----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:22:03]------------------------- 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 2.810077994251316 1.622399286424838 6.593302346666659 b -2.810077994251310 1.622399286424838 6.593302346666659 c 0.000000000000003 -3.244798572849680 6.593302346666659 Atomic positions (fractional): *1 P 0.74386533296187 0.74386533296187 0.74386533296187 30.974 2 P 0.25613466703813 0.25613466703813 0.25613466703813 30.974 *3 K 0.09158011997745 0.09158011997745 0.09158011997745 39.098 *4 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 5 K 0.90841988002255 0.90841988002255 0.90841988002255 39.098 *6 Cu 0.00000000000000 0.50000000000000 0.50000000000000 63.546 7 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 8 Cu 0.50000000000000 0.00000000000000 0.50000000000000 63.546 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.620155988502627 0.000000000000000 0.000000000000000 b -2.810077994251313 4.867197859274518 0.000000000000000 c 0.000000000000000 0.000000000000000 19.779907039999998 Atomic positions (fractional): *1 P 0.00000000000000 0.00000000000000 0.74386533296187 30.974 > 1 2 P 0.33333333333333 0.66666666666667 0.92280133370480 30.974 > 2 3 P 0.66666666666667 0.33333333333333 0.07719866629520 30.974 > 1 4 P 0.00000000000000 0.00000000000000 0.25613466703813 30.974 > 2 5 P 0.33333333333333 0.66666666666667 0.41053199962854 30.974 > 1 6 P 0.66666666666667 0.33333333333333 0.58946800037146 30.974 > 2 *7 K 0.33333333333333 0.66666666666667 0.75824678664411 39.098 > 3 *8 K 0.66666666666667 0.33333333333333 0.83333333333333 39.098 > 4 9 K 0.00000000000000 0.00000000000000 0.90841988002255 39.098 > 5 10 K 0.00000000000000 0.00000000000000 0.09158011997745 39.098 > 3 11 K 0.33333333333333 0.66666666666667 0.16666666666667 39.098 > 4 12 K 0.66666666666667 0.33333333333333 0.24175321335589 39.098 > 5 13 K 0.66666666666667 0.33333333333333 0.42491345331078 39.098 > 3 14 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 4 15 K 0.33333333333333 0.66666666666667 0.57508654668922 39.098 > 5 *16 Cu 0.00000000000000 0.50000000000000 0.00000000000000 63.546 > 6 17 Cu 0.50000000000000 0.00000000000000 0.00000000000000 63.546 > 7 18 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 > 8 19 Cu 0.66666666666667 0.83333333333333 0.33333333333333 63.546 > 6 20 Cu 0.16666666666667 0.33333333333333 0.33333333333333 63.546 > 7 21 Cu 0.16666666666667 0.83333333333333 0.33333333333333 63.546 > 8 22 Cu 0.33333333333333 0.16666666666667 0.66666666666667 63.546 > 6 23 Cu 0.83333333333333 0.66666666666667 0.66666666666667 63.546 > 7 24 Cu 0.83333333333333 0.16666666666667 0.66666666666667 63.546 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.240311977005254 0.000000000000000 0.000000000000000 b -5.620155988502626 9.734395718549036 0.000000000000000 c 0.000000000000000 0.000000000000000 19.779907039999998 Atomic positions (fractional): *1 P 0.00000000000000 0.00000000000000 0.74386533296187 30.974 > 1 2 P 0.50000000000000 0.00000000000000 0.74386533296187 30.974 > 1 3 P 0.00000000000000 0.50000000000000 0.74386533296187 30.974 > 1 4 P 0.50000000000000 0.50000000000000 0.74386533296187 30.974 > 1 5 P 0.16666666666667 0.33333333333333 0.92280133370480 30.974 > 2 6 P 0.66666666666667 0.33333333333333 0.92280133370480 30.974 > 2 7 P 0.16666666666667 0.83333333333333 0.92280133370480 30.974 > 2 8 P 0.66666666666667 0.83333333333333 0.92280133370480 30.974 > 2 9 P 0.33333333333333 0.16666666666667 0.07719866629520 30.974 > 1 10 P 0.83333333333333 0.16666666666667 0.07719866629520 30.974 > 1 11 P 0.33333333333333 0.66666666666667 0.07719866629520 30.974 > 1 12 P 0.83333333333333 0.66666666666667 0.07719866629520 30.974 > 1 13 P 0.00000000000000 0.00000000000000 0.25613466703813 30.974 > 2 14 P 0.50000000000000 0.00000000000000 0.25613466703813 30.974 > 2 15 P 0.00000000000000 0.50000000000000 0.25613466703813 30.974 > 2 16 P 0.50000000000000 0.50000000000000 0.25613466703813 30.974 > 2 17 P 0.16666666666667 0.33333333333333 0.41053199962854 30.974 > 1 18 P 0.66666666666667 0.33333333333333 0.41053199962854 30.974 > 1 19 P 0.16666666666667 0.83333333333333 0.41053199962854 30.974 > 1 20 P 0.66666666666667 0.83333333333333 0.41053199962854 30.974 > 1 21 P 0.33333333333333 0.16666666666667 0.58946800037146 30.974 > 2 22 P 0.83333333333333 0.16666666666667 0.58946800037146 30.974 > 2 23 P 0.33333333333333 0.66666666666667 0.58946800037146 30.974 > 2 24 P 0.83333333333333 0.66666666666667 0.58946800037146 30.974 > 2 *25 K 0.16666666666667 0.33333333333333 0.75824678664411 39.098 > 3 26 K 0.66666666666667 0.33333333333333 0.75824678664411 39.098 > 3 27 K 0.16666666666667 0.83333333333333 0.75824678664411 39.098 > 3 28 K 0.66666666666667 0.83333333333333 0.75824678664411 39.098 > 3 *29 K 0.33333333333333 0.16666666666667 0.83333333333333 39.098 > 4 30 K 0.83333333333333 0.16666666666667 0.83333333333333 39.098 > 4 31 K 0.33333333333333 0.66666666666667 