8.282) 21.072 12.343 ( -31.483 12.472 -1.864) 33.915 13.264 ( 1.940 -0.592 1.985) 2.838 14.747 ( -26.589 8.779 -0.059) 28.001 14.972 ( -21.124 -8.018 -4.785) 23.096 16.229 ( 0.545 -3.027 5.952) 6.700 17.161 ( 13.026 -9.173 -1.739) 16.026 20.685 ( -1.019 -3.787 -0.196) 3.926 21.527 ( 20.337 0.077 -0.120) 20.337 22.094 ( -6.070 0.451 -0.268) 6.093 22.496 ( 0.160 5.285 -3.911) 6.577 22.658 ( -0.355 -4.249 3.350) 5.422 23.225 ( 19.453 0.254 0.285) 19.456 ======================= Grid point 81 (61/489) ======================= q-point: (-0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.313 ( -4.464 -0.000 0.000) 4.464 6.884 ( -18.238 -0.000 0.000) 18.238 7.185 ( -4.497 -0.000 0.000) 4.497 7.647 ( -37.818 -0.000 0.000) 37.818 8.128 ( -4.640 -0.000 0.000) 4.640 8.445 ( -14.198 -0.000 0.000) 14.198 10.765 ( -11.357 -0.000 0.000) 11.357 10.934 ( -12.726 -0.000 0.000) 12.726 11.374 ( -6.367 -0.000 0.000) 6.367 11.819 ( -31.195 -0.000 0.000) 31.195 13.306 ( 2.510 0.000 -0.000) 2.510 14.335 ( -24.028 -0.000 0.000) 24.028 14.465 ( -30.255 -0.000 0.000) 30.255 16.105 ( -12.516 -0.000 0.000) 12.516 17.315 ( 8.539 0.000 -0.000) 8.539 20.655 ( -0.870 -0.000 0.000) 0.870 21.838 ( 12.738 0.000 -0.000) 12.738 22.008 ( -3.926 -0.000 0.000) 3.926 22.524 ( 1.378 0.000 -0.000) 1.378 22.709 ( 9.146 0.000 -0.000) 9.146 23.614 ( 23.867 0.000 -0.000) 23.867 ======================= Grid point 90 (62/489) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.203 ( 0.000 22.881 5.095) 23.442 5.471 ( -0.000 26.634 -8.868) 28.072 6.217 ( -0.000 19.145 -5.422) 19.898 6.649 ( -0.000 17.550 0.206) 17.551 7.875 ( -0.000 6.705 -2.801) 7.266 8.500 ( 0.000 -1.460 9.600) 9.710 9.374 ( 0.000 22.186 7.330) 23.365 9.699 ( -0.000 17.513 -0.065) 17.513 10.389 ( 0.000 56.689 22.928) 61.151 11.802 ( -0.000 -4.191 -17.820) 18.306 13.047 ( -0.000 42.797 -23.734) 48.937 13.174 ( 0.000 6.047 0.482) 6.066 13.937 ( 0.000 12.202 20.663) 23.996 15.338 ( -0.000 14.939 -16.038) 21.918 17.591 ( 0.000 18.454 2.895) 18.679 20.815 ( 0.000 -0.529 15.619) 15.628 21.806 ( 0.000 -1.552 0.191) 1.564 21.866 ( 0.000 1.147 0.128) 1.154 22.623 ( -0.000 -6.753 -2.651) 7.254 23.563 ( 0.000 -20.759 0.212) 20.760 24.599 ( -0.000 -20.747 -2.459) 20.893 ======================= Grid point 91 (63/489) ======================= q-point: ( 0.35 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.633 ( 21.298 18.947 4.548) 28.867 5.715 ( 4.010 18.067 -6.031) 19.464 6.452 ( 3.242 23.846 -5.662) 24.722 6.888 ( 7.356 14.602 0.170) 16.351 7.908 ( -2.791 6.482 -3.373) 7.822 8.540 ( 4.231 -0.408 8.457) 9.465 9.592 ( 6.585 8.125 1.989) 10.646 10.034 ( 17.636 17.419 -0.694) 24.798 11.051 ( 0.465 55.938 28.855) 62.944 11.641 ( -2.521 -10.869 -18.126) 21.284 13.313 ( 7.719 7.753 -1.115) 10.997 13.459 ( 1.106 44.334 -19.245) 48.344 14.015 ( -2.007 -1.044 17.889) 18.031 15.536 ( -0.120 29.253 -16.534) 33.603 17.743 ( -3.710 14.841 5.732) 16.336 20.838 ( -1.577 1.006 11.956) 12.101 21.814 ( 2.782 -1.669 -0.096) 3.245 21.900 ( 2.096 1.462 0.518) 2.607 22.516 ( -1.350 -9.986 -3.764) 10.757 23.328 ( -4.501 -17.401 1.857) 18.070 24.330 ( -5.133 -21.824 -2.145) 22.522 ======================= Grid point 92 (64/489) ======================= q-point: ( 0.41 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.229 ( 20.931 13.247 8.438) 26.169 6.003 ( 13.452 15.543 -5.462) 21.269 6.771 ( 7.881 21.589 -8.351) 24.453 7.170 ( 9.534 11.059 -2.568) 14.826 7.917 ( -2.146 6.120 -1.186) 6.593 8.675 ( 5.938 3.524 10.777) 12.799 9.798 ( 13.410 -0.903 -5.254) 14.430 10.638 ( 29.127 18.790 -2.024) 34.721 11.356 ( -4.132 -5.400 -4.384) 8.091 11.735 ( 0.151 43.144 21.316) 48.122 13.563 ( 8.866 9.146 -1.886) 12.877 13.843 ( -0.116 26.725 -6.570) 27.521 14.027 ( 5.229 6.663 4.195) 9.452 15.791 ( -2.111 29.822 -15.691) 33.764 17.775 ( -8.514 9.002 7.894) 14.692 20.831 ( -3.418 1.534 7.425) 8.316 21.857 ( 3.509 -2.518 -0.172) 4.322 21.953 ( 1.920 0.486 0.606) 2.071 22.377 ( -0.206 -10.560 -3.415) 11.100 23.078 ( -6.919 -12.088 2.949) 14.237 23.976 ( -8.934 -21.737 -1.747) 23.567 ======================= Grid point 93 (65/489) ======================= q-point: ( 0.47 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.565 ( 3.688 6.880 13.476) 15.573 6.495 ( 22.195 15.705 -8.256) 28.415 7.109 ( 11.539 14.799 -8.648) 20.662 7.447 ( 12.269 9.726 -7.377) 17.307 7.942 ( -2.164 4.029 3.031) 5.486 8.868 ( 7.363 6.868 10.989) 14.905 10.020 ( 16.542 -4.093 -12.019) 20.853 11.217 ( 1.100 -5.171 -7.518) 9.191 11.392 ( 28.995 20.796 3.784) 35.882 12.175 ( -3.882 35.476 22.967) 42.439 13.640 ( -4.941 -1.854 8.060) 9.634 14.093 ( 12.364 17.222 -7.636) 22.534 14.411 ( 15.365 20.541 -3.614) 25.905 15.962 ( -5.067 22.451 -15.040) 27.494 17.658 ( -12.870 1.086 8.891) 15.680 20.786 ( -4.508 1.290 3.695) 5.969 21.789 ( -4.558 -12.434 -0.822) 13.268 21.996 ( 2.598 2.210 -0.195) 3.416 22.339 ( 5.686 -4.997 -0.630) 7.596 22.874 ( -6.697 -4.977 2.529) 8.719 23.585 ( -10.437 -19.697 -1.134) 22.320 ======================= Grid point 94 (66/489) ======================= q-point: ( 0.53 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.636 ( -3.444 3.264 11.595) 12.528 6.930 ( 11.769 12.227 -3.945) 17.423 7.434 ( 13.647 8.473 -5.542) 16.992 7.722 ( 3.490 7.961 -16.303) 18.476 7.981 ( 9.862 1.348 7.660) 12.559 9.105 ( 6.254 8.967 6.301) 12.618 10.242 ( 14.102 1.025 -11.386) 18.154 11.196 ( 2.187 -3.068 1.660) 4.118 12.064 ( 13.313 23.539 5.975) 27.695 12.449 ( 2.565 20.856 10.832) 23.641 13.512 ( -7.185 -3.336 7.673) 11.028 14.535 ( 17.178 19.434 -9.620) 27.664 14.904 ( 20.913 12.917 2.610) 24.719 15.993 ( -8.474 14.076 -14.026) 21.603 17.389 ( -15.062 -9.093 8.563) 19.567 20.731 ( -3.424 1.465 1.693) 4.091 21.493 ( -9.364 -17.744 -0.792) 20.079 22.081 ( 3.324 4.135 -0.849) 5.373 22.427 ( 7.628 -3.143 0.802) 8.289 22.751 ( -6.166 1.090 1.128) 6.363 23.226 ( -9.194 -15.349 -0.179) 17.893 ======================= Grid point 95 (67/489) ======================= q-point: ( 0.59 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.595 ( -5.497 0.860 7.021) 8.959 7.168 ( 3.572 9.818 2.851) 10.829 7.625 ( -8.045 -0.668 -8.502) 11.724 7.738 ( 15.425 1.947 -5.009) 16.334 8.336 ( 17.352 6.587 -0.071) 18.560 9.234 ( -2.963 7.932 -1.859) 8.669 10.494 ( 10.336 8.464 -2.694) 13.628 11.201 ( -0.102 -1.864 0.949) 2.094 12.219 ( -11.525 10.548 12.253) 19.855 12.856 ( 12.705 18.458 -1.555) 22.462 13.378 ( -6.349 -1.746 5.096) 8.327 14.996 ( 15.464 16.077 -7.766) 23.620 15.383 ( 20.896 2.027 5.914) 21.811 15.917 ( -11.346 15.888 -11.272) 22.544 17.004 ( -11.786 -21.515 6.746) 25.442 20.726 ( 0.627 2.491 1.014) 2.762 21.149 ( -8.357 -16.328 -0.608) 18.352 22.197 ( 4.046 6.603 -1.843) 7.960 22.515 ( 6.377 -5.772 0.956) 8.654 22.652 ( -7.587 2.046 0.503) 7.874 22.979 ( -4.951 -7.464 0.604) 8.977 ======================= Grid point 96 (68/489) ======================= q-point: (-0.35 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.511 ( -5.202 -0.257 2.683) 5.859 7.284 ( -1.438 7.188 7.214) 10.285 7.449 ( -6.000 -3.648 -9.736) 12.004 8.001 ( 12.830 0.626 -0.078) 12.845 8.622 ( 8.216 3.343 -0.340) 8.877 9.148 ( -13.639 5.881 -4.717) 15.584 10.719 ( 4.367 7.743 3.928) 9.718 11.149 ( -4.083 0.535 -3.860) 5.644 12.081 ( -11.143 -0.509 7.584) 13.489 13.090 ( -5.621 12.652 -1.783) 13.958 13.288 ( -3.479 -0.489 2.883) 4.545 15.294 ( 1.452 10.633 -4.505) 11.639 15.522 ( 0.071 -10.688 -1.948) 10.865 16.021 ( -3.305 26.208 2.189) 26.506 16.670 ( 7.128 -27.895 1.860) 28.851 20.773 ( -1.919 0.130 0.878) 2.114 20.953 ( 5.628 -7.115 -0.814) 9.109 22.314 ( -1.865 6.949 -1.674) 7.388 22.498 ( 1.130 -3.224 -1.258) 3.641 22.591 ( 1.357 -3.908 2.491) 4.829 22.898 ( -0.496 -0.317 0.328) 0.674 ======================= Grid point 97 (69/489) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.431 ( -3.885 -0.000 0.000) 3.885 7.300 ( -5.740 -0.000 0.000) 5.740 7.301 ( -3.798 -0.000 0.000) 3.798 8.176 ( 5.764 0.000 -0.000) 5.764 8.657 ( -8.430 -0.000 0.000) 8.430 8.874 ( -17.493 -0.000 0.000) 17.493 10.813 ( 2.388 0.000 -0.000) 2.388 11.064 ( -5.885 -0.000 0.000) 5.885 11.880 ( -11.826 -0.000 0.000) 11.826 12.898 ( -22.616 -0.000 0.000) 22.616 13.252 ( -0.718 -0.000 0.000) 0.718 15.218 ( -12.071 -0.000 0.000) 12.071 15.263 ( -23.615 -0.000 0.000) 23.615 16.154 ( 5.624 0.000 -0.000) 5.624 16.812 ( 19.027 0.000 -0.000) 19.027 20.696 ( -3.016 -0.000 0.000) 3.016 21.170 ( 18.402 0.000 -0.000) 18.402 22.222 ( -7.967 -0.000 0.000) 7.967 22.546 ( -1.553 -0.000 0.000) 1.553 22.604 ( 4.654 0.000 -0.000) 4.654 22.964 ( 9.165 0.000 -0.000) 9.165 ======================= Grid point 108 (70/489) ======================= q-point: ( 0.35 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.614 ( 0.000 15.848 2.602) 16.060 5.857 ( -0.000 16.630 0.009) 16.630 6.644 ( -0.000 22.017 -8.022) 23.433 6.974 ( 0.000 13.594 2.904) 13.900 7.992 ( -0.000 5.822 -3.408) 6.746 8.476 ( 0.000 -2.127 0.982) 2.342 9.616 ( 0.000 3.077 4.556) 5.498 10.023 ( -0.000 14.105 -0.237) 14.107 11.442 ( -0.000 -10.578 -10.541) 14.934 11.737 ( 0.000 50.910 23.746) 56.175 13.299 ( 0.000 5.725 0.869) 5.790 13.860 ( -0.000 41.502 -19.606) 45.900 14.018 ( 0.000 -6.530 11.937) 13.606 15.845 ( -0.000 35.159 -14.025) 37.853 17.944 ( 0.000 13.851 7.373) 15.692 20.904 ( 0.000 3.606 9.361) 10.032 21.770 ( -0.000 -1.757 -0.184) 1.767 21.895 ( 0.000 1.378 0.325) 1.416 22.401 ( -0.000 -13.034 -3.937) 13.615 23.212 ( 0.000 -14.055 2.560) 14.286 24.146 ( -0.000 -22.372 -1.879) 22.451 ======================= Grid point 109 (71/489) ======================= q-point: ( 0.41 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.966 ( 20.972 12.298 2.492) 24.439 6.042 ( 2.039 15.546 5.407) 16.585 6.845 ( 2.929 16.098 -11.059) 19.749 7.157 ( 5.016 11.368 1.264) 12.489 8.004 ( -2.547 4.473 -2.295) 5.636 8.562 ( 9.506 0.875 0.905) 9.589 9.639 ( 2.356 -3.184 1.731) 4.323 10.341 ( 20.064 12.996 -1.049) 23.928 11.270 ( -0.803 -11.825 -10.845) 16.065 12.301 ( -2.152 47.073 27.758) 54.690 13.453 ( 10.118 6.321 0.215) 11.932 13.925 ( -1.485 -9.669 12.563) 15.923 14.223 ( -0.411 35.912 -22.549) 42.406 16.133 ( -3.234 31.331 -12.027) 33.715 18.035 ( -6.377 10.486 8.322) 14.828 20.943 ( -3.138 5.478 5.753) 8.541 21.776 ( 2.456 -2.105 -0.219) 3.242 21.925 ( 1.662 0.734 0.337) 1.848 22.247 ( 0.053 -13.905 -2.780) 14.181 23.065 ( -3.319 -9.400 2.585) 10.298 23.873 ( -4.738 -21.721 -1.508) 22.283 ======================= Grid point 110 (72/489) ======================= q-point: ( 0.47 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.483 ( 19.560 8.195 6.538) 22.192 6.312 ( 11.590 15.089 4.322) 19.511 7.021 ( 7.381 6.809 -12.203) 15.804 7.367 ( 6.965 9.697 -3.647) 12.483 8.016 ( -1.468 3.676 1.335) 4.177 8.775 ( 10.936 2.778 4.000) 11.971 9.691 ( 10.677 -5.932 -4.303) 12.950 10.940 ( 30.553 12.335 -6.168) 33.521 11.165 ( 3.625 -6.667 -0.430) 7.601 12.710 ( -7.058 35.744 24.035) 43.648 13.687 ( 1.757 1.454 3.912) 4.528 13.912 ( 13.699 -1.500 4.238) 14.418 14.490 ( 1.410 24.909 -17.519) 30.485 16.293 ( -7.469 23.558 -10.544) 26.869 17.959 ( -13.717 5.193 8.086) 16.748 20.928 ( -6.184 6.199 2.588) 9.131 21.735 ( -3.060 -10.211 -0.370) 10.666 21.963 ( 2.832 1.028 -0.775) 3.110 22.175 ( 5.594 -7.514 0.291) 9.372 22.934 ( -4.333 -3.358 1.743) 5.752 23.547 ( -7.738 -19.059 -0.964) 20.593 ======================= Grid point 111 (73/489) ======================= q-point: ( 0.53 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.741 ( 1.134 4.500 9.632) 10.692 6.770 ( 19.597 13.615 -0.833) 23.877 7.212 ( 13.642 -0.433 -8.123) 15.883 7.607 ( 12.170 9.127 -9.100) 17.726 7.974 ( -5.656 -1.958 4.609) 7.554 9.024 ( 11.755 4.365 5.236) 13.589 9.899 ( 18.942 -2.432 -7.074) 20.365 11.112 ( 3.220 -2.935 -2.416) 4.982 11.731 ( 37.264 11.291 1.045) 38.951 12.867 ( -13.929 21.772 15.867) 30.328 13.600 ( -5.543 -4.334 5.577) 8.978 14.346 ( 23.634 10.965 -3.177) 26.247 14.721 ( 8.545 10.525 -7.494) 15.490 16.301 ( -11.095 15.254 -8.736) 20.788 17.693 ( -20.744 -1.096 6.637) 21.808 20.875 ( -7.395 6.778 1.002) 10.081 21.477 ( -8.735 -16.323 -0.370) 18.517 22.051 ( 4.141 3.385 -1.121) 5.465 22.251 ( 8.197 -4.303 1.483) 9.375 22.860 ( -3.997 2.482 0.557) 4.738 23.228 ( -8.383 -14.696 -0.202) 16.920 ======================= Grid point 112 (74/489) ======================= q-point: ( 0.59 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.731 ( -6.093 1.552 4.963) 8.011 7.168 ( 10.355 10.954 3.311) 15.433 7.422 ( 14.400 -5.717 -7.863) 17.375 7.772 ( -7.850 3.094 -6.877) 10.885 8.020 ( 21.129 0.106 4.161) 21.535 9.253 ( 7.098 3.509 1.294) 8.023 10.246 ( 20.944 1.672 -3.310) 21.270 11.149 ( 3.229 -1.700 0.860) 3.749 12.426 ( 21.848 9.223 1.512) 23.763 12.785 ( -8.673 7.608 5.299) 12.696 13.477 ( -5.810 -1.944 2.595) 6.654 14.838 ( 16.306 13.421 -6.501) 22.097 15.017 ( 22.413 -2.678 3.103) 22.785 16.201 ( -10.422 8.748 -5.691) 14.748 17.248 ( -26.531 -6.096 4.178) 27.541 20.826 ( -5.816 6.901 0.542) 9.042 21.150 ( -9.480 -13.806 -0.270) 16.750 22.165 ( 5.092 4.020 -1.216) 6.600 22.351 ( 6.922 -3.973 1.196) 8.070 22.816 ( -7.058 4.454 -0.184) 8.348 22.980 ( -4.576 -8.651 0.445) 9.797 ======================= Grid point 113 (75/489) ======================= q-point: (-0.35 -0.65 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.623 ( -6.844 -0.000 0.000) 6.844 7.352 ( 2.562 0.000 -0.000) 2.562 7.487 ( -2.997 -0.000 0.000) 2.997 7.768 ( 10.668 0.000 -0.000) 10.668 8.403 ( 18.323 0.000 -0.000) 18.323 9.316 ( -2.638 -0.000 0.000) 2.638 10.589 ( 15.196 0.000 -0.000) 15.196 11.174 ( 0.232 0.000 -0.000) 0.232 12.363 ( -17.620 -0.000 0.000) 17.620 13.049 ( 16.122 0.000 -0.000) 16.122 13.370 ( -5.410 -0.000 0.000) 5.410 15.182 ( 17.362 0.000 -0.000) 17.362 15.340 ( 10.261 0.000 -0.000) 10.261 16.192 ( 6.813 0.000 -0.000) 6.813 16.696 ( -29.851 -0.000 0.000) 29.851 20.822 ( 0.558 0.000 -0.000) 0.558 20.906 ( -8.369 -0.000 0.000) 8.369 22.307 ( 7.921 0.000 -0.000) 7.921 22.404 ( 1.576 0.000 -0.000) 1.576 22.678 ( -8.566 -0.000 0.000) 8.566 22.910 ( -1.000 -0.000 0.000) 1.000 ======================= Grid point 127 (76/489) ======================= q-point: ( 0.41 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.878 ( 0.000 9.357 1.004) 9.411 6.212 ( 0.000 15.891 11.209) 19.447 6.927 ( -0.000 9.451 -14.326) 17.163 7.222 ( 0.000 9.112 3.495) 9.759 8.069 ( -0.000 3.241 -3.065) 4.461 8.464 ( -0.000 1.980 -2.827) 3.451 9.595 ( 0.000 -5.932 3.273) 6.775 10.260 ( -0.000 9.109 -0.241) 9.112 11.140 ( -0.000 -9.187 -9.092) 12.925 12.835 ( 0.000 39.922 25.595) 47.423 13.406 ( 0.000 4.197 0.819) 4.276 13.866 ( 0.000 -9.416 10.169) 13.859 14.508 ( -0.000 28.243 -23.121) 36.501 16.436 ( -0.000 26.006 -8.996) 27.518 18.216 ( 0.000 8.953 7.916) 11.951 21.061 ( 0.000 9.164 3.297) 9.739 21.737 ( -0.000 -1.249 -0.240) 1.272 21.921 ( 0.000 0.972 0.265) 1.007 22.084 ( -0.000 -16.101 -1.388) 16.160 23.020 ( 0.000 -5.796 1.861) 6.087 23.695 ( -0.000 -20.441 -1.153) 20.474 ======================= Grid point 128 (77/489) ======================= q-point: ( 0.47 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.161 ( 20.984 6.125 1.047) 21.885 6.405 ( 0.726 14.917 14.733) 20.979 6.951 ( 1.366 0.779 -16.462) 16.537 7.351 ( 4.247 6.725 0.548) 7.972 8.077 ( -0.932 3.290 -0.598) 3.471 8.592 ( 10.550 2.227 -2.142) 10.994 9.528 ( 0.920 -6.773 1.126) 6.927 10.545 ( 22.083 7.205 -0.851) 23.245 11.057 ( 0.988 -5.505 -4.528) 7.196 13.204 ( -4.621 28.960 19.249) 35.079 13.567 ( 12.962 4.645 0.589) 13.782 13.778 ( -2.003 -8.475 8.005) 11.829 14.679 ( -1.386 17.706 -18.728) 25.810 16.601 ( -4.793 17.985 -6.512) 19.719 18.234 ( -8.432 5.326 6.308) 11.801 21.125 ( -5.083 10.734 0.978) 11.917 21.701 ( -3.212 -6.717 0.079) 7.446 21.915 ( 1.984 -2.896 -1.375) 3.770 21.999 ( 5.381 -6.697 1.501) 8.721 22.968 ( -1.909 -1.140 0.951) 2.418 23.465 ( -3.930 -16.809 -0.673) 17.275 ======================= Grid point 129 (78/489) ======================= q-point: ( 0.53 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.618 ( 20.175 2.868 2.433) 20.522 6.635 ( 8.175 11.683 10.638) 17.790 6.962 ( 7.879 -4.846 -12.978) 15.937 7.498 ( 6.775 3.912 -2.188) 8.123 8.076 ( -3.979 1.412 1.163) 4.379 8.824 ( 13.839 1.009 0.648) 13.891 9.576 ( 11.618 -2.982 -1.469) 12.085 11.027 ( 4.318 0.430 -5.319) 6.865 11.144 ( 34.207 1.910 3.502) 34.439 13.331 ( -11.779 16.070 9.807) 22.207 13.647 ( -4.087 -5.466 3.804) 7.814 13.960 ( 24.498 3.073 0.485) 24.695 14.749 ( -0.691 7.425 -9.250) 11.881 16.601 ( -9.406 9.117 -3.837) 13.650 18.054 ( -17.123 1.370 3.585) 17.548 21.111 ( -8.421 10.086 0.033) 13.140 21.476 ( -8.401 -12.757 0.237) 15.277 21.998 ( 5.507 3.088 -2.096) 6.652 22.066 ( 7.578 -4.569 2.421) 9.175 22.943 ( -2.068 2.854 0.198) 3.530 23.227 ( -6.658 -10.780 -0.148) 12.671 ======================= Grid point 130 (79/489) ======================= q-point: (-0.41 -0.59 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.814 ( 0.567 0.000 -0.000) 0.567 6.989 ( 19.371 0.000 -0.000) 19.371 7.101 ( 13.364 0.000 -0.000) 13.364 7.687 ( 13.967 0.000 -0.000) 13.967 7.954 ( -9.568 -0.000 0.000) 9.568 9.083 ( 13.493 0.000 -0.000) 13.493 9.860 ( 21.037 0.000 -0.000) 21.037 11.076 ( 3.655 0.000 -0.000) 3.655 11.851 ( 40.051 0.000 -0.000) 40.051 13.143 ( -18.634 -0.000 0.000) 18.634 13.556 ( -4.117 -0.000 0.000) 4.117 14.470 ( 29.853 0.000 -0.000) 29.853 14.791 ( 3.475 0.000 -0.000) 3.475 16.447 ( -12.238 -0.000 0.000) 12.238 17.692 ( -24.340 -0.000 0.000) 24.340 21.018 ( -9.117 -0.000 0.000) 9.117 21.231 ( -9.438 -0.000 0.000) 9.438 22.100 ( 4.445 0.000 -0.000) 4.445 22.193 ( 8.724 0.000 -0.000) 8.724 22.942 ( -1.046 -0.000 0.000) 1.046 23.022 ( -9.200 -0.000 0.000) 9.200 ======================= Grid point 146 (80/489) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.007 ( 0.000 3.110 0.228) 3.118 6.589 ( 0.000 13.495 18.038) 22.527 6.883 ( -0.000 -5.267 -18.812) 19.535 7.364 ( 0.000 3.330 1.604) 3.696 8.099 ( -0.000 0.875 -1.321) 1.585 8.516 ( -0.000 2.945 -1.865) 3.485 9.474 ( 0.000 -4.860 1.294) 5.030 10.385 ( -0.000 3.148 -0.098) 3.150 10.999 ( -0.000 -2.489 -2.637) 3.626 13.469 ( 0.000 1.550 0.333) 1.585 13.526 ( 0.000 18.453 9.512) 20.760 13.748 ( 0.000 -6.473 6.630) 9.266 14.788 ( -0.000 8.392 -12.073) 14.703 16.774 ( -0.000 9.457 -3.181) 9.978 18.367 ( 0.000 2.939 3.486) 4.560 21.292 ( -0.000 11.077 -0.373) 11.083 21.719 ( -0.000 -0.451 -0.105) 0.463 21.767 ( 0.000 -13.191 0.982) 13.227 21.935 ( 0.000 0.348 0.100) 0.362 22.986 ( 0.000 1.032 0.330) 1.083 23.353 ( -0.000 -10.949 -0.308) 10.953 ======================= Grid point 147 (81/489) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.225 ( 21.052 0.000 -0.000) 21.052 6.725 ( -3.299 -0.000 0.000) 3.299 6.784 ( 4.260 0.000 -0.000) 4.260 7.422 ( 3.986 0.000 -0.000) 3.986 8.113 ( 0.569 0.000 -0.000) 0.569 8.615 ( 9.213 0.000 -0.000) 9.213 9.448 ( 1.437 0.000 -0.000) 1.437 10.618 ( 23.214 0.000 -0.000) 23.214 10.992 ( 1.030 0.000 -0.000) 1.030 13.581 ( 4.940 0.000 -0.000) 4.940 13.644 ( -1.131 -0.000 0.000) 1.131 13.664 ( 2.241 0.000 -0.000) 2.241 14.800 ( -1.473 -0.000 0.000) 1.473 16.774 ( -5.093 -0.000 0.000) 5.093 18.303 ( -9.265 -0.000 0.000) 9.265 21.309 ( -5.570 -0.000 0.000) 5.570 21.549 ( -8.646 -0.000 0.000) 8.646 21.863 ( 9.298 0.000 -0.000) 9.298 21.965 ( 2.854 0.000 -0.000) 2.854 22.985 ( -1.001 -0.000 0.000) 1.001 23.260 ( -3.680 -0.000 0.000) 3.680 ======================= Grid point 313 (82/489) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( 0.000 0.000 59.303) 59.303 0.420 ( 0.000 0.000 59.303) 59.303 0.789 ( 0.000 0.000 111.616) 111.616 5.000 ( -0.000 -0.000 -8.508) 8.508 5.000 ( -0.000 -0.000 -8.508) 8.508 7.543 ( 0.000 0.000 4.199) 4.199 7.543 ( 0.000 0.000 4.199) 4.199 8.513 ( -0.000 -0.000 -1.437) 1.437 8.513 ( -0.000 -0.000 -1.437) 1.437 10.325 ( -0.000 -0.000 -28.467) 28.467 11.097 ( 0.000 0.000 7.078) 7.078 12.796 ( -0.000 -0.000 -0.120) 0.120 12.796 ( -0.000 -0.000 -0.120) 0.120 14.570 ( 0.000 0.000 11.028) 11.028 17.870 ( -0.000 -0.000 -1.626) 1.626 21.731 ( -0.000 -0.000 -0.201) 0.201 21.731 ( -0.000 -0.000 -0.201) 0.201 21.956 ( 0.000 0.000 0.082) 0.082 21.956 ( 0.000 0.000 0.082) 0.082 25.336 ( 0.000 0.000 0.640) 0.640 25.733 ( -0.000 -0.000 -0.603) 0.603 ======================= Grid point 314 (83/489) ======================= q-point: ( 0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 37.750 21.795 30.649) 53.287 1.409 ( 50.341 29.064 22.059) 62.173 2.328 ( 78.234 45.169 48.546) 102.555 5.074 ( 8.483 4.898 -12.667) 16.013 5.389 ( 27.035 15.609 -16.253) 35.195 7.525 ( -4.445 -2.567 9.893) 11.145 7.614 ( 4.063 2.346 7.853) 9.148 8.537 ( 2.869 1.656 -2.809) 4.344 8.682 ( 14.143 8.166 -1.387) 16.390 9.979 ( 7.837 4.525 -11.460) 14.602 10.528 ( -0.897 -0.518 21.904) 21.929 12.820 ( 1.940 1.120 0.246) 2.254 14.252 ( 0.344 0.199 -40.867) 40.869 15.322 ( 45.014 25.989 -56.719) 76.933 16.929 ( -33.518 -19.351 46.513) 60.509 21.295 ( -20.111 -11.611 27.500) 35.993 21.733 ( 0.332 0.192 -0.467) 0.604 21.948 ( -0.623 -0.360 0.016) 0.720 22.038 ( 14.788 8.538 3.825) 17.499 25.233 ( -8.775 -5.066 1.296) 10.215 25.678 ( -3.218 -1.858 -3.954) 5.425 ======================= Grid point 315 (84/489) ======================= q-point: ( 0.18 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 37.826 21.839 22.619) 49.187 2.656 ( 51.746 29.875 11.889) 60.922 4.264 ( 75.997 43.877 31.203) 93.137 5.308 ( 13.553 7.825 -16.644) 22.846 6.125 ( 36.695 21.186 -18.212) 46.120 7.409 ( -6.501 -3.753 13.285) 15.260 7.757 ( 5.842 3.373 11.545) 13.371 8.650 ( 7.804 4.506 -4.478) 10.063 9.117 ( 21.505 12.416 0.022) 24.832 10.337 ( 18.548 10.708 -19.911) 29.243 10.739 ( 20.863 12.046 9.174) 25.779 12.884 ( 3.342 1.929 0.590) 3.903 14.030 ( -10.930 -6.310 -18.460) 22.362 16.027 ( 24.517 14.155 -21.818) 35.742 16.388 ( -18.717 -10.806 10.748) 24.138 20.985 ( -12.191 -7.039 24.217) 28.011 21.745 ( 0.774 0.447 -0.505) 1.027 21.927 ( -1.151 -0.664 -0.116) 1.334 22.369 ( 11.952 6.900 2.202) 13.975 24.948 ( -15.231 -8.794 0.253) 17.589 25.549 ( -7.104 -4.102 -4.218) 9.224 ======================= Grid point 316 (85/489) ======================= q-point: ( 0.24 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.052 ( 34.493 19.915 20.154) 44.638 3.876 ( 50.034 28.887 6.375) 58.125 5.593 ( 13.692 7.905 -19.795) 25.334 5.890 ( 51.400 29.676 24.125) 64.068 6.886 ( 26.379 15.230 -35.815) 47.016 7.440 ( 15.262 8.811 30.317) 35.066 7.933 ( 6.536 3.774 13.267) 15.263 8.888 ( 13.332 7.697 -5.139) 16.229 9.622 ( 19.197 11.083 7.090) 23.273 10.726 ( 22.053 12.733 -10.863) 27.685 11.546 ( 42.762 24.689 -12.618) 50.964 12.976 ( 4.233 2.444 0.880) 4.967 13.698 ( -13.518 -7.805 -8.983) 18.010 15.844 ( -19.464 -11.237 1.877) 22.553 16.655 ( 23.519 13.579 -12.863) 30.050 20.823 ( -6.594 -3.807 22.993) 24.221 21.767 ( 1.082 0.625 -0.334) 1.293 21.896 ( -1.424 -0.822 -0.267) 1.665 22.594 ( 6.791 3.921 1.115) 7.920 24.538 ( -19.231 -11.103 -0.692) 22.217 25.322 ( -11.381 -6.571 -3.653) 13.640 ======================= Grid point 317 (86/489) ======================= q-point: ( 0.29 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.856 ( 29.836 17.226 19.128) 39.405 5.023 ( 46.511 26.853 2.073) 53.747 5.837 ( 11.040 6.374 -20.819) 24.412 6.600 ( 6.625 3.825 27.201) 28.256 7.131 ( 12.128 7.002 -37.267) 39.811 8.123 ( 6.957 4.017 11.402) 13.948 8.474 ( 53.653 30.977 25.809) 67.114 9.233 ( 16.407 9.473 -4.128) 19.390 10.013 ( 12.827 7.405 13.397) 19.971 11.353 ( 29.812 17.212 -14.388) 37.310 12.475 ( 35.850 20.698 -26.238) 49.011 13.084 ( 4.739 2.736 1.086) 5.579 13.463 ( -1.748 -1.009 6.782) 7.076 15.457 ( -11.170 -6.449 -6.287) 14.349 17.137 ( 18.822 10.867 -4.135) 22.124 20.772 ( -2.290 -1.322 19.865) 20.040 21.788 ( 0.479 0.277 -0.237) 0.602 21.866 ( -0.693 -0.400 -0.202) 0.826 22.697 ( 2.026 1.170 0.075) 2.341 24.058 ( -21.222 -12.252 -0.777) 24.517 25.001 ( -15.188 -8.769 -3.012) 17.794 ======================= Grid point 318 (87/489) ======================= q-point: ( 0.35 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.537 ( 24.276 14.016 17.804) 33.207 6.018 ( 8.539 4.930 -19.057) 21.457 6.057 ( 40.900 23.614 -2.942) 47.319 6.634 ( -4.171 -2.408 23.586) 24.073 7.332 ( 10.254 5.920 -27.540) 29.977 8.299 ( 5.874 3.391 7.259) 9.935 9.615 ( 16.288 9.404 -2.480) 18.971 9.655 ( 34.774 20.077 20.027) 44.871 10.415 ( 23.994 13.853 14.955) 31.485 11.704 ( -0.862 -0.497 -20.372) 20.397 13.157 ( 33.742 19.481 -22.442) 44.963 13.201 ( 4.876 2.815 1.167) 5.750 13.696 ( 12.281 7.090 14.578) 20.337 15.409 ( 11.231 6.484 -12.350) 17.909 17.514 ( 13.513 7.802 2.044) 15.737 20.800 ( 1.110 0.641 14.684) 14.740 21.775 ( -1.278 -0.738 -0.520) 1.564 21.875 ( 1.216 0.702 0.287) 1.433 22.705 ( -0.769 -0.444 -0.701) 1.132 23.549 ( -21.791 -12.581 0.108) 25.162 24.601 ( -18.120 -10.462 -2.397) 21.060 ======================= Grid point 319 (88/489) ======================= q-point: ( 0.41 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.070 ( 17.672 10.203 14.097) 24.802 6.160 ( 7.141 4.123 -13.936) 16.193 6.515 ( -3.657 -2.112 10.616) 11.426 6.995 ( 33.441 19.307 3.745) 38.795 7.480 ( 7.387 4.265 -20.100) 21.835 8.421 ( 3.373 1.947 3.086) 4.969 9.966 ( 13.541 7.818 -1.148) 15.678 10.115 ( 7.447 4.299 16.082) 18.236 11.213 ( 25.064 14.471 -2.654) 29.063 11.431 ( -4.886 -2.821 -3.432) 6.604 13.314 ( 4.407 2.545 1.080) 5.203 13.585 ( -1.643 -0.948 5.807) 6.109 14.266 ( 39.739 22.943 -9.228) 46.805 15.858 ( 24.953 14.407 -13.548) 31.839 17.786 ( 8.920 5.150 6.736) 12.307 20.893 ( 4.604 2.658 8.577) 10.091 21.740 ( -1.437 -0.830 -0.523) 1.740 21.910 ( 1.485 0.857 0.448) 1.772 22.682 ( -0.459 -0.265 -1.785) 1.862 23.041 ( -21.527 -12.428 2.112) 24.947 24.150 ( -19.592 -11.311 -1.794) 22.693 ======================= Grid point 320 (89/489) ======================= q-point: ( 0.47 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.420 ( 9.894 5.712 5.761) 12.795 6.294 ( 6.028 3.480 -4.302) 8.182 6.434 ( -4.484 -2.589 9.228) 10.581 7.588 ( 5.163 2.981 -8.463) 10.353 7.717 ( 26.495 15.297 -5.811) 31.141 8.475 ( 1.077 0.622 0.109) 1.248 10.231 ( 8.897 5.137 -0.398) 10.281 10.260 ( 3.073 1.774 15.089) 15.501 10.895 ( -17.120 -9.884 -21.720) 29.369 12.068 ( 25.386 14.656 15.177) 33.009 13.406 ( 3.090 1.784 0.808) 3.658 13.450 ( -8.034 -4.639 7.036) 11.643 15.165 ( 35.157 20.298 -10.294) 41.881 16.347 ( 17.306 9.991 -10.397) 22.526 17.964 ( 4.401 2.541 8.814) 10.174 21.065 ( 8.967 5.177 3.131) 10.817 21.710 ( -0.976 -0.563 -0.313) 1.169 21.941 ( 1.050 0.606 0.306) 1.251 22.538 ( -19.078 -11.015 -3.595) 22.321 22.717 ( 1.708 0.986 4.542) 4.952 23.693 ( -18.388 -10.616 -1.092) 21.261 ======================= Grid point 321 (90/489) ======================= q-point: ( 0.53 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.558 ( 1.892 1.092 -4.908) 5.372 6.359 ( -3.105 -1.793 3.781) 5.211 6.414 ( 3.604 2.081 7.191) 8.308 7.663 ( 2.739 1.581 -6.336) 7.082 8.177 ( 11.945 6.896 -1.597) 13.885 8.484 ( 0.029 0.017 -1.689) 1.689 10.318 ( -3.008 -1.737 -2.097) 4.058 10.373 ( 3.132 1.808 -0.045) 3.617 10.559 ( -3.680 -2.125 -1.787) 4.610 12.508 ( 8.554 4.939 11.017) 14.796 13.302 ( -4.875 -2.814 4.899) 7.462 13.457 ( 1.014 0.586 0.388) 1.234 15.756 ( 15.099 8.717 -10.717) 20.465 16.612 ( 7.158 4.132 -1.004) 8.326 18.025 ( -0.649 -0.375 6.222) 6.267 21.302 ( 8.833 5.100 -0.110) 10.200 21.695 ( -0.282 -0.163 0.020) 0.326 21.958 ( 0.316 0.183 -0.019) 0.366 22.123 ( -13.123 -7.577 -1.784) 15.258 22.822 ( 4.995 2.884 1.659) 6.002 23.327 ( -10.746 -6.204 -0.081) 12.409 ======================= Grid point 322 (91/489) ======================= q-point: (-0.41 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.494 ( -5.458 -3.151 -12.238) 13.766 6.310 ( -1.137 -0.656 -2.981) 3.257 6.483 ( -0.157 -0.091 15.164) 15.165 7.675 ( -1.126 -0.650 -4.353) 4.543 8.228 ( -7.594 -4.384 5.162) 10.175 8.473 ( -0.499 -0.288 -3.163) 3.214 10.152 ( -4.506 -2.601 -17.802) 18.547 10.375 ( -2.948 -1.702 0.252) 3.414 10.733 ( 12.655 7.306 14.764) 20.773 12.481 ( -12.777 -7.377 7.221) 16.427 13.285 ( 2.746 1.585 2.605) 4.103 13.453 ( -1.343 -0.776 -0.097) 1.554 15.760 ( -12.333 -7.121 -9.371) 17.048 16.695 ( -1.771 -1.022 9.355) 9.576 17.980 ( -3.443 -1.988 0.340) 3.990 21.298 ( -9.616 -5.552 -0.570) 11.119 21.697 ( 0.464 0.268 0.385) 0.660 21.956 ( -0.484 -0.280 -0.365) 0.668 22.094 ( 11.850 6.842 -5.605) 14.787 22.830 ( -4.613 -2.663 2.603) 5.928 23.333 ( 11.146 6.435 0.750) 12.892 ======================= Grid point 323 (92/489) ======================= q-point: (-0.35 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.252 ( -12.273 -7.086 -15.122) 20.724 6.291 ( 0.820 0.474 -10.336) 10.379 6.479 ( -3.490 -2.015 19.064) 19.485 7.512 ( -14.705 -8.490 -9.813) 19.611 7.970 ( -12.032 -6.947 19.801) 24.189 8.436 ( -2.111 -1.219 -5.369) 5.897 10.041 ( -2.602 -1.502 -15.657) 15.943 10.239 ( -8.544 -4.933 0.801) 9.898 11.147 ( 18.802 10.855 12.751) 25.178 11.982 ( -29.787 -17.197 3.350) 34.557 13.396 ( -3.356 -1.938 -0.549) 3.914 13.408 ( 6.462 3.731 1.651) 7.642 15.204 ( -31.865 -18.397 -4.104) 37.023 16.516 ( -16.135 -9.316 11.445) 21.866 17.876 ( -5.077 -2.931 -2.493) 6.370 21.022 ( -11.265 -6.504 -2.639) 13.272 21.717 ( 1.104 0.637 0.687) 1.448 21.935 ( -1.133 -0.654 -0.567) 1.426 22.458 ( 16.798 9.698 -11.131) 22.364 22.768 ( 1.014 0.585 8.077) 8.161 23.708 ( 18.694 10.793 0.884) 21.604 ======================= Grid point 324 (93/489) ======================= q-point: (-0.29 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.853 ( -18.578 -10.726 -14.850) 26.091 6.291 ( 1.655 0.955 -18.956) 19.052 6.414 ( -5.872 -3.390 20.287) 21.390 6.915 ( -31.674 -18.287 -6.034) 37.069 7.839 ( -5.585 -3.225 26.966) 27.727 8.337 ( -5.068 -2.926 -8.631) 10.427 9.904 ( -7.597 -4.386 -13.792) 16.345 9.987 ( -12.930 -7.465 1.727) 15.029 11.128 ( -40.288 -23.260 -2.975) 46.616 11.638 ( 17.783 10.267 13.270) 24.449 13.300 ( -4.566 -2.636 -0.885) 5.346 13.546 ( 3.213 1.855 1.869) 4.154 14.332 ( -39.702 -22.922 -0.405) 45.845 16.023 ( -25.668 -14.819 8.207) 30.754 17.727 ( -7.434 -4.292 -0.811) 8.623 20.791 ( -7.522 -4.343 -5.043) 10.043 21.750 ( 1.472 0.850 0.860) 1.905 21.903 ( -1.434 -0.828 -0.542) 1.743 22.650 ( 3.511 2.027 -5.916) 7.172 23.056 ( 19.282 11.132 3.815) 22.589 24.170 ( 19.882 11.479 0.951) 22.977 ======================= Grid point 325 (94/489) ======================= q-point: (-0.24 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.314 ( -24.447 -14.115 -12.732) 30.968 5.973 ( -36.302 -20.959 -16.892) 45.194 6.297 ( -8.315 -4.800 19.422) 21.665 6.364 ( -2.255 -1.302 -10.107) 10.437 7.776 ( -6.499 -3.752 32.803) 33.650 8.160 ( -7.639 -4.411 -11.895) 14.809 9.440 ( -36.398 -21.014 -10.223) 43.254 9.654 ( -15.530 -8.966 2.781) 18.147 10.240 ( -26.447 -15.269 -8.996) 31.835 11.936 ( -0.540 -0.312 10.616) 10.634 13.184 ( -4.916 -2.839 -1.065) 5.776 13.416 ( -19.643 -11.341 13.223) 26.254 13.523 ( -21.684 -12.519 -8.684) 26.501 15.526 ( -13.231 -7.639 3.578) 15.692 17.510 ( -11.370 -6.565 1.491) 13.214 20.643 ( -3.943 -2.277 -6.198) 7.691 21.785 ( 1.158 0.669 0.874) 1.597 21.871 ( -0.994 -0.574 -0.314) 1.191 22.699 ( 1.466 0.846 -1.550) 2.295 23.551 ( 21.684 12.519 0.339) 25.041 24.626 ( 18.422 10.636 0.924) 21.292 ======================= Grid point 326 (95/489) ======================= q-point: (-0.18 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.647 ( -29.985 -17.312 -9.624) 35.937 4.951 ( -46.062 -26.594 -8.345) 53.838 6.103 ( -11.962 -6.906 15.897) 21.060 6.287 ( -5.748 -3.318 -16.947) 18.200 7.660 ( -10.987 -6.343 37.364) 39.459 7.945 ( -7.628 -4.404 -12.838) 15.569 8.212 ( -58.628 -33.849 -10.332) 68.482 9.288 ( -15.850 -9.151 3.358) 18.608 9.826 ( -11.993 -6.924 -13.079) 19.048 11.514 ( -31.189 -18.007 7.774) 36.844 12.707 ( -42.009 -24.254 5.177) 48.783 13.068 ( -4.677 -2.701 -1.091) 5.510 13.415 ( 11.042 6.375 0.377) 12.755 15.499 ( 8.579 4.953 -0.036) 9.906 17.195 ( -15.875 -9.165 2.816) 18.546 20.582 ( 0.064 0.037 -4.999) 5.000 21.794 ( -0.631 -0.364 0.631) 0.964 21.869 ( 0.917 0.530 0.115) 1.065 22.695 ( -2.058 -1.188 -0.178) 2.383 24.059 ( 21.323 12.311 -0.616) 24.629 25.028 ( 15.507 8.953 0.701) 17.919 ======================= Grid point 327 (96/489) ======================= q-point: (-0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( -35.091 -20.260 -5.744) 40.924 3.797 ( -50.561 -29.191 -4.906) 58.588 5.718 ( -49.082 -28.338 -0.072) 56.675 5.806 ( -15.565 -8.986 9.471) 20.316 6.929 ( -38.349 -22.141 -25.912) 51.306 7.499 ( -10.079 -5.819 35.921) 37.760 7.762 ( -5.466 -3.156 -9.863) 11.710 8.946 ( -13.393 -7.733 2.919) 15.738 9.499 ( -14.427 -8.329 -10.276) 19.573 10.845 ( -23.174 -13.379 5.839) 27.388 11.638 ( -46.512 -26.854 0.359) 53.709 12.962 ( -4.091 -2.362 -0.986) 4.826 13.776 ( 16.784 9.690 0.390) 19.385 15.804 ( 15.519 8.960 -2.417) 18.082 16.787 ( -18.958 -10.945 2.882) 22.080 20.634 ( 5.126 2.960 -1.026) 6.008 21.773 ( -1.045 -0.603 0.562) 1.331 21.899 ( 1.381 0.797 0.216) 1.609 22.589 ( -7.153 -4.130 0.372) 8.269 24.536 ( 19.187 11.077 -1.004) 22.178 25.351 ( 11.709 6.760 0.160) 13.522 ======================= Grid point 328 (97/489) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -39.321 -22.702 -0.212) 45.404 2.568 ( -53.207 -30.719 -0.206) 61.439 4.115 ( -80.708 -46.597 11.046) 93.846 5.446 ( -15.390 -8.886 2.246) 17.912 6.123 ( -30.795 -17.780 -18.206) 39.949 7.449 ( -0.122 -0.070 19.236) 19.237 7.638 ( -3.831 -2.212 -4.595) 6.378 8.692 ( -8.479 -4.895 1.467) 9.900 9.093 ( -18.121 -10.462 -3.540) 21.222 10.504 ( -8.188 -4.727 -1.152) 9.525 10.642 ( -35.390 -20.432 1.093) 40.879 12.874 ( -3.139 -1.812 -0.770) 3.706 14.142 ( 14.027 8.098 -4.227) 16.739 16.111 ( 5.520 3.187 -19.998) 20.989 16.384 ( -10.343 -5.972 16.694) 20.527 20.826 ( 10.908 6.298 5.770) 13.854 21.752 ( -0.806 -0.465 0.456) 1.036 21.929 ( 1.078 0.622 0.154) 1.254 22.359 ( -12.422 -7.172 0.827) 14.367 24.941 ( 15.084 8.708 -0.882) 17.439 25.575 ( 7.385 4.264 -0.865) 8.571 ======================= Grid point 331 (98/489) ======================= q-point: ( 0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 0.000 39.697 31.396) 50.612 1.471 ( 0.000 53.516 29.664) 61.188 2.486 ( 0.000 87.568 58.041) 105.056 5.082 ( -0.000 12.115 -12.056) 17.092 5.282 ( -0.000 26.463 -22.677) 34.850 7.577 ( 0.000 1.772 4.628) 4.956 7.628 ( 0.000 0.863 15.830) 15.854 8.549 ( -0.000 4.340 -1.658) 4.646 8.675 ( -0.000 16.000 -3.465) 16.370 9.941 ( -0.000 7.253 -18.264) 19.651 10.584 ( 0.000 -3.498 26.102) 26.335 12.812 ( -0.000 1.859 -0.493) 1.923 14.137 ( -0.000 9.093 -52.183) 52.969 15.200 ( -0.000 48.387 -34.824) 59.616 17.042 ( 0.000 -39.308 35.583) 53.022 21.358 ( 0.000 -23.722 26.415) 35.503 21.739 ( -0.000 0.645 -0.032) 0.646 21.950 ( 0.000 -0.651 0.158) 0.669 22.050 ( 0.000 16.816 4.752) 17.474 25.230 ( 0.000 -10.741 1.284) 10.817 25.668 ( -0.000 -3.855 -4.310) 5.782 ======================= Grid point 332 (99/489) ======================= q-point: ( 0.18 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 26.079 36.418 24.792) 51.196 2.352 ( 29.112 48.455 17.713) 59.238 3.899 ( 41.236 77.735 43.897) 98.336 5.232 ( 4.597 16.394 -16.282) 23.558 5.755 ( 24.764 26.486 -24.539) 43.783 7.536 ( -6.457 -0.932 13.867) 15.325 7.746 ( 4.846 6.141 13.970) 16.011 8.645 ( 2.759 9.511 -3.951) 10.662 8.931 ( 12.250 15.874 -3.411) 20.339 10.168 ( 12.083 23.869 -25.075) 36.667 10.668 ( 5.046 7.848 16.048) 18.563 12.861 ( 2.573 2.961 -0.087) 3.924 14.032 ( -3.631 -6.795 -26.247) 27.355 15.756 ( 19.583 29.064 -23.801) 42.364 16.596 ( -16.204 -22.827 14.493) 31.523 21.124 ( -8.119 -14.665 26.146) 31.058 21.747 ( 0.121 1.179 -0.178) 1.198 21.937 ( -0.598 -0.753 0.056) 0.963 22.300 ( 7.223 13.132 3.403) 15.369 25.031 ( -7.667 -14.661 0.347) 16.549 25.579 ( -3.450 -5.855 -4.989) 8.430 ======================= Grid point 333 (100/489) ======================= q-point: ( 0.24 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( 27.727 34.428 21.822) 49.297 3.453 ( 38.903 41.139 8.775) 57.297 5.457 ( 16.564 26.390 -6.934) 31.920 5.503 ( 37.069 44.850 19.064) 61.230 6.458 ( 31.515 21.793 -29.300) 48.235 7.480 ( -2.271 3.931 23.229) 23.668 7.949 ( 4.158 9.676 14.923) 18.265 8.830 ( 6.248 14.949 -6.201) 17.349 9.392 ( 21.449 13.915 0.311) 25.569 10.557 ( 11.817 18.118 -10.701) 24.133 11.160 ( 28.069 29.369 -8.690) 41.544 12.954 ( 3.320 4.687 0.356) 5.755 13.776 ( -8.898 -10.476 -13.561) 19.309 16.015 ( -12.538 -16.480 4.569) 21.205 16.418 ( 15.791 19.914 -16.331) 30.210 20.938 ( -6.423 -8.399 25.614) 27.711 21.767 ( 0.463 1.861 -0.154) 1.924 21.915 ( -1.203 -0.464 -0.127) 1.295 22.534 ( 6.180 7.270 2.124) 9.775 24.682 ( -13.258 -16.768 -0.878) 21.394 25.399 ( -7.418 -8.730 -4.451) 12.290 ======================= Grid point 334 (101/489) ======================= q-point: ( 0.29 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.704 ( 24.091 32.974 20.512) 45.699 4.564 ( 40.970 34.980 2.542) 53.932 5.691 ( 7.734 10.410 -21.062) 24.734 6.559 ( 22.369 20.955 18.267) 35.682 6.941 ( 7.006 10.984 -27.868) 30.763 8.006 ( 37.070 28.358 30.577) 55.797 8.148 ( 5.842 12.537 13.759) 19.510 9.145 ( 10.527 19.565 -5.661) 22.928 9.886 ( 16.746 11.255 9.187) 22.170 11.032 ( 23.134 21.924 -11.821) 33.993 12.020 ( 34.788 28.259 -23.704) 50.701 13.070 ( 3.128 6.334 0.481) 7.081 13.511 ( -5.962 -6.286 -0.194) 8.666 15.586 ( -14.440 -12.372 -4.880) 19.632 16.913 ( 18.941 15.357 -6.640) 25.273 20.844 ( -3.396 -4.621 23.005) 23.709 21.797 ( 0.246 2.422 0.011) 2.434 21.888 ( -1.474 0.270 -0.211) 1.513 22.666 ( 3.001 2.220 0.678) 3.794 24.238 ( -16.573 -17.514 -1.304) 24.147 25.121 ( -11.233 -11.574 -3.640) 16.534 ======================= Grid point 335 (102/489) ======================= q-point: ( 0.35 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.456 ( 18.522 31.205 19.666) 41.274 5.590 ( 37.758 26.247 -3.733) 46.136 5.859 ( 8.794 6.723 -18.419) 21.489 6.867 ( -7.281 10.850 23.518) 26.904 7.110 ( 13.966 6.981 -30.219) 34.014 8.288 ( 3.341 6.730 10.288) 12.740 9.258 ( 42.157 32.223 23.641) 58.090 9.554 ( 13.653 24.245 -2.250) 27.916 10.260 ( 12.627 10.930 13.330) 21.369 11.576 ( 13.798 9.328 -17.884) 24.438 12.725 ( 29.608 19.398 -30.269) 46.574 13.189 ( 2.988 6.929 1.191) 7.639 13.599 ( 11.262 8.218 15.527) 20.868 15.327 ( -1.530 -1.229 -11.801) 11.963 17.337 ( 15.729 9.163 0.286) 18.206 20.824 ( -0.514 -2.434 17.959) 18.131 21.810 ( -1.714 1.913 -0.237) 2.579 21.882 ( -0.142 1.987 0.238) 2.006 22.697 ( 0.350 -1.202 -0.661) 1.416 23.750 ( -18.133 -17.228 -0.518) 25.018 24.756 ( -14.371 -13.918 -2.871) 20.211 ======================= Grid point 336 (103/489) ======================= q-point: ( 0.41 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.074 ( 11.500 29.221 17.522) 35.960 5.923 ( 8.655 -4.277 -13.650) 16.719 6.496 ( 27.180 21.299 -8.354) 35.528 6.904 ( -3.408 17.741 14.945) 23.446 7.327 ( 10.052 4.551 -17.819) 20.959 8.427 ( 2.388 6.357 5.785) 8.921 9.834 ( 9.749 12.699 1.643) 16.094 10.210 ( 8.806 26.372 13.333) 30.835 10.828 ( 34.236 17.814 13.467) 40.875 11.509 ( -9.839 -7.737 -18.039) 21.956 13.316 ( 2.753 7.559 2.123) 8.320 13.477 ( 26.872 18.198 -12.366) 34.731 13.903 ( 15.090 9.514 6.788) 19.086 15.538 ( 21.094 11.616 -14.965) 28.352 17.655 ( 12.199 3.925 5.511) 13.949 20.858 ( 2.586 -1.226 11.484) 11.835 21.784 ( -2.845 1.818 -0.411) 3.401 21.913 ( 0.397 2.584 0.566) 2.675 22.671 ( -0.274 -2.254 -2.077) 3.078 23.256 ( -18.605 -16.117 1.559) 24.664 24.327 ( -16.451 -15.320 -2.171) 22.584 ======================= Grid point 337 (104/489) ======================= q-point: ( 0.47 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.522 ( 2.132 27.775 9.542) 29.446 5.977 ( 9.825 -12.199 -3.303) 16.008 6.752 ( -7.409 16.109 3.984) 18.173 7.401 ( 22.293 18.127 -20.585) 35.346 7.504 ( 10.666 7.028 5.488) 13.902 8.519 ( -0.666 6.888 1.568) 7.096 10.059 ( 6.016 3.695 4.265) 8.249 10.508 ( -2.692 23.973 8.615) 25.615 11.040 ( -14.811 -7.383 -24.698) 29.729 11.749 ( 30.909 13.359 21.585) 39.997 13.417 ( 0.257 3.875 3.611) 5.303 13.612 ( -7.875 4.273 6.212) 10.902 14.673 ( 40.410 21.488 -12.871) 47.543 16.049 ( 23.717 9.495 -12.140) 28.285 17.876 ( 8.810 -0.370 8.836) 12.484 20.952 ( 7.046 -0.338 5.289) 8.817 21.750 ( -2.944 1.536 -0.312) 3.335 21.943 ( 0.247 1.833 0.356) 1.884 22.638 ( -2.080 -2.935 -8.377) 9.116 22.801 ( -14.638 -11.519 8.820) 20.610 23.870 ( -16.753 -15.160 -1.445) 22.640 ======================= Grid point 338 (105/489) ======================= q-point: ( 0.53 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.729 ( -7.554 21.461 -9.261) 24.564 6.033 ( 10.427 -13.627 14.012) 22.153 6.783 ( -9.666 18.509 4.420) 21.344 7.589 ( 5.652 2.795 -11.572) 13.178 8.017 ( 17.985 14.671 -0.662) 23.220 8.549 ( -3.689 6.556 -1.754) 7.724 10.149 ( 3.215 -4.090 1.891) 5.536 10.631 ( -7.083 0.992 -2.732) 7.656 10.722 ( -12.902 21.119 -5.941) 25.452 12.342 ( 18.907 4.539 16.917) 25.774 13.367 ( -4.990 -4.691 7.039) 9.821 13.590 ( -6.548 13.891 1.273) 15.409 15.449 ( 28.140 12.891 -14.022) 33.980 16.434 ( 15.453 1.926 -4.585) 16.234 17.988 ( 4.054 -4.513 8.712) 10.617 21.131 ( 12.102 0.194 0.991) 12.144 21.702 ( -2.596 -2.126 -0.107) 3.357 21.962 ( 0.154 1.566 -0.479) 1.645 22.318 ( -16.069 -7.376 -2.899) 17.917 22.763 ( 4.779 1.834 3.499) 6.200 23.449 ( -13.548 -12.619 -0.472) 18.521 ======================= Grid point 339 (106/489) ======================= q-point: (-0.41 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.687 ( -10.663 10.135 -16.434) 22.057 6.105 ( 4.519 -6.254 14.961) 16.834 6.804 ( -10.145 16.880 5.751) 20.516 7.658 ( 1.815 1.425 -5.811) 6.253 8.304 ( 0.634 5.431 1.081) 5.574 8.523 ( -3.587 4.254 -4.618) 7.231 10.080 ( -2.072 -5.735 -11.059) 12.629 10.565 ( -1.043 7.259 1.388) 7.464 10.788 ( -8.173 20.914 5.583) 23.138 12.543 ( 0.145 -7.168 13.543) 15.324 13.280 ( -1.165 -1.477 5.163) 5.495 13.606 ( -8.249 13.405 0.222) 15.741 15.761 ( 3.401 -2.245 -14.887) 15.435 16.637 ( 8.121 -2.946 6.410) 10.757 17.971 ( -0.225 -7.466 4.614) 8.779 21.295 ( 3.401 -5.959 -0.239) 6.865 21.631 ( 3.119 -5.635 -0.413) 6.454 21.988 ( -0.537 3.308 -1.057) 3.514 22.076 ( -5.243 3.828 -3.454) 7.354 22.866 ( 0.203 0.068 2.240) 2.250 23.224 ( 2.430 -3.454 0.739) 4.287 ======================= Grid point 340 (107/489) ======================= q-point: (-0.35 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.500 ( -15.605 6.293 -16.732) 23.729 6.131 ( 1.604 -3.957 7.856) 8.941 6.788 ( -11.101 13.764 7.360) 19.153 7.623 ( -6.321 -1.497 -6.666) 9.308 8.163 ( -13.101 -5.520 9.720) 17.221 8.498 ( -4.147 3.631 -5.686) 7.919 9.991 ( -1.469 -0.305 -11.754) 11.850 10.571 ( -14.882 16.212 -2.175) 22.114 10.987 ( 11.654 10.969 10.228) 18.993 12.262 ( -19.790 -17.440 9.754) 28.123 13.329 ( 4.514 0.852 4.293) 6.288 13.571 ( -9.792 11.847 -0.501) 15.379 15.474 ( -20.174 -16.037 -9.954) 27.627 16.639 ( -5.039 -9.008 10.595) 14.792 17.877 ( -1.601 -7.998 0.205) 8.160 21.104 ( -8.542 -11.561 -1.099) 14.416 21.707 ( 3.671 1.295 0.302) 3.904 21.961 ( -2.294 0.833 -0.460) 2.484 22.245 ( 13.544 9.481 -8.531) 18.604 22.791 ( -3.011 -2.723 5.071) 6.496 23.465 ( 18.206 5.660 0.804) 19.083 ======================= Grid point 341 (108/489) ======================= q-point: (-0.29 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.183 ( -22.623 4.907 -15.110) 27.644 6.128 ( 1.474 -3.879 0.455) 4.174 6.729 ( -12.054 11.552 7.278) 18.213 7.264 ( -25.837 -10.125 -9.602) 29.364 7.966 ( -6.379 -3.600 22.116) 23.297 8.401 ( -6.777 -0.511 -8.149) 10.611 9.929 ( -4.983 1.794 -8.735) 10.215 10.381 ( -22.511 13.876 -3.222) 26.639 11.383 ( 12.471 4.442 3.492) 13.691 11.601 ( -27.695 -19.120 10.390) 35.222 13.389 ( -2.350 0.228 2.558) 3.481 13.553 ( -2.448 9.252 0.981) 9.620 14.754 ( -34.664 -23.104 -4.708) 41.923 16.306 ( -20.403 -14.995 7.999) 26.554 17.759 ( -2.954 -7.706 0.057) 8.253 20.856 ( -7.337 -7.730 -2.655) 10.983 21.762 ( 0.295 3.358 0.773) 3.458 21.932 ( -1.909 0.594 -0.590) 2.085 22.545 ( 10.186 4.378 -11.271) 15.811 22.856 ( 11.840 3.385 8.394) 14.903 23.895 ( 21.950 7.117 0.666) 23.085 ======================= Grid point 342 (109/489) ======================= q-point: (-0.24 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.731 ( -29.790 3.309 -11.978) 32.278 6.085 ( -2.731 -5.530 -8.694) 10.660 6.555 ( -32.801 -10.965 -2.782) 34.697 6.645 ( -13.903 7.909 5.814) 17.019 7.913 ( -4.895 -2.644 29.182) 29.708 8.218 ( -7.594 -4.608 -12.607) 15.422 9.745 ( -17.659 -2.157 -6.582) 18.968 10.054 ( -27.088 8.404 -2.172) 28.444 10.628 ( -38.986 -23.126 -0.913) 45.339 11.847 ( 14.555 4.947 7.442) 17.079 13.292 ( -8.027 0.683 0.578) 8.077 13.578 ( -5.763 -0.161 3.776) 6.892 13.864 ( -35.306 -21.347 -2.190) 41.316 15.756 ( -22.589 -12.728 3.300) 26.138 17.602 ( -6.589 -7.802 1.512) 10.323 20.680 ( -4.983 -4.162 -3.222) 7.248 21.799 ( -0.147 3.311 0.886) 3.431 21.901 ( -2.200 0.790 -0.489) 2.388 22.653 ( 3.930 0.535 -3.807) 5.498 23.259 ( 22.548 7.340 1.932) 23.791 24.359 ( 21.949 6.733 0.520) 22.965 ======================= Grid point 343 (110/489) ======================= q-point: (-0.18 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.147 ( -36.298 1.047 -7.852) 37.152 5.513 ( -43.032 -15.391 -11.829) 47.207 6.163 ( -5.105 -5.448 4.426) 8.679 6.515 ( -13.854 9.441 -1.940) 16.877 7.800 ( -9.441 -10.507 26.240) 29.800 8.038 ( -5.668 -0.957 -6.236) 8.481 8.939 ( -56.487 -22.762 -3.936) 61.028 9.634 ( -25.564 3.884 3.223) 26.057 9.996 ( -17.310 -4.272 -10.685) 20.786 11.848 ( -18.609 -10.738 5.350) 22.141 13.095 ( -17.804 -10.752 -2.041) 20.899 13.250 ( -21.094 -2.520 -1.640) 21.307 13.339 ( -3.577 -4.543 5.966) 8.308 15.454 ( -1.956 -0.483 -0.352) 2.045 17.362 ( -12.039 -8.147 1.749) 14.641 20.583 ( -1.919 -1.577 -1.551) 2.928 21.822 ( -1.192 2.149 0.820) 2.590 21.877 ( -0.954 1.123 -0.249) 1.494 22.695 ( 1.115 -0.548 -0.924) 1.548 23.753 ( 24.182 7.242 -0.279) 25.245 24.793 ( 19.742 5.581 0.222) 20.517 ======================= Grid point 344 (111/489) ======================= q-point: (-0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.441 ( -41.926 -1.379 -2.933) 42.051 4.481 ( -52.510 -14.901 -5.816) 54.892 5.988 ( -11.696 -5.191 2.638) 13.065 6.264 ( -26.214 1.886 -3.305) 26.489 7.459 ( -33.976 -19.469 -5.283) 39.514 7.665 ( -33.286 -17.253 16.121) 40.811 7.943 ( -11.357 3.701 3.897) 12.565 9.241 ( -22.514 1.466 2.388) 22.688 9.671 ( -15.313 -2.586 -10.666) 18.840 11.208 ( -31.429 -13.408 3.977) 34.400 12.252 ( -47.521 -18.619 -1.746) 51.068 13.057 ( -7.817 1.181 -0.723) 7.939 13.538 ( 17.459 4.420 0.045) 18.010 15.610 ( 13.527 5.370 -1.204) 14.604 17.021 ( -17.487 -7.844 -0.135) 19.166 20.582 ( 2.577 0.481 2.843) 3.867 21.803 ( -2.159 0.671 0.504) 2.316 21.892 ( 0.682 1.315 0.088) 1.484 22.662 ( -3.827 -1.710 0.214) 4.197 24.242 ( 23.441 6.072 -1.017) 24.236 25.159 ( 16.189 3.976 -0.368) 16.674 ======================= Grid point 345 (112/489) ======================= q-point: (-0.06 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( -46.339 -2.413 3.405) 46.526 3.364 ( -58.097 -10.420 -0.306) 59.025 5.262 ( -75.705 -15.677 12.722) 78.351 5.688 ( -18.533 -5.159 -1.373) 19.286 6.554 ( -35.119 -1.995 -22.754) 41.894 7.427 ( -0.378 -10.121 18.162) 20.795 7.793 ( -10.978 2.941 5.818) 12.767 8.904 ( -16.743 0.490 0.466) 16.757 9.322 ( -18.407 -3.696 -5.752) 19.636 10.672 ( -17.838 -5.601 0.834) 18.715 11.226 ( -47.714 -10.918 -3.064) 49.043 12.944 ( -5.764 0.337 -0.471) 5.793 13.900 ( 18.121 3.336 -5.386) 19.196 15.941 ( 16.140 5.028 -0.539) 16.913 16.603 ( -20.062 -6.288 -4.270) 21.454 20.705 ( 8.555 1.699 9.593) 12.965 21.773 ( -1.677 0.048 0.299) 1.704 21.917 ( 0.971 0.610 0.081) 1.150 22.521 ( -9.966 -2.228 0.896) 10.251 24.683 ( 20.727 3.859 -0.993) 21.107 25.436 ( 11.814 2.032 -1.391) 12.068 ======================= Grid point 349 (113/489) ======================= q-point: ( 0.18 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 0.000 39.639 22.262) 45.463 2.686 ( 0.000 53.984 17.962) 56.893 4.532 ( 0.000 86.169 44.913) 97.171 5.362 ( -0.000 20.772 -13.926) 25.008 5.746 ( -0.000 29.290 -31.402) 42.941 7.639 ( 0.000 1.886 4.724) 5.087 7.810 ( 0.000 9.631 26.975) 28.643 8.691 ( -0.000 10.668 -1.568) 10.782 8.999 ( -0.000 16.019 -10.612) 19.216 10.309 ( -0.000 33.800 -21.996) 40.328 10.764 ( 0.000 15.449 11.046) 18.991 12.865 ( -0.000 3.532 -0.546) 3.574 13.927 ( -0.000 -8.561 -23.143) 24.676 15.847 ( -0.000 25.894 -12.649) 28.818 16.523 ( 0.000 -19.782 3.041) 20.014 21.096 ( 0.000 -15.092 26.309) 30.330 21.757 ( 0.000 1.111 0.162) 1.123 21.931 ( 0.000 -1.253 0.118) 1.258 22.392 ( 0.000 13.757 3.770) 14.264 24.928 ( -0.000 -18.532 -0.515) 18.539 25.529 ( -0.000 -7.848 -5.166) 9.396 ======================= Grid point 350 (114/489) ======================= q-point: ( 0.24 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( 22.516 36.425 19.486) 47.047 3.430 ( 18.557 49.391 11.057) 53.908 5.525 ( 4.843 24.620 -8.589) 26.522 5.619 ( 15.621 52.616 18.566) 57.941 6.213 ( 20.236 41.875 -18.774) 50.154 7.629 ( -3.555 3.508 11.838) 12.848 8.045 ( 3.295 14.311 24.919) 28.924 8.876 ( 5.532 15.118 -4.763) 16.788 9.216 ( 12.208 14.606 -9.422) 21.240 10.633 ( 3.402 26.499 -7.288) 27.693 11.129 ( 11.862 37.531 -9.790) 40.560 12.939 ( 3.599 4.681 -0.218) 5.908 13.744 ( -4.075 -11.158 -14.046) 18.396 15.964 ( -1.519 -15.237 3.068) 15.617 16.447 ( 2.465 19.979 -14.796) 24.984 20.988 ( -3.381 -10.735 26.203) 28.518 21.777 ( 0.681 1.675 0.203) 1.820 21.918 ( -0.063 -1.170 -0.012) 1.172 22.548 ( 2.502 9.057 2.904) 9.835 24.663 ( -6.721 -20.684 -1.527) 21.802 25.390 ( -3.954 -10.505 -4.740) 12.184 ======================= Grid point 351 (115/489) ======================= q-point: ( 0.29 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.665 ( 26.614 34.562 18.714) 47.467 4.337 ( 28.745 41.645 2.987) 50.690 5.696 ( 1.777 14.931 -20.181) 25.167 6.345 ( 22.585 17.726 -7.718) 29.729 7.037 ( 7.398 39.611 3.901) 40.484 7.863 ( 19.944 27.631 26.800) 43.353 8.266 ( 0.490 11.998 19.897) 23.240 9.172 ( 9.449 21.317 -7.764) 24.576 9.679 ( 21.882 14.251 1.093) 26.136 10.981 ( 8.734 27.127 -6.479) 29.226 11.797 ( 20.836 37.885 -24.122) 49.511 13.074 ( 4.696 6.898 0.014) 8.345 13.531 ( -4.733 -7.390 -2.041) 9.010 15.643 ( -9.699 -17.883 -4.482) 20.831 16.806 ( 11.558 21.864 -7.618) 25.877 20.899 ( -3.083 -6.850 24.173) 25.313 21.815 ( 1.022 2.700 0.344) 2.907 21.906 ( -0.320 -0.376 -0.156) 0.518 22.654 ( 1.582 3.269 1.313) 3.862 24.281 ( -11.384 -21.306 -1.863) 24.228 25.152 ( -7.984 -13.519 -3.963) 16.193 ======================= Grid point 352 (116/489) ======================= q-point: ( 0.35 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.490 ( 22.365 32.462 19.736) 44.085 5.261 ( 31.915 32.249 -5.065) 45.653 5.820 ( 2.433 13.045 -18.474) 22.746 6.820 ( 18.544 10.312 -14.469) 25.682 7.218 ( -9.040 16.204 6.721) 19.735 8.363 ( 0.368 7.539 16.277) 17.942 8.983 ( 38.637 45.322 29.255) 66.353 9.582 ( 11.609 24.226 -6.796) 27.710 10.183 ( 16.069 14.572 8.827) 23.420 11.425 ( 12.314 18.762 -13.845) 26.370 12.409 ( 21.262 24.095 -32.720) 45.861 13.222 ( 3.031 8.261 1.357) 8.904 13.554 ( 7.155 8.749 12.997) 17.223 15.338 ( -6.079 -7.190 -11.419) 14.800 17.192 ( 12.301 13.372 -0.797) 18.187 20.852 ( -1.670 -4.495 19.620) 20.197 21.858 ( -0.353 3.180 0.244) 3.209 21.905 ( 0.105 1.402 0.151) 1.414 22.676 ( 0.021 -1.483 -0.400) 1.536 23.837 ( -13.999 -20.671 -1.055) 24.988 24.820 ( -11.374 -16.299 -3.168) 20.126 ======================= Grid point 353 (117/489) ======================= q-point: ( 0.41 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.183 ( 16.668 25.246 21.884) 37.338 5.816 ( 4.376 12.085 -17.798) 21.954 6.217 ( 26.667 27.523 -10.019) 39.611 7.145 ( 11.781 8.829 -21.702) 26.224 7.238 ( -7.791 15.393 16.904) 24.153 8.483 ( 1.532 7.282 11.785) 13.938 9.883 ( 7.374 23.665 2.852) 24.951 10.228 ( 33.244 34.456 16.273) 50.568 10.597 ( 11.564 17.983 10.055) 23.626 11.521 ( -4.041 -4.394 -19.244) 20.149 13.081 ( 33.379 27.812 -22.538) 48.946 13.371 ( 2.636 9.175 3.454) 10.152 13.859 ( 7.336 9.175 15.029) 19.075 15.322 ( 9.868 7.551 -16.890) 20.968 17.497 ( 11.085 5.197 4.372) 13.000 20.838 ( 0.189 -3.486 13.312) 13.762 21.860 ( -2.507 3.042 -0.183) 3.946 21.939 ( 0.407 2.845 0.783) 2.978 22.639 ( -0.279 -3.807 -1.998) 4.308 23.376 ( -15.094 -18.880 0.958) 24.191 24.414 ( -13.691 -18.234 -2.445) 22.933 ======================= Grid point 354 (118/489) ======================= q-point: ( 0.47 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.642 ( 12.022 1.104 18.983) 22.497 5.956 ( -3.691 28.912 -12.091) 31.555 6.865 ( 16.524 19.195 -8.499) 26.716 7.289 ( 3.534 14.059 -24.151) 28.168 7.446 ( 7.750 13.746 18.285) 24.153 8.613 ( 0.870 8.791 6.668) 11.068 10.110 ( -0.486 12.437 0.071) 12.447 10.843 ( -2.129 27.942 4.703) 28.414 11.097 ( 6.103 7.118 -15.105) 17.778 11.431 ( 17.857 6.807 18.691) 26.732 13.467 ( -0.682 2.860 7.856) 8.388 13.771 ( 7.734 16.559 -3.534) 18.614 14.207 ( 28.452 20.120 -5.692) 35.309 15.696 ( 22.169 9.991 -15.284) 28.721 17.712 ( 9.776 -1.818 7.974) 12.746 20.855 ( 3.199 -3.299 6.990) 8.365 21.833 ( -3.989 2.334 -0.232) 4.627 21.965 ( -0.256 1.691 0.516) 1.787 22.599 ( 0.712 -2.916 -4.681) 5.561 22.942 ( -14.414 -14.996 4.847) 21.357 23.969 ( -14.541 -18.588 -1.723) 23.662 ======================= Grid point 355 (119/489) ======================= q-point: ( 0.53 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.741 ( 5.208 -10.301 3.991) 12.214 6.207 ( -6.338 33.676 3.526) 34.448 7.096 ( -4.660 15.224 1.496) 15.991 7.477 ( 8.558 7.811 -18.881) 22.153 7.874 ( 16.330 18.014 5.108) 24.845 8.701 ( -3.164 9.528 0.773) 10.070 10.150 ( -2.999 3.080 -0.778) 4.369 10.791 ( -11.733 1.974 -10.219) 15.685 11.197 ( -8.820 32.774 -1.022) 33.956 12.044 ( 24.616 5.249 22.564) 33.803 13.422 ( -4.589 -4.424 9.252) 11.235 13.912 ( -7.008 21.453 0.981) 22.590 15.004 ( 34.183 17.232 -14.098) 40.794 16.110 ( 20.042 1.185 -8.733) 21.894 17.839 ( 7.593 -7.826 9.116) 14.213 20.932 ( 8.412 -3.113 2.404) 9.287 21.741 ( -5.668 -4.819 -0.339) 7.447 21.981 ( 0.111 2.609 -0.660) 2.693 22.486 ( -10.722 -5.064 -5.679) 13.147 22.717 ( 1.222 -2.141 6.841) 7.272 23.535 ( -13.246 -16.725 -0.789) 21.350 ======================= Grid point 356 (120/489) ======================= q-point: ( 0.59 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.698 ( 1.571 -9.528 -1.196) 9.730 6.380 ( -11.265 28.235 6.230) 31.031 7.122 ( -7.696 12.410 0.558) 14.613 7.635 ( 3.652 7.432 -6.049) 10.255 8.293 ( 10.851 12.582 -1.728) 16.705 8.671 ( -8.528 5.427 -5.855) 11.682 10.100 ( -3.807 2.497 -4.771) 6.595 10.659 ( -5.278 6.352 0.812) 8.299 11.322 ( -15.720 33.300 -1.037) 36.839 12.410 ( 10.776 -5.957 19.039) 22.674 13.314 ( -3.815 -3.666 7.468) 9.153 13.984 ( -11.685 23.688 0.336) 26.416 15.547 ( 16.427 3.998 -17.492) 24.327 16.390 ( 15.797 -5.355 2.613) 16.884 17.852 ( 3.683 -12.653 6.951) 14.899 21.092 ( 11.724 -4.036 0.385) 12.405 21.546 ( -4.127 -11.966 -0.823) 12.684 22.025 ( 0.542 5.012 -1.921) 5.395 22.253 ( -10.511 1.443 -1.781) 10.758 22.825 ( 6.369 2.764 2.479) 7.372 23.191 ( -7.184 -12.443 0.576) 14.380 ======================= Grid point 357 (121/489) ======================= q-point: (-0.35 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.604 ( -1.692 -7.468 -5.006) 9.148 6.418 ( -15.878 23.948 5.201) 29.201 7.094 ( -8.067 9.429 0.937) 12.444 7.710 ( -3.168 6.649 -1.663) 7.551 8.379 ( -12.558 0.338 2.323) 12.775 8.570 ( -1.223 3.225 -10.515) 11.066 10.078 ( -4.632 10.795 -7.277) 13.818 10.748 ( 5.246 7.915 6.574) 11.549 11.312 ( -20.363 28.725 -2.143) 35.276 12.363 ( -7.929 -16.626 16.051) 24.432 13.287 ( 1.565 -0.668 5.984) 6.221 13.972 ( -15.696 21.518 -0.432) 26.638 15.542 ( -7.260 -11.502 -15.300) 20.471 16.553 ( 7.167 -8.743 9.439) 14.728 17.768 ( 1.829 -13.988 2.711) 14.365 21.083 ( -3.592 -13.022 0.047) 13.509 21.545 ( 12.795 -1.991 -1.126) 12.998 22.042 ( -4.189 2.168 -0.765) 4.779 22.194 ( 0.845 8.432 -5.059) 9.869 22.840 ( -4.921 -3.584 3.069) 6.818 23.200 ( 15.068 0.186 1.053) 15.105 ======================= Grid point 358 (122/489) ======================= q-point: (-0.29 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.453 ( -7.624 -3.822 -8.006) 11.697 6.348 ( -17.253 19.004 2.706) 25.810 7.037 ( -8.991 8.093 2.703) 12.396 7.575 ( -18.315 0.549 -7.247) 19.704 8.117 ( -10.853 -3.171 11.021) 15.789 8.507 ( -6.699 -0.331 -7.054) 9.734 10.101 ( -6.797 14.964 -7.357) 18.007 10.912 ( -8.919 14.690 1.256) 17.232 11.271 ( -2.657 15.233 -0.019) 15.463 11.900 ( -24.527 -22.208 13.447) 35.715 13.354 ( 4.070 -0.913 6.075) 7.369 13.881 ( -16.242 17.382 -0.924) 23.807 15.046 ( -25.403 -20.417 -9.152) 33.852 16.447 ( -9.331 -13.354 7.800) 18.062 17.670 ( 1.867 -12.059 0.954) 12.240 20.871 ( -5.074 -10.051 -0.810) 11.288 21.753 ( 7.456 2.814 0.166) 7.972 21.980 ( -3.333 1.162 -0.504) 3.565 22.373 ( 10.277 7.221 -9.393) 15.684 22.768 ( 1.337 -2.358 6.645) 7.176 23.560 ( 21.756 3.262 0.559) 22.006 ======================= Grid point 359 (123/489) ======================= q-point: (-0.24 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.198 ( -18.104 0.986 -8.054) 19.839 6.229 ( -14.310 12.569 -1.746) 19.126 6.948 ( -11.816 6.844 0.261) 13.657 7.051 ( -31.900 -5.887 -3.682) 32.647 8.029 ( -3.352 0.067 18.912) 19.207 8.301 ( -10.942 -5.213 -8.293) 14.686 10.062 ( -13.763 13.136 -6.266) 20.031 10.682 ( -28.988 15.056 -4.272) 32.942 11.075 ( -36.068 -21.879 6.649) 42.706 11.621 ( 15.701 4.488 5.210) 17.140 13.390 ( -1.056 -2.346 5.799) 6.344 13.770 ( -12.348 10.516 0.016) 16.219 14.264 ( -34.884 -21.200 -5.123) 41.141 16.029 ( -21.357 -13.346 2.762) 25.335 17.582 ( -0.467 -9.383 1.857) 9.576 20.710 ( -4.198 -5.322 -0.895) 6.837 21.849 ( 0.053 4.453 0.680) 4.505 21.949 ( -1.879 1.101 -0.401) 2.215 22.557 ( 6.467 1.562 -7.167) 9.779 22.949 ( 17.731 2.238 4.988) 18.555 24.003 ( 23.939 3.401 0.214) 24.180 ======================= Grid point 360 (124/489) ======================= q-point: (-0.18 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.784 ( -30.320 4.143 -4.451) 30.924 6.029 ( -24.362 3.564 -11.700) 27.260 6.369 ( -26.485 -5.099 1.116) 26.995 6.842 ( -12.240 7.331 3.395) 14.665 7.965 ( -14.538 -7.779 13.516) 21.320 8.066 ( -0.604 -1.048 -1.493) 1.922 9.672 ( -43.032 -5.595 -0.692) 43.400 10.252 ( -32.636 9.567 -3.306) 34.170 10.293 ( -25.683 -6.368 1.232) 26.489 11.899 ( 6.405 -1.381 0.447) 6.567 13.269 ( -11.170 -4.306 2.544) 12.238 13.493 ( -24.568 -10.815 -6.935) 27.725 13.602 ( -17.261 -0.246 6.701) 18.518 15.575 ( -15.077 -5.232 -1.486) 16.027 17.450 ( -5.991 -7.013 1.831) 9.404 20.608 ( -2.996 -2.143 0.910) 3.794 21.877 ( -1.347 3.388 0.771) 3.727 21.920 ( -2.499 0.951 -0.383) 2.702 22.640 ( 4.018 -0.133 -2.206) 4.585 23.372 ( 24.481 3.182 0.849) 24.702 24.454 ( 23.215 2.741 -0.159) 23.376 ======================= Grid point 361 (125/489) ======================= q-point: (-0.12 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.198 ( -39.976 3.732 0.975) 40.161 5.277 ( -49.046 -3.145 -6.727) 49.605 6.122 ( -8.093 -0.546 -3.401) 8.795 6.678 ( -16.031 6.385 0.648) 17.268 7.605 ( -14.150 -11.385 -1.041) 18.191 8.057 ( -4.861 -0.804 12.770) 13.688 8.587 ( -61.731 -9.246 5.287) 62.643 9.747 ( -30.497 3.160 -2.037) 30.728 9.951 ( -17.737 3.286 -2.790) 18.253 11.644 ( -26.963 -7.922 -0.688) 28.111 12.835 ( -32.249 -7.769 -8.632) 34.276 13.255 ( -9.705 1.012 -4.833) 10.889 13.331 ( 1.390 -0.647 10.474) 10.585 15.467 ( 4.620 1.345 -2.510) 5.427 17.229 ( -12.830 -4.335 -0.277) 13.545 20.572 ( -0.249 -0.244 5.212) 5.223 21.862 ( -3.195 1.010 0.482) 3.386 21.901 ( -0.338 0.933 -0.145) 1.002 22.679 ( 0.633 -0.429 -0.398) 0.862 23.846 ( 25.589 2.328 -0.494) 25.700 24.862 ( 20.436 1.583 -0.729) 20.510 ======================= Grid point 362 (126/489) ======================= q-point: (-0.06 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.476 ( -45.415 2.000 7.157) 46.019 4.332 ( -55.403 2.083 -0.772) 55.448 5.914 ( -13.127 -2.275 -9.231) 16.208 6.292 ( -39.748 1.482 7.131) 40.410 7.202 ( -29.644 1.441 -20.959) 36.333 7.520 ( -31.396 -4.434 22.632) 38.956 8.023 ( -10.438 -0.277 11.132) 15.263 9.259 ( -24.233 -1.563 -3.598) 24.548 9.662 ( -19.327 4.714 0.912) 19.915 11.047 ( -29.454 -2.129 -2.512) 29.638 12.022 ( -48.360 -0.405 -7.652) 48.963 13.076 ( -8.744 0.262 -0.140) 8.749 13.575 ( 18.130 -0.162 -2.691) 18.329 15.672 ( 15.905 0.407 -0.438) 15.917 16.912 ( -19.247 -0.613 -5.310) 19.975 20.626 ( 4.161 0.369 11.570) 12.301 21.812 ( -2.693 -0.185 0.130) 2.702 21.908 ( 0.465 -0.042 -0.058) 0.470 22.642 ( -4.602 -0.076 0.398) 4.619 24.301 ( 24.250 0.305 -0.806) 24.265 25.193 ( 16.371 -0.061 -1.616) 16.450 ======================= Grid point 367 (127/489) ======================= q-point: ( 0.24 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.996 ( 0.000 34.670 17.249) 38.724 3.810 ( 0.000 49.561 9.376) 50.440 5.761 ( -0.000 16.134 -11.298) 19.696 5.767 ( -0.000 24.654 -13.534) 28.125 6.722 ( 0.000 80.914 19.083) 83.134 7.697 ( 0.000 1.880 4.435) 4.817 8.251 ( 0.000 16.111 31.459) 35.345 8.965 ( -0.000 16.458 -1.237) 16.504 9.222 ( -0.000 14.350 -16.000) 21.492 10.885 ( -0.000 28.571 -2.165) 28.653 11.441 ( -0.000 48.421 -19.068) 52.040 12.948 ( -0.000 4.776 -0.229) 4.782 13.642 ( -0.000 -9.921 -8.678) 13.181 15.797 ( 0.000 -21.434 -0.043) 21.434 16.632 ( -0.000 26.713 -12.165) 29.352 20.972 ( 0.000 -9.658 25.905) 27.647 21.784 ( 0.000 1.406 0.365) 1.452 21.901 ( -0.000 -1.672 -0.054) 1.673 22.622 ( 0.000 6.992 2.691) 7.492 24.495 ( -0.000 -22.691 -2.282) 22.805 25.298 ( -0.000 -12.557 -4.526) 13.348 ======================= Grid point 368 (128/489) ======================= q-point: ( 0.29 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.583 ( 22.086 31.243 15.091) 41.130 4.423 ( 12.530 43.865 3.816) 45.779 5.802 ( -1.856 13.199 -16.694) 21.362 6.158 ( 15.469 19.609 -13.699) 28.486 7.493 ( -7.221 38.390 10.822) 40.534 7.924 ( 17.169 39.567 19.677) 47.408 8.452 ( -1.200 11.292 27.108) 29.391 9.211 ( 7.389 20.045 -5.005) 21.942 9.485 ( 14.937 16.919 -4.975) 23.110 11.193 ( 1.263 31.379 -4.900) 31.784 11.930 ( 6.051 43.136 -28.449) 52.026 13.047 ( 5.010 5.946 0.010) 7.775 13.538 ( -2.212 -1.850 2.298) 3.688 15.544 ( -3.093 -19.710 -6.086) 20.859 16.912 ( 3.116 25.763 -6.464) 26.743 20.927 ( -1.730 -7.167 24.062) 25.166 21.815 ( 1.561 1.837 0.510) 2.464 21.891 ( 0.694 -1.398 -0.197) 1.573 22.678 ( -0.105 2.493 1.385) 2.854 24.202 ( -5.865 -23.067 -2.334) 23.915 25.108 ( -4.507 -15.106 -3.934) 16.248 ======================= Grid point 369 (129/489) ======================= q-point: ( 0.35 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.387 ( 28.215 27.800 15.191) 42.423 5.118 ( 20.390 33.763 -4.369) 39.683 5.902 ( 1.427 15.435 -13.945) 20.850 6.603 ( 16.881 16.346 -14.360) 27.538 7.548 ( -8.712 12.914 5.380) 16.480 8.485 ( -0.395 7.013 17.137) 18.521 8.997 ( 24.628 52.190 29.804) 64.950 9.593 ( 11.269 23.202 -5.675) 26.411 10.012 ( 22.338 18.667 5.775) 29.678 11.494 ( 1.215 21.649 -12.315) 24.937 12.346 ( 8.951 30.455 -33.493) 46.146 13.229 ( 6.590 8.187 0.769) 10.538 13.613 ( 2.044 14.140 14.664) 20.473 15.305 ( -3.011 -9.809 -12.399) 16.094 17.204 ( 4.567 18.814 -0.811) 19.377 20.883 ( -2.032 -5.107 19.949) 20.693 21.875 ( 2.156 2.791 0.758) 3.608 21.897 ( 1.204 -0.432 -0.235) 1.301 22.668 ( -1.201 -2.233 -0.371) 2.563 23.825 ( -9.842 -22.047 -1.307) 24.180 24.815 ( -8.657 -17.755 -3.228) 20.015 ======================= Grid point 370 (130/489) ======================= q-point: ( 0.41 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.115 ( 20.268 18.529 18.246) 32.970 5.748 ( 19.627 21.613 -15.118) 32.877 6.163 ( 9.699 26.669 -8.741) 29.694 6.990 ( 13.425 13.412 -15.477) 24.488 7.551 ( -7.062 12.876 8.423) 16.930 8.572 ( 0.099 5.965 15.424) 16.537 9.945 ( 21.816 14.815 -1.453) 26.411 10.069 ( 17.227 42.987 20.511) 50.649 10.626 ( 17.988 26.586 9.858) 33.579 11.519 ( -5.137 -1.135 -18.945) 19.662 12.853 ( 20.559 34.413 -25.613) 47.570 13.429 ( 3.983 10.294 4.695) 11.994 13.883 ( 5.586 12.745 16.435) 21.535 15.241 ( 3.517 6.174 -18.343) 19.671 17.436 ( 4.607 9.660 3.808) 11.360 20.844 ( -1.630 -4.118 14.023) 14.706 21.913 ( 0.054 2.021 -0.010) 2.021 21.946 ( 1.883 2.027 0.845) 2.893 22.600 ( -1.222 -5.344 -1.936) 5.814 23.417 ( -11.864 -19.702 0.671) 23.008 24.436 ( -11.620 -19.833 -2.561) 23.129 ======================= Grid point 371 (131/489) ======================= q-point: ( 0.47 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.506 ( 8.576 2.486 15.092) 17.536 6.208 ( 9.646 26.968 -9.892) 30.301 6.702 ( 19.783 24.990 -11.476) 33.876 7.271 ( 7.719 12.895 -18.855) 24.112 7.623 ( -2.622 14.135 15.577) 21.197 8.695 ( 1.871 8.169 11.271) 14.046 10.224 ( 3.709 8.919 -7.555) 12.263 10.907 ( 23.149 26.403 11.810) 37.047 11.180 ( 2.417 30.023 6.534) 30.820 11.352 ( 2.269 0.086 -3.887) 4.501 13.546 ( 1.160 5.165 5.052) 7.318 13.586 ( 24.477 28.110 -13.136) 39.520 14.138 ( 7.775 14.312 9.008) 18.613 15.459 ( 12.595 13.366 -18.896) 26.350 17.580 ( 4.758 0.077 7.132) 8.574 20.809 ( -0.350 -4.066 7.900) 8.892 21.921 ( -2.979 2.015 0.019) 3.596 21.974 ( 0.542 -0.267 0.428) 0.740 22.537 ( 1.134 -4.376 -3.046) 5.451 23.028 ( -11.963 -15.318 3.244) 19.705 24.005 ( -12.905 -20.488 -1.888) 24.287 ======================= Grid point 372 (132/489) ======================= q-point: ( 0.53 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.614 ( 2.708 -3.814 10.454) 11.453 6.574 ( 2.319 25.911 -2.334) 26.119 7.202 ( 12.102 17.453 -6.259) 22.141 7.427 ( 1.873 13.190 -20.640) 24.566 7.858 ( 8.014 15.736 12.650) 21.722 8.833 ( 0.116 9.841 4.492) 10.818 10.255 ( -3.635 3.538 -7.575) 9.117 11.035 ( -11.815 8.533 -11.179) 18.368 11.576 ( 9.539 27.118 6.159) 29.399 11.788 ( 14.984 17.767 21.245) 31.489 13.495 ( -5.825 -3.583 11.427) 13.317 14.154 ( 8.999 22.377 -6.122) 24.883 14.633 ( 24.743 23.692 -4.884) 34.603 15.775 ( 15.662 4.335 -14.214) 21.589 17.643 ( 5.596 -8.982 8.596) 13.634 20.799 ( 2.979 -4.202 3.389) 6.166 21.790 ( -7.506 -8.742 -0.604) 11.538 22.001 ( 0.864 3.039 -0.452) 3.192 22.538 ( 0.706 0.016 -5.032) 5.081 22.734 ( -7.238 -8.000 6.684) 12.691 23.575 ( -12.238 -18.910 -1.005) 22.547 ======================= Grid point 373 (133/489) ======================= q-point: ( 0.59 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.605 ( 0.006 -5.835 7.474) 9.482 6.804 ( -3.243 21.602 1.565) 21.900 7.341 ( -6.166 9.160 -5.151) 12.185 7.651 ( 7.708 15.963 -8.774) 19.779 8.217 ( 11.487 14.144 1.437) 18.277 8.866 ( -7.267 6.665 -5.241) 11.167 10.218 ( -3.586 7.665 -2.104) 8.720 10.901 ( -11.921 10.224 -4.245) 16.269 11.914 ( -7.849 35.285 -1.052) 36.162 12.186 ( 12.871 -0.757 22.500) 25.932 13.372 ( -5.271 -4.415 9.392) 11.640 14.424 ( -5.280 27.624 -1.491) 28.164 15.247 ( 20.672 13.570 -13.811) 28.323 16.020 ( 17.215 -6.824 -3.254) 18.802 17.631 ( 5.446 -16.653 7.487) 19.053 20.864 ( 8.677 -3.897 1.162) 9.582 21.515 ( -7.977 -15.352 -0.920) 17.325 22.059 ( 1.115 5.184 -1.625) 5.546 22.438 ( -9.056 1.337 -2.100) 9.392 22.730 ( 6.619 0.352 3.449) 7.473 23.204 ( -9.636 -15.147 0.284) 17.955 ======================= Grid point 374 (134/489) ======================= q-point: (-0.35 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.544 ( -1.260 -6.281 4.503) 7.830 6.912 ( -8.969 19.518 3.726) 21.801 7.275 ( -6.635 4.956 -6.466) 10.507 7.877 ( -0.401 16.038 0.936) 16.071 8.499 ( 6.003 8.850 -2.338) 10.946 8.675 ( -15.052 0.292 -12.738) 19.721 10.294 ( -2.941 16.926 1.311) 17.229 10.825 ( -5.480 8.090 -0.630) 9.792 12.013 ( -20.455 34.247 -3.345) 40.030 12.296 ( 1.680 -13.670 20.689) 24.854 13.291 ( -1.805 -2.085 7.175) 7.687 14.515 ( -16.048 27.436 -0.885) 31.797 15.458 ( 1.720 -3.794 -18.136) 18.608 16.265 ( 17.282 -8.592 8.112) 20.935 17.541 ( 4.893 -20.174 4.088) 21.158 20.967 ( 4.244 -8.722 0.970) 9.748 21.309 ( 5.358 -8.757 -1.597) 10.390 22.117 ( -1.076 4.541 -1.915) 5.044 22.318 ( -6.351 5.128 -2.313) 8.484 22.887 ( 1.397 1.192 1.601) 2.436 22.963 ( 4.331 -9.434 1.847) 10.544 ======================= Grid point 375 (135/489) ======================= q-point: (-0.29 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.459 ( -2.378 -5.506 1.578) 6.201 6.890 ( -16.163 18.156 1.173) 24.336 7.206 ( -4.407 3.004 -2.125) 5.741 7.930 ( -13.488 13.996 0.117) 19.437 8.329 ( -16.109 -3.824 -5.624) 17.486 8.583 ( -2.848 2.789 -3.963) 5.621 10.410 ( -7.126 21.922 -4.206) 23.431 10.902 ( 6.768 4.077 2.840) 8.396 11.880 ( -27.430 24.950 -4.194) 37.316 12.067 ( -14.318 -17.180 17.810) 28.589 13.299 ( 2.185 -1.263 6.528) 6.999 14.420 ( -21.890 21.118 -1.222) 30.441 15.198 ( -15.249 -14.229 -12.307) 24.216 16.393 ( 3.869 -10.127 7.676) 13.283 17.451 ( 6.540 -17.062 1.501) 18.335 20.834 ( -3.033 -10.467 0.252) 10.900 21.523 ( 18.008 -0.056 -0.963) 18.033 22.074 ( -5.424 1.380 -0.719) 5.643 22.341 ( 1.131 8.082 -5.056) 9.600 22.767 ( -3.297 -4.877 3.821) 7.018 23.217 ( 18.973 0.657 0.735) 18.998 ======================= Grid point 376 (136/489) ======================= q-point: (-0.24 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.351 ( -5.292 -3.414 -0.170) 6.300 6.728 ( -20.508 14.811 -3.025) 25.477 7.155 ( -5.797 3.092 1.873) 6.832 7.587 ( -32.087 3.722 -6.486) 32.947 8.131 ( -5.230 -0.206 2.666) 5.874 8.457 ( -11.175 -1.298 1.532) 11.354 10.448 ( -11.755 20.225 -7.984) 24.717 11.058 ( 0.614 -2.111 0.532) 2.262 11.562 ( -20.062 -15.868 16.776) 30.590 11.610 ( -26.107 17.278 -4.949) 31.696 13.348 ( 3.104 -2.515 6.712) 7.811 14.198 ( -21.563 12.504 -1.318) 24.960 14.625 ( -28.578 -15.083 -6.495) 32.961 16.216 ( -12.264 -10.240 1.636) 16.061 17.435 ( 6.285 -10.451 2.378) 12.425 20.710 ( -2.067 -5.362 0.319) 5.756 21.810 ( 11.148 2.445 -0.105) 11.414 21.999 ( -3.671 0.794 -0.269) 3.765 22.456 ( 4.996 4.982 -6.936) 9.894 22.750 ( 5.976 -2.439 5.684) 8.600 23.604 ( 23.361 1.098 0.096) 23.387 ======================= Grid point 377 (137/489) ======================= q-point: (-0.18 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.181 ( -13.203 0.035 0.931) 13.236 6.469 ( -21.190 9.028 -6.718) 23.992 6.914 ( -34.115 -0.063 -9.785) 35.491 7.106 ( -12.724 1.917 10.657) 16.708 8.046 ( -4.181 -3.862 -14.264) 15.357 8.224 ( -13.401 -0.437 18.930) 23.197 10.321 ( -25.480 13.391 -3.845) 29.040 10.629 ( -27.305 -13.637 0.254) 30.522 11.007 ( -37.353 5.445 6.515) 38.306 11.682 ( 13.790 0.987 -3.450) 14.249 13.357 ( -1.673 -3.249 6.679) 7.613 13.893 ( -27.846 -3.213 -9.017) 29.445 13.957 ( -24.588 -0.823 4.529) 25.015 15.833 ( -19.342 -5.214 -3.534) 20.342 17.437 ( 1.237 -4.814 2.821) 5.715 20.640 ( -2.283 -1.666 1.917) 3.415 21.931 ( -0.133 2.895 0.374) 2.922 21.960 ( -1.214 -0.247 -0.127) 1.246 22.557 ( 4.598 1.185 -3.334) 5.802 22.989 ( 20.108 0.045 2.459) 20.257 24.044 ( 24.867 0.846 -0.399) 24.884 ======================= Grid point 378 (138/489) ======================= q-point: (-0.12 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.847 ( -27.863 2.192 5.533) 28.492 6.061 ( -36.723 3.838 -9.493) 38.124 6.315 ( -21.051 -1.524 -3.895) 21.463 6.954 ( -10.598 0.649 8.036) 13.316 7.758 ( -14.333 -6.535 -19.391) 24.983 8.152 ( -4.001 1.239 20.297) 20.724 9.606 ( -54.552 0.672 9.847) 55.437 10.214 ( -20.259 -0.009 -12.237) 23.668 10.422 ( -32.000 1.633 10.273) 33.648 11.841 ( 1.023 -1.282 -7.749) 7.921 13.198 ( -18.045 -0.022 -3.743) 18.429 13.359 ( -16.045 -0.938 -2.071) 16.206 13.637 ( -19.487 0.150 6.223) 20.457 15.511 ( -10.688 -0.142 -5.639) 12.085 17.374 ( -6.152 -0.421 1.365) 6.316 20.605 ( -1.764 0.330 5.678) 5.954 21.918 ( -1.717 -0.909 -0.453) 1.995 21.928 ( -2.639 0.783 0.713) 2.843 22.636 ( 3.680 0.601 -0.915) 3.839 23.404 ( 25.309 -0.185 0.351) 25.312 24.477 ( 23.599 -0.055 -0.936) 23.617 ======================= Grid point 379 (139/489) ======================= q-point: (-0.06 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.269 ( -40.024 0.209 10.848) 41.468 5.316 ( -49.316 8.608 -1.393) 50.080 6.051 ( -8.957 -2.263 -12.659) 15.672 6.759 ( -14.440 -1.921 11.716) 18.695 7.408 ( -13.511 -1.351 -22.861) 26.590 8.120 ( -6.953 0.497 15.780) 17.251 8.660 ( -60.155 11.051 15.097) 62.997 9.691 ( -28.819 -4.488 -7.468) 30.107 10.054 ( -18.628 3.041 9.345) 21.061 11.588 ( -26.616 4.705 -8.344) 28.288 12.773 ( -32.171 7.493 -16.942) 37.124 13.222 ( -5.369 -1.871 -2.531) 6.224 13.385 ( -4.396 0.787 10.794) 11.681 15.453 ( 5.504 -1.231 -4.612) 7.285 17.215 ( -13.710 3.639 -1.931) 14.315 20.620 ( 0.562 0.896 11.383) 11.432 21.857 ( -2.917 -1.484 -0.136) 3.275 21.903 ( -0.706 -0.770 0.141) 1.054 22.681 ( 0.451 0.735 -0.149) 0.875 23.847 ( 25.679 -2.069 -0.365) 25.765 24.855 ( 20.344 -1.687 -1.657) 20.481 ======================= Grid point 385 (140/489) ======================= q-point: ( 0.29 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.706 ( 0.000 27.949 12.871) 30.770 4.760 ( 0.000 40.435 1.393) 40.459 5.908 ( -0.000 10.751 -13.608) 17.342 6.209 ( -0.000 23.983 -11.276) 26.501 7.770 ( 0.000 3.563 4.029) 5.379 8.333 ( 0.000 45.602 8.610) 46.408 8.678 ( 0.000 25.970 34.774) 43.401 9.324 ( -0.000 18.763 -1.048) 18.792 9.564 ( 0.000 26.908 0.709) 26.918 11.491 ( -0.000 29.299 -8.916) 30.626 12.227 ( -0.000 36.294 -33.938) 49.690 13.055 ( 0.000 5.677 0.330) 5.686 13.621 ( 0.000 12.590 11.669) 17.166 15.361 ( -0.000 -15.983 -10.003) 18.855 17.144 ( -0.000 25.449 -3.416) 25.678 20.930 ( 0.000 -6.033 22.567) 23.360 21.814 ( 0.000 1.028 0.501) 1.144 21.867 ( -0.000 -1.391 -0.267) 1.416 22.695 ( 0.000 -0.527 0.495) 0.723 24.012 ( -0.000 -23.114 -2.151) 23.214 24.978 ( -0.000 -16.955 -3.589) 17.330 ======================= Grid point 386 (141/489) ======================= q-point: ( 0.35 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.210 ( 22.145 24.280 10.989) 34.651 5.203 ( 7.643 31.428 -2.855) 32.470 6.016 ( 0.856 16.752 -8.524) 18.815 6.517 ( 10.037 20.451 -10.983) 25.290 7.775 ( -4.679 6.371 3.335) 8.579 8.551 ( 2.405 2.896 5.722) 6.849 9.228 ( 9.579 35.656 21.712) 42.832 9.636 ( 12.309 21.848 -0.802) 25.090 10.015 ( 8.023 42.473 17.899) 46.784 11.662 ( -2.412 10.658 -16.824) 20.062 12.522 ( 2.095 37.306 -31.404) 48.809 13.179 ( 6.656 6.809 0.618) 9.542 13.837 ( -1.089 21.263 18.903) 28.471 15.214 ( -0.127 -4.264 -15.723) 16.292 17.382 ( -0.307 21.440 0.408) 21.446 20.912 ( -1.479 -4.455 19.037) 19.608 21.842 ( 2.456 -0.452 0.185) 2.504 21.873 ( 1.472 0.686 0.146) 1.630 22.659 ( -1.307 -4.456 -0.942) 4.738 23.732 ( -5.112 -21.619 -0.994) 22.237 24.743 ( -4.960 -19.027 -3.053) 19.899 ======================= Grid point 387 (142/489) ======================= q-point: ( 0.41 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.927 ( 27.004 19.135 12.060) 35.226 5.627 ( 12.551 20.538 -7.761) 25.289 6.270 ( 6.313 24.275 -5.778) 25.740 6.878 ( 12.029 16.092 -12.087) 23.447 7.773 ( -4.396 8.146 4.065) 10.110 8.637 ( 2.598 2.881 10.220) 10.931 9.716 ( 16.391 10.395 4.056) 19.828 10.187 ( 20.908 26.943 1.644) 34.144 10.718 ( 10.284 47.805 27.653) 56.176 11.558 ( -5.619 -4.367 -19.659) 20.907 12.943 ( 7.041 41.556 -26.124) 49.588 13.419 ( 9.839 10.049 2.228) 14.239 14.021 ( -1.903 9.504 20.002) 22.227 15.239 ( 2.171 14.478 -20.114) 24.878 17.552 ( -2.091 14.468 3.968) 15.147 20.876 ( -2.505 -3.363 13.650) 14.280 21.884 ( 3.226 -0.749 -0.253) 3.321 21.931 ( 2.579 2.007 0.964) 3.407 22.560 ( -1.996 -7.596 -2.101) 8.130 23.402 ( -8.504 -18.692 0.790) 20.550 24.408 ( -9.113 -20.731 -2.482) 22.782 ======================= Grid point 388 (143/489) ======================= q-point: ( 0.47 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.446 ( 10.295 8.513 15.644) 20.572 6.107 ( 21.424 20.029 -11.836) 31.627 6.675 ( 11.684 24.764 -6.558) 28.156 7.197 ( 11.018 13.155 -14.212) 22.281 7.818 ( -2.239 9.167 8.947) 13.004 8.756 ( 3.134 6.146 10.426) 12.502 10.053 ( 15.510 0.074 -5.322) 16.398 10.873 ( 22.808 28.422 1.212) 36.462 11.306 ( 1.190 4.082 3.797) 5.701 11.460 ( 2.121 31.490 9.768) 33.038 13.453 ( 13.562 29.870 -20.644) 38.760 13.675 ( 2.599 12.151 7.835) 14.690 14.140 ( 7.083 7.211 11.417) 15.248 15.447 ( 3.734 21.836 -19.656) 29.616 17.614 ( -3.806 5.363 6.650) 9.353 20.820 ( -2.851 -3.070 7.906) 8.947 21.935 ( 2.771 -1.373 -0.020) 3.093 21.968 ( -0.689 0.167 0.474) 0.852 22.457 ( 0.679 -6.878 -2.037) 7.206 23.075 ( -9.625 -13.902 2.394) 17.078 24.003 ( -11.465 -21.193 -1.894) 24.170 ======================= Grid point 389 (144/489) ======================= q-point: ( 0.53 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.610 ( 0.556 2.186 13.703) 13.887 6.619 ( 14.947 17.632 -8.158) 24.513 7.118 ( 14.295 19.608 -8.121) 25.588 7.467 ( 7.118 13.359 -16.461) 22.363 7.924 ( 2.395 7.737 14.083) 16.246 8.917 ( 3.231 9.563 5.076) 11.298 10.224 ( 7.377 -1.257 -9.286) 11.926 11.216 ( -1.804 2.088 -10.955) 11.297 11.557 ( 16.217 25.783 15.161) 34.024 11.949 ( 6.063 30.173 13.427) 33.577 13.600 ( -5.892 -2.386 9.027) 11.041 14.067 ( 18.216 24.292 -11.697) 32.538 14.543 ( 17.539 20.873 4.512) 27.634 15.660 ( 3.137 14.551 -17.699) 23.127 17.562 ( -3.825 -5.306 8.000) 10.334 20.759 ( -1.686 -3.120 3.657) 5.095 21.811 ( -6.947 -12.263 -0.746) 14.114 22.008 ( 1.851 3.062 -0.215) 3.585 22.467 ( 5.027 -1.380 -0.901) 5.290 22.812 ( -8.456 -7.214 2.983) 11.508 23.585 ( -11.509 -19.533 -1.111) 22.698 ======================= Grid point 390 (145/489) ======================= q-point: ( 0.59 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.618 ( -2.826 -1.127 10.656) 11.082 6.941 ( 5.870 13.467 -1.457) 14.762 7.483 ( 3.704 11.641 -5.763) 13.508 7.607 ( 6.424 10.246 -15.407) 19.587 8.176 ( 11.215 10.598 10.293) 18.549 9.030 ( -3.155 9.399 -5.496) 11.336 10.314 ( 2.915 7.320 -2.629) 8.306 11.169 ( -6.654 5.706 -5.488) 10.342 12.020 ( 7.533 12.843 21.070) 25.800 12.352 ( 4.140 28.369 0.092) 28.669 13.460 ( -7.090 -4.314 9.292) 12.459 14.579 ( 14.654 22.042 -8.812) 27.897 15.112 ( 18.101 23.025 2.492) 29.394 15.749 ( 2.756 0.530 -13.343) 13.635 17.420 ( -1.290 -16.701 7.455) 18.335 20.735 ( 2.267 -2.627 1.532) 3.794 21.502 ( -9.417 -17.253 -0.785) 19.671 22.079 ( 2.071 4.694 -1.209) 5.271 22.552 ( 1.717 1.997 -2.489) 3.624 22.654 ( -2.768 -3.008 4.250) 5.897 23.217 ( -9.391 -15.260 0.016) 17.918 ======================= Grid point 391 (146/489) ======================= q-point: ( 0.65 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.557 ( -3.782 -2.992 7.517) 8.931 7.122 ( 0.803 10.706 4.457) 11.624 7.435 ( -8.015 3.161 -8.269) 11.942 7.902 ( 12.260 9.170 -8.505) 17.514 8.494 ( 7.999 11.158 7.443) 15.617 8.943 ( -13.544 7.614 -14.593) 21.316 10.485 ( 2.112 15.498 6.161) 16.811 11.060 ( -10.556 6.429 -7.153) 14.280 12.188 ( 2.050 -5.307 21.279) 22.026 12.620 ( -8.845 30.364 -3.688) 31.841 13.337 ( -4.281 -2.985 7.266) 8.946 14.948 ( 1.696 22.932 -5.319) 23.601 15.464 ( -6.617 14.717 -13.408) 20.979 15.845 ( 20.909 -8.393 6.232) 23.376 17.232 ( 3.408 -25.024 4.679) 25.684 20.801 ( 6.623 -2.540 1.155) 7.187 21.186 ( -4.789 -14.976 -1.112) 15.763 22.167 ( 1.323 6.367 -2.035) 6.814 22.478 ( -7.555 2.624 -1.901) 8.221 22.723 ( 8.938 -3.951 2.652) 10.125 22.960 ( -6.234 -7.638 1.056) 9.916 ======================= Grid point 392 (147/489) ======================= q-point: (-0.29 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.472 ( -3.520 -3.423 4.820) 6.880 7.211 ( -4.178 8.592 7.660) 12.245 7.299 ( -6.576 0.965 -8.082) 10.464 8.124 ( 5.398 5.877 -5.329) 9.595 8.642 ( -14.204 1.491 -3.942) 14.816 8.695 ( -8.887 12.872 -4.331) 16.230 10.697 ( 0.409 16.745 8.806) 18.924 10.929 ( -7.084 4.522 -11.182) 13.988 12.088 ( -6.898 -14.753 18.381) 24.558 12.616 ( -22.239 24.575 -3.552) 33.334 13.286 ( -0.780 -1.820 5.812) 6.140 15.020 ( -18.810 20.364 -1.416) 27.758 15.279 ( -11.345 -4.554 -13.333) 18.089 16.164 ( 14.543 -3.702 8.097) 17.052 17.104 ( 10.159 -22.309 1.506) 24.559 20.784 ( -2.433 -8.022 0.911) 8.433 21.194 ( 15.875 -2.619 -1.158) 16.131 22.188 ( -5.207 3.015 -1.039) 6.106 22.422 ( -2.037 6.256 -3.142) 7.291 22.757 ( 0.000 -9.017 2.881) 9.466 22.950 ( 10.115 1.374 0.810) 10.240 ======================= Grid point 393 (148/489) ======================= q-point: (-0.24 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.392 ( -3.148 -2.356 3.277) 5.119 7.111 ( -12.331 4.247 -5.910) 14.318 7.255 ( -3.095 2.034 6.963) 7.886 8.168 ( -9.504 6.217 -4.102) 12.075 8.222 ( -23.104 0.213 -13.127) 26.573 8.666 ( -9.352 3.286 9.542) 13.759 10.808 ( -9.079 16.209 -13.151) 22.762 10.922 ( 7.260 -1.564 5.984) 9.537 11.757 ( -16.550 -14.883 14.364) 26.490 12.327 ( -31.393 13.484 -2.328) 34.245 13.289 ( 1.992 -2.403 5.121) 5.997 14.738 ( -26.698 9.029 -2.419) 28.287 14.939 ( -20.179 -4.673 -4.434) 21.182 16.249 ( -0.412 -5.414 -0.267) 5.437 17.165 ( 13.266 -9.208 2.991) 16.423 20.687 ( -1.069 -3.843 0.652) 4.042 21.524 ( 20.408 0.295 -0.683) 20.421 22.092 ( -6.000 0.635 -0.259) 6.039 22.470 ( -0.296 6.401 -3.409) 7.258 22.681 ( 0.049 -5.076 3.303) 6.056 23.227 ( 19.363 0.079 0.185) 19.364 ======================= Grid point 394 (149/489) ======================= q-point: (-0.18 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.327 ( -4.349 0.313 3.961) 5.891 6.859 ( -18.043 0.423 -6.394) 19.147 7.202 ( -6.422 0.256 4.178) 7.665 7.641 ( -35.833 2.365 -1.554) 35.945 8.069 ( -6.117 -2.831 -14.095) 15.623 8.505 ( -13.024 0.944 14.649) 19.624 10.714 ( -9.636 2.676 -13.396) 16.717 10.966 ( -13.056 1.650 8.730) 15.792 11.399 ( -6.957 -7.679 6.118) 12.033 11.812 ( -32.209 1.880 -1.780) 32.313 13.324 ( 2.825 -2.149 4.903) 6.053 14.321 ( -24.567 0.827 -3.674) 24.854 14.469 ( -29.888 1.806 1.033) 29.960 16.080 ( -12.526 -1.538 -6.976) 14.420 17.331 ( 8.364 -0.175 4.521) 9.509 20.661 ( -0.624 0.075 1.704) 1.816 21.836 ( 12.835 -0.018 -0.487) 12.844 22.008 ( -3.931 0.095 0.062) 3.932 22.518 ( 1.217 3.128 -1.558) 3.700 22.717 ( 9.227 -2.631 2.160) 9.834 23.612 ( 23.806 -0.088 -0.455) 23.810 ======================= Grid point 395 (150/489) ======================= q-point: (-0.12 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.234 ( -11.722 3.262 8.281) 14.719 6.447 ( -21.167 -7.703 -8.779) 24.175 6.924 ( -33.139 4.623 -8.553) 34.536 7.150 ( -14.360 -3.513 16.134) 21.883 7.849 ( -9.182 -4.610 -23.903) 26.018 8.352 ( -10.034 2.546 18.748) 21.416 10.369 ( -23.286 -12.974 1.994) 26.731 10.622 ( -30.371 18.049 0.519) 35.334 11.009 ( -33.556 -8.825 6.447) 35.291 11.633 ( 12.174 -2.716 -10.170) 16.094 13.346 ( -1.214 -0.332 5.068) 5.221 13.870 ( -28.954 4.625 -8.443) 30.512 13.994 ( -24.797 2.264 5.986) 25.610 15.788 ( -18.445 3.935 -9.566) 21.147 17.445 ( 0.709 4.107 3.840) 5.667 20.660 ( -1.598 2.030 4.498) 5.187 21.925 ( -0.294 -3.141 -0.389) 3.178 21.964 ( -0.997 0.310 0.417) 1.124 22.581 ( 3.162 1.966 -0.157) 3.727 22.976 ( 21.244 -2.154 0.748) 21.366 24.039 ( 24.820 -0.944 -0.990) 24.858 ======================= Grid point 396 (151/489) ======================= q-point: (-0.06 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.921 ( -30.206 -0.454 14.610) 33.557 6.035 ( -15.124 -2.095 -10.655) 18.619 6.326 ( -36.260 7.869 -5.012) 37.441 6.929 ( -10.109 -9.000 15.870) 20.858 7.573 ( -11.369 0.481 -29.815) 31.913 8.279 ( -6.784 2.273 16.388) 17.882 9.760 ( -40.330 4.214 11.083) 42.037 10.166 ( -35.274 1.450 -5.015) 35.658 10.440 ( -22.260 -0.826 11.943) 25.275 11.782 ( 6.069 -0.293 -15.205) 16.374 13.258 ( -14.052 5.093 -0.900) 14.973 13.405 ( -24.876 7.959 -10.913) 28.307 13.680 ( -16.217 1.566 10.637) 19.457 15.515 ( -13.532 4.782 -9.621) 17.279 17.450 ( -7.092 6.519 1.862) 9.811 20.670 ( -1.452 2.453 9.158) 9.591 21.866 ( -1.432 -3.531 -0.630) 3.862 21.928 ( -2.500 -0.998 0.721) 2.787 22.656 ( 2.964 1.352 -0.147) 3.261 23.367 ( 25.099 -3.710 0.210) 25.372 24.443 ( 23.078 -2.796 -1.564) 23.300 ======================= Grid point 403 (152/489) ======================= q-point: ( 0.35 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.253 ( 0.000 20.885 8.975) 22.732 5.432 ( -0.000 25.966 -2.190) 26.058 6.179 ( -0.000 20.361 -5.168) 21.007 6.620 ( -0.000 20.605 -8.369) 22.240 7.878 ( 0.000 4.982 3.505) 6.092 8.522 ( -0.000 -1.489 -3.393) 3.705 9.456 ( 0.000 16.729 15.856) 23.049 9.695 ( -0.000 17.699 -0.963) 17.725 10.577 ( 0.000 60.609 30.072) 67.659 11.663 ( -0.000 -5.272 -21.484) 22.122 12.866 ( -0.000 45.858 -27.661) 53.555 13.179 ( 0.000 6.126 0.857) 6.186 14.085 ( 0.000 11.786 21.245) 24.295 15.212 ( -0.000 14.363 -19.562) 24.269 17.610 ( 0.000 20.368 2.492) 20.520 20.930 ( 0.000 -2.971 16.485) 16.751 21.806 ( -0.000 -1.679 -0.220) 1.693 21.867 ( 0.000 1.268 0.325) 1.309 22.607 ( -0.000 -7.690 -1.805) 7.899 23.564 ( 0.000 -19.750 -0.009) 19.750 24.580 ( -0.000 -20.448 -2.693) 20.625 ======================= Grid point 404 (153/489) ======================= q-point: ( 0.41 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.676 ( 21.893 17.314 7.590) 28.926 5.694 ( 3.359 19.927 0.301) 20.210 6.413 ( 3.044 22.695 -5.184) 23.478 6.859 ( 6.336 17.326 -8.396) 20.269 7.906 ( -2.744 5.096 2.809) 6.433 8.563 ( 7.110 -0.731 -2.019) 7.427 9.637 ( 4.265 5.741 10.812) 12.963 10.027 ( 17.311 17.404 -1.423) 24.588 11.269 ( 0.190 54.489 32.493) 63.442 11.504 ( -1.589 -7.542 -20.301) 21.715 13.255 ( 0.780 32.655 -19.745) 38.168 13.356 ( 8.600 20.994 -5.115) 23.257 14.142 ( -2.139 -4.081 17.780) 18.368 15.412 ( -0.397 31.343 -18.269) 36.281 17.780 ( -3.499 16.340 4.686) 17.356 20.924 ( -2.114 -1.404 12.090) 12.354 21.812 ( 2.775 -1.675 -0.414) 3.268 21.904 ( 2.254 1.460 0.703) 2.776 22.495 ( -1.358 -10.504 -2.124) 10.802 23.339 ( -4.363 -16.583 1.151) 17.186 24.314 ( -5.103 -21.566 -2.235) 22.274 ======================= Grid point 405 (154/489) ======================= q-point: ( 0.47 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.294 ( 23.871 12.332 9.567) 28.521 5.983 ( 9.708 17.657 0.132) 20.151 6.715 ( 7.955 19.898 -7.424) 22.679 7.123 ( 8.152 13.090 -10.383) 18.591 7.932 ( -0.897 5.480 5.067) 7.517 8.721 ( 8.536 2.739 2.067) 9.200 9.791 ( 10.051 -2.719 3.431) 10.963 10.616 ( 28.233 18.043 -4.326) 33.784 11.303 ( -1.426 -7.604 -9.253) 12.061 11.911 ( -0.897 47.741 27.063) 54.885 13.522 ( 7.075 16.463 -10.061) 20.551 13.775 ( 5.767 29.928 -9.780) 32.009 14.091 ( 2.547 -5.235 11.415) 12.814 15.678 ( -2.742 31.788 -15.921) 35.658 17.825 ( -8.247 9.903 6.343) 14.364 20.882 ( -4.091 -0.425 7.003) 8.121 21.855 ( 3.557 -2.510 -0.319) 4.365 21.958 ( 1.772 0.160 0.613) 1.882 22.361 ( 0.050 -10.197 -1.103) 10.257 23.095 ( -6.778 -11.867 1.758) 13.779 23.963 ( -8.873 -21.489 -1.729) 23.313 ======================= Grid point 406 (155/489) ======================= q-point: ( 0.53 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.662 ( 4.317 5.991 13.514) 15.399 6.445 ( 20.429 17.530 -5.614) 27.498 7.052 ( 12.199 14.274 -7.183) 20.104 7.376 ( 10.560 10.775 -12.172) 19.385 7.991 ( -0.441 3.001 9.951) 10.403 8.914 ( 7.782 6.282 1.826) 10.166 9.966 ( 14.334 -4.808 -2.755) 15.368 11.133 ( 8.144 1.173 -14.452) 16.631 11.442 ( 24.799 15.851 8.268) 30.571 12.329 ( -6.059 34.516 20.357) 40.527 13.679 ( -2.665 0.502 2.886) 3.960 14.036 ( 9.146 18.405 -8.029) 22.065 14.402 ( 18.738 16.246 0.902) 24.817 15.855 ( -5.825 24.237 -14.866) 29.024 17.715 ( -12.638 1.306 7.105) 14.557 20.811 ( -4.925 0.130 3.173) 5.860 21.784 ( -4.743 -12.556 -0.485) 13.431 21.994 ( 2.577 1.955 -0.369) 3.255 22.341 ( 5.858 -4.275 1.154) 7.344 22.888 ( -6.706 -5.410 1.317) 8.717 23.577 ( -10.301 -19.400 -1.085) 21.992 ======================= Grid point 407 (156/489) ======================= q-point: ( 0.59 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.715 ( -4.128 1.781 10.334) 11.269 6.907 ( 13.278 14.510 -2.715) 19.855 7.381 ( 13.612 8.701 -8.126) 18.084 7.614 ( 3.957 7.995 -14.281) 16.838 8.068 ( 8.631 0.263 16.032) 18.209 9.107 ( 4.355 8.749 -5.678) 11.303 10.200 ( 14.772 1.916 -0.452) 14.903 11.186 ( 3.401 -1.349 -4.060) 5.465 12.109 ( 18.821 21.547 6.843) 29.416 12.518 ( -4.190 19.708 8.233) 21.766 13.559 ( -6.842 -4.515 5.687) 9.977 14.471 ( 17.181 20.223 -8.107) 27.747 14.930 ( 22.760 12.560 4.699) 26.417 15.892 ( -9.122 16.051 -14.175) 23.276 17.444 ( -14.992 -9.450 6.828) 18.992 20.742 ( -3.560 0.989 1.307) 3.919 21.489 ( -9.383 -17.582 -0.391) 19.933 22.074 ( 3.144 3.850 -1.027) 5.076 22.436 ( 7.459 -2.819 1.887) 8.194 22.755 ( -6.193 0.527 0.236) 6.220 23.225 ( -8.967 -15.035 -0.205) 17.506 ======================= Grid point 408 (157/489) ======================= q-point: ( 0.65 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.642 ( -5.969 -1.075 6.165) 8.648 7.197 ( 4.589 11.717 5.329) 13.666 7.555 ( -5.825 -2.449 -9.721) 11.594 7.684 ( 14.310 6.002 -10.769) 18.889 8.389 ( 16.175 4.044 14.105) 21.839 9.177 ( -4.757 9.797 -13.765) 17.552 10.509 ( 12.136 8.528 6.377) 16.146 11.187 ( -1.650 -0.816 -4.571) 4.928 12.307 ( -10.152 6.396 12.527) 17.347 12.841 ( 11.985 19.019 -2.790) 22.652 13.412 ( -6.067 -3.451 4.433) 8.268 14.945 ( 15.346 17.106 -6.585) 23.906 15.431 ( 21.378 -0.097 7.596) 22.688 15.835 ( -10.696 19.614 -11.951) 25.337 17.047 ( -12.316 -22.060 5.352) 25.826 20.732 ( 0.692 2.362 0.800) 2.589 21.146 ( -8.518 -16.299 -0.432) 18.395 22.184 ( 3.826 6.468 -1.832) 7.735 22.524 ( 5.558 -5.253 1.453) 7.784 22.653 ( -6.823 1.564 0.031) 7.000 22.983 ( -4.835 -7.473 0.503) 8.915 ======================= Grid point 409 (158/489) ======================= q-point: (-0.29 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.533 ( -5.309 -2.229 3.367) 6.670 7.344 ( -0.769 7.396 9.161) 11.799 7.388 ( -6.439 -3.030 -6.796) 9.840 7.958 ( 13.471 3.077 -11.604) 18.044 8.667 ( 7.368 0.542 12.217) 14.278 9.085 ( -13.572 10.782 -12.674) 21.473 10.772 ( 5.744 5.044 10.719) 13.166 11.095 ( -6.595 3.326 -11.283) 13.486 12.147 ( -9.809 -6.149 10.801) 15.833 13.073 ( -5.917 13.638 -2.744) 15.117 13.311 ( -3.125 -2.192 3.455) 5.149 15.261 ( 2.468 12.275 -4.834) 13.422 15.502 ( -4.321 -6.402 -3.672) 8.552 16.043 ( 1.639 23.155 3.859) 23.532 16.683 ( 5.549 -28.933 1.682) 29.508 20.780 ( -2.149 -0.238 1.267) 2.506 20.946 ( 5.792 -6.778 -1.198) 8.995 22.303 ( -1.227 7.459 -1.352) 7.680 22.486 ( -0.841 -2.113 -2.086) 3.086 22.611 ( 2.626 -5.198 2.931) 6.520 22.901 ( -0.496 -0.570 0.380) 0.846 ======================= Grid point 410 (159/489) ======================= q-point: (-0.24 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.439 ( -3.616 -1.547 2.292) 4.553 7.238 ( -5.331 -2.735 -7.624) 9.697 7.378 ( -4.429 3.127 11.967) 13.138 8.128 ( 5.544 0.943 -12.374) 13.592 8.653 ( -12.853 0.781 -3.176) 13.263 8.900 ( -12.674 3.040 8.164) 15.379 10.806 ( -0.205 -7.075 -3.142) 7.744 11.053 ( -3.960 8.980 -1.564) 9.939 11.908 ( -11.307 -7.750 7.452) 15.602 12.893 ( -22.545 1.822 -1.270) 22.654 13.259 ( -0.515 -2.465 2.037) 3.239 15.198 ( -15.454 0.212 -4.731) 16.163 15.276 ( -20.091 5.702 2.794) 21.070 16.142 ( 4.709 -4.846 -3.253) 7.499 16.824 ( 19.515 0.539 3.229) 19.788 20.698 ( -2.982 -0.257 0.520) 3.038 21.169 ( 18.390 0.331 -0.406) 18.397 22.222 ( -7.987 0.345 -0.073) 7.994 22.539 ( -0.706 5.127 -1.677) 5.441 22.611 ( 3.881 -5.059 1.648) 6.586 22.965 ( 9.151 -0.227 0.220) 9.157 ======================= Grid point 411 (160/489) ======================= q-point: (-0.18 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.393 ( -1.865 1.063 3.319) 3.953 7.067 ( -10.003 -4.375 -7.390) 13.184 7.318 ( -6.092 -1.260 11.086) 12.712 8.070 ( -7.990 -5.400 -15.084) 17.904 8.276 ( -25.987 3.328 -4.606) 26.601 8.742 ( -9.700 -2.258 16.089) 18.923 10.696 ( -0.260 -10.502 -15.189) 18.468 11.062 ( -0.106 -1.236 10.937) 11.007 11.647 ( -16.585 3.785 0.709) 17.026 12.352 ( -31.434 -11.179 0.775) 33.372 13.263 ( 2.497 -1.306 1.618) 3.249 14.740 ( -26.243 -7.288 -1.951) 27.307 15.006 ( -22.524 9.902 4.544) 25.020 16.168 ( 0.735 1.081 -11.175) 11.251 17.188 ( 13.180 8.858 5.729) 16.882 20.689 ( -0.761 3.699 0.986) 3.903 21.525 ( 20.205 0.133 -0.417) 20.210 22.095 ( -6.084 -0.308 0.133) 6.093 22.525 ( 0.647 -3.693 4.200) 5.630 22.635 ( -0.600 2.926 -3.185) 4.366 23.223 ( 19.374 -0.414 -0.332) 19.381 ======================= Grid point 412 (161/489) ======================= q-point: (-0.12 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.407 ( -2.150 5.089 7.298) 9.153 6.692 ( -20.606 -14.043 -6.573) 25.788 7.191 ( -8.213 -4.225 5.349) 10.673 7.647 ( -27.456 -1.596 2.052) 27.578 7.938 ( -13.463 -0.554 -18.566) 22.941 8.593 ( -9.998 0.593 14.534) 17.651 10.457 ( -8.359 -15.971 -6.076) 19.023 11.113 ( 4.844 -5.633 5.261) 9.103 11.400 ( -23.193 15.746 -3.352) 28.233 11.650 ( -27.883 -16.073 1.030) 32.200 13.320 ( 3.815 -0.153 2.853) 4.766 14.207 ( -21.758 -11.530 -0.121) 24.625 14.682 ( -30.985 17.559 1.348) 35.640 16.103 ( -10.745 8.672 -13.338) 19.198 17.466 ( 5.721 9.663 6.172) 12.814 20.727 ( -1.165 5.363 2.580) 6.064 21.806 ( 10.755 -2.415 -0.645) 11.042 22.003 ( -3.693 -0.637 0.216) 3.754 22.560 ( 4.355 -1.156 7.066) 8.381 22.670 ( 6.824 -0.589 -5.092) 8.535 23.597 ( 23.330 -1.219 -0.871) 23.378 ======================= Grid point 413 (162/489) ======================= q-point: (-0.06 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.375 ( -15.074 3.545 16.568) 22.678 6.147 ( -14.737 -13.035 -11.983) 23.037 6.938 ( -16.013 -4.326 -1.984) 16.705 7.184 ( -28.682 2.803 14.425) 32.227 7.680 ( -9.072 0.589 -27.005) 28.495 8.473 ( -8.462 1.286 12.317) 14.999 10.111 ( -13.033 -10.868 0.954) 16.997 10.758 ( -28.615 -16.796 5.992) 33.717 11.086 ( -33.803 24.122 7.715) 42.238 11.472 ( 15.299 -7.264 -14.453) 22.265 13.376 ( -0.147 0.706 3.688) 3.758 13.779 ( -13.412 -9.603 0.834) 16.516 14.280 ( -36.647 21.667 -2.773) 42.664 15.908 ( -19.691 12.757 -13.250) 26.945 17.611 ( -1.551 8.943 5.414) 10.569 20.760 ( -2.359 5.234 5.733) 8.113 21.840 ( -0.055 -4.552 -0.638) 4.597 21.957 ( -1.730 -1.029 0.634) 2.110 22.628 ( 1.827 2.026 1.690) 3.209 22.904 ( 21.683 -5.159 -0.371) 22.292 23.991 ( 23.801 -3.415 -1.347) 24.083 ======================= Grid point 421 (163/489) ======================= q-point: ( 0.41 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.645 ( 0.000 14.281 6.100) 15.529 5.878 ( 0.000 19.227 5.938) 20.123 6.592 ( -0.000 19.822 -6.661) 20.911 6.961 ( -0.000 16.242 -6.411) 17.462 7.991 ( 0.000 4.255 3.146) 5.291 8.449 ( -0.000 -1.588 -8.229) 8.381 9.677 ( 0.000 0.764 12.651) 12.674 10.019 ( -0.000 14.259 -0.794) 14.281 11.337 ( -0.000 -12.514 -17.486) 21.503 11.934 ( 0.000 54.347 30.145) 62.148 13.306 ( 0.000 5.709 1.057) 5.806 13.693 ( -0.000 44.444 -25.865) 51.423 14.110 ( 0.000 -10.965 12.414) 16.563 15.746 ( -0.000 37.261 -13.832) 39.746 17.990 ( 0.000 15.001 5.466) 15.965 20.970 ( 0.000 1.241 9.142) 9.226 21.767 ( -0.000 -1.731 -0.512) 1.805 21.898 ( 0.000 1.345 0.510) 1.438 22.382 ( -0.000 -13.053 -1.380) 13.126 23.225 ( 0.000 -13.636 1.324) 13.700 24.132 ( -0.000 -22.121 -1.873) 22.200 ======================= Grid point 422 (164/489) ======================= q-point: ( 0.47 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.993 ( 21.518 11.033 5.220) 24.739 6.099 ( 1.283 18.020 10.691) 20.991 6.770 ( 2.806 13.753 -10.085) 17.284 7.136 ( 3.839 13.389 -7.159) 15.661 8.009 ( -1.797 3.699 3.592) 5.460 8.541 ( 11.293 1.120 -6.795) 13.227 9.680 ( 0.639 -5.341 9.716) 11.106 10.332 ( 19.308 13.111 -1.563) 23.391 11.187 ( 0.637 -9.183 -12.525) 15.544 12.495 ( -2.514 45.432 26.443) 52.627 13.453 ( 9.368 6.608 -0.194) 11.466 13.997 ( -1.907 -5.854 5.193) 8.055 14.067 ( 1.426 31.436 -18.541) 36.524 16.050 ( -3.644 33.055 -11.190) 35.087 18.085 ( -6.263 11.012 5.798) 13.932 20.982 ( -3.470 3.512 5.236) 7.197 21.774 ( 2.497 -2.022 -0.448) 3.244 21.928 ( 1.602 0.466 0.444) 1.726 22.239 ( 0.222 -13.363 0.329) 13.369 23.078 ( -3.279 -9.448 1.012) 10.052 23.862 ( -4.710 -21.465 -1.434) 22.023 ======================= Grid point 423 (165/489) ======================= q-point: ( 0.53 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.528 ( 22.102 6.991 6.087) 23.967 6.361 ( 7.255 16.919 9.518) 20.723 6.935 ( 8.651 5.620 -11.851) 15.712 7.324 ( 5.678 11.030 -8.143) 14.840 8.047 ( -0.377 2.933 6.903) 7.510 8.771 ( 12.933 2.904 -5.020) 14.174 9.694 ( 8.230 -7.227 5.268) 12.154 10.884 ( 24.055 10.799 -9.357) 27.979 11.168 ( 11.280 -2.741 1.158) 11.666 12.860 ( -7.998 32.847 17.563) 38.096 13.702 ( 4.577 4.391 0.860) 6.401 13.939 ( 9.258 -3.864 2.853) 10.430 14.382 ( 4.566 25.033 -12.333) 28.277 16.220 ( -8.142 25.435 -9.914) 28.487 18.007 ( -13.531 4.943 5.461) 15.406 20.945 ( -6.385 5.001 2.066) 8.370 21.734 ( -3.159 -10.110 0.006) 10.592 21.957 ( 2.767 0.527 -0.776) 2.921 22.185 ( 5.760 -6.886 2.661) 9.363 22.941 ( -4.362 -3.670 0.261) 5.706 23.541 ( -7.661 -18.774 -0.918) 20.298 ======================= Grid point 424 (166/489) ======================= q-point: ( 0.59 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.797 ( 1.730 2.280 5.779) 6.449 6.777 ( 17.275 15.519 2.667) 23.375 7.156 ( 15.074 -0.177 -6.961) 16.604 7.540 ( 9.353 10.145 -9.499) 16.752 8.036 ( -2.844 -3.221 12.082) 12.823 9.017 ( 11.690 4.828 -7.062) 14.486 9.890 ( 18.219 -2.476 4.549) 18.941 11.078 ( 5.154 -0.558 -7.035) 8.739 11.749 ( 36.508 10.056 3.672) 38.045 12.947 ( -14.925 18.595 6.095) 24.611 13.629 ( -5.540 -5.173 2.591) 8.010 14.325 ( 21.262 12.782 -2.366) 24.921 14.692 ( 12.531 10.147 -0.682) 16.138 16.238 ( -11.858 17.778 -9.046) 23.206 17.732 ( -20.487 -2.172 4.480) 21.083 20.881 ( -7.382 6.263 0.578) 9.698 21.476 ( -8.839 -16.170 0.280) 18.430 22.042 ( 4.194 3.153 -1.243) 5.392 22.267 ( 8.013 -4.406 3.090) 9.652 22.860 ( -4.078 2.275 -0.536) 4.700 23.226 ( -8.236 -14.434 -0.348) 16.622 ======================= Grid point 425 (167/489) ======================= q-point: ( 0.65 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.753 ( -6.075 -1.043 1.272) 6.294 7.198 ( 11.656 12.175 4.848) 17.539 7.366 ( 12.747 -4.267 -7.186) 15.242 7.703 ( -3.145 6.834 -10.490) 12.908 8.110 ( 16.896 -4.183 18.707) 25.552 9.212 ( 6.162 5.469 -12.324) 14.824 10.267 ( 21.368 1.441 8.581) 23.072 11.136 ( 3.541 -1.064 -4.294) 5.667 12.444 ( 23.835 7.759 3.386) 25.294 12.794 ( -10.700 5.648 -2.764) 12.411 13.489 ( -5.684 -3.306 0.724) 6.616 14.807 ( 16.159 14.540 -2.393) 21.870 15.049 ( 23.066 -2.986 5.971) 24.013 16.154 ( -11.079 12.527 -7.617) 18.376 17.273 ( -26.149 -8.123 2.958) 27.541 20.828 ( -5.721 6.636 0.055) 8.762 21.151 ( -9.610 -13.741 0.298) 16.770 22.156 ( 4.976 4.313 -1.392) 6.731 22.365 ( 6.859 -4.540 2.666) 8.647 22.811 ( -7.055 4.487 -1.039) 8.425 22.982 ( -4.493 -8.606 0.112) 9.709 ======================= Grid point 426 (168/489) ======================= q-point: (-0.29 -0.59 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.618 ( -6.390 -2.354 -1.401) 6.953 7.335 ( 1.793 -6.423 -3.420) 7.495 7.528 ( -2.554 8.736 10.327) 13.766 7.725 ( 10.782 2.695 -11.026) 15.655 8.459 ( 17.793 -3.653 14.666) 23.346 9.271 ( -2.080 4.216 -12.075) 12.957 10.629 ( 14.798 -2.043 10.900) 18.492 11.149 ( -0.205 1.108 -7.070) 7.160 12.358 ( -16.811 -4.260 -1.487) 17.406 13.045 ( 16.170 0.825 -0.954) 16.219 13.369 ( -5.070 -1.497 -0.329) 5.297 15.183 ( 16.558 4.963 0.220) 17.287 15.353 ( 10.116 -4.215 3.612) 11.539 16.181 ( 7.119 5.874 -2.875) 9.667 16.697 ( -29.634 -4.654 0.278) 29.999 20.819 ( 0.540 -1.055 -0.739) 1.396 20.908 ( -8.358 0.901 0.740) 8.439 22.303 ( 7.780 2.410 -0.812) 8.185 22.411 ( 1.582 -2.286 1.870) 3.351 22.674 ( -8.483 0.113 -0.909) 8.532 22.909 ( -0.964 -0.278 -0.121) 1.010 ======================= Grid point 427 (169/489) ======================= q-point: (-0.24 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.496 ( -4.383 -1.576 -1.711) 4.962 7.243 ( -2.007 -6.374 -4.363) 7.981 7.520 ( -5.647 2.680 10.074) 11.856 7.966 ( 11.395 2.566 -8.470) 14.428 8.664 ( 7.119 -5.391 9.880) 13.318 9.152 ( -11.200 -1.610 -3.093) 11.731 10.714 ( 1.029 -11.269 2.016) 11.494 11.153 ( -1.400 3.425 -2.292) 4.353 12.042 ( -10.637 -5.214 -3.397) 12.324 13.097 ( -5.337 -11.222 0.492) 12.436 13.272 ( -3.467 -1.645 -1.606) 4.159 15.322 ( -0.367 -9.106 3.217) 9.664 15.531 ( 4.260 13.744 0.709) 14.407 16.011 ( -8.613 -27.769 -0.901) 29.088 16.658 ( 9.484 26.533 -1.464) 28.215 20.768 ( -1.531 -0.567 -0.487) 1.704 20.958 ( 5.329 7.501 0.443) 9.212 22.325 ( -2.545 -6.508 1.436) 7.134 22.504 ( 3.095 4.874 0.410) 5.788 22.577 ( 0.060 2.115 -1.545) 2.620 22.896 ( -0.408 0.066 -0.223) 0.469 ======================= Grid point 428 (170/489) ======================= q-point: (-0.18 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.438 ( -1.457 1.269 0.011) 1.932 7.120 ( -4.637 -6.502 -4.470) 9.152 7.437 ( -6.457 -2.754 9.872) 12.113 8.047 ( -0.066 -4.887 -11.423) 12.424 8.634 ( -9.390 -1.815 -1.325) 9.655 8.886 ( -10.652 -7.140 13.265) 18.450 10.549 ( -1.692 -13.702 -9.345) 16.672 11.075 ( -5.283 -8.485 6.918) 12.156 11.910 ( -5.481 7.900 -5.237) 10.949 12.654 ( -22.225 -23.665 1.478) 32.498 13.230 ( 0.006 -0.432 -1.553) 1.612 15.029 ( -19.687 -18.535 -0.367) 27.042 15.451 ( -14.367 8.694 10.648) 19.884 16.018 ( 14.573 2.837 -12.146) 19.182 17.109 ( 12.580 19.703 2.275) 23.487 20.779 ( -1.783 7.526 0.123) 7.736 21.203 ( 15.515 3.266 0.151) 15.856 22.200 ( -5.924 -2.357 0.407) 6.389 22.463 ( -0.636 -6.757 2.441) 7.212 22.719 ( -0.280 9.577 -2.246) 9.840 22.943 ( 10.035 -1.865 -0.123) 10.208 ======================= Grid point 429 (171/489) ======================= q-point: (-0.12 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.478 ( 1.391 5.884 3.798) 7.140 6.840 ( -15.207 -16.543 -4.310) 22.880 7.288 ( -7.535 -6.478 7.594) 12.506 7.837 ( -8.489 -9.338 -10.096) 16.162 8.317 ( -22.547 3.049 -4.803) 23.253 8.752 ( -5.298 -3.712 13.674) 15.127 10.359 ( -1.770 -14.641 -8.644) 17.094 10.922 ( 1.795 -12.370 2.825) 12.815 11.883 ( -17.318 3.606 -1.244) 17.733 11.959 ( -21.361 -13.392 1.480) 25.255 13.254 ( 3.180 -0.285 0.500) 3.232 14.432 ( -21.764 -20.967 0.468) 30.224 15.329 ( -19.264 17.268 5.407) 26.430 16.232 ( 3.801 10.508 -13.654) 17.644 17.480 ( 8.207 14.856 5.178) 17.744 20.839 ( -2.260 10.211 0.923) 10.498 21.529 ( 17.480 0.481 -0.173) 17.487 22.080 ( -5.672 -1.283 -0.057) 5.816 22.411 ( 3.638 -8.117 4.332) 9.894 22.719 ( -4.999 5.345 -2.499) 7.733 23.207 ( 19.036 -0.892 -0.580) 19.066 ======================= Grid point 430 (172/489) ======================= q-point: (-0.06 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.605 ( -0.304 9.607 12.346) 15.646 6.261 ( -20.777 -22.479 -7.879) 31.609 7.052 ( -10.457 -11.759 3.590) 16.141 7.626 ( -9.056 0.238 -1.360) 9.161 7.928 ( -24.108 6.357 -12.299) 27.800 8.632 ( -7.230 -3.034 8.216) 11.357 10.154 ( -4.996 -9.869 0.848) 11.094 10.891 ( 1.335 -12.934 -3.224) 13.396 11.237 ( -14.179 -21.145 -4.015) 25.773 11.836 ( -21.239 21.296 5.485) 30.573 13.331 ( 5.070 -0.332 2.876) 5.838 13.896 ( -15.966 -17.453 1.160) 23.683 15.110 ( -29.412 22.321 -0.890) 36.934 16.280 ( -8.776 13.716 -13.873) 21.391 17.719 ( 2.366 10.811 6.970) 13.079 20.896 ( -3.601 9.704 2.437) 10.634 21.747 ( 6.908 -2.703 -0.500) 7.435 21.985 ( -3.090 -1.137 0.077) 3.294 22.494 ( 14.357 -7.873 6.040) 17.452 22.684 ( -2.709 3.465 -3.673) 5.730 23.548 ( 21.666 -3.274 -0.972) 21.934 ======================= Grid point 439 (173/489) ======================= q-point: ( 0.47 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.897 ( 0.000 8.168 4.460) 9.306 6.308 ( 0.000 17.886 15.732) 23.820 6.832 ( -0.000 6.957 -12.457) 14.268 7.211 ( -0.000 11.072 -6.552) 12.866 8.072 ( 0.000 2.076 3.636) 4.187 8.421 ( -0.000 3.407 -9.046) 9.666 9.644 ( 0.000 -8.292 10.211) 13.154 10.257 ( -0.000 9.240 -0.507) 9.254 11.070 ( -0.000 -6.278 -10.657) 12.369 12.999 ( 0.000 36.752 19.982) 41.833 13.412 ( 0.000 4.068 0.791) 4.144 13.924 ( 0.000 -9.965 5.972) 11.617 14.354 ( -0.000 30.177 -19.512) 35.936 16.376 ( -0.000 27.610 -7.960) 28.735 18.261 ( 0.000 8.839 4.635) 9.981 21.083 ( 0.000 7.448 2.808) 7.960 21.735 ( -0.000 -1.159 -0.507) 1.266 21.923 ( 0.000 0.885 0.469) 1.001 22.087 ( 0.000 -15.670 2.041) 15.802 23.027 ( 0.000 -5.987 0.170) 5.989 23.687 ( -0.000 -20.175 -1.052) 20.202 ======================= Grid point 440 (174/489) ======================= q-point: ( 0.53 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.178 ( 21.167 5.089 3.742) 22.090 6.522 ( -0.218 16.075 18.280) 24.343 6.837 ( 1.724 -0.778 -15.430) 15.546 7.327 ( 3.590 8.297 -7.037) 11.456 8.095 ( 0.002 2.389 5.456) 5.956 8.555 ( 10.981 3.682 -8.166) 14.171 9.562 ( 0.195 -8.744 8.426) 12.144 10.537 ( 21.193 7.487 -1.268) 22.512 11.021 ( 2.266 -3.275 -5.580) 6.856 13.304 ( -4.863 24.046 8.175) 25.859 13.573 ( 12.856 5.080 1.094) 13.867 13.819 ( -2.272 -9.152 2.914) 9.869 14.575 ( -0.547 21.048 -9.461) 23.083 16.557 ( -5.090 19.833 -5.832) 21.290 18.267 ( -8.313 4.458 2.875) 9.862 21.130 ( -5.099 9.671 0.625) 10.951 21.703 ( -3.003 -6.282 0.336) 6.971 21.909 ( 1.356 -3.089 -0.232) 3.382 22.015 ( 5.734 -6.930 3.226) 9.556 22.970 ( -1.916 -1.283 -0.523) 2.365 23.460 ( -3.903 -16.543 -0.650) 17.010 ======================= Grid point 441 (175/489) ======================= q-point: ( 0.59 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.632 ( 20.458 1.411 1.506) 20.562 6.702 ( 5.459 7.606 5.894) 11.063 6.894 ( 9.799 -0.225 -3.732) 10.488 7.471 ( 6.425 5.955 -5.153) 10.164 8.108 ( -3.274 -0.537 7.544) 8.241 8.793 ( 14.144 2.540 -8.835) 16.869 9.601 ( 11.122 -4.164 8.100) 14.375 10.974 ( 8.203 4.114 -8.870) 12.763 11.179 ( 30.646 -0.077 5.420) 31.122 13.353 ( -11.811 12.004 -3.725) 17.247 13.658 ( -4.167 -6.785 -0.863) 8.009 13.965 ( 24.230 2.764 0.998) 24.408 14.724 ( -0.005 11.123 2.512) 11.403 16.573 ( -9.796 11.614 -4.000) 15.711 18.069 ( -16.907 -0.255 0.741) 16.925 21.110 ( -8.321 9.733 -0.336) 12.810 21.481 ( -8.570 -12.734 1.184) 15.395 21.985 ( 5.496 2.743 -1.506) 6.324 22.087 ( 7.533 -4.827 3.554) 9.627 22.941 ( -2.087 2.911 -0.823) 3.676 23.225 ( -6.612 -10.603 -0.383) 12.501 ======================= Grid point 442 (176/489) ======================= q-point: (-0.35 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.797 ( 0.408 -2.521 -4.620) 5.279 6.980 ( 20.045 -4.695 -1.870) 20.673 7.125 ( 12.099 6.632 5.687) 14.924 7.675 ( 12.096 5.109 -2.106) 13.299 7.998 ( -6.689 -5.163 11.501) 14.271 9.036 ( 13.057 1.333 -12.349) 18.021 9.902 ( 21.315 -0.325 11.191) 24.076 11.059 ( 3.633 1.702 -4.634) 6.130 11.860 ( 39.948 -0.863 2.442) 40.031 13.101 ( -18.059 -3.144 -11.508) 21.643 13.545 ( -3.912 -1.416 -2.955) 5.103 14.472 ( 29.846 0.273 0.656) 29.854 14.823 ( 2.934 1.743 8.957) 9.585 16.442 ( -12.462 3.545 -1.404) 13.033 17.686 ( -24.129 -2.286 -1.720) 24.298 21.015 ( -9.126 0.016 -0.773) 9.159 21.235 ( -9.489 -0.257 1.109) 9.557 22.097 ( 4.564 1.367 -0.821) 4.835 22.202 ( 8.571 -1.891 2.297) 9.072 22.940 ( -1.003 0.464 -0.601) 1.258 23.020 ( -9.242 -0.251 -0.585) 9.264 ======================= Grid point 443 (177/489) ======================= q-point: (-0.29 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.686 ( -5.356 -3.739 -7.529) 9.968 7.154 ( 9.168 -9.489 -0.558) 13.206 7.460 ( 15.086 5.832 1.490) 16.243 7.794 ( -9.041 4.444 2.287) 10.330 8.068 ( 22.131 -7.786 15.752) 28.258 9.196 ( 8.041 -1.319 -13.859) 16.077 10.311 ( 20.409 -2.118 14.476) 25.111 11.123 ( 2.503 2.393 -6.337) 7.221 12.421 ( 17.645 -10.993 -0.413) 20.793 12.724 ( -3.159 -8.541 -11.255) 14.477 13.453 ( -5.420 0.556 -4.192) 6.874 14.896 ( 16.902 -13.188 9.463) 23.434 15.005 ( 20.370 2.635 -0.267) 20.542 16.233 ( -10.119 -4.306 3.252) 11.468 17.215 ( -26.637 3.656 -4.867) 27.323 20.821 ( -5.875 -6.996 -1.011) 9.191 21.154 ( -9.454 13.693 0.865) 16.662 22.172 ( 5.247 -3.447 0.657) 6.312 22.349 ( 6.870 3.061 0.626) 7.548 22.814 ( -7.119 -4.451 -0.666) 8.423 22.976 ( -4.586 8.762 -0.726) 9.916 ======================= Grid point 444 (178/489) ======================= q-point: (-0.24 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.545 ( -4.369 -2.404 -6.899) 8.512 7.157 ( 2.661 -8.366 -0.146) 8.780 7.636 ( -1.660 -3.264 -6.366) 7.344 7.793 ( 7.526 4.617 12.378) 15.204 8.385 ( 17.772 -9.866 12.433) 23.828 9.204 ( -0.493 -5.785 -9.663) 11.273 10.547 ( 7.128 -9.173 11.864) 16.604 11.174 ( 1.591 3.441 -6.415) 7.452 12.135 ( -11.545 -13.629 -11.507) 21.247 12.864 ( 13.592 -17.981 0.968) 22.561 13.342 ( -6.075 0.015 -5.056) 7.903 15.053 ( 14.747 -15.391 8.018) 22.774 15.347 ( 19.731 -4.305 -4.443) 20.678 15.993 ( -11.307 -11.776 10.034) 19.162 16.954 ( -11.102 20.710 -7.394) 24.634 20.718 ( 0.670 -2.613 -1.136) 2.927 21.154 ( -8.329 16.326 0.755) 18.344 22.209 ( 4.297 -6.683 1.420) 8.071 22.511 ( 6.595 5.725 0.015) 8.734 22.646 ( -7.875 -2.114 -1.075) 8.224 22.975 ( -5.010 7.498 -0.621) 9.039 ======================= Grid point 445 (179/489) ======================= q-point: (-0.18 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.470 ( -1.389 1.014 -4.431) 4.753 7.089 ( -1.200 -8.578 -0.118) 8.662 7.518 ( -5.101 -5.193 0.751) 7.318 7.937 ( 4.223 -5.681 1.832) 7.312 8.539 ( 9.941 -11.701 9.735) 18.180 9.025 ( -8.718 -7.700 -3.714) 12.210 10.454 ( -4.098 -12.654 3.037) 13.643 11.121 ( -7.589 -7.031 0.456) 10.355 11.952 ( 3.450 0.397 -10.725) 11.273 12.655 ( -8.772 -30.589 1.256) 31.847 13.250 ( -2.973 0.881 -4.263) 5.271 15.007 ( -2.880 -25.070 2.839) 25.394 15.558 ( 11.504 -13.118 -2.510) 17.627 15.852 ( 2.440 13.934 8.827) 16.674 17.162 ( 6.299 22.959 -4.811) 24.289 20.786 ( 6.757 2.517 -0.844) 7.259 21.199 ( -4.531 14.987 0.635) 15.669 22.194 ( 1.353 -6.470 1.366) 6.749 22.487 ( -7.101 -2.895 -0.729) 7.703 22.702 ( 9.274 4.223 -0.130) 10.190 22.947 ( -6.624 7.587 -0.673) 10.094 ======================= Grid point 446 (180/489) ======================= q-point: (-0.12 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.507 ( 2.420 6.089 -0.849) 6.607 6.876 ( -9.901 -18.267 -0.971) 20.801 7.350 ( -6.560 -8.888 2.440) 11.313 7.825 ( -3.993 -10.548 -2.463) 11.545 8.547 ( -1.240 -7.525 2.039) 7.895 8.805 ( -6.778 -5.037 3.442) 9.119 10.254 ( -3.840 -10.324 -1.696) 11.145 10.851 ( -7.775 -12.688 1.118) 14.923 12.042 ( -19.956 -34.716 0.779) 40.051 12.106 ( 4.940 11.367 -4.908) 13.331 13.225 ( -0.234 0.791 -1.698) 1.888 14.523 ( -16.205 -27.966 0.179) 32.323 15.642 ( 1.792 4.685 5.427) 7.390 16.169 ( 11.123 12.998 -3.267) 17.417 17.503 ( 8.344 17.246 -0.953) 19.182 20.959 ( 4.772 8.628 -0.185) 9.861 21.322 ( 5.265 8.943 0.322) 10.382 22.137 ( -1.944 -4.003 0.563) 4.486 22.338 ( -4.255 -5.926 0.481) 7.311 22.872 ( -0.008 -1.012 -0.389) 1.084 22.945 ( 5.125 9.421 -0.466) 10.735 ======================= Grid point 447 (181/489) ======================= q-point: (-0.06 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.677 ( 5.842 11.922 4.209) 13.928 6.353 ( -19.301 -27.749 -2.414) 33.888 7.104 ( -9.248 -13.619 1.643) 16.544 7.693 ( -2.714 -1.737 -2.927) 4.353 8.340 ( -15.776 0.676 -3.466) 16.166 8.685 ( -3.129 -7.305 4.207) 8.992 10.129 ( -1.345 -4.633 0.481) 4.848 10.679 ( 2.242 -9.722 -3.228) 10.486 11.328 ( -21.401 -30.461 0.261) 37.228 12.257 ( -3.935 14.595 1.798) 15.223 13.251 ( 3.039 -0.343 1.097) 3.249 13.978 ( -15.273 -21.936 0.444) 26.733 15.672 ( -10.814 13.279 1.115) 17.161 16.418 ( 3.568 11.614 -7.306) 14.178 17.775 ( 5.418 11.172 3.444) 12.885 21.086 ( -2.814 12.733 0.417) 13.047 21.553 ( 12.234 2.238 -0.029) 12.437 22.044 ( -4.808 -2.038 -0.604) 5.257 22.250 ( 3.629 -9.014 2.338) 9.994 22.811 ( -6.175 4.007 -0.634) 7.389 23.189 ( 15.083 -0.203 -0.372) 15.089 ======================= Grid point 457 (182/489) ======================= q-point: ( 0.53 0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.021 ( 0.000 2.127 3.736) 4.299 6.724 ( 0.000 11.796 16.445) 20.238 6.761 ( -0.000 -4.336 -11.880) 12.647 7.338 ( -0.000 4.692 -8.749) 9.928 8.114 ( 0.000 0.166 5.335) 5.337 8.487 ( -0.000 5.180 -6.287) 8.146 9.507 ( 0.000 -7.198 7.922) 10.704 10.384 ( -0.000 3.252 -0.206) 3.259 10.975 ( -0.000 -0.221 -4.224) 4.230 13.471 ( 0.000 1.354 0.184) 1.367 13.552 ( -0.000 13.709 -2.053) 13.862 13.765 ( -0.000 -8.283 -2.551) 8.667 14.751 ( 0.000 13.569 2.357) 13.773 16.754 ( -0.000 11.427 -2.696) 11.741 18.378 ( -0.000 1.545 -0.332) 1.580 21.289 ( -0.000 10.623 -0.581) 10.639 21.717 ( -0.000 -0.325 -0.342) 0.472 21.786 ( 0.000 -13.848 4.166) 14.461 21.937 ( 0.000 0.231 0.326) 0.400 22.984 ( -0.000 1.083 -0.921) 1.422 23.350 ( -0.000 -10.724 -0.382) 10.731 ======================= Grid point 458 (183/489) ======================= q-point: (-0.41 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.235 ( 20.689 -0.967 2.750) 20.893 6.627 ( 0.042 -10.115 -15.841) 18.795 6.896 ( 0.615 9.656 19.481) 21.751 7.395 ( 4.936 1.564 -7.028) 8.730 8.136 ( 0.543 -1.383 6.203) 6.378 8.594 ( 8.605 2.554 -5.775) 10.673 9.475 ( 1.742 -2.191 7.311) 7.828 10.616 ( 22.925 0.465 -0.423) 22.933 10.988 ( 1.339 1.587 -1.206) 2.401 13.549 ( -2.120 -1.517 -10.789) 11.100 13.627 ( 0.739 -5.883 -5.205) 7.890 13.642 ( 7.746 1.151 -3.287) 8.493 14.849 ( -1.731 4.614 13.158) 14.050 16.774 ( -5.170 2.300 0.079) 5.659 18.291 ( -9.149 -1.693 -3.497) 9.940 21.307 ( -5.583 0.768 -0.583) 5.665 21.555 ( -8.714 -1.134 1.638) 8.939 21.867 ( 9.122 0.171 1.154) 9.197 21.967 ( 3.036 -0.868 0.590) 3.213 22.982 ( -0.975 0.093 -1.019) 1.414 23.259 ( -3.701 0.205 -0.225) 3.714 ======================= Grid point 459 (184/489) ======================= q-point: (-0.35 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.598 ( 17.815 -4.273 -3.040) 18.571 6.568 ( 12.130 -11.076 -8.146) 18.335 7.058 ( 5.398 4.987 13.162) 15.074 7.504 ( 8.523 -1.975 -0.012) 8.749 8.093 ( -4.077 -3.731 5.789) 8.004 8.786 ( 12.035 0.673 -9.385) 15.277 9.620 ( 13.085 1.801 10.292) 16.745 11.032 ( 3.128 5.371 -4.089) 7.440 11.146 ( 34.948 -5.957 4.110) 35.689 13.222 ( -11.435 -18.757 -20.257) 29.882 13.608 ( -3.506 4.114 -7.071) 8.900 13.958 ( 24.865 -3.276 0.044) 25.080 14.845 ( -2.043 -5.228 17.067) 17.966 16.626 ( -9.299 -6.363 3.306) 11.742 18.019 ( -16.985 -3.029 -6.160) 18.319 21.109 ( -8.555 -10.291 -0.530) 13.393 21.478 ( -8.313 12.519 0.909) 15.055 22.012 ( 4.728 -3.273 1.699) 5.996 22.055 ( 8.303 4.271 -0.267) 9.340 22.938 ( -1.969 -2.990 -1.194) 3.774 23.227 ( -6.757 11.089 -0.114) 12.986 ======================= Grid point 460 (185/489) ======================= q-point: (-0.29 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.667 ( 0.497 -5.974 -11.008) 12.534 6.786 ( 21.097 -11.630 3.512) 24.345 7.259 ( 11.300 0.964 4.376) 12.156 7.668 ( 15.464 -8.197 8.764) 19.573 7.978 ( -6.694 -0.783 5.667) 8.806 8.951 ( 11.068 -3.438 -14.479) 18.546 9.983 ( 20.100 2.194 15.695) 25.596 11.109 ( 1.367 5.054 -3.190) 6.131 11.736 ( 37.688 -12.188 2.327) 39.677 12.731 ( -12.485 -23.543 -22.035) 34.579 13.552 ( -5.191 3.409 -8.035) 10.155 14.367 ( 25.945 -9.691 2.690) 27.826 14.793 ( 4.286 -11.683 12.504) 17.641 16.359 ( -10.626 -12.237 7.558) 17.882 17.640 ( -20.715 -0.111 -8.168) 22.267 20.867 ( -7.400 -7.279 -1.364) 10.469 21.482 ( -8.714 16.384 1.065) 18.588 22.057 ( 4.063 -3.509 0.722) 5.417 22.247 ( 8.237 4.112 0.455) 9.218 22.853 ( -3.836 -2.828 -1.576) 5.020 23.228 ( -8.550 15.075 0.020) 17.331 ======================= Grid point 461 (186/489) ======================= q-point: (-0.24 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.555 ( -2.525 -4.124 -11.056) 12.068 6.963 ( 10.368 -10.552 5.353) 15.732 7.444 ( 10.814 -6.084 -3.150) 12.801 7.843 ( 2.944 -8.138 17.781) 19.775 7.970 ( 13.753 -5.123 4.585) 15.376 9.026 ( 7.649 -8.326 -15.181) 18.928 10.354 ( 13.578 -0.720 19.561) 23.823 11.162 ( 1.043 4.167 -7.838) 8.938 12.021 ( 5.284 -25.013 -6.788) 26.451 12.374 ( 12.309 -20.576 -9.454) 25.774 13.453 ( -6.896 2.049 -8.706) 11.294 14.603 ( 17.382 -19.114 9.459) 27.512 14.893 ( 18.266 -13.764 -0.598) 22.879 16.088 ( -7.793 -11.532 12.713) 18.851 17.325 ( -15.022 8.629 -9.438) 19.728 20.718 ( -3.246 -1.960 -1.891) 4.237 21.500 ( -9.436 17.869 1.130) 20.239 22.086 ( 3.498 -4.371 0.536) 5.624 22.426 ( 7.525 3.250 0.464) 8.210 22.740 ( -5.972 -1.592 -1.918) 6.472 23.227 ( -9.401 15.733 0.129) 18.329 ======================= Grid point 462 (187/489) ======================= q-point: (-0.18 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.479 ( -0.497 -0.042 -8.444) 8.458 6.980 ( 2.990 -11.531 4.468) 12.723 7.469 ( 2.413 -9.049 -8.016) 12.327 7.835 ( 1.562 -7.940 16.709) 18.565 8.165 ( 16.710 -16.666 7.506) 24.766 8.970 ( 1.391 -10.886 -12.823) 16.878 10.457 ( -3.096 -5.282 16.270) 17.383 11.179 ( -3.726 -1.126 -4.735) 6.129 11.759 ( 5.568 -15.534 -14.023) 21.655 12.354 ( 6.731 -31.389 0.191) 32.103 13.332 ( -5.859 2.183 -7.765) 9.969 14.685 ( 10.723 -23.523 5.811) 26.497 15.064 ( 21.524 -17.452 -3.820) 27.973 15.967 ( -0.533 -0.734 16.057) 16.083 17.300 ( -0.279 16.198 -9.010) 18.537 20.710 ( 2.919 1.883 -1.820) 3.922 21.515 ( -9.555 17.435 0.950) 19.904 22.093 ( 2.634 -5.178 0.603) 5.841 22.578 ( 6.598 1.503 -1.030) 6.845 22.602 ( -7.309 -1.001 -0.749) 7.415 23.219 ( -9.899 15.969 0.227) 18.790 ======================= Grid point 463 (188/489) ======================= q-point: (-0.12 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.511 ( 3.137 5.435 -5.566) 8.388 6.813 ( -5.643 -21.621 2.902) 22.533 7.337 ( -3.506 -10.817 -5.517) 12.638 7.767 ( -1.100 -10.964 9.396) 14.481 8.275 ( 14.671 -17.826 6.663) 24.029 8.835 ( -2.283 -7.758 -9.313) 12.334 10.296 ( -8.912 -6.737 8.584) 14.089 10.934 ( -12.875 -7.595 -0.414) 14.954 11.893 ( 7.203 -17.520 -3.389) 19.243 11.981 ( 1.651 -19.786 -5.421) 20.581 13.271 ( -3.082 3.102 -4.252) 6.099 14.434 ( -6.940 -28.950 0.033) 29.771 15.348 ( 25.267 -9.809 0.203) 27.104 16.137 ( 9.143 8.261 12.517) 17.564 17.524 ( 7.311 15.199 -6.978) 18.253 20.847 ( 9.529 3.456 -1.213) 10.209 21.526 ( -8.098 15.308 0.556) 17.327 22.077 ( 1.627 -5.511 0.702) 5.789 22.436 ( -9.502 -0.352 -2.577) 9.852 22.708 ( 7.620 -1.800 0.661) 7.857 23.204 ( -10.194 15.816 0.320) 18.819 ======================= Grid point 475 (189/489) ======================= q-point: (-0.41 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.018 ( 0.000 -4.105 3.317) 5.278 6.474 ( -0.000 -12.739 -14.384) 19.214 7.022 ( 0.000 3.961 20.315) 20.698 7.317 ( -0.000 -1.954 -11.194) 11.363 8.131 ( 0.000 -1.536 7.241) 7.402 8.512 ( -0.000 -0.971 -2.865) 3.025 9.490 ( 0.000 2.481 5.585) 6.111 10.385 ( 0.000 -3.072 -0.023) 3.072 11.012 ( 0.000 4.810 0.892) 4.892 13.420 ( -0.000 -22.794 -20.173) 30.439 13.466 ( -0.000 -1.726 -0.436) 1.780 13.686 ( -0.000 6.325 -10.109) 11.925 14.906 ( 0.000 -5.331 20.393) 21.078 16.798 ( 0.000 -7.318 3.397) 8.068 18.329 ( -0.000 -4.276 -7.108) 8.295 21.294 ( 0.000 -11.363 -0.059) 11.363 21.719 ( -0.000 0.572 -0.151) 0.592 21.773 ( 0.000 12.398 2.566) 12.661 21.935 ( 0.000 -0.470 0.144) 0.492 22.979 ( -0.000 -1.165 -1.557) 1.945 23.354 ( 0.000 11.263 0.182) 11.265 ======================= Grid point 476 (190/489) ======================= q-point: (-0.35 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.163 ( 20.092 -7.176 1.779) 21.409 6.315 ( 1.536 -13.213 -10.616) 17.019 7.064 ( 0.388 -2.187 14.712) 14.879 7.324 ( 6.593 -5.583 -5.861) 10.440 8.103 ( -1.937 -4.291 6.274) 7.844 8.584 ( 9.295 -1.021 -4.110) 10.214 9.547 ( 2.192 4.826 6.227) 8.178 10.549 ( 22.544 -6.930 0.455) 23.589 11.084 ( 0.204 7.768 3.116) 8.372 13.045 ( -4.495 -31.508 -25.023) 40.486 13.564 ( 12.994 -4.503 -0.496) 13.762 13.711 ( -1.483 7.899 -10.845) 13.499 14.825 ( -2.184 -16.539 21.972) 27.587 16.648 ( -4.618 -15.880 6.551) 17.788 18.179 ( -8.359 -6.071 -9.323) 13.916 21.117 ( -5.089 -11.819 -1.255) 12.929 21.702 ( -3.086 6.633 0.307) 7.322 21.927 ( 2.069 1.656 1.978) 3.306 21.996 ( 5.102 8.032 0.851) 9.553 22.956 ( -1.852 0.819 -2.363) 3.112 23.469 ( -3.977 17.150 0.586) 17.615 ======================= Grid point 477 (191/489) ======================= q-point: (-0.29 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.438 ( 15.946 -9.129 -5.672) 19.229 6.298 ( 15.786 -12.872 0.153) 20.369 7.100 ( 6.080 -6.942 9.409) 13.179 7.379 ( 9.296 -9.976 0.564) 13.647 8.030 ( -2.135 -4.659 5.098) 7.228 8.719 ( 8.459 -2.701 -11.061) 14.184 9.749 ( 13.386 4.692 11.517) 18.272 10.967 ( 33.852 -12.681 1.426) 36.177 11.178 ( -0.899 9.312 3.201) 9.887 12.531 ( -6.391 -36.779 -26.235) 45.627 13.643 ( -1.553 1.354 -8.483) 8.730 13.886 ( 18.311 -1.822 -2.634) 18.589 14.620 ( -0.923 -25.334 18.693) 31.497 16.366 ( -6.990 -21.452 9.967) 24.665 17.895 ( -13.662 -5.307 -10.011) 17.749 20.909 ( -6.002 -7.426 -2.753) 9.937 21.739 ( -2.800 10.004 0.706) 10.413 21.967 ( 2.814 -1.498 0.552) 3.235 22.182 ( 5.114 8.352 2.417) 10.087 22.917 ( -4.215 2.966 -3.129) 6.029 23.554 ( -7.828 19.394 0.862) 20.932 ======================= Grid point 478 (192/489) ======================= q-point: (-0.24 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.476 ( 3.043 -7.213 -11.362) 13.798 6.558 ( 22.815 -13.979 9.528) 28.403 7.166 ( 10.349 -13.400 6.612) 18.176 7.479 ( 14.491 -11.208 2.519) 18.492 7.954 ( -2.632 -5.304 6.167) 8.550 8.768 ( 6.890 -7.059 -16.612) 19.320 10.125 ( 18.737 3.061 17.176) 25.602 11.213 ( -1.928 3.281 -7.568) 8.471 11.415 ( 29.016 -17.968 9.066) 35.313 12.011 ( -1.950 -34.657 -23.174) 41.736 13.570 ( -5.774 2.117 -11.183) 12.762 14.139 ( 16.362 -14.774 5.232) 22.657 14.451 ( 10.435 -24.864 7.478) 27.982 16.064 ( -4.410 -20.601 13.537) 25.042 17.591 ( -12.951 -0.754 -9.729) 16.215 20.760 ( -4.099 -2.466 -3.693) 6.043 21.795 ( -4.309 12.138 1.011) 12.920 21.997 ( 2.606 -2.404 0.046) 3.546 22.350 ( 5.140 5.665 2.541) 8.061 22.852 ( -6.549 4.588 -3.615) 8.775 23.593 ( -10.566 20.021 1.019) 22.661 ======================= Grid point 479 (193/489) ======================= q-point: (-0.18 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.433 ( 2.116 -2.827 -10.625) 11.197 6.739 ( 11.192 -16.056 9.029) 21.554 7.223 ( 11.131 -15.123 3.869) 19.172 7.626 ( 14.830 -16.052 2.120) 21.956 7.857 ( -0.745 -10.318 9.836) 14.275 8.749 ( 5.649 -10.343 -16.816) 20.535 10.450 ( 7.956 -1.250 20.264) 21.806 11.167 ( 5.026 -4.534 -16.550) 17.881 11.457 ( -2.031 -20.385 0.160) 20.487 11.815 ( 17.244 -30.090 -4.710) 34.999 13.445 ( -6.573 1.572 -11.155) 13.043 14.225 ( 16.282 -22.140 9.588) 29.107 14.494 ( 17.754 -22.590 -2.532) 28.843 15.907 ( 3.116 -13.142 16.125) 21.034 17.436 ( -4.181 6.153 -9.170) 11.808 20.703 ( -0.431 1.035 -3.893) 4.052 21.824 ( -6.692 11.658 1.014) 13.480 22.009 ( 2.076 -3.288 -0.035) 3.889 22.489 ( 4.955 2.967 2.063) 6.133 22.763 ( -8.832 6.215 -3.719) 11.422 23.601 ( -11.856 20.124 1.088) 23.383 ======================= Grid point 480 (194/489) ======================= q-point: (-0.12 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.467 ( 4.974 2.392 -9.554) 11.033 6.643 ( -0.837 -25.446 6.852) 26.365 7.224 ( 2.788 -11.977 -3.278) 12.727 7.648 ( 6.900 -16.381 3.416) 18.100 7.817 ( 10.840 -17.844 13.181) 24.691 8.695 ( 4.051 -9.211 -13.676) 16.979 10.398 ( -7.902 -10.708 10.241) 16.792 11.132 ( -12.749 -0.604 0.705) 12.782 11.418 ( 26.288 -13.349 -8.417) 30.661 11.658 ( 2.102 -33.183 -1.746) 33.296 13.356 ( -3.654 3.301 -7.143) 8.676 14.202 ( 2.357 -23.973 1.336) 24.126 14.682 ( 30.873 -19.491 1.353) 36.537 15.998 ( 12.775 -4.758 15.952) 20.984 17.518 ( 5.449 9.398 -8.376) 13.717 20.749 ( 4.593 2.447 -3.406) 6.220 21.801 ( -7.444 8.210 0.775) 11.109 22.004 ( 1.249 -3.411 -0.022) 3.633 22.594 ( 4.188 1.105 -0.624) 4.376 22.650 ( -11.018 7.622 -1.437) 13.475 23.590 ( -12.634 19.419 1.072) 23.192 ======================= Grid point 493 (195/489) ======================= q-point: (-0.35 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.883 ( 0.000 -10.568 2.586) 10.880 6.150 ( -0.000 -13.537 -6.269) 14.918 7.032 ( 0.000 -11.820 15.355) 19.377 7.166 ( -0.000 -7.216 -12.026) 14.025 8.111 ( 0.000 -4.176 8.305) 9.296 8.460 ( -0.000 -1.346 -3.909) 4.134 9.598 ( 0.000 3.745 3.854) 5.373 10.261 ( 0.000 -9.054 -0.056) 9.055 11.197 ( 0.000 11.986 7.005) 13.883 12.647 ( -0.000 -41.159 -26.956) 49.200 13.401 ( -0.000 -4.279 -0.734) 4.342 13.784 ( -0.000 8.742 -12.953) 15.627 14.671 ( 0.000 -27.949 22.685) 35.996 16.500 ( 0.000 -24.263 9.004) 25.880 18.150 ( -0.000 -8.791 -10.622) 13.788 21.038 ( -0.000 -10.897 -3.239) 11.369 21.738 ( -0.000 1.329 -0.073) 1.331 21.920 ( 0.000 -1.074 -0.012) 1.074 22.106 ( 0.000 16.429 4.816) 17.120 23.001 ( -0.000 5.557 -3.485) 6.559 23.703 ( 0.000 20.736 1.073) 20.763 ======================= Grid point 494 (196/489) ======================= q-point: (-0.29 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.959 ( 19.865 -13.548 0.628) 24.054 6.022 ( 2.745 -12.700 -0.346) 12.998 6.923 ( 2.641 -17.722 10.573) 20.804 7.122 ( 6.861 -10.218 -7.867) 14.607 8.040 ( -3.281 -5.063 7.440) 9.579 8.528 ( 7.632 -1.393 -8.432) 11.458 9.654 ( 4.286 1.366 5.458) 7.073 10.347 ( 20.595 -12.947 0.620) 24.334 11.338 ( -1.896 13.611 8.142) 15.973 12.110 ( -1.934 -46.621 -25.882) 53.359 13.450 ( 10.357 -6.220 -0.553) 12.094 13.828 ( -1.175 8.459 -14.568) 16.887 14.376 ( -1.355 -36.138 20.566) 41.602 16.216 ( -2.921 -29.677 11.277) 31.881 17.969 ( -6.365 -9.638 -10.097) 15.341 20.903 ( -2.867 -7.422 -5.320) 9.571 21.777 ( 2.475 2.143 -0.050) 3.274 21.924 ( 1.652 -0.971 -0.157) 1.923 22.278 ( -0.182 14.141 5.719) 15.255 23.042 ( -3.329 9.478 -4.090) 10.846 23.883 ( -4.766 21.983 1.358) 22.535 ======================= Grid point 495 (197/489) ======================= q-point: (-0.24 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.179 ( 17.928 -13.982 -5.606) 23.417 6.056 ( 16.247 -13.161 9.128) 22.815 6.831 ( 7.985 -23.076 8.539) 25.868 7.160 ( 10.798 -9.797 -4.986) 15.409 7.950 ( -2.745 -6.505 7.870) 10.572 8.575 ( 4.121 -4.728 -16.983) 18.105 9.856 ( 16.064 -0.820 10.257) 19.077 10.647 ( 28.743 -19.243 0.599) 34.595 11.342 ( -3.529 -15.022 -9.217) 17.974 11.635 ( -1.025 -19.713 -5.981) 20.626 13.554 ( 6.657 -6.330 -4.107) 10.062 13.838 ( 2.685 -7.672 -5.867) 10.024 14.058 ( 3.779 -30.102 10.669) 32.159 15.895 ( -1.612 -28.282 13.517) 31.387 17.716 ( -8.638 -7.848 -8.556) 14.471 20.780 ( -2.844 -3.439 -6.678) 8.032 21.858 ( 3.530 2.484 -0.020) 4.317 21.950 ( 1.996 -0.747 -0.464) 2.181 22.409 ( -0.577 10.463 5.431) 11.803 23.053 ( -7.017 12.573 -4.010) 14.947 23.988 ( -8.986 21.982 1.516) 23.796 ======================= Grid point 496 (198/489) ======================= q-point: (-0.18 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.259 ( 9.181 -10.098 -9.951) 16.890 6.300 ( 21.091 -16.996 14.569) 30.757 6.786 ( 13.821 -26.189 8.534) 30.817 7.256 ( 11.541 -9.999 -6.731) 16.688 7.826 ( -3.921 -10.853 11.253) 16.118 8.528 ( 3.617 -7.347 -20.383) 21.967 10.200 ( 21.008 -4.534 12.509) 24.867 10.731 ( 9.632 -35.857 -13.549) 39.523 11.141 ( 20.614 -31.741 -11.425) 39.535 11.560 ( -7.794 7.664 12.048) 16.267 13.504 ( -2.804 -4.055 -12.096) 13.062 13.726 ( 12.329 -30.976 14.576) 36.386 14.023 ( 11.497 -14.805 -5.639) 19.575 15.698 ( 4.157 -20.244 14.718) 25.372 17.512 ( -4.646 -3.242 -7.077) 9.065 20.708 ( -1.069 -0.521 -7.135) 7.233 21.934 ( 2.571 1.360 -0.130) 2.911 21.962 ( -0.004 -0.858 -0.311) 0.913 22.501 ( 0.119 6.735 3.950) 7.809 23.033 ( -10.177 15.126 -3.352) 18.537 24.029 ( -11.652 21.650 1.572) 24.637 ======================= Grid point 497 (199/489) ======================= q-point: (-0.12 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.306 ( 9.288 -6.610 -11.955) 16.518 6.371 ( 5.259 -23.456 11.908) 26.826 6.858 ( 20.736 -24.925 10.004) 33.931 7.269 ( 5.821 -13.689 -16.512) 22.224 7.684 ( -0.823 -12.844 21.902) 25.403 8.482 ( 5.253 -7.524 -17.784) 20.012 10.353 ( -1.018 -18.871 6.727) 20.061 10.666 ( 32.820 -23.455 -12.550) 42.246 11.064 ( 7.641 -32.740 -8.553) 34.691 11.544 ( -7.688 7.422 14.805) 18.259 13.398 ( -1.251 -2.030 -9.335) 9.635 13.799 ( 22.007 -24.313 11.789) 34.848 14.036 ( 12.325 -18.822 -6.026) 23.291 15.702 ( 12.056 -13.704 14.423) 23.263 17.481 ( 3.568 1.745 -6.115) 7.292 20.700 ( 1.862 0.860 -6.763) 7.067 21.923 ( -2.705 -1.936 0.286) 3.338 21.968 ( 0.718 -0.431 -0.469) 0.960 22.574 ( 1.102 4.085 1.801) 4.598 22.987 ( -12.882 16.713 -2.221) 21.218 24.030 ( -13.170 20.881 1.515) 24.733 ======================= Grid point 511 (200/489) ======================= q-point: (-0.29 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.609 ( 0.000 -17.391 1.186) 17.432 5.878 ( 0.000 -13.613 5.937) 14.851 6.703 ( 0.000 -24.410 8.563) 25.868 6.924 ( -0.000 -11.060 -10.892) 15.523 8.036 ( 0.000 -7.081 8.637) 11.169 8.435 ( -0.000 1.649 -10.256) 10.388 9.612 ( 0.000 -4.909 3.171) 5.844 10.023 ( -0.000 -14.059 -0.353) 14.063 11.433 ( -0.000 -26.962 -14.436) 30.584 11.654 ( 0.000 -10.965 1.733) 11.101 13.294 ( -0.000 -5.694 -0.562) 5.722 13.869 ( -0.000 -1.069 -14.283) 14.323 14.045 ( 0.000 -35.533 16.922) 39.357 15.939 ( 0.000 -33.548 12.293) 35.729 17.888 ( -0.000 -12.334 -8.559) 15.012 20.841 ( -0.000 -5.897 -8.051) 9.980 21.770 ( -0.000 1.772 -0.190) 1.782 21.893 ( -0.000 -1.429 -0.076) 1.431 22.437 ( 0.000 12.475 6.112) 13.892 23.189 ( -0.000 14.808 -3.703) 15.264 24.158 ( 0.000 22.609 1.617) 22.667 ======================= Grid point 512 (201/489) ======================= q-point: (-0.24 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.613 ( 20.353 -20.519 -0.850) 28.914 5.778 ( 4.306 -15.803 11.688) 20.122 6.491 ( 3.359 -25.345 5.195) 26.089 6.860 ( 8.502 -12.003 -7.579) 16.547 7.953 ( -2.673 -7.638 8.986) 12.093 8.447 ( 2.102 -0.876 -17.543) 17.691 9.603 ( 8.297 -10.409 4.396) 14.018 10.037 ( 17.987 -17.482 0.284) 25.084 10.867 ( 0.467 -54.943 -22.973) 59.554 11.756 ( -3.037 12.730 14.163) 19.284 13.313 ( 8.310 -6.841 -0.597) 10.780 13.581 ( -0.273 -41.420 14.043) 43.736 13.897 ( -1.492 -3.513 -14.484) 14.978 15.642 ( 0.102 -28.089 13.153) 31.017 17.700 ( -3.841 -13.049 -6.174) 14.938 20.760 ( -1.162 -3.320 -9.920) 10.525 21.814 ( 2.821 1.644 -0.274) 3.277 21.897 ( 1.943 -1.463 -0.230) 2.443 22.547 ( -1.359 8.939 4.917) 10.292 23.313 ( -4.642 18.559 -2.424) 19.284 24.344 ( -5.155 22.060 1.756) 22.722 ======================= Grid point 513 (202/489) ======================= q-point: (-0.18 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.795 ( 22.643 -21.774 -5.700) 31.926 5.807 ( 16.704 -20.645 16.301) 31.161 6.345 ( 7.053 -23.171 4.156) 24.574 6.927 ( 12.969 -10.785 -4.386) 17.428 7.818 ( -4.801 -11.362 10.431) 16.153 8.385 ( 0.210 -4.041 -23.645) 23.989 9.698 ( 19.808 -25.344 -1.678) 32.210 10.164 ( 14.498 -28.712 1.561) 32.203 10.431 ( 16.184 -34.440 -13.622) 40.418 11.800 ( -5.845 5.003 13.351) 15.409 13.242 ( 5.046 -35.527 13.772) 38.436 13.388 ( 6.916 -8.942 -0.001) 11.305 13.768 ( 1.598 -12.196 -15.220) 19.569 15.474 ( 2.651 -15.394 12.468) 19.986 17.494 ( -3.030 -11.180 -3.975) 12.246 20.695 ( -0.797 -1.092 -10.642) 10.728 21.885 ( 3.331 0.724 -0.261) 3.419 21.920 ( 2.305 -1.922 -0.424) 3.031 22.600 ( -1.904 5.822 3.187) 6.905 23.388 ( -9.122 20.711 -1.223) 22.664 24.439 ( -9.231 21.213 1.801) 23.204 ======================= Grid point 514 (203/489) ======================= q-point: (-0.12 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.905 ( 17.484 -21.641 -10.668) 29.797 5.972 ( 22.065 -25.960 14.931) 37.198 6.277 ( 9.448 -21.926 6.573) 24.763 7.020 ( 8.717 -9.357 -8.861) 15.559 7.623 ( -3.146 -15.561 17.259) 23.450 8.302 ( 2.292 -4.742 -21.412) 22.050 9.706 ( 28.495 -45.650 -18.216) 56.813 10.124 ( 10.567 -18.205 12.686) 24.577 10.494 ( 17.699 -25.591 -9.868) 32.643 11.763 ( -3.124 0.458 13.907) 14.261 13.139 ( 15.027 -25.229 13.286) 32.231 13.361 ( 3.033 -9.011 -3.042) 9.982 13.695 ( 8.778 -15.335 -10.053) 20.329 15.452 ( 4.679 -8.576 10.802) 14.564 17.388 ( 3.068 -6.766 -2.567) 7.860 20.663 ( 0.621 0.067 -10.322) 10.341 21.915 ( 0.032 -2.062 0.336) 2.089 21.934 ( 1.954 -1.849 -0.837) 2.818 22.627 ( -1.077 4.091 1.616) 4.529 23.407 ( -12.655 21.260 -0.604) 24.749 24.468 ( -11.818 20.265 1.742) 23.524 ======================= Grid point 529 (204/489) ======================= q-point: (-0.24 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.183 ( -0.000 -24.723 -0.705) 24.733 5.556 ( 0.000 -27.666 15.123) 31.529 6.254 ( 0.000 -17.699 4.884) 18.360 6.618 ( -0.000 -14.522 -8.084) 16.621 7.915 ( 0.000 -8.284 8.282) 11.715 8.390 ( -0.000 -0.049 -20.884) 20.885 9.347 ( -0.000 -28.386 -0.814) 28.397 9.696 ( -0.000 -17.435 -0.849) 17.455 10.258 ( -0.000 -50.287 -13.732) 52.128 11.910 ( 0.000 2.657 12.423) 12.704 13.172 ( 0.000 -5.948 -0.042) 5.949 13.200 ( 0.000 -38.736 19.415) 43.329 13.795 ( -0.000 -13.186 -19.331) 23.399 15.436 ( 0.000 -15.611 11.740) 19.533 17.569 ( -0.000 -16.293 -3.175) 16.599 20.716 ( -0.000 -1.846 -12.263) 12.401 21.803 ( -0.000 1.425 -0.566) 1.533 21.866 ( 0.000 -1.050 0.077) 1.053 22.643 ( 0.000 5.507 3.094) 6.316 23.561 ( -0.000 21.950 -0.416) 21.954 24.614 ( 0.000 21.008 1.888) 21.092 ======================= Grid point 530 (205/489) ======================= q-point: (-0.18 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.110 ( 20.836 -28.178 -2.610) 35.142 5.321 ( 9.058 -37.601 12.801) 40.740 6.128 ( 0.194 -10.701 6.602) 12.575 6.565 ( 11.947 -14.159 -3.321) 18.821 7.809 ( -4.519 -10.444 7.526) 13.643 8.306 ( -1.105 -3.499 -26.344) 26.598 8.993 ( 10.875 -55.921 -10.906) 58.003 9.652 ( 14.439 -20.079 0.837) 24.746 9.902 ( 6.993 -24.840 0.776) 25.817 11.835 ( -1.390 -18.035 7.069) 19.421 12.911 ( 0.683 -29.046 22.502) 36.749 13.180 ( 6.691 -6.645 1.366) 9.528 13.571 ( -1.045 -16.187 -18.504) 24.607 15.390 ( 0.458 -0.458 8.679) 8.703 17.378 ( -1.038 -17.116 -0.448) 17.153 20.671 ( -0.500 -0.043 -13.211) 13.220 21.834 ( 2.463 -0.050 -0.813) 2.594 21.874 ( 1.347 -0.143 0.221) 1.372 22.677 ( -1.097 2.436 1.468) 3.048 23.745 ( -5.505 23.295 0.778) 23.949 24.780 ( -5.045 19.626 1.928) 20.356 ======================= Grid point 531 (206/489) ======================= q-point: (-0.12 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.225 ( 24.932 -31.288 -6.734) 40.569 5.221 ( 22.693 -40.993 8.580) 47.634 6.075 ( 2.587 -9.124 9.392) 13.347 6.688 ( 15.448 -11.854 -0.900) 19.493 7.568 ( -6.584 -17.179 6.736) 19.591 8.188 ( 0.381 -6.038 -21.971) 22.789 8.661 ( 24.158 -57.265 -15.622) 64.086 9.708 ( 14.535 -23.502 8.000) 28.768 9.952 ( 17.038 -14.863 -2.439) 22.741 11.622 ( 4.826 -26.459 5.254) 27.404 12.733 ( 8.702 -29.636 19.706) 36.638 13.231 ( 5.158 -6.775 1.912) 8.727 13.415 ( 0.606 -5.443 -12.955) 14.065 15.437 ( -1.483 5.758 6.021) 8.462 17.223 ( 2.930 -14.774 1.305) 15.119 20.637 ( -0.370 1.045 -12.830) 12.877 21.866 ( 2.337 -2.469 -0.615) 3.455 21.900 ( 1.015 0.303 0.164) 1.072 22.676 ( -0.757 0.836 0.559) 1.258 23.841 ( -10.503 23.030 0.878) 25.327 24.853 ( -8.833 18.326 1.854) 20.428 ======================= Grid point 547 (207/489) ======================= q-point: (-0.18 -0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.595 ( -0.000 -32.294 -2.299) 32.375 4.818 ( 0.000 -47.891 8.505) 48.640 6.091 ( 0.000 -6.394 12.398) 13.949 6.256 ( -0.000 -18.077 -4.608) 18.655 7.794 ( 0.000 -6.893 7.186) 9.958 8.177 ( -0.000 -41.205 -30.493) 51.261 8.196 ( -0.000 -40.797 -12.420) 42.645 9.322 ( -0.000 -18.317 -1.339) 18.366 9.652 ( 0.000 -16.304 10.830) 19.573 11.563 ( 0.000 -34.586 0.943) 34.599 12.609 ( 0.000 -42.332 18.378) 46.149 13.056 ( 0.000 -5.483 0.523) 5.508 13.476 ( -0.000 3.034 -7.937) 8.497 15.465 ( 0.000 11.064 4.744) 12.038 17.194 ( 0.000 -20.363 2.706) 20.542 20.653 ( -0.000 1.970 -14.199) 14.335 21.804 ( -0.000 -0.906 -0.747) 1.174 21.869 ( 0.000 1.283 0.085) 1.286 22.693 ( 0.000 -1.285 0.064) 1.286 24.041 ( 0.000 24.037 1.822) 24.106 25.019 ( 0.000 17.663 1.976) 17.773 ======================= Grid point 548 (208/489) ======================= q-point: (-0.12 -0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.445 ( 20.804 -35.587 -3.810) 41.398 4.441 ( 13.779 -50.667 5.011) 52.746 5.973 ( -0.140 -12.284 6.246) 13.781 6.253 ( 15.310 -19.002 1.298) 24.437 7.423 ( 0.694 -52.035 2.407) 52.096 7.751 ( 3.930 -28.440 -7.895) 29.776 8.051 ( 5.216 -9.275 -24.825) 27.010 9.250 ( 11.650 -19.053 -0.043) 22.333 9.597 ( 7.728 -13.982 10.096) 18.899 11.225 ( 3.086 -33.768 -0.738) 33.916 12.209 ( 7.294 -49.301 10.544) 50.941 13.052 ( 5.029 -6.081 0.655) 7.919 13.534 ( -4.449 14.312 0.866) 15.012 15.598 ( -2.105 15.256 2.090) 15.542 17.003 ( 1.945 -20.468 4.644) 21.078 20.641 ( -0.937 3.641 -13.553) 14.065 21.807 ( 1.588 -1.620 -0.574) 2.340 21.892 ( 0.750 1.293 0.004) 1.495 22.664 ( 0.314 -3.813 -0.552) 3.866 24.232 ( -6.250 23.270 1.731) 24.156 25.151 ( -4.645 15.834 1.881) 16.608 ======================= Grid point 565 (209/489) ======================= q-point: (-0.12 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( -0.000 -39.430 -2.491) 39.508 3.769 ( 0.000 -56.652 2.441) 56.704 5.748 ( -0.000 -47.163 -7.031) 47.684 5.848 ( -0.000 -20.010 -2.224) 20.133 6.760 ( 0.000 -52.035 20.208) 55.821 7.706 ( 0.000 -4.889 5.772) 7.564 7.759 ( -0.000 -14.546 -36.950) 39.710 8.962 ( -0.000 -15.721 -1.574) 15.800 9.420 ( 0.000 -14.777 12.039) 19.061 10.876 ( -0.000 -27.285 -3.193) 27.471 11.619 ( 0.000 -53.763 5.881) 54.083 12.956 ( 0.000 -4.698 0.837) 4.772 13.758 ( 0.000 18.083 5.423) 18.879 15.793 ( 0.000 17.584 0.576) 17.593 16.778 ( 0.000 -22.035 5.499) 22.711 20.675 ( -0.000 6.774 -12.395) 14.125 21.777 ( -0.000 -1.240 -0.569) 1.364 21.901 ( -0.000 1.598 -0.142) 1.605 22.594 ( -0.000 -8.074 -1.146) 8.155 24.526 ( 0.000 22.223 1.794) 22.295 25.345 ( 0.000 13.371 1.759) 13.487 ======================= Grid point 620 (210/489) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 0.000 0.000 58.709) 58.709 0.837 ( 0.000 0.000 58.709) 58.709 1.576 ( 0.000 0.000 111.062) 111.062 4.912 ( -0.000 -0.000 -16.387) 16.387 4.912 ( -0.000 -0.000 -16.387) 16.387 7.585 ( 0.000 0.000 7.788) 7.788 7.585 ( 0.000 0.000 7.788) 7.788 8.498 ( -0.000 -0.000 -2.867) 2.867 8.498 ( -0.000 -0.000 -2.867) 2.867 10.052 ( -0.000 -0.000 -47.557) 47.557 11.150 ( 0.000 0.000 7.250) 7.250 12.794 ( -0.000 -0.000 -0.223) 0.223 12.794 ( -0.000 -0.000 -0.223) 0.223 14.680 ( 0.000 0.000 19.515) 19.515 17.853 ( -0.000 -0.000 -3.146) 3.146 21.729 ( -0.000 -0.000 -0.372) 0.372 21.729 ( -0.000 -0.000 -0.372) 0.372 21.957 ( 0.000 0.000 0.150) 0.150 21.957 ( 0.000 0.000 0.150) 0.150 25.342 ( 0.000 0.000 1.190) 1.190 25.727 ( -0.000 -0.000 -1.122) 1.122 ======================= Grid point 621 (211/489) ======================= q-point: ( 0.18 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 31.726 18.317 41.408) 55.287 1.608 ( 43.272 24.983 33.866) 60.361 2.761 ( 65.192 37.639 71.658) 103.930 4.959 ( 8.134 4.696 -19.668) 21.796 5.246 ( 27.260 15.739 -23.400) 39.223 7.605 ( -2.676 -1.545 12.134) 12.521 7.681 ( 4.800 2.771 10.680) 12.033 8.512 ( 2.519 1.454 -4.309) 5.199 8.668 ( 14.256 8.230 -2.680) 16.678 9.824 ( 5.740 3.314 -31.884) 32.566 10.713 ( -7.106 -4.103 27.644) 28.836 12.822 ( 2.058 1.188 0.075) 2.378 13.879 ( 21.789 12.580 -56.829) 62.149 15.118 ( 34.276 19.789 -7.016) 40.195 17.158 ( -36.798 -21.245 20.781) 47.300 21.474 ( -18.384 -10.614 21.219) 30.015 21.730 ( 0.309 0.179 -0.526) 0.636 21.949 ( -0.662 -0.382 0.075) 0.768 22.072 ( 13.461 7.772 5.517) 16.493 25.245 ( -8.997 -5.194 2.146) 10.608 25.647 ( -3.966 -2.290 -4.627) 6.510 ======================= Grid point 622 (212/489) ======================= q-point: ( 0.24 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 35.337 20.402 30.290) 50.817 2.762 ( 48.279 27.874 18.225) 58.651 4.543 ( 70.395 40.642 47.132) 93.961 5.170 ( 13.257 7.654 -22.069) 26.858 5.954 ( 35.471 20.479 -28.935) 50.148 7.532 ( -4.707 -2.718 19.898) 20.627 7.845 ( 6.386 3.687 13.180) 15.103 8.613 ( 7.562 4.366 -5.926) 10.553 9.109 ( 22.652 13.078 -2.514) 26.277 10.172 ( 24.134 13.934 -26.930) 38.753 10.803 ( 12.636 7.295 8.848) 17.064 12.888 ( 3.456 1.995 0.373) 4.008 13.879 ( -5.912 -3.414 -23.258) 24.239 15.895 ( 31.655 18.276 -14.885) 39.466 16.447 ( -27.239 -15.726 5.865) 31.995 21.170 ( -12.464 -7.196 26.791) 30.412 21.742 ( 0.812 0.469 -0.425) 1.029 21.927 ( -1.205 -0.696 -0.073) 1.394 22.389 ( 11.414 6.590 3.529) 13.644 24.950 ( -15.761 -9.100 0.462) 18.205 25.514 ( -6.796 -3.924 -5.689) 9.692 ======================= Grid point 623 (213/489) ======================= q-point: ( 0.29 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.213 ( 33.199 19.168 25.195) 45.873 3.928 ( 47.860 27.632 8.397) 55.898 5.441 ( 13.701 7.910 -22.941) 27.867 6.091 ( 47.836 27.618 31.225) 63.451 6.626 ( 23.815 13.750 -35.950) 45.262 7.667 ( 18.711 10.803 32.835) 39.306 8.026 ( 6.200 3.580 12.692) 14.572 8.850 ( 13.640 7.875 -5.723) 16.758 9.664 ( 22.508 12.995 4.372) 26.355 10.642 ( 22.030 12.719 -12.746) 28.453 11.437 ( 38.588 22.279 -18.111) 48.097 12.982 ( 4.333 2.502 0.644) 5.045 13.634 ( -9.796 -5.656 -8.687) 14.262 15.846 ( -22.279 -12.863 -1.785) 25.788 16.570 ( 26.529 15.316 -10.516) 32.388 21.000 ( -7.639 -4.410 26.332) 27.770 21.765 ( 1.142 0.659 -0.143) 1.327 21.894 ( -1.463 -0.845 -0.238) 1.706 22.605 ( 6.282 3.627 1.872) 7.491 24.531 ( -19.406 -11.204 -1.236) 22.442 25.292 ( -11.005 -6.354 -4.705) 13.550 ======================= Grid point 624 (214/489) ======================= q-point: ( 0.35 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.001 ( 28.922 16.698 21.760) 39.860 5.032 ( 44.910 25.929 0.650) 51.861 5.688 ( 11.611 6.704 -21.241) 25.119 6.793 ( 1.642 0.948 17.816) 17.916 6.881 ( 18.211 10.514 -24.057) 31.952 8.195 ( 5.972 3.448 8.733) 11.127 8.676 ( 51.320 29.630 30.975) 66.866 9.205 ( 16.935 9.778 -3.659) 19.895 10.108 ( 13.932 8.044 13.351) 20.906 11.245 ( 28.737 16.591 -16.008) 36.841 12.264 ( 32.983 19.043 -33.270) 50.570 13.091 ( 4.812 2.778 0.861) 5.623 13.520 ( 4.103 2.369 9.211) 10.358 15.401 ( -12.934 -7.467 -9.468) 17.683 17.113 ( 20.797 12.007 -2.614) 24.157 20.923 ( -4.045 -2.335 22.307) 22.791 21.787 ( 0.409 0.236 0.016) 0.473 21.865 ( -0.588 -0.339 -0.200) 0.707 22.697 ( 1.623 0.937 0.118) 1.878 24.050 ( -20.984 -12.115 -1.355) 24.268 24.977 ( -14.876 -8.589 -3.614) 17.553 ======================= Grid point 625 (215/489) ======================= q-point: ( 0.41 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.662 ( 23.129 13.353 17.147) 31.738 5.892 ( 9.809 5.663 -15.969) 19.578 6.021 ( 39.034 22.536 -6.750) 45.575 6.762 ( -2.742 -1.583 8.021) 8.624 7.190 ( 10.828 6.252 -8.306) 15.011 8.339 ( 4.837 2.793 3.862) 6.790 9.600 ( 16.693 9.637 -1.701) 19.350 9.810 ( 31.883 18.407 23.286) 43.561 10.525 ( 24.319 14.041 15.884) 32.262 11.559 ( -1.356 -0.783 -20.074) 20.135 12.983 ( 39.301 22.690 -26.871) 52.740 13.209 ( 4.904 2.831 0.985) 5.747 13.807 ( 10.183 5.879 16.786) 20.495 15.311 ( 10.524 6.076 -15.166) 19.434 17.533 ( 15.010 8.666 3.338) 17.651 20.909 ( -0.998 -0.576 15.799) 15.841 21.773 ( -1.354 -0.782 -0.258) 1.584 21.877 ( 1.320 0.762 0.249) 1.544 22.697 ( -1.073 -0.619 -1.608) 2.030 23.551 ( -21.227 -12.255 0.232) 24.512 24.583 ( -17.870 -10.317 -2.678) 20.807 ======================= Grid point 626 (216/489) ======================= q-point: ( 0.47 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.152 ( 15.643 9.032 8.215) 19.843 6.089 ( 9.361 5.405 -5.590) 12.169 6.566 ( 0.657 0.379 3.790) 3.865 6.980 ( 27.859 16.085 -10.082) 33.712 7.399 ( 8.938 5.160 -0.714) 10.345 8.432 ( 2.649 1.529 -0.084) 3.059 9.960 ( 13.754 7.941 -0.561) 15.892 10.232 ( 6.786 3.918 17.091) 18.801 11.103 ( -1.948 -1.125 -23.891) 23.996 11.511 ( 21.718 12.539 21.434) 32.990 13.322 ( 4.376 2.526 0.966) 5.144 13.625 ( 3.399 1.963 4.614) 6.058 14.192 ( 35.131 20.283 -10.993) 42.029 15.763 ( 25.777 14.882 -13.007) 32.483 17.838 ( 9.903 5.718 7.751) 13.815 20.954 ( 2.640 1.524 8.609) 9.133 21.737 ( -1.427 -0.824 -0.262) 1.668 21.913 ( 1.481 0.855 0.332) 1.742 22.657 ( -1.558 -0.899 -4.850) 5.173 23.065 ( -20.065 -11.584 4.276) 23.560 24.137 ( -19.367 -11.181 -1.857) 22.440 ======================= Grid point 627 (217/489) ======================= q-point: ( 0.53 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.427 ( 7.443 4.297 -3.874) 9.428 6.306 ( 8.549 4.936 7.766) 12.560 6.493 ( -5.219 -3.013 7.472) 9.599 7.459 ( 11.822 6.826 -23.017) 26.761 7.743 ( 20.842 12.033 8.552) 25.541 8.466 ( 0.719 0.415 -2.594) 2.723 10.229 ( 8.981 5.185 -0.093) 10.371 10.362 ( 1.530 0.883 13.194) 13.312 10.737 ( -14.212 -8.205 -22.294) 27.682 12.203 ( 23.253 13.425 22.515) 35.040 13.412 ( 2.999 1.731 0.782) 3.550 13.510 ( -8.701 -5.023 9.806) 14.039 15.065 ( 35.698 20.610 -17.562) 44.806 16.286 ( 19.104 11.030 -6.690) 23.051 18.030 ( 4.344 2.508 9.698) 10.919 21.086 ( 7.584 4.379 2.682) 9.159 21.709 ( -0.918 -0.530 -0.065) 1.062 21.943 ( 0.984 0.568 0.120) 1.142 22.490 ( -14.992 -8.655 -8.829) 19.432 22.767 ( -2.306 -1.331 8.594) 8.997 23.686 ( -18.118 -10.461 -0.963) 20.943 ======================= Grid point 628 (218/489) ======================= q-point: ( 0.59 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.496 ( 0.343 0.198 -11.915) 11.922 6.386 ( -4.821 -2.783 4.022) 6.867 6.501 ( 5.108 2.949 16.648) 17.662 7.598 ( 4.797 2.770 -11.858) 13.088 8.176 ( 12.248 7.071 1.308) 14.203 8.463 ( -0.139 -0.080 -4.075) 4.078 10.239 ( -10.117 -5.841 -17.337) 20.905 10.373 ( 3.183 1.838 0.078) 3.676 10.601 ( 4.151 2.396 10.754) 11.774 12.615 ( 6.772 3.910 18.950) 20.500 13.348 ( -5.959 -3.441 7.869) 10.454 13.460 ( 0.880 0.508 0.464) 1.117 15.649 ( 15.686 9.056 -19.007) 26.255 16.620 ( 10.100 5.831 2.854) 12.007 18.076 ( -2.078 -1.200 8.222) 8.565 21.300 ( 8.459 4.884 -0.505) 9.780 21.696 ( -0.200 -0.115 0.231) 0.327 21.957 ( 0.229 0.132 -0.218) 0.343 22.098 ( -13.226 -7.636 -5.069) 16.091 22.840 ( 4.435 2.561 3.388) 6.140 23.328 ( -10.393 -6.000 0.277) 12.004 ======================= Grid point 629 (219/489) ======================= q-point: (-0.35 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.396 ( -6.059 -3.498 -14.874) 16.437 6.292 ( -3.338 -1.927 -1.823) 4.264 6.611 ( 0.435 0.251 20.363) 20.369 7.627 ( -0.948 -0.547 -9.168) 9.233 8.269 ( -4.693 -2.709 6.276) 8.292 8.443 ( -0.781 -0.451 -5.476) 5.550 10.022 ( -3.868 -2.233 -18.879) 19.400 10.377 ( -2.842 -1.641 0.310) 3.296 10.829 ( 12.311 7.108 12.340) 18.825 12.562 ( -14.869 -8.585 15.493) 23.126 13.316 ( 2.098 1.211 6.299) 6.748 13.453 ( -1.494 -0.863 0.078) 1.727 15.670 ( -10.062 -5.809 -15.796) 19.608 16.761 ( -0.500 -0.289 8.579) 8.599 17.997 ( -5.228 -3.019 4.535) 7.550 21.294 ( -9.892 -5.711 -0.609) 11.438 21.701 ( 0.544 0.314 0.535) 0.825 21.953 ( -0.547 -0.316 -0.507) 0.810 22.045 ( 10.937 6.315 -8.144) 15.027 22.853 ( -3.856 -2.226 3.909) 5.925 23.339 ( 11.133 6.428 0.877) 12.886 ======================= Grid point 630 (220/489) ======================= q-point: (-0.29 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.145 ( -12.234 -7.063 -14.639) 20.343 6.222 ( -1.661 -0.959 -9.129) 9.328 6.623 ( -3.389 -1.957 21.296) 21.653 7.436 ( -15.199 -8.775 -11.605) 21.040 8.105 ( -8.201 -4.735 18.135) 20.459 8.390 ( -2.711 -1.565 -7.688) 8.300 9.931 ( -1.743 -1.007 -15.440) 15.571 10.245 ( -8.328 -4.808 0.842) 9.653 11.217 ( 17.837 10.298 7.310) 21.855 12.037 ( -31.379 -18.117 11.758) 38.093 13.393 ( -3.495 -2.018 -0.297) 4.047 13.437 ( 6.003 3.466 6.628) 9.590 15.155 ( -29.720 -17.159 -9.555) 35.623 16.583 ( -16.518 -9.536 7.105) 20.353 17.877 ( -5.602 -3.234 2.831) 7.061 21.007 ( -11.886 -6.862 -1.619) 13.820 21.723 ( 1.160 0.670 0.764) 1.542 21.931 ( -1.142 -0.659 -0.608) 1.452 22.376 ( 15.422 8.904 -11.980) 21.462 22.826 ( 2.708 1.563 8.232) 8.806 23.713 ( 18.697 10.794 0.535) 21.595 ======================= Grid point 631 (221/489) ======================= q-point: (-0.24 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.756 ( -18.137 -10.472 -12.310) 24.293 6.158 ( -1.885 -1.088 -18.468) 18.596 6.559 ( -6.133 -3.541 20.462) 21.653 6.870 ( -28.781 -16.617 -6.647) 33.891 8.025 ( -3.769 -2.176 25.388) 25.759 8.269 ( -5.848 -3.376 -10.599) 12.567 9.810 ( -7.051 -4.071 -12.708) 15.093 9.999 ( -12.630 -7.292 1.655) 14.678 11.134 ( -41.306 -23.848 4.767) 47.933 11.707 ( 16.604 9.587 6.068) 20.110 13.294 ( -4.673 -2.698 -0.597) 5.428 13.580 ( 2.980 1.721 7.743) 8.473 14.311 ( -38.450 -22.199 -5.629) 44.753 16.062 ( -26.511 -15.306 2.578) 30.720 17.736 ( -7.402 -4.273 3.271) 9.151 20.767 ( -8.042 -4.643 -1.803) 9.459 21.756 ( 1.495 0.863 0.879) 1.937 21.899 ( -1.390 -0.803 -0.498) 1.681 22.600 ( 6.141 3.545 -7.830) 10.563 23.088 ( 17.018 9.826 5.071) 20.295 24.174 ( 19.914 11.497 0.272) 22.996 ======================= Grid point 632 (222/489) ======================= q-point: (-0.18 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.238 ( -23.801 -13.742 -8.558) 28.785 5.831 ( -29.375 -16.960 -21.731) 40.284 6.315 ( -9.465 -5.464 -4.730) 11.908 6.428 ( -9.091 -5.248 17.476) 20.386 8.005 ( -4.454 -2.572 31.489) 31.906 8.073 ( -8.064 -4.656 -12.562) 15.636 9.384 ( -34.278 -19.790 -5.832) 40.008 9.673 ( -15.277 -8.820 2.367) 17.799 10.195 ( -30.592 -17.662 -3.590) 35.507 11.984 ( -0.226 -0.130 2.696) 2.708 13.178 ( -4.980 -2.875 -0.789) 5.804 13.415 ( -22.641 -13.072 -10.848) 28.304 13.552 ( -18.514 -10.689 14.349) 25.748 15.533 ( -13.844 -7.993 -1.668) 16.072 17.525 ( -11.434 -6.601 2.708) 13.477 20.622 ( -4.079 -2.355 0.251) 4.716 21.792 ( 1.137 0.657 0.910) 1.597 21.869 ( -0.913 -0.527 -0.291) 1.094 22.685 ( 2.404 1.388 -2.490) 3.729 23.554 ( 21.015 12.133 0.501) 24.272 24.629 ( 18.437 10.644 -0.070) 21.289 ======================= Grid point 633 (223/489) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.600 ( -29.238 -16.881 -3.721) 33.966 4.885 ( -44.131 -25.479 -9.899) 51.910 6.181 ( -5.247 -3.029 -13.445) 14.747 6.200 ( -13.473 -7.779 11.153) 19.142 7.859 ( -7.099 -4.098 -11.027) 13.740 7.922 ( -12.208 -7.048 36.838) 39.443 8.171 ( -59.024 -34.077 -1.142) 68.164 9.309 ( -15.799 -9.122 2.441) 18.406 9.735 ( -12.497 -7.215 -12.499) 19.091 11.554 ( -30.973 -17.882 3.481) 35.933 12.700 ( -40.674 -23.483 -7.094) 47.499 13.061 ( -4.697 -2.712 -0.867) 5.492 13.432 ( 8.994 5.192 4.466) 11.304 15.490 ( 8.546 4.934 -2.413) 10.159 17.205 ( -16.118 -9.306 -0.074) 18.612 20.583 ( 0.404 0.233 5.160) 5.181 21.799 ( -0.709 -0.410 0.731) 1.098 21.869 ( 1.021 0.590 0.024) 1.180 22.694 ( -1.693 -0.977 -0.179) 1.963 24.052 ( 21.137 12.204 -1.285) 24.441 25.029 ( 15.467 8.930 -0.688) 17.873 ======================= Grid point 638 (224/489) ======================= q-point: ( 