0.83333333333333 39.098 > 4 32 K 0.83333333333333 0.66666666666667 0.83333333333333 39.098 > 4 33 K 0.00000000000000 0.00000000000000 0.90841988002255 39.098 > 5 34 K 0.50000000000000 0.00000000000000 0.90841988002255 39.098 > 5 35 K 0.00000000000000 0.50000000000000 0.90841988002255 39.098 > 5 36 K 0.50000000000000 0.50000000000000 0.90841988002255 39.098 > 5 37 K 0.00000000000000 0.00000000000000 0.09158011997745 39.098 > 3 38 K 0.50000000000000 0.00000000000000 0.09158011997745 39.098 > 3 39 K 0.00000000000000 0.50000000000000 0.09158011997745 39.098 > 3 40 K 0.50000000000000 0.50000000000000 0.09158011997745 39.098 > 3 41 K 0.16666666666667 0.33333333333333 0.16666666666667 39.098 > 4 42 K 0.66666666666667 0.33333333333333 0.16666666666667 39.098 > 4 43 K 0.16666666666667 0.83333333333333 0.16666666666667 39.098 > 4 44 K 0.66666666666667 0.83333333333333 0.16666666666667 39.098 > 4 45 K 0.33333333333333 0.16666666666667 0.24175321335589 39.098 > 5 46 K 0.83333333333333 0.16666666666667 0.24175321335589 39.098 > 5 47 K 0.33333333333333 0.66666666666667 0.24175321335589 39.098 > 5 48 K 0.83333333333333 0.66666666666667 0.24175321335589 39.098 > 5 49 K 0.33333333333333 0.16666666666667 0.42491345331078 39.098 > 3 50 K 0.83333333333333 0.16666666666667 0.42491345331078 39.098 > 3 51 K 0.33333333333333 0.66666666666667 0.42491345331078 39.098 > 3 52 K 0.83333333333333 0.66666666666667 0.42491345331078 39.098 > 3 53 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 4 54 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 4 55 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 4 56 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 4 57 K 0.16666666666667 0.33333333333333 0.57508654668922 39.098 > 5 58 K 0.66666666666667 0.33333333333333 0.57508654668922 39.098 > 5 59 K 0.16666666666667 0.83333333333333 0.57508654668922 39.098 > 5 60 K 0.66666666666667 0.83333333333333 0.57508654668922 39.098 > 5 *61 Cu 0.00000000000000 0.25000000000000 0.00000000000000 63.546 > 6 62 Cu 0.50000000000000 0.25000000000000 0.00000000000000 63.546 > 6 63 Cu 0.00000000000000 0.75000000000000 0.00000000000000 63.546 > 6 64 Cu 0.50000000000000 0.75000000000000 0.00000000000000 63.546 > 6 65 Cu 0.25000000000000 0.00000000000000 0.00000000000000 63.546 > 7 66 Cu 0.75000000000000 0.00000000000000 0.00000000000000 63.546 > 7 67 Cu 0.25000000000000 0.50000000000000 0.00000000000000 63.546 > 7 68 Cu 0.75000000000000 0.50000000000000 0.00000000000000 63.546 > 7 69 Cu 0.25000000000000 0.25000000000000 0.00000000000000 63.546 > 8 70 Cu 0.75000000000000 0.25000000000000 0.00000000000000 63.546 > 8 71 Cu 0.25000000000000 0.75000000000000 0.00000000000000 63.546 > 8 72 Cu 0.75000000000000 0.75000000000000 0.00000000000000 63.546 > 8 73 Cu 0.33333333333333 0.41666666666667 0.33333333333333 63.546 > 6 74 Cu 0.83333333333333 0.41666666666667 0.33333333333333 63.546 > 6 75 Cu 0.33333333333333 0.91666666666667 0.33333333333333 63.546 > 6 76 Cu 0.83333333333333 0.91666666666667 0.33333333333333 63.546 > 6 77 Cu 0.08333333333333 0.16666666666667 0.33333333333333 63.546 > 7 78 Cu 0.58333333333333 0.16666666666667 0.33333333333333 63.546 > 7 79 Cu 0.08333333333333 0.66666666666667 0.33333333333333 63.546 > 7 80 Cu 0.58333333333333 0.66666666666667 0.33333333333333 63.546 > 7 81 Cu 0.08333333333333 0.41666666666667 0.33333333333333 63.546 > 8 82 Cu 0.58333333333333 0.41666666666667 0.33333333333333 63.546 > 8 83 Cu 0.08333333333333 0.91666666666667 0.33333333333333 63.546 > 8 84 Cu 0.58333333333333 0.91666666666667 0.33333333333333 63.546 > 8 85 Cu 0.16666666666667 0.08333333333333 0.66666666666667 63.546 > 6 86 Cu 0.66666666666667 0.08333333333333 0.66666666666667 63.546 > 6 87 Cu 0.16666666666667 0.58333333333333 0.66666666666667 63.546 > 6 88 Cu 0.66666666666667 0.58333333333333 0.66666666666667 63.546 > 6 89 Cu 0.41666666666667 0.33333333333333 0.66666666666667 63.546 > 7 90 Cu 0.91666666666667 0.33333333333333 0.66666666666667 63.546 > 7 91 Cu 0.41666666666667 0.83333333333333 0.66666666666667 63.546 > 7 92 Cu 0.91666666666667 0.83333333333333 0.66666666666667 63.546 > 7 93 Cu 0.41666666666667 0.08333333333333 0.66666666666667 63.546 > 8 94 Cu 0.91666666666667 0.08333333333333 0.66666666666667 63.546 > 8 95 Cu 0.41666666666667 0.58333333333333 0.66666666666667 63.546 > 8 96 Cu 0.91666666666667 0.58333333333333 0.66666666666667 63.546 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.7026539 -0.0000000 0.0000000 0.0000000 9.7026539 0.0000000 0.0000000 0.0000000 5.6949603 -------------------------- Born effective charges -------------------------- 1 P -1.8258551 0.0000000 0.0000000 0.0000000 -1.8258551 0.0000000 0.0000000 0.0000000 -1.8901922 2 P -1.8258551 0.0000000 0.0000000 0.0000000 -1.8258551 0.0000000 0.0000000 0.0000000 -1.8901922 3 K 1.0745567 -0.0000000 0.0000000 0.0000000 1.0745567 0.0000000 0.0000000 0.0000000 1.1086223 4 K 1.2213475 -0.0000000 0.0000000 0.0000000 1.2213475 0.0000000 0.0000000 0.0000000 