0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 0.000 31.552 41.876) 52.433 1.723 ( 0.000 45.118 40.737) 60.788 2.965 ( 0.000 73.396 75.657) 105.409 4.970 ( -0.000 12.927 -19.520) 23.413 5.105 ( -0.000 24.617 -26.933) 36.488 7.623 ( 0.000 1.083 8.223) 8.294 7.738 ( 0.000 5.023 15.143) 15.955 8.532 ( -0.000 4.626 -3.131) 5.586 8.642 ( -0.000 15.222 -6.068) 16.387 9.742 ( -0.000 8.141 -37.217) 38.097 10.780 ( 0.000 -10.084 26.894) 28.722 12.808 ( -0.000 1.798 -0.449) 1.854 13.742 ( -0.000 29.031 -53.004) 60.434 15.108 ( 0.000 33.222 2.010) 33.283 17.211 ( 0.000 -40.801 14.525) 43.309 21.515 ( 0.000 -19.179 17.381) 25.883 21.738 ( -0.000 0.752 -0.223) 0.785 21.951 ( 0.000 -0.658 0.181) 0.683 22.088 ( 0.000 15.546 5.772) 16.583 25.243 ( 0.000 -11.190 2.488) 11.463 25.636 ( -0.000 -4.964 -4.643) 6.797 ======================= Grid point 639 (225/489) ======================= q-point: ( 0.24 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 25.206 31.948 32.465) 52.058 2.511 ( 25.148 43.729 27.152) 57.287 4.261 ( 37.101 71.372 57.782) 99.041 5.094 ( 3.654 17.186 -22.553) 28.590 5.562 ( 25.045 24.845 -29.856) 46.216 7.633 ( -3.078 -0.565 13.644) 13.999 7.858 ( 2.977 8.381 16.931) 19.124 8.610 ( 1.646 9.649 -6.007) 11.484 8.897 ( 13.813 14.371 -6.611) 21.001 9.965 ( 13.660 27.761 -32.533) 44.896 10.779 ( 1.618 2.774 15.085) 15.423 12.861 ( 2.813 2.886 -0.114) 4.032 13.829 ( 0.714 0.308 -29.467) 29.477 15.640 ( 19.420 30.784 -9.473) 37.610 16.667 ( -18.639 -28.707 6.223) 34.788 21.306 ( -7.452 -13.814 24.254) 28.890 21.746 ( 0.029 1.329 -0.228) 1.349 21.938 ( -0.662 -0.765 0.066) 1.014 22.328 ( 6.801 12.702 4.598) 15.124 25.037 ( -7.992 -15.557 1.281) 17.536 25.540 ( -3.392 -5.696 -6.070) 8.989 ======================= Grid point 640 (226/489) ======================= q-point: ( 0.29 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.025 ( 27.264 31.924 27.101) 49.970 3.532 ( 36.226 38.128 13.827) 54.381 5.312 ( 7.401 16.113 -23.855) 29.723 5.744 ( 40.537 47.406 36.256) 72.146 6.245 ( 30.533 25.858 -28.286) 49.000 7.650 ( 2.508 4.897 24.284) 24.900 8.060 ( 2.681 11.002 15.948) 19.559 8.781 ( 6.603 14.618 -7.617) 17.757 9.382 ( 24.451 14.748 -3.246) 28.738 10.465 ( 14.623 23.391 -15.343) 31.565 11.092 ( 21.943 22.591 -10.169) 33.095 12.956 ( 3.493 4.621 0.229) 5.797 13.680 ( -5.839 -7.158 -13.133) 16.056 16.040 ( -15.742 -19.810 2.011) 25.383 16.310 ( 18.494 22.754 -13.397) 32.238 21.125 ( -6.641 -8.854 26.412) 28.637 21.767 ( 0.451 2.007 -0.043) 2.058 21.914 ( -1.267 -0.476 -0.112) 1.358 22.552 ( 5.645 6.840 3.051) 9.378 24.675 ( -13.505 -17.256 -0.910) 21.931 25.363 ( -7.129 -8.341 -5.379) 12.220 ======================= Grid point 641 (227/489) ======================= q-point: ( 0.35 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.862 ( 23.608 31.713 23.762) 46.127 4.585 ( 39.180 32.664 3.785) 51.150 5.536 ( 8.202 11.065 -22.684) 26.538 6.562 ( 23.135 11.157 -22.810) 34.351 6.884 ( 5.575 20.484 16.689) 27.004 8.211 ( 11.502 13.267 20.283) 26.827 8.262 ( 29.111 27.168 25.220) 47.134 9.106 ( 11.428 19.421 -5.153) 23.115 9.946 ( 20.114 12.077 7.670) 24.683 10.944 ( 21.057 22.074 -12.707) 33.048 11.827 ( 31.572 25.464 -30.587) 50.802 13.073 ( 3.274 6.192 0.433) 7.018 13.518 ( -1.353 -2.102 2.290) 3.390 15.541 ( -16.095 -13.781 -7.893) 22.611 16.873 ( 20.759 16.923 -4.469) 27.153 21.013 ( -4.502 -5.861 24.111) 25.219 21.798 ( 0.213 2.510 0.225) 2.529 21.887 ( -1.473 0.321 -0.196) 1.520 22.672 ( 2.487 1.806 1.065) 3.253 24.227 ( -16.467 -17.494 -1.772) 24.091 25.093 ( -10.940 -11.259 -4.178) 16.246 ======================= Grid point 642 (228/489) ======================= q-point: ( 0.41 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.598 ( 17.443 31.046 20.175) 40.929 5.554 ( 34.621 22.051 -6.092) 41.497 5.734 ( 11.882 9.859 -16.487) 22.588 6.847 ( 4.719 10.924 -29.258) 31.586 7.093 ( 3.422 6.791 25.300) 26.418 8.349 ( 1.338 7.678 6.906) 10.414 9.417 ( 29.683 24.755 17.832) 42.567 9.564 ( 24.571 29.917 8.739) 39.688 10.355 ( 13.786 10.289 13.373) 21.789 11.448 ( 11.774 8.324 -17.736) 22.858 12.496 ( 32.617 22.153 -34.438) 52.351 13.198 ( 3.051 7.317 1.167) 8.012 13.712 ( 12.973 9.179 16.583) 22.969 15.234 ( -2.977 -2.496 -14.461) 14.973 17.343 ( 17.187 10.335 1.421) 20.106 20.954 ( -2.236 -4.081 18.452) 19.029 21.809 ( -1.866 1.840 0.023) 2.621 21.884 ( -0.028 2.210 0.231) 2.222 22.691 ( -0.075 -1.547 -0.948) 1.816 23.746 ( -17.656 -16.829 -0.752) 24.403 24.735 ( -14.123 -13.694 -3.094) 19.914 ======================= Grid point 643 (229/489) ======================= q-point: ( 0.47 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.183 ( 8.524 30.125 12.072) 33.555 5.846 ( 11.795 -3.899 -6.996) 14.258 6.429 ( 28.340 21.188 -10.639) 36.950 6.920 ( -1.711 14.873 -11.710) 19.007 7.302 ( 7.963 5.713 11.800) 15.339 8.455 ( 0.527 7.303 2.223) 7.652 9.844 ( 9.810 13.616 1.592) 16.857 10.312 ( 7.445 23.001 15.284) 28.602 10.897 ( 26.296 13.037 3.522) 29.561 11.420 ( -1.144 -2.507 -4.385) 5.179 13.330 ( 2.196 8.447 1.546) 8.863 13.362 ( 37.482 23.920 -19.607) 48.595 13.970 ( 5.605 4.263 11.941) 13.862 15.429 ( 22.143 11.743 -15.685) 29.567 17.697 ( 13.350 4.733 6.086) 15.416 20.939 ( 0.732 -2.829 11.245) 11.619 21.782 ( -2.877 1.815 -0.136) 3.405 21.917 ( 0.344 2.700 0.489) 2.766 22.651 ( -0.953 -2.708 -3.430) 4.473 23.269 ( -17.627 -15.372 2.214) 23.493 24.311 ( -16.233 -15.155 -2.189) 22.315 ======================= Grid point 644 (230/489) ======================= q-point: ( 0.53 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.537 ( -2.021 25.859 -5.246) 26.463 6.008 ( 13.706 -9.427 12.165) 20.608 6.774 ( -4.952 15.484 2.182) 16.402 7.218 ( 18.005 13.513 -27.500) 35.539 7.588 ( 13.452 11.205 14.707) 22.865 8.519 ( -2.006 7.445 -1.650) 7.885 10.087 ( 6.431 4.176 3.821) 8.567 10.573 ( -2.641 20.907 9.741) 23.216 10.861 ( -13.463 -4.831 -25.861) 29.553 11.923 ( 29.097 12.293 27.303) 41.752 13.441 ( 0.242 6.702 3.057) 7.371 13.663 ( -7.364 1.731 8.002) 11.012 14.563 ( 39.417 21.768 -18.029) 48.504 15.973 ( 25.546 10.024 -9.327) 28.984 17.939 ( 9.356 -0.110 8.990) 12.976 20.987 ( 5.540 -1.459 4.736) 7.433 21.748 ( -2.919 1.542 -0.051) 3.302 21.945 ( 0.104 1.731 0.172) 1.743 22.574 ( -4.852 -4.282 -9.313) 11.341 22.864 ( -11.695 -9.846 8.819) 17.649 23.860 ( -16.513 -14.992 -1.324) 22.342 ======================= Grid point 645 (231/489) ======================= q-point: ( 0.59 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.636 ( -7.059 16.106 -15.043) 23.141 6.158 ( 8.020 -8.208 19.625) 22.734 6.820 ( -8.474 17.443 5.986) 20.295 7.486 ( 8.918 5.716 -17.255) 20.247 8.030 ( 15.966 12.825 4.403) 20.947 8.526 ( -4.337 6.383 -4.634) 9.001 10.142 ( -0.273 -6.600 -4.272) 7.867 10.574 ( -7.722 2.337 -9.598) 12.538 10.732 ( -7.418 22.928 5.540) 24.726 12.486 ( 17.189 3.537 23.522) 29.347 13.425 ( -5.215 -4.458 8.944) 11.272 13.600 ( -7.252 13.058 1.750) 15.039 15.324 ( 27.967 13.342 -20.930) 37.393 16.416 ( 18.263 3.267 -0.609) 18.563 18.052 ( 3.591 -5.016 9.287) 11.149 21.136 ( 11.245 -0.191 0.576) 11.261 21.702 ( -2.548 -2.223 0.049) 3.382 21.957 ( -0.014 1.021 -0.859) 1.334 22.285 ( -14.942 -5.873 -5.905) 17.106 22.796 ( 3.394 0.734 5.429) 6.444 23.447 ( -13.212 -12.374 -0.205) 18.103 ======================= Grid point 646 (232/489) ======================= q-point: (-0.35 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.572 ( -10.492 9.470 -15.628) 21.071 6.205 ( 0.786 -4.621 13.088) 13.902 6.859 ( -8.113 14.378 9.858) 19.228 7.602 ( 2.557 3.413 -10.276) 11.125 8.319 ( 2.082 5.749 3.197) 6.900 8.480 ( -3.456 3.093 -7.289) 8.639 9.987 ( -4.143 -4.214 -14.804) 15.940 10.575 ( -3.367 11.471 1.520) 12.051 10.833 ( -3.638 15.997 6.743) 17.737 12.666 ( -1.570 -8.123 20.930) 22.506 13.326 ( -1.851 -1.934 7.878) 8.321 13.608 ( -8.458 13.226 0.349) 15.703 15.634 ( 4.817 -1.267 -20.473) 21.070 16.685 ( 9.877 -1.796 6.658) 12.046 18.013 ( -1.532 -8.612 7.204) 11.332 21.293 ( 3.383 -5.709 -0.230) 6.640 21.626 ( 3.178 -6.127 -0.828) 6.952 21.978 ( 0.381 3.596 -2.061) 4.163 22.047 ( -7.052 3.665 -4.377) 9.073 22.886 ( 0.359 -0.043 3.133) 3.153 23.231 ( 2.548 -3.309 1.034) 4.302 ======================= Grid point 647 (233/489) ======================= q-point: (-0.29 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.390 ( -15.636 6.705 -14.306) 22.229 6.173 ( -2.271 -2.239 4.199) 5.273 6.860 ( -9.134 10.203 12.590) 18.602 7.561 ( -7.919 -0.840 -10.529) 13.201 8.226 ( -8.594 -4.879 7.578) 12.453 8.458 ( -4.180 3.461 -5.062) 7.422 9.901 ( -1.400 2.017 -13.547) 13.768 10.559 ( -15.753 16.270 -1.112) 22.674 11.047 ( 12.137 9.101 6.862) 16.650 12.358 ( -21.749 -18.297 17.219) 33.231 13.374 ( 4.202 0.632 8.190) 9.227 13.569 ( -9.817 11.622 -0.213) 15.215 15.386 ( -17.812 -14.602 -14.664) 27.304 16.701 ( -5.223 -8.889 6.441) 12.157 17.896 ( -2.401 -8.942 5.176) 10.607 21.098 ( -8.996 -11.631 -0.555) 14.715 21.709 ( 4.153 1.224 0.169) 4.333 21.957 ( -2.340 0.847 -0.613) 2.562 22.180 ( 11.964 9.278 -9.511) 17.879 22.829 ( -1.617 -2.221 5.705) 6.332 23.470 ( 18.094 5.619 0.614) 18.956 ======================= Grid point 648 (234/489) ======================= q-point: (-0.24 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.088 ( -22.302 5.590 -11.756) 25.823 6.110 ( -2.606 -1.633 -4.827) 5.724 6.803 ( -10.888 7.448 13.020) 18.535 7.194 ( -24.625 -9.009 -10.211) 28.139 8.102 ( -2.775 -3.445 15.137) 15.770 8.350 ( -8.245 -0.491 -4.859) 9.582 9.861 ( -4.701 3.652 -10.425) 12.005 10.363 ( -22.316 12.944 -1.713) 25.855 11.398 ( 8.902 1.742 1.375) 9.175 11.690 ( -26.526 -17.897 14.216) 35.015 13.413 ( -5.505 1.772 3.549) 6.785 13.575 ( 0.543 7.348 5.485) 9.185 14.703 ( -33.051 -22.111 -9.483) 40.880 16.342 ( -21.275 -15.375 1.959) 26.322 17.777 ( -3.055 -8.179 4.969) 10.046 20.844 ( -7.726 -7.714 -0.497) 10.929 21.768 ( 0.384 3.348 0.733) 3.449 21.928 ( -1.898 0.622 -0.504) 2.060 22.466 ( 11.453 5.407 -11.000) 16.775 22.913 ( 10.840 2.648 7.745) 13.583 23.898 ( 21.925 7.099 0.106) 23.046 ======================= Grid point 649 (235/489) ======================= q-point: (-0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.661 ( -29.262 4.334 -7.759) 30.582 5.991 ( -8.739 -3.489 -16.093) 18.642 6.542 ( -28.154 -11.364 -1.809) 30.415 6.707 ( -13.846 5.790 11.025) 18.622 8.095 ( -0.440 -1.762 9.791) 9.958 8.144 ( -10.301 -5.561 4.252) 12.454 9.696 ( -17.177 -0.440 -7.213) 18.636 10.044 ( -25.439 8.090 -0.948) 26.711 10.650 ( -42.449 -24.638 7.192) 49.605 11.870 ( 14.422 4.594 -0.884) 15.162 13.299 ( -9.037 1.804 1.225) 9.296 13.614 ( -7.799 -3.174 5.875) 10.267 13.841 ( -31.764 -19.329 -3.929) 37.390 15.758 ( -23.337 -13.104 -2.719) 26.902 17.622 ( -6.838 -8.233 4.091) 11.458 20.674 ( -4.976 -3.940 1.576) 6.540 21.805 ( -0.108 3.300 0.821) 3.402 21.898 ( -2.169 0.800 -0.327) 2.335 22.621 ( 5.550 1.552 -5.012) 7.638 23.276 ( 21.163 6.594 2.585) 22.317 24.359 ( 21.940 6.707 -0.321) 22.945 ======================= Grid point 650 (236/489) ======================= q-point: (-0.12 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.110 ( -35.716 2.389 -2.559) 35.887 5.418 ( -40.216 -12.887 -14.178) 44.546 6.164 ( -6.567 -4.960 -3.288) 8.862 6.532 ( -16.311 6.240 5.055) 18.181 7.865 ( -8.938 -11.153 -5.891) 15.459 8.113 ( -3.505 -1.040 25.608) 25.868 8.940 ( -56.463 -21.480 3.928) 60.538 9.650 ( -25.293 3.840 1.356) 25.619 9.932 ( -19.923 -5.047 -7.149) 21.760 11.864 ( -17.413 -10.830 -0.954) 20.528 13.041 ( -21.408 -12.759 -13.543) 28.364 13.202 ( -11.516 1.760 -5.731) 12.984 13.442 ( -11.156 -7.657 17.658) 22.246 15.437 ( -1.757 -0.326 -4.573) 4.910 17.373 ( -12.675 -8.660 1.102) 15.391 20.600 ( -1.349 -1.139 6.424) 6.662 21.828 ( -1.271 2.099 0.875) 2.605 21.875 ( -0.819 1.121 -0.253) 1.412 22.687 ( 1.790 -0.169 -1.321) 2.231 23.750 ( 23.659 7.096 -0.542) 24.706 24.790 ( 19.686 5.529 -0.917) 20.468 ======================= Grid point 656 (237/489) ======================= q-point: ( 0.24 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 0.000 35.259 29.951) 46.263 2.847 ( 0.000 48.108 27.377) 55.353 4.886 ( 0.000 78.350 54.415) 95.392 5.239 ( -0.000 22.194 -20.814) 30.427 5.519 ( -0.000 29.973 -32.359) 44.107 7.687 ( 0.000 1.004 8.525) 8.584 7.989 ( 0.000 13.220 23.425) 26.898 8.675 ( -0.000 11.123 -3.069) 11.538 8.906 ( -0.000 13.573 -16.151) 21.097 10.132 ( -0.000 41.338 -28.051) 49.957 10.841 ( 0.000 7.411 10.399) 12.770 12.862 ( -0.000 3.558 -0.310) 3.571 13.759 ( -0.000 -2.077 -23.344) 23.436 15.787 ( -0.000 30.626 -4.621) 30.973 16.528 ( -0.000 -28.233 -1.295) 28.262 21.278 ( 0.000 -14.037 24.294) 28.057 21.757 ( -0.000 1.227 -0.029) 1.228 21.932 ( 0.000 -1.292 0.074) 1.294 22.423 ( 0.000 13.262 4.734) 14.081 24.928 ( 0.000 -19.668 0.540) 19.675 25.488 ( -0.000 -7.509 -6.101) 9.675 ======================= Grid point 657 (238/489) ======================= q-point: ( 0.29 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.966 ( 22.338 33.199 24.917) 47.138 3.535 ( 16.363 44.913 18.688) 51.324 5.394 ( -0.503 21.282 -22.855) 31.234 5.712 ( 18.457 26.455 -4.183) 32.527 6.191 ( 19.641 69.195 18.814) 74.349 7.717 ( 0.548 2.628 13.101) 13.373 8.219 ( 0.676 16.661 23.674) 28.957 8.830 ( 3.488 15.262 -8.313) 17.726 9.142 ( 16.439 14.857 -11.257) 24.854 10.559 ( 5.070 35.410 -14.157) 38.471 11.059 ( 8.329 26.472 -9.446) 29.315 12.938 ( 3.708 4.698 -0.022) 5.985 13.649 ( -2.534 -6.622 -12.460) 14.336 15.985 ( -2.131 -17.462 2.536) 17.773 16.345 ( 2.682 21.105 -13.360) 25.121 21.173 ( -3.400 -10.816 25.504) 27.911 21.778 ( 0.673 1.810 0.113) 1.935 21.918 ( -0.098 -1.215 -0.063) 1.221 22.571 ( 2.147 8.458 3.680) 9.471 24.653 ( -6.803 -21.423 -1.085) 22.504 25.354 ( -3.803 -10.022 -5.477) 12.038 ======================= Grid point 658 (239/489) ======================= q-point: ( 0.35 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.810 ( 27.286 32.290 21.991) 47.653 4.374 ( 26.210 38.289 7.798) 47.052 5.543 ( 1.490 16.608 -22.706) 28.171 6.236 ( 21.772 15.055 -21.846) 34.321 7.123 ( 3.921 37.682 18.728) 42.261 8.063 ( 24.880 29.607 29.882) 48.872 8.400 ( -2.203 13.216 17.481) 22.025 9.118 ( 10.111 21.643 -7.206) 24.952 9.684 ( 25.317 15.923 0.219) 29.909 10.931 ( 6.963 27.082 -7.679) 28.998 11.603 ( 18.696 34.027 -30.469) 49.353 13.075 ( 4.747 6.867 0.217) 8.351 13.525 ( -1.900 -2.282 0.386) 2.994 15.601 ( -11.120 -19.849 -7.209) 23.867 16.760 ( 13.012 23.782 -5.160) 27.596 21.072 ( -3.739 -7.997 24.049) 25.618 21.818 ( 1.033 2.836 0.402) 3.045 21.905 ( -0.326 -0.395 -0.185) 0.544 22.665 ( 1.104 2.647 1.776) 3.374 24.268 ( -11.298 -21.401 -1.944) 24.278 25.122 ( -7.770 -13.106 -4.394) 15.857 ======================= Grid point 659 (240/489) ======================= q-point: ( 0.41 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.638 ( 23.045 31.622 21.723) 44.754 5.228 ( 29.404 28.316 -3.702) 40.989 5.688 ( 3.256 15.766 -18.513) 24.534 6.668 ( 16.744 13.094 -26.020) 33.599 7.316 ( -6.348 13.279 18.308) 23.491 8.465 ( -1.676 8.247 12.365) 14.957 9.203 ( 37.331 44.501 32.490) 66.555 9.544 ( 12.663 23.705 -3.747) 27.135 10.245 ( 17.847 14.404 8.759) 24.550 11.324 ( 9.944 17.100 -14.240) 24.373 12.161 ( 22.099 25.753 -37.271) 50.406 13.233 ( 3.623 9.146 1.428) 9.941 13.648 ( 9.253 11.314 13.705) 20.036 15.249 ( -7.465 -9.007 -13.493) 17.858 17.190 ( 13.524 14.782 0.254) 20.037 20.992 ( -2.974 -6.287 19.330) 20.543 21.860 ( -0.569 3.105 0.420) 3.185 21.906 ( 0.340 1.624 0.127) 1.664 22.674 ( -0.424 -2.017 -0.303) 2.083 23.829 ( -13.633 -20.231 -1.236) 24.427 24.796 ( -11.167 -16.007 -3.321) 19.798 ======================= Grid point 660 (241/489) ======================= q-point: ( 0.47 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.344 ( 16.942 26.276 23.244) 38.958 5.692 ( 4.336 11.020 -16.776) 20.535 6.142 ( 25.960 26.724 -11.184) 38.899 6.960 ( 8.499 12.868 -26.426) 30.597 7.395 ( -2.973 11.412 23.170) 25.999 8.553 ( -0.562 8.516 7.746) 11.526 9.894 ( 6.195 20.840 1.402) 21.787 10.362 ( 30.864 34.420 19.636) 50.228 10.663 ( 11.982 16.191 8.339) 21.801 11.400 ( -1.789 -2.965 -13.494) 13.931 12.903 ( 36.548 31.267 -27.402) 55.356 13.396 ( 2.456 10.626 3.479) 11.447 13.975 ( 6.274 7.573 17.625) 20.183 15.196 ( 9.976 6.864 -18.781) 22.346 17.529 ( 12.133 6.204 4.571) 14.373 20.931 ( -1.399 -5.358 12.639) 13.799 21.860 ( -2.579 3.037 0.066) 3.985 21.945 ( 0.419 2.945 0.713) 3.059 22.623 ( -0.798 -4.236 -2.398) 4.933 23.383 ( -14.382 -18.122 1.046) 23.159 24.396 ( -13.498 -18.034 -2.409) 22.654 ======================= Grid point 661 (242/489) ======================= q-point: ( 0.53 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.733 ( 6.783 -4.905 2.097) 8.629 5.921 ( 1.838 35.343 6.806) 36.040 6.792 ( 20.938 20.051 -12.308) 31.495 7.120 ( 2.648 12.787 -22.432) 25.956 7.587 ( 4.969 13.495 20.584) 25.110 8.645 ( -1.351 9.681 2.475) 10.084 10.117 ( 0.652 10.265 2.224) 10.523 10.844 ( -4.387 14.189 -7.907) 16.825 10.994 ( -0.316 17.348 -8.753) 19.434 11.603 ( 25.969 10.684 28.318) 39.881 13.520 ( -0.526 5.821 6.680) 8.875 13.726 ( 19.006 18.974 -9.628) 28.529 14.179 ( 16.108 16.067 -1.807) 22.823 15.594 ( 24.324 10.165 -13.580) 29.654 17.767 ( 10.493 -1.339 7.549) 12.996 20.902 ( 1.815 -4.671 6.226) 7.992 21.832 ( -4.022 2.312 0.025) 4.639 21.968 ( -0.447 1.477 0.368) 1.586 22.562 ( -0.800 -3.381 -5.698) 6.673 22.979 ( -12.687 -13.962 5.267) 19.587 23.957 ( -14.330 -18.405 -1.572) 23.379 ======================= Grid point 662 (243/489) ======================= q-point: ( 0.59 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.744 ( 0.900 -3.867 -2.691) 4.796 6.264 ( -2.775 27.371 11.885) 29.969 7.098 ( -3.530 14.109 -0.724) 14.562 7.330 ( 12.990 11.911 -21.903) 28.113 7.931 ( 12.166 14.785 10.483) 21.829 8.691 ( -5.038 9.368 -3.497) 11.197 10.142 ( -3.375 0.490 -1.732) 3.825 10.718 ( -8.959 5.145 -9.899) 14.308 11.194 ( -8.634 32.715 0.028) 33.835 12.223 ( 22.928 4.311 27.469) 36.039 13.493 ( -5.004 -4.042 10.542) 12.350 13.918 ( -6.619 20.427 0.648) 21.483 14.885 ( 32.602 18.378 -19.319) 42.117 16.063 ( 22.983 1.929 -4.712) 23.540 17.901 ( 7.683 -8.058 8.549) 14.037 20.947 ( 7.524 -3.694 1.917) 8.598 21.739 ( -5.698 -5.080 -0.183) 7.636 21.975 ( -0.213 2.215 -0.963) 2.424 22.441 ( -9.024 -2.880 -6.998) 11.777 22.769 ( -0.511 -3.759 7.369) 8.289 23.531 ( -12.951 -16.465 -0.555) 20.955 ======================= Grid point 663 (244/489) ======================= q-point: ( 0.65 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.684 ( -1.988 -4.467 -2.401) 5.447 6.434 ( -9.796 23.609 8.775) 27.025 7.123 ( -5.816 9.785 -0.162) 11.384 7.580 ( 5.266 11.358 -9.511) 15.722 8.295 ( 10.521 11.123 2.384) 15.495 8.618 ( -9.662 3.943 -8.978) 13.766 10.054 ( -6.047 4.160 -8.308) 11.086 10.675 ( -2.080 7.177 3.975) 8.464 11.312 ( -15.601 32.226 -1.746) 35.846 12.567 ( 9.466 -6.691 24.773) 27.351 13.374 ( -4.602 -4.224 9.415) 11.299 13.986 ( -11.691 23.330 0.178) 26.096 15.405 ( 16.207 4.684 -22.292) 27.956 16.416 ( 18.326 -3.878 4.546) 19.275 17.903 ( 3.068 -13.622 7.498) 15.850 21.095 ( 11.508 -3.868 0.340) 12.146 21.539 ( -4.350 -12.326 -1.176) 13.124 22.010 ( 0.346 4.892 -2.154) 5.356 22.235 ( -10.407 2.077 -3.244) 11.097 22.846 ( 5.820 2.069 3.314) 7.010 23.196 ( -6.809 -12.079 0.888) 13.895 ======================= Grid point 664 (245/489) ======================= q-point: (-0.29 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.574 ( -5.090 -3.665 -3.189) 7.036 6.450 ( -15.462 20.970 3.967) 26.354 7.109 ( -5.785 6.897 3.195) 9.552 7.682 ( -4.430 9.105 -6.246) 11.897 8.385 ( -12.709 -1.795 -2.372) 13.052 8.508 ( 2.283 3.997 -4.457) 6.407 10.013 ( -5.929 13.055 -11.062) 18.109 10.800 ( 5.166 7.663 8.153) 12.324 11.292 ( -19.781 27.315 -3.347) 33.891 12.500 ( -9.580 -17.438 22.406) 29.965 13.339 ( 1.445 -0.987 8.615) 8.791 13.969 ( -15.798 21.204 -0.430) 26.446 15.421 ( -5.286 -9.904 -18.762) 21.864 16.610 ( 7.200 -8.321 6.505) 12.782 17.798 ( 1.165 -15.250 5.837) 16.371 21.085 ( -3.955 -13.021 0.461) 13.616 21.535 ( 13.246 -1.850 -1.784) 13.493 22.035 ( -3.628 2.296 -1.060) 4.423 22.158 ( -0.805 8.367 -5.259) 9.915 22.863 ( -4.044 -3.420 3.436) 6.313 23.208 ( 14.779 0.103 1.104) 14.821 ======================= Grid point 665 (246/489) ======================= q-point: (-0.24 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.410 ( -10.282 -0.868 -4.173) 11.130 6.352 ( -17.478 17.160 -1.355) 24.532 7.070 ( -7.581 5.950 6.269) 11.497 7.515 ( -19.832 1.300 -9.550) 22.050 8.165 ( -6.578 -2.932 1.625) 7.383 8.486 ( -6.677 -0.055 2.084) 6.995 10.035 ( -6.605 16.074 -11.206) 20.678 10.925 ( -13.899 16.118 2.406) 21.419 11.262 ( 0.925 12.023 -2.387) 12.293 12.018 ( -25.925 -22.415 19.502) 39.432 13.410 ( 4.074 -1.305 9.727) 10.626 13.875 ( -16.058 17.167 -0.644) 23.515 14.968 ( -23.667 -18.893 -12.743) 32.855 16.481 ( -10.372 -13.771 1.741) 17.328 17.694 ( 1.849 -12.877 5.824) 14.253 20.869 ( -5.283 -9.960 0.403) 11.282 21.752 ( 8.019 2.806 -0.197) 8.498 21.977 ( -3.283 1.222 -0.507) 3.540 22.308 ( 8.691 7.551 -8.691) 14.425 22.814 ( 2.564 -2.269 6.246) 7.123 23.563 ( 21.612 3.198 0.174) 21.848 ======================= Grid point 666 (247/489) ======================= q-point: (-0.18 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.159 ( -19.185 3.319 -3.179) 19.728 6.193 ( -16.097 11.904 -8.010) 21.564 6.934 ( -21.027 -1.644 -4.659) 21.600 7.057 ( -20.659 2.133 5.318) 21.439 8.085 ( -1.642 -2.421 -4.483) 5.353 8.316 ( -10.985 -3.385 13.673) 17.863 10.007 ( -12.735 13.931 -9.291) 21.037 10.659 ( -29.714 14.153 -2.192) 32.985 11.144 ( -34.997 -20.312 12.593) 42.379 11.639 ( 12.518 2.277 0.018) 12.723 13.444 ( -2.364 -2.031 8.988) 9.514 13.776 ( -10.932 9.278 1.697) 14.438 14.215 ( -33.835 -19.852 -8.861) 40.218 16.025 ( -22.152 -13.923 -3.799) 26.438 17.609 ( -0.698 -10.001 5.533) 11.451 20.714 ( -4.029 -5.056 2.104) 6.799 21.854 ( 0.164 4.395 0.516) 4.428 21.947 ( -1.873 1.176 -0.131) 2.216 22.504 ( 8.093 2.995 -7.549) 11.465 22.986 ( 16.173 1.216 5.268) 17.053 24.002 ( 23.875 3.351 -0.457) 24.113 ======================= Grid point 667 (248/489) ======================= q-point: (-0.12 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.772 ( -30.269 6.343 0.844) 30.938 5.925 ( -26.139 4.365 -16.571) 31.255 6.367 ( -24.141 -5.062 -1.705) 24.725 6.883 ( -13.893 6.518 7.133) 16.923 7.908 ( -9.515 -9.559 -14.171) 19.564 8.207 ( -3.684 -1.282 26.167) 26.456 9.681 ( -39.373 -1.614 2.634) 39.494 10.196 ( -28.663 0.886 -7.415) 29.620 10.349 ( -34.071 -0.598 10.131) 35.550 11.874 ( 6.902 -2.064 -7.282) 10.243 13.285 ( -19.034 -7.257 0.517) 20.378 13.425 ( -20.169 -5.328 -9.948) 23.111 13.672 ( -14.771 -3.371 11.999) 19.327 15.544 ( -15.080 -5.359 -7.253) 17.571 17.468 ( -6.740 -7.596 3.187) 10.644 20.634 ( -2.221 -1.715 6.311) 6.907 21.881 ( -1.202 3.330 0.597) 3.591 21.919 ( -2.633 0.960 -0.032) 2.803 22.622 ( 4.976 0.599 -2.957) 5.819 23.379 ( 23.579 2.808 1.158) 23.774 24.450 ( 23.142 2.682 -1.054) 23.321 ======================= Grid point 674 (249/489) ======================= q-point: ( 0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.138 ( 0.000 31.509 22.601) 38.776 3.902 ( 0.000 44.697 16.750) 47.732 5.642 ( -0.000 13.076 -21.310) 25.002 5.648 ( -0.000 26.688 -20.003) 33.352 6.919 ( 0.000 81.887 34.703) 88.937 7.743 ( 0.000 0.880 8.571) 8.616 8.455 ( 0.000 16.215 25.923) 30.577 8.951 ( -0.000 16.908 -2.601) 17.107 9.104 ( -0.000 17.617 -17.132) 24.574 10.857 ( -0.000 31.670 -6.049) 32.243 11.290 ( -0.000 40.783 -22.797) 46.723 12.948 ( 0.000 4.871 0.147) 4.873 13.589 ( -0.000 -4.578 -6.104) 7.630 15.789 ( -0.000 -25.017 -2.412) 25.133 16.554 ( -0.000 29.623 -9.423) 31.085 21.154 ( 0.000 -10.054 25.017) 26.961 21.786 ( 0.000 1.518 0.179) 1.529 21.900 ( -0.000 -1.734 -0.146) 1.741 22.643 ( 0.000 6.204 3.215) 6.988 24.481 ( -0.000 -23.211 -1.816) 23.282 25.264 ( -0.000 -12.046 -5.045) 13.060 ======================= Grid point 675 (250/489) ======================= q-point: ( 0.35 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.704 ( 22.050 28.646 18.847) 40.768 4.472 ( 11.166 39.637 10.113) 42.404 5.675 ( -2.155 15.941 -19.043) 24.928 6.038 ( 14.971 21.577 -19.928) 32.967 7.579 ( -9.321 26.446 13.052) 30.930 8.083 ( 20.484 42.768 24.039) 53.165 8.627 ( -2.189 13.757 22.190) 26.200 9.177 ( 6.039 21.993 -3.830) 23.126 9.462 ( 17.785 20.905 -1.376) 27.481 11.151 ( 0.525 29.251 -6.927) 30.065 11.706 ( 5.339 39.575 -34.469) 52.752 13.049 ( 4.994 6.015 0.375) 7.827 13.562 ( -1.062 4.592 4.318) 6.392 15.493 ( -3.773 -22.179 -8.307) 23.982 16.873 ( 3.825 27.881 -4.420) 28.487 21.096 ( -2.146 -8.345 23.287) 24.830 21.818 ( 1.619 1.946 0.375) 2.560 21.889 ( 0.689 -1.447 -0.259) 1.623 22.689 ( -0.358 1.646 1.716) 2.404 24.186 ( -5.762 -23.048 -2.090) 23.849 25.079 ( -4.401 -14.659 -4.221) 15.877 ======================= Grid point 676 (251/489) ======================= q-point: ( 0.41 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.501 ( 29.573 25.981 16.814) 42.805 5.105 ( 17.526 29.967 0.782) 34.724 5.802 ( 1.260 19.407 -13.982) 23.952 6.477 ( 15.958 18.640 -20.593) 32.034 7.604 ( -7.418 10.796 9.716) 16.309 8.581 ( 1.413 5.853 9.523) 11.267 9.215 ( 23.616 46.850 30.984) 60.931 9.573 ( 10.545 25.891 -0.011) 27.956 10.063 ( 22.930 21.893 9.175) 33.004 11.399 ( -0.084 18.117 -14.387) 23.135 12.096 ( 9.588 33.025 -37.059) 50.556 13.235 ( 7.054 8.564 0.932) 11.134 13.716 ( 2.891 17.946 14.482) 23.241 15.210 ( -3.924 -12.368 -14.097) 19.160 17.202 ( 5.422 20.391 0.004) 21.099 21.022 ( -3.010 -6.948 19.041) 20.491 21.881 ( 2.195 2.908 0.747) 3.719 21.895 ( 1.275 -0.451 -0.268) 1.378 22.667 ( -1.516 -2.963 -0.082) 3.329 23.816 ( -9.558 -21.516 -1.267) 23.578 24.792 ( -8.518 -17.422 -3.299) 19.672 ======================= Grid point 677 (252/489) ======================= q-point: ( 0.47 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.250 ( 21.677 17.001 19.758) 33.902 5.650 ( 16.961 20.575 -12.315) 29.371 6.104 ( 9.532 28.713 -7.986) 31.291 6.855 ( 12.294 15.747 -21.468) 29.326 7.633 ( -4.437 11.035 13.526) 18.012 8.661 ( -0.104 6.016 9.651) 11.373 9.932 ( 14.573 12.881 0.284) 19.452 10.222 ( 23.678 38.239 18.940) 48.801 10.709 ( 16.264 30.125 14.662) 37.243 11.390 ( -4.299 -1.033 -16.905) 17.474 12.658 ( 22.349 37.718 -29.333) 52.750 13.458 ( 5.321 11.596 3.448) 13.216 14.008 ( 4.643 12.571 18.825) 23.108 15.103 ( 3.068 4.668 -20.473) 21.222 17.462 ( 5.418 10.813 3.646) 12.632 20.940 ( -2.926 -6.125 12.903) 14.579 21.913 ( 0.127 1.945 0.120) 1.953 21.952 ( 1.850 2.147 0.744) 2.930 22.588 ( -1.555 -5.790 -1.606) 6.207 23.421 ( -11.374 -18.940 0.545) 22.100 24.418 ( -11.478 -19.601 -2.469) 22.848 ======================= Grid point 678 (253/489) ======================= q-point: ( 0.53 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.608 ( 6.642 1.459 13.324) 14.959 6.149 ( 13.189 27.279 -6.632) 31.017 6.625 ( 17.613 26.031 -9.944) 32.965 7.129 ( 6.884 14.685 -20.304) 25.987 7.744 ( -0.540 12.459 17.676) 21.632 8.756 ( 0.407 8.032 5.855) 9.948 10.190 ( 4.127 5.878 -1.806) 7.406 10.912 ( 10.804 19.998 -10.036) 24.847 11.211 ( 1.193 23.388 3.283) 23.647 11.420 ( 15.136 14.535 21.098) 29.757 13.430 ( 28.767 28.912 -21.923) 46.305 13.629 ( 0.031 9.024 9.167) 12.863 14.210 ( 4.654 11.015 11.137) 16.341 15.325 ( 14.118 13.664 -18.656) 27.094 17.627 ( 5.385 0.743 6.238) 8.274 20.862 ( -1.516 -5.613 6.859) 8.992 21.921 ( -3.065 2.003 0.178) 3.666 21.977 ( 0.411 -0.635 0.327) 0.824 22.515 ( 0.512 -4.177 -2.943) 5.135 23.050 ( -11.105 -14.789 3.018) 18.739 23.992 ( -12.734 -20.288 -1.702) 24.014 ======================= Grid point 679 (254/489) ======================= q-point: ( 0.59 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.684 ( 1.076 -2.628 9.330) 9.752 6.565 ( 4.844 24.224 -0.319) 24.706 7.145 ( 16.099 19.971 -9.608) 27.393 7.289 ( -0.059 13.882 -17.495) 22.334 7.959 ( 5.501 13.436 15.408) 21.171 8.842 ( -1.983 8.721 -1.670) 9.098 10.217 ( -2.535 1.907 -3.335) 4.602 10.952 ( -9.405 11.819 -12.023) 19.306 11.601 ( 3.829 31.524 1.608) 31.796 11.966 ( 18.517 11.402 27.716) 35.229 13.575 ( -5.738 -3.552 10.884) 12.806 14.099 ( 13.994 22.180 -9.288) 27.822 14.598 ( 17.880 25.322 -5.017) 31.402 15.687 ( 18.679 4.268 -10.634) 21.913 17.700 ( 5.817 -8.935 7.277) 12.908 20.821 ( 2.229 -4.959 2.728) 6.083 21.787 ( -7.588 -9.088 -0.418) 11.846 21.997 ( 0.581 2.836 -0.588) 2.954 22.502 ( -0.673 0.795 -4.912) 5.022 22.779 ( -5.872 -8.246 6.017) 11.777 23.568 ( -11.985 -18.643 -0.782) 22.177 ======================= Grid point 680 (255/489) ======================= q-point: ( 0.65 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.660 ( -1.493 -4.793 7.866) 9.331 6.821 ( -1.882 20.919 3.105) 21.232 7.292 ( -5.841 8.275 -8.288) 13.087 7.579 ( 11.057 18.411 -11.158) 24.202 8.252 ( 8.043 12.804 7.640) 16.941 8.810 ( -8.693 4.658 -9.721) 13.848 10.208 ( -3.358 9.888 -1.506) 10.551 10.873 ( -9.644 10.122 -3.017) 14.303 11.901 ( -9.173 35.952 -2.543) 37.191 12.360 ( 13.080 -3.025 26.234) 29.470 13.442 ( -5.833 -5.142 10.134) 12.774 14.410 ( -3.711 26.744 -2.505) 27.116 15.133 ( 16.745 15.104 -17.816) 28.739 16.014 ( 21.240 -5.457 1.041) 21.955 17.680 ( 5.159 -17.300 6.511) 19.191 20.872 ( 8.388 -3.970 0.948) 9.329 21.508 ( -8.106 -15.453 -0.997) 17.479 22.048 ( 0.814 5.011 -1.613) 5.326 22.418 ( -8.425 2.240 -3.544) 9.410 22.757 ( 5.641 -0.616 4.227) 7.076 23.207 ( -9.265 -14.797 0.497) 17.465 ======================= Grid point 681 (256/489) ======================= q-point: (-0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.583 ( -2.825 -5.648 6.409) 8.997 6.939 ( -9.844 20.079 3.504) 22.635 7.233 ( -4.599 3.765 -5.103) 7.834 7.857 ( 1.536 17.187 -6.435) 18.417 8.472 ( 1.160 6.037 -8.966) 10.871 8.612 ( -11.174 1.888 -0.970) 11.374 10.282 ( -5.826 19.822 -5.244) 21.315 10.837 ( -2.368 5.487 4.177) 7.291 11.985 ( -20.751 33.922 -4.351) 40.003 12.459 ( 0.950 -14.701 24.996) 29.014 13.347 ( -2.094 -2.727 8.491) 9.161 14.508 ( -15.785 27.034 -1.202) 31.328 15.321 ( 2.374 -2.193 -20.188) 20.445 16.320 ( 17.783 -7.680 7.255) 20.684 17.573 ( 4.438 -21.348 4.864) 22.340 20.975 ( 4.153 -8.601 1.345) 9.645 21.296 ( 5.219 -8.701 -2.135) 10.368 22.104 ( -0.831 4.757 -1.745) 5.134 22.298 ( -6.901 5.064 -3.062) 9.091 22.899 ( 1.653 0.912 1.843) 2.638 22.977 ( 4.163 -9.214 2.064) 10.320 ======================= Grid point 682 (257/489) ======================= q-point: (-0.24 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.482 ( -3.942 -4.948 4.802) 7.943 6.884 ( -17.600 17.482 -2.914) 24.978 7.209 ( -2.568 3.361 2.983) 5.176 7.900 ( -15.951 14.297 -8.006) 22.868 8.256 ( -9.282 -4.946 -13.990) 17.502 8.608 ( -4.569 4.304 10.156) 11.939 10.349 ( -8.801 22.603 -12.798) 27.425 10.942 ( 7.466 2.276 8.018) 11.190 11.844 ( -28.157 26.094 -5.689) 38.809 12.213 ( -14.926 -19.302 23.012) 33.540 13.353 ( 2.485 -1.893 8.781) 9.320 14.410 ( -21.834 20.838 -1.528) 30.220 15.104 ( -13.649 -11.817 -14.257) 23.004 16.429 ( 2.448 -10.821 2.686) 11.415 17.475 ( 6.794 -17.889 5.173) 19.822 20.838 ( -3.196 -10.472 0.900) 10.986 21.515 ( 18.261 0.178 -1.485) 18.322 22.069 ( -5.229 1.509 -0.680) 5.484 22.307 ( 0.142 8.314 -4.531) 9.470 22.794 ( -2.452 -4.808 3.673) 6.528 23.222 ( 18.684 0.498 0.619) 18.701 ======================= Grid point 683 (258/489) ======================= q-point: (-0.18 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.365 ( -6.466 -2.508 3.996) 8.004 6.689 ( -21.126 14.347 -7.689) 26.669 7.178 ( -7.379 2.798 3.748) 8.737 7.538 ( -29.372 5.057 -6.827) 30.576 8.099 ( -4.246 -2.688 -9.807) 11.019 8.522 ( -10.514 0.634 14.845) 18.202 10.368 ( -10.664 20.178 -14.482) 27.029 11.084 ( -0.751 -2.719 6.665) 7.237 11.558 ( -21.206 15.365 -8.519) 27.538 11.699 ( -26.580 -14.907 20.384) 36.664 13.409 ( 3.533 -3.460 10.165) 11.304 14.186 ( -21.357 11.937 -2.038) 24.551 14.573 ( -27.823 -12.502 -8.317) 31.617 16.204 ( -13.285 -11.419 -5.005) 18.219 17.467 ( 6.306 -10.908 6.596) 14.221 20.718 ( -1.823 -5.217 1.867) 5.833 21.808 ( 11.611 2.419 -0.583) 11.874 21.998 ( -3.597 0.893 -0.144) 3.709 22.411 ( 4.217 6.040 -5.852) 9.408 22.789 ( 6.363 -2.991 5.242) 8.770 23.603 ( 23.199 1.013 -0.355) 23.224 ======================= Grid point 684 (259/489) ======================= q-point: (-0.12 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.204 ( -13.415 1.579 5.660) 14.645 6.398 ( -23.083 9.607 -12.591) 27.994 6.847 ( -31.311 -0.467 -8.947) 32.568 7.188 ( -13.916 3.417 11.579) 18.423 7.928 ( -7.132 -7.000 -16.705) 19.466 8.376 ( -9.585 -0.085 22.171) 24.154 10.278 ( -19.466 15.987 -8.838) 26.695 10.653 ( -32.454 -13.568 7.377) 35.941 11.066 ( -38.188 4.037 9.699) 39.607 11.637 ( 12.993 -0.623 -9.079) 15.863 13.420 ( -1.807 -4.362 10.910) 11.888 13.820 ( -30.330 -4.166 -11.786) 32.805 13.988 ( -21.650 1.327 4.410) 22.134 15.786 ( -19.483 -5.893 -9.791) 22.587 17.467 ( 0.572 -5.261 5.559) 7.675 20.665 ( -1.430 -1.411 4.952) 5.344 21.933 ( -0.088 2.870 0.254) 2.883 21.960 ( -1.072 -0.316 0.103) 1.122 22.530 ( 5.347 2.536 -4.063) 7.178 23.010 ( 19.111 -0.772 3.228) 19.397 24.038 ( 24.758 0.788 -1.061) 24.793 ======================= Grid point 692 (260/489) ======================= q-point: ( 0.35 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.811 ( 0.000 25.392 16.746) 30.417 4.792 ( 0.000 36.355 7.473) 37.116 5.812 ( -0.000 14.442 -13.459) 19.741 6.106 ( -0.000 26.409 -17.838) 31.869 7.816 ( 0.000 2.431 8.657) 8.992 8.365 ( -0.000 29.051 -0.170) 29.051 8.924 ( 0.000 33.267 34.855) 48.182 9.313 ( -0.000 19.106 -2.166) 19.228 9.605 ( 0.000 35.879 11.128) 37.565 11.416 ( -0.000 25.153 -12.206) 27.958 11.973 ( -0.000 36.231 -37.361) 52.043 13.059 ( 0.000 5.785 0.718) 5.830 13.703 ( 0.000 18.456 11.576) 21.786 15.283 ( -0.000 -18.922 -11.737) 22.267 17.124 ( -0.000 27.396 -2.167) 27.481 21.087 ( 0.000 -7.580 21.534) 22.829 21.816 ( 0.000 1.017 0.238) 1.044 21.865 ( -0.000 -1.351 -0.282) 1.380 22.700 ( 0.000 -1.470 0.765) 1.657 23.997 ( -0.000 -22.735 -1.837) 22.809 24.952 ( -0.000 -16.540 -3.713) 16.951 ======================= Grid point 693 (261/489) ======================= q-point: ( 0.41 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.298 ( 22.179 22.181 13.763) 34.253 5.205 ( 6.597 28.815 3.170) 29.730 5.957 ( 0.785 19.941 -7.855) 21.447 6.416 ( 9.344 22.858 -17.278) 30.138 7.815 ( -4.916 5.150 7.325) 10.215 8.551 ( 6.428 2.614 -5.220) 8.684 9.393 ( 6.808 25.873 24.780) 36.466 9.629 ( 13.071 21.637 -1.273) 25.311 10.178 ( 7.276 51.560 27.715) 58.987 11.531 ( -2.476 7.014 -19.962) 21.303 12.292 ( 2.432 41.281 -33.677) 53.331 13.184 ( 6.690 6.965 0.897) 9.699 13.968 ( -0.889 24.682 18.096) 30.618 15.096 ( -0.463 -7.747 -17.609) 19.243 17.386 ( 0.082 23.036 0.670) 23.046 21.044 ( -2.079 -6.446 17.762) 19.010 21.841 ( 2.405 -0.822 -0.258) 2.555 21.875 ( 1.660 1.102 0.397) 2.032 22.654 ( -1.423 -5.235 -0.420) 5.441 23.725 ( -4.956 -20.927 -0.882) 21.524 24.721 ( -4.897 -18.692 -3.023) 19.558 ======================= Grid point 694 (262/489) ======================= q-point: ( 0.47 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.016 ( 28.923 17.903 12.629) 36.284 5.595 ( 9.250 20.482 -1.141) 22.502 6.231 ( 6.112 25.090 -5.050) 26.313 6.770 ( 10.995 18.205 -17.901) 27.798 7.817 ( -3.178 7.172 7.604) 10.925 8.677 ( 5.813 2.225 1.365) 6.372 9.770 ( 12.464 7.735 11.667) 18.743 10.188 ( 22.889 23.893 -1.306) 33.113 10.933 ( 8.188 51.146 32.510) 61.154 11.417 ( -4.490 -3.755 -19.884) 20.727 12.746 ( 7.856 43.825 -29.266) 53.281 13.432 ( 10.585 10.448 1.570) 14.955 14.166 ( -2.581 8.607 20.927) 22.775 15.089 ( 2.116 14.420 -22.339) 26.673 17.578 ( -1.566 15.654 3.296) 16.074 20.968 ( -3.492 -5.477 12.192) 13.814 21.882 ( 3.325 -0.754 -0.368) 3.429 21.938 ( 2.620 2.032 0.960) 3.452 22.549 ( -2.128 -7.942 -1.056) 8.290 23.407 ( -8.211 -18.005 0.451) 19.794 24.390 ( -9.030 -20.480 -2.329) 22.503 ======================= Grid point 695 (263/489) ======================= q-point: ( 0.53 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.559 ( 10.543 7.697 15.996) 20.647 6.034 ( 19.788 21.070 -8.545) 30.142 6.637 ( 11.363 24.535 -4.070) 27.343 7.080 ( 10.205 15.003 -18.095) 25.625 7.894 ( -0.033 8.508 11.558) 14.352 8.804 ( 3.815 5.053 3.022) 7.016 10.045 ( 12.354 -1.506 3.234) 12.859 10.841 ( 21.996 22.499 -9.492) 32.865 11.298 ( 0.628 0.673 -2.635) 2.791 11.597 ( 4.562 41.346 24.556) 48.305 13.299 ( 15.644 34.108 -22.342) 43.672 13.721 ( 5.069 11.718 4.918) 13.682 14.229 ( 4.354 3.062 13.452) 14.467 15.308 ( 3.852 23.463 -19.435) 30.710 17.656 ( -3.315 6.091 5.257) 8.702 20.872 ( -3.767 -4.742 6.629) 8.979 21.935 ( 2.887 -1.397 -0.114) 3.210 21.971 ( -0.986 -0.197 0.463) 1.107 22.447 ( 0.574 -6.360 -0.773) 6.432 23.089 ( -9.228 -13.682 1.610) 16.581 23.991 ( -11.352 -20.977 -1.672) 23.910 ======================= Grid point 696 (264/489) ======================= q-point: ( 0.59 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.706 ( -0.426 1.883 13.066) 13.208 6.561 ( 16.577 18.405 -8.177) 26.085 7.072 ( 13.039 19.443 -4.402) 23.820 7.351 ( 6.902 14.564 -16.072) 22.761 8.031 ( 3.262 7.390 15.722) 17.676 8.924 ( 1.861 7.556 -2.883) 8.299 10.188 ( 6.615 -1.150 -1.122) 6.807 11.124 ( 0.814 7.398 -13.834) 15.709 11.655 ( 17.822 23.000 11.562) 31.309 12.054 ( 2.743 27.315 15.877) 31.713 13.646 ( -1.968 -0.500 3.670) 4.194 13.993 ( 16.252 23.935 -8.605) 30.184 14.578 ( 16.643 20.185 5.218) 26.676 15.541 ( 3.927 15.010 -15.671) 22.053 17.613 ( -3.573 -5.068 6.154) 8.736 20.782 ( -2.242 -4.015 2.836) 5.403 21.807 ( -7.061 -12.457 -0.477) 14.326 22.006 ( 1.705 2.883 -0.297) 3.363 22.463 ( 4.354 -0.339 -0.407) 4.386 22.830 ( -7.826 -7.873 2.263) 11.330 23.577 ( -11.310 -19.274 -0.902) 22.366 ======================= Grid point 697 (265/489) ======================= q-point: ( 0.65 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.692 ( -3.502 -1.828 10.116) 10.860 6.932 ( 7.903 15.074 -1.307) 17.070 7.432 ( 3.751 10.937 -8.126) 14.132 7.507 ( 7.048 11.484 -12.382) 18.299 8.271 ( 9.096 10.628 15.542) 20.911 8.963 ( -4.867 6.816 -12.719) 15.229 10.316 ( 4.051 9.452 2.504) 10.584 11.123 ( -6.468 6.984 -7.036) 11.837 12.161 ( 9.722 15.748 17.421) 25.416 12.358 ( 2.332 21.940 2.688) 22.227 13.521 ( -6.615 -5.479 7.920) 11.684 14.516 ( 15.579 22.415 -8.905) 28.713 15.122 ( 13.432 26.411 0.139) 29.630 15.671 ( 7.238 -0.817 -8.383) 11.105 17.466 ( -1.507 -16.948 5.582) 17.907 20.745 ( 2.062 -2.889 1.137) 3.727 21.497 ( -9.495 -17.168 -0.623) 19.629 22.071 ( 1.789 4.437 -1.121) 4.913 22.534 ( -0.205 2.927 -2.644) 3.950 22.683 ( -1.135 -3.987 3.917) 5.704 23.218 ( -9.094 -14.981 0.115) 17.525 ======================= Grid point 698 (266/489) ======================= q-point: ( 0.71 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.612 ( -4.188 -4.046 8.117) 9.990 7.159 ( 1.807 12.391 5.916) 13.849 7.379 ( -8.102 3.212 -7.318) 11.380 7.820 ( 13.697 8.664 -13.802) 21.288 8.576 ( 5.118 14.349 13.364) 20.266 8.825 ( -12.953 4.889 -16.884) 21.835 10.525 ( 1.600 18.172 3.818) 18.637 11.013 ( -9.984 4.253 -5.300) 12.077 12.345 ( 2.742 -8.062 22.520) 24.077 12.591 ( -8.893 30.548 -4.518) 32.136 13.388 ( -4.202 -4.162 7.036) 9.192 14.908 ( 3.982 21.987 -6.063) 23.152 15.364 ( -10.264 15.306 -14.605) 23.514 15.898 ( 23.069 -5.442 8.542) 25.194 17.262 ( 2.837 -25.828 3.643) 26.238 20.809 ( 6.839 -2.399 1.160) 7.340 21.178 ( -5.195 -15.041 -1.237) 15.961 22.154 ( 1.296 6.327 -1.610) 6.656 22.461 ( -7.509 2.738 -2.874) 8.494 22.744 ( 8.460 -3.900 3.095) 9.817 22.967 ( -5.970 -7.727 1.020) 9.818 ======================= Grid point 699 (267/489) ======================= q-point: (-0.24 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.513 ( -3.822 -4.486 6.885) 9.063 7.226 ( -9.620 4.300 -5.355) 11.820 7.293 ( -1.304 6.496 8.403) 10.702 8.051 ( 7.788 4.580 -14.158) 16.795 8.526 ( -22.299 9.225 -21.009) 31.996 8.775 ( -1.922 8.061 18.255) 20.048 10.698 ( -6.993 21.530 -10.824) 25.092 10.902 ( -0.646 -1.357 5.991) 6.176 12.225 ( -7.217 -16.936 19.578) 26.874 12.592 ( -21.741 24.439 -2.735) 32.824 13.330 ( -0.405 -2.855 6.515) 7.124 15.008 ( -18.684 20.838 -1.923) 28.053 15.183 ( -9.989 -1.758 -13.693) 17.040 16.212 ( 12.595 -4.888 5.366) 14.537 17.121 ( 10.543 -22.944 3.157) 25.447 20.792 ( -2.702 -8.248 1.314) 8.778 21.184 ( 16.051 -2.236 -1.509) 16.276 22.181 ( -4.965 3.302 -0.762) 6.011 22.400 ( -2.258 6.251 -3.240) 7.394 22.777 ( -0.053 -8.810 2.645) 9.199 22.956 ( 10.108 1.067 0.980) 10.211 ======================= Grid point 700 (268/489) ======================= q-point: (-0.18 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.427 ( -3.296 -2.998 6.490) 7.872 7.058 ( -12.015 3.413 -7.823) 14.738 7.322 ( -4.693 3.612 10.708) 12.237 8.098 ( -1.826 -2.573 -16.009) 16.318 8.121 ( -27.915 10.316 -12.965) 32.462 8.769 ( -9.929 3.660 17.877) 20.774 10.670 ( -7.536 12.390 -22.518) 26.784 11.000 ( 4.876 1.761 12.885) 13.889 11.864 ( -17.512 -16.945 15.114) 28.675 12.315 ( -30.756 13.168 -0.698) 33.463 13.334 ( 2.671 -3.833 7.385) 8.739 14.711 ( -26.328 7.902 -5.227) 27.981 14.912 ( -19.970 0.062 -3.172) 20.221 16.227 ( -2.030 -7.956 -5.945) 10.137 17.201 ( 13.802 -9.058 6.902) 17.893 20.694 ( -0.903 -3.864 1.366) 4.196 21.517 ( 20.401 0.501 -1.106) 20.437 22.090 ( -5.895 0.785 -0.222) 5.951 22.449 ( -0.621 7.220 -2.672) 7.723 22.704 ( 0.536 -5.592 3.038) 6.387 23.228 ( 19.118 -0.082 0.065) 19.118 ======================= Grid point 701 (269/489) ======================= q-point: (-0.12 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.368 ( -4.017 0.491 7.603) 8.613 6.803 ( -18.361 0.924 -8.866) 20.410 7.228 ( -11.714 0.929 2.198) 11.955 7.631 ( -29.713 4.205 -0.806) 30.019 7.957 ( -7.667 -4.573 -16.388) 18.662 8.624 ( -12.136 0.549 17.987) 21.705 10.593 ( -7.129 5.022 -19.618) 21.468 11.051 ( -11.731 1.661 15.018) 19.129 11.442 ( -9.119 -11.998 4.810) 15.819 11.802 ( -34.373 2.545 -0.459) 34.470 13.373 ( 3.643 -3.885 8.848) 10.327 14.284 ( -25.795 1.915 -6.879) 26.765 14.479 ( -29.166 3.165 1.790) 29.392 16.010 ( -12.632 -2.873 -12.535) 18.027 17.375 ( 7.934 -0.367 7.720) 11.076 20.678 ( 0.074 0.127 3.080) 3.083 21.831 ( 13.095 -0.008 -0.853) 13.122 22.009 ( -3.929 0.152 0.083) 3.933 22.504 ( 0.754 5.040 -2.212) 5.556 22.737 ( 9.463 -4.113 3.382) 10.858 23.608 ( 23.629 -0.160 -0.837) 23.644 ======================= Grid point 710 (270/489) ======================= q-point: ( 0.41 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.329 ( 0.000 18.873 12.168) 22.455 5.439 ( 0.000 25.513 4.085) 25.838 6.147 ( -0.000 21.485 -3.805) 21.820 6.534 ( -0.000 23.062 -15.569) 27.826 7.921 ( 0.000 3.689 8.586) 9.345 8.460 ( -0.000 -0.856 -13.361) 13.389 9.592 ( 0.000 12.780 22.076) 25.508 9.685 ( -0.000 17.979 -1.761) 18.065 10.806 ( 0.000 62.155 34.111) 70.900 11.504 ( -0.000 -5.711 -23.019) 23.717 12.659 ( -0.000 48.063 -30.824) 57.098 13.186 ( 0.000 6.176 1.114) 6.275 14.236 ( 0.000 11.299 21.221) 24.042 15.064 ( -0.000 14.153 -22.142) 26.279 17.626 ( 0.000 21.771 1.942) 21.857 21.043 ( 0.000 -5.165 14.990) 15.855 21.803 ( -0.000 -1.774 -0.559) 1.860 21.870 ( 0.000 1.382 0.436) 1.450 22.598 ( -0.000 -8.196 -0.725) 8.228 23.563 ( 0.000 -19.037 -0.178) 19.038 24.562 ( -0.000 -20.147 -2.562) 20.309 ======================= Grid point 711 (271/489) ======================= q-point: ( 0.47 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.738 ( 21.944 15.717 10.004) 28.786 5.719 ( 2.736 21.537 6.497) 22.662 6.380 ( 2.659 21.711 -4.021) 22.240 6.774 ( 5.673 19.526 -15.123) 25.341 7.942 ( -3.007 4.143 6.493) 8.269 8.518 ( 10.084 -0.499 -9.835) 14.095 9.742 ( 2.360 3.467 18.326) 18.800 10.014 ( 16.783 17.499 -2.174) 24.344 11.349 ( -1.219 -9.222 -21.121) 23.079 11.512 ( 0.614 56.883 33.595) 66.065 13.078 ( 0.059 44.964 -27.823) 52.876 13.347 ( 9.768 10.193 0.174) 14.119 14.260 ( -1.930 -8.046 15.340) 17.429 15.283 ( -0.748 34.777 -17.836) 39.091 17.808 ( -3.260 17.379 3.278) 17.983 21.005 ( -2.683 -3.600 10.479) 11.401 21.809 ( 2.808 -1.673 -0.637) 3.330 21.909 ( 2.390 1.462 0.749) 2.900 22.487 ( -1.384 -10.482 -0.267) 10.576 23.345 ( -4.243 -16.138 0.404) 16.692 24.299 ( -5.068 -21.315 -2.020) 22.002 ======================= Grid point 712 (272/489) ======================= q-point: ( 0.53 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.361 ( 25.946 11.295 9.129) 29.734 6.007 ( 5.781 19.465 6.792) 21.411 6.666 ( 8.341 18.165 -6.454) 21.004 7.032 ( 7.299 15.163 -14.681) 22.332 7.979 ( 0.368 5.339 7.288) 9.042 8.707 ( 11.034 1.928 -5.353) 12.414 9.847 ( 6.861 -4.511 12.294) 14.784 10.577 ( 25.876 17.125 -6.755) 31.756 11.235 ( 2.814 -4.508 -9.667) 11.031 12.101 ( -2.385 45.911 25.668) 52.654 13.424 ( 4.722 27.722 -16.440) 32.574 13.723 ( 10.841 21.871 -5.163) 24.950 14.170 ( 1.887 -9.046 10.094) 13.685 15.571 ( -3.511 33.993 -14.101) 36.969 17.863 ( -7.896 10.477 4.293) 13.804 20.927 ( -4.736 -2.166 5.639) 7.676 21.853 ( 3.654 -2.471 -0.453) 4.434 21.962 ( 1.589 -0.175 0.543) 1.689 22.362 ( 0.133 -9.483 1.170) 9.556 23.103 ( -6.609 -11.893 0.501) 13.616 23.952 ( -8.813 -21.267 -1.474) 23.067 ======================= Grid point 713 (273/489) ======================= q-point: ( 0.59 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.748 ( 5.183 4.406 10.503) 12.513 6.420 ( 17.028 19.425 -0.995) 25.851 7.012 ( 13.395 13.172 -4.044) 19.217 7.283 ( 9.605 12.515 -13.440) 20.724 8.071 ( 1.628 3.123 12.005) 12.511 8.895 ( 7.895 4.751 -6.691) 11.387 9.981 ( 12.140 -4.961 6.559) 14.664 11.027 ( 10.761 4.612 -14.979) 19.012 11.497 ( 24.694 14.181 7.265) 29.388 12.452 ( -7.886 31.579 13.529) 35.248 13.683 ( 0.408 5.749 -1.203) 5.888 13.986 ( 7.486 16.811 -5.895) 19.324 14.420 ( 20.057 13.213 4.125) 24.370 15.756 ( -6.689 25.699 -13.070) 29.597 17.757 ( -12.297 1.399 4.771) 13.264 20.830 ( -5.281 -0.854 2.317) 5.830 21.782 ( -4.845 -12.505 -0.166) 13.412 21.991 ( 2.532 1.682 -0.410) 3.067 22.354 ( 5.670 -3.538 2.598) 7.170 22.892 ( -6.587 -5.891 0.014) 8.837 23.570 ( -10.177 -19.168 -0.893) 21.720 ======================= Grid point 714 (274/489) ======================= q-point: ( 0.65 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.777 ( -4.185 -0.251 6.911) 8.083 6.892 ( 14.202 17.186 -1.279) 22.332 7.333 ( 11.732 7.602 -4.876) 14.806 7.522 ( 4.559 8.487 -11.498) 15.001 8.195 ( 9.258 1.146 19.252) 21.393 9.032 ( 2.576 7.337 -14.638) 16.575 10.227 ( 14.771 3.537 7.198) 16.808 11.145 ( 4.561 0.148 -7.043) 8.392 12.159 ( 22.323 20.136 6.939) 30.853 12.558 ( -7.732 16.888 2.682) 18.766 13.591 ( -6.067 -5.420 3.174) 8.733 14.424 ( 16.833 21.489 -4.912) 27.736 14.970 ( 24.020 12.795 6.564) 27.996 15.795 ( -9.789 17.139 -13.082) 23.679 17.484 ( -14.826 -9.711 4.551) 18.298 20.749 ( -3.644 0.593 0.831) 3.784 21.488 ( -9.482 -17.405 -0.043) 19.820 22.067 ( 2.997 3.581 -0.907) 4.757 22.453 ( 7.012 -2.285 2.617) 7.825 22.754 ( -6.032 -0.086 -0.716) 6.075 23.223 ( -8.751 -14.829 -0.216) 17.220 ======================= Grid point 715 (275/489) ======================= q-point: ( 0.71 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.679 ( -5.567 -3.160 4.276) 7.698 7.241 ( 5.963 14.121 6.785) 16.763 7.497 ( -4.290 -2.072 -6.477) 8.041 7.597 ( 12.040 6.150 -12.611) 18.488 8.520 ( 15.480 3.497 21.973) 27.105 9.049 ( -5.790 10.567 -21.536) 24.678 10.570 ( 12.329 10.216 9.772) 18.758 11.143 ( -2.933 -1.063 -7.142) 7.793 12.390 ( -7.956 1.647 10.417) 13.210 12.818 ( 11.953 19.873 -3.498) 23.453 13.439 ( -5.341 -4.891 3.020) 7.847 14.906 ( 14.406 18.415 -4.450) 23.800 15.490 ( 20.321 -2.633 8.945) 22.358 15.751 ( -8.720 23.323 -11.761) 27.537 17.078 ( -12.687 -22.380 3.424) 25.953 20.737 ( 0.849 2.236 0.518) 2.447 21.143 ( -8.781 -16.232 -0.257) 18.457 22.172 ( 3.684 6.339 -1.337) 7.453 22.534 ( 3.812 -4.108 1.297) 5.752 22.653 ( -5.267 0.553 -0.204) 5.300 22.986 ( -4.680 -7.521 0.333) 8.865 ======================= Grid point 716 (276/489) ======================= q-point: (-0.24 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.558 ( -4.635 -4.118 3.625) 7.182 7.340 ( -5.595 -3.567 -4.675) 8.117 7.428 ( -1.737 9.112 12.442) 15.519 7.854 ( 13.301 4.258 -16.738) 21.799 8.763 ( 1.860 -1.953 10.547) 10.887 8.991 ( -8.172 15.143 -9.992) 19.898 10.862 ( 6.277 5.789 13.919) 16.330 10.997 ( -9.272 2.772 -15.746) 18.482 12.226 ( -7.191 -10.859 10.929) 17.002 13.054 ( -6.152 14.278 -2.508) 15.748 13.335 ( -2.475 -3.439 3.071) 5.232 15.228 ( 2.539 13.984 -4.227) 14.828 15.470 ( -7.874 -1.932 -5.272) 9.671 16.075 ( 5.064 19.437 5.255) 20.762 16.693 ( 4.952 -29.593 1.086) 30.024 20.790 ( -2.222 -0.485 1.535) 2.743 20.937 ( 5.830 -6.533 -1.479) 8.880 22.296 ( -0.721 7.929 -0.665) 7.989 22.469 ( -2.352 -1.420 -2.693) 3.847 22.631 ( 3.499 -6.049 2.864) 7.553 22.904 ( -0.408 -0.787 0.376) 0.963 ======================= Grid point 717 (277/489) ======================= q-point: (-0.18 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.462 ( -2.825 -2.986 4.348) 5.984 7.193 ( -6.134 -2.394 -5.149) 8.359 7.468 ( -4.263 2.823 13.332) 14.279 8.021 ( 5.067 2.008 -16.925) 17.781 8.596 ( -18.045 4.753 -12.480) 22.449 8.990 ( -6.674 1.933 16.217) 17.643 10.752 ( -6.102 -7.013 -12.101) 15.260 11.064 ( 0.378 9.867 5.227) 11.173 11.975 ( -10.021 -13.192 10.895) 19.828 12.882 ( -22.430 3.019 -1.647) 22.692 13.279 ( 0.183 -4.273 3.552) 5.560 15.158 ( -18.017 2.225 -6.449) 19.265 15.297 ( -17.161 9.226 3.029) 19.718 16.109 ( 2.283 -9.203 -6.070) 11.258 16.856 ( 20.726 0.840 5.712) 21.515 20.703 ( -2.886 -0.483 0.916) 3.067 21.165 ( 18.359 0.625 -0.695) 18.382 22.221 ( -8.027 0.543 -0.320) 8.052 22.526 ( 0.441 7.248 -1.823) 7.487 22.624 ( 2.929 -7.032 1.940) 7.861 22.967 ( 9.114 -0.417 0.413) 9.133 ======================= Grid point 718 (278/489) ======================= q-point: (-0.12 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.427 ( -0.882 0.339 6.165) 6.237 7.018 ( -10.439 -3.754 -6.238) 12.727 7.399 ( -7.366 -1.845 11.187) 13.521 7.955 ( -7.239 -4.152 -16.914) 18.861 8.226 ( -25.375 5.046 -8.685) 27.291 8.862 ( -10.243 -2.878 16.960) 20.021 10.579 ( -1.324 -8.158 -17.535) 19.386 11.131 ( 0.697 -1.435 8.440) 8.590 11.680 ( -16.617 -1.339 8.235) 18.593 12.354 ( -31.193 -10.189 0.020) 32.815 13.286 ( 3.526 -2.928 5.073) 6.837 14.719 ( -25.898 -5.039 -3.880) 26.668 15.036 ( -24.152 10.524 4.152) 26.671 16.076 ( 0.331 -0.264 -14.559) 14.565 17.238 ( 13.621 8.362 8.137) 17.935 20.698 ( -0.340 3.588 1.555) 3.926 21.521 ( 20.041 0.314 -0.792) 20.059 22.095 ( -6.004 -0.258 -0.179) 6.013 22.555 ( 0.791 -0.937 4.170) 4.346 22.613 ( -0.386 0.406 -2.725) 2.782 23.221 ( 19.138 -0.531 -0.311) 19.148 ======================= Grid point 728 (279/489) ======================= q-point: ( 0.47 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.699 ( 0.000 12.792 9.179) 15.745 5.940 ( 0.000 21.447 11.393) 24.285 6.552 ( -0.000 17.751 -4.571) 18.330 6.887 ( -0.000 18.320 -14.351) 23.272 8.033 ( 0.000 3.027 8.381) 8.910 8.365 ( -0.000 -0.492 -15.221) 15.229 9.790 ( 0.000 -1.561 18.931) 18.995 10.012 ( -0.000 14.504 -1.256) 14.558 11.205 ( -0.000 -9.937 -19.594) 21.970 12.147 ( 0.000 51.823 29.294) 59.530 13.314 ( 0.000 5.650 1.099) 5.756 13.506 ( -0.000 46.170 -26.456) 53.212 14.184 ( 0.000 -13.311 8.181) 15.624 15.654 ( -0.000 39.532 -11.729) 41.235 18.021 ( 0.000 15.679 3.246) 16.012 21.030 ( 0.000 -0.882 7.588) 7.639 21.763 ( -0.000 -1.704 -0.742) 1.858 21.902 ( 0.000 1.340 0.596) 1.466 22.382 ( 0.000 -12.592 1.223) 12.651 23.230 ( 0.000 -13.545 0.064) 13.546 24.120 ( -0.000 -21.885 -1.608) 21.944 ======================= Grid point 729 (280/489) ======================= q-point: ( 0.53 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.039 ( 21.409 9.834 7.663) 24.774 6.192 ( 0.677 20.060 15.551) 25.391 6.703 ( 2.201 11.272 -9.014) 14.600 7.062 ( 3.777 15.200 -13.190) 20.476 8.047 ( -1.604 3.520 6.306) 7.398 8.474 ( 12.768 1.517 -11.235) 17.075 9.772 ( -0.512 -7.504 15.837) 17.533 10.320 ( 18.249 13.258 -1.892) 22.636 11.095 ( 2.470 -6.246 -13.354) 14.948 12.662 ( -3.078 41.537 19.652) 46.054 13.450 ( 8.234 7.493 -0.468) 11.143 13.904 ( 1.490 35.493 -18.336) 39.977 14.064 ( 0.129 -9.284 5.230) 10.657 15.977 ( -4.100 34.517 -9.133) 35.939 18.116 ( -6.059 11.184 3.000) 13.069 21.015 ( -3.794 1.813 4.030) 5.824 21.770 ( 2.576 -1.922 -0.626) 3.275 21.932 ( 1.498 0.242 0.506) 1.600 22.252 ( 0.292 -12.620 3.202) 13.023 23.080 ( -3.217 -9.630 -0.594) 10.171 23.853 ( -4.688 -21.245 -1.163) 21.788 ======================= Grid point 730 (281/489) ======================= q-point: ( 0.59 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.567 ( 22.710 5.714 5.192) 23.986 6.444 ( 3.448 17.747 13.347) 22.472 6.857 ( 10.355 4.775 -9.920) 15.115 7.258 ( 5.621 12.592 -9.885) 16.967 8.104 ( 0.786 3.195 8.696) 9.297 8.712 ( 13.678 2.415 -10.667) 17.513 9.760 ( 6.713 -8.268 12.514) 16.433 10.813 ( 18.692 9.829 -10.493) 23.581 11.178 ( 17.720 0.531 1.430) 17.785 12.944 ( -8.887 28.079 5.232) 29.913 13.705 ( 5.502 6.137 0.411) 8.253 13.945 ( 7.005 -3.156 -1.248) 7.784 14.329 ( 7.578 25.243 -2.136) 26.442 16.155 ( -8.925 26.820 -8.424) 29.495 18.036 ( -13.162 4.568 2.569) 14.167 20.957 ( -6.566 4.014 1.390) 7.820 21.735 ( -3.078 -9.742 0.209) 10.219 21.953 ( 2.577 0.125 -0.433) 2.616 22.211 ( 5.650 -6.559 4.473) 9.744 22.937 ( -4.311 -3.903 -1.275) 5.953 23.535 ( -7.610 -18.577 -0.755) 20.089 ======================= Grid point 731 (282/489) ======================= q-point: ( 0.65 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.820 ( 2.061 -0.149 0.535) 2.135 6.806 ( 14.631 16.371 5.337) 22.596 7.120 ( 16.001 0.223 -2.792) 16.244 7.479 ( 7.954 11.486 -7.247) 15.739 8.134 ( 0.203 -2.992 15.245) 15.537 8.935 ( 10.824 4.283 -14.949) 18.947 9.953 ( 17.795 -1.945 12.021) 21.563 11.018 ( 6.703 1.215 -9.450) 11.650 11.780 ( 35.946 9.160 4.896) 37.417 12.948 ( -14.849 14.791 -5.759) 21.735 13.636 ( -5.127 -6.136 -0.838) 8.039 14.318 ( 19.952 14.382 0.507) 24.601 14.711 ( 14.441 11.019 6.107) 19.164 16.175 ( -12.848 19.578 -8.635) 24.959 17.755 ( -20.011 -3.070 2.021) 20.346 20.883 ( -7.374 5.803 0.192) 9.386 21.480 ( -8.990 -15.945 0.741) 18.320 22.034 ( 4.184 2.923 -0.913) 5.185 22.293 ( 7.750 -4.491 4.131) 9.864 22.853 ( -4.077 2.236 -1.643) 4.932 23.223 ( -8.128 -14.322 -0.467) 16.475 ======================= Grid point 732 (283/489) ======================= q-point: ( 0.71 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.748 ( -5.234 -3.449 -2.665) 6.811 7.229 ( 13.011 12.478 3.260) 18.320 7.326 ( 10.650 -3.180 -3.869) 11.768 7.647 ( -2.354 8.384 -4.178) 9.658 8.262 ( 16.435 -4.874 23.480) 29.072 9.092 ( 5.276 6.414 -20.458) 22.080 10.352 ( 21.420 2.422 14.398) 25.922 11.092 ( 3.530 -1.068 -7.678) 8.517 12.473 ( 24.710 6.534 4.757) 25.999 12.746 ( -10.196 3.534 -10.722) 15.212 13.486 ( -5.057 -4.481 -1.466) 6.914 14.804 ( 15.696 15.663 1.615) 22.233 15.101 ( 23.015 -3.193 8.886) 24.876 16.095 ( -12.059 15.424 -8.909) 21.511 17.289 ( -25.589 -9.595 1.362) 27.362 20.827 ( -5.620 6.216 -0.393) 8.389 21.154 ( -9.808 -13.479 0.761) 16.687 22.147 ( 4.903 4.374 -0.978) 6.643 22.387 ( 6.701 -4.812 3.487) 8.956 22.801 ( -7.106 4.577 -1.847) 8.652 22.982 ( -4.349 -8.630 -0.241) 9.667 ======================= Grid point 733 (284/489) ======================= q-point: (-0.24 -0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.604 ( -5.125 -4.322 -2.585) 7.185 7.316 ( 0.980 -7.319 -1.475) 7.531 7.618 ( -5.595 9.138 12.594) 16.536 7.631 ( 13.697 6.313 -12.649) 19.684 8.589 ( 16.246 -6.037 20.894) 27.146 9.158 ( -0.464 7.395 -19.040) 20.431 10.731 ( 14.039 -2.660 17.227) 22.381 11.079 ( -1.344 1.739 -12.454) 12.646 12.339 ( -14.420 -7.885 -4.362) 17.004 13.039 ( 16.185 1.466 -0.535) 16.260 13.364 ( -4.192 -2.705 -1.051) 5.098 15.188 ( 14.745 7.950 1.342) 16.805 15.387 ( 9.109 -6.684 5.673) 12.642 16.153 ( 8.231 10.509 -4.930) 14.230 16.699 ( -29.117 -8.173 0.175) 30.243 20.812 ( 0.526 -1.780 -1.294) 2.263 20.916 ( -8.362 1.498 1.285) 8.592 22.297 ( 7.556 3.556 -0.778) 8.387 22.428 ( 1.395 -3.305 2.814) 4.559 22.665 ( -8.223 0.182 -1.746) 8.408 22.908 ( -0.857 -0.515 -0.233) 1.027 ======================= Grid point 734 (285/489) ======================= q-point: (-0.18 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.487 ( -2.985 -3.087 -0.586) 4.334 7.223 ( -2.715 -5.684 -1.457) 6.466 7.579 ( -3.617 -0.148 5.307) 6.424 7.909 ( 8.222 6.681 -5.538) 11.955 8.730 ( 2.188 -4.968 6.327) 8.337 9.122 ( -5.306 -0.407 -3.533) 6.388 10.733 ( -4.362 -13.121 2.179) 13.998 11.132 ( 1.935 6.197 -2.322) 6.895 12.029 ( -8.205 -9.627 -0.758) 12.672 13.098 ( -5.357 -9.960 -0.030) 11.309 13.265 ( -2.887 -3.491 -0.448) 4.552 15.338 ( -2.721 -7.639 1.172) 8.193 15.533 ( 7.400 14.905 0.135) 16.642 16.007 ( -13.348 -27.462 -0.209) 30.535 16.651 ( 12.355 24.909 -0.557) 27.811 20.766 ( -0.998 -1.003 -0.151) 1.423 20.960 ( 4.897 7.878 0.136) 9.277 22.333 ( -3.181 -6.170 0.578) 6.966 22.505 ( 3.999 6.414 0.007) 7.559 22.569 ( -0.302 0.452 -0.479) 0.724 22.895 ( -0.238 -0.143 -0.079) 0.288 ======================= Grid point 735 (286/489) ======================= q-point: (-0.12 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.446 ( 0.009 0.236 2.335) 2.347 7.096 ( -5.655 -5.854 -2.200) 8.431 7.497 ( -4.828 -4.657 6.436) 9.296 7.973 ( -2.817 -2.399 -8.397) 9.176 8.603 ( -13.682 0.658 -7.294) 15.519 8.972 ( -5.260 -8.596 10.574) 14.607 10.491 ( -5.267 -12.537 -7.036) 15.311 11.111 ( -3.482 -8.720 3.251) 9.936 11.902 ( -3.772 4.720 3.085) 6.784 12.660 ( -22.172 -23.190 0.072) 32.084 13.230 ( 1.016 -1.434 1.450) 2.278 15.022 ( -20.028 -17.017 -1.549) 26.327 15.518 ( -16.182 8.380 8.050) 19.922 15.930 ( 13.339 4.084 -12.364) 18.641 17.131 ( 14.654 18.223 3.826) 23.695 20.781 ( -1.458 7.294 0.542) 7.458 21.202 ( 15.352 3.474 -0.289) 15.743 22.200 ( -6.182 -2.157 -0.470) 6.564 22.478 ( 0.283 -7.186 1.782) 7.409 22.706 ( -0.635 9.914 -1.258) 10.014 22.943 ( 9.964 -1.966 0.297) 10.160 ======================= Grid point 746 (287/489) ======================= q-point: ( 0.53 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.940 ( 0.000 7.070 7.663) 10.426 6.432 ( 0.000 19.432 19.448) 27.492 6.752 ( -0.000 4.459 -9.973) 10.924 7.134 ( -0.000 12.523 -14.765) 19.360 8.116 ( 0.000 1.238 8.562) 8.651 8.341 ( -0.000 5.285 -13.393) 14.398 9.736 ( 0.000 -10.559 15.631) 18.863 10.253 ( -0.000 9.433 -0.709) 9.459 10.991 ( -0.000 -3.406 -11.807) 12.288 13.101 ( 0.000 31.520 7.922) 32.500 13.417 ( 0.000 3.910 0.654) 3.964 13.942 ( -0.000 -9.936 -1.758) 10.090 14.255 ( -0.000 33.683 -6.497) 34.304 16.325 ( -0.000 28.845 -6.387) 29.543 18.282 ( 0.000 8.447 1.287) 8.545 21.100 ( 0.000 6.028 2.044) 6.365 21.730 ( -0.000 -1.076 -0.687) 1.277 21.927 ( 0.000 0.828 0.591) 1.017 22.112 ( 0.000 -15.195 5.029) 16.006 23.023 ( -0.000 -6.136 -1.547) 6.328 23.680 ( -0.000 -19.969 -0.815) 19.986 ======================= Grid point 747 (288/489) ======================= q-point: ( 0.59 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.213 ( 20.668 4.110 6.361) 22.012 6.656 ( -2.755 14.759 17.385) 22.970 6.738 ( 3.148 -0.255 -10.577) 11.038 7.258 ( 4.729 9.558 -12.033) 16.078 8.147 ( 0.419 2.381 8.575) 8.909 8.483 ( 10.772 4.670 -11.350) 16.330 9.642 ( -0.096 -10.382 13.635) 17.138 10.527 ( 19.836 7.733 -1.589) 21.350 10.978 ( 4.099 -1.184 -6.346) 7.647 13.312 ( -5.261 18.806 -5.902) 20.400 13.581 ( 12.842 5.118 0.839) 13.850 13.814 ( -1.898 -10.252 -4.218) 11.247 14.559 ( -0.215 25.721 5.551) 26.314 16.519 ( -5.460 21.267 -4.943) 22.507 18.275 ( -8.038 3.489 -0.509) 8.778 21.134 ( -5.139 8.812 0.385) 10.208 21.705 ( -2.530 -5.518 0.272) 6.076 21.911 ( 0.533 -2.754 0.774) 2.910 22.044 ( 5.909 -8.044 4.808) 11.079 22.961 ( -1.878 -1.234 -1.992) 3.003 23.456 ( -3.898 -16.390 -0.562) 16.857 ======================= Grid point 748 (289/489) ======================= q-point: ( 0.65 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.640 ( 18.552 -0.028 0.876) 18.572 6.693 ( 8.693 -1.368 -6.896) 11.180 6.931 ( 6.737 8.730 12.019) 16.312 7.433 ( 7.576 7.778 -5.139) 12.013 8.176 ( -2.248 -1.260 11.226) 11.518 8.710 ( 13.136 3.164 -13.843) 19.344 9.680 ( 11.388 -4.782 13.642) 18.402 10.907 ( 8.588 5.522 -9.807) 14.157 11.216 ( 30.499 -0.006 5.048) 30.914 13.281 ( -11.710 8.102 -15.914) 21.355 13.635 ( -3.386 -7.622 -5.583) 10.037 13.973 ( 24.268 2.293 1.111) 24.402 14.783 ( -0.417 14.576 13.750) 20.042 16.545 ( -10.399 13.675 -4.079) 17.657 18.064 ( -16.390 -1.763 -2.010) 16.606 21.107 ( -8.295 9.286 -0.490) 12.461 21.492 ( -8.747 -12.432 1.740) 15.300 21.978 ( 5.183 2.525 -0.577) 5.794 22.115 ( 7.672 -5.291 4.224) 10.232 22.931 ( -2.029 3.172 -1.794) 4.171 23.222 ( -6.625 -10.579 -0.608) 12.497 ======================= Grid point 749 (290/489) ======================= q-point: (-0.29 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.752 ( -0.091 -4.437 -7.656) 8.849 6.970 ( 21.440 -4.603 -0.813) 21.943 7.165 ( 9.004 7.083 4.803) 12.422 7.675 ( 10.853 8.093 2.838) 13.832 8.102 ( -2.449 -7.327 17.039) 18.709 8.924 ( 11.880 2.023 -18.376) 21.975 10.002 ( 21.952 0.021 16.182) 27.272 11.013 ( 3.525 2.862 -8.143) 9.323 11.884 ( 39.745 -1.406 4.181) 39.989 12.987 ( -16.726 -5.472 -20.073) 26.695 13.515 ( -3.357 -2.507 -5.673) 7.052 14.479 ( 29.952 0.290 1.196) 29.977 14.911 ( 1.568 2.802 15.488) 15.817 16.427 ( -13.076 6.768 -2.838) 14.995 17.668 ( -23.534 -4.342 -3.242) 24.150 21.008 ( -9.163 -0.092 -1.350) 9.262 21.246 ( -9.625 -0.345 1.968) 9.831 22.091 ( 4.691 1.937 -0.627) 5.114 22.223 ( 8.343 -2.952 3.465) 9.504 22.934 ( -0.874 0.918 -1.142) 1.706 23.014 ( -9.365 -0.493 -1.144) 9.447 ======================= Grid point 750 (291/489) ======================= q-point: (-0.24 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.628 ( -4.207 -5.157 -8.602) 10.876 7.160 ( 8.165 -8.265 2.352) 11.854 7.434 ( 12.493 4.668 -7.892) 15.497 7.841 ( -5.173 8.024 11.397) 14.868 8.207 ( 20.862 -11.066 22.093) 32.338 9.072 ( 8.460 0.312 -20.453) 22.135 10.436 ( 20.429 -1.756 19.887) 28.565 11.062 ( 1.417 2.714 -10.761) 11.188 12.411 ( 7.055 -13.452 -3.592) 15.609 12.639 ( 9.474 -7.667 -11.358) 16.660 13.418 ( -4.578 -0.640 -5.496) 7.181 14.962 ( 23.404 -12.914 7.603) 27.790 15.019 ( 11.859 1.643 5.550) 13.196 16.246 ( -10.138 0.418 0.474) 10.157 17.180 ( -26.408 1.109 -4.929) 26.887 20.812 ( -5.882 -6.932 -1.362) 9.193 21.162 ( -9.543 13.447 1.352) 16.545 22.175 ( 5.378 -2.855 0.289) 6.096 22.359 ( 6.754 2.084 2.145) 7.386 22.806 ( -7.237 -4.453 -1.461) 8.622 22.970 ( -4.512 8.921 -0.924) 10.040 ======================= Grid point 751 (292/489) ======================= q-point: (-0.18 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.499 ( -2.849 -3.441 -5.948) 7.439 7.166 ( 1.797 -7.284 2.548) 7.924 7.562 ( 3.292 -2.752 -12.864) 13.561 7.900 ( 1.406 5.467 16.740) 17.666 8.491 ( 16.560 -12.242 16.118) 26.152 9.109 ( 2.067 -4.382 -16.240) 16.947 10.649 ( 2.774 -9.683 15.810) 18.746 11.118 ( 4.124 4.951 -8.742) 10.860 12.055 ( -9.864 -15.229 -11.397) 21.427 12.872 ( 14.067 -17.723 1.241) 22.662 13.308 ( -5.209 -1.354 -4.515) 7.025 15.108 ( 13.228 -14.953 7.515) 21.332 15.319 ( 18.214 -6.991 -3.457) 19.813 16.058 ( -10.616 -7.272 8.312) 15.319 16.902 ( -10.330 19.636 -7.100) 23.295 20.710 ( 0.813 -2.704 -1.120) 3.037 21.160 ( -8.431 16.290 0.806) 18.360 22.217 ( 4.478 -6.688 0.813) 8.089 22.515 ( 6.467 5.147 1.095) 8.338 22.637 ( -7.872 -1.801 -1.614) 8.236 22.970 ( -5.001 7.575 -0.554) 9.094 ======================= Grid point 764 (293/489) ======================= q-point: ( 0.59 0.59 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.060 ( 0.000 1.211 7.083) 7.186 6.650 ( -0.000 -7.227 -13.436) 15.256 6.885 ( 0.000 13.740 22.799) 26.620 7.248 ( -0.000 5.679 -16.285) 17.246 8.167 ( 0.000 -0.244 9.294) 9.297 8.432 ( -0.000 7.234 -9.044) 11.581 9.582 ( 0.000 -9.129 13.112) 15.977 10.382 ( -0.000 3.370 -0.288) 3.382 10.939 ( -0.000 1.908 -5.777) 6.084 13.472 ( -0.000 1.166 0.010) 1.166 13.496 ( -0.000 10.729 -14.096) 17.715 13.717 ( -0.000 -10.923 -9.696) 14.605 14.818 ( 0.000 17.960 15.843) 23.949 16.736 ( -0.000 13.135 -2.381) 13.349 18.363 ( -0.000 0.112 -3.845) 3.847 21.285 ( -0.000 10.108 -0.404) 10.116 21.714 ( -0.000 -0.217 -0.522) 0.565 21.824 ( 0.000 -14.322 6.557) 15.751 21.940 ( 0.000 0.139 0.497) 0.516 22.973 ( -0.000 1.327 -2.111) 2.494 23.347 ( -0.000 -10.620 -0.451) 10.629 ======================= Grid point 765 (294/489) ======================= q-point: (-0.35 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.264 ( 19.653 -1.904 5.522) 20.502 6.524 ( 0.594 -9.771 -13.388) 16.585 7.029 ( -1.120 8.491 17.030) 19.063 7.334 ( 7.782 3.048 -8.719) 12.077 8.195 ( 0.653 -2.286 9.882) 10.164 8.539 ( 7.190 4.469 -9.182) 12.489 9.546 ( 2.266 -3.793 12.485) 13.244 10.612 ( 22.052 0.935 -0.811) 22.087 10.975 ( 2.296 3.056 -2.477) 4.555 13.422 ( -6.636 -6.298 -23.703) 25.408 13.585 ( 0.752 -2.643 -6.982) 7.503 13.626 ( 12.898 -1.232 -1.416) 13.034 14.973 ( -2.233 7.027 20.925) 22.186 16.774 ( -5.382 4.489 -0.244) 7.012 18.255 ( -8.820 -3.338 -6.508) 11.459 21.302 ( -5.649 1.119 -0.802) 5.814 21.570 ( -8.796 -1.693 2.577) 9.321 21.880 ( 8.524 0.380 2.416) 8.867 21.973 ( 3.571 -1.785 1.132) 4.150 22.971 ( -0.898 0.179 -1.957) 2.161 23.256 ( -3.759 0.392 -0.479) 3.810 ======================= Grid point 766 (295/489) ======================= q-point: (-0.29 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.577 ( 13.962 -5.476 -2.746) 15.247 6.521 ( 16.169 -9.320 -5.027) 19.328 7.133 ( 3.239 3.768 7.355) 8.875 7.511 ( 11.182 -0.575 3.120) 11.624 8.153 ( -3.414 -5.631 10.687) 12.553 8.703 ( 9.653 1.815 -13.357) 16.580 9.710 ( 14.599 1.224 14.671) 20.733 10.986 ( 6.195 6.677 -7.984) 12.112 11.186 ( 31.352 -5.575 6.210) 32.444 13.056 ( -10.926 -19.715 -25.863) 34.306 13.549 ( -2.909 2.814 -9.302) 10.144 13.960 ( 25.234 -3.383 0.341) 25.462 14.980 ( -3.379 -4.793 20.655) 21.472 16.646 ( -9.473 -3.557 2.106) 10.336 17.968 ( -16.490 -4.620 -8.035) 18.916 21.104 ( -8.706 -10.347 -0.933) 13.555 21.488 ( -8.310 12.095 1.888) 14.796 22.020 ( 3.823 -2.019 0.446) 4.346 22.064 ( 9.030 2.709 2.697) 9.806 22.926 ( -1.795 -3.306 -2.096) 4.307 23.225 ( -6.893 11.498 -0.409) 13.412 ======================= Grid point 767 (296/489) ======================= q-point: (-0.24 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.591 ( -0.241 -6.604 -10.167) 12.126 6.817 ( 22.102 -9.865 5.033) 24.721 7.267 ( 8.147 1.352 -1.944) 8.484 7.739 ( 18.109 -7.864 11.524) 22.860 8.046 ( -5.239 -3.761 12.837) 14.366 8.833 ( 9.804 -2.695 -18.012) 20.684 10.107 ( 21.564 2.310 18.809) 28.708 11.070 ( -0.111 6.362 -7.704) 9.992 11.762 ( 37.554 -12.279 4.932) 39.817 12.564 ( -11.138 -24.012 -24.971) 36.389 13.489 ( -4.534 2.444 -9.546) 10.847 14.384 ( 27.494 -9.000 2.172) 29.012 14.891 ( 0.909 -13.323 14.891) 20.002 16.405 ( -10.441 -8.992 5.331) 14.775 17.580 ( -20.365 -1.359 -8.669) 22.175 20.856 ( -7.404 -7.688 -1.520) 10.781 21.491 ( -8.772 16.336 1.580) 18.610 22.061 ( 4.002 -3.537 0.452) 5.361 22.257 ( 8.072 3.912 2.251) 9.248 22.838 ( -3.597 -3.292 -2.473) 5.467 23.228 ( -8.710 15.528 -0.194) 17.805 ======================= Grid point 768 (297/489) ======================= q-point: (-0.18 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.483 ( -1.647 -4.452 -9.209) 10.361 7.006 ( 9.356 -9.388 6.813) 14.903 7.396 ( 7.615 -3.556 -9.460) 12.654 7.971 ( 1.751 -7.783 18.488) 20.136 8.033 ( 18.232 -10.203 11.857) 24.023 8.902 ( 8.234 -7.463 -18.991) 22.004 10.507 ( 13.638 -0.533 23.060) 26.796 11.090 ( 0.106 4.613 -11.969) 12.828 11.959 ( -2.816 -25.008 -11.206) 27.549 12.325 ( 22.097 -20.022 -4.133) 30.104 13.391 ( -5.997 0.970 -8.606) 10.534 14.665 ( 18.346 -19.025 7.854) 27.573 14.896 ( 14.555 -15.174 1.337) 21.069 16.169 ( -6.965 -8.668 10.106) 15.026 17.259 ( -14.898 8.057 -9.032) 19.195 20.705 ( -3.057 -2.400 -1.798) 4.282 21.509 ( -9.582 17.933 1.263) 20.371 22.089 ( 3.612 -4.552 0.295) 5.818 22.433 ( 7.167 3.195 1.676) 8.024 22.724 ( -5.621 -2.016 -2.567) 6.500 23.228 ( -9.555 16.140 0.046) 18.757 ======================= Grid point 782 (298/489) ======================= q-point: (-0.35 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.054 ( 0.000 -5.058 6.771) 8.452 6.387 ( -0.000 -11.628 -10.340) 15.561 7.167 ( 0.000 2.595 20.562) 20.725 7.214 ( -0.000 -0.913 -17.470) 17.494 8.193 ( 0.000 -1.819 10.023) 10.187 8.479 ( -0.000 0.190 -6.288) 6.291 9.550 ( 0.000 0.492 11.227) 11.238 10.385 ( -0.000 -3.033 -0.139) 3.037 11.011 ( -0.000 7.107 -1.127) 7.196 13.253 ( -0.000 -23.893 -26.221) 35.474 13.463 ( -0.000 -1.859 -0.479) 1.919 13.610 ( -0.000 5.245 -11.314) 12.471 15.063 ( 0.000 -4.541 23.383) 23.820 16.821 ( 0.000 -5.111 2.871) 5.862 18.268 ( -0.000 -5.537 -9.942) 11.380 21.292 ( -0.000 -11.503 -0.347) 11.509 21.717 ( -0.000 0.667 -0.381) 0.768 21.803 ( 0.000 11.666 5.797) 13.027 21.937 ( 0.000 -0.577 0.363) 0.681 22.964 ( -0.000 -1.482 -2.678) 3.061 23.355 ( -0.000 11.635 -0.029) 11.635 ======================= Grid point 783 (299/489) ======================= q-point: (-0.29 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.186 ( 18.614 -8.179 4.789) 20.888 6.254 ( 2.153 -11.093 -6.708) 13.141 7.127 ( 0.036 -2.502 -0.328) 2.524 7.304 ( 8.797 -5.996 3.920) 11.345 8.159 ( -2.557 -4.974 8.960) 10.563 8.540 ( 7.841 -0.619 -7.950) 11.183 9.610 ( 3.426 3.275 11.362) 12.311 10.551 ( 22.654 -6.665 0.183) 23.615 11.100 ( -0.121 9.962 1.285) 10.046 12.860 ( -4.484 -32.071 -26.803) 42.036 13.558 ( 11.720 -4.377 -1.383) 12.587 13.630 ( 0.354 7.021 -11.478) 13.460 14.982 ( -2.791 -16.884 22.044) 27.907 16.691 ( -4.585 -13.689 5.480) 15.442 18.105 ( -8.086 -6.678 -11.288) 15.408 21.108 ( -5.136 -12.746 -1.228) 13.797 21.705 ( -2.659 6.106 0.481) 6.677 21.940 ( 1.885 -0.333 1.405) 2.374 22.013 ( 4.670 10.586 4.294) 12.341 22.935 ( -1.743 0.319 -3.646) 4.053 23.473 ( -4.034 17.528 0.370) 17.990 ======================= Grid point 784 (300/489) ======================= q-point: (-0.24 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.406 ( 12.045 -9.644 -3.293) 15.777 6.310 ( 19.241 -10.585 2.900) 22.151 7.139 ( 5.226 -4.989 0.875) 7.278 7.393 ( 11.576 -13.041 4.664) 18.051 8.081 ( -2.017 -5.300 8.683) 10.371 8.629 ( 6.320 -3.241 -13.703) 15.435 9.843 ( 15.546 3.761 14.424) 21.538 10.964 ( 30.827 -10.459 -2.015) 32.616 11.207 ( 0.976 9.221 4.678) 10.385 12.346 ( -6.074 -36.429 -25.784) 45.042 13.571 ( -3.173 2.703 -11.472) 12.206 13.875 ( 21.050 -4.010 -0.837) 21.445 14.750 ( -2.569 -26.383 17.729) 31.890 16.430 ( -6.727 -19.350 7.835) 21.933 17.821 ( -13.342 -5.284 -10.638) 17.864 20.891 ( -5.889 -8.491 -2.408) 10.610 21.745 ( -2.416 9.539 0.789) 9.871 21.971 ( 2.770 -1.843 0.399) 3.351 22.208 ( 4.323 9.281 5.027) 11.406 22.890 ( -3.999 2.483 -4.379) 6.429 23.559 ( -7.917 19.741 0.609) 21.278 ======================= Grid point 785 (301/489) ======================= q-point: (-0.18 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.407 ( 2.188 -7.171 -8.002) 10.965 6.626 ( 22.918 -12.399 9.547) 27.751 7.192 ( 8.012 -9.022 0.504) 12.077 7.499 ( 17.168 -16.937 3.901) 24.430 8.019 ( -1.735 -5.640 11.334) 12.778 8.642 ( 6.414 -7.527 -18.191) 20.705 10.251 ( 20.927 1.972 17.808) 27.549 11.145 ( -1.144 -1.206 -10.054) 10.191 11.489 ( 25.454 -12.717 10.666) 30.387 11.850 ( -0.631 -32.658 -22.210) 39.500 13.488 ( -5.559 1.688 -11.795) 13.149 14.168 ( 19.408 -13.158 3.197) 23.665 14.511 ( 6.072 -28.053 8.949) 30.065 16.149 ( -3.812 -18.837 10.220) 21.767 17.524 ( -12.860 -0.357 -9.106) 15.761 20.735 ( -3.778 -3.483 -3.064) 5.983 21.802 ( -4.014 11.718 0.929) 12.421 21.997 ( 2.600 -2.546 0.033) 3.639 22.374 ( 4.260 6.244 4.344) 8.718 22.823 ( -6.246 4.256 -4.535) 8.815 23.599 ( -10.666 20.334 0.748) 22.973 ======================= Grid point 800 (302/489) ======================= q-point: (-0.29 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.914 ( 0.000 -11.730 6.175) 13.256 6.123 ( -0.000 -10.881 -1.351) 10.964 7.060 ( -0.000 -5.806 -17.472) 18.411 7.142 ( 0.000 -13.956 15.455) 20.824 8.180 ( 0.000 -4.499 10.621) 11.535 8.411 ( -0.000 -1.811 -9.471) 9.643 9.646 ( 0.000 1.941 9.443) 9.641 10.259 ( -0.000 -9.085 -0.347) 9.092 11.238 ( 0.000 14.536 4.333) 15.168 12.460 ( -0.000 -40.941 -25.708) 48.344 13.396 ( -0.000 -4.304 -0.549) 4.338 13.687 ( -0.000 7.975 -14.224) 16.307 14.825 ( 0.000 -28.654 20.567) 35.271 16.560 ( 0.000 -22.584 7.492) 23.795 18.069 ( -0.000 -8.393 -12.026) 14.665 21.017 ( -0.000 -12.384 -2.516) 12.637 21.736 ( -0.000 1.383 -0.374) 1.433 21.921 ( 0.000 -1.172 0.240) 1.196 22.151 ( 0.000 16.653 7.811) 18.394 22.971 ( -0.000 5.245 -5.005) 7.250 23.710 ( 0.000 21.027 0.807) 21.043 ======================= Grid point 801 (303/489) ======================= q-point: (-0.24 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.975 ( 18.455 -14.702 4.160) 23.959 6.035 ( 2.997 -9.564 3.719) 10.691 6.971 ( 3.087 -12.887 -1.254) 13.311 7.075 ( 8.120 -16.031 -0.706) 17.984 8.100 ( -3.781 -4.819 8.997) 10.884 8.451 ( 6.355 -3.083 -12.842) 14.657 9.709 ( 5.691 -0.016 9.722) 11.265 10.351 ( 21.044 -12.948 0.474) 24.713 11.383 ( -2.642 13.597 4.479) 14.558 11.940 ( -1.861 -43.610 -21.986) 48.874 13.445 ( 9.852 -6.074 -1.073) 11.623 13.724 ( -0.214 7.261 -14.241) 15.987 14.511 ( -1.979 -36.853 17.444) 40.821 16.288 ( -2.727 -28.273 8.660) 29.695 17.896 ( -6.208 -8.582 -10.458) 14.885 20.870 ( -2.714 -9.057 -3.929) 10.239 21.776 ( 2.545 2.129 -0.333) 3.334 21.923 ( 1.595 -1.146 0.085) 1.966 22.327 ( -0.458 14.026 8.167) 16.237 23.008 ( -3.303 9.687 -5.489) 11.614 23.891 ( -4.791 22.224 0.997) 22.756 ======================= Grid point 802 (304/489) ======================= q-point: (-0.18 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.153 ( 15.113 -14.547 -1.543) 21.033 6.126 ( 17.866 -10.558 10.281) 23.159 6.889 ( 8.235 -23.531 7.648) 26.077 7.110 ( 11.739 -10.536 -8.313) 17.830 8.019 ( -2.494 -5.719 10.979) 12.628 8.443 ( 3.207 -6.900 -19.595) 21.020 9.934 ( 17.735 -2.463 11.175) 21.106 10.650 ( 27.751 -19.263 0.626) 33.787 11.246 ( -0.995 -34.386 -15.493) 37.729 11.629 ( -3.466 2.914 1.904) 4.912 13.508 ( 2.314 -4.442 -8.469) 9.839 13.797 ( 9.294 -4.317 -4.651) 11.254 14.141 ( 1.101 -36.909 11.670) 38.725 15.978 ( -1.233 -27.118 9.475) 28.752 17.657 ( -8.575 -6.621 -7.865) 13.388 20.739 ( -2.474 -5.013 -4.798) 7.367 21.857 ( 3.613 2.418 -0.268) 4.356 21.947 ( 1.999 -0.927 -0.191) 2.212 22.453 ( -1.008 9.815 6.882) 12.030 23.022 ( -7.059 13.375 -4.840) 15.880 23.997 ( -9.022 22.195 1.064) 23.983 ======================= Grid point 818 (305/489) ======================= q-point: (-0.24 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.631 ( 0.000 -18.815 5.099) 19.494 5.939 ( 0.000 -10.169 11.365) 15.250 6.764 ( 0.000 -27.055 8.346) 28.313 6.826 ( -0.000 -9.140 -16.201) 18.601 8.107 ( 0.000 -7.587 11.241) 13.562 8.336 ( -0.000 0.133 -17.435) 17.435 9.655 ( 0.000 -6.210 8.431) 10.471 10.018 ( -0.000 -14.127 -0.909) 14.156 11.306 ( -0.000 -45.634 -18.224) 49.138 11.695 ( 0.000 10.709 6.358) 12.454 13.291 ( -0.000 -5.622 -0.179) 5.624 13.757 ( -0.000 2.961 -15.868) 16.142 14.162 ( 0.000 -41.125 15.068) 43.798 16.014 ( 0.000 -32.409 8.703) 33.557 17.827 ( -0.000 -10.694 -8.473) 13.643 20.793 ( -0.000 -7.783 -5.391) 9.468 21.767 ( -0.000 1.769 -0.530) 1.847 21.894 ( 0.000 -1.488 0.176) 1.498 22.486 ( 0.000 11.335 7.635) 13.667 23.160 ( -0.000 15.934 -4.641) 16.596 24.168 ( 0.000 22.807 1.117) 22.834 ======================= Grid point 819 (306/489) ======================= q-point: (-0.18 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.622 ( 19.308 -21.949 3.352) 29.424 5.876 ( 3.697 -12.964 15.671) 20.671 6.523 ( 3.503 -27.370 3.767) 27.849 6.790 ( 9.953 -10.108 -11.568) 18.305 8.029 ( -2.272 -7.815 12.053) 14.543 8.300 ( 1.003 -3.134 -23.425) 23.655 9.645 ( 8.813 -12.793 6.997) 17.037 10.039 ( 18.647 -17.579 0.374) 25.630 10.730 ( 0.270 -52.526 -15.509) 54.769 11.837 ( -3.264 14.018 8.391) 16.661 13.307 ( 7.538 -6.956 -1.070) 10.313 13.639 ( -0.286 -25.488 1.319) 25.524 13.829 ( -0.856 -19.689 -3.236) 19.971 15.719 ( 0.258 -27.398 8.425) 28.665 17.658 ( -3.848 -11.301 -5.698) 13.229 20.702 ( -0.935 -5.187 -6.243) 8.170 21.811 ( 2.871 1.600 -0.608) 3.343 21.896 ( 1.830 -1.464 0.078) 2.345 22.584 ( -1.386 7.426 5.376) 9.272 23.295 ( -4.772 20.003 -2.715) 20.743 24.354 ( -5.165 22.244 1.118) 22.863 ======================= Grid point 836 (307/489) ======================= q-point: (-0.18 -0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.194 ( 0.000 -26.289 3.951) 26.585 5.681 ( 0.000 -29.642 19.962) 35.737 6.286 ( 0.000 -15.433 4.162) 15.985 6.540 ( -0.000 -12.115 -13.853) 18.403 7.987 ( 0.000 -9.187 11.539) 14.749 8.216 ( -0.000 -2.533 -27.867) 27.982 9.355 ( 0.000 -34.661 2.649) 34.762 9.687 ( -0.000 -17.475 -1.690) 17.556 10.195 ( -0.000 -42.427 -4.217) 42.637 11.974 ( 0.000 0.994 5.401) 5.492 13.174 ( 0.000 -5.845 0.403) 5.859 13.322 ( 0.000 -33.445 15.231) 36.750 13.665 ( -0.000 -15.695 -17.360) 23.403 15.502 ( 0.000 -16.061 6.876) 17.471 17.547 ( -0.000 -14.363 -3.206) 14.716 20.647 ( -0.000 -3.730 -6.821) 7.775 21.798 ( -0.000 1.340 -0.813) 1.567 21.867 ( 0.000 -1.016 0.220) 1.039 22.665 ( 0.000 4.115 3.040) 5.117 23.558 ( -0.000 23.177 -0.529) 23.183 24.625 ( 0.000 21.196 1.053) 21.223 ======================= Grid point 927 (308/489) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 0.000 0.000 57.721) 57.721 1.248 ( 0.000 0.000 57.721) 57.721 2.357 ( 0.000 0.000 110.128) 110.128 4.771 ( -0.000 -0.000 -23.264) 23.264 4.771 ( -0.000 -0.000 -23.264) 23.264 7.650 ( 0.000 0.000 10.411) 10.411 7.650 ( 0.000 0.000 10.411) 10.411 8.472 ( -0.000 -0.000 -4.278) 4.278 8.472 ( -0.000 -0.000 -4.278) 4.278 9.667 ( -0.000 -0.000 -60.986) 60.986 11.195 ( 0.000 0.000 5.334) 5.334 12.792 ( -0.000 0.000 -0.297) 0.297 12.792 ( -0.000 -0.000 -0.297) 0.297 14.837 ( 0.000 0.000 24.270) 24.270 17.826 ( -0.000 -0.000 -4.434) 4.434 21.726 ( -0.000 -0.000 -0.489) 0.489 21.726 ( -0.000 -0.000 -0.489) 0.489 21.958 ( 0.000 0.000 0.193) 0.193 21.958 ( 0.000 0.000 0.193) 0.193 25.352 ( 0.000 0.000 1.573) 1.573 25.717 ( -0.000 -0.000 -1.486) 1.486 ======================= Grid point 928 (309/489) ======================= q-point: ( 0.24 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 26.585 15.349 46.450) 55.677 1.877 ( 36.301 20.958 41.640) 59.084 3.315 ( 53.296 30.770 83.797) 103.967 4.798 ( 8.052 4.649 -25.555) 27.194 5.063 ( 26.217 15.136 -28.203) 41.375 7.691 ( -0.605 -0.349 12.118) 12.138 7.763 ( 5.375 3.103 12.436) 13.899 8.476 ( 2.134 1.232 -5.801) 6.303 8.642 ( 14.242 8.223 -4.759) 17.120 9.540 ( 9.553 5.515 -47.552) 48.815 10.892 ( -10.427 -6.020 21.939) 25.026 12.821 ( 2.154 1.243 -0.106) 2.489 13.524 ( 28.371 16.380 -41.899) 53.186 15.143 ( 22.566 13.028 10.706) 28.170 17.253 ( -35.529 -20.513 7.449) 41.696 21.590 ( -12.306 -7.105 12.017) 18.609 21.726 ( 0.321 0.185 -0.512) 0.632 21.949 ( -0.702 -0.405 0.122) 0.819 22.112 ( 12.824 7.404 5.359) 15.747 25.264 ( -8.996 -5.194 3.008) 10.814 25.614 ( -5.297 -3.058 -4.598) 7.652 ======================= Grid point 929 (310/489) ======================= q-point: ( 0.29 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( 32.469 18.746 35.272) 51.476 2.914 ( 43.570 25.155 24.832) 56.105 4.918 ( 63.785 36.827 58.043) 93.775 4.999 ( 13.439 7.759 -26.306) 30.542 5.729 ( 33.757 19.490 -34.336) 51.945 7.675 ( -1.562 -0.902 19.796) 19.878 7.941 ( 6.511 3.759 13.693) 15.621 8.566 ( 7.472 4.314 -7.251) 11.270 9.076 ( 23.365 13.490 -7.353) 27.964 9.960 ( 30.032 17.339 -32.434) 47.482 10.863 ( 5.492 3.171 7.969) 10.185 12.890 ( 3.560 2.055 0.106) 4.112 13.716 ( -0.306 -0.177 -21.883) 21.886 15.820 ( 31.391 18.124 -6.604) 36.844 16.473 ( -30.856 -17.815 1.825) 35.676 21.349 ( -10.991 -6.346 23.051) 26.314 21.739 ( 0.879 0.508 -0.288) 1.055 21.926 ( -1.262 -0.728 -0.020) 1.457 22.418 ( 10.859 6.269 4.482) 13.316 24.955 ( -16.649 -9.612 1.113) 19.257 25.471 ( -6.553 -3.783 -6.335) 9.869 ======================= Grid point 930 (311/489) ======================= q-point: ( 0.35 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.403 ( 31.418 18.139 28.326) 46.027 3.998 ( 44.480 25.680 11.685) 52.673 5.272 ( 14.366 8.294 -24.797) 29.834 6.230 ( 30.170 17.419 -11.781) 36.775 6.475 ( 36.303 20.960 12.709) 43.804 7.897 ( 21.552 12.443 32.299) 40.774 8.109 ( 5.241 3.026 10.674) 12.270 8.809 ( 14.312 8.263 -5.556) 17.435 9.678 ( 26.864 15.510 -0.972) 31.035 10.548 ( 23.138 13.359 -13.434) 29.905 11.297 ( 32.242 18.615 -21.040) 42.764 12.985 ( 4.436 2.561 0.322) 5.132 13.580 ( -5.532 -3.194 -6.145) 8.864 15.818 ( -24.331 -14.048 -5.847) 28.697 16.512 ( 28.158 16.257 -5.737) 33.016 21.184 ( -8.053 -4.649 24.995) 26.669 21.765 ( 1.222 0.705 0.068) 1.412 21.892 ( -1.510 -0.872 -0.177) 1.752 22.620 ( 5.603 3.235 2.598) 6.972 24.521 ( -19.761 -11.409 -1.473) 22.866 25.257 ( -10.570 -6.103 -5.114) 13.234 ======================= Grid point 931 (312/489) ======================= q-point: ( 0.41 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.158 ( 27.320 15.773 22.057) 38.492 5.036 ( 42.256 24.397 0.823) 48.800 5.542 ( 13.022 7.518 -19.782) 24.848 6.600 ( 11.919 6.881 -36.172) 38.702 7.039 ( 8.856 5.113 32.110) 33.699 8.244 ( 4.757 2.747 5.032) 7.449 8.907 ( 49.416 28.531 34.047) 66.447 9.183 ( 17.557 10.136 -2.466) 20.422 10.200 ( 15.726 9.079 12.630) 22.119 11.131 ( 27.856 16.083 -15.892) 35.877 12.012 ( 30.988 17.891 -37.637) 51.932 13.096 ( 4.901 2.829 0.524) 5.683 13.592 ( 9.148 5.282 10.799) 15.106 15.326 ( -14.681 -8.476 -11.544) 20.509 17.100 ( 22.418 12.943 -0.939) 25.903 21.079 ( -5.640 -3.257 21.518) 22.483 21.788 ( 0.348 0.201 0.274) 0.487 21.864 ( -0.498 -0.287 -0.176) 0.601 22.699 ( 0.992 0.573 0.272) 1.177 24.039 ( -20.687 -11.944 -1.778) 23.953 24.951 ( -14.516 -8.381 -3.726) 17.171 ======================= Grid point 932 (313/489) ======================= q-point: ( 0.47 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.770 ( 20.834 12.028 12.590) 27.152 5.800 ( 12.308 7.106 -9.384) 17.031 5.966 ( 36.951 21.334 -8.582) 43.522 6.711 ( 4.146 2.394 -18.929) 19.525 7.247 ( 5.711 3.297 20.884) 21.901 8.353 ( 3.882 2.241 0.106) 4.483 9.592 ( 17.007 9.819 -0.608) 19.647 9.979 ( 28.224 16.295 24.143) 40.559 10.631 ( 23.283 13.442 13.240) 29.968 11.435 ( 0.383 0.221 -13.585) 13.592 12.779 ( 44.037 25.424 -30.989) 59.548 13.215 ( 4.960 2.864 0.672) 5.767 13.933 ( 9.006 5.199 18.860) 21.537 15.197 ( 10.299 5.946 -16.945) 20.702 17.559 ( 16.418 9.479 3.902) 19.355 21.018 ( -3.124 -1.804 14.873) 15.304 21.772 ( -1.429 -0.825 0.024) 1.650 21.879 ( 1.401 0.809 0.191) 1.629 22.683 ( -1.735 -1.001 -2.217) 2.987 23.552 ( -20.374 -11.763 0.257) 23.527 24.564 ( -17.595 -10.159 -2.595) 20.482 ======================= Grid point 933 (314/489) ======================= q-point: ( 0.53 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.178 ( 12.650 7.304 -1.057) 14.645 6.089 ( 12.584 7.265 5.801) 15.646 6.573 ( 6.834 3.946 -1.515) 8.036 6.860 ( 20.825 12.023 -21.874) 32.507 7.461 ( 9.774 5.643 15.997) 19.577 8.420 ( 2.092 1.208 -3.262) 4.059 9.958 ( 13.851 7.997 0.110) 15.995 10.356 ( 6.027 3.480 17.745) 19.061 10.916 ( -7.935 -4.581 -27.740) 29.214 11.694 ( 27.363 15.798 29.061) 42.929 13.328 ( 4.383 2.531 0.723) 5.113 13.634 ( 16.135 9.315 -3.147) 18.895 14.125 ( 22.492 12.986 -6.669) 26.814 15.678 ( 27.524 15.891 -11.127) 33.674 17.893 ( 10.865 6.273 7.655) 14.697 21.012 ( 0.675 0.390 7.603) 7.643 21.736 ( -1.422 -0.821 0.022) 1.642 21.915 ( 1.456 0.841 0.184) 1.691 22.617 ( -3.311 -1.911 -6.435) 7.485 23.098 ( -18.028 -10.408 5.033) 21.417 24.124 ( -19.128 -11.043 -1.679) 22.151 ======================= Grid point 934 (315/489) ======================= q-point: ( 0.59 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.372 ( 5.517 3.185 -10.944) 12.663 6.396 ( 10.577 6.107 16.988) 20.923 6.540 ( -5.058 -2.920 5.655) 8.129 7.288 ( 15.678 9.051 -25.097) 30.944 7.816 ( 16.854 9.731 11.624) 22.668 8.439 ( 0.488 0.282 -5.189) 5.220 10.229 ( 8.984 5.187 0.225) 10.376 10.423 ( -7.323 -4.228 -0.555) 8.474 10.608 ( -4.342 -2.507 -9.662) 10.885 12.381 ( 21.551 12.442 27.678) 37.220 13.417 ( 2.953 1.705 0.652) 3.471 13.586 ( -9.038 -5.218 11.381) 15.442 14.921 ( 35.632 20.572 -22.962) 47.118 16.252 ( 21.271 12.281 -3.160) 24.765 18.098 ( 4.517 2.608 9.497) 10.835 21.102 ( 6.267 3.618 1.961) 7.498 21.709 ( -0.872 -0.503 0.189) 1.024 21.943 ( 0.909 0.525 -0.079) 1.052 22.422 ( -13.109 -7.569 -10.047) 18.168 22.829 ( -4.223 -2.438 8.649) 9.929 23.680 ( -17.819 -10.288 -0.736) 20.589 ======================= Grid point 935 (316/489) ======================= q-point: ( 0.65 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.401 ( -0.344 -0.199 -14.515) 14.520 6.417 ( -6.084 -3.513 4.615) 8.405 6.638 ( 5.799 3.348 21.473) 22.493 7.497 ( 7.157 4.132 -16.695) 18.629 8.196 ( 11.574 6.683 4.427) 14.079 8.427 ( -0.260 -0.150 -6.323) 6.330 10.102 ( -11.199 -6.466 -20.478) 24.219 10.374 ( 3.196 1.845 0.190) 3.695 10.684 ( 5.689 3.285 11.926) 13.615 12.772 ( 5.459 3.152 24.986) 25.769 13.411 ( -6.888 -3.977 9.940) 12.731 13.463 ( 0.791 0.456 0.478) 1.030 15.496 ( 16.329 9.428 -23.816) 30.376 16.646 ( 12.141 7.009 4.143) 14.618 18.139 ( -2.782 -1.606 9.330) 9.867 21.295 ( 8.189 4.728 -0.745) 9.485 21.698 ( -0.136 -0.079 0.417) 0.445 21.955 ( 0.152 0.088 -0.395) 0.432 22.054 ( -13.141 -7.587 -7.318) 16.846 22.868 ( 3.627 2.094 4.278) 5.987 23.331 ( -10.009 -5.779 0.529) 11.570 ======================= Grid point 936 (317/489) ======================= q-point: (-0.29 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.291 ( -6.059 -3.498 -14.577) 16.169 6.286 ( -5.405 -3.121 0.110) 6.242 6.763 ( 0.493 0.285 22.425) 22.432 7.547 ( -0.579 -0.335 -13.502) 13.518 8.317 ( -2.239 -1.293 7.299) 7.743 8.396 ( -1.072 -0.619 -7.585) 7.686 9.888 ( -2.951 -1.704 -18.705) 19.013 10.379 ( -2.745 -1.585 0.327) 3.187 10.906 ( 11.263 6.503 9.283) 15.979 12.696 ( -16.820 -9.711 21.992) 29.341 13.372 ( 1.957 1.130 9.308) 9.578 13.454 ( -1.609 -0.929 0.243) 1.873 15.543 ( -7.805 -4.506 -19.829) 21.781 16.811 ( -0.310 -0.179 5.350) 5.362 18.043 ( -6.229 -3.596 8.399) 11.057 21.290 ( -10.040 -5.797 -0.400) 11.600 21.705 ( 0.604 0.349 0.621) 0.934 21.949 ( -0.585 -0.338 -0.589) 0.897 21.982 ( 10.187 5.881 -9.408) 15.063 22.883 ( -3.040 -1.755 4.396) 5.626 23.345 ( 10.984 6.342 0.816) 12.710 ======================= Grid point 937 (318/489) ======================= q-point: (-0.24 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.049 ( -11.779 -6.800 -12.544) 18.502 6.165 ( -4.294 -2.479 -6.673) 8.314 6.775 ( -3.660 -2.113 21.632) 22.041 7.348 ( -14.723 -8.500 -13.321) 21.598 8.226 ( -5.191 -2.997 16.044) 17.127 8.328 ( -3.280 -1.894 -9.578) 10.300 9.825 ( -0.719 -0.415 -14.688) 14.711 10.251 ( -8.126 -4.692 0.770) 9.415 11.252 ( 16.267 9.392 2.728) 18.980 12.143 ( -32.878 -18.982 18.102) 42.059 13.392 ( -3.614 -2.086 -0.004) 4.173 13.500 ( 5.964 3.443 10.885) 12.880 15.072 ( -27.709 -15.998 -13.951) 34.904 16.613 ( -17.260 -9.965 1.195) 19.966 17.916 ( -6.190 -3.574 8.017) 10.741 21.000 ( -12.017 -6.938 -0.232) 13.878 21.728 ( 1.199 0.692 0.741) 1.571 21.927 ( -1.125 -0.649 -0.569) 1.418 22.292 ( 14.844 8.570 -11.511) 20.647 22.882 ( 3.616 2.088 7.499) 8.583 23.715 ( 18.604 10.741 0.080) 21.482 ======================= Grid point 938 (319/489) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.681 ( -17.345 -10.014 -8.911) 21.922 6.036 ( -5.476 -3.162 -15.725) 16.948 6.700 ( -6.802 -3.927 19.184) 20.730 6.820 ( -25.976 -14.997 -7.587) 30.939 8.189 ( -6.409 -3.700 -11.644) 13.796 8.195 ( -1.748 -1.009 22.283) 22.374 9.725 ( -6.277 -3.624 -11.241) 13.375 10.010 ( -12.390 -7.153 1.365) 14.372 11.195 ( -41.706 -24.079 12.417) 49.733 11.723 ( 14.298 8.255 -1.219) 16.555 13.291 ( -4.778 -2.759 -0.226) 5.522 13.654 ( 2.808 1.621 12.876) 13.278 14.253 ( -37.124 -21.434 -10.598) 44.158 16.058 ( -27.295 -15.759 -3.501) 31.711 17.772 ( -8.058 -4.652 6.670) 11.448 20.767 ( -7.772 -4.487 1.884) 9.170 21.762 ( 1.517 0.876 0.770) 1.914 21.896 ( -1.340 -0.774 -0.376) 1.593 22.543 ( 8.278 4.779 -8.289) 12.653 23.125 ( 15.169 8.758 5.196) 18.270 24.174 ( 19.867 11.470 -0.454) 22.945 ======================= Grid point 945 (320/489) ======================= q-point: ( 0.24 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 0.000 25.113 46.734) 53.055 2.033 ( 0.000 39.023 46.236) 60.502 3.536 ( 0.000 60.342 85.205) 104.408 4.809 ( -0.000 13.696 -25.847) 29.251 4.903 ( -0.000 22.843 -30.419) 38.041 7.690 ( 0.000 0.658 10.836) 10.856 7.839 ( 0.000 7.875 13.312) 15.467 8.505 ( -0.000 4.880 -4.591) 6.700 8.589 ( -0.000 13.205 -8.902) 15.925 9.428 ( -0.000 14.439 -50.677) 52.694 10.946 ( 0.000 -11.999 19.714) 23.079 12.806 ( -0.000 1.790 -0.344) 1.823 13.428 ( -0.000 31.482 -35.430) 47.397 15.171 ( 0.000 22.549 13.600) 26.333 17.273 ( 0.000 -39.543 4.223) 39.768 21.608 ( 0.000 -12.200 9.453) 15.433 21.735 ( -0.000 0.844 -0.381) 0.926 21.953 ( 0.000 -0.680 0.176) 0.702 22.127 ( 0.000 15.381 4.962) 16.162 25.264 ( 0.000 -11.107 3.452) 11.631 25.604 ( -0.000 -6.579 -4.591) 8.022 ======================= Grid point 946 (321/489) ======================= q-point: ( 0.29 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 23.758 27.649 37.152) 52.050 2.731 ( 20.679 39.069 34.769) 56.239 4.702 ( 32.567 63.584 65.544) 96.952 4.918 ( 3.780 18.400 -26.132) 32.183 5.338 ( 24.518 23.948 -33.456) 47.895 7.728 ( -0.242 -0.278 13.284) 13.289 7.975 ( 2.116 10.645 15.606) 19.009 8.559 ( 0.675 9.295 -8.475) 12.597 8.834 ( 15.395 12.575 -11.499) 22.964 9.715 ( 16.053 33.588 -37.368) 52.747 10.878 ( -1.321 -1.520 12.581) 12.741 12.860 ( 2.945 2.892 -0.125) 4.129 13.634 ( 4.219 6.289 -24.841) 25.970 15.612 ( 16.797 27.812 0.516) 32.495 16.691 ( -19.648 -31.945 0.985) 37.517 21.457 ( -5.684 -11.001 18.299) 22.095 21.744 ( 0.022 1.448 -0.245) 1.468 21.938 ( -0.709 -0.795 0.064) 1.067 22.363 ( 6.534 12.433 5.012) 14.913 25.050 ( -8.578 -16.623 2.499) 18.872 25.495 ( -3.422 -5.704 -6.440) 9.258 ======================= Grid point 947 (322/489) ======================= q-point: ( 0.35 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.229 ( 26.488 29.237 30.207) 49.687 3.650 ( 32.157 34.779 19.590) 51.258 5.133 ( 7.767 16.661 -26.667) 32.389 5.861 ( 27.539 18.693 -16.994) 37.372 6.200 ( 37.237 50.328 29.059) 69.021 7.817 ( 7.491 6.003 22.897) 24.827 8.169 ( 0.666 12.122 14.589) 18.979 8.724 ( 7.839 14.388 -8.499) 18.458 9.340 ( 27.213 16.560 -9.040) 33.114 10.341 ( 19.509 29.738 -19.371) 40.499 11.024 ( 13.980 14.144 -8.818) 21.755 12.957 ( 3.589 4.638 0.076) 5.865 13.597 ( -2.673 -3.715 -10.088) 11.078 16.035 ( -20.919 -23.142 -3.846) 31.432 16.241 ( 22.472 24.730 -5.583) 33.878 21.301 ( -6.145 -8.411 22.941) 25.196 21.767 ( 0.496 2.132 0.075) 2.190 21.913 ( -1.314 -0.506 -0.084) 1.410 22.577 ( 5.077 6.323 3.742) 8.931 24.670 ( -14.039 -17.903 -0.600) 22.759 25.324 ( -6.815 -7.947 -5.609) 11.876 ======================= Grid point 948 (323/489) ======================= q-point: ( 0.41 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.035 ( 22.510 30.351 24.766) 45.180 4.620 ( 36.132 29.969 6.367) 47.373 5.375 ( 9.523 11.874 -22.550) 27.206 6.343 ( 18.790 11.804 -34.548) 41.061 7.065 ( 8.786 18.270 29.775) 36.021 8.296 ( -1.360 10.013 8.142) 12.977 8.493 ( 40.423 30.996 35.229) 61.934 9.075 ( 12.527 19.618 -3.467) 23.533 9.991 ( 24.630 14.273 4.388) 28.803 10.856 ( 18.852 21.936 -11.884) 31.270 11.596 ( 28.083 22.074 -34.125) 49.401 13.076 ( 3.409 6.254 0.289) 7.129 13.543 ( 2.983 1.688 4.422) 5.594 15.478 ( -17.496 -14.929 -9.641) 24.939 16.850 ( 21.998 17.882 -2.135) 28.430 21.177 ( -5.276 -6.718 21.846) 23.456 21.800 ( 0.217 2.591 0.418) 2.634 21.885 ( -1.471 0.352 -0.161) 1.521 22.681 ( 1.836 1.265 1.465) 2.668 24.213 ( -16.461 -17.469 -1.998) 24.085 25.063 ( -10.611 -10.932 -4.158) 15.792 ======================= Grid point 949 (324/489) ======================= q-point: ( 0.47 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.731 ( 14.935 30.728 16.592) 37.981 5.510 ( 29.696 16.725 -5.750) 34.564 5.632 ( 17.278 13.979 -11.882) 25.202 6.630 ( 9.352 12.092 -30.646) 34.247 7.288 ( 0.873 5.557 28.155) 28.712 8.384 ( -0.657 8.656 2.831) 9.131 9.476 ( 13.730 19.199 2.649) 23.751 9.704 ( 38.111 33.536 26.339) 57.192 10.448 ( 14.778 9.513 12.703) 21.686 11.334 ( 10.999 7.912 -13.736) 19.294 12.240 ( 35.654 24.793 -37.735) 57.531 13.205 ( 3.074 7.739 0.836) 8.369 13.833 ( 15.191 10.497 17.478) 25.425 15.126 ( -4.633 -3.903 -15.892) 17.007 17.356 ( 18.450 11.291 2.040) 21.727 21.079 ( -3.831 -5.576 16.590) 17.916 21.810 ( -2.001 1.768 0.278) 2.685 21.885 ( 0.069 2.415 0.199) 2.424 22.684 ( -0.729 -2.015 -1.041) 2.382 23.740 ( -17.084 -16.324 -0.924) 23.647 24.713 ( -13.853 -13.470 -2.901) 19.539 ======================= Grid point 950 (325/489) ======================= q-point: ( 0.53 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.228 ( 4.131 28.610 0.119) 28.907 5.842 ( 16.213 -1.169 6.439) 17.484 6.345 ( 28.794 20.655 -12.954) 37.730 6.794 ( 2.360 13.103 -20.241) 24.227 7.439 ( 4.090 6.184 23.444) 24.588 8.458 ( -1.143 8.211 -1.404) 8.408 9.858 ( 9.822 14.830 2.435) 17.953 10.420 ( 6.374 19.290 14.592) 25.013 10.857 ( 9.381 3.896 -13.496) 16.892 11.471 ( 16.031 7.076 17.911) 25.057 13.199 ( 43.245 27.531 -25.481) 57.248 13.343 ( 2.655 9.604 1.407) 10.063 14.066 ( -0.583 0.620 15.049) 15.073 15.319 ( 24.361 12.498 -15.178) 31.305 17.739 ( 14.430 5.418 5.782) 16.462 21.014 ( -1.038 -4.327 9.661) 10.636 21.782 ( -2.908 1.808 0.145) 3.427 21.920 ( 0.269 2.805 0.363) 2.842 22.624 ( -2.038 -3.327 -4.212) 5.741 23.286 ( -16.357 -14.473 2.436) 21.976 24.296 ( -16.010 -14.996 -1.920) 22.020 ======================= Grid point 951 (326/489) ======================= q-point: ( 0.59 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.467 ( -3.124 21.566 -12.946) 25.346 6.130 ( 14.180 -4.259 20.621) 25.386 6.784 ( -1.455 15.495 0.795) 15.583 7.023 ( 18.017 13.287 -27.476) 35.441 7.702 ( 11.025 10.279 17.233) 22.895 8.496 ( -3.081 7.857 -4.632) 9.628 10.113 ( 5.773 4.668 3.282) 8.118 10.638 ( -1.316 11.063 3.297) 11.619 10.685 ( -13.081 4.281 -18.099) 22.738 12.129 ( 27.859 11.509 30.740) 43.053 13.459 ( 0.209 9.000 2.011) 9.224 13.721 ( -4.902 0.707 8.043) 9.445 14.424 ( 36.355 20.986 -20.767) 46.833 15.919 ( 27.865 10.876 -6.082) 30.524 18.001 ( 9.984 0.116 8.197) 12.918 21.017 ( 4.148 -2.450 3.684) 6.065 21.749 ( -2.903 1.539 0.215) 3.293 21.945 ( -0.064 1.601 -0.031) 1.602 22.508 ( -6.396 -4.780 -9.276) 12.239 22.923 ( -10.100 -9.036 7.860) 15.666 23.851 ( -16.270 -14.824 -1.052) 22.036 ======================= Grid point 952 (327/489) ======================= q-point: ( 0.65 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.528 ( -6.851 15.051 -15.047) 22.358 6.297 ( 5.107 -6.439 19.084) 20.779 6.868 ( -5.640 15.741 7.688) 18.404 7.351 ( 11.646 8.577 -20.523) 25.108 8.076 ( 13.461 10.981 8.202) 19.211 8.485 ( -4.783 6.026 -6.981) 10.388 10.087 ( -5.248 -8.444 -11.318) 15.065 10.522 ( -4.127 9.970 -4.885) 11.845 10.778 ( -5.194 17.737 7.109) 19.801 12.668 ( 15.977 2.773 27.684) 32.084 13.489 ( -4.647 -2.418 8.940) 10.361 13.616 ( -8.427 10.547 3.021) 13.834 15.160 ( 27.700 13.693 -24.884) 39.674 16.421 ( 20.519 4.453 1.725) 21.067 18.117 ( 3.633 -5.337 8.962) 11.045 21.139 ( 10.499 -0.456 0.184) 10.510 21.702 ( -2.555 -2.433 0.182) 3.533 21.950 ( -0.248 0.379 -1.204) 1.287 22.238 ( -13.883 -4.249 -7.360) 16.278 22.837 ( 2.094 -0.304 5.929) 6.295 23.446 ( -12.860 -12.111 0.033) 17.665 ======================= Grid point 953 (328/489) ======================= q-point: (-0.29 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.469 ( -10.817 10.580 -13.591) 20.339 6.290 ( -2.820 -3.990 10.926) 11.969 6.941 ( -5.019 10.953 13.028) 17.745 7.514 ( 3.173 5.615 -14.367) 15.748 8.351 ( 2.262 5.862 5.937) 8.645 8.421 ( -2.684 2.024 -9.298) 9.887 9.876 ( -5.237 -2.486 -16.398) 17.392 10.586 ( -5.675 14.652 1.483) 15.783 10.880 ( -0.542 11.695 6.337) 13.313 12.834 ( -2.871 -8.909 26.181) 27.804 13.389 ( -2.167 -2.189 9.592) 10.074 13.611 ( -8.620 13.023 0.452) 15.624 15.478 ( 6.229 -0.215 -23.442) 24.256 16.727 ( 10.355 -1.287 5.019) 11.579 18.071 ( -1.840 -9.350 8.937) 13.064 21.292 ( 3.461 -5.333 -0.037) 6.357 21.618 ( 3.191 -6.847 -1.414) 7.685 21.958 ( 0.394 4.349 -3.498) 5.595 22.018 ( -7.757 3.376 -3.644) 9.211 22.909 ( 0.481 -0.204 3.443) 3.482 23.238 ( 2.576 -3.188 1.110) 4.246 ======================= Grid point 954 (329/489) ======================= q-point: (-0.24 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.299 ( -15.942 8.123 -11.238) 21.128 6.196 ( -5.808 -1.742 2.728) 6.650 6.960 ( -6.875 6.612 15.241) 17.980 7.476 ( -8.687 0.163 -13.383) 15.956 8.255 ( -5.074 -5.321 -0.564) 7.374 8.442 ( -4.498 4.564 1.796) 6.655 9.802 ( -0.999 3.681 -14.392) 14.889 10.554 ( -16.346 16.279 -0.425) 23.073 11.084 ( 11.591 7.425 3.724) 14.260 12.500 ( -23.496 -19.045 22.612) 37.764 13.442 ( 4.065 0.536 10.951) 11.693 13.568 ( -9.454 11.444 0.220) 14.846 15.270 ( -15.741 -13.181 -18.081) 27.357 16.728 ( -6.176 -9.190 1.327) 11.152 17.948 ( -2.608 -9.690 9.362) 13.724 21.097 ( -9.153 -11.515 0.154) 14.711 21.709 ( 4.837 1.086 -0.074) 4.958 21.953 ( -2.281 0.874 -0.695) 2.539 22.114 ( 10.417 9.333 -9.047) 16.657 22.869 ( -0.450 -1.839 5.475) 5.793 23.473 ( 17.864 5.529 0.304) 18.703 ======================= Grid point 955 (330/489) ======================= q-point: (-0.18 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.018 ( -22.129 6.924 -7.966) 24.517 6.070 ( -6.546 -1.186 -5.860) 8.866 6.902 ( -9.869 3.567 13.913) 17.427 7.121 ( -23.013 -7.121 -9.970) 26.071 8.149 ( -0.978 -5.157 -2.490) 5.810 8.364 ( -8.277 1.977 9.413) 12.690 9.784 ( -4.060 4.733 -11.066) 12.702 10.355 ( -22.008 12.226 -0.794) 25.189 11.401 ( 11.119 2.959 -0.755) 11.530 11.801 ( -31.714 -20.581 17.490) 41.657 13.433 ( -8.732 4.110 2.221) 9.903 13.633 ( 4.126 4.830 10.998) 12.701 14.621 ( -31.765 -21.100 -13.709) 40.524 16.334 ( -22.165 -15.858 -4.084) 27.558 17.827 ( -3.556 -8.890 8.771) 12.985 20.849 ( -7.438 -7.414 1.846) 10.663 21.773 ( 0.483 3.318 0.579) 3.402 21.925 ( -1.860 0.694 -0.325) 2.012 22.391 ( 12.103 6.119 -9.949) 16.819 22.964 ( 10.332 2.229 6.732) 12.532 23.897 ( 21.817 7.044 -0.481) 22.931 ======================= Grid point 963 (331/489) ======================= q-point: ( 0.29 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 0.000 30.848 34.897) 46.577 3.068 ( 0.000 42.335 34.778) 54.788 5.071 ( -0.000 23.542 -26.307) 35.303 5.211 ( -0.000 30.695 -1.118) 30.716 5.370 ( 0.000 70.502 28.635) 76.095 7.757 ( 0.000 0.432 11.230) 11.238 8.135 ( 0.000 16.742 17.419) 24.160 8.648 ( -0.000 11.599 -4.535) 12.454 8.768 ( -0.000 11.453 -22.802) 25.517 9.920 ( -0.000 47.915 -30.961) 57.048 10.908 ( 0.000 1.298 8.612) 8.709 12.860 ( -0.000 3.630 -0.033) 3.630 13.609 ( -0.000 3.520 -18.603) 18.933 15.777 ( 0.000 30.481 1.226) 30.506 16.510 ( -0.000 -33.451 -3.710) 33.656 21.431 ( 0.000 -11.284 18.905) 22.017 21.756 ( -0.000 1.339 -0.214) 1.357 21.932 ( 0.000 -1.348 0.019) 1.348 22.457 ( 0.000 12.917 4.942) 13.830 24.936 ( 0.000 -21.095 1.850) 21.176 25.444 ( -0.000 -7.250 -6.347) 9.636 ======================= Grid point 964 (332/489) ======================= q-point: ( 0.35 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.156 ( 21.540 29.844 28.448) 46.518 3.692 ( 13.799 40.119 25.709) 49.607 5.217 ( -1.004 22.791 -26.819) 35.209 5.582 ( 18.698 18.861 -26.963) 37.847 6.438 ( 16.732 72.359 44.806) 86.737 7.815 ( 3.757 2.949 14.713) 15.469 8.372 ( -0.908 18.131 19.157) 26.392 8.756 ( 2.688 15.900 -12.855) 20.622 9.058 ( 20.117 16.822 -12.595) 29.092 10.434 ( 7.595 44.501 -20.674) 49.653 11.002 ( 4.042 14.230 -6.535) 16.172 12.939 ( 3.729 4.777 0.174) 6.063 13.573 ( -1.112 -2.258 -8.840) 9.192 15.994 ( -4.648 -23.346 -0.366) 23.807 16.266 ( 4.538 24.947 -8.412) 26.715 21.340 ( -3.099 -9.795 21.314) 23.660 21.778 ( 0.733 1.929 0.006) 2.064 