1.6605474 5 K 1.0745567 -0.0000000 0.0000000 0.0000000 1.0745567 0.0000000 0.0000000 0.0000000 1.1086223 6 Cu 0.4327089 0.5870943 -1.0696018 0.5870943 -0.2452092 -0.6175349 -0.3734222 -0.2155954 -0.0324692 7 Cu -0.5841683 -0.0000000 0.0000000 0.0000000 0.7716679 1.2350698 0.0000000 0.4311908 -0.0324692 8 Cu 0.4327089 -0.5870943 1.0696018 -0.5870943 -0.2452092 -0.6175349 0.3734222 -0.2155954 -0.0324692 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 4344/4344 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 362 Number of blocks in projector: 335 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 162 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 118 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 82 Use standard eigh solver. Tree of FC basis block matrices: - (362, 351), data: False |-- (82, 78), data: True |-- (118, 116), data: True |-- (162, 157), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.013 Solver_block: 80 / 80 - Time: 0.230 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.276 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 4344/4344 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 362 Number of blocks in projector: 335 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 162 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 118 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 82 Use standard eigh solver. Tree of FC basis block matrices: - (362, 351), data: False |-- (82, 78), data: True |-- (118, 116), data: True |-- (162, 157), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:22:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:22:09]------------------------- 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 2.810077994251316 1.622399286424838 6.593302346666659 b -2.810077994251310 1.622399286424838 6.593302346666659 c 0.000000000000003 -3.244798572849680 6.593302346666659 Atomic positions (fractional): 1 P 0.74386533296187 0.74386533296187 0.74386533296187 30.974 2 P 0.25613466703813 0.25613466703813 0.25613466703813 30.974 3 K 0.09158011997745 0.09158011997745 0.09158011997745 39.098 4 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 5 K 0.90841988002255 0.90841988002255 0.90841988002255 39.098 6 Cu 0.00000000000000 0.50000000000000 0.50000000000000 63.546 7 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 8 Cu 0.50000000000000 0.00000000000000 0.50000000000000 63.546 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.240311977005254 0.000000000000000 0.000000000000000 b -5.620155988502626 9.734395718549036 0.000000000000000 c 0.000000000000000 0.000000000000000 19.779907039999998 Atomic positions (fractional): 1 P 0.00000000000000 0.00000000000000 0.74386533296187 30.974 > 1 2 P 0.50000000000000 0.00000000000000 0.74386533296187 30.974 > 1 3 P 0.00000000000000 0.50000000000000 0.74386533296187 30.974 > 1 4 P 0.50000000000000 0.50000000000000 0.74386533296187 30.974 > 1 5 P 0.16666666666667 0.33333333333333 0.92280133370480 30.974 > 5 6 P 0.66666666666667 0.33333333333333 0.92280133370480 30.974 > 5 7 P 0.16666666666667 0.83333333333333 0.92280133370480 30.974 > 5 8 P 0.66666666666667 0.83333333333333 0.92280133370480 30.974 > 5 9 P 0.33333333333333 0.16666666666667 0.07719866629520 30.974 > 1 10 P 0.83333333333333 0.16666666666667 0.07719866629520 30.974 > 1 11 P 0.33333333333333 0.66666666666667 0.07719866629520 30.974 > 1 12 P 0.83333333333333 0.66666666666667 0.07719866629520 30.974 > 1 13 P 0.00000000000000 0.00000000000000 0.25613466703813 30.974 > 5 14 P 0.50000000000000 0.00000000000000 0.25613466703813 30.974 > 5 15 P 0.00000000000000 0.50000000000000 0.25613466703813 30.974 > 5 16 P 0.50000000000000 0.50000000000000 0.25613466703813 30.974 > 5 17 P 0.16666666666667 0.33333333333333 0.41053199962854 30.974 > 1 18 P 0.66666666666667 0.33333333333333 0.41053199962854 30.974 > 1 19 P 0.16666666666667 0.83333333333333 0.41053199962854 30.974 > 1 20 P 0.66666666666667 0.83333333333333 0.41053199962854 30.974 > 1 21 P 0.33333333333333 0.16666666666667 0.58946800037146 30.974 > 5 22 P 0.83333333333333 0.16666666666667 0.58946800037146 30.974 > 5 23 P 0.33333333333333 0.66666666666667 0.58946800037146 30.974 > 5 24 P 0.83333333333333 0.66666666666667 0.58946800037146 30.974 > 5 25 K 0.16666666666667 0.33333333333333 0.75824678664411 39.098 > 25 26 K 0.66666666666667 0.33333333333333 0.75824678664411 39.098 > 25 27 K 0.16666666666667 0.83333333333333 0.75824678664411 39.098 > 25 28 K 0.66666666666667 0.83333333333333 0.75824678664411 39.098 > 25 29 K 0.33333333333333 0.16666666666667 0.83333333333333 39.098 > 29 30 K 0.83333333333333 0.16666666666667 0.83333333333333 39.098 > 29 31 K 0.33333333333333 0.66666666666667 0.83333333333333 39.098 > 29 32 K 0.83333333333333 0.66666666666667 0.83333333333333 39.098 > 29 33 K 0.00000000000000 0.00000000000000 0.90841988002255 39.098 > 33 34 K 0.50000000000000 0.00000000000000 0.90841988002255 39.098 > 33 35 K 0.00000000000000 0.50000000000000 0.90841988002255 39.098 > 33 36 K 0.50000000000000 0.50000000000000 0.90841988002255 39.098 > 33 37 K 0.00000000000000 0.00000000000000 0.09158011997745 39.098 > 25 38 K 0.50000000000000 0.00000000000000 0.09158011997745 39.098 > 25 39 K 0.00000000000000 0.50000000000000 0.09158011997745 39.098 > 25 40 K 0.50000000000000 0.50000000000000 0.09158011997745 39.098 > 25 41 K 0.16666666666667 0.33333333333333 0.16666666666667 39.098 > 29 42 K 0.66666666666667 0.33333333333333 0.16666666666667 39.098 > 29 43 K 0.16666666666667 0.83333333333333 0.16666666666667 39.098 > 29 44 K 0.66666666666667 0.83333333333333 0.16666666666667 39.098 > 29 45 K 0.33333333333333 0.16666666666667 0.24175321335589 39.098 > 33 46 K 0.83333333333333 0.16666666666667 0.24175321335589 39.098 > 33 47 K 0.33333333333333 0.66666666666667 0.24175321335589 39.098 > 33 48 K 0.83333333333333 0.66666666666667 0.24175321335589 39.098 > 33 49 K 0.33333333333333 0.16666666666667 0.42491345331078 39.098 > 25 50 K 0.83333333333333 0.16666666666667 0.42491345331078 39.098 > 25 51 K 0.33333333333333 0.66666666666667 0.42491345331078 39.098 > 25 52 K 0.83333333333333 0.66666666666667 0.42491345331078 39.098 > 25 53 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 29 54 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 29 55 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 29 56 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 29 57 K 0.16666666666667 0.33333333333333 0.57508654668922 39.098 > 33 58 K 0.66666666666667 0.33333333333333 0.57508654668922 39.098 > 33 59 K 0.16666666666667 0.83333333333333 0.57508654668922 39.098 > 33 60 K 0.66666666666667 0.83333333333333 0.57508654668922 39.098 > 33 61 Cu 0.00000000000000 0.25000000000000 0.00000000000000 63.546 > 61 62 Cu 0.50000000000000 0.25000000000000 0.00000000000000 63.546 > 61 63 Cu 0.00000000000000 0.75000000000000 0.00000000000000 63.546 > 61 64 Cu 0.50000000000000 0.75000000000000 0.00000000000000 63.546 > 61 65 Cu 0.25000000000000 0.00000000000000 0.00000000000000 63.546 > 65 66 Cu 0.75000000000000 0.00000000000000 0.00000000000000 63.546 > 65 67 Cu 0.25000000000000 0.50000000000000 0.00000000000000 63.546 > 65 68 Cu 0.75000000000000 0.50000000000000 0.00000000000000 63.546 > 65 69 Cu 0.25000000000000 0.25000000000000 0.00000000000000 63.546 > 69 70 Cu 0.75000000000000 0.25000000000000 0.00000000000000 63.546 > 69 71 Cu 0.25000000000000 0.75000000000000 0.00000000000000 63.546 > 69 72 Cu 0.75000000000000 0.75000000000000 0.00000000000000 63.546 > 69 73 Cu 0.33333333333333 0.41666666666667 0.33333333333333 63.546 > 61 74 Cu 0.83333333333333 0.41666666666667 0.33333333333333 63.546 > 61 75 Cu 0.33333333333333 0.91666666666667 0.33333333333333 63.546 > 61 76 Cu 0.83333333333333 0.91666666666667 0.33333333333333 63.546 > 61 77 Cu 0.08333333333333 0.16666666666667 0.33333333333333 63.546 > 65 78 Cu 0.58333333333333 0.16666666666667 0.33333333333333 63.546 > 65 79 Cu 0.08333333333333 0.66666666666667 0.33333333333333 63.546 > 65 80 Cu 0.58333333333333 0.66666666666667 0.33333333333333 63.546 > 65 81 Cu 0.08333333333333 0.41666666666667 0.33333333333333 63.546 > 69 82 Cu 0.58333333333333 0.41666666666667 0.33333333333333 63.546 > 69 83 Cu 0.08333333333333 0.91666666666667 0.33333333333333 63.546 > 69 84 Cu 0.58333333333333 0.91666666666667 0.33333333333333 63.546 > 69 85 Cu 0.16666666666667 0.08333333333333 0.66666666666667 63.546 > 61 86 Cu 0.66666666666667 0.08333333333333 0.66666666666667 63.546 > 61 87 Cu 0.16666666666667 0.58333333333333 0.66666666666667 63.546 > 61 88 Cu 0.66666666666667 0.58333333333333 0.66666666666667 63.546 > 61 89 Cu 0.41666666666667 0.33333333333333 0.66666666666667 63.546 > 65 90 Cu 0.91666666666667 0.33333333333333 0.66666666666667 63.546 > 65 91 Cu 0.41666666666667 0.83333333333333 0.66666666666667 63.546 > 65 92 Cu 0.91666666666667 0.83333333333333 0.66666666666667 63.546 > 65 93 Cu 0.41666666666667 0.08333333333333 0.66666666666667 63.546 > 69 94 Cu 0.91666666666667 0.08333333333333 0.66666666666667 63.546 > 69 95 Cu 0.41666666666667 0.58333333333333 0.66666666666667 63.546 > 69 96 Cu 0.91666666666667 0.58333333333333 0.66666666666667 63.546 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.7026539 -0.0000000 0.0000000 0.0000000 9.7026539 0.0000000 0.0000000 0.0000000 5.6949603 -------------------------- Born effective charges -------------------------- 1 P -1.8258551 0.0000000 0.0000000 0.0000000 -1.8258551 0.0000000 0.0000000 0.0000000 -1.8901922 2 P -1.8258551 0.0000000 0.0000000 0.0000000 -1.8258551 0.0000000 0.0000000 0.0000000 -1.8901922 3 K 1.0745567 -0.0000000 0.0000000 0.0000000 1.0745567 0.0000000 0.0000000 0.0000000 1.1086223 4 K 1.2213475 -0.0000000 0.0000000 0.0000000 1.2213475 0.0000000 0.0000000 0.0000000 1.6605474 5 K 1.0745567 -0.0000000 0.0000000 0.0000000 1.0745567 0.0000000 0.0000000 0.0000000 1.1086223 6 Cu 0.4327089 0.5870943 -1.0696018 0.5870943 -0.2452092 -0.6175349 -0.3734222 -0.2155954 -0.0324692 