21.917 ( -0.116 -1.274 -0.107) 1.284 22.599 ( 1.835 7.822 4.005) 8.978 24.648 ( -7.077 -22.383 -0.317) 23.477 25.314 ( -3.643 -9.548 -5.532) 11.621 ======================= Grid point 965 (333/489) ======================= q-point: ( 0.41 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.971 ( 27.557 29.844 23.076) 46.717 4.450 ( 22.643 34.773 13.600) 43.667 5.379 ( 1.844 18.659 -23.697) 30.218 6.056 ( 20.384 16.767 -28.159) 38.595 7.276 ( 1.641 29.933 23.212) 37.913 8.282 ( 28.268 30.965 31.491) 52.437 8.505 ( -3.495 15.247 12.217) 19.848 9.076 ( 11.244 23.189 -4.106) 26.096 9.680 ( 28.383 19.350 -1.468) 34.383 10.873 ( 6.007 27.426 -8.476) 29.328 11.376 ( 16.002 28.556 -32.810) 46.347 13.077 ( 4.787 6.980 0.324) 8.470 13.536 ( 0.642 2.254 2.392) 3.348 15.544 ( -12.287 -21.380 -8.715) 26.153 16.734 ( 13.998 24.791 -2.505) 28.580 21.232 ( -4.136 -8.528 20.800) 22.858 21.821 ( 1.114 2.955 0.410) 3.184 21.904 ( -0.320 -0.430 -0.190) 0.568 22.679 ( 0.611 1.931 2.084) 2.906 24.255 ( -11.374 -21.540 -1.728) 24.420 25.091 ( -7.532 -12.699 -4.248) 15.363 ======================= Grid point 966 (334/489) ======================= q-point: ( 0.47 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.789 ( 23.332 31.032 20.132) 43.734 5.214 ( 25.346 24.114 0.349) 34.986 5.562 ( 4.914 18.729 -16.953) 25.736 6.474 ( 15.357 15.673 -27.929) 35.518 7.453 ( -3.336 10.363 19.596) 22.417 8.534 ( -3.061 8.896 6.933) 11.687 9.430 ( 32.670 41.625 29.853) 60.755 9.535 ( 16.176 25.145 2.334) 29.989 10.309 ( 19.339 14.863 9.746) 26.266 11.229 ( 8.538 15.370 -12.342) 21.482 11.887 ( 23.140 27.635 -40.073) 53.898 13.242 ( 3.973 9.749 1.127) 10.587 13.746 ( 11.565 13.924 13.613) 22.648 15.151 ( -8.994 -10.993 -13.939) 19.900 17.194 ( 14.496 15.809 0.929) 21.469 21.120 ( -4.118 -7.749 16.625) 18.799 21.864 ( -0.739 3.022 0.572) 3.163 21.907 ( 0.576 1.824 0.056) 1.913 22.672 ( -0.970 -2.597 -0.119) 2.774 23.820 ( -13.314 -19.750 -1.264) 23.852 24.774 ( -10.941 -15.730 -3.031) 19.399 ======================= Grid point 967 (335/489) ======================= q-point: ( 0.53 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.485 ( 11.422 34.738 9.150) 37.695 5.605 ( 9.864 2.868 -0.639) 10.292 6.061 ( 24.361 25.923 -11.341) 37.338 6.781 ( 9.020 14.701 -24.028) 29.577 7.555 ( -1.139 9.465 21.814) 23.806 8.592 ( -2.408 9.569 3.313) 10.408 9.912 ( 6.639 20.208 4.031) 21.649 10.473 ( 24.495 28.563 9.133) 38.720 10.717 ( 9.056 15.130 7.764) 19.267 11.351 ( 5.914 1.271 0.953) 6.124 12.697 ( 39.126 34.340 -30.594) 60.382 13.418 ( 2.695 12.048 2.668) 12.630 14.107 ( 5.338 6.359 19.893) 21.556 15.059 ( 10.653 6.469 -19.829) 23.421 17.560 ( 13.062 6.988 4.107) 15.372 21.013 ( -2.846 -6.999 10.450) 12.895 21.861 ( -2.632 3.015 0.291) 4.012 21.949 ( 0.430 3.036 0.559) 3.117 22.606 ( -1.565 -4.671 -2.496) 5.523 23.391 ( -13.578 -17.340 0.990) 22.046 24.380 ( -13.302 -17.854 -2.054) 22.359 ======================= Grid point 968 (336/489) ======================= q-point: ( 0.59 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.687 ( -0.514 9.587 -10.528) 14.249 6.034 ( 9.262 21.331 20.573) 31.050 6.691 ( 22.639 20.514 -16.244) 34.600 6.981 ( 2.843 13.385 -16.558) 21.480 7.731 ( 3.689 11.855 20.061) 23.592 8.648 ( -3.303 10.173 -1.389) 10.786 10.142 ( 0.769 8.333 4.643) 9.570 10.727 ( -4.603 5.179 -21.395) 22.489 10.988 ( -1.677 25.695 3.753) 26.022 11.817 ( 27.778 11.490 31.342) 43.428 13.547 ( 6.112 11.839 -2.040) 13.479 13.647 ( 24.064 20.131 -9.309) 32.726 14.184 ( 3.154 10.079 3.007) 10.981 15.508 ( 27.299 10.782 -10.615) 31.212 17.816 ( 11.193 -1.000 6.359) 12.912 20.941 ( 0.596 -5.832 4.785) 7.567 21.834 ( -4.042 2.284 0.274) 4.650 21.970 ( -0.665 1.249 0.183) 1.427 22.521 ( -2.323 -3.648 -5.967) 7.369 23.015 ( -11.104 -13.127 4.918) 17.883 23.947 ( -14.125 -18.241 -1.229) 23.103 ======================= Grid point 969 (337/489) ======================= q-point: ( 0.65 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.713 ( -2.522 4.522 -5.396) 7.479 6.363 ( -0.223 19.422 15.391) 24.782 7.079 ( -2.028 11.065 -6.611) 13.048 7.183 ( 15.801 16.660 -17.223) 28.703 8.015 ( 9.085 12.624 12.952) 20.240 8.655 ( -6.426 8.735 -6.218) 12.500 10.119 ( -5.723 -1.240 -5.279) 7.884 10.662 ( -4.819 9.215 -5.408) 11.721 11.196 ( -8.686 31.003 0.186) 32.197 12.426 ( 21.858 3.518 29.464) 36.855 13.568 ( -4.840 -3.090 10.436) 11.912 13.921 ( -5.802 18.893 0.113) 19.765 14.737 ( 30.226 19.303 -21.925) 42.035 16.043 ( 25.709 2.878 -1.227) 25.898 17.958 ( 8.017 -8.285 7.229) 13.608 20.958 ( 6.790 -4.117 1.289) 8.045 21.738 ( -5.799 -5.446 -0.057) 7.956 21.968 ( -0.559 1.875 -1.104) 2.247 22.390 ( -8.372 -1.346 -7.239) 11.149 22.819 ( -1.232 -4.658 6.729) 8.276 23.528 ( -12.661 -16.211 -0.286) 20.572 ======================= Grid point 970 (338/489) ======================= q-point: ( 0.71 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.667 ( -4.927 1.374 -2.247) 5.586 6.500 ( -9.251 18.617 9.544) 22.875 7.118 ( -2.436 7.074 -1.587) 7.648 7.504 ( 6.118 14.671 -11.342) 19.527 8.321 ( 9.193 9.002 3.969) 13.465 8.555 ( -10.053 3.506 -7.445) 12.992 9.983 ( -8.207 5.916 -11.818) 15.557 10.714 ( 0.309 7.942 6.934) 10.547 11.297 ( -15.466 30.795 -2.551) 34.555 12.754 ( 8.847 -7.215 27.815) 30.067 13.445 ( -5.144 -4.744 10.283) 12.438 13.986 ( -11.551 22.929 -0.078) 25.674 15.239 ( 16.164 5.536 -24.260) 29.673 16.450 ( 19.518 -2.874 4.879) 20.322 17.956 ( 3.198 -14.358 7.230) 16.391 21.097 ( 11.451 -3.574 0.347) 12.001 21.530 ( -4.751 -12.784 -1.516) 13.722 21.996 ( 0.108 4.888 -1.959) 5.267 22.209 ( -10.057 2.774 -4.127) 11.220 22.871 ( 5.182 1.340 3.531) 6.412 23.203 ( -6.443 -11.713 1.015) 13.406 ======================= Grid point 971 (339/489) ======================= q-point: (-0.24 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.560 ( -7.892 0.519 -0.822) 7.952 6.474 ( -15.754 17.554 2.835) 23.757 7.136 ( -2.878 4.747 4.008) 6.847 7.624 ( -5.406 10.739 -9.750) 15.479 8.329 ( -8.542 -4.365 -12.005) 15.367 8.528 ( 0.552 6.116 8.568) 10.541 9.923 ( -6.639 14.049 -13.997) 20.914 10.861 ( 4.326 8.160 9.024) 12.912 11.264 ( -19.433 25.816 -4.580) 32.636 12.673 ( -10.851 -18.184 26.314) 33.776 13.406 ( 1.832 -1.160 10.145) 10.374 13.966 ( -15.811 20.849 -0.440) 26.170 15.280 ( -3.671 -8.248 -20.781) 22.658 16.644 ( 6.082 -8.439 2.998) 10.826 17.848 ( 1.531 -16.135 8.025) 18.086 21.089 ( -4.253 -12.948 0.850) 13.655 21.521 ( 13.729 -1.667 -2.284) 14.017 22.028 ( -3.120 2.470 -0.948) 4.091 22.121 ( -2.133 8.406 -4.897) 9.959 22.887 ( -3.214 -3.309 3.314) 5.680 23.215 ( 14.364 -0.005 0.970) 14.396 ======================= Grid point 972 (340/489) ======================= q-point: (-0.18 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.395 ( -12.504 2.238 -0.195) 12.704 6.334 ( -18.176 14.668 -3.399) 23.603 7.117 ( -6.391 3.892 6.069) 9.634 7.446 ( -19.586 2.361 -9.466) 21.881 8.141 ( -4.458 -3.818 -7.235) 9.316 8.537 ( -6.228 1.769 11.346) 13.063 9.945 ( -5.818 16.134 -13.928) 22.094 10.945 ( -19.122 18.519 3.037) 26.792 11.239 ( 4.300 8.708 -4.113) 10.547 12.171 ( -27.423 -22.890 23.482) 42.748 13.487 ( 4.240 -1.501 11.748) 12.579 13.873 ( -15.461 16.824 -0.147) 22.850 14.868 ( -22.344 -17.212 -15.617) 32.240 16.472 ( -11.773 -14.488 -3.874) 19.066 17.749 ( 1.951 -13.635 9.321) 16.631 20.876 ( -5.057 -9.711 1.565) 11.060 21.750 ( 8.731 2.756 -0.574) 9.173 21.973 ( -3.163 1.325 -0.425) 3.456 22.252 ( 7.232 7.993 -7.183) 12.953 22.855 ( 3.465 -2.247 5.443) 6.832 23.562 ( 21.368 3.111 -0.242) 21.594 ======================= Grid point 981 (341/489) ======================= q-point: ( 0.35 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.312 ( 0.000 28.203 26.206) 38.499 4.044 ( 0.000 39.475 23.213) 45.794 5.475 ( -0.000 15.632 -25.115) 29.583 5.489 ( -0.000 28.451 -24.715) 37.687 7.189 ( 0.000 75.829 40.448) 85.942 7.815 ( 0.000 0.286 11.332) 11.335 8.610 ( 0.000 14.704 17.379) 22.765 8.928 ( -0.000 17.415 -3.854) 17.836 8.986 ( -0.000 26.032 -15.444) 30.269 10.792 ( -0.000 39.837 -12.886) 41.869 11.135 ( -0.000 26.831 -19.971) 33.447 12.950 ( 0.000 4.987 0.502) 5.012 13.556 ( -0.000 0.320 -3.052) 3.069 15.762 ( -0.000 -28.317 -5.046) 28.763 16.502 ( -0.000 31.579 -5.138) 31.994 21.318 ( 0.000 -9.517 21.028) 23.081 21.787 ( -0.000 1.629 -0.032) 1.630 21.899 ( -0.000 -1.802 -0.217) 1.815 22.666 ( 0.000 5.393 3.280) 6.312 24.471 ( -0.000 -23.924 -1.003) 23.945 25.228 ( -0.000 -11.547 -4.924) 12.554 ======================= Grid point 982 (342/489) ======================= q-point: ( 0.41 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.846 ( 21.431 25.984 21.203) 39.800 4.565 ( 9.709 35.120 15.724) 39.685 5.537 ( -2.234 19.804 -19.566) 27.929 5.883 ( 14.401 23.562 -23.653) 36.360 7.672 ( -9.811 17.885 12.689) 24.023 8.240 ( 21.097 33.909 18.481) 44.005 8.771 ( -1.441 23.256 19.929) 30.661 9.164 ( 6.182 24.034 0.149) 24.817 9.466 ( 18.934 27.486 2.660) 33.482 11.097 ( -0.031 26.768 -8.195) 27.995 11.452 ( 4.579 35.856 -36.739) 51.540 13.052 ( 4.943 6.121 0.642) 7.894 13.596 ( -0.109 9.795 5.100) 11.044 15.430 ( -4.344 -24.267 -9.202) 26.314 16.850 ( 4.343 29.105 -2.194) 29.509 21.249 ( -2.468 -8.870 19.690) 21.737 21.820 ( 1.720 2.030 0.180) 2.667 21.887 ( 0.701 -1.475 -0.268) 1.655 22.701 ( -0.580 0.801 1.776) 2.033 24.173 ( -5.757 -23.127 -1.515) 23.881 25.050 ( -4.285 -14.230 -3.954) 15.379 ======================= Grid point 983 (343/489) ======================= q-point: ( 0.47 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.619 ( 30.062 24.229 16.333) 41.923 5.131 ( 14.483 26.218 6.542) 30.659 5.707 ( 1.334 23.709 -12.715) 26.936 6.320 ( 15.087 20.483 -23.230) 34.450 7.677 ( -5.842 9.092 10.321) 14.944 8.619 ( 4.280 4.311 1.510) 6.260 9.423 ( 20.947 38.264 27.295) 51.458 9.590 ( 11.632 29.517 4.428) 32.034 10.152 ( 22.196 28.289 16.607) 39.607 11.294 ( -0.575 14.166 -15.269) 20.836 11.828 ( 9.979 35.933 -38.385) 53.518 13.241 ( 7.305 8.799 0.863) 11.469 13.814 ( 4.006 21.562 13.023) 25.506 15.110 ( -4.883 -15.206 -13.865) 21.150 17.204 ( 6.081 21.450 0.547) 22.302 21.147 ( -3.880 -8.360 15.806) 18.297 21.886 ( 2.549 2.843 0.529) 3.855 21.894 ( 1.082 -0.301 -0.148) 1.133 22.667 ( -1.826 -3.591 0.192) 4.033 23.808 ( -9.372 -21.058 -1.034) 23.073 24.770 ( -8.369 -17.114 -2.928) 19.275 ======================= Grid point 984 (344/489) ======================= q-point: ( 0.53 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.386 ( 24.125 16.348 17.843) 34.170 5.578 ( 12.191 19.158 -7.596) 23.945 6.054 ( 9.460 30.741 -5.818) 32.685 6.699 ( 11.893 17.347 -22.080) 30.494 7.729 ( -1.947 9.739 13.081) 16.424 8.708 ( 0.462 5.748 3.646) 6.823 9.959 ( 11.907 13.716 7.295) 19.574 10.311 ( 23.697 28.565 5.848) 37.572 10.835 ( 12.237 34.410 19.602) 41.449 11.293 ( 0.017 0.508 -9.021) 9.035 12.443 ( 24.015 41.017 -31.350) 56.939 13.478 ( 6.315 12.414 2.277) 14.113 14.147 ( 4.638 13.368 20.286) 24.734 14.954 ( 2.536 2.730 -21.544) 21.863 17.486 ( 6.107 11.637 2.989) 13.478 21.023 ( -4.074 -7.798 10.230) 13.493 21.914 ( 0.250 1.827 0.188) 1.854 21.957 ( 1.802 2.278 0.576) 2.961 22.578 ( -2.013 -6.043 -1.122) 6.468 23.425 ( -10.912 -18.310 0.383) 21.319 24.402 ( -11.332 -19.400 -2.047) 22.560 ======================= Grid point 985 (345/489) ======================= q-point: ( 0.59 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.688 ( 3.602 3.187 9.156) 10.342 6.112 ( 17.374 24.286 -4.226) 30.159 6.569 ( 14.540 28.051 -5.224) 32.025 6.992 ( 7.692 15.756 -18.109) 25.206 7.864 ( 0.964 11.395 15.877) 19.567 8.778 ( -0.748 7.333 0.864) 7.422 10.199 ( 3.192 3.271 4.155) 6.177 10.802 ( 4.451 16.798 -18.526) 25.401 11.235 ( 4.286 23.536 3.214) 24.138 11.601 ( 18.784 18.316 27.828) 38.245 13.270 ( 30.867 32.343 -22.713) 50.147 13.686 ( 1.137 10.587 6.734) 12.598 14.293 ( 0.889 7.200 12.079) 14.090 15.200 ( 16.683 14.589 -16.521) 27.642 17.666 ( 5.957 1.193 4.746) 7.710 20.905 ( -2.498 -6.871 5.063) 8.892 21.923 ( -3.090 1.982 0.312) 3.685 21.979 ( 0.270 -0.978 0.173) 1.029 22.495 ( -0.384 -3.830 -2.658) 4.678 23.070 ( -10.194 -14.414 2.519) 17.833 23.982 ( -12.571 -20.122 -1.296) 23.762 ======================= Grid point 986 (346/489) ======================= q-point: ( 0.65 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.744 ( -0.540 -0.139 7.588) 7.608 6.562 ( 8.411 21.004 -1.312) 22.664 7.073 ( 14.093 23.426 -9.924) 29.084 7.188 ( 1.284 13.114 -11.099) 17.228 8.068 ( 4.268 12.325 14.727) 19.673 8.815 ( -3.556 6.868 -5.280) 9.364 10.202 ( -3.060 1.515 -1.802) 3.861 10.875 ( -6.435 14.308 -8.938) 18.056 11.604 ( 1.575 31.977 -0.418) 32.019 12.165 ( 19.614 8.508 27.588) 34.902 13.643 ( -4.075 -3.011 8.122) 9.573 14.027 ( 17.683 22.580 -10.579) 30.569 14.563 ( 10.364 25.743 -4.707) 28.147 15.628 ( 22.109 4.524 -5.860) 23.315 17.745 ( 6.118 -8.981 5.363) 12.118 20.837 ( 1.649 -5.517 1.829) 6.042 21.784 ( -7.707 -9.452 -0.259) 12.199 21.993 ( 0.307 2.690 -0.567) 2.766 22.468 ( -1.874 1.561 -4.753) 5.342 22.818 ( -4.787 -8.459 5.082) 10.968 23.564 ( -11.747 -18.416 -0.479) 21.849 ======================= Grid point 987 (347/489) ======================= q-point: ( 0.71 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.715 ( -2.622 -3.162 7.779) 8.797 6.844 ( -0.073 19.902 2.978) 20.124 7.228 ( -4.916 9.175 -9.510) 14.100 7.502 ( 11.637 18.265 -9.865) 23.798 8.308 ( 4.602 11.666 6.405) 14.082 8.746 ( -8.254 3.343 -6.698) 11.143 10.187 ( -5.171 12.202 -5.127) 14.210 10.866 ( -6.500 9.433 1.307) 11.530 11.879 ( -9.803 35.781 -3.665) 37.280 12.548 ( 13.485 -4.467 26.532) 30.096 13.512 ( -5.856 -5.906 9.539) 12.655 14.388 ( -1.549 25.843 -3.580) 26.136 15.003 ( 12.666 16.571 -18.600) 27.947 16.032 ( 23.830 -4.023 4.022) 24.499 17.721 ( 5.273 -17.865 4.921) 19.266 20.878 ( 8.243 -3.943 0.692) 9.163 21.501 ( -8.344 -15.576 -1.049) 17.701 22.037 ( 0.561 4.905 -1.226) 5.087 22.390 ( -7.999 3.022 -4.341) 9.590 22.787 ( 4.871 -1.385 4.169) 6.560 23.211 ( -8.907 -14.497 0.605) 17.025 ======================= Grid point 988 (348/489) ======================= q-point: (-0.24 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.634 ( -3.901 -4.707 7.979) 10.051 6.959 ( -11.801 19.897 1.937) 23.215 7.205 ( -1.646 4.190 -2.839) 5.322 7.793 ( 2.996 16.668 -10.850) 20.113 8.366 ( -6.765 0.213 -18.408) 19.613 8.669 ( -4.014 7.216 14.299) 16.512 10.220 ( -8.676 20.648 -12.071) 25.443 10.883 ( 0.106 4.505 8.454) 9.580 11.952 ( -20.996 33.643 -4.963) 39.966 12.643 ( 0.953 -15.686 26.467) 30.781 13.409 ( -1.965 -3.337 8.656) 9.483 14.499 ( -15.422 26.624 -1.424) 30.801 15.176 ( 2.754 -0.383 -20.537) 20.725 16.366 ( 16.963 -7.297 5.846) 19.369 17.608 ( 4.922 -22.176 4.953) 23.249 20.986 ( 4.201 -8.395 1.600) 9.523 21.279 ( 4.972 -8.662 -2.455) 10.285 22.094 ( -0.678 4.946 -1.085) 5.108 22.275 ( -7.124 5.148 -3.585) 9.492 22.912 ( 1.656 0.517 1.818) 2.513 22.992 ( 4.120 -8.929 1.966) 10.028 ======================= Grid point 989 (349/489) ======================= q-point: (-0.18 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.527 ( -5.063 -4.279 7.859) 10.281 6.854 ( -18.653 15.857 -5.084) 25.004 7.240 ( -2.034 5.243 4.884) 7.448 7.826 ( -16.562 13.393 -12.272) 24.582 8.149 ( -4.344 -5.753 -15.560) 17.149 8.708 ( -6.005 5.884 16.813) 18.798 10.239 ( -9.085 21.408 -17.697) 29.224 11.007 ( 6.790 2.419 9.607) 12.010 11.802 ( -28.830 26.272 -5.997) 39.464 12.385 ( -15.373 -20.533 25.256) 35.997 13.420 ( 3.278 -2.390 9.815) 10.621 14.398 ( -21.711 20.283 -1.823) 29.767 14.999 ( -12.513 -9.047 -15.241) 21.696 16.431 ( 0.158 -11.996 -1.889) 12.145 17.521 ( 7.739 -18.305 7.724) 21.322 20.846 ( -3.167 -10.399 1.363) 10.956 21.503 ( 18.442 0.400 -1.732) 18.528 22.064 ( -5.098 1.626 -0.499) 5.374 22.278 ( -0.455 8.622 -3.608) 9.358 22.818 ( -1.697 -4.780 3.194) 5.994 23.226 ( 18.275 0.346 0.421) 18.283 ======================= Grid point 999 (350/489) ======================= q-point: ( 0.41 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.939 ( 0.000 22.831 19.370) 29.940 4.863 ( 0.000 32.271 12.339) 34.550 5.722 ( -0.000 18.742 -11.514) 21.997 5.963 ( -0.000 28.260 -22.292) 35.994 7.888 ( 0.000 1.817 11.519) 11.661 8.327 ( -0.000 16.734 -10.286) 19.642 9.167 ( 0.000 35.912 33.470) 49.091 9.294 ( -0.000 19.516 -3.117) 19.764 9.719 ( 0.000 46.154 20.818) 50.632 11.319 ( -0.000 19.927 -15.176) 25.048 11.707 ( -0.000 37.234 -37.146) 52.595 13.065 ( 0.000 5.881 1.007) 5.967 13.780 ( 0.000 23.097 9.895) 25.128 15.200 ( -0.000 -21.813 -11.621) 24.715 17.113 ( -0.000 28.596 -0.941) 28.611 21.228 ( 0.000 -8.564 17.942) 19.881 21.817 ( -0.000 0.921 -0.088) 0.926 21.863 ( -0.000 -1.218 -0.227) 1.239 22.706 ( 0.000 -2.265 0.842) 2.416 23.986 ( -0.000 -22.502 -1.218) 22.535 24.927 ( -0.000 -16.152 -3.345) 16.495 ======================= Grid point 1000 (351/489) ======================= q-point: ( 0.47 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.403 ( 21.653 20.158 15.589) 33.440 5.245 ( 5.672 26.667 8.107) 28.443 5.908 ( 0.432 23.071 -6.085) 23.864 6.280 ( 9.077 24.473 -20.659) 33.288 7.871 ( -5.708 4.576 7.971) 10.819 8.489 ( 10.258 1.829 -11.204) 15.301 9.572 ( 4.785 20.939 25.414) 33.275 9.616 ( 13.609 21.026 -2.292) 25.150 10.398 ( 6.824 56.810 33.794) 66.453 11.384 ( -2.140 4.470 -21.181) 21.754 12.050 ( 2.473 43.963 -34.454) 55.909 13.191 ( 6.643 7.061 1.008) 9.746 14.089 ( -0.473 29.185 15.762) 33.173 14.971 ( -0.850 -12.443 -17.244) 21.281 17.391 ( 0.390 24.051 0.718) 24.065 21.158 ( -2.646 -7.984 14.317) 16.605 21.838 ( 2.380 -1.055 -0.574) 2.666 21.878 ( 1.861 1.389 0.510) 2.378 22.653 ( -1.515 -5.695 0.092) 5.893 23.720 ( -4.862 -20.467 -0.602) 21.045 24.701 ( -4.831 -18.389 -2.589) 19.188 ======================= Grid point 1001 (352/489) ======================= q-point: ( 0.53 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.102 ( 29.613 16.811 11.696) 36.004 5.612 ( 6.304 20.648 5.710) 22.331 6.199 ( 6.083 25.809 -4.305) 26.864 6.635 ( 10.426 19.649 -19.432) 29.536 7.870 ( -2.058 6.734 6.713) 9.728 8.663 ( 9.100 1.518 -4.360) 10.204 9.879 ( 8.933 6.747 18.649) 21.751 10.168 ( 23.026 21.593 -4.363) 31.867 11.152 ( 5.733 47.076 22.501) 52.492 11.297 ( -1.676 1.516 -7.660) 7.986 12.534 ( 8.865 46.382 -30.421) 56.172 13.441 ( 10.923 10.506 0.983) 15.187 14.315 ( -2.826 7.083 21.112) 22.447 14.926 ( 2.241 15.186 -23.493) 28.063 17.598 ( -1.111 16.409 2.273) 16.603 21.045 ( -4.363 -7.183 9.253) 12.500 21.879 ( 3.470 -0.778 -0.458) 3.586 21.944 ( 2.621 2.052 0.832) 3.431 22.546 ( -2.303 -7.877 0.038) 8.207 23.409 ( -7.978 -17.624 0.117) 19.346 24.375 ( -8.945 -20.264 -1.864) 22.228 ======================= Grid point 1002 (353/489) ======================= q-point: ( 0.59 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.665 ( 11.323 6.730 13.197) 18.646 5.990 ( 15.926 22.138 -3.519) 27.497 6.618 ( 12.154 24.571 -1.187) 27.438 6.952 ( 10.066 16.363 -17.640) 26.082 7.971 ( 1.975 8.450 9.534) 12.892 8.804 ( 4.701 3.478 -2.307) 6.286 10.096 ( 8.802 -2.905 10.729) 14.179 10.753 ( 18.264 18.561 -14.422) 29.767 11.284 ( 7.204 7.751 -1.318) 10.664 11.770 ( 2.702 37.706 22.751) 44.120 13.147 ( 17.414 38.026 -19.774) 46.263 13.746 ( 7.206 11.647 2.201) 13.871 14.324 ( 2.627 -1.098 12.617) 12.934 15.179 ( 4.104 25.930 -16.669) 31.097 17.687 ( -2.855 6.535 3.429) 7.913 20.912 ( -4.511 -6.045 4.629) 8.850 21.933 ( 2.997 -1.439 -0.239) 3.333 21.974 ( -1.194 -0.493 0.416) 1.356 22.446 ( 0.182 -5.607 0.367) 5.622 23.098 ( -8.799 -13.706 0.741) 16.304 23.980 ( -11.247 -20.807 -1.229) 23.684 ======================= Grid point 1003 (354/489) ======================= q-point: ( 0.65 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.789 ( -1.057 1.298 10.104) 10.242 6.506 ( 16.750 19.650 -7.125) 26.785 7.061 ( 11.590 18.590 1.218) 21.940 7.244 ( 7.706 15.912 -14.159) 22.650 8.136 ( 4.314 8.163 13.340) 16.223 8.886 ( 0.773 4.640 -6.948) 8.391 10.200 ( 4.995 -0.387 3.507) 6.116 11.032 ( 3.220 10.275 -11.454) 15.720 11.717 ( 17.310 23.447 6.228) 29.803 12.162 ( 2.951 22.383 13.636) 26.375 13.650 ( 4.419 5.634 -2.033) 7.443 13.951 ( 11.566 19.909 -3.209) 23.248 14.614 ( 15.076 19.811 4.645) 25.324 15.444 ( 5.285 15.107 -11.277) 19.579 17.648 ( -3.296 -4.961 3.856) 7.095 20.798 ( -2.650 -4.662 1.773) 5.648 21.804 ( -7.162 -12.567 -0.240) 14.466 22.004 ( 1.586 2.717 -0.261) 3.157 22.461 ( 3.309 0.724 -0.122) 3.389 22.843 ( -6.997 -8.557 1.413) 11.143 23.572 ( -11.136 -19.089 -0.586) 22.108 ======================= Grid point 1004 (355/489) ======================= q-point: ( 0.71 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.757 ( -3.447 -2.696 7.942) 9.068 6.920 ( 9.992 17.451 -2.191) 20.229 7.376 ( 2.337 9.821 -7.177) 12.387 7.439 ( 7.052 11.965 -6.259) 15.233 8.376 ( 7.159 12.672 12.487) 19.177 8.870 ( -4.851 3.179 -11.426) 12.814 10.335 ( 3.214 11.755 1.702) 12.305 11.080 ( -5.352 7.096 -4.425) 9.929 12.239 ( 8.768 27.721 4.072) 29.359 12.408 ( 4.738 6.669 11.476) 14.094 13.569 ( -5.512 -6.455 5.442) 10.083 14.457 ( 15.338 23.395 -7.315) 28.915 15.110 ( 7.298 28.810 -3.616) 29.940 15.636 ( 13.130 -1.823 -1.224) 13.313 17.498 ( -1.550 -17.184 3.266) 17.560 20.751 ( 1.967 -3.044 0.672) 3.686 21.493 ( -9.654 -17.091 -0.482) 19.635 22.064 ( 1.583 4.247 -0.728) 4.590 22.514 ( -1.858 3.672 -2.840) 5.000 22.709 ( 0.180 -4.663 3.343) 5.740 23.219 ( -8.824 -14.800 0.178) 17.232 ======================= Grid point 1005 (356/489) ======================= q-point: ( 0.76 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.669 ( -3.797 -5.083 7.660) 9.947 7.202 ( 2.879 14.903 5.853) 16.268 7.335 ( -8.127 3.671 -4.851) 10.152 7.722 ( 13.097 6.909 -12.763) 19.549 8.587 ( -8.777 17.372 -15.845) 25.097 8.795 ( 0.008 2.214 13.833) 14.009 10.522 ( -2.081 20.526 -5.296) 21.300 10.999 ( -6.976 2.109 1.952) 7.544 12.494 ( 2.951 -10.130 17.272) 20.240 12.562 ( -7.480 30.320 -1.324) 31.257 13.434 ( -3.621 -5.269 5.773) 8.614 14.865 ( 5.666 21.442 -5.955) 22.963 15.263 ( -12.446 16.554 -13.638) 24.798 15.962 ( 22.978 -3.724 9.415) 25.109 17.283 ( 2.846 -26.448 2.154) 26.688 20.817 ( 7.221 -2.185 1.034) 7.615 21.169 ( -5.725 -15.133 -1.238) 16.227 22.145 ( 1.301 6.331 -0.806) 6.514 22.438 ( -7.497 2.931 -3.488) 8.773 22.766 ( 8.034 -3.881 3.001) 9.413 22.974 ( -5.706 -7.840 0.848) 9.733 ======================= Grid point 1006 (357/489) ======================= q-point: (-0.18 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.568 ( -3.463 -5.468 8.277) 10.507 7.186 ( -10.164 2.862 -4.901) 11.641 7.365 ( -1.595 10.004 10.759) 14.778 7.941 ( 9.008 2.770 -15.815) 18.410 8.369 ( -21.397 11.169 -23.062) 33.383 8.920 ( -2.924 7.884 21.805) 23.370 10.580 ( -10.725 18.405 -19.929) 29.171 10.977 ( 1.876 1.074 12.592) 12.776 12.350 ( -9.258 -14.661 14.202) 22.414 12.588 ( -18.877 20.113 2.524) 27.699 13.376 ( 0.470 -3.720 6.342) 7.367 14.993 ( -19.950 20.677 -2.577) 28.847 15.089 ( -7.753 1.498 -12.626) 14.892 16.239 ( 9.395 -6.523 2.456) 11.698 17.147 ( 12.011 -22.936 4.342) 26.252 20.802 ( -2.915 -8.437 1.481) 9.048 21.173 ( 16.232 -1.860 -1.589) 16.415 22.177 ( -4.928 3.404 -0.395) 6.002 22.378 ( -2.102 6.455 -2.984) 7.415 22.794 ( -0.150 -8.636 2.145) 8.900 22.963 ( 10.062 0.781 1.015) 10.144 ======================= Grid point 1017 (358/489) ======================= q-point: ( 0.47 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.423 ( 0.000 16.998 14.515) 22.352 5.487 ( 0.000 25.424 9.196) 27.036 6.128 ( -0.000 22.351 -1.121) 22.380 6.405 ( -0.000 24.740 -20.371) 32.048 7.994 ( 0.000 2.950 11.487) 11.859 8.342 ( -0.000 -0.309 -19.555) 19.557 9.671 ( -0.000 18.335 -2.378) 18.489 9.759 ( 0.000 10.745 24.937) 27.154 11.041 ( 0.000 58.107 28.671) 64.796 11.353 ( -0.000 -1.998 -16.194) 16.317 12.433 ( -0.000 49.664 -32.738) 59.483 13.194 ( 0.000 6.189 1.216) 6.308 14.384 ( 0.000 10.095 20.786) 23.108 14.901 ( -0.000 14.738 -23.687) 27.898 17.637 ( 0.000 22.599 1.188) 22.630 21.138 ( 0.000 -6.910 11.620) 13.519 21.798 ( -0.000 -1.832 -0.775) 1.990 21.873 ( 0.000 1.483 0.441) 1.547 22.597 ( 0.000 -8.203 0.382) 8.212 23.562 ( 0.000 -18.701 -0.260) 18.703 24.545 ( -0.000 -19.882 -2.089) 19.992 ======================= Grid point 1018 (359/489) ======================= q-point: ( 0.53 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.816 ( 21.437 14.262 11.919) 28.373 5.784 ( 2.328 23.100 11.823) 26.054 6.355 ( 1.727 20.687 -3.284) 21.017 6.655 ( 5.866 21.020 -17.965) 28.267 7.986 ( -4.013 3.755 5.119) 7.510 8.437 ( 13.033 -0.196 -11.938) 17.675 9.887 ( 1.670 1.852 21.629) 21.772 9.998 ( 15.522 17.584 -1.528) 23.505 11.195 ( 0.403 -5.980 -22.029) 22.830 11.748 ( -0.204 52.507 31.934) 61.456 12.878 ( 0.835 49.011 -27.803) 56.354 13.350 ( 9.531 8.620 0.560) 12.863 14.352 ( -1.388 -13.266 10.107) 16.735 15.168 ( -1.227 39.491 -14.180) 41.977 17.826 ( -3.032 17.925 1.661) 18.256 21.069 ( -3.190 -5.329 7.577) 9.798 21.804 ( 2.866 -1.671 -0.762) 3.404 21.914 ( 2.489 1.472 0.669) 2.968 22.491 ( -1.432 -9.959 1.508) 10.174 23.345 ( -4.155 -16.093 -0.319) 16.624 24.287 ( -5.033 -21.103 -1.536) 21.749 ======================= Grid point 1019 (360/489) ======================= q-point: ( 0.59 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.422 ( 26.143 10.251 8.278) 29.276 6.077 ( 2.581 20.848 12.648) 24.520 6.620 ( 9.289 16.604 -7.132) 20.319 6.928 ( 7.189 16.984 -13.694) 22.971 8.023 ( 1.552 5.866 4.397) 7.493 8.658 ( 12.602 0.927 -7.446) 14.667 9.956 ( 4.439 -6.275 17.731) 19.325 10.523 ( 22.514 16.283 -8.101) 28.942 11.170 ( 7.923 -0.477 -8.640) 11.733 12.255 ( -4.094 41.140 16.329) 44.451 13.314 ( 4.899 36.701 -12.902) 39.210 13.696 ( 12.549 16.395 -2.974) 20.859 14.228 ( 2.619 -11.204 6.061) 13.005 15.484 ( -4.356 35.863 -10.213) 37.543 17.886 ( -7.520 10.718 2.012) 13.246 20.961 ( -5.250 -3.463 3.689) 7.291 21.849 ( 3.765 -2.427 -0.573) 4.516 21.965 ( 1.428 -0.427 0.449) 1.557 22.377 ( 0.005 -8.545 3.088) 9.086 23.102 ( -6.428 -12.176 -0.774) 13.790 23.943 ( -8.762 -21.100 -1.028) 22.870 ======================= Grid point 1020 (361/489) ======================= q-point: ( 0.65 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.803 ( 6.021 2.468 4.645) 7.995 6.434 ( 12.486 20.940 4.969) 24.881 6.995 ( 15.827 12.205 -0.758) 20.001 7.194 ( 8.757 14.402 -11.238) 20.258 8.149 ( 3.923 4.540 9.181) 10.968 8.834 ( 7.452 2.399 -9.215) 12.091 10.047 ( 9.900 -4.805 11.189) 15.694 10.928 ( 12.161 6.364 -12.655) 18.669 11.543 ( 25.581 14.167 5.495) 29.753 12.508 ( -8.473 27.272 1.600) 28.602 13.675 ( 1.984 10.431 -0.221) 10.620 13.953 ( 7.589 15.429 -3.561) 17.559 14.455 ( 20.419 11.963 5.466) 24.288 15.675 ( -7.548 26.444 -9.710) 29.164 17.781 ( -11.899 1.371 2.173) 12.173 20.843 ( -5.536 -1.539 1.303) 5.892 21.781 ( -4.848 -12.316 0.033) 13.236 21.989 ( 2.451 1.462 -0.249) 2.865 22.376 ( 5.165 -2.819 3.605) 6.901 22.888 ( -6.347 -6.421 -1.338) 9.128 23.565 ( -10.085 -19.035 -0.597) 21.550 ======================= Grid point 1021 (362/489) ======================= q-point: ( 0.71 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.808 ( -3.357 -2.373 1.685) 4.443 6.890 ( 13.694 19.286 0.790) 23.666 7.316 ( 9.704 6.331 0.226) 11.588 7.454 ( 5.322 9.578 -7.410) 13.228 8.328 ( 10.609 3.863 17.205) 20.579 8.918 ( 1.138 4.501 -15.872) 16.537 10.285 ( 13.680 5.535 8.160) 16.863 11.096 ( 5.799 0.662 -6.104) 8.445 12.205 ( 24.269 19.888 5.769) 31.903 12.552 ( -8.018 13.041 -4.618) 15.989 13.604 ( -5.145 -6.205 0.468) 8.075 14.404 ( 15.820 23.014 -0.542) 27.932 15.021 ( 24.664 13.952 7.535) 29.321 15.711 ( -10.341 16.880 -10.428) 22.374 17.507 ( -14.595 -9.881 1.978) 17.736 20.754 ( -3.677 0.315 0.327) 3.705 21.488 ( -9.633 -17.225 0.200) 19.737 22.062 ( 2.903 3.403 -0.477) 4.498 22.472 ( 6.298 -1.577 2.957) 7.134 22.745 ( -5.658 -0.741 -1.674) 5.947 23.222 ( -8.575 -14.758 -0.218) 17.070 ======================= Grid point 1022 (363/489) ======================= q-point: ( 0.76 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.700 ( -4.239 -5.003 1.538) 6.736 7.284 ( 8.277 16.458 4.180) 18.890 7.467 ( -2.816 -1.150 -1.928) 3.601 7.523 ( 7.399 4.887 -6.830) 11.193 8.684 ( 15.464 6.075 22.922) 28.310 8.887 ( -6.656 8.413 -22.824) 25.220 10.628 ( 10.540 13.461 4.990) 17.810 11.100 ( -2.979 -2.842 -3.858) 5.642 12.445 ( -4.912 -3.071 4.351) 7.245 12.797 ( 12.385 21.098 -1.843) 24.533 13.454 ( -4.302 -5.982 1.070) 7.446 14.884 ( 12.777 19.793 -1.577) 23.611 15.551 ( 12.355 -6.344 7.266) 15.674 15.676 ( -0.184 27.618 -8.238) 28.821 17.095 ( -12.918 -22.503 1.177) 25.974 20.739 ( 1.063 2.108 0.180) 2.367 21.142 ( -9.096 -16.111 -0.085) 18.502 22.166 ( 3.619 6.264 -0.488) 7.251 22.541 ( 0.955 -2.343 0.524) 2.584 22.651 ( -2.692 -1.032 -0.124) 2.886 22.988 ( -4.505 -7.601 0.116) 8.837 ======================= Grid point 1023 (364/489) ======================= q-point: (-0.18 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.583 ( -3.207 -5.665 3.363) 7.327 7.317 ( -6.299 -3.272 -1.662) 7.290 7.524 ( -1.576 9.887 14.565) 17.674 7.733 ( 12.553 4.708 -17.030) 21.674 8.733 ( -12.127 5.961 -17.230) 21.897 9.023 ( 5.764 8.279 16.816) 19.610 10.859 ( -6.929 12.303 -17.599) 22.563 10.981 ( 1.659 -3.055 14.047) 14.471 12.294 ( -3.707 -14.397 8.185) 16.971 13.041 ( -6.423 14.697 -1.080) 16.076 13.353 ( -1.514 -4.371 2.100) 5.080 15.203 ( 1.594 15.588 -2.910) 15.937 15.429 ( -9.963 1.815 -6.100) 11.822 16.115 ( 6.239 15.778 5.727) 17.908 16.698 ( 5.534 -29.774 0.358) 30.286 20.802 ( -2.124 -0.566 1.565) 2.698 20.926 ( 5.741 -6.421 -1.533) 8.749 22.294 ( -0.471 8.252 0.147) 8.266 22.449 ( -3.305 -0.920 -2.989) 4.550 22.650 ( 4.014 -6.630 2.429) 8.122 22.906 ( -0.242 -0.936 0.322) 1.019 ======================= Grid point 1035 (365/489) ======================= q-point: ( 0.53 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.773 ( 0.000 11.490 11.707) 16.403 6.037 ( 0.000 23.374 16.045) 28.351 6.529 ( -0.000 15.673 -1.999) 15.800 6.765 ( -0.000 19.629 -19.592) 27.734 8.103 ( 0.000 2.304 11.073) 11.311 8.240 ( -0.000 0.831 -19.711) 19.729 9.940 ( 0.000 -3.518 23.069) 23.336 10.002 ( -0.000 14.815 -1.569) 14.898 11.063 ( -0.000 -7.141 -20.365) 21.580 12.331 ( 0.000 46.539 21.037) 51.073 13.321 ( 0.000 5.556 0.990) 5.644 13.334 ( -0.000 49.900 -20.601) 53.985 14.223 ( 0.000 -15.127 2.803) 15.384 15.584 ( -0.000 41.259 -7.990) 42.026 18.036 ( 0.000 15.893 0.951) 15.922 21.075 ( 0.000 -2.487 5.140) 5.711 21.757 ( -0.000 -1.680 -0.852) 1.884 21.906 ( 0.000 1.366 0.583) 1.485 22.399 ( 0.000 -11.738 3.520) 12.254 23.226 ( -0.000 -13.799 -1.171) 13.848 24.110 ( -0.000 -21.695 -1.136) 21.725 ======================= Grid point 1036 (366/489) ======================= q-point: ( 0.59 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.101 ( 20.749 8.769 9.915) 24.612 6.316 ( 0.119 21.599 19.420) 29.046 6.639 ( 0.819 9.085 -9.290) 13.020 6.960 ( 5.329 16.312 -14.766) 22.639 8.082 ( -1.940 4.593 2.031) 5.383 8.398 ( 13.952 1.330 -8.769) 16.532 9.897 ( -1.361 -9.310 18.948) 21.156 10.307 ( 16.875 13.214 -1.399) 21.478 11.000 ( 4.763 -3.315 -13.514) 14.707 12.752 ( -3.828 35.459 4.221) 35.914 13.450 ( 7.433 9.021 0.641) 11.707 13.803 ( 2.945 36.858 -9.244) 38.113 14.092 ( 0.628 -8.239 3.011) 8.795 15.923 ( -4.520 35.324 -6.321) 36.169 18.128 ( -5.806 11.033 0.214) 12.469 21.038 ( -4.055 0.622 2.475) 4.791 21.765 ( 2.656 -1.837 -0.730) 3.311 21.935 ( 1.405 0.139 0.529) 1.508 22.283 ( 0.234 -11.788 5.519) 13.018 23.070 ( -3.142 -9.962 -2.201) 10.675 23.846 ( -4.673 -21.093 -0.754) 21.618 ======================= Grid point 1037 (367/489) ======================= q-point: ( 0.65 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.602 ( 21.096 4.437 4.738) 22.072 6.534 ( 0.879 15.673 10.068) 18.649 6.805 ( 12.343 6.719 -3.060) 14.383 7.192 ( 6.614 13.699 -8.379) 17.367 8.157 ( 2.169 5.072 5.177) 7.565 8.636 ( 13.284 0.896 -9.508) 16.361 9.861 ( 5.711 -9.038 15.541) 18.864 10.740 ( 14.990 9.236 -9.823) 20.162 11.187 ( 22.520 3.027 1.121) 22.750 12.927 ( -9.153 23.287 -10.139) 26.998 13.706 ( 4.647 4.502 -0.688) 6.507 13.929 ( 8.416 0.355 -2.482) 8.781 14.353 ( 8.131 26.508 8.810) 29.093 16.102 ( -9.681 27.459 -6.411) 29.813 18.044 ( -12.678 4.105 -0.306) 13.330 20.965 ( -6.713 3.366 0.701) 7.542 21.737 ( -2.836 -9.212 0.198) 9.641 21.951 ( 2.302 -0.104 0.121) 2.308 22.247 ( 5.292 -6.527 5.743) 10.178 22.923 ( -4.189 -4.041 -2.813) 6.464 23.530 ( -7.591 -18.499 -0.523) 20.003 ======================= Grid point 1038 (368/489) ======================= q-point: ( 0.71 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.806 ( 1.678 -2.119 -4.028) 4.851 6.843 ( 13.488 14.921 4.134) 20.534 7.121 ( 15.446 1.237 3.143) 15.811 7.444 ( 7.884 13.619 -2.330) 15.908 8.241 ( 3.348 -0.980 14.027) 14.454 8.824 ( 9.279 2.423 -15.323) 18.077 10.046 ( 17.172 -1.009 13.406) 21.809 10.950 ( 7.927 1.853 -9.293) 12.355 11.815 ( 35.749 8.826 5.031) 37.165 12.869 ( -13.717 11.705 -16.308) 24.313 13.617 ( -4.241 -7.186 -4.526) 9.492 14.332 ( 20.019 14.608 3.333) 25.005 14.776 ( 13.759 13.249 12.011) 22.563 16.117 ( -13.914 20.443 -7.632) 25.879 17.761 ( -19.401 -3.761 -0.493) 19.768 20.883 ( -7.393 5.448 -0.134) 9.185 21.486 ( -9.141 -15.661 0.985) 18.160 22.030 ( 4.119 2.789 -0.241) 4.980 22.325 ( 7.428 -4.643 4.630) 9.909 22.837 ( -3.999 2.402 -2.693) 5.387 23.219 ( -8.070 -14.378 -0.561) 16.498 ======================= Grid point 1039 (369/489) ======================= q-point: ( 0.76 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.717 ( -3.886 -5.120 -5.839) 8.684 7.234 ( 13.369 12.133 -2.270) 18.196 7.314 ( 8.171 -4.478 0.802) 9.352 7.653 ( -1.809 11.574 5.875) 13.105 8.433 ( 17.623 -4.198 24.299) 30.309 8.937 ( 3.934 6.078 -22.555) 23.688 10.453 ( 20.936 4.895 13.133) 25.195 11.036 ( 3.685 -2.374 -7.524) 8.708 12.508 ( 23.183 5.071 4.816) 24.214 12.647 ( -6.263 2.480 -16.586) 17.901 13.468 ( -4.015 -5.340 -3.776) 7.674 14.827 ( 15.350 16.104 4.536) 22.705 15.174 ( 22.191 -3.079 11.562) 25.211 16.030 ( -13.296 17.310 -9.510) 23.809 17.292 ( -24.952 -10.473 -0.414) 27.064 20.823 ( -5.542 5.695 -0.769) 7.984 21.161 ( -10.030 -13.048 1.081) 16.493 22.143 ( 4.857 4.337 -0.149) 6.513 22.413 ( 6.495 -4.938 3.719) 8.966 22.786 ( -7.213 4.749 -2.536) 9.000 22.979 ( -4.158 -8.720 -0.574) 9.678 ======================= Grid point 1053 (370/489) ======================= q-point: ( 0.59 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.005 ( 0.000 6.136 10.479) 12.143 6.578 ( 0.000 19.779 21.206) 28.998 6.693 ( -0.000 2.717 -6.355) 6.911 7.010 ( -0.000 13.392 -19.922) 24.005 8.186 ( 0.000 0.785 10.639) 10.668 8.237 ( -0.000 7.475 -15.675) 17.366 9.861 ( 0.000 -12.639 19.391) 23.147 10.248 ( -0.000 9.663 -0.820) 9.697 10.904 ( -0.000 -0.701 -12.637) 12.657 13.099 ( -0.000 26.133 -8.913) 27.611 13.421 ( 0.000 3.745 0.428) 3.769 13.900 ( -0.000 -7.913 -9.027) 12.004 14.275 ( 0.000 35.690 11.310) 37.439 16.286 ( -0.000 29.496 -4.679) 29.864 18.279 ( -0.000 7.830 -1.829) 8.041 21.112 ( 0.000 5.116 1.237) 5.263 21.725 ( -0.000 -1.012 -0.762) 1.267 21.932 ( 0.000 0.811 0.620) 1.021 22.156 ( 0.000 -14.755 7.306) 16.465 23.006 ( -0.000 -6.236 -3.243) 7.029 23.676 ( -0.000 -19.858 -0.503) 19.864 ======================= Grid point 1054 (371/489) ======================= q-point: ( 0.65 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.267 ( 19.639 3.221 8.917) 21.808 6.628 ( -1.963 -2.741 -12.993) 13.423 6.820 ( 0.527 15.969 20.819) 26.243 7.167 ( 7.579 10.552 -12.604) 18.101 8.204 ( 0.201 4.743 6.020) 7.667 8.407 ( 10.625 3.749 -8.915) 14.367 9.749 ( -0.475 -11.593 16.490) 20.163 10.515 ( 18.041 7.813 -1.634) 19.728 10.932 ( 6.551 0.670 -6.889) 9.531 13.225 ( -5.729 15.783 -18.191) 24.756 13.582 ( 12.555 4.225 -0.588) 13.260 13.766 ( -0.486 -10.867 -8.518) 13.816 14.646 ( -0.570 29.005 18.047) 34.166 16.487 ( -5.835 22.137 -4.147) 23.265 18.261 ( -7.659 2.482 -3.535) 8.793 21.136 ( -5.213 8.281 0.285) 9.790 21.706 ( -1.964 -4.725 0.028) 5.117 21.919 ( -0.044 -2.123 1.371) 2.528 22.083 ( 5.679 -9.541 6.224) 12.728 22.942 ( -1.798 -0.964 -3.381) 3.949 23.452 ( -3.917 -16.378 -0.454) 16.846 ======================= Grid point 1055 (372/489) ======================= q-point: ( 0.71 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.646 ( 14.792 -1.408 0.890) 14.885 6.633 ( 12.898 -2.531 -9.173) 16.029 7.025 ( 3.820 8.662 12.645) 15.796 7.409 ( 9.817 9.980 -0.555) 14.010 8.259 ( -1.016 0.050 11.496) 11.541 8.611 ( 11.670 2.284 -13.349) 17.878 9.784 ( 11.510 -4.934 15.247) 19.731 10.838 ( 7.833 5.980 -9.812) 13.907 11.249 ( 31.542 0.584 4.276) 31.836 13.138 ( -11.409 5.417 -24.029) 27.146 13.584 ( -2.469 -7.677 -8.567) 11.766 13.980 ( 24.628 1.822 0.834) 24.709 14.908 ( -1.406 16.457 20.782) 26.546 16.515 ( -11.095 15.128 -4.271) 19.240 18.041 ( -15.665 -3.055 -4.382) 16.550 21.103 ( -8.375 8.819 -0.481) 12.172 21.505 ( -8.849 -11.890 1.909) 14.944 21.977 ( 4.792 2.416 0.441) 5.385 22.146 ( 7.760 -5.898 4.545) 10.755 22.916 ( -1.896 3.643 -2.636) 4.880 23.216 ( -6.690 -10.718 -0.817) 12.661 ======================= Grid point 1056 (373/489) ======================= q-point: (-0.24 -0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.694 ( -0.951 -5.495 -8.628) 10.274 6.967 ( 22.773 -2.743 -0.522) 22.944 7.189 ( 5.728 4.336 2.331) 7.553 7.719 ( 11.595 10.204 9.168) 17.961 8.231 ( 0.985 -7.708 19.202) 20.715 8.789 ( 10.187 1.930 -18.878) 21.538 10.118 ( 22.493 1.080 15.996) 27.622 10.949 ( 3.410 3.136 -9.680) 10.731 11.917 ( 39.618 -1.540 4.979) 39.959 12.826 ( -15.272 -6.724 -24.940) 30.008 13.467 ( -2.627 -3.155 -7.679) 8.707 14.488 ( 30.279 0.131 1.455) 30.314 15.035 ( -0.104 2.907 19.146) 19.366 16.402 ( -13.922 9.361 -4.326) 17.325 17.641 ( -22.662 -5.932 -4.375) 23.831 20.997 ( -9.244 -0.318 -1.626) 9.392 21.262 ( -9.805 -0.237 2.426) 10.103 22.089 ( 4.694 2.013 0.177) 5.110 22.249 ( 8.175 -3.443 3.779) 9.641 22.924 ( -0.664 1.342 -1.567) 2.167 23.004 ( -9.554 -0.714 -1.629) 9.718 ======================= Grid point 1071 (374/489) ======================= q-point: ( 0.65 0.65 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.121 ( 0.000 0.421 10.125) 10.134 6.566 ( -0.000 -7.933 -10.491) 13.153 7.049 ( 0.000 13.343 23.439) 26.971 7.116 ( -0.000 6.320 -20.667) 21.612 8.238 ( 0.000 -0.398 10.398) 10.405 8.364 ( -0.000 9.021 -9.881) 13.380 9.689 ( 0.000 -10.614 16.738) 19.819 10.380 ( -0.000 3.487 -0.330) 3.503 10.893 ( -0.000 3.800 -7.385) 8.306 13.357 ( -0.000 7.727 -24.320) 25.518 13.471 ( -0.000 1.011 -0.165) 1.024 13.642 ( -0.000 -10.807 -10.913) 15.359 14.960 ( 0.000 19.884 23.147) 30.515 16.719 ( -0.000 14.455 -2.511) 14.672 18.325 ( -0.000 -1.276 -6.679) 6.800 21.284 ( -0.000 9.670 0.023) 9.670 21.710 ( -0.000 -0.142 -0.619) 0.635 21.876 ( 0.000 -14.643 8.060) 16.715 21.944 ( 0.000 0.087 0.589) 0.595 22.954 ( -0.000 1.769 -3.157) 3.619 23.344 ( -0.000 -10.656 -0.538) 10.670 ======================= Grid point 1072 (375/489) ======================= q-point: (-0.29 -0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.313 ( 18.105 -2.774 8.310) 20.113 6.437 ( 0.472 -8.691 -11.167) 14.158 7.098 ( -0.322 4.674 -1.021) 4.795 7.314 ( 9.271 6.064 6.302) 12.745 8.270 ( 1.147 -2.769 11.113) 11.510 8.471 ( 5.638 5.715 -9.889) 12.737 9.646 ( 2.400 -4.802 15.352) 16.264 10.605 ( 20.578 1.415 -1.129) 20.658 10.953 ( 3.993 4.283 -3.833) 6.998 13.234 ( -6.646 -7.921 -28.470) 30.289 13.527 ( -0.576 -2.589 -9.151) 9.528 13.619 ( 14.873 -1.355 -0.739) 14.952 15.134 ( -2.686 7.463 24.093) 25.365 16.769 ( -5.683 6.403 -1.239) 8.650 18.201 ( -8.329 -4.818 -8.599) 12.904 21.296 ( -5.806 1.023 -0.641) 5.930 21.589 ( -8.655 -1.598 2.636) 9.188 21.901 ( 7.338 0.791 3.647) 8.232 21.983 ( 4.448 -2.844 1.661) 5.535 22.955 ( -0.774 0.249 -2.736) 2.854 23.252 ( -3.846 0.540 -0.753) 3.956 ======================= Grid point 1073 (376/489) ======================= q-point: (-0.24 -0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.562 ( 9.329 -6.290 -1.360) 11.333 6.494 ( 19.884 -7.138 -3.070) 21.348 7.156 ( 3.165 1.779 -0.694) 3.697 7.555 ( 12.637 0.364 8.865) 15.441 8.238 ( -1.991 -7.260 12.963) 14.991 8.607 ( 7.308 2.531 -13.028) 15.151 9.818 ( 15.502 1.147 15.453) 21.918 10.925 ( 6.041 7.259 -9.019) 13.059 11.228 ( 31.050 -4.633 5.666) 31.900 12.865 ( -10.525 -19.475 -27.584) 35.368 13.479 ( -2.374 1.727 -10.382) 10.789 13.963 ( 25.607 -3.376 0.436) 25.832 15.130 ( -4.466 -5.628 21.538) 22.705 16.654 ( -9.862 -0.966 0.012) 9.909 17.908 ( -15.699 -5.959 -8.765) 18.942 21.096 ( -8.883 -10.293 -1.048) 13.636 21.504 ( -8.331 11.585 2.373) 14.465 22.022 ( 3.696 -1.276 0.530) 3.946 22.089 ( 8.831 1.908 4.156) 9.945 22.909 ( -1.552 -3.794 -2.831) 4.982 23.221 ( -7.044 11.965 -0.714) 13.902 ======================= Grid point 1089 (377/489) ======================= q-point: (-0.29 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.113 ( 0.000 -5.906 9.978) 11.595 6.328 ( -0.000 -10.170 -6.374) 12.002 7.077 ( -0.000 -0.192 -20.942) 20.943 7.309 ( 0.000 1.277 19.457) 19.499 8.266 ( 0.000 -1.775 10.345) 10.496 8.428 ( -0.000 0.299 -7.871) 7.877 9.644 ( 0.000 -1.031 15.115) 15.150 10.383 ( -0.000 -3.038 -0.236) 3.047 10.995 ( -0.000 9.303 -3.503) 9.941 13.060 ( -0.000 -23.073 -27.803) 36.130 13.460 ( -0.000 -1.929 -0.458) 1.983 13.527 ( -0.000 3.826 -11.835) 12.439 15.230 ( 0.000 -5.203 23.603) 24.170 16.836 ( 0.000 -3.002 1.229) 3.244 18.192 ( -0.000 -6.627 -11.364) 13.156 21.290 ( -0.000 -11.586 -0.284) 11.589 21.713 ( -0.000 0.722 -0.547) 0.906 21.853 ( 0.000 11.244 8.158) 13.892 21.940 ( 0.000 -0.650 0.520) 0.833 22.942 ( -0.000 -1.983 -3.605) 4.114 23.354 ( -0.000 12.025 -0.310) 12.029 ======================= Grid point 1090 (378/489) ======================= q-point: (-0.24 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.231 ( 16.805 -9.059 7.981) 20.692 6.218 ( 2.258 -8.629 -3.801) 9.696 7.066 ( 4.920 -2.514 -13.774) 14.840 7.378 ( 6.111 -6.901 13.889) 16.670 8.221 ( -2.741 -5.618 7.850) 10.035 8.481 ( 6.887 -1.028 -7.987) 10.596 9.701 ( 4.009 2.077 13.871) 14.587 10.552 ( 22.523 -6.379 0.139) 23.409 11.101 ( 0.012 11.992 -0.996) 12.033 12.672 ( -4.573 -31.353 -25.835) 40.882 13.522 ( 0.307 1.756 -10.319) 10.472 13.575 ( 12.300 0.101 -2.543) 12.561 15.133 ( -3.233 -18.209 20.551) 27.647 16.722 ( -4.683 -11.619 2.891) 12.856 18.023 ( -7.639 -7.077 -11.479) 15.499 21.100 ( -5.240 -13.391 -0.822) 14.404 21.708 ( -2.064 5.396 0.349) 5.788 21.947 ( 1.872 -1.281 0.843) 2.420 22.055 ( 3.814 12.391 7.305) 14.881 22.905 ( -1.581 -0.380 -4.722) 4.994 23.474 ( -4.093 17.904 0.052) 18.366 ======================= Grid point 1107 (379/489) ======================= q-point: (-0.24 -0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.970 ( 0.000 -12.767 9.582) 15.963 6.130 ( 0.000 -7.990 3.092) 8.567 6.925 ( -0.000 -4.849 -20.431) 20.998 7.249 ( 0.000 -15.733 14.705) 21.536 8.256 ( 0.000 -4.299 10.740) 11.569 8.330 ( -0.000 -3.404 -13.351) 13.778 9.726 ( 0.000 0.468 12.907) 12.916 10.256 ( -0.000 -9.199 -0.596) 9.218 11.257 ( 0.000 16.775 1.086) 16.810 12.288 ( -0.000 -39.698 -22.666) 45.713 13.393 ( -0.000 -4.266 -0.291) 4.276 13.587 ( -0.000 7.290 -13.561) 15.396 14.960 ( 0.000 -30.057 17.585) 34.823 16.602 ( 0.000 -21.114 4.068) 21.502 17.985 ( -0.000 -7.820 -11.307) 13.748 21.004 ( -0.000 -13.417 -1.258) 13.476 21.733 ( -0.000 1.402 -0.608) 1.528 21.923 ( 0.000 -1.249 0.444) 1.326 22.215 ( 0.000 16.843 10.089) 19.633 22.931 ( -0.000 4.814 -6.369) 7.984 23.714 ( 0.000 21.286 0.398) 21.289 ======================= Grid point 1234 (380/489) ======================= q-point: ( 0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 0.000 0.000 56.333) 56.333 1.651 ( 0.000 0.000 56.333) 56.333 3.131 ( 0.000 0.000 108.792) 108.792 4.586 ( -0.000 -0.000 -29.055) 29.055 4.586 ( -0.000 -0.000 -29.055) 29.055 7.730 ( 0.000 0.000 12.006) 12.006 7.730 ( 0.000 0.000 12.006) 12.006 8.437 ( -0.000 -0.000 -5.645) 5.645 8.437 ( -0.000 -0.000 -5.645) 5.645 9.198 ( -0.000 -0.000 -71.209) 71.209 11.226 ( 0.000 0.000 3.595) 3.595 12.790 ( -0.000 -0.000 -0.330) 0.330 12.790 ( -0.000 -0.000 -0.330) 0.330 15.014 ( 0.000 0.000 25.368) 25.368 17.791 ( -0.000 -0.000 -5.323) 5.323 21.723 ( -0.000 -0.000 -0.536) 0.536 21.723 ( -0.000 -0.000 -0.536) 0.536 21.959 ( 0.000 0.000 0.207) 0.207 21.959 ( 0.000 0.000 0.207) 0.207 25.364 ( 0.000 0.000 1.737) 1.737 25.706 ( -0.000 -0.000 -1.646) 1.646 ======================= Grid point 1235 (381/489) ======================= q-point: ( 0.29 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 22.614 13.056 48.294) 54.901 2.188 ( 30.809 17.788 45.866) 58.046 3.929 ( 43.547 25.142 89.402) 102.573 4.600 ( 8.255 4.766 -30.375) 31.836 4.850 ( 25.105 14.494 -32.090) 43.245 7.773 ( 0.388 0.224 10.657) 10.666 7.854 ( 5.799 3.348 13.253) 14.849 8.430 ( 1.703 0.983 -7.264) 7.525 8.597 ( 13.321 7.691 -8.536) 17.592 9.167 ( 16.153 9.326 -56.568) 59.564 11.020 ( -10.363 -5.983 14.650) 18.916 12.820 ( 2.213 1.278 -0.273) 2.570 13.288 ( 26.045 15.037 -25.545) 39.460 15.242 ( 15.594 9.003 16.087) 24.146 17.279 ( -33.997 -19.628 0.937) 39.267 21.653 ( -7.027 -4.057 6.334) 10.293 21.723 ( 0.364 0.210 -0.429) 0.600 21.950 ( -0.736 -0.425 0.153) 0.863 22.145 ( 13.247 7.648 4.072) 15.829 25.287 ( -8.584 -4.956 3.677) 10.571 25.582 ( -6.829 -3.943 -4.517) 9.088 ======================= Grid point 1236 (382/489) ======================= q-point: ( 0.35 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( 29.536 17.053 37.824) 50.930 3.110 ( 38.374 22.155 30.604) 53.851 4.801 ( 14.137 8.162 -29.362) 33.594 5.350 ( 54.044 31.202 60.535) 86.942 5.478 ( 35.102 20.266 -33.356) 52.492 7.803 ( 2.110 1.218 16.084) 16.267 8.037 ( 6.081 3.511 13.177) 14.931 8.511 ( 7.715 4.454 -8.251) 12.143 8.995 ( 23.709 13.688 -16.585) 32.009 9.728 ( 36.116 20.851 -31.775) 52.429 10.915 ( -0.042 -0.024 6.723) 6.724 12.889 ( 3.639 2.101 -0.175) 4.205 13.578 ( 4.258 2.459 -16.800) 17.504 15.797 ( 27.920 16.119 -0.364) 32.241 16.475 ( -32.202 -18.592 -1.043) 37.199 21.491 ( -8.396 -4.847 17.010) 19.579 21.738 ( 0.967 0.558 -0.114) 1.123 21.926 ( -1.312 -0.757 0.039) 1.515 22.451 ( 10.511 6.069 4.788) 13.047 24.966 ( -17.847 -10.304 1.925) 20.698 25.426 ( -6.337 -3.659 -6.334) 9.678 ======================= Grid point 1237 (383/489) ======================= q-point: ( 0.41 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.608 ( 29.139 16.823 29.034) 44.442 4.094 ( 40.147 23.179 15.456) 48.866 5.095 ( 15.807 9.126 -24.923) 30.892 6.009 ( 22.536 13.011 -38.333) 46.331 6.714 ( 38.346 22.139 41.964) 61.004 8.121 ( 25.469 14.704 30.847) 42.619 8.173 ( 3.699 2.136 7.024) 8.221 8.774 ( 15.388 8.884 -4.147) 18.246 9.640 ( 32.407 18.710 -10.635) 38.903 10.458 ( 25.926 14.969 -11.629) 32.116 11.150 ( 23.516 13.577 -19.696) 33.545 12.986 ( 4.528 2.614 -0.041) 5.228 13.548 ( -1.432 -0.827 -3.079) 3.495 15.768 ( -25.327 -14.623 -7.844) 30.279 16.487 ( 28.158 16.257 -1.894) 32.569 21.346 ( -7.738 -4.467 20.601) 22.455 21.766 ( 1.311 0.757 0.271) 1.538 21.891 ( -1.558 -0.900 -0.094) 1.802 22.641 ( 4.846 2.798 3.142) 6.418 24.511 ( -20.315 -11.729 -1.463) 23.503 25.222 ( -10.126 -5.846 -4.862) 12.663 ======================= Grid point 1238 (384/489) ======================= q-point: ( 0.47 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.304 ( 24.718 14.271 18.518) 34.024 5.046 ( 38.709 22.349 1.914) 44.738 5.416 ( 15.615 9.015 -14.996) 23.452 6.347 ( 14.509 8.377 -35.208) 38.991 7.267 ( 7.231 4.175 32.342) 33.403 8.264 ( 3.541 2.044 0.637) 4.138 9.150 ( 47.571 27.465 34.288) 64.754 9.172 ( 18.109 10.455 -0.673) 20.922 10.282 ( 18.966 10.950 10.112) 24.122 11.027 ( 27.496 15.875 -13.113) 34.351 11.739 ( 28.775 16.613 -38.859) 51.127 13.099 ( 4.994 2.883 0.117) 5.768 13.671 ( 13.533 7.813 11.377) 19.329 15.242 ( -16.476 -9.512 -11.953) 22.468 17.098 ( 23.576 13.611 0.189) 27.223 21.221 ( -6.839 -3.948 18.167) 19.809 21.791 ( 0.303 0.175 0.507) 0.616 21.863 ( -0.434 -0.250 -0.141) 0.521 22.701 ( 0.188 0.109 0.492) 0.538 24.025 ( -20.382 -11.767 -2.007) 23.620 24.926 ( -14.156 -8.173 -3.339) 16.683 ======================= Grid point 1239 (385/489) ======================= q-point: ( 0.53 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.829 ( 17.382 10.035 3.498) 20.373 5.770 ( 16.066 9.276 1.312) 18.598 5.901 ( 34.400 19.861 -9.659) 40.879 6.553 ( 9.043 5.221 -23.678) 25.878 7.427 ( 2.718 1.569 27.890) 28.066 8.341 ( 3.116 1.799 -3.670) 5.139 9.592 ( 17.156 9.905 0.591) 19.819 10.141 ( 24.575 14.188 20.804) 35.185 10.698 ( 16.771 9.683 5.041) 20.011 11.389 ( 7.689 4.439 2.005) 9.102 12.548 ( 48.184 27.819 -34.209) 65.314 13.218 ( 5.038 2.909 0.271) 5.824 14.073 ( 8.303 4.794 20.705) 22.817 15.074 ( 10.593 6.116 -17.990) 21.755 17.587 ( 17.621 10.173 3.756) 20.690 21.115 ( -4.996 -2.884 12.222) 13.515 21.773 ( -1.497 -0.864 0.300) 1.755 21.880 ( 1.453 0.839 0.111) 1.681 22.666 ( -2.657 -1.534 -2.526) 3.975 23.554 ( -19.365 -11.180 0.221) 22.362 24.547 ( -17.334 -10.008 -2.169) 20.133 ======================= Grid point 1240 (386/489) ======================= q-point: ( 0.59 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.140 ( 10.105 5.834 -9.042) 14.762 6.167 ( 15.415 8.900 15.534) 23.626 6.546 ( 14.941 8.626 -6.439) 18.415 6.698 ( 14.353 8.287 -22.076) 27.605 7.599 ( 7.873 4.546 21.842) 23.659 8.387 ( 1.726 0.996 -6.239) 6.550 9.961 ( 13.817 7.977 0.754) 15.972 10.479 ( 6.029 3.481 16.398) 17.815 10.721 ( -10.443 -6.029 -26.382) 29.007 11.912 ( 28.673 16.555 32.103) 46.118 13.331 ( 4.428 2.557 0.384) 5.128 13.569 ( 33.572 19.383 -14.989) 41.562 14.109 ( 4.903 2.831 2.131) 6.050 15.608 ( 29.954 17.294 -8.467) 35.609 17.945 ( 11.755 6.787 6.737) 15.153 21.060 ( -1.048 -0.605 5.784) 5.909 21.738 ( -1.420 -0.820 0.302) 1.668 21.915 ( 1.412 0.815 0.012) 1.630 22.569 ( -5.042 -2.911 -7.020) 9.120 23.134 ( -16.131 -9.313 4.896) 19.260 24.113 ( -18.911 -10.919 -1.295) 21.875 ======================= Grid point 1241 (387/489) ======================= q-point: ( 0.65 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.282 ( 4.602 2.657 -13.866) 14.850 6.535 ( 11.645 6.723 