7 Cu -0.5841683 -0.0000000 0.0000000 0.0000000 0.7716679 1.2350698 0.0000000 0.4311908 -0.0324692 8 Cu 0.4327089 -0.5870943 1.0696018 -0.5870943 -0.2452092 -0.6175349 0.3734222 -0.2155954 -0.0324692 ---------------------------------------------------------------------------- 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[ 25, 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[ 29, 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[ 61, 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: -0.00000002 (yzy) -0.00000002 (yzy) -0.00000002 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:22:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:22:16]------------------------- 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 2.810077994251316 1.622399286424838 6.593302346666659 b -2.810077994251310 1.622399286424838 6.593302346666659 c 0.000000000000003 -3.244798572849680 6.593302346666659 Atomic positions (fractional): 1 P 0.74386533296187 0.74386533296187 0.74386533296187 30.974 2 P 0.25613466703813 0.25613466703813 0.25613466703813 30.974 3 K 0.09158011997745 0.09158011997745 0.09158011997745 39.098 4 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 5 K 0.90841988002255 0.90841988002255 0.90841988002255 39.098 6 Cu 0.00000000000000 0.50000000000000 0.50000000000000 63.546 7 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 8 Cu 0.50000000000000 0.00000000000000 0.50000000000000 63.546 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.240311977005254 0.000000000000000 0.000000000000000 b -5.620155988502626 9.734395718549036 0.000000000000000 c 0.000000000000000 0.000000000000000 19.779907039999998 Atomic positions (fractional): 1 P 0.00000000000000 0.00000000000000 0.74386533296187 30.974 > 1 2 P 0.50000000000000 0.00000000000000 0.74386533296187 30.974 > 1 3 P 0.00000000000000 0.50000000000000 0.74386533296187 30.974 > 1 4 P 0.50000000000000 0.50000000000000 0.74386533296187 30.974 > 1 5 P 0.16666666666667 0.33333333333333 0.92280133370480 30.974 > 5 6 P 0.66666666666667 0.33333333333333 0.92280133370480 30.974 > 5 7 P 0.16666666666667 0.83333333333333 0.92280133370480 30.974 > 5 8 P 0.66666666666667 0.83333333333333 0.92280133370480 30.974 > 5 9 P 0.33333333333333 0.16666666666667 0.07719866629520 30.974 > 1 10 P 0.83333333333333 0.16666666666667 0.07719866629520 30.974 > 1 11 P 0.33333333333333 0.66666666666667 0.07719866629520 30.974 > 1 12 P 0.83333333333333 0.66666666666667 0.07719866629520 30.974 > 1 13 P 0.00000000000000 0.00000000000000 0.25613466703813 30.974 > 5 14 P 0.50000000000000 0.00000000000000 0.25613466703813 30.974 > 5 15 P 0.00000000000000 0.50000000000000 0.25613466703813 30.974 > 5 16 P 0.50000000000000 0.50000000000000 0.25613466703813 30.974 > 5 17 P 0.16666666666667 0.33333333333333 0.41053199962854 30.974 > 1 18 P 0.66666666666667 0.33333333333333 0.41053199962854 30.974 > 1 19 P 0.16666666666667 0.83333333333333 0.41053199962854 30.974 > 1 20 P 0.66666666666667 0.83333333333333 0.41053199962854 30.974 > 1 21 P 0.33333333333333 0.16666666666667 0.58946800037146 30.974 > 5 22 P 0.83333333333333 0.16666666666667 0.58946800037146 30.974 > 5 23 P 0.33333333333333 0.66666666666667 0.58946800037146 30.974 > 5 24 P 0.83333333333333 0.66666666666667 0.58946800037146 30.974 > 5 25 K 0.16666666666667 0.33333333333333 0.75824678664411 39.098 > 25 26 K 0.66666666666667 0.33333333333333 0.75824678664411 39.098 > 25 27 K 0.16666666666667 0.83333333333333 0.75824678664411 39.098 > 25 28 K 0.66666666666667 0.83333333333333 0.75824678664411 39.098 > 25 29 K 0.33333333333333 0.16666666666667 0.83333333333333 39.098 > 29 30 K 0.83333333333333 0.16666666666667 0.83333333333333 39.098 > 29 31 K 0.33333333333333 0.66666666666667 0.83333333333333 39.098 > 29 32 K 0.83333333333333 0.66666666666667 0.83333333333333 39.098 > 29 33 K 0.00000000000000 0.00000000000000 0.90841988002255 39.098 > 33 34 K 0.50000000000000 0.00000000000000 0.90841988002255 39.098 > 33 35 K 0.00000000000000 0.50000000000000 0.90841988002255 39.098 > 33 36 K 0.50000000000000 0.50000000000000 0.90841988002255 39.098 > 33 37 K 0.00000000000000 0.00000000000000 0.09158011997745 39.098 > 25 38 K 0.50000000000000 0.00000000000000 0.09158011997745 39.098 > 25 39 K 0.00000000000000 0.50000000000000 0.09158011997745 39.098 > 25 40 K 0.50000000000000 0.50000000000000 0.09158011997745 39.098 > 25 41 K 0.16666666666667 0.33333333333333 0.16666666666667 39.098 > 29 42 K 0.66666666666667 0.33333333333333 0.16666666666667 39.098 > 29 43 K 0.16666666666667 0.83333333333333 0.16666666666667 39.098 > 29 44 K 0.66666666666667 0.83333333333333 0.16666666666667 39.098 > 29 45 K 0.33333333333333 0.16666666666667 0.24175321335589 39.098 > 33 46 K 0.83333333333333 0.16666666666667 0.24175321335589 39.098 > 33 47 K 0.33333333333333 0.66666666666667 0.24175321335589 39.098 > 33 48 K 0.83333333333333 0.66666666666667 0.24175321335589 39.098 > 33 49 K 0.33333333333333 0.16666666666667 0.42491345331078 39.098 > 25 50 K 0.83333333333333 0.16666666666667 0.42491345331078 39.098 > 25 51 K 0.33333333333333 0.66666666666667 0.42491345331078 39.098 > 25 52 K 0.83333333333333 0.66666666666667 0.42491345331078 39.098 > 25 53 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 29 54 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 29 55 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 29 56 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 29 57 K 0.16666666666667 0.33333333333333 0.57508654668922 39.098 > 33 58 K 0.66666666666667 0.33333333333333 0.57508654668922 39.098 > 33 59 K 0.16666666666667 0.83333333333333 0.57508654668922 39.098 > 33 60 K 0.66666666666667 0.83333333333333 0.57508654668922 39.098 > 33 61 Cu 0.00000000000000 0.25000000000000 0.00000000000000 63.546 > 61 62 Cu 0.50000000000000 0.25000000000000 0.00000000000000 63.546 > 61 63 Cu 0.00000000000000 0.75000000000000 0.00000000000000 63.546 > 61 64 Cu 0.50000000000000 0.75000000000000 0.00000000000000 63.546 > 61 65 Cu 0.25000000000000 0.00000000000000 0.00000000000000 63.546 > 65 66 Cu 0.75000000000000 0.00000000000000 0.00000000000000 63.546 > 65 67 Cu 0.25000000000000 0.50000000000000 0.00000000000000 63.546 > 65 68 Cu 0.75000000000000 0.50000000000000 0.00000000000000 63.546 > 65 69 Cu 0.25000000000000 0.25000000000000 0.00000000000000 63.546 > 69 70 Cu 0.75000000000000 0.25000000000000 0.00000000000000 63.546 > 69 71 Cu 0.25000000000000 0.75000000000000 0.00000000000000 63.546 > 69 72 Cu 0.75000000000000 0.75000000000000 0.00000000000000 63.546 > 69 73 Cu 0.33333333333333 0.41666666666667 0.33333333333333 63.546 > 61 74 Cu 0.83333333333333 0.41666666666667 0.33333333333333 63.546 > 61 75 Cu 0.33333333333333 0.91666666666667 0.33333333333333 63.546 > 61 76 Cu 0.83333333333333 0.91666666666667 0.33333333333333 63.546 > 61 77 Cu 0.08333333333333 0.16666666666667 0.33333333333333 63.546 > 65 78 Cu 0.58333333333333 0.16666666666667 0.33333333333333 63.546 > 65 79 Cu 0.08333333333333 0.66666666666667 0.33333333333333 63.546 > 65 80 Cu 0.58333333333333 0.66666666666667 0.33333333333333 63.546 > 65 81 Cu 0.08333333333333 0.41666666666667 0.33333333333333 63.546 > 69 82 Cu 0.58333333333333 0.41666666666667 0.33333333333333 63.546 > 69 83 Cu 0.08333333333333 0.91666666666667 0.33333333333333 63.546 > 69 84 Cu 0.58333333333333 0.91666666666667 0.33333333333333 63.546 > 69 85 Cu 0.16666666666667 0.08333333333333 0.66666666666667 63.546 > 61 86 Cu 0.66666666666667 0.08333333333333 0.66666666666667 63.546 > 61 87 Cu 0.16666666666667 0.58333333333333 0.66666666666667 63.546 > 61 88 Cu 0.66666666666667 0.58333333333333 0.66666666666667 63.546 > 61 89 Cu 0.41666666666667 0.33333333333333 0.66666666666667 63.546 > 65 90 Cu 0.91666666666667 0.33333333333333 0.66666666666667 63.546 > 65 91 Cu 0.41666666666667 0.83333333333333 0.66666666666667 63.546 > 65 92 Cu 0.91666666666667 0.83333333333333 0.66666666666667 63.546 > 65 93 Cu 0.41666666666667 0.08333333333333 0.66666666666667 63.546 > 69 94 Cu 0.91666666666667 0.08333333333333 0.66666666666667 63.546 > 69 95 Cu 0.41666666666667 0.58333333333333 0.66666666666667 63.546 > 69 96 Cu 0.91666666666667 0.58333333333333 0.66666666666667 63.546 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.7026539 -0.0000000 0.0000000 0.0000000 9.7026539 0.0000000 0.0000000 0.0000000 5.6949603 -------------------------- Born effective charges -------------------------- 1 P -1.8258551 0.0000000 0.0000000 0.0000000 -1.8258551 0.0000000 0.0000000 0.0000000 -1.8901922 2 P -1.8258551 0.0000000 0.0000000 0.0000000 -1.8258551 0.0000000 0.0000000 0.0000000 -1.8901922 3 K 1.0745567 -0.0000000 0.0000000 0.0000000 1.0745567 0.0000000 0.0000000 0.0000000 1.1086223 4 K 1.2213475 -0.0000000 0.0000000 0.0000000 1.2213475 0.0000000 0.0000000 0.0000000 1.6605474 5 K 1.0745567 -0.0000000 0.0000000 0.0000000 1.0745567 0.0000000 0.0000000 0.0000000 1.1086223 6 Cu 0.4327089 0.5870943 -1.0696018 0.5870943 -0.2452092 -0.6175349 -0.3734222 -0.2155954 -0.0324692 7 Cu -0.5841683 -0.0000000 0.0000000 0.0000000 0.7716679 1.2350698 0.0000000 0.4311908 -0.0324692 8 Cu 0.4327089 -0.5870943 1.0696018 -0.5870943 -0.2452092 -0.6175349 0.3734222 -0.2155954 -0.0324692 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (yzy) -0.00000002 (yzy) -0.00000002 (yyz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 11 ] 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: 0.74, Number of G-points: 285, Lambda: 0.22 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/146) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.451 ( 0.000 0.000 0.000) 0.000 2.628 ( 0.000 0.000 0.000) 0.000 2.628 ( 0.000 0.000 0.000) 0.000 2.700 ( 0.000 0.000 0.000) 0.000 2.700 ( 0.000 0.000 0.000) 0.000 3.033 ( 0.000 0.000 0.000) 0.000 3.536 ( 0.000 0.000 0.000) 0.000 3.708 ( 0.000 0.000 0.000) 0.000 3.708 ( 0.000 0.000 0.000) 0.000 3.730 ( 0.000 0.000 0.000) 0.000 3.902 ( 0.000 0.000 0.000) 0.000 3.902 ( 0.000 0.000 0.000) 0.000 4.292 ( 0.000 0.000 0.000) 0.000 4.555 ( 0.000 0.000 0.000) 0.000 4.555 ( 0.000 0.000 0.000) 0.000 7.896 ( 0.000 0.000 0.000) 0.000 7.896 ( 0.000 0.000 0.000) 0.000 9.746 ( 0.000 0.000 0.000) 0.000 9.746 ( 0.000 0.000 0.000) 0.000 10.049 ( 0.000 0.000 0.000) 0.000 11.342 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/146) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 17.508 10.108 18.247) 27.233 0.494 ( 18.794 10.851 17.306) 27.757 0.670 ( 32.015 18.484 -7.278) 37.677 2.402 ( -5.394 -3.114 1.196) 6.342 2.548 ( -6.208 -3.584 -5.130) 8.815 2.683 ( -1.096 -0.633 0.406) 1.329 2.688 ( -0.619 -0.358 -0.223) 0.749 2.878 ( -3.841 -2.218 -0.117) 4.437 3.029 ( -1.567 -0.905 2.104) 2.776 3.520 ( -1.496 -0.864 0.013) 1.727 3.617 ( -6.632 -3.829 2.097) 7.940 3.673 ( -2.249 -1.298 1.355) 2.929 3.701 ( -3.555 -2.053 3.570) 5.440 3.997 ( 6.506 3.756 3.248) 8.185 4.056 ( 9.742 5.624 -2.813) 11.595 4.322 ( 2.118 1.223 2.373) 3.407 4.528 ( -1.984 -1.146 -1.945) 3.005 4.628 ( -2.798 -1.616 0.803) 3.330 7.909 ( 1.314 0.759 -0.818) 1.724 7.931 ( 3.111 1.796 0.355) 3.609 9.740 ( -0.538 -0.311 0.167) 0.643 9.879 ( -8.610 -4.971 -1.188) 10.013 10.218 ( 7.893 4.557 -4.469) 10.151 11.347 ( -2.217 -1.280 6.177) 6.686 ======================= Grid point 2 (3/146) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 16.850 9.728 16.742) 25.668 0.958 ( 17.123 9.886 14.453) 24.491 1.300 ( 29.022 16.756 -6.518) 34.139 2.252 ( -7.790 -4.497 -0.781) 9.029 2.345 ( -9.178 -5.299 -6.301) 12.330 2.652 ( -2.039 -1.177 1.037) 2.573 2.675 ( -0.427 -0.246 -0.992) 1.107 2.792 ( -4.159 -2.401 1.677) 5.087 3.000 ( -1.597 -0.922 0.142) 1.850 3.468 ( -3.428 -1.979 0.018) 3.959 3.493 ( -5.656 -3.265 1.931) 6.810 3.631 ( -3.363 -1.942 -1.243) 4.077 3.645 ( -1.100 -0.635 1.787) 2.192 4.166 ( 6.935 4.004 4.583) 9.227 4.196 ( 3.769 2.176 -5.906) 7.336 4.405 ( 3.944 2.277 5.465) 7.113 4.455 ( -3.458 -1.996 -3.450) 5.277 4.567 ( -2.405 -1.389 0.060) 2.778 7.944 ( 2.398 1.384 -1.350) 3.080 8.031 ( 5.901 3.407 0.693) 6.849 9.676 ( -10.019 -5.784 0.012) 11.568 9.725 ( -0.986 -0.570 0.278) 1.172 10.361 ( 6.981 4.030 -2.965) 8.589 11.318 ( -2.481 -1.432 3.576) 4.582 ======================= Grid point 3 (4/146) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 11.823 6.826 7.542) 15.597 1.344 ( 15.728 9.080 14.701) 23.365 1.843 ( 23.059 13.313 -4.932) 27.079 2.099 ( -4.842 -2.796 -2.263) 6.032 2.146 ( -5.976 -3.450 -1.691) 7.105 2.609 ( -2.399 -1.385 2.113) 3.484 2.662 ( -0.069 -0.040 -1.996) 1.998 2.710 ( -3.477 -2.007 -2.261) 4.607 2.961 ( -2.253 -1.301 0.507) 2.650 3.371 ( -5.437 -3.139 -0.316) 6.286 3.390 ( -5.153 -2.975 3.281) 6.795 3.553 ( -2.746 -1.585 -2.423) 3.990 3.637 ( -0.408 -0.235 1.530) 1.601 4.173 ( -2.563 -1.480 -3.267) 4.408 4.322 ( 5.003 2.889 5.192) 7.767 4.357 ( -3.450 -1.992 -4.811) 6.246 4.501 ( 0.827 0.477 4.343) 4.446 4.548 ( 1.960 1.132 -1.864) 2.932 7.996 ( 2.879 1.662 -1.429) 3.618 8.188 ( 8.239 4.757 0.893) 9.556 9.449 ( -11.017 -6.360 0.205) 12.722 9.702 ( -1.203 -0.695 0.300) 1.421 10.492 ( 6.228 3.596 -2.457) 7.600 11.274 ( -2.879 -1.662 2.712) 4.290 ======================= Grid point 4 (5/146) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 0.371 0.214 -3.098) 3.128 1.721 ( 13.058 7.539 12.036) 19.294 2.011 ( -0.879 -0.508 -2.572) 2.765 2.146 ( 4.472 2.582 7.990) 9.513 2.250 ( 14.308 8.261 -2.772) 16.752 2.580 ( -0.901 -0.520 2.558) 2.761 2.623 ( -2.179 -1.258 -7.253) 7.677 2.657 ( 0.816 0.471 -2.964) 3.110 2.896 ( -4.627 -2.671 1.566) 5.567 3.233 ( -6.947 -4.011 -0.965) 8.079 3.297 ( -4.615 -2.664 2.928) 6.080 3.501 ( -1.281 -0.739 -1.109) 1.849 3.638 ( -0.143 -0.082 1.030) 1.043 4.110 ( -1.295 -0.748 -2.024) 2.516 4.262 ( -3.107 -1.794 -2.805) 4.554 4.436 ( 3.441 1.987 2.678) 4.791 4.479 ( -2.464 -1.423 -0.486) 2.887 4.604 ( 1.904 1.099 1.365) 2.588 8.049 ( 2.393 1.382 -1.062) 2.961 8.389 ( 9.796 5.656 0.847) 11.343 9.206 ( -11.341 -6.548 0.049) 13.096 9.678 ( -1.023 -0.591 0.228) 1.203 10.603 ( 4.842 2.796 -1.894) 5.903 11.223 ( -2.711 -1.565 1.978) 3.703 ======================= Grid point 5 (6/146) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -1.567 -0.905 -2.532) 3.112 1.964 ( 3.404 1.965 3.791) 5.461 2.019 ( 3.036 1.753 0.679) 3.571 2.297 ( 3.874 2.237 5.354) 6.977 2.421 ( 1.770 1.022 0.476) 2.099 2.577 ( 0.617 0.356 1.014) 1.239 2.620 ( 5.461 3.153 -8.889) 10.898 2.673 ( 1.513 0.873 -2.010) 2.663 2.770 ( -7.648 -4.416 3.884) 9.648 3.090 ( -4.621 -2.668 -0.814) 5.397 3.235 ( -1.687 -0.974 0.910) 2.150 3.482 ( -0.388 -0.224 0.063) 0.452 3.639 ( -0.036 -0.021 0.367) 0.370 4.107 ( 1.035 0.597 -1.013) 1.566 4.205 ( -1.151 -0.664 -1.093) 1.720 4.416 ( -2.360 -1.362 -0.201) 2.732 4.494 ( 1.151 0.665 0.974) 1.648 4.634 ( 0.554 0.320 0.582) 0.864 8.083 ( 0.937 0.541 -0.390) 1.150 8.598 ( 7.999 4.618 0.491) 9.250 8.979 ( -8.483 -4.898 -0.154) 9.797 9.663 ( -0.407 -0.235 0.085) 0.478 10.673 ( 1.979 1.143 -0.781) 2.416 11.184 ( -1.239 -0.716 0.797) 1.638 ======================= Grid point 