21.716) 25.542 6.575 ( -4.079 -2.355 4.456) 6.484 7.108 ( 17.565 10.141 -25.619) 32.676 7.906 ( 13.814 7.976 13.860) 21.132 8.394 ( 0.380 0.219 -7.539) 7.552 10.232 ( 8.907 5.142 0.508) 10.297 10.326 ( -15.246 -8.803 -21.332) 27.659 10.631 ( 4.159 2.401 10.955) 11.961 12.587 ( 20.342 11.745 30.136) 38.209 13.421 ( 2.958 1.708 0.435) 3.443 13.668 ( -8.905 -5.141 11.841) 15.682 14.747 ( 35.214 20.331 -25.755) 48.132 16.239 ( 23.254 13.426 -0.520) 26.857 18.162 ( 4.910 2.835 8.472) 10.195 21.113 ( 5.173 2.987 1.134) 6.080 21.711 ( -0.842 -0.486 0.424) 1.060 21.942 ( 0.834 0.481 -0.273) 1.001 22.350 ( -12.450 -7.188 -10.173) 17.612 22.887 ( -5.010 -2.892 7.697) 9.629 23.675 ( -17.539 -10.126 -0.457) 20.258 ======================= Grid point 1242 (388/489) ======================= q-point: ( 0.71 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.297 ( -0.434 -0.250 -14.339) 14.347 6.453 ( -6.833 -3.945 5.847) 9.820 6.797 ( 5.961 3.442 23.174) 24.174 7.365 ( 9.200 5.312 -20.345) 22.952 8.238 ( 10.467 6.043 7.176) 14.056 8.375 ( -0.337 -0.194 -8.305) 8.314 9.956 ( -10.895 -6.290 -20.461) 24.020 10.375 ( 3.169 1.830 0.277) 3.670 10.765 ( 5.511 3.182 10.726) 12.472 12.962 ( 4.798 2.770 28.497) 29.030 13.467 ( 0.758 0.438 0.427) 0.974 13.486 ( -7.668 -4.427 11.002) 14.123 15.319 ( 17.007 9.819 -25.936) 32.532 16.675 ( 13.114 7.571 3.868) 15.629 18.206 ( -2.751 -1.588 9.476) 9.994 21.290 ( 8.073 4.661 -0.735) 9.351 21.701 ( -0.098 -0.057 0.556) 0.567 21.952 ( 0.095 0.055 -0.527) 0.538 21.997 ( -13.012 -7.512 -8.489) 17.257 22.899 ( 2.802 1.618 4.399) 5.461 23.335 ( -9.657 -5.576 0.635) 11.169 ======================= Grid point 1243 (389/489) ======================= q-point: (-0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.194 ( -5.701 -3.291 -12.707) 14.311 6.296 ( -7.245 -4.183 2.876) 8.847 6.923 ( 0.260 0.150 22.499) 22.501 7.438 ( 0.124 0.071 -17.038) 17.039 8.336 ( -1.340 -0.774 -9.317) 9.444 8.371 ( -0.556 -0.321 8.002) 8.028 9.760 ( -1.967 -1.136 -17.497) 17.644 10.381 ( -2.672 -1.543 0.302) 3.100 10.961 ( 9.793 5.654 6.250) 12.921 12.867 ( -18.571 -10.722 26.203) 33.859 13.445 ( 2.382 1.375 11.221) 11.553 13.457 ( -1.670 -0.964 0.375) 1.965 15.393 ( -5.882 -3.396 -22.319) 23.329 16.835 ( -1.110 -0.641 1.651) 2.090 18.112 ( -6.324 -3.651 10.877) 13.100 21.289 ( -10.073 -5.816 -0.039) 11.631 21.709 ( 0.633 0.366 0.628) 0.964 21.915 ( 9.762 5.636 -9.394) 14.673 21.944 ( -0.592 -0.342 -0.597) 0.907 22.914 ( -2.308 -1.333 4.229) 4.999 23.350 ( 10.731 6.195 0.601) 12.405 ======================= Grid point 1252 (390/489) ======================= q-point: ( 0.29 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 0.000 20.362 48.420) 52.528 2.369 ( 0.000 35.067 48.498) 59.848 4.154 ( 0.000 49.163 88.258) 101.027 4.608 ( -0.000 14.475 -30.974) 34.190 4.679 ( -0.000 21.894 -32.165) 38.909 7.773 ( 0.000 0.494 12.463) 12.473 7.921 ( 0.000 8.472 8.916) 12.299 8.467 ( -0.000 5.093 -6.027) 7.891 8.511 ( -0.000 9.163 -14.036) 16.763 9.046 ( -0.000 24.348 -55.225) 60.354 11.059 ( 0.000 -10.966 12.571) 16.682 12.804 ( -0.000 1.835 -0.192) 1.845 13.233 ( -0.000 27.782 -20.803) 34.707 15.281 ( 0.000 16.000 16.742) 23.159 17.283 ( -0.000 -38.351 -0.718) 38.358 21.657 ( 0.000 -6.928 5.093) 8.599 21.732 ( -0.000 0.908 -0.484) 1.029 21.954 ( 0.000 -0.712 0.145) 0.726 22.157 ( 0.000 16.160 3.482) 16.531 25.291 ( 0.000 -10.371 4.067) 11.140 25.571 ( -0.000 -8.379 -4.520) 9.521 ======================= Grid point 1253 (391/489) ======================= q-point: ( 0.35 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( 21.941 23.757 39.556) 51.093 2.996 ( 16.677 35.173 39.796) 55.669 4.705 ( 3.570 18.947 -30.912) 36.432 5.090 ( 23.334 22.686 -35.958) 48.498 5.202 ( 29.440 57.276 71.658) 96.344 7.818 ( 0.938 0.689 11.615) 11.673 8.071 ( 3.278 12.161 10.788) 16.584 8.487 ( 0.394 7.980 -12.300) 14.667 8.731 ( 15.942 11.825 -17.665) 26.572 9.455 ( 18.803 39.738 -34.496) 55.880 10.956 ( -3.264 -4.429 9.401) 10.893 12.859 ( 2.952 2.976 -0.122) 4.193 13.485 ( 6.207 9.929 -17.400) 20.973 15.636 ( 13.851 23.715 5.704) 28.050 16.686 ( -20.011 -33.712 -2.028) 39.256 21.565 ( -3.716 -7.663 12.288) 14.950 21.742 ( 0.102 1.518 -0.232) 1.539 21.939 ( -0.731 -0.842 0.055) 1.116 22.397 ( 6.570 12.500 4.545) 14.835 25.072 ( -9.323 -17.742 3.592) 20.361 25.450 ( -3.444 -5.719 -6.362) 9.222 ======================= Grid point 1254 (392/489) ======================= q-point: ( 0.41 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.447 ( 25.371 26.415 30.975) 47.968 3.808 ( 27.208 31.476 24.915) 48.495 4.939 ( 8.900 17.528 -27.871) 34.106 5.647 ( 24.599 16.846 -36.094) 46.815 6.507 ( 33.830 47.182 49.589) 76.352 7.972 ( 12.328 8.345 20.729) 25.521 8.260 ( -1.419 12.461 10.635) 16.444 8.663 ( 10.599 14.588 -8.378) 19.883 9.249 ( 29.034 19.975 -17.211) 39.220 10.201 ( 24.797 34.416 -19.381) 46.636 10.972 ( 6.369 6.327 -5.815) 10.696 12.957 ( 3.599 4.733 -0.093) 5.947 13.539 ( 0.091 -0.678 -6.390) 6.427 15.993 ( -22.078 -22.160 -7.088) 32.074 16.225 ( 22.068 21.912 0.065) 31.098 21.444 ( -5.167 -7.317 17.416) 19.584 21.768 ( 0.595 2.218 0.179) 2.303 21.913 ( -1.338 -0.552 -0.044) 1.448 22.604 ( 4.615 5.815 3.952) 8.410 24.667 ( -14.831 -18.664 -0.171) 23.840 25.286 ( -6.487 -7.570 -5.159) 11.225 ======================= Grid point 1255 (393/489) ======================= q-point: ( 0.47 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.203 ( 20.459 28.796 22.059) 41.646 4.676 ( 31.942 27.244 9.543) 43.054 5.224 ( 12.146 12.827 -19.510) 26.320 6.095 ( 18.091 14.110 -35.066) 41.905 7.279 ( 8.600 13.743 30.080) 34.170 8.335 ( -3.191 10.717 3.053) 11.592 8.743 ( 41.054 31.190 35.099) 62.372 9.060 ( 13.530 20.150 -0.825) 24.285 10.001 ( 30.707 19.259 -2.249) 36.316 10.783 ( 16.862 20.971 -8.425) 28.197 11.356 ( 23.940 17.707 -32.830) 44.322 13.077 ( 3.482 6.427 0.037) 7.310 13.578 ( 6.698 4.787 5.439) 9.867 15.409 ( -18.669 -15.906 -9.459) 26.287 16.841 ( 22.671 18.364 -0.588) 29.182 21.316 ( -5.651 -7.135 17.250) 19.504 21.804 ( 0.261 2.661 0.562) 2.732 21.885 ( -1.472 0.353 -0.115) 1.518 22.693 ( 1.135 0.648 1.744) 2.179 24.199 ( -16.573 -17.447 -1.992) 24.146 25.035 ( -10.283 -10.632 -3.587) 15.220 ======================= Grid point 1256 (394/489) ======================= q-point: ( 0.53 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.817 ( 10.660 29.306 6.421) 31.839 5.487 ( 27.862 16.031 -0.109) 32.145 5.569 ( 20.567 14.436 -5.819) 25.793 6.421 ( 11.558 13.971 -28.182) 33.511 7.483 ( 1.423 3.608 26.904) 27.182 8.390 ( -2.435 9.674 -1.081) 10.034 9.491 ( 12.273 19.941 2.325) 23.531 9.886 ( 35.725 30.072 23.219) 52.151 10.533 ( 14.612 8.694 11.624) 20.597 11.268 ( 13.139 8.955 -4.173) 16.440 11.965 ( 38.262 27.027 -39.963) 61.575 13.210 ( 3.078 8.133 0.394) 8.704 13.957 ( 18.264 12.356 17.702) 28.277 15.013 ( -6.891 -5.678 -15.913) 18.247 17.370 ( 19.448 12.010 2.064) 22.951 21.184 ( -5.111 -6.761 12.883) 15.421 21.813 ( -2.109 1.700 0.506) 2.756 21.887 ( 0.147 2.580 0.122) 2.587 22.677 ( -1.542 -2.563 -0.994) 3.152 23.733 ( -16.492 -15.774 -0.986) 22.842 24.694 ( -13.599 -13.276 -2.320) 19.146 ======================= Grid point 1257 (395/489) ======================= q-point: ( 0.59 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.190 ( 1.449 25.146 -9.887) 27.059 5.931 ( 18.801 3.448 17.537) 25.940 6.246 ( 27.822 19.527 -15.325) 37.286 6.658 ( 5.347 13.681 -17.441) 22.802 7.610 ( 2.751 4.864 24.524) 25.152 8.437 ( -2.598 9.118 -4.431) 10.465 9.879 ( 9.494 16.295 3.417) 19.166 10.496 ( 6.802 14.334 3.352) 16.217 10.756 ( -1.551 0.112 -9.699) 9.823 11.641 ( 25.646 12.247 27.917) 39.838 13.007 ( 47.667 30.491 -28.299) 63.266 13.351 ( 2.350 10.282 0.873) 10.584 14.177 ( -5.465 -2.339 16.004) 17.072 15.217 ( 27.880 14.018 -13.503) 34.002 17.777 ( 15.373 5.957 4.824) 17.178 21.073 ( -2.505 -5.543 7.034) 9.299 21.784 ( -2.931 1.795 0.402) 3.460 21.922 ( 0.183 2.889 0.186) 2.901 22.593 ( -3.322 -3.997 -4.516) 6.885 23.303 ( -15.041 -13.576 2.335) 20.396 24.285 ( -15.815 -14.868 -1.406) 21.752 ======================= Grid point 1258 (396/489) ======================= q-point: ( 0.65 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.369 ( -3.205 19.938 -14.411) 24.809 6.283 ( 13.240 -1.823 21.961) 25.708 6.789 ( 5.167 16.395 0.118) 17.190 6.833 ( 15.251 12.827 -25.334) 32.233 7.828 ( 8.557 8.638 18.303) 21.973 8.455 ( -3.961 8.288 -6.771) 11.412 10.131 ( 3.551 3.848 1.242) 5.382 10.500 ( -7.814 1.260 -22.862) 24.194 10.730 ( -3.954 14.555 11.514) 18.975 12.350 ( 27.063 10.887 31.144) 42.672 13.469 ( 0.426 10.453 0.834) 10.495 13.770 ( 1.715 2.865 5.102) 6.098 14.279 ( 29.055 17.843 -19.161) 39.112 15.887 ( 30.147 11.853 -2.924) 32.525 18.054 ( 10.663 0.305 6.719) 12.607 21.039 ( 3.040 -3.196 2.321) 4.985 21.751 ( -2.894 1.528 0.455) 3.304 21.944 ( -0.240 1.458 -0.228) 1.495 22.444 ( -7.565 -5.034 -8.917) 12.731 22.974 ( -8.997 -8.514 6.636) 14.053 23.845 ( -16.065 -14.684 -0.670) 21.775 ======================= Grid point 1259 (397/489) ======================= q-point: ( 0.71 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.427 ( -6.927 15.745 -13.508) 21.872 6.423 ( 1.964 -5.481 16.671) 17.658 6.927 ( -0.974 12.503 8.191) 14.979 7.204 ( 12.728 11.490 -20.179) 26.481 8.142 ( 11.225 9.374 10.087) 17.766 8.431 ( -5.171 5.956 -7.902) 11.165 9.989 ( -8.671 -8.348 -15.873) 19.920 10.503 ( -1.827 14.625 -0.804) 14.760 10.830 ( -3.760 13.366 7.373) 15.721 12.870 ( 15.389 2.285 28.786) 32.721 13.543 ( -3.363 3.957 5.927) 7.881 13.648 ( -9.903 3.825 6.235) 12.311 14.979 ( 27.432 14.028 -26.050) 40.347 16.438 ( 21.896 5.312 2.869) 22.713 18.177 ( 4.127 -5.484 7.848) 10.426 21.139 ( 9.959 -0.579 -0.091) 9.977 21.704 ( -2.637 -2.783 0.240) 3.841 21.940 ( -0.592 -0.286 -1.463) 1.604 22.184 ( -13.001 -2.671 -7.703) 15.346 22.878 ( 1.122 -1.103 5.522) 5.741 23.447 ( -12.551 -11.870 0.212) 17.276 ======================= Grid point 1260 (398/489) ======================= q-point: (-0.24 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.382 ( -11.198 12.352 -11.052) 20.003 6.363 ( -5.794 -3.776 10.173) 12.301 7.036 ( -1.329 6.763 12.981) 14.697 7.404 ( 3.195 8.120 -15.967) 18.196 8.348 ( -4.074 0.137 -10.550) 11.310 8.405 ( 3.815 7.183 8.361) 11.664 9.759 ( -5.617 -1.135 -16.535) 17.500 10.596 ( -7.568 16.930 1.356) 18.594 10.921 ( 1.129 8.279 5.199) 9.841 13.030 ( -3.612 -9.492 28.859) 30.594 13.459 ( -2.129 -2.181 10.058) 10.509 13.614 ( -8.709 12.745 0.550) 15.446 15.307 ( 7.329 0.729 -24.631) 25.709 16.755 ( 9.753 -1.306 2.938) 10.269 18.136 ( -1.235 -9.663 9.449) 13.571 21.293 ( 3.624 -4.897 0.296) 6.099 21.606 ( 3.102 -7.662 -2.106) 8.530 21.930 ( -1.316 5.582 -4.261) 7.145 21.997 ( -6.408 2.850 -2.401) 7.413 22.933 ( 0.562 -0.379 3.267) 3.337 23.246 ( 2.517 -3.104 0.992) 4.118 ======================= Grid point 1270 (399/489) ======================= q-point: ( 0.35 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( 0.000 26.752 37.376) 45.963 3.332 ( 0.000 37.375 39.627) 54.472 4.871 ( -0.000 24.914 -30.275) 39.209 5.006 ( -0.000 24.039 -35.394) 42.785 5.780 ( 0.000 70.249 65.520) 96.061 7.843 ( 0.000 0.092 12.846) 12.847 8.221 ( 0.000 21.543 4.612) 22.032 8.590 ( -0.000 9.644 -25.636) 27.390 8.611 ( -0.000 12.119 -5.933) 13.494 9.707 ( -0.000 52.490 -28.463) 59.711 10.961 ( 0.000 -2.974 6.252) 6.923 12.861 ( 0.000 3.739 0.249) 3.747 13.499 ( -0.000 7.454 -12.508) 14.561 15.798 ( 0.000 28.197 4.333) 28.528 16.479 ( -0.000 -36.508 -4.704) 36.810 21.544 ( 0.000 -8.061 13.210) 15.475 21.754 ( -0.000 1.432 -0.369) 1.478 21.932 ( -0.000 -1.411 -0.040) 1.411 22.490 ( 0.000 12.864 4.296) 13.563 24.953 ( 0.000 -22.636 2.943) 22.826 25.400 ( -0.000 -6.955 -6.025) 9.202 ======================= Grid point 1271 (400/489) ======================= q-point: ( 0.41 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.364 ( 20.217 26.515 30.166) 44.964 3.893 ( 11.284 35.438 30.760) 48.263 5.020 ( -0.714 24.563 -28.791) 37.851 5.371 ( 18.343 21.299 -31.684) 42.356 6.777 ( 13.470 64.063 49.277) 81.938 7.924 ( 6.591 4.675 15.920) 17.854 8.484 ( -2.656 17.405 12.010) 21.313 8.647 ( 5.857 20.331 -17.707) 27.590 8.967 ( 21.083 19.453 -12.682) 31.365 10.278 ( 9.565 49.434 -22.371) 55.097 10.966 ( 0.687 5.115 -3.802) 6.410 12.941 ( 3.657 4.905 0.338) 6.127 13.524 ( 0.006 1.331 -5.179) 5.347 15.978 ( -7.832 -29.435 -3.984) 30.718 16.229 ( 6.980 28.640 -2.453) 29.580 21.471 ( -2.653 -8.176 15.733) 17.928 21.778 ( 0.849 2.017 -0.103) 2.191 21.916 ( -0.113 -1.338 -0.135) 1.349 22.626 ( 1.652 7.272 3.658) 8.306 24.649 ( -7.510 -23.443 0.461) 24.621 25.277 ( -3.477 -9.100 -4.925) 10.916 ======================= Grid point 1272 (401/489) ======================= q-point: ( 0.47 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.131 ( 26.818 27.274 21.888) 44.070 4.565 ( 18.936 31.381 18.770) 41.179 5.213 ( 2.826 21.026 -22.975) 31.272 5.850 ( 19.356 19.437 -29.493) 40.277 7.436 ( 0.315 21.259 21.264) 30.070 8.475 ( 18.114 16.386 17.015) 29.768 8.597 ( 8.773 32.056 19.536) 38.551 9.063 ( 12.026 25.709 0.150) 28.383 9.661 ( 30.993 25.516 -4.279) 40.373 10.811 ( 6.924 29.219 -9.402) 31.465 11.154 ( 11.968 20.099 -28.926) 37.201 13.079 ( 4.766 7.153 0.307) 8.601 13.556 ( 2.703 5.779 3.183) 7.130 15.483 ( -13.103 -22.535 -8.242) 27.340 16.723 ( 14.472 25.136 -0.726) 29.014 21.361 ( -4.307 -8.539 15.641) 18.333 21.824 ( 1.259 3.042 0.359) 3.312 21.902 ( -0.310 -0.472 -0.166) 0.588 22.694 ( 0.202 1.210 2.045) 2.385 24.244 ( -11.616 -21.701 -1.305) 24.649 25.063 ( -7.296 -12.342 -3.542) 14.768 ======================= Grid point 1273 (402/489) ======================= q-point: ( 0.53 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.905 ( 21.642 30.043 11.133) 38.664 5.245 ( 21.365 21.008 9.248) 31.358 5.453 ( 7.618 21.318 -13.536) 26.376 6.281 ( 15.103 17.982 -26.236) 35.211 7.585 ( -0.817 7.662 17.425) 19.053 8.564 ( -3.568 9.404 2.028) 10.260 9.535 ( 11.244 25.675 4.918) 28.457 9.650 ( 34.871 38.355 23.706) 57.001 10.388 ( 20.492 17.354 13.025) 29.845 11.157 ( 9.218 14.111 -7.408) 18.412 11.600 ( 23.578 28.854 -40.678) 55.165 13.248 ( 4.161 10.182 0.714) 11.022 13.837 ( 14.217 16.544 12.105) 24.947 15.057 ( -10.773 -13.170 -12.320) 21.007 17.202 ( 15.183 16.488 1.071) 22.439 21.222 ( -4.994 -8.778 12.188) 15.829 21.868 ( -0.855 2.941 0.687) 3.139 21.907 ( 0.795 1.976 -0.080) 2.131 22.672 ( -1.539 -3.160 0.035) 3.515 23.811 ( -13.086 -19.282 -1.122) 23.331 24.755 ( -10.727 -15.504 -2.333) 18.997 ======================= Grid point 1274 (403/489) ======================= q-point: ( 0.59 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.434 ( 2.495 27.376 -13.228) 30.507 5.716 ( 18.940 9.994 20.812) 29.862 5.986 ( 21.567 25.973 -9.045) 34.951 6.625 ( 10.429 16.312 -19.808) 27.698 7.700 ( 0.660 7.600 18.812) 20.300 8.602 ( -3.862 10.340 0.016) 11.038 9.952 ( 6.775 21.162 7.113) 23.330 10.467 ( 15.506 17.377 -10.393) 25.503 10.787 ( 5.348 15.691 12.207) 20.587 11.417 ( 16.846 7.522 16.317) 24.629 12.477 ( 41.511 37.534 -31.044) 63.998 13.434 ( 2.952 13.129 1.760) 13.571 14.254 ( 4.255 5.233 21.617) 22.645 14.917 ( 12.063 6.550 -20.317) 24.519 17.586 ( 13.821 7.535 3.142) 16.052 21.076 ( -3.978 -8.233 7.158) 11.612 21.864 ( -2.657 2.973 0.463) 4.014 21.952 ( 0.444 3.116 0.318) 3.163 22.588 ( -2.491 -5.076 -2.385) 6.137 23.397 ( -12.791 -16.625 0.849) 20.993 24.368 ( -13.130 -17.721 -1.429) 22.101 ======================= Grid point 1275 (404/489) ======================= q-point: ( 0.65 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.611 ( -2.497 17.300 -10.557) 20.420 6.176 ( 11.996 13.434 17.918) 25.405 6.572 ( 19.924 21.354 -15.840) 33.225 6.888 ( 5.676 14.403 -9.776) 18.309 7.866 ( 3.403 10.135 17.629) 20.618 8.630 ( -4.882 10.389 -3.314) 11.948 10.176 ( -1.110 5.613 4.125) 7.054 10.575 ( -2.437 8.893 -19.983) 22.008 11.023 ( -2.509 23.141 5.581) 23.936 12.035 ( 28.420 11.357 29.620) 42.591 13.460 ( 30.165 23.580 -18.371) 42.467 13.635 ( 7.368 14.844 2.698) 16.791 14.214 ( -5.619 4.565 4.878) 8.730 15.446 ( 30.536 11.792 -6.502) 33.373 17.855 ( 11.839 -0.804 4.642) 12.742 20.968 ( -0.310 -6.650 2.901) 7.262 21.836 ( -4.044 2.251 0.478) 4.653 21.971 ( -0.876 1.044 -0.014) 1.363 22.479 ( -3.757 -3.784 -5.831) 7.902 23.047 ( -9.777 -12.497 4.165) 16.405 23.940 ( -13.959 -18.120 -0.739) 22.885 ======================= Grid point 1276 (405/489) ======================= q-point: ( 0.71 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.673 ( -4.715 11.437 -5.545) 13.557 6.470 ( 1.671 13.043 14.234) 19.378 6.973 ( 7.353 12.329 -20.024) 24.638 7.129 ( 8.870 16.405 -0.514) 18.657 8.105 ( 7.020 10.695 11.498) 17.200 8.612 ( -7.253 8.472 -5.308) 12.352 10.062 ( -8.677 -1.572 -10.795) 13.939 10.648 ( -0.971 12.577 1.484) 12.701 11.196 ( -8.750 28.432 -0.128) 29.748 12.631 ( 21.539 2.900 27.971) 35.422 13.637 ( -3.834 -1.239 8.770) 9.651 13.920 ( -4.458 16.526 -0.364) 17.121 14.583 ( 26.955 20.026 -21.252) 39.740 16.044 ( 27.679 3.851 1.633) 27.993 18.002 ( 8.546 -8.504 5.329) 13.182 20.965 ( 6.300 -4.345 0.623) 7.678 21.738 ( -5.979 -5.920 -0.019) 8.414 21.960 ( -0.882 1.686 -1.011) 2.154 22.339 ( -8.181 -0.180 -7.057) 10.806 22.863 ( -1.485 -5.183 5.630) 7.795 23.527 ( -12.423 -16.002 -0.012) 20.258 ======================= Grid point 1277 (406/489) ======================= q-point: ( 0.76 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.654 ( -7.131 7.061 -1.496) 10.147 6.567 ( -9.193 13.979 9.432) 19.207 7.093 ( 2.125 5.789 -6.268) 8.792 7.434 ( 5.292 15.779 -7.443) 18.231 8.323 ( 4.659 3.524 -5.097) 7.752 8.540 ( -6.978 7.464 4.754) 11.270 9.890 ( -9.548 7.065 -14.353) 18.630 10.771 ( 1.352 8.870 8.914) 12.648 11.276 ( -15.347 29.187 -3.414) 33.152 12.952 ( 9.093 -7.448 27.763) 30.149 13.517 ( -5.427 -5.294 10.023) 12.567 13.984 ( -11.234 22.535 -0.434) 25.184 15.067 ( 15.907 6.395 -23.891) 29.406 16.484 ( 19.550 -2.279 4.606) 20.214 18.004 ( 3.964 -14.850 6.167) 16.561 21.100 ( 11.563 -3.209 0.407) 12.007 21.518 ( -5.288 -13.248 -1.793) 14.376 21.984 ( -0.122 5.049 -1.348) 5.228 22.178 ( -9.559 3.363 -4.528) 11.099 22.895 ( 4.586 0.691 3.255) 5.666 23.210 ( -6.141 -11.391 0.973) 12.977 ======================= Grid point 1288 (407/489) ======================= q-point: ( 0.41 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.504 ( 0.000 24.981 27.859) 37.419 4.224 ( 0.000 34.176 27.152) 43.649 5.297 ( -0.000 20.049 -24.772) 31.869 5.303 ( -0.000 30.032 -27.446) 40.685 7.468 ( 0.000 64.647 36.747) 74.361 7.900 ( 0.000 -0.018 12.704) 12.704 8.688 ( 0.000 13.658 4.491) 14.377 8.897 ( -0.000 17.987 -4.901) 18.643 8.903 ( -0.000 39.744 -6.971) 40.351 10.674 ( -0.000 48.663 -19.794) 52.535 11.022 ( -0.000 11.361 -11.981) 16.511 12.955 ( 0.000 5.108 0.787) 5.168 13.543 ( -0.000 4.117 -0.912) 4.217 15.722 ( -0.000 -30.495 -6.121) 31.103 16.479 ( -0.000 32.159 -1.655) 32.202 21.447 ( 0.000 -8.446 15.567) 17.710 21.786 ( -0.000 1.722 -0.240) 1.739 21.897 ( -0.000 -1.863 -0.258) 1.881 22.687 ( 0.000 4.688 2.702) 5.410 24.467 ( 0.000 -24.713 -0.094) 24.714 25.196 ( -0.000 -11.101 -4.182) 11.862 ======================= Grid point 1289 (408/489) ======================= q-point: ( 0.47 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.000 ( 20.300 23.420 22.119) 38.077 4.688 ( 8.408 30.523 18.421) 36.629 5.403 ( -2.290 24.534 -18.102) 30.575 5.712 ( 14.034 25.289 -23.857) 37.492 7.752 ( -9.718 12.851 9.425) 18.665 8.322 ( 19.518 16.500 4.560) 25.962 8.925 ( 1.218 37.921 23.517) 44.638 9.174 ( 7.511 23.970 2.553) 25.249 9.500 ( 18.881 38.215 6.687) 43.146 11.038 ( -0.332 24.764 -8.370) 26.142 11.198 ( 3.664 30.710 -34.309) 46.192 13.057 ( 4.833 6.230 0.793) 7.925 13.630 ( 0.643 13.467 4.333) 14.161 15.367 ( -4.741 -25.848 -8.097) 27.499 16.841 ( 4.628 29.601 -0.654) 29.968 21.370 ( -2.709 -8.905 14.385) 17.133 21.820 ( 1.846 2.062 -0.054) 2.768 21.885 ( 0.735 -1.461 -0.219) 1.651 22.713 ( -0.718 0.087 1.419) 1.592 24.165 ( -5.857 -23.275 -0.731) 24.011 25.025 ( -4.174 -13.869 -3.164) 14.825 ======================= Grid point 1290 (409/489) ======================= q-point: ( 0.53 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.729 ( 28.698 22.657 14.482) 39.327 5.192 ( 12.552 22.902 10.326) 28.083 5.625 ( 1.651 27.923 -10.475) 29.868 6.159 ( 14.551 21.960 -21.548) 34.033 7.741 ( -4.231 7.654 7.535) 11.544 8.610 ( 7.134 3.147 -3.129) 8.402 9.590 ( 13.341 26.930 17.760) 34.909 9.626 ( 18.088 33.970 6.626) 39.052 10.302 ( 20.683 37.135 25.479) 49.558 11.187 ( 0.364 10.508 -14.533) 17.937 11.561 ( 9.495 38.011 -36.355) 53.448 13.247 ( 7.382 8.947 0.682) 11.619 13.896 ( 5.395 24.824 9.710) 27.196 15.020 ( -5.903 -18.119 -11.085) 22.046 17.208 ( 6.515 22.054 0.635) 23.005 21.242 ( -4.566 -9.297 10.991) 15.103 21.887 ( 2.923 1.432 -0.262) 3.266 21.895 ( 0.893 1.168 0.488) 1.550 22.669 ( -2.070 -4.025 0.323) 4.538 23.802 ( -9.316 -20.724 -0.636) 22.730 24.752 ( -8.228 -16.872 -2.163) 18.896 ======================= Grid point 1291 (410/489) ======================= q-point: ( 0.59 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.471 ( 25.995 21.797 3.241) 34.079 5.566 ( 6.363 12.504 6.405) 15.423 6.024 ( 10.404 32.370 -2.414) 34.086 6.553 ( 12.100 18.463 -18.412) 28.745 7.811 ( 0.366 8.612 9.492) 12.822 8.718 ( 1.392 5.266 -0.098) 5.448 10.031 ( 10.022 16.120 12.674) 22.824 10.309 ( 20.234 20.393 -5.551) 29.259 10.948 ( 5.322 28.583 9.731) 30.660 11.289 ( 9.311 8.790 9.031) 15.669 12.224 ( 25.847 44.753 -29.444) 59.480 13.491 ( 6.963 12.842 1.289) 14.665 14.292 ( 6.056 15.799 20.510) 26.589 14.802 ( 1.266 -0.524 -21.303) 21.347 17.504 ( 6.633 12.133 1.950) 13.965 21.082 ( -4.937 -8.977 6.512) 12.139 21.916 ( 0.433 1.669 0.168) 1.733 21.960 ( 1.718 2.416 0.360) 2.987 22.572 ( -2.548 -6.095 -0.627) 6.636 23.427 ( -10.534 -17.875 0.221) 20.749 24.390 ( -11.203 -19.257 -1.351) 22.319 ======================= Grid point 1292 (411/489) ======================= q-point: ( 0.65 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.736 ( 0.596 8.072 4.521) 9.271 6.080 ( 19.814 19.045 -5.460) 28.020 6.559 ( 12.179 29.808 2.288) 32.282 6.879 ( 9.207 16.098 -13.358) 22.855 7.962 ( 2.553 10.517 11.443) 15.750 8.775 ( -1.508 6.340 -1.260) 6.637 10.238 ( 0.431 0.300 5.593) 5.618 10.675 ( 4.184 19.017 -15.735) 25.034 11.254 ( 5.238 22.887 2.333) 23.594 11.787 ( 20.367 17.585 23.067) 35.442 13.120 ( 31.732 35.596 -18.674) 51.212 13.724 ( 2.677 12.070 4.225) 13.065 14.373 ( -3.187 3.164 9.686) 10.677 15.099 ( 20.175 16.330 -11.295) 28.306 17.693 ( 6.443 1.422 2.870) 7.195 20.933 ( -3.180 -7.698 2.799) 8.786 21.926 ( -3.051 1.965 0.397) 3.651 21.979 ( 0.146 -1.257 -0.010) 1.265 22.478 ( -1.474 -3.427 -2.302) 4.384 23.085 ( -9.317 -14.196 1.837) 17.079 23.974 ( -12.442 -20.014 -0.723) 23.577 ======================= Grid point 1293 (412/489) ======================= q-point: ( 0.71 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.790 ( -1.734 2.878 5.167) 6.163 6.538 ( 12.334 18.172 -5.878) 22.735 7.019 ( 6.139 25.421 -4.939) 26.614 7.133 ( 6.674 12.622 -4.113) 14.858 8.156 ( 3.636 11.258 9.307) 15.053 8.781 ( -4.174 5.421 -3.252) 7.575 10.180 ( -5.146 2.301 -5.151) 7.636 10.836 ( -3.238 15.494 -1.514) 15.901 11.595 ( 0.349 31.358 -2.060) 31.427 12.345 ( 21.111 6.495 22.504) 31.532 13.683 ( 0.714 -0.401 2.606) 2.731 13.962 ( 16.681 21.607 -6.828) 28.138 14.530 ( 4.386 25.077 -4.829) 25.912 15.605 ( 25.016 5.157 -0.414) 25.546 17.775 ( 6.468 -9.116 3.046) 11.585 20.846 ( 1.303 -5.822 0.815) 6.021 21.783 ( -7.864 -9.813 -0.166) 12.576 21.990 ( 0.101 2.645 -0.371) 2.673 22.435 ( -2.995 2.227 -4.554) 5.888 22.850 ( -3.867 -8.609 3.952) 10.232 23.562 ( -11.563 -18.262 -0.127) 21.615 ======================= Grid point 1294 (413/489) ======================= q-point: ( 0.76 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.767 ( -3.109 -1.308 6.728) 7.526 6.857 ( 2.825 18.971 0.231) 19.182 7.163 ( -4.869 11.870 -8.282) 15.271 7.450 ( 9.995 15.995 -4.305) 19.347 8.315 ( 0.230 7.627 -5.411) 9.355 8.741 ( -5.158 5.552 6.355) 9.890 10.132 ( -7.627 13.756 -10.353) 18.830 10.893 ( -3.729 8.650 6.344) 11.357 11.849 ( -10.140 35.482 -4.529) 37.179 12.726 ( 14.708 -5.533 23.325) 28.124 13.573 ( -5.261 -6.663 7.622) 11.410 14.360 ( 0.903 25.096 -4.202) 25.461 14.878 ( 8.448 17.866 -16.458) 25.718 16.068 ( 24.899 -2.764 6.115) 25.788 17.749 ( 5.727 -18.334 2.864) 19.420 20.881 ( 8.253 -3.837 0.421) 9.111 21.494 ( -8.654 -15.684 -1.063) 17.945 22.031 ( 0.400 4.891 -0.549) 4.938 22.358 ( -7.792 3.640 -4.684) 9.793 22.815 ( 4.364 -1.927 3.583) 5.966 23.215 ( -8.612 -14.282 0.617) 16.689 ======================= Grid point 1306 (414/489) ======================= q-point: ( 0.47 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.081 ( 0.000 20.486 20.468) 28.959 4.959 ( 0.000 28.654 13.933) 31.862 5.657 ( -0.000 23.143 -6.271) 23.977 5.796 ( -0.000 29.592 -24.465) 38.396 7.975 ( 0.000 1.574 12.661) 12.758 8.226 ( -0.000 9.988 -17.960) 20.551 9.269 ( -0.000 19.982 -3.797) 20.339 9.388 ( 0.000 33.884 28.111) 44.027 9.891 ( 0.000 57.245 27.068) 63.322 11.202 ( -0.000 14.329 -18.196) 23.160 11.461 ( -0.000 37.660 -31.469) 49.077 13.073 ( 0.000 5.952 1.157) 6.064 13.839 ( 0.000 26.435 6.463) 27.214 15.125 ( -0.000 -24.290 -9.060) 25.924 17.109 ( -0.000 29.159 -0.202) 29.159 21.337 ( 0.000 -9.076 12.675) 15.589 21.815 ( -0.000 0.753 -0.413) 0.859 21.861 ( -0.000 -1.006 -0.131) 1.015 22.711 ( 0.000 -2.767 0.631) 2.838 23.981 ( -0.000 -22.435 -0.397) 22.438 24.906 ( -0.000 -15.841 -2.531) 16.042 ======================= Grid point 1307 (415/489) ======================= q-point: ( 0.53 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.517 ( 20.706 18.380 16.513) 32.237 5.313 ( 5.000 25.562 10.522) 28.091 5.870 ( -0.659 25.732 -5.083) 26.237 6.136 ( 9.681 25.200 -18.650) 32.812 7.916 ( -7.087 4.394 3.611) 9.087 8.407 ( 13.841 1.051 -11.002) 17.713 9.595 ( 14.037 20.951 -3.445) 25.452 9.749 ( 3.415 19.742 23.929) 31.209 10.638 ( 6.512 56.701 32.042) 65.453 11.244 ( -1.337 5.337 -16.694) 17.577 11.809 ( 2.226 44.382 -33.308) 55.534 13.198 ( 6.517 7.098 0.969) 9.685 14.183 ( 0.233 34.771 10.231) 36.245 14.861 ( -1.385 -18.405 -12.868) 22.500 17.395 ( 0.599 24.541 0.427) 24.552 21.242 ( -3.118 -9.016 9.409) 13.399 21.834 ( 2.398 -1.156 -0.748) 2.766 21.881 ( 2.030 1.541 0.483) 2.593 22.655 ( -1.567 -5.749 0.471) 5.977 23.717 ( -4.848 -20.295 -0.195) 20.866 24.686 ( -4.769 -18.159 -1.808) 18.861 ======================= Grid point 1308 (416/489) ======================= q-point: ( 0.59 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.181 ( 28.317 15.892 10.828) 34.229 5.671 ( 4.512 21.376 10.576) 24.272 6.163 ( 6.513 26.140 -6.919) 27.813 6.511 ( 10.265 20.521 -14.078) 26.920 7.902 ( -0.824 6.453 1.676) 6.717 8.628 ( 11.388 0.928 -4.954) 12.454 10.027 ( 6.618 7.230 22.652) 24.681 10.128 ( 21.683 19.577 -6.929) 30.024 11.113 ( 1.658 8.269 -16.959) 18.941 11.434 ( 3.044 38.504 28.773) 48.163 12.329 ( 10.607 50.162 -26.244) 57.598 13.446 ( 10.972 10.371 0.412) 15.104 14.463 ( -2.904 2.583 20.276) 20.645 14.760 ( 2.631 18.978 -23.141) 30.043 17.610 ( -0.762 16.753 0.994) 16.800 21.097 ( -5.006 -8.319 5.389) 11.104 21.875 ( 3.621 -0.810 -0.535) 3.749 21.949 ( 2.599 2.053 0.609) 3.368 22.549 ( -2.512 -7.430 0.982) 7.905 23.409 ( -7.832 -17.584 -0.182) 19.250 24.365 ( -8.869 -20.114 -1.150) 22.012 ======================= Grid point 1309 (417/489) ======================= q-point: ( 0.65 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.735 ( 12.950 5.793 6.151) 15.463 5.990 ( 9.569 23.397 3.664) 25.542 6.614 ( 14.992 24.869 -0.867) 29.051 6.845 ( 9.558 16.981 -11.220) 22.486 8.020 ( 4.010 8.573 3.793) 10.196 8.782 ( 5.330 1.981 -2.996) 6.427 10.184 ( 4.719 -4.498 12.781) 14.347 10.654 ( 16.355 17.805 -12.084) 27.029 11.276 ( 12.195 12.386 -1.024) 17.412 11.895 ( 1.688 32.433 10.752) 34.210 13.038 ( 18.503 42.472 -9.772) 47.347 13.753 ( 8.516 11.093 0.005) 13.985 14.397 ( 2.177 -4.779 7.367) 9.048 15.082 ( 4.289 28.704 -9.769) 30.623 17.704 ( -2.463 6.703 1.363) 7.270 20.937 ( -4.996 -6.835 2.233) 8.756 21.931 ( 3.093 -1.507 -0.354) 3.458 21.977 ( -1.288 -0.653 0.326) 1.481 22.452 ( -0.470 -4.734 1.247) 4.918 23.100 ( -8.370 -13.970 -0.157) 16.286 23.974 ( -11.167 -20.709 -0.626) 23.536 ======================= Grid point 1310 (418/489) ======================= q-point: ( 0.71 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.841 ( -0.716 0.285 3.990) 4.063 6.468 ( 14.781 21.670 -3.045) 26.408 7.089 ( 10.421 16.881 6.589) 20.904 7.154 ( 9.122 17.614 -10.945) 22.655 8.207 ( 5.289 9.295 5.645) 12.093 8.844 ( 0.413 1.962 -3.815) 4.310 10.224 ( 2.398 0.786 2.224) 3.363 10.973 ( 5.456 11.313 -4.609) 13.379 11.745 ( 15.651 24.745 1.911) 29.342 12.232 ( 6.318 17.364 5.460) 19.267 13.632 ( 7.872 11.921 -1.925) 14.415 13.941 ( 8.645 15.600 -0.417) 17.840 14.638 ( 12.983 20.123 1.955) 24.028 15.388 ( 7.151 14.619 -4.216) 16.812 17.666 ( -3.026 -4.979 1.311) 5.973 20.807 ( -2.871 -4.996 0.601) 5.794 21.803 ( -7.243 -12.603 -0.069) 14.536 22.003 ( 1.517 2.620 -0.104) 3.029 22.461 ( 1.986 1.724 -0.017) 2.630 22.850 ( -6.025 -9.222 0.481) 11.027 23.569 ( -11.012 -19.006 -0.203) 21.967 ======================= Grid point 1311 (419/489) ======================= q-point: ( 0.76 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.800 ( -2.377 -3.601 3.824) 5.766 6.903 ( 10.896 20.058 -2.410) 22.953 7.334 ( 0.873 9.986 -4.542) 11.005 7.422 ( 6.591 10.963 1.338) 12.862 8.412 ( 2.527 13.923 -4.242) 14.773 8.838 ( -0.985 0.937 4.272) 4.483 10.329 ( 0.784 13.658 -3.654) 14.160 11.068 ( -3.633 6.386 1.303) 7.461 12.237 ( 5.792 31.560 -3.171) 32.244 12.494 ( 10.562 0.218 11.189) 15.388 13.597 ( -4.108 -7.115 2.450) 8.573 14.417 ( 13.973 24.497 -3.937) 28.475 15.073 ( 2.280 29.189 -6.696) 30.034 15.653 ( 17.795 -1.468 5.683) 18.738 17.512 ( -1.455 -17.401 0.687) 17.475 20.754 ( 1.985 -3.089 0.178) 3.676 21.490 ( -9.866 -17.019 -0.357) 19.675 22.061 ( 1.483 4.167 -0.134) 4.425 22.494 ( -3.297 4.249 -2.988) 6.152 22.730 ( 1.275 -5.080 2.574) 5.835 23.220 ( -8.616 -14.739 0.209) 17.074 ======================= Grid point 1324 (420/489) ======================= q-point: ( 0.53 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.531 ( 0.000 15.447 15.795) 22.093 5.564 ( 0.000 26.134 12.433) 28.941 6.134 ( 0.000 22.492 3.093) 22.704 6.252 ( -0.000 25.710 -22.764) 34.339 8.079 ( 0.000 2.608 12.381) 12.653 8.189 ( -0.000 0.086 -23.358) 23.358 9.652 ( -0.000 18.741 -2.736) 18.940 9.938 ( 0.000 10.627 25.102) 27.259 11.078 ( -0.000 13.764 -17.118) 21.965 11.404 ( 0.000 39.782 29.131) 49.307 12.202 ( -0.000 51.618 -31.879) 60.669 13.203 ( 0.000 6.165 1.151) 6.271 14.528 ( 0.000 5.317 19.745) 20.449 14.732 ( -0.000 18.856 -23.857) 30.409 17.642 ( -0.000 22.904 0.222) 22.905 21.204 ( 0.000 -8.079 7.016) 10.700 21.792 ( -0.000 -1.860 -0.866) 2.052 21.876 ( 0.000 1.570 0.365) 1.612 22.603 ( 0.000 -7.711 1.329) 7.825 23.560 ( 0.000 -18.780 -0.260) 18.782 24.533 ( -0.000 -19.690 -1.340) 19.736 ======================= Grid point 1325 (421/489) ======================= q-point: ( 0.59 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.906 ( 20.605 13.066 13.398) 27.835 5.882 ( 2.102 24.907 15.660) 29.495 6.322 ( -0.585 19.840 -7.937) 21.377 6.540 ( 7.693 21.364 -12.363) 25.855 7.994 ( -4.606 3.627 -4.308) 7.275 8.370 ( 14.961 0.205 -5.672) 16.001 9.959 ( 13.178 14.761 -2.175) 19.907 10.076 ( 2.331 4.027 23.990) 24.437 11.041 ( 2.105 -3.495 -21.319) 21.706 11.940 ( -1.424 45.177 19.695) 49.304 12.708 ( 2.136 54.838 -17.726) 57.672 13.354 ( 9.194 8.017 0.440) 12.206 14.395 ( -0.580 -17.567 1.333) 17.627 15.093 ( -1.813 43.238 -6.287) 43.730 17.831 ( -2.838 18.024 -0.064) 18.246 21.110 ( -3.559 -6.404 3.943) 8.320 21.798 ( 2.927 -1.672 -0.796) 3.463 21.918 ( 2.541 1.490 0.496) 2.987 22.507 ( -1.505 -9.022 2.943) 9.608 23.340 ( -4.107 -16.463 -0.980) 16.996 24.278 ( -5.003 -20.962 -0.856) 21.568 ======================= Grid point 1326 (422/489) ======================= q-point: ( 0.65 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.480 ( 24.287 9.197 8.244) 27.248 6.177 ( 0.007 21.444 14.460) 25.863 6.559 ( 11.268 16.718 -10.049) 22.526 6.854 ( 7.672 17.474 -6.251) 20.081 8.029 ( 3.132 6.741 -3.357) 8.156 8.616 ( 12.942 0.099 -3.621) 13.439 10.085 ( 2.699 -7.716 17.470) 19.288 10.471 ( 18.949 15.409 -5.546) 25.045 11.114 ( 13.120 3.379 -7.365) 15.420 12.307 ( -5.321 34.946 -2.692) 35.451 13.269 ( 5.728 43.221 1.556) 43.626 13.676 ( 12.436 13.624 -2.637) 18.634 14.253 ( 4.019 -11.451 1.044) 12.181 15.431 ( -5.067 36.467 -4.720) 37.118 17.891 ( -7.162 10.660 -0.323) 12.847 20.979 ( -5.573 -4.167 1.480) 7.114 21.845 ( 3.860 -2.398 -0.636) 4.589 21.968 ( 1.331 -0.522 0.338) 1.469 22.404 ( -0.326 -7.485 4.483) 8.731 23.092 ( -6.248 -12.729 -2.016) 14.322 23.938 ( -8.726 -21.016 -0.459) 22.760 ======================= Grid point 1327 (423/489) ======================= q-point: ( 0.71 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.814 ( 5.601 0.919 -1.262) 5.815 6.484 ( 9.081 21.166 8.349) 24.498 6.998 ( 19.244 12.901 1.484) 23.216 7.135 ( 7.235 15.155 -4.740) 17.450 8.187 ( 6.308 6.902 0.802) 9.385 8.783 ( 6.747 -0.044 -4.155) 7.924 10.125 ( 7.309 -4.398 10.055) 13.186 10.856 ( 13.578 6.643 -7.026) 16.669 11.575 ( 26.449 14.882 3.723) 30.576 12.470 ( -7.241 23.443 -12.187) 27.396 13.682 ( 0.828 8.659 1.699) 8.863 13.938 ( 9.127 18.628 0.039) 20.744 14.494 ( 20.382 12.922 5.370) 24.723 15.622 ( -8.122 26.030 -5.029) 27.727 17.787 ( -11.494 1.243 -0.486) 11.571 20.848 ( -5.673 -1.857 0.242) 5.974 21.782 ( -4.749 -12.036 0.117) 12.939 21.988 ( 2.344 1.359 0.056) 2.710 22.404 ( 4.400 -2.134 4.217) 6.458 22.873 ( -5.992 -7.007 -2.683) 9.602 23.562 ( -10.037 -19.024 -0.243) 21.511 ======================= Grid point 1342 (424/489) ======================= q-point: ( 0.59 0.59 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.863 ( 0.000 10.496 13.496) 17.097 6.164 ( 0.000 25.185 19.661) 31.951 6.524 ( 0.000 13.344 0.734) 13.364 6.616 ( -0.000 20.289 -22.336) 30.176 8.091 ( -0.000 2.348 -22.323) 22.446 8.184 ( 0.000 1.928 11.618) 11.777 9.990 ( -0.000 15.159 -1.690) 15.253 10.112 ( 0.000 -4.917 25.637) 26.104 10.919 ( -0.000 -4.644 -20.376) 20.898 12.413 ( -0.000 38.861 0.150) 38.861 13.245 ( -0.000 55.449 -2.589) 55.510 13.327 ( 0.000 5.439 0.746) 5.490 14.224 ( -0.000 -15.419 -2.466) 15.615 15.543 ( -0.000 41.610 -3.351) 41.745 18.034 ( -0.000 15.709 -1.291) 15.762 21.101 ( 0.000 -3.371 2.277) 4.068 21.751 ( -0.000 -1.663 -0.845) 1.866 21.910 ( 0.000 1.419 0.489) 1.501 22.430 ( 0.000 -10.584 5.270) 11.824 23.214 ( -0.000 -14.416 -2.338) 14.605 24.104 ( -0.000 -21.581 -0.530) 21.588 ======================= Grid point 1343 (425/489) ======================= q-point: ( 0.65 0.59 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.178 ( 19.814 7.896 11.963) 24.455 6.458 ( -2.294 21.294 18.104) 28.044 6.569 ( 0.311 9.685 -8.942) 13.186 6.866 ( 8.451 15.621 -10.930) 20.854 8.055 ( -0.364 6.932 -10.042) 12.208 8.371 ( 12.767 0.480 1.544) 12.869 10.029 ( -1.981 -9.305 17.238) 19.688 10.307 ( 14.937 11.482 2.400) 18.992 10.906 ( 7.554 -0.567 -13.177) 15.199 12.712 ( -4.320 30.308 -14.987) 34.086 13.460 ( 8.082 8.689 1.877) 12.014 13.775 ( 2.330 32.818 0.578) 32.906 14.115 ( 1.369 -0.168 4.189) 4.410 15.889 ( -4.813 35.182 -3.224) 35.656 18.120 ( -5.540 10.626 -2.402) 12.222 21.050 ( -4.225 0.082 0.828) 4.306 21.760 ( 2.714 -1.782 -0.736) 3.329 21.939 ( 1.357 0.175 0.495) 1.455 22.328 ( 0.050 -10.928 7.176) 13.074 23.049 ( -3.058 -10.460 -3.769) 11.531 23.842 ( -4.668 -21.037 -0.274) 21.550 ======================= Grid point 1344 (426/489) ======================= q-point: (-0.29 -0.41 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.636 ( 17.526 3.100 4.989) 18.484 6.549 ( 4.311 9.265 -6.314) 12.012 6.844 ( 9.960 13.066 14.093) 21.646 7.145 ( 8.255 14.209 -4.672) 17.084 8.163 ( 4.110 8.440 -4.020) 10.212 8.595 ( 12.013 -1.296 -1.492) 12.175 9.970 ( 4.533 -9.308 14.806) 18.066 10.679 ( 12.656 8.173 -6.998) 16.612 11.193 ( 26.159 5.005 0.623) 26.641 12.810 ( -8.781 20.682 -21.911) 31.384 13.687 ( 2.583 -0.283 -5.081) 5.708 13.918 ( 12.580 3.507 -0.359) 13.064 14.446 ( 6.329 29.873 16.854) 34.879 16.065 ( -10.252 27.172 -4.125) 29.333 18.032 ( -12.151 3.608 -2.983) 13.022 20.967 ( -6.828 3.120 0.037) 7.507 21.738 ( -2.495 -8.644 0.088) 8.997 21.954 ( 2.045 -0.120 0.661) 2.152 22.291 ( 4.708 -6.737 6.572) 10.523 22.898 ( -4.000 -4.052 -4.290) 7.129 23.527 ( -7.605 -18.560 -0.260) 20.060 ======================= Grid point 1360 (427/489) ======================= q-point: (-0.35 -0.35 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.087 ( 0.000 5.446 12.719) 13.836 6.637 ( -0.000 0.071 -4.377) 4.377 6.754 ( 0.000 20.575 23.207) 31.015 6.859 ( -0.000 13.832 -22.597) 26.494 8.123 ( -0.000 9.975 -16.253) 19.070 8.262 ( 0.000 0.549 10.659) 10.673 10.007 ( 0.000 -14.568 21.840) 26.253 10.242 ( -0.000 9.902 -0.824) 9.936 10.813 ( -0.000 1.726 -13.179) 13.292 12.984 ( -0.000 23.299 -22.454) 32.358 13.423 ( 0.000 3.595 0.144) 3.598 13.829 ( -0.000 -8.124 -10.635) 13.383 14.395 ( 0.000 37.938 21.475) 43.594 16.259 ( -0.000 29.411 -3.040) 29.568 18.257 ( -0.000 7.083 -4.551) 8.419 21.118 ( 0.000 4.815 0.462) 4.837 21.720 ( -0.000 -0.973 -0.732) 1.217 21.936 ( 0.000 0.833 0.565) 1.006 22.214 ( 0.000 -14.412 8.845) 16.910 22.977 ( -0.000 -6.259 -4.872) 7.931 23.673 ( 0.000 -19.867 -0.172) 19.867 ======================= Grid point 1361 (428/489) ======================= q-point: (-0.29 -0.35 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.339 ( 18.334 2.456 11.352) 21.703 6.532 ( -3.378 -2.655 -14.310) 14.941 6.943 ( 1.530 11.309 9.089) 14.589 7.109 ( 9.521 14.164 0.941) 17.092 8.205 ( 1.188 10.999 -6.119) 12.642 8.385 ( 9.238 -0.577 3.378) 9.853 9.870 ( -1.357 -12.225 17.306) 21.232 10.505 ( 15.918 7.403 -1.064) 17.587 10.882 ( 9.666 2.213 -7.242) 12.279 13.066 ( -5.842 14.556 -25.953) 30.324 13.572 ( 10.538 2.714 -2.458) 11.156 13.703 ( 2.402 -10.163 -8.927) 13.739 14.799 ( -1.099 30.385 24.242) 38.886 16.460 ( -6.148 22.298 -3.518) 23.396 18.226 ( -7.233 1.549 -6.017) 9.535 21.138 ( -5.330 8.126 0.227) 9.721 21.705 ( -1.465 -4.097 -0.174) 4.354 21.930 ( -0.177 -1.377 1.557) 2.086 22.131 ( 5.049 -11.091 7.257) 14.183 22.913 ( -1.678 -0.432 -4.599) 4.915 23.449 ( -3.955 -16.520 -0.343) 16.990 ======================= Grid point 1378 (429/489) ======================= q-point: (-0.29 -0.29 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.201 ( 0.000 -0.179 12.658) 12.659 6.501 ( -0.000 -8.171 -7.840) 11.324 6.961 ( -0.000 6.720 -22.819) 23.788 7.213 ( 0.000 12.320 22.611) 25.749 8.296 ( -0.000 10.619 -9.123) 13.999 8.310 ( 0.000 -0.426 9.801) 9.810 9.816 ( 0.000 -11.751 19.126) 22.447 10.378 ( -0.000 3.588 -0.326) 3.603 10.835 ( -0.000 5.338 -9.070) 10.524 13.167 ( -0.000 5.857 -28.736) 29.327 13.469 ( -0.000 0.910 -0.318) 0.964 13.564 ( -0.000 -9.749 -11.168) 14.824 15.135 ( 0.000 20.152 25.883) 32.803 16.699 ( -0.000 15.204 -3.104) 15.517 18.270 ( -0.000 -2.451 -8.592) 8.935 21.286 ( 0.000 9.395 0.465) 9.406 21.706 ( -0.000 -0.107 -0.628) 0.637 21.936 ( 0.000 -14.860 8.706) 17.223 21.948 ( 0.000 0.078 0.596) 0.602 22.929 ( -0.000 2.410 -3.963) 4.638 23.340 ( -0.000 -10.838 -0.619) 10.856 ======================= Grid point 1541 (430/489) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 0.000 0.000 54.500) 54.500 2.043 ( 0.000 0.000 54.500) 54.500 3.893 ( 0.000 0.000 107.013) 107.013 4.363 ( -0.000 -0.000 -33.820) 33.820 4.363 ( -0.000 -0.000 -33.820) 33.820 7.818 ( 0.000 0.000 12.666) 12.666 7.818 ( 0.000 0.000 12.666) 12.666 8.393 ( -0.000 -0.000 -6.911) 6.911 8.393 ( -0.000 -0.000 -6.911) 6.911 8.666 ( -0.000 -0.000 -79.221) 79.221 11.246 ( 0.000 0.000 2.340) 2.340 12.788 ( -0.000 -0.000 -0.319) 0.319 12.788 ( -0.000 -0.000 -0.319) 0.319 15.188 ( 0.000 0.000 23.366) 23.366 17.752 ( -0.000 -0.000 -5.605) 5.605 21.719 ( -0.000 -0.000 -0.510) 0.510 21.719 ( -0.000 -0.000 -0.510) 0.510 21.961 ( 0.000 0.000 0.192) 0.192 21.961 ( 0.000 0.000 0.192) 0.192 25.376 ( 0.000 0.000 1.664) 1.664 25.695 ( -0.000 -0.000 -1.581) 1.581 ======================= Grid point 1542 (431/489) ======================= q-point: ( 0.35 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 19.519 11.270 48.158) 53.172 2.520 ( 26.895 15.528 47.636) 56.865 4.372 ( 8.769 5.063 -34.144) 35.614 4.529 ( 31.639 18.267 39.917) 54.112 4.652 ( 28.216 16.290 15.965) 36.282 7.830 ( -0.236 -0.136 3.395) 3.406 7.948 ( 6.129 3.539 13.325) 15.088 8.373 ( 1.197 0.691 -8.649) 8.759 8.497 ( 10.294 5.943 -24.074) 26.849 8.786 ( 25.894 14.950 -44.681) 53.762 11.103 ( -9.070 -5.237 9.029) 13.828 12.818 ( 2.229 1.287 -0.402) 2.606 13.150 ( 22.313 12.882 -14.373) 29.503 15.359 ( 11.175 6.452 16.360) 20.836 17.274 ( -32.937 -19.016 -2.100) 38.090 21.686 ( -3.605 -2.081 3.301) 5.312 21.720 ( 0.433 0.250 -0.290) 0.578 21.952 ( -0.759 -0.438 0.165) 0.892 22.169 ( 14.129 8.158 2.680) 16.534 25.315 ( -7.669 -4.427 4.047) 9.736 25.550 ( -8.504 -4.910 -4.426) 10.771 ======================= Grid point 1543 (432/489) ======================= q-point: ( 0.41 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.099 ( 26.550 15.329 37.878) 48.730 3.343 ( 33.304 19.228 34.821) 51.878 4.588 ( 15.476 8.935 -30.830) 35.635 5.196 ( 30.326 17.509 -39.875) 53.068 5.828 ( 50.751 29.301 68.013) 89.778 7.892 ( 6.970 4.024 7.896) 11.275 8.124 ( 4.685 2.705 11.222) 12.458 8.452 ( 8.756 5.055 -8.243) 13.045 8.834 ( 24.396 14.085 -28.471) 40.052 9.533 ( 40.529 23.399 -22.264) 51.825 10.957 ( -3.784 -2.185 5.293) 6.863 12.887 ( 3.682 2.126 -0.431) 4.274 13.480 ( 7.345 4.241 -11.067) 13.943 15.808 ( 23.844 13.766 3.204) 27.718 16.461 ( -32.559 -18.798 -2.786) 37.700 21.590 ( -5.727 -3.307 11.130) 12.947 21.738 ( 1.064 0.615 0.074) 1.231 21.927 ( -1.350 -0.779 0.093) 1.561 22.484 ( 10.509 6.068 4.334) 12.886 24.982 ( -19.249 -11.113 2.467) 22.363 25.382 ( -6.018 -3.474 -5.755) 9.023 ======================= Grid point 1544 (433/489) ======================= q-point: ( 0.47 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.804 ( 26.082 15.059 25.739) 39.617 4.215 ( 35.180 20.311 18.696) 44.719 4.928 ( 18.374 10.608 -21.660) 30.320 5.732 ( 22.844 13.189 -39.488) 47.488 7.018 ( 32.132 18.551 43.155) 56.911 8.204 ( 1.915 1.105 1.744) 2.816 8.332 ( 30.661 17.702 28.703) 45.578 8.754 ( 16.591 9.579 -1.261) 19.199 9.520 ( 38.302 22.114 -23.375) 50.025 10.391 ( 30.211 17.443 -7.069) 35.594 11.028 ( 13.602 7.853 -14.388) 21.300 12.984 ( 4.596 2.653 -0.399) 5.322 13.535 ( 2.021 1.167 -0.757) 2.453 15.714 ( -25.989 -15.005 -7.167) 30.853 16.481 ( 27.546 15.904 -0.138) 31.807 21.471 ( -6.968 -4.023 14.689) 16.748 21.768 ( 1.401 0.809 0.439) 1.676 21.891 ( -1.604 -0.926 0.000) 1.852 22.664 ( 4.147 2.395 3.267) 5.797 24.501 ( -21.006 -12.128 -1.346) 24.293 25.190 ( -9.710 -5.606 -3.982) 11.898 ======================= Grid point 1545 (434/489) ======================= q-point: ( 0.53 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.405 ( 20.890 12.061 8.985) 25.740 5.063 ( 34.445 19.887 2.915) 39.881 5.343 ( 19.648 11.344 -4.681) 23.166 6.106 ( 16.994 9.812 -32.689) 38.126 7.492 ( 6.084 3.512 31.166) 31.947 8.253 ( 2.551 1.473 -3.850) 4.848 9.174 ( 18.412 10.630 1.283) 21.299 9.380 ( 44.866 25.904 29.901) 59.817 10.335 ( 25.679 14.826 4.297) 29.962 10.954 ( 27.508 15.882 -6.765) 32.476 11.474 ( 24.770 14.301 -35.100) 45.278 13.098 ( 5.079 2.932 -0.306) 5.873 13.749 ( 17.495 10.101 10.621) 22.823 15.162 ( -18.436 -10.644 -10.447) 23.714 17.101 ( 24.355 14.061 0.616) 28.130 21.332 ( -7.584 -4.378 13.022) 15.692 21.795 ( 0.284 0.164 0.687) 0.761 21.862 ( -0.409 -0.236 -0.104) 0.483 22.705 ( -0.699 -0.403 0.660) 1.042 24.011 ( -20.101 -11.605 -2.006) 23.297 24.905 ( -13.842 -7.991 -2.505) 16.178 ======================= Grid point 1546 (435/489) ======================= q-point: ( 0.59 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.817 ( 14.166 8.179 -6.527) 17.612 5.820 ( 19.703 11.375 12.536) 25.976 5.829 ( 31.200 18.013 -10.781) 37.605 6.392 ( 12.620 7.286 -21.038) 25.592 7.628 ( 1.469 0.848 28.489) 28.539 8.302 ( 2.588 1.494 -7.102) 7.705 9.600 ( 17.113 9.880 1.655) 19.830 10.250 ( 21.097 12.180 7.912) 25.613 10.719 ( 6.901 3.984 3.792) 8.825 11.465 ( 17.987 10.385 18.152) 27.584 12.300 ( 52.210 30.144 -35.485) 69.955 13.218 ( 5.126 2.960 -0.168) 5.921 14.225 ( 7.683 4.436 22.261) 23.964 14.944 ( 11.427 6.597 -18.631) 22.830 17.611 ( 18.581 10.728 3.068) 21.674 21.188 ( -6.411 -3.701 8.262) 11.094 21.776 ( -1.553 -0.897 0.544) 1.874 21.880 ( 1.472 0.850 0.008) 1.700 22.648 ( -3.738 -2.158 -2.581) 5.029 23.555 ( -18.334 -10.585 0.182) 21.171 24.534 ( -17.125 -9.887 -1.460) 19.829 ======================= Grid point 1547 (436/489) ======================= q-point: ( 0.65 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.059 ( 8.854 5.112 -13.121) 16.634 6.298 ( 17.016 9.824 20.955) 28.726 6.460 ( 24.865 14.356 -18.672) 34.249 6.581 ( 6.281 3.627 -9.681) 12.097 7.761 ( 5.572 3.217 23.590) 24.452 8.333 ( 1.546 0.893 -8.798) 8.978 9.968 ( 13.663 7.888 1.270) 15.827 10.484 ( -1.134 -0.654 -22.625) 22.663 10.650 ( -4.821 -2.784 13.705) 14.793 12.138 ( 28.991 16.738 30.898) 45.556 13.333 ( 4.505 2.601 -0.008) 5.202 13.438 ( 44.574 25.735 -20.860) 55.536 14.144 ( -6.323 -3.651 6.718) 9.922 15.559 ( 32.611 18.828 -5.200) 38.013 17.987 ( 12.537 7.239 5.251) 15.400 21.093 ( -2.317 -1.338 3.393) 4.321 21.741 ( -1.423 -0.822 0.549) 1.733 21.915 ( 1.353 0.781 -0.169) 1.572 22.519 ( -6.595 -3.808 -6.972) 10.325 23.166 ( -14.565 -8.409 4.280) 17.354 24.106 ( -18.753 -10.827 -0.758) 21.667 ======================= Grid point 1548 (437/489) ======================= q-point: ( 0.71 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.182 ( 4.427 2.556 -14.058) 14.958 6.605 ( -2.465 -1.423 4.299) 5.156 6.696 ( 12.027 6.944 23.257) 27.088 6.928 ( 18.346 10.592 -25.291) 32.991 8.010 ( 11.090 6.403 15.523) 20.123 8.333 ( 0.380 0.220 -9.459) 9.469 10.166 ( -14.190 -8.193 -23.062) 28.290 10.236 ( 8.763 5.060 0.716) 10.144 10.719 ( 3.260 1.882 13.229) 13.755 12.798 ( 19.741 11.397 28.971) 36.864 13.423 ( 3.014 1.740 0.157) 3.484 13.751 ( -8.185 -4.726 11.425) 14.828 14.564 ( 34.391 19.855 -25.570) 47.231 16.243 ( 24.701 14.261 1.407) 28.557 18.216 ( 5.476 3.162 6.789) 9.278 21.118 ( 4.439 2.563 0.317) 5.135 21.715 ( -0.831 -0.480 0.612) 1.138 21.939 ( 0.768 0.443 -0.442) 0.991 22.280 ( -12.332 -7.120 -9.763) 17.265 22.937 ( -5.325 -3.074 6.380) 8.861 23.673 ( -17.323 -10.002 -0.151) 20.004 ======================= Grid point 1559 (438/489) ======================= q-point: ( 0.35 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 0.000 16.803 48.106) 50.956 2.714 ( 0.000 32.607 48.926) 58.796 4.375 ( -0.000 15.355 -34.887) 38.117 4.404 ( -0.000 21.796 -34.059) 40.436 4.820 ( 0.000 39.554 88.586) 97.015 7.865 ( 0.000 0.575 13.241) 13.253 7.932 ( -0.000 5.509 -11.312) 12.582 8.377 ( -0.000 6.305 -22.648) 23.509 8.420 ( -0.000 5.244 -7.418) 9.085 8.703 ( -0.000 35.526 -37.014) 51.304 11.128 ( 0.000 -9.326 7.403) 11.907 12.803 ( -0.000 1.927 -0.015) 1.927 13.122 ( -0.000 23.914 -11.516) 26.543 15.398 ( 0.000 11.747 15.720) 19.624 17.269 ( -0.000 -37.596 -2.789) 37.699 21.684 ( 0.000 -3.595 2.848) 4.586 21.729 ( -0.000 0.936 -0.521) 1.071 21.955 ( 0.000 -0.751 0.093) 0.756 22.176 ( 0.000 17.117 2.165) 17.253 25.321 ( 0.000 -8.958 4.305) 9.939 25.540 ( -0.000 -10.396 -4.388) 11.284 ======================= Grid point 1560 (439/489) ======================= q-point: ( 0.41 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( 19.916 20.310 39.844) 48.956 3.288 ( 13.404 32.165 42.368) 54.857 4.477 ( 4.315 19.832 -33.368) 39.056 4.825 ( 22.923 23.600 -38.657) 50.762 5.721 ( 25.238 49.241 74.475) 92.780 7.873 ( 0.755 5.183 0.423) 5.254 8.114 ( 9.215 11.283 0.870) 14.593 8.387 ( 0.862 5.887 -14.420) 15.599 8.601 ( 12.670 14.113 -16.751) 25.304 9.248 ( 21.136 42.487 -23.313) 52.871 11.011 ( -4.273 -6.148 6.301) 9.785 12.858 ( 2.829 3.126 -0.102) 4.217 13.387 ( 7.143 11.845 -10.647) 17.455 15.684 ( 11.455 20.081 7.181) 24.208 16.667 ( -20.161 -34.700 -3.283) 40.266 21.634 ( -2.178 -4.838 7.570) 9.244 21.741 ( 0.256 1.533 -0.201) 1.567 21.939 ( -0.726 -0.900 0.042) 1.157 22.426 ( 6.869 12.830 3.455) 14.958 25.100 ( -10.174 -18.897 4.156) 21.861 25.406 ( -3.321 -5.500 -5.857) 8.694 ======================= Grid point 1561 (440/489) ======================= q-point: ( 0.47 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.659 ( 23.354 23.571 28.606) 43.810 3.998 ( 22.037 28.438 28.366) 45.815 4.745 ( 11.176 18.591 -26.315) 34.103 5.383 ( 23.946 19.002 -37.636) 48.487 6.861 ( 27.905 39.006 49.536) 68.949 8.107 ( 17.130 13.057 17.255) 27.598 8.313 ( -2.842 11.997 4.183) 13.019 8.608 ( 15.727 15.424 -7.212) 23.179 9.100 ( 28.259 24.467 -24.036) 44.440 10.080 ( 29.004 35.808 -14.170) 48.210 10.941 ( 0.932 0.709 -2.921) 3.147 12.956 ( 3.520 4.889 -0.259) 6.029 13.505 ( 2.200 1.659 -3.371) 4.353 15.946 ( -22.189 -21.855 -5.761) 31.673 16.231 ( 20.661 19.792 1.109) 28.633 21.546 ( -4.147 -6.041 11.433) 13.579 21.769 ( 0.737 2.253 0.249) 2.384 21.913 ( -1.338 -0.608 0.001) 1.469 22.631 ( 4.375 5.404 3.488) 7.779 24.667 ( -15.758 -19.417 0.086) 25.007 25.253 ( -6.158 -7.227 -4.056) 10.325 ======================= Grid point 1562 (441/489) ======================= q-point: ( 0.53 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.330 ( 16.632 26.859 12.588) 34.008 4.753 ( 26.855 24.932 11.686) 38.463 5.114 ( 16.978 13.823 -10.243) 24.171 5.854 ( 18.538 16.734 -32.643) 41.101 7.482 ( 8.217 8.820 26.967) 29.538 8.340 ( -4.522 11.443 -1.222) 12.365 8.980 ( 40.656 30.898 31.195) 59.839 9.063 ( 14.298 20.795 1.724) 25.295 9.950 ( 37.887 28.079 -12.482) 48.781 10.744 ( 16.013 18.694 -2.186) 24.711 11.147 ( 18.945 12.381 -25.451) 34.058 13.076 ( 3.480 6.640 -0.260) 7.501 13.616 ( 9.696 7.132 5.041) 13.050 15.349 ( -19.692 -16.789 -7.337) 26.898 16.839 ( 22.991 18.603 0.045) 29.574 21.418 ( -5.749 -7.210 11.327) 14.606 21.808 ( 0.348 2.715 0.632) 2.809 21.884 ( -1.484 0.315 -0.068) 1.519 22.705 ( 0.504 0.034 1.707) 1.780 24.186 ( -16.780 -17.411 -1.785) 24.246 25.013 ( -9.997 -10.398 -2.532) 14.645 ======================= Grid point 1563 (442/489) ======================= q-point: ( 0.59 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.815 ( 6.689 26.627 -6.342) 28.177 5.484 ( 27.599 21.636 -3.401) 35.233 5.579 ( 21.397 9.805 10.620) 25.822 6.238 ( 13.705 16.159 -23.401) 31.568 7.664 ( 2.813 1.238 23.928) 24.125 8.372 ( -4.071 10.919 -3.531) 12.177 9.512 ( 11.887 20.863 3.460) 24.260 10.006 ( 29.951 24.449 8.980) 39.692 10.620 ( 13.685 8.936 13.759) 21.364 11.286 ( 18.949 11.739 9.547) 24.249 11.680 ( 40.033 28.624 -40.413) 63.680 13.211 ( 3.063 8.482 -0.064) 9.018 14.079 ( 22.698 15.003 16.269) 31.701 14.906 ( -10.379 -8.160 -13.934) 19.196 17.384 ( 20.187 12.513 1.618) 23.806 21.258 ( -5.987 -7.540 7.908) 12.459 21.817 ( -2.187 1.636 0.684) 2.815 21.887 ( 0.210 2.686 -0.010) 2.694 22.670 ( -2.420 -3.135 -0.893) 4.060 23.726 ( -15.947 -15.240 -0.897) 22.076 24.681 ( -13.398 -13.140 -1.430) 18.820 ======================= Grid point 1564 (443/489) ======================= q-point: ( 0.65 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.104 ( 0.717 23.337 -13.704) 27.073 6.068 ( 19.774 5.983 17.628) 27.158 6.134 ( 24.952 18.271 -13.381) 33.697 6.555 ( 8.665 15.287 -11.327) 20.907 7.778 ( 2.804 2.789 22.445) 22.791 8.399 ( -4.044 10.274 -5.793) 12.469 9.906 ( 8.815 17.865 4.030) 20.325 10.424 ( 4.117 5.455 -20.644) 21.746 10.777 ( -3.366 3.565 13.140) 14.025 11.841 ( 29.308 13.980 26.787) 42.094 12.811 ( 50.808 32.894 -25.948) 65.854 13.355 ( 2.241 10.894 0.343) 11.127 14.286 ( -10.295 -5.333 14.236) 18.360 15.133 ( 32.623 16.364 -10.029) 37.850 17.806 ( 16.145 6.337 3.435) 17.681 21.111 ( -3.504 -6.333 3.691) 8.125 21.788 ( -2.941 1.774 0.608) 3.488 21.922 ( 0.103 2.944 -0.032) 2.946 22.561 ( -4.660 -4.660 -4.418) 7.934 23.318 ( -13.846 -12.787 2.018) 18.955 24.277 ( -15.679 -14.789 -0.715) 21.565 ======================= Grid point 1565 (444/489) ======================= q-point: ( 0.71 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.269 ( -3.175 20.110 -13.624) 24.497 6.429 ( 12.081 -1.105 18.185) 21.860 6.650 ( 18.802 13.769 -23.884) 33.370 6.811 ( 4.912 15.911 4.741) 17.314 7.955 ( 6.903 6.429 16.974) 19.419 8.405 ( -4.887 9.201 -6.854) 12.471 10.117 ( -1.805 -1.365 -6.514) 6.896 10.363 ( -2.755 10.239 -14.391) 17.876 10.815 ( -3.782 10.316 12.504) 16.645 12.559 ( 26.934 10.591 26.891) 39.506 13.470 ( 1.408 11.192 -0.634) 11.298 13.786 ( 15.079 10.108 -0.566) 18.162 14.167 ( 14.399 10.167 -11.690) 21.151 15.877 ( 31.926 12.756 0.134) 34.380 18.094 ( 11.347 0.446 4.745) 12.308 21.050 ( 2.354 -3.607 0.790) 4.379 21.755 ( -2.893 1.504 0.638) 3.323 21.942 ( -0.403 1.333 -0.390) 1.446 22.383 ( -8.575 -5.220 -8.257) 12.998 23.017 ( -8.166 -8.143 5.259) 12.674 23.842 ( -15.929 -14.592 -0.216) 21.603 ======================= Grid point 1577 (445/489) ======================= q-point: ( 0.41 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.083 ( 0.000 23.052 37.416) 43.947 3.621 ( 0.000 33.215 41.766) 53.363 4.648 ( -0.000 26.441 -32.409) 41.827 4.750 ( -0.000 26.592 -36.670) 45.297 6.250 ( 0.000 61.101 66.718) 90.469 7.936 ( 0.000 -0.135 13.486) 13.487 8.133 ( -0.000 28.231 -32.035) 42.700 8.471 ( -0.000 9.008 -5.224) 10.413 8.564 ( -0.000 12.734 -7.190) 14.623 9.530 ( -0.000 53.951 -21.082) 57.924 10.997 ( 0.000 -5.718 3.819) 6.876 12.864 ( 0.000 3.869 0.496) 3.900 13.430 ( -0.000 9.945 -7.265) 12.316 15.832 ( 0.000 25.475 4.890) 25.940 16.446 ( -0.000 -38.152 -4.386) 38.404 21.620 ( 0.000 -5.325 8.394) 9.941 21.751 ( -0.000 1.491 -0.472) 1.564 21.932 ( -0.000 -1.473 -0.096) 1.476 22.516 ( 0.000 13.025 3.014) 13.369 24.976 ( 0.000 -24.123 3.355) 24.356 25.360 ( -0.000 -6.490 -5.082) 8.243 ======================= Grid point 1578 (446/489) ======================= q-point: ( 0.47 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.577 ( 18.527 23.377 29.598) 42.021 4.118 ( 9.051 30.842 32.073) 45.408 4.816 ( 0.105 26.817 -28.484) 39.122 5.147 ( 17.777 24.704 -31.019) 43.456 7.113 ( 9.460 52.052 44.110) 68.881 8.039 ( 9.669 8.815 16.874) 21.353 8.482 ( 4.242 15.551 -19.374) 25.202 8.563 ( 4.129 30.095 0.901) 30.390 8.885 ( 18.707 20.514 -10.000) 29.509 10.132 ( 10.791 50.114 -18.117) 54.370 10.945 ( -1.251 -0.476 -2.208) 2.582 12.943 ( 3.495 5.058 0.450) 6.165 13.497 ( 0.770 3.868 -2.509) 4.674 15.945 ( -9.417 -31.917 -4.755) 33.616 16.224 ( 7.924 28.983 0.631) 30.053 21.562 ( -2.280 -6.583 10.039) 12.219 21.777 ( 1.003 2.063 -0.198) 2.303 21.915 ( -0.089 -1.396 -0.141) 1.405 22.649 ( 1.640 6.870 2.600) 7.527 24.654 ( -8.022 -24.389 0.916) 25.691 25.246 ( -3.312 -8.702 -3.678) 10.011 ======================= Grid point 1579 (447/489) ======================= q-point: ( 0.53 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.274 ( 24.104 24.989 17.988) 39.103 4.706 ( 16.213 28.245 20.032) 38.235 5.061 ( 4.742 23.312 -19.286) 30.624 5.650 ( 18.606 22.459 -26.001) 39.072 7.567 ( 0.388 13.748 15.183) 20.486 8.512 ( 3.344 6.228 -0.941) 7.131 8.789 ( 24.875 42.232 29.252) 57.079 9.071 ( 12.690 28.319 1.264) 31.058 9.619 ( 32.651 35.036 -7.445) 48.467 10.740 ( 10.765 32.070 -10.294) 35.360 10.986 ( 6.065 9.140 -17.570) 20.713 13.081 ( 4.662 7.338 0.210) 8.696 13.578 ( 4.232 8.137 2.611) 9.536 15.432 ( -13.612 -23.394 -5.846) 27.690 16.721 ( 14.603 25.187 0.029) 29.115 21.451 ( -4.381 -8.281 9.571) 13.392 21.826 ( 1.448 3.082 0.246) 3.414 21.901 ( -0.305 -0.511 -0.112) 0.605 22.707 ( -0.028 0.592 1.524) 1.635 24.236 ( -11.975 -21.815 -0.787) 24.898 25.042 ( -7.090 -12.082 -2.352) 14.204 ======================= Grid point 1580 (448/489) ======================= q-point: ( 0.59 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.937 ( 15.562 28.378 -1.408) 32.396 5.344 ( 20.752 22.671 16.820) 35.036 5.374 ( 10.967 20.180 -8.349) 24.437 6.113 ( 15.308 20.241 -20.273) 32.481 7.694 ( 1.647 5.112 12.799) 13.880 8.569 ( -3.494 9.743 -0.142) 10.351 9.571 ( 11.391 26.314 5.342) 29.167 9.775 ( 30.072 32.929 10.301) 45.768 10.495 ( 21.808 22.994 16.375) 35.671 11.133 ( 13.448 14.607 1.043) 19.882 11.323 ( 21.895 27.629 -36.593) 50.811 13.252 ( 4.231 10.503 0.293) 11.327 13.912 ( 17.053 18.871 8.500) 26.818 14.983 ( -12.712 -15.283 -8.220) 21.511 17.209 ( 15.622 16.890 0.768) 23.020 21.290 ( -5.576 -9.356 6.706) 12.790 21.873 ( -0.915 2.868 0.742) 3.100 21.905 ( 0.974 2.062 -0.272) 2.297 22.672 ( -2.038 -3.634 0.052) 4.167 23.804 ( -12.975 -18.873 -0.815) 22.918 24.742 ( -10.556 -15.361 -1.316) 18.684 ======================= Grid point 1581 (449/489) ======================= q-point: ( 0.65 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.342 ( 1.270 27.453 -12.541) 30.209 5.807 ( 20.714 10.695 -0.208) 23.313 5.977 ( 17.780 25.370 10.565) 32.732 6.508 ( 12.092 17.744 -12.583) 24.888 7.816 ( 2.663 5.699 13.668) 15.046 8.598 ( -4.933 10.847 -0.541) 11.928 10.009 ( 6.570 23.358 8.808) 25.814 10.351 ( 8.450 10.978 -20.635) 24.854 10.883 ( 4.033 12.617 14.719) 19.802 11.546 ( 23.589 11.338 16.548) 30.965 12.277 ( 43.535 40.906 -23.176) 64.076 13.443 ( 3.167 13.896 0.931) 14.282 14.411 ( 1.826 3.218 22.460) 22.762 14.773 ( 15.206 7.907 -20.190) 26.483 17.603 ( 14.389 7.844 1.858) 16.493 21.112 ( -4.687 -8.934 3.183) 10.580 21.867 ( -2.647 2.912 0.561) 3.975 21.953 ( 0.461 3.182 0.011) 3.215 22.572 ( -3.478 -5.431 -2.117) 6.787 23.402 ( -12.108 -16.054 0.661) 20.119 24.361 ( -13.011 -17.652 -0.614) 21.938 ======================= Grid point 1582 (450/489) ======================= q-point: ( 0.71 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.541 ( -3.535 22.122 -9.218) 24.225 6.247 ( 17.024 8.677 -1.214) 19.146 6.506 ( 12.523 22.201 0.497) 25.495 6.843 ( 9.117 15.183 -2.733) 17.920 7.973 ( 3.808 8.213 12.112) 15.121 8.610 ( -6.046 10.711 -1.614) 12.405 10.176 ( -5.827 0.089 -6.286) 8.571 10.471 ( 2.147 17.782 -7.514) 19.423 11.065 ( -3.069 18.676 6.358) 19.966 12.219 ( 29.604 11.208 20.923) 37.945 13.334 ( 35.772 27.002 -15.381) 47.385 13.657 ( 4.996 15.958 3.015) 16.991 14.244 ( -10.379 0.406 3.190) 10.865 15.418 ( 33.128 12.951 -1.239) 35.592 17.881 ( 12.394 -0.759 2.582) 12.683 20.981 ( -0.800 -7.029 0.765) 7.115 21.840 ( -4.030 2.209 0.606) 4.635 21.970 ( -1.040 0.908 -0.194) 1.395 22.439 ( -5.093 -3.883 -5.362) 8.353 23.073 ( -8.713 -12.052 3.168) 15.205 23.937 ( -13.859 -18.058 -0.155) 22.764 ======================= Grid point 1595 (451/489) ======================= q-point: ( 0.47 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.699 ( 0.000 22.070 26.963) 34.844 4.413 ( 0.000 28.799 24.733) 37.961 5.107 ( -0.000 31.451 -27.635) 41.867 5.139 ( -0.000 25.727 -18.093) 31.452 7.675 ( 0.000 46.034 18.798) 49.724 7.991 ( 0.000 -0.154 12.774) 12.775 8.705 ( 0.000 34.084 4.479) 34.377 8.860 ( -0.000 18.630 -5.585) 19.449 8.877 ( -0.000 40.477 -2.495) 40.553 10.532 ( -0.000 49.979 -18.713) 53.367 10.958 ( -0.000 3.249 -6.499) 7.266 12.961 ( 0.000 5.217 0.964) 5.306 13.540 ( -0.000 6.531 -0.056) 6.531 15.681 ( -0.000 -31.599 -5.025) 31.996 16.475 ( -0.000 31.889 0.132) 31.889 21.537 ( 0.000 -7.361 9.681) 12.162 21.783 ( -0.000 1.781 -0.416) 1.829 21.896 ( -0.000 -1.907 -0.263) 1.925 22.703 ( 0.000 4.183 1.496) 4.442 24.469 ( 0.000 -25.378 0.642) 25.386 25.171 ( -0.000 -10.752 -2.879) 11.131 ======================= Grid point 1596 (452/489) ======================= q-point: ( 0.53 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.154 ( 18.900 21.262 21.066) 35.399 4.808 ( 7.503 26.440 13.987) 30.839 5.286 ( -2.272 29.315 -15.092) 33.050 5.563 ( 13.615 26.826 -16.178) 34.157 7.794 ( -8.925 10.214 1.663) 13.666 8.323 ( 18.113 5.925 -2.301) 19.196 9.067 ( 5.087 36.432 12.292) 38.785 9.210 ( 6.320 29.041 8.853) 31.011 9.560 ( 19.271 52.975 10.911) 57.418 10.969 ( 2.399 37.986 -20.132) 43.058 10.996 ( -0.023 9.348 -12.718) 15.784 13.063 ( 4.666 6.319 0.822) 7.898 13.654 ( 1.194 15.508 2.228) 15.713 15.320 ( -4.960 -26.814 -5.064) 27.735 16.839 ( 4.727 29.680 0.033) 30.054 21.451 ( -2.913 -8.726 8.231) 12.344 21.819 ( 1.972 2.023 -0.292) 2.840 21.884 ( 0.797 -1.395 -0.128) 1.612 22.720 ( -0.736 -0.367 0.640) 1.042 24.163 ( -6.043 -23.415 0.099) 24.183 25.006 ( -4.080 -13.623 -1.941) 14.353 ======================= Grid point 1597 (453/489) ======================= q-point: ( 0.59 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.823 ( 25.274 21.742 12.213) 35.506 5.265 ( 12.336 21.079 9.335) 26.147 5.555 ( 2.554 30.469 -10.087) 32.196 6.035 ( 13.850 23.271 -11.953) 29.602 7.776 ( -2.278 6.316 1.673) 6.920 8.585 ( 9.137 2.502 -3.256) 10.017 9.625 ( 15.562 25.797 -0.673) 30.135 9.725 ( 14.715 31.535 14.082) 37.540 10.489 ( 18.908 42.516 24.196) 52.446 11.099 ( 3.861 10.669 -8.599) 14.237 11.329 ( 7.344 36.298 -28.007) 46.432 13.251 ( 7.329 9.021 0.422) 11.631 13.946 ( 6.819 26.953 4.198) 28.117 14.960 ( -6.830 -20.301 -5.522) 22.119 17.212 ( 6.754 22.302 0.319) 23.304 21.300 ( -5.038 -9.783 5.295) 12.212 21.883 ( 2.857 0.730 -0.595) 3.008 21.899 ( 1.138 1.889 0.605) 2.287 22.671 ( -2.206 -4.186 0.261) 4.739 23.799 ( -9.395 -20.543 -0.137) 22.590 24.740 ( -8.114 -16.731 -1.100) 18.627 ======================= Grid point 1598 (454/489) ======================= q-point: ( 0.65 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.468 ( 17.642 24.829 -1.097) 30.478 5.620 ( 8.064 10.705 5.169) 14.365 6.018 ( 14.372 31.880 0.078) 34.970 6.454 ( 11.921 19.327 -7.962) 24.063 7.858 ( 2.711 7.411 3.514) 8.638 8.714 ( 2.246 4.765 -0.555) 5.297 10.126 ( 10.394 21.845 12.709) 27.327 10.247 ( 13.440 13.460 -10.439) 21.698 10.977 ( 5.420 17.412 0.701) 18.250 11.382 ( 12.099 17.367 11.312) 24.000 12.055 ( 28.196 49.096 -15.245) 58.633 13.497 ( 7.353 12.977 0.417) 14.921 14.426 ( 11.546 23.576 15.071) 30.270 14.665 ( -3.633 -8.940 -15.343) 18.125 17.513 ( 6.988 12.320 0.676) 14.180 21.114 ( -5.439 -9.558 2.228) 11.221 21.917 ( 0.675 1.492 0.067) 1.639 21.962 ( 1.585 2.547 0.122) 3.003 22.569 ( -3.102 -5.960 -0.197) 6.722 23.428 ( -10.279 -17.678 0.072) 20.449 24.383 ( -11.110 -19.192 -0.472) 22.181 ======================= Grid point 1599 (455/489) ======================= q-point: ( 0.71 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.753 ( -1.320 12.853 0.357) 12.926 6.033 ( 18.818 16.906 -7.353) 26.344 6.592 ( 12.233 29.038 5.465) 31.979 6.815 ( 10.305 15.904 -3.435) 19.259 8.019 ( 4.163 9.385 4.258) 11.115 8.770 ( -1.693 5.654 0.349) 5.912 10.250 ( -4.096 -1.714 -4.048) 6.009 10.609 ( 6.719 22.815 -1.254) 23.816 11.268 ( 5.254 20.735 1.500) 21.443 11.904 ( 22.933 16.381 8.479) 29.431 13.026 ( 30.704 37.968 -6.638) 49.279 13.746 ( 4.102 12.889 2.025) 13.676 14.417 ( -6.039 -0.097 2.073) 6.385 15.052 ( 23.065 18.141 -1.443) 29.380 17.706 ( 6.812 1.429 0.784) 7.004 20.944 ( -3.494 -8.003 0.305) 8.738 21.929 ( -2.962 1.950 0.413) 3.571 21.978 ( 0.073 -1.427 -0.186) 1.441 22.463 ( -2.669 -3.052 -1.863) 4.462 23.096 ( -8.541 -14.137 1.033) 16.549 23.972 ( -12.366 -19.980 -0.054) 23.497 ======================= Grid point 1613 (456/489) ======================= q-point: ( 0.53 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.224 ( 0.000 18.680 19.438) 26.958 5.046 ( 0.000 26.964 9.751) 28.673 5.623 ( -0.000 30.331 -23.999) 38.677 5.647 ( 0.000 26.168 4.394) 26.534 8.064 ( 0.000 1.571 12.313) 12.413 8.080 ( -0.000 6.945 -23.080) 24.102 9.241 ( -0.000 20.473 -4.079) 20.876 9.552 ( 0.000 32.676 17.328) 36.987 10.088 ( 0.000 65.539 27.358) 71.020 11.068 ( -0.000 13.053 -18.399) 22.559 11.279 ( -0.000 32.731 -19.286) 37.990 13.081 ( 0.000 5.988 1.148) 6.097 13.868 ( 0.000 27.944 1.528) 27.986 15.077 ( -0.000 -25.675 -4.217) 26.019 17.109 ( -0.000 29.277 -0.019) 29.277 21.405 ( 0.000 -9.286 6.465) 11.315 21.811 ( -0.000 0.569 -0.660) 0.871 21.861 ( -0.000 -0.781 -0.042) 0.782 22.714 ( 0.000 -2.860 0.181) 2.866 23.981 ( 0.000 -22.512 0.471) 22.517 24.892 ( -0.000 -15.649 -1.373) 15.709 ======================= Grid point 1614 (457/489) ======================= q-point: ( 0.59 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.633 ( 19.731 17.130 16.252) 30.772 5.386 ( 4.668 26.512 9.655) 28.599 5.812 ( -1.796 27.191 -13.367) 30.352 6.051 ( 10.150 24.666 -2.513) 26.791 7.906 ( -7.102 4.102 -7.193) 10.909 8.350 ( 15.580 0.799 -4.083) 16.126 9.568 ( 13.723 20.827 -4.082) 25.274 9.903 ( 3.260 22.297 19.116) 29.550 10.789 ( 4.740 39.098 5.067) 39.709 11.207 ( 0.933 22.733 12.094) 25.766 11.586 ( 1.952 42.002 -29.359) 51.282 13.204 ( 6.328 7.081 0.785) 9.529 14.221 ( 1.110 38.007 -0.309) 38.024 14.803 ( -1.994 -22.231 -2.729) 22.487 17.396 ( 0.716 24.605 -0.163) 24.616 21.289 ( -3.445 -9.532 3.713) 10.794 21.828 ( 2.440 -1.176 -0.814) 2.828 21.884 ( 2.153 1.597 0.360) 2.705 22.659 ( -1.576 -5.375 0.685) 5.643 23.717 ( -4.915 -20.424 0.253) 21.008 24.676 ( -4.719 -18.035 -0.784) 18.659 ======================= Grid point 1615 (458/489) ======================= q-point: ( 0.65 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.258 ( 25.698 15.172 11.214) 31.880 5.752 ( 2.981 22.844 11.373) 25.692 6.085 ( 8.417 26.142 -15.180) 31.380 6.459 ( 9.824 20.644 0.259) 22.864 7.887 ( 1.064 5.944 -6.170) 8.633 8.602 ( 12.228 0.779 -1.974) 12.411 10.072 ( 19.505 18.763 -8.614) 28.402 10.192 ( 5.331 8.298 23.549) 25.531 10.993 ( 5.063 7.599 -16.465) 18.827 11.585 ( -0.486 32.823 9.291) 34.116 12.203 ( 13.589 56.589 -5.245) 58.434 13.447 ( 10.806 10.098 -0.212) 14.791 14.553 ( -1.072 -15.420 -9.970) 18.394 14.649 ( 1.400 36.302 7.151) 37.026 17.612 ( -0.526 16.731 -0.428) 16.744 21.120 ( -5.355 -8.783 1.111) 10.346 21.871 ( 3.750 -0.834 -0.579) 3.885 21.952 ( 2.566 2.030 0.315) 3.287 22.559 ( -2.740 -6.678 1.670) 7.409 23.406 ( -7.789 -17.890 -0.439) 19.517 24.360 ( -8.813 -20.053 -0.285) 21.906 ======================= Grid point 1631 (459/489) ======================= q-point: ( 0.59 0.59 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.643 ( 0.000 14.483 15.572) 21.266 5.657 ( 0.000 28.242 13.320) 31.225 6.089 ( -0.000 25.951 -22.757) 34.516 6.176 ( 0.000 21.240 8.893) 23.026 8.015 ( -0.000 0.454 -25.842) 25.846 8.165 ( 0.000 2.523 11.723) 11.991 9.633 ( -0.000 19.155 -2.763) 19.353 10.107 ( 0.000 12.777 22.054) 25.488 10.928 ( -0.000 4.221 -22.201) 22.598 11.614 ( 0.000 38.867 22.475) 44.898 12.011 ( -0.000 59.203 -17.126) 61.630 13.210 ( 0.000 6.105 0.931) 6.176 14.553 ( -0.000 -0.889 -22.721) 22.738 14.677 ( 0.000 24.329 18.169) 30.364 17.640 ( -0.000 22.770 -0.897) 22.787 21.235 ( 0.000 -8.583 1.815) 8.773 21.786 ( -0.000 -1.861 -0.846) 2.045 21.878 ( 0.000 1.640 0.247) 1.659 22.615 ( 0.000 -6.800 2.009) 7.091 23.558 ( 0.000 -19.265 -0.216) 19.266 24.527 ( -0.000 -19.601 -0.416) 19.605 ======================= Grid point 1632 (460/489) ======================= q-point: (-0.35 -0.41 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.004 ( 19.885 12.295 14.238) 27.373 6.000 ( 1.795 27.184 17.356) 32.302 6.225 ( -2.155 20.559 -18.700) 27.874 6.505 ( 8.939 18.887 2.214) 21.013 7.919 ( -2.010 3.492 -16.418) 16.905 8.364 ( 13.320 0.936 3.216) 13.735 9.934 ( 12.701 16.425 -4.020) 21.148 10.255 ( 1.336 2.994 25.658) 25.866 10.897 ( 3.908 -1.525 -19.342) 19.791 11.981 ( -2.659 35.957 -9.386) 37.257 12.674 ( 3.341 61.346 9.492) 62.166 13.356 ( 8.792 7.656 0.113) 11.659 14.369 ( 0.147 -16.680 -8.355) 18.656 15.083 ( -2.197 41.819 3.338) 42.009 17.825 ( -2.688 17.744 -1.800) 18.037 21.124 ( -3.743 -6.706 0.065) 7.680 21.793 ( 2.976 -1.670 -0.743) 3.492 21.921 ( 2.544 1.521 0.271) 2.976 22.532 ( -1.601 -7.784 3.911) 8.858 23.331 ( -4.106 -17.241 -1.554) 17.791 24.275 ( -4.980 -20.915 -0.072) 21.500 ======================= Grid point 1649 (461/489) ======================= q-point: (-0.35 -0.35 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.962 ( 0.000 9.981 14.198) 17.355 6.311 ( 0.000 27.246 21.773) 34.877 6.455 ( -0.000 20.348 -22.883) 30.621 6.539 ( 0.000 10.294 3.577) 10.898 7.928 ( -0.000 4.173 -23.574) 23.941 8.264 ( 0.000 1.768 10.698) 10.843 9.979 ( -0.000 15.495 -1.592) 15.577 10.299 ( 0.000 -5.370 26.943) 27.473 10.777 ( -0.000 -2.931 -19.643) 19.861 12.330 ( -0.000 34.307 -21.809) 40.653 13.299 ( 0.000 56.743 16.087) 58.979 13.331 ( 0.000 5.316 0.403) 5.331 14.192 ( -0.000 -13.243 -6.166) 14.608 15.536 ( 0.000 40.261 1.240) 40.280 18.018 ( -0.000 15.210 -3.391) 15.583 21.107 ( -0.000 -3.431 -0.644) 3.491 21.745 ( -0.000 -1.651 -0.738) 1.808 21.913 ( 0.000 1.489 0.343) 1.528 22.472 ( 0.000 -9.201 6.402) 11.209 23.194 ( -0.000 -15.418 -3.394) 15.787 24.103 ( 0.000 -21.565 0.127) 21.565 ======================= Grid point 1849 (462/489) ======================= q-point: ( 0.35 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 0.000 0.000 52.035) 52.035 2.420 ( 0.000 0.000 52.035) 52.035 4.110 ( -0.000 -0.000 -37.529) 37.529 4.110 ( -0.000 -0.000 -37.529) 37.529 4.641 ( 0.000 0.000 104.678) 104.678 7.907 ( 0.000 0.000 12.452) 12.452 7.907 ( 0.000 0.000 12.452) 12.452 8.083 ( -0.000 -0.000 -85.525) 85.525 8.340 ( -0.000 -0.000 -7.929) 7.929 8.340 ( -0.000 -0.000 -7.929) 7.929 11.260 ( 0.000 0.000 1.455) 1.455 12.786 ( -0.000 -0.000 -0.265) 0.265 12.786 ( -0.000 -0.000 -0.265) 0.265 15.339 ( 0.000 0.000 18.821) 18.821 17.714 ( -0.000 -0.000 -5.066) 5.066 21.716 ( -0.000 -0.000 -0.418) 0.418 21.716 ( -0.000 -0.000 -0.418) 0.418 21.962 ( 0.000 0.000 0.154) 0.154 21.962 ( 0.000 0.000 0.154) 0.154 25.387 ( 0.000 0.000 1.369) 1.369 25.684 ( -0.000 -0.000 -1.303) 1.303 ======================= Grid point 1850 (463/489) ======================= q-point: ( 0.41 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( 16.916 9.766 46.141) 50.105 2.857 ( 24.293 14.026 47.765) 55.393 4.121 ( 9.704 5.603 -36.446) 38.130 4.328 ( 23.738 13.705 -39.151) 47.793 5.236 ( 28.788 16.621 91.587) 97.433 7.750 ( 0.455 0.263 -34.157) 34.161 8.041 ( 6.497 3.751 12.751) 14.794 8.275 ( 14.792 8.540 -24.652) 29.991 8.308 ( 0.525 0.303 -9.818) 9.836 8.597 ( 26.287 15.177 -14.569) 33.669 11.152 ( -7.761 -4.481 5.209) 10.366 12.815 ( 2.200 1.270 -0.478) 2.585 13.075 ( 19.464 11.237 -7.530) 23.703 15.466 ( 8.397 4.848 13.391) 16.532 17.255 ( -32.344 -18.674 -2.956) 37.465 21.702 ( -1.603 -0.926 1.624) 2.463 21.719 ( 0.518 0.299 -0.115) 0.609 21.953 ( -0.769 -0.444 0.158) 0.902 22.184 ( 14.950 8.631 1.577) 17.335 25.344 ( -6.132 -3.541 4.015) 8.140 25.520 ( -10.501 -6.063 -4.167) 12.822 ======================= Grid point 1851 (464/489) ======================= q-point: ( 0.47 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.356 ( 23.127 13.353 33.657) 42.965 3.598 ( 28.604 16.514 37.098) 49.671 4.374 ( 17.873 10.319 -28.637) 35.299 4.908 ( 30.223 17.449 -41.417) 54.160 6.311 ( 43.147 24.911 67.707) 84.062 7.889 ( 16.585 9.575 -11.357) 22.265 8.186 ( 1.428 0.824 5.316) 5.566 8.403 ( 11.546 6.666 -4.485) 14.066 8.626 ( 22.907 13.226 -26.679) 37.569 9.416 ( 42.255 24.396 -11.527) 50.135 10.989 ( -5.949 -3.435 3.773) 7.838 12.883 ( 3.685 2.127 -0.631) 4.301 13.420 ( 9.202 5.313 -6.290) 12.348 15.836 ( 20.617 11.903 4.231) 24.180 16.439 ( -32.702 -18.881 -3.267) 37.902 21.650 ( -3.690 -2.131 6.264) 7.576 21.739 ( 1.158 0.669 0.250) 1.360 21.928 ( -1.371 -0.791 0.136) 1.588 22.511 ( 10.789 6.229 3.264) 12.879 24.999 ( -20.716 -11.961 2.276) 24.029 25.346 ( -5.501 -3.176 -4.466) 7.765 ======================= Grid point 1852 (465/489) ======================= q-point: ( 0.53 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.952 ( 21.773 12.570 14.153) 28.851 4.354 ( 29.855 17.237 19.996) 39.853 4.807 ( 22.580 13.036 -10.578) 28.137 5.458 ( 24.213 13.979 -37.476) 46.756 7.312 ( 25.420 14.677 39.222) 48.989 8.196 ( 0.575 0.332 -4.060) 4.114 8.523 ( 36.972 21.346 25.231) 49.590 8.758 ( 17.288 9.981 2.181) 20.081 9.316 ( 42.485 24.529 -33.302) 59.293 10.360 ( 34.758 20.067 -1.741) 40.173 10.950 ( 5.271 3.043 -7.513) 9.669 12.980 ( 4.632 2.674 -0.705) 5.394 13.534 ( 4.579 2.644 0.372) 5.301 15.671 ( -26.710 -15.421 -4.639) 31.189 16.481 ( 27.090 15.641 0.128) 31.281 21.553 ( -6.170 -3.562 8.367) 10.989 21.772 ( 1.479 0.854 0.548) 1.793 21.891 ( -1.641 -0.947 0.094) 1.897 22.686 ( 3.639 2.101 2.768) 5.032 24.492 ( -21.685 -12.520 -1.254) 25.071 25.167 ( -9.370 -5.410 -2.559) 11.118 ======================= Grid point 1853 (466/489) ======================= q-point: ( 0.59 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.420 ( 17.135 9.893 -4.694) 20.335 5.083 ( 29.734 17.167 2.339) 34.414 5.360 ( 23.833 13.760 9.393) 29.079 5.891 ( 19.735 11.394 -27.645) 35.826 7.706 ( 5.313 3.067 29.211) 29.848 8.211 ( 1.892 1.093 -7.759) 8.061 9.189 ( 18.393 10.619 2.879) 21.433 9.555 ( 39.763 22.957 18.004) 49.318 10.335 ( 39.020 22.528 -5.121) 45.346 10.934 ( 25.733 14.857 0.860) 29.726 11.267 ( 18.960 10.947 -21.321) 30.560 13.094 ( 5.145 2.970 -0.690) 5.981 13.816 ( 20.988 12.117 8.135) 25.563 15.099 ( -20.452 -11.808 -6.941) 24.615 17.106 ( 24.875 14.362 0.524) 28.728 21.402 ( -7.950 -4.590 6.818) 11.435 21.800 ( 0.302 0.174 0.788) 0.862 21.861 ( -0.435 -0.251 -0.066) 0.506 22.710 ( -1.536 -0.887 0.625) 1.881 23.998 ( -19.856 -11.464 -1.747) 22.994 24.891 ( -13.617 -7.862 -1.331) 15.780 ======================= Grid point 1854 (467/489) ======================= q-point: ( 0.65 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.745 ( 12.606 7.278 -12.943) 19.479 5.748 ( 27.588 15.928 -12.286) 34.143 5.937 ( 21.796 12.584 19.757) 31.996 6.262 ( 15.898 9.179 -15.496) 24.023 7.826 ( 0.807 0.466 27.534) 27.550 8.242 ( 2.289 1.322 -9.874) 10.222 9.614 ( 16.904 9.759 2.405) 19.667 10.233 ( 15.611 9.013 -12.018) 21.665 10.787 ( 3.122 1.803 16.026) 16.427 11.611 ( 23.330 13.470 18.922) 32.920 12.064 ( 56.915 32.860 -28.169) 71.502 13.216 ( 5.213 3.010 -0.587) 6.048 14.386 ( 6.484 3.743 23.406) 24.574 14.811 ( 13.165 7.601 -19.077) 24.393 17.629 ( 19.287 11.136 2.048) 22.365 21.230 ( -7.242 -4.181 3.435) 9.040 21.780 ( -1.592 -0.919 0.733) 1.979 21.880 ( 1.460 0.843 -0.116) 1.690 22.630 ( -4.860 -2.806 -2.414) 6.109 23.557 ( -17.403 -10.048 0.179) 20.096 24.527 ( -17.000 -9.815 -0.559) 19.637 ======================= Grid point 1867 (468/489) ======================= q-point: ( 0.41 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( 0.000 13.977 45.844) 47.927 3.057 ( 0.000 31.300 48.131) 57.413 4.119 ( -0.000 16.471 -37.149) 40.637 4.136 ( -0.000 20.741 -40.078) 45.127 5.462 ( 0.000 32.491 90.919) 96.550 7.671 ( -0.000 6.814 -60.555) 60.937 7.959 ( 0.000 0.913 13.322) 13.353 8.282 ( -0.000 10.699 -2.311) 10.945 8.363 ( -0.000 5.276 -8.721) 10.192 8.529 ( -0.000 34.588 -15.654) 37.966 11.168 ( 0.000 -8.069 3.936) 8.978 12.803 ( 0.000 2.053 0.164) 2.060 13.062 ( -0.000 21.324 -5.973) 22.144 15.496 ( 0.000 9.083 11.805) 14.895 17.248 ( -0.000 -37.202 -2.930) 37.317 21.700 ( 0.000 -1.619 1.608) 2.281 21.725 ( -0.000 0.925 -0.489) 1.046 21.955 ( 0.000 -0.792 0.031) 0.792 22.188 ( 0.000 17.833 1.191) 17.873 25.351 ( 0.000 -6.736 4.054) 7.862 25.510 ( -0.000 -12.897 -3.982) 13.498 ======================= Grid point 1868 (469/489) ======================= q-point: ( 0.47 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.229 ( 17.540 17.298 36.697) 44.199 3.589 ( 10.605 29.672 42.514) 52.918 4.240 ( 6.060 21.033 -32.748) 39.389 4.547 ( 22.481 24.915 -39.712) 51.992 6.244 ( 21.108 41.330 72.611) 86.175 7.740 ( 8.689 19.172 -39.516) 44.772 8.126 ( 12.601 3.309 6.091) 14.382 8.316 ( -2.339 6.335 -6.652) 9.479 8.514 ( 8.372 15.248 -7.822) 19.073 9.125 ( 22.591 41.762 -12.139) 49.008 11.045 ( -4.619 -7.090 3.567) 9.183 12.858 ( 2.594 3.321 -0.067) 4.214 13.330 ( 7.543 12.798 -5.542) 15.855 15.731 ( 9.908 17.510 5.751) 20.925 16.644 ( -20.307 -35.267 -2.920) 40.800 21.675 ( -1.266 -2.901 4.075) 5.160 21.739 ( 0.460 1.495 -0.155) 1.572 21.939 ( -0.692 -0.961 0.026) 1.185 22.445 ( 7.265 13.191 2.101) 15.205 25.128 ( -11.160 -20.185 3.717) 23.362 25.369 ( -2.913 -4.822 -4.596) 7.270 ======================= Grid point 1869 (470/489) ======================= q-point: ( 0.53 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.834 ( 19.036 21.359 18.814) 34.242 4.198 ( 17.194 25.324 27.119) 40.895 4.585 ( 15.904 19.354 -17.101) 30.330 5.125 ( 23.734 22.028 -34.389) 47.235 7.187 ( 21.520 28.828 40.745) 54.353 8.205 ( 21.230 21.706 9.247) 31.739 8.321 ( 0.559 14.105 -1.326) 14.179 8.558 ( 22.329 14.779 -7.260) 27.743 8.935 ( 21.814 26.386 -20.048) 39.673 10.007 ( 31.945 35.254 -6.526) 48.020 10.928 ( -1.997 -2.591 -0.861) 3.383 12.953 ( 3.359 5.075 -0.396) 6.099 13.489 ( 3.569 3.181 -1.403) 4.982 15.915 ( -22.790 -22.923 -2.912) 32.455 16.237 ( 20.147 19.497 0.498) 28.041 21.606 ( -3.459 -5.010 5.766) 8.386 21.771 ( 0.904 2.233 0.277) 2.425 21.913 ( -1.315 -0.667 0.049) 1.476 22.652 ( 4.380 5.120 2.349) 7.136 24.667 ( -16.623 -19.974 -0.030) 25.987 25.230 ( -5.871 -6.965 -2.361) 9.410 ======================= Grid point 1870 (471/489) ======================= q-point: ( 0.59 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.363 ( 11.501 25.186 -3.672) 27.930 4.829 ( 21.776 22.339 8.797) 32.413 5.099 ( 23.229 14.910 6.388) 28.332 5.645 ( 19.297 19.881 -25.381) 37.575 7.653 ( 8.858 3.846 20.687) 22.830 8.324 ( -5.521 12.907 -2.694) 14.294 9.080 ( 15.014 21.142 2.799) 26.081 9.169 ( 37.982 28.402 20.960) 51.852 9.827 ( 44.111 38.771 -21.535) 62.552 10.755 ( 17.281 16.184 5.443) 24.294 11.010 ( 14.580 7.994 -12.764) 20.962 13.073 ( 3.411 6.854 -0.533) 7.675 13.646 ( 11.863 8.658 3.282) 15.049 15.309 ( -20.503 -17.501 -3.676) 27.206 16.840 ( 23.151 18.756 0.067) 29.795 21.475 ( -5.770 -7.106 4.849) 10.359 21.812 ( 0.474 2.750 0.608) 2.856 21.884 ( -1.514 0.233 -0.023) 1.531 22.716 ( 0.070 -0.475 1.224) 1.314 24.174 ( -17.011 -17.327 -1.398) 24.321 25.000 ( -9.795 -10.261 -1.125) 14.231 ======================= Grid point 1871 (472/489) ======================= q-point: ( 0.65 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.741 ( 5.077 25.197 -13.691) 29.122 5.445 ( 23.507 19.145 -7.009) 31.117 5.691 ( 23.718 12.022 18.701) 32.508 6.100 ( 15.587 18.644 -14.553) 28.326 7.814 ( 4.965 -1.651 18.021) 18.766 8.348 ( -5.829 12.626 -2.512) 14.131 9.539 ( 11.490 21.688 4.119) 24.887 10.005 ( 22.791 17.973 -8.496) 30.243 10.729 ( 16.056 12.000 15.787) 25.515 11.380 ( 18.957 8.361 -6.981) 21.864 11.422 ( 45.506 34.633 -7.764) 57.710 13.209 ( 3.027 8.780 -0.473) 9.299 14.178 ( 28.534 18.317 11.048) 35.662 14.825 ( -15.267 -11.312 -8.193) 20.692 17.393 ( 20.686 12.820 0.910) 24.353 21.294 ( -6.451 -7.870 2.215) 10.415 21.822 ( -2.231 1.576 0.790) 2.844 21.886 ( 0.265 2.716 -0.185) 2.735 22.664 ( -3.239 -3.661 -0.797) 4.953 23.720 ( -15.509 -14.784 -0.643) 21.436 24.675 ( -13.279 -13.080 -0.347) 18.642 ======================= Grid point 1885 (473/489) ======================= q-point: ( 0.47 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.337 ( 0.000 19.747 33.663) 39.027 3.911 ( 0.000 28.498 38.483) 47.886 4.421 ( -0.000 28.207 -31.100) 41.986 4.498 ( -0.000 31.051 -33.271) 45.510 6.706 ( 0.000 50.527 60.184) 78.581 7.831 ( -0.000 35.445 -48.123) 59.767 8.031 ( 0.000 -0.415 13.167) 13.174 8.468 ( 0.000 11.524 1.085) 11.575 8.510 ( -0.000 13.539 -8.123) 15.789 9.414 ( -0.000 53.070 -11.889) 54.386 11.015 ( 0.000 -7.329 1.580) 7.497 12.868 ( 0.000 4.002 0.675) 4.059 13.393 ( -0.000 11.366 -3.347) 11.849 15.862 ( 0.000 23.220 3.190) 23.438 16.420 ( -0.000 -38.809 -2.712) 38.904 21.665 ( 0.000 -3.500 4.488) 5.692 21.748 ( -0.000 1.510 -0.512) 1.595 21.931 ( -0.000 -1.527 -0.138) 1.533 22.532 ( 0.000 13.181 1.426) 13.258 24.998 ( 0.000 -25.362 2.716) 25.507 25.330 ( -0.000 -5.867 -3.315) 6.738 ======================= Grid point 1886 (474/489) ======================= q-point: ( 0.53 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.771 ( 16.372 20.946 24.137) 35.908 4.321 ( 7.909 25.285 21.831) 34.329 4.630 ( 1.341 29.704 -22.365) 37.207 4.955 ( 16.745 29.336 -20.100) 39.307 7.364 ( 5.418 35.379 23.530) 42.833 8.162 ( 13.482 16.934 17.827) 28.041 8.332 ( 14.634 31.701 -19.095) 39.797 8.557 ( -1.761 24.239 -3.890) 24.612 8.836 ( 15.796 20.448 -3.439) 26.066 10.031 ( 11.767 48.671 -10.241) 51.110 10.933 ( -2.045 -3.510 -1.284) 4.260 12.947 ( 3.263 5.214 0.499) 6.171 13.486 ( 1.184 5.272 -0.885) 5.475 15.917 ( -9.659 -32.516 -3.010) 34.054 16.232 ( 7.768 28.178 1.107) 29.250 21.614 ( -2.125 -5.478 4.667) 7.503 21.775 ( 1.173 2.062 -0.258) 2.386 21.914 ( -0.045 -1.439 -0.125) 1.446 22.662 ( 1.776 6.599 1.026) 6.910 24.661 ( -8.503 -24.968 0.874) 26.390 25.226 ( -3.170 -8.427 -1.872) 9.196 ======================= Grid point 1887 (475/489) ======================= q-point: ( 0.59 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.371 ( 18.561 24.625 8.063) 31.874 4.823 ( 15.309 25.768 10.739) 31.839 4.956 ( 8.716 23.588 -8.935) 26.687 5.506 ( 17.237 25.856 -12.302) 33.421 7.642 ( 2.282 8.458 5.628) 10.413 8.500 ( 3.087 6.009 -1.464) 6.912 8.963 ( 23.969 38.434 17.296) 48.486 9.068 ( 15.224 31.642 -2.815) 35.227 9.568 ( 31.358 45.701 -5.182) 55.667 10.680 ( 15.103 30.954 -5.211) 34.833 10.908 ( 1.984 3.075 -5.076) 6.257 13.082 ( 4.483 7.507 0.074) 8.744 13.591 ( 5.171 9.255 1.000) 10.649 15.403 ( -13.838 -23.894 -2.109) 27.692 16.722 ( 14.577 25.186 0.089) 29.101 21.496 ( -4.489 -8.013 3.206) 9.728 21.827 ( 1.649 3.057 0.088) 3.474 21.901 ( -0.307 -0.532 -0.039) 0.616 22.714 ( -0.031 0.184 0.567) 0.597 24.233 ( -12.366 -21.799 -0.260) 25.063 25.031 ( -6.944 -11.957 -0.825) 13.852 ======================= Grid point 1888 (476/489) ======================= q-point: ( 0.65 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.898 ( 9.412 29.395 -8.716) 32.072 5.320 ( 11.868 22.506 -6.822) 26.342 5.467 ( 23.376 18.704 15.573) 33.745 6.013 ( 14.870 22.428 -6.491) 27.682 7.761 ( 4.191 2.851 5.936) 7.806 8.570 ( -3.162 9.778 0.968) 10.322 9.606 ( 12.418 27.151 4.151) 30.143 9.794 ( 24.173 28.193 -4.388) 37.395 10.578 ( 25.150 31.305 2.157) 40.214 11.118 ( 15.125 21.012 -17.336) 31.158 11.182 ( 20.910 17.258 13.385) 30.236 13.252 ( 4.217 10.730 -0.093) 11.529 13.952 ( 19.309 20.091 2.609) 27.988 14.946 ( -14.154 -16.531 -1.728) 21.832 17.212 ( 15.863 17.060 0.226) 23.296 21.316 ( -5.888 -9.507 0.738) 11.207 21.879 ( -0.913 2.813 0.716) 3.043 21.903 ( 1.086 2.068 -0.473) 2.383 22.672 ( -2.383 -3.938 -0.084) 4.603 23.800 ( -12.982 -18.567 -0.375) 22.659 24.736 ( -10.452 -15.321 -0.116) 18.548 ======================= Grid point 1903 (477/489) ======================= q-point: ( 0.53 0.53 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.874 ( 0.000 19.995 21.464) 29.335 4.532 ( 0.000 24.927 5.291) 25.482 4.924 ( -0.000 32.342 -23.213) 39.810 5.082 ( 0.000 31.093 5.206) 31.525 7.706 ( -0.000 27.730 -9.855) 29.430 8.078 ( 0.000 -0.182 11.511) 11.512 8.759 ( 0.000 65.255 1.771) 65.279 8.820 ( -0.000 19.313 -5.639) 20.119 8.881 ( 0.000 29.902 11.966) 32.208 10.423 ( -0.000 47.533 -11.759) 48.966 10.925 ( -0.000 0.198 -2.863) 2.870 12.968 ( 0.000 5.301 1.009) 5.396 13.540 ( -0.000 7.496 -0.139) 7.497 15.654 ( -0.000 -31.903 -2.293) 31.985 16.478 ( 0.000 31.434 0.547) 31.439 21.584 ( 0.000 -6.672 3.775) 7.666 21.780 ( -0.000 1.798 -0.536) 1.876 21.894 ( -0.000 -1.927 -0.234) 1.941 22.708 ( -0.000 3.917 -0.081) 3.918 24.475 ( 0.000 -25.709 1.057) 25.730 25.156 ( -0.000 -10.564 -1.152) 10.626 ======================= Grid point 1904 (478/489) ======================= q-point: ( 0.59 0.53 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.289 ( 17.482 20.348 16.098) 31.286 4.862 ( 7.532 25.822 0.695) 26.907 5.182 ( -0.647 30.694 -14.624) 34.006 5.523 ( 10.997 27.987 6.747) 30.817 7.765 ( -5.908 9.148 -10.289) 14.982 8.312 ( 16.360 2.452 0.117) 16.543 9.096 ( 9.599 26.223 -0.842) 27.937 9.254 ( 3.883 39.047 -1.771) 39.280 9.670 ( 17.490 62.641 20.496) 68.190 10.826 ( 3.311 25.995 -15.327) 30.358 10.966 ( -0.805 14.530 0.466) 14.560 13.069 ( 4.457 6.374 0.731) 7.812 13.660 ( 1.515 15.863 -0.598) 15.946 15.299 ( -5.009 -27.033 -0.794) 27.505 16.840 ( 4.719 29.583 0.101) 29.957 21.486 ( -3.104 -8.574 1.740) 9.283 21.816 ( 2.076 1.920 -0.489) 2.869 21.884 ( 0.879 -1.294 -0.039) 1.564 22.721 ( -0.634 -0.466 -0.352) 0.862 24.166 ( -6.273 -23.467 0.832) 24.305 24.998 ( -4.015 -13.532 -0.442) 14.122 ======================= Grid point 1921 (479/489) ======================= q-point: (-0.41 -0.41 -0.65) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.348 ( 0.000 18.055 14.863) 23.386 5.087 ( 0.000 29.266 2.018) 29.336 5.466 ( -0.000 30.000 -19.640) 35.857 5.727 ( 0.000 25.690 18.046) 31.395 7.903 ( -0.000 5.954 -26.602) 27.260 8.145 ( 0.000 1.760 10.643) 10.788 9.213 ( -0.000 20.929 -3.815) 21.274 9.618 ( 0.000 37.539 0.562) 37.543 10.254 ( 0.000 62.498 18.130) 65.074 10.967 ( -0.000 20.335 -9.107) 22.281 11.199 ( -0.000 23.134 -2.141) 23.233 13.088 ( 0.000 5.984 0.984) 6.064 13.860 ( -0.000 27.113 -3.828) 27.382 15.068 ( 0.000 -25.370 1.691) 25.426 17.108 ( -0.000 29.106 -0.220) 29.107 21.427 ( -0.000 -9.319 -0.168) 9.321 21.806 ( -0.000 0.427 -0.785) 0.893 21.861 ( 0.000 -0.604 0.021) 0.605 22.713 ( -0.000 -2.508 -0.313) 2.527 23.987 ( 0.000 -22.689 1.222) 22.722 24.887 ( 0.000 -15.607 -0.024) 15.607 ======================= Grid point 2158 (480/489) ======================= q-point: ( 0.41 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( 0.000 0.000 47.970) 47.970 2.775 ( 0.000 0.000 47.970) 47.970 3.837 ( -0.000 -0.000 -39.365) 39.365 3.837 ( -0.000 -0.000 -39.365) 39.365 5.370 ( 0.000 0.000 101.303) 101.303 7.462 ( -0.000 -0.000 -90.071) 90.071 7.991 ( 0.000 0.000 11.036) 11.036 7.991 ( 0.000 0.000 11.036) 11.036 8.283 ( -0.000 -0.000 -8.163) 8.163 8.283 ( -0.000 -0.000 -8.163) 8.163 11.268 ( 0.000 0.000 0.796) 0.796 12.784 ( -0.000 -0.000 -0.175) 0.175 12.784 ( -0.000 -0.000 -0.175) 0.175 15.449 ( 0.000 0.000 12.239) 12.239 17.683 ( -0.000 -0.000 -3.586) 3.586 21.713 ( -0.000 -0.000 -0.273) 0.273 21.713 ( -0.000 -0.000 -0.273) 0.273 21.963 ( 0.000 0.000 0.099) 0.099 21.963 ( 0.000 0.000 0.099) 0.099 25.395 ( 0.000 0.000 0.897) 0.897 25.677 ( -0.000 -0.000 -0.855) 0.855 ======================= Grid point 2159 (481/489) ======================= q-point: ( 0.47 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( 14.142 8.165 39.268) 42.528 3.191 ( 22.922 13.234 46.572) 53.568 3.867 ( 11.529 6.656 -34.086) 36.594 4.040 ( 22.994 13.275 -42.146) 49.812 5.876 ( 22.779 13.151 88.541) 92.365 7.347 ( 10.380 5.993 -71.812) 72.805 8.125 ( 7.415 4.281 10.455) 13.514 8.221 ( 11.152 6.438 3.532) 13.353 8.238 ( -0.784 -0.453 -9.489) 9.532 8.517 ( 25.660 14.815 -9.480) 31.109 11.179 ( -6.839 -3.949 2.573) 8.306 12.811 ( 2.129 1.229 -0.489) 2.506 13.038 ( 17.790 10.271 -3.294) 20.804 15.542 ( 6.854 3.957 8.048) 11.288 17.236 ( -32.090 -18.527 -2.190) 37.119 21.710 ( -0.565 -0.326 0.597) 0.884 21.719 ( 0.608 0.351 0.072) 0.706 21.954 ( -0.765 -0.441 0.132) 0.893 22.192 ( 15.514 8.957 0.766) 17.930 25.370 ( -3.777 -2.181 3.207) 5.414 25.493 ( -13.118 -7.573 -3.284) 15.499 ======================= Grid point 2160 (482/489) ======================= q-point: ( 0.53 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.544 ( 18.324 10.580 15.981) 26.516 3.860 ( 23.917 13.808 36.107) 45.458 4.213 ( 22.262 12.853 -13.362) 28.972 4.616 ( 31.209 18.018 -40.428) 54.158 6.766 ( 34.746 20.061 58.589) 71.010 7.716 ( 32.900 18.995 -34.462) 51.291 8.184 ( -1.254 -0.724 -5.839) 6.016 8.403 ( 13.695 7.907 4.512) 16.445 8.500 ( 16.006 9.241 -8.723) 20.437 9.363 ( 43.262 24.977 -3.865) 50.104 11.010 ( -6.911 -3.990 2.162) 8.267 12.879 ( 3.645 2.105 -0.746) 4.275 13.389 ( 10.139 5.854 -2.672) 12.008 15.863 ( 18.966 10.950 2.940) 22.096 16.418 ( -33.044 -19.078 -2.252) 38.222 21.680 ( -2.550 -1.472 2.334) 3.757 21.741 ( 1.236 0.714 0.393) 1.481 21.929 ( -1.373 -0.793 0.160) 1.593 22.529 ( 11.146 6.435 1.832) 13.000 25.012 ( -21.958 -12.678 1.025) 25.376 25.322 ( -4.919 -2.840 -2.251) 6.110 ======================= Grid point 2161 (483/489) ======================= q-point: ( 0.59 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.980 ( 17.757 10.252 -6.642) 21.553 4.485 ( 24.496 14.143 15.459) 32.234 4.802 ( 26.889 15.524 9.395) 32.438 5.216 ( 26.339 15.207 -29.507) 42.375 7.559 ( 20.789 12.002 29.575) 38.090 8.150 ( -0.017 -0.010 -8.682) 8.682 8.681 ( 44.754 25.839 18.673) 54.948 8.783 ( 17.220 9.942 4.634) 20.417 9.070 ( 41.217 23.797 -34.477) 58.769 10.367 ( 38.361 22.148 4.211) 44.495 10.920 ( 0.755 0.436 -1.488) 1.724 12.975 ( 4.630 2.673 -0.918) 5.424 13.538 ( 6.106 3.525 0.486) 7.067 15.650 ( -27.347 -15.789 -1.208) 31.601 16.481 ( 26.997 15.587 -0.243) 31.174 21.590 ( -5.709 -3.296 2.189) 6.946 21.776 ( 1.534 0.886 0.582) 1.864 21.892 ( -1.665 -0.961 0.175) 1.930 22.701 ( 3.389 1.957 1.631) 4.240 24.483 ( -22.156 -12.792 -1.202) 25.611 25.155 ( -9.167 -5.293 -0.760) 10.613 ======================= Grid point 2176 (484/489) ======================= q-point: ( 0.47 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( 0.000 11.502 38.373) 40.059 3.390 ( 0.000 31.774 45.303) 55.335 3.846 ( -0.000 19.616 -41.459) 45.866 3.861 ( -0.000 18.010 -34.305) 38.745 6.089 ( 0.000 25.196 84.836) 88.499 7.171 ( -0.000 15.189 -75.629) 77.139 8.051 ( 0.000 1.667 12.734) 12.842 8.289 ( 0.000 6.640 0.610) 6.668 8.297 ( -0.000 4.982 -9.778) 10.974 8.455 ( -0.000 35.449 -5.203) 35.829 11.186 ( 0.000 -7.423 1.496) 7.572 12.805 ( 0.000 2.197 0.321) 2.220 13.033 ( -0.000 20.010 -2.453) 20.160 15.559 ( 0.000 7.662 5.811) 9.616 17.231 ( -0.000 -37.033 -1.651) 37.070 21.708 ( 0.000 -0.577 0.805) 0.990 21.722 ( -0.000 0.877 -0.394) 0.962 21.955 ( -0.000 -0.831 -0.033) 0.831 22.194 ( 0.000 18.203 0.475) 18.209 25.376 ( 0.000 -3.565 2.752) 4.504 25.486 ( -0.000 -16.147 -2.650) 16.363 ======================= Grid point 2177 (485/489) ======================= q-point: ( 0.53 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.446 ( 13.242 15.409 20.724) 29.022 3.874 ( 7.501 25.930 35.131) 44.304 4.038 ( 11.059 21.179 -21.500) 32.141 4.280 ( 22.249 29.371 -32.001) 48.803 6.713 ( 16.399 31.520 53.443) 64.176 7.403 ( 18.525 31.022 -45.554) 58.143 8.189 ( 9.751 0.550 10.212) 14.130 8.264 ( -3.349 8.130 -8.705) 12.373 8.484 ( 7.469 14.089 -1.470) 16.014 9.070 ( 23.325 40.956 -3.774) 47.283 11.062 ( -4.563 -7.574 1.150) 8.917 12.857 ( 2.277 3.535 -0.023) 4.205 13.305 ( 7.672 13.210 -1.699) 15.370 15.760 ( 9.252 16.181 2.195) 18.768 16.629 ( -20.470 -35.531 -1.170) 41.022 21.693 ( -0.950 -1.892 1.293) 2.481 21.739 ( 0.681 1.418 -0.068) 1.575 21.939 ( -0.635 -1.017 0.009) 1.199 22.455 ( 7.599 13.372 0.699) 15.396 25.148 ( -12.151 -21.360 1.629) 24.628 25.345 ( -2.308 -3.896 -1.896) 4.909 ======================= Grid point 2178 (486/489) ======================= q-point: ( 0.59 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.887 ( 12.313 21.804 -5.681) 25.677 4.352 ( 14.084 20.873 13.400) 28.524 4.536 ( 23.334 18.279 3.649) 29.865 4.931 ( 22.593 26.971 -15.867) 38.596 7.397 ( 18.585 19.033 15.080) 30.579 8.245 ( 20.201 28.720 5.605) 35.558 8.279 ( 13.809 25.966 -12.648) 32.014 8.529 ( 22.242 8.522 1.279) 23.853 8.843 ( 13.168 24.223 -6.096) 28.236 9.989 ( 34.176 34.644 1.643) 48.692 10.927 ( -2.827 -3.927 0.423) 4.857 12.950 ( 3.138 5.265 -0.480) 6.148 13.483 ( 4.168 3.853 -0.190) 5.679 15.905 ( -23.278 -24.085 0.202) 33.496 16.238 ( 20.169 20.037 -0.457) 28.434 21.628 ( -3.293 -4.488 0.494) 5.589 21.773 ( 1.068 2.162 0.277) 2.427 21.913 ( -1.276 -0.720 0.092) 1.468 22.663 ( 4.561 4.938 0.740) 6.763 24.666 ( -17.209 -20.149 -0.459) 26.502 25.221 ( -5.704 -6.861 -0.266) 8.927 ======================= Grid point 2194 (487/489) ======================= q-point: ( 0.53 0.53 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.533 ( 0.000 17.636 18.530) 25.582 4.062 ( -0.000 21.089 -10.349) 23.491 4.234 ( -0.000 29.437 -18.566) 34.803 4.382 ( 0.000 39.752 15.127) 42.533 7.007 ( 0.000 35.327 8.609) 36.361 7.563 ( -0.000 48.296 -11.435) 49.631 8.119 ( 0.000 -0.965 11.434) 11.475 8.452 ( -0.000 14.695 -8.098) 16.779 8.474 ( 0.000 13.582 0.979) 13.617 9.360 ( -0.000 51.440 -3.379) 51.551 11.019 ( -0.000 -8.070 -0.401) 8.080 12.873 ( 0.000 4.121 0.762) 4.191 13.380 ( -0.000 11.933 -0.289) 11.936 15.874 ( -0.000 21.874 0.035) 21.875 16.410 ( 0.000 -38.685 -0.094) 38.686 21.684 ( 0.000 -2.698 1.082) 2.907 21.744 ( -0.000 1.488 -0.484) 1.565 21.930 ( -0.000 -1.566 -0.161) 1.574 22.536 ( -0.000 13.146 -0.231) 13.148 25.012 ( 0.000 -25.922 0.999) 25.941 25.316 ( -0.000 -5.447 -0.657) 5.487 ======================= Grid point 2467 (488/489) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.076 ( 0.000 0.000 32.647) 32.647 3.076 ( 0.000 0.000 32.647) 32.647 3.576 ( -0.000 -0.000 -29.795) 29.795 3.576 ( -0.000 -0.000 -29.795) 29.795 6.058 ( 0.000 0.000 89.626) 89.626 6.825 ( -0.000 -0.000 -85.923) 85.923 8.055 ( 0.000 0.000 5.876) 5.876 8.055 ( 0.000 0.000 5.876) 5.876 8.232 ( -0.000 -0.000 -4.893) 4.893 8.232 ( -0.000 -0.000 -4.893) 4.893 11.271 ( 0.000 0.000 0.253) 0.253 12.783 ( -0.000 -0.000 -0.061) 0.061 12.783 ( -0.000 -0.000 -0.061) 0.061 15.508 ( 0.000 0.000 4.252) 4.252 17.665 ( -0.000 -0.000 -1.303) 1.303 21.712 ( -0.000 -0.000 -0.095) 0.095 21.712 ( -0.000 -0.000 -0.095) 0.095 21.963 ( 0.000 0.000 0.034) 0.034 21.963 ( 0.000 0.000 0.034) 0.034 25.399 ( 0.000 0.000 0.312) 0.312 25.672 ( -0.000 -0.000 -0.297) 0.297 ======================= Grid point 2468 (489/489) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.259 ( 9.769 5.640 1.578) 11.390 3.505 ( 25.391 14.659 38.498) 48.391 3.708 ( 15.562 8.985 -1.003) 17.997 3.743 ( 19.403 11.202 -38.180) 44.268 6.424 ( 16.118 9.306 43.438) 47.257 6.860 ( 18.851 10.884 -41.249) 46.640 8.134 ( 3.805 2.197 -9.617) 10.573 8.228 ( 2.391 1.380 8.568) 9.002 8.265 ( 6.912 3.991 6.670) 10.402 8.461 ( 28.433 16.416 -5.741) 33.330 11.190 ( -6.389 -3.689 0.508) 7.395 12.808 ( 2.025 1.169 -0.434) 2.378 13.025 ( 17.120 9.884 -0.308) 19.770 15.576 ( 6.308 3.642 1.240) 7.389 17.226 ( -32.031 -18.493 -0.367) 36.988 21.712 ( -0.231 -0.133 -0.139) 0.301 21.720 ( 0.693 0.400 0.249) 0.838 21.955 ( -0.747 -0.431 0.090) 0.867 22.195 ( 15.785 9.114 0.129) 18.228 25.384 ( -1.549 -0.894 0.544) 1.870 25.478 ( -15.481 -8.938 -0.627) 17.887 =================== 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 3/103173 10.0 20618.430 20618.430 394110.822 0.000 0.000 0.000 3/103173 20.0 30079.989 30079.989 129037.488 0.000 0.000 0.000 3/103173 30.0 7415.910 7415.910 18118.003 0.000 0.000 0.000 3/103173 40.0 2381.502 2381.502 4782.771 0.000 0.000 0.000 3/103173 50.0 1093.350 1093.350 1910.853 0.000 0.000 0.000 3/103173 60.0 615.450 615.450 980.255 0.000 0.000 0.000 3/103173 70.0 391.887 391.887 587.358 0.000 0.000 0.000 3/103173 80.0 271.727 271.727 390.339 0.000 0.000 0.000 3/103173 90.0 200.781 200.781 279.257 0.000 0.000 0.000 3/103173 100.0 155.835 155.835 211.090 0.000 0.000 0.000 3/103173 110.0 125.716 125.716 166.466 0.000 0.000 0.000 3/103173 120.0 104.576 104.576 135.721 0.000 0.000 0.000 3/103173 130.0 89.149 89.149 113.634 0.000 0.000 0.000 3/103173 140.0 77.516 77.516 97.207 0.000 0.000 0.000 3/103173 150.0 68.495 68.495 84.629 0.000 0.000 0.000 3/103173 160.0 61.330 61.330 74.756 0.000 0.000 0.000 3/103173 170.0 55.523 55.523 66.841 0.000 0.000 0.000 3/103173 180.0 50.732 50.732 60.379 0.000 0.000 0.000 3/103173 190.0 46.720 46.720 55.020 0.000 0.000 0.000 3/103173 200.0 43.314 43.314 50.514 0.000 0.000 0.000 3/103173 210.0 40.390 40.390 46.680 0.000 0.000 0.000 3/103173 220.0 37.854 37.854 43.381 0.000 0.000 0.000 3/103173 230.0 35.633 35.633 40.517 0.000 0.000 0.000 3/103173 240.0 33.674 33.674 38.009 0.000 0.000 0.000 3/103173 250.0 31.932 31.932 35.796 0.000 0.000 0.000 3/103173 260.0 30.373 30.373 33.830 0.000 0.000 0.000 3/103173 270.0 28.969 28.969 32.073 0.000 0.000 0.000 3/103173 280.0 27.698 27.698 30.492 0.000 0.000 0.000 3/103173 290.0 26.543 26.543 29.065 0.000 0.000 0.000 3/103173 300.0 25.486 25.486 27.768 0.000 0.000 0.000 3/103173 310.0 24.517 24.517 26.586 0.000 0.000 0.000 3/103173 320.0 23.624 23.624 25.503 0.000 0.000 0.000 3/103173 330.0 22.798 22.798 24.509 0.000 0.000 0.000 3/103173 340.0 22.033 22.033 23.591 0.000 0.000 0.000 3/103173 350.0 21.320 21.320 22.743 0.000 0.000 0.000 3/103173 360.0 20.656 20.656 21.955 0.000 0.000 0.000 3/103173 370.0 20.034 20.034 21.223 0.000 0.000 0.000 3/103173 380.0 19.451 19.451 20.539 0.000 0.000 0.000 3/103173 390.0 18.903 18.903 19.900 0.000 0.000 0.000 3/103173 400.0 18.387 18.387 19.302 0.000 0.000 0.000 3/103173 410.0 17.900 17.900 18.739 0.000 0.000 0.000 3/103173 420.0 17.440 17.440 18.210 0.000 0.000 0.000 3/103173 430.0 17.004 17.004 17.711 0.000 0.000 0.000 3/103173 440.0 16.590 16.590 17.240 0.000 0.000 0.000 3/103173 450.0 16.197 16.197 16.794 0.000 0.000 0.000 3/103173 460.0 15.823 15.823 16.372 0.000 0.000 0.000 3/103173 470.0 15.467 15.467 15.971 0.000 0.000 0.000 3/103173 480.0 15.127 15.127 15.590 0.000 0.000 0.000 3/103173 490.0 14.803 14.803 15.227 0.000 0.000 0.000 3/103173 500.0 14.493 14.493 14.882 0.000 0.000 0.000 3/103173 510.0 14.195 14.195 14.552 0.000 0.000 0.000 3/103173 520.0 13.911 13.911 14.238 0.000 0.000 0.000 3/103173 530.0 13.638 13.638 13.937 0.000 0.000 0.000 3/103173 540.0 13.375 13.375 13.649 0.000 0.000 0.000 3/103173 550.0 13.124 13.124 13.373 0.000 0.000 0.000 3/103173 560.0 12.881 12.881 13.108 0.000 0.000 0.000 3/103173 570.0 12.648 12.648 12.855 0.000 0.000 0.000 3/103173 580.0 12.423 12.423 12.611 0.000 0.000 0.000 3/103173 590.0 12.206 12.206 12.376 0.000 0.000 0.000 3/103173 600.0 11.997 11.997 12.150 0.000 0.000 0.000 3/103173 610.0 11.796 11.796 11.933 0.000 0.000 0.000 3/103173 620.0 11.601 11.601 11.723 0.000 0.000 0.000 3/103173 630.0 11.412 11.412 11.521 0.000 0.000 0.000 3/103173 640.0 11.230 11.230 11.326 0.000 0.000 0.000 3/103173 650.0 11.053 11.053 11.138 0.000 0.000 0.000 3/103173 660.0 10.882 10.882 10.956 0.000 0.000 0.000 3/103173 670.0 10.717 10.717 10.780 0.000 0.000 0.000 3/103173 680.0 10.556 10.556 10.610 0.000 0.000 0.000 3/103173 690.0 10.401 10.401 10.445 0.000 0.000 0.000 3/103173 700.0 10.250 10.250 10.285 0.000 0.000 0.000 3/103173 710.0 10.103 10.103 10.131 0.000 0.000 0.000 3/103173 720.0 9.960 9.960 9.981 0.000 0.000 0.000 3/103173 730.0 9.822 9.822 9.835 0.000 0.000 0.000 3/103173 740.0 9.687 9.687 9.694 0.000 0.000 0.000 3/103173 750.0 9.556 9.556 9.557 0.000 0.000 0.000 3/103173 760.0 9.429 9.429 9.424 0.000 0.000 0.000 3/103173 770.0 9.305 9.305 9.294 0.000 0.000 0.000 3/103173 780.0 9.184 9.184 9.168 0.000 0.000 0.000 3/103173 790.0 9.067 9.067 9.046 0.000 0.000 0.000 3/103173 800.0 8.952 8.952 8.927 0.000 0.000 0.000 3/103173 810.0 8.841 8.841 8.811 0.000 0.000 0.000 3/103173 820.0 8.732 8.732 8.698 0.000 0.000 0.000 3/103173 830.0 8.626 8.626 8.588 0.000 0.000 0.000 3/103173 840.0 8.522 8.522 8.481 0.000 0.000 0.000 3/103173 850.0 8.421 8.421 8.376 0.000 0.000 0.000 3/103173 860.0 8.322 8.322 8.274 0.000 0.000 0.000 3/103173 870.0 8.226 8.226 8.175 0.000 0.000 0.000 3/103173 880.0 8.131 8.131 8.078 0.000 0.000 0.000 3/103173 890.0 8.039 8.039 7.983 0.000 0.000 0.000 3/103173 900.0 7.949 7.949 7.891 0.000 0.000 0.000 3/103173 910.0 7.861 7.861 7.800 0.000 0.000 0.000 3/103173 920.0 7.775 7.775 7.712 0.000 0.000 0.000 3/103173 930.0 7.691 7.691 7.626 0.000 0.000 0.000 3/103173 940.0 7.609 7.609 7.542 0.000 0.000 0.000 3/103173 950.0 7.528 7.528 7.459 0.000 0.000 0.000 3/103173 960.0 7.449 7.449 7.379 0.000 0.000 0.000 3/103173 970.0 7.372 7.372 7.300 0.000 0.000 0.000 3/103173 980.0 7.297 7.297 7.223 0.000 0.000 0.000 3/103173 990.0 7.223 7.223 7.147 0.000 0.000 0.000 3/103173 1000.0 7.150 7.150 7.073 0.000 0.000 0.000 3/103173 Thermal conductivity related properties were written into "kappa-m171717.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:59:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|