12 (7/146) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.306 ( -0.000 19.992 -7.313) 21.287 0.390 ( 0.000 13.716 13.996) 19.597 0.901 ( 0.000 35.060 21.561) 41.159 2.467 ( 0.000 -5.340 8.147) 9.741 2.602 ( 0.000 -4.597 2.591) 5.277 2.676 ( 0.000 -2.246 -0.654) 2.339 2.692 ( 0.000 -0.298 0.295) 0.420 2.767 ( -0.000 -5.278 -11.721) 12.855 3.040 ( 0.000 -2.414 1.751) 2.983 3.520 ( 0.000 -1.779 -0.022) 1.779 3.608 ( 0.000 -10.209 1.143) 10.273 3.656 ( 0.000 -3.544 -1.107) 3.713 3.730 ( 0.000 -5.031 5.733) 7.627 3.959 ( -0.000 5.774 -2.095) 6.142 4.114 ( -0.000 10.685 3.856) 11.359 4.331 ( 0.000 1.236 4.247) 4.423 4.551 ( 0.000 -1.025 1.298) 1.654 4.599 ( -0.000 -3.664 -3.162) 4.839 7.917 ( -0.000 1.967 0.407) 2.009 7.935 ( -0.000 3.772 0.621) 3.823 9.741 ( 0.000 -0.667 0.258) 0.715 9.871 ( 0.000 -8.598 -2.325) 8.907 10.189 ( -0.000 10.574 -6.728) 12.533 11.380 ( 0.000 -5.807 9.157) 10.843 ======================= Grid point 13 (8/146) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 18.764 1.208 18.225) 26.186 0.824 ( 23.365 17.965 -5.873) 30.052 1.333 ( 4.064 30.438 15.466) 34.383 2.300 ( -10.075 -9.340 4.441) 14.438 2.505 ( -8.446 2.804 -7.331) 11.531 2.660 ( -0.564 -2.180 0.486) 2.304 2.678 ( -0.628 -1.788 -0.345) 1.926 2.739 ( 4.180 -7.987 1.151) 9.088 3.014 ( -1.213 -1.461 0.343) 1.930 3.472 ( -2.307 -5.376 -0.133) 5.852 3.544 ( 2.280 -7.659 -0.757) 8.027 3.569 ( -4.776 -2.047 0.166) 5.199 3.706 ( -1.532 -1.789 1.693) 2.900 4.066 ( 6.515 3.812 -2.422) 7.927 4.220 ( 0.808 8.246 -0.887) 8.333 4.370 ( 1.654 -1.310 4.147) 4.653 4.505 ( -2.739 1.457 -0.985) 3.255 4.572 ( -0.280 -3.174 0.373) 3.208 7.946 ( 0.299 3.411 -0.589) 3.475 7.999 ( 2.788 4.860 1.281) 5.748 9.730 ( -0.723 -1.384 0.283) 1.587 9.732 ( -5.189 -9.006 -0.193) 10.396 10.298 ( 4.794 7.686 -4.834) 10.268 11.349 ( -1.654 -3.945 5.056) 6.623 ======================= Grid point 14 (9/146) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 21.298 -2.792 17.887) 27.952 1.318 ( 19.512 15.306 -3.304) 25.018 1.710 ( 7.451 19.221 2.285) 20.741 2.105 ( -5.921 -5.828 3.017) 8.839 2.343 ( -10.615 5.397 -4.777) 12.830 2.625 ( -0.771 -2.847 -0.167) 2.954 2.641 ( -1.272 -2.222 -0.892) 2.711 2.727 ( -0.434 -2.545 1.403) 2.939 2.985 ( -1.354 -0.790 0.686) 1.711 3.355 ( -2.870 -9.560 0.322) 9.986 3.487 ( -4.751 -0.403 1.092) 4.891 3.512 ( 1.435 -4.996 -1.337) 5.368 3.670 ( -1.965 -0.554 1.029) 2.287 4.147 ( 1.725 -1.117 -3.538) 4.091 4.279 ( 3.054 0.512 -1.852) 3.608 4.368 ( -1.132 -1.267 2.207) 2.785 4.533 ( -0.360 1.513 2.507) 2.950 4.541 ( 0.367 3.048 -0.874) 3.192 7.987 ( 0.955 4.071 -1.164) 4.341 8.125 ( 5.832 5.638 1.464) 8.243 9.535 ( -8.136 -9.130 0.333) 12.234 9.708 ( -0.784 -1.557 0.277) 1.765 10.427 ( 5.464 6.090 -3.732) 8.992 11.303 ( -2.008 -3.675 3.109) 5.216 ======================= Grid point 15 (10/146) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 15.286 -0.695 9.907) 18.229 1.637 ( 5.979 7.887 2.395) 10.183 1.961 ( 13.967 4.431 -5.763) 15.746 2.031 ( -1.983 0.950 -1.048) 2.436 2.302 ( -1.695 8.532 1.503) 8.828 2.564 ( -1.683 -4.285 -2.430) 5.205 2.609 ( -1.291 0.755 0.076) 1.497 2.701 ( -1.880 1.693 -0.955) 2.704 2.957 ( -2.934 0.356 2.228) 3.701 3.215 ( -2.264 -11.064 0.117) 11.294 3.398 ( -6.193 -0.993 0.673) 6.308 3.491 ( 0.455 -2.109 0.495) 2.214 3.646 ( -0.880 -0.609 0.921) 1.412 4.102 ( -1.050 -2.825 -2.042) 3.640 4.272 ( -1.278 -1.587 -3.599) 4.136 4.397 ( 3.058 -0.314 3.694) 4.806 4.508 ( -1.840 0.777 -2.183) 2.959 4.614 ( 0.973 3.615 2.289) 4.388 8.039 ( 1.315 3.878 -1.090) 4.238 8.301 ( 8.123 6.082 1.346) 10.236 9.307 ( -9.627 -8.763 0.209) 13.020 9.680 ( -0.662 -1.846 0.162) 1.968 10.550 ( 4.956 5.272 -2.909) 7.798 11.245 ( -2.076 -3.842 1.924) 4.772 ======================= Grid point 16 (11/146) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -3.928 8.995 -2.544) 10.139 1.843 ( 13.320 -3.286 9.125) 16.477 1.992 ( -0.284 1.170 -2.203) 2.511 2.218 ( 7.933 -0.461 0.759) 7.983 2.353 ( 7.979 -2.142 -6.969) 10.808 2.505 ( -1.870 0.390 -0.108) 1.914 2.602 ( -1.152 1.350 -0.870) 1.976 2.703 ( -0.346 2.471 -2.036) 3.220 2.907 ( -6.610 2.544 4.803) 8.557 3.104 ( -0.402 -5.767 -1.302) 5.926 3.281 ( -6.159 -1.898 0.056) 6.446 3.486 ( -0.150 -1.198 2.207) 2.516 3.635 ( -0.114 -0.968 0.257) 1.008 4.083 ( 1.301 -0.174 -0.447) 1.387 4.223 ( -1.834 0.276 -2.026) 2.747 4.439 ( 0.791 -1.600 -0.145) 1.791 4.473 ( -0.887 -0.001 -0.376) 0.964 4.653 ( -0.521 2.189 1.942) 2.972 8.085 ( 0.654 3.123 -0.568) 3.241 8.505 ( 9.130 5.561 1.031) 10.740 9.071 ( -9.619 -7.642 -0.145) 12.286 9.657 ( -0.093 -1.790 0.001) 1.793 10.652 ( 3.104 4.313 -1.824) 5.618 11.187 ( -1.272 -3.718 0.741) 3.998 ======================= Grid point 17 (12/146) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -5.115 11.551 -0.087) 12.633 1.922 ( 0.167 -11.022 -4.256) 11.817 2.007 ( 0.676 1.240 -1.353) 1.956 2.236 ( 5.079 -6.529 2.270) 8.578 2.448 ( 0.512 0.091 -1.653) 1.733 2.524 ( 4.299 -3.828 1.221) 5.884 2.586 ( -0.777 1.674 -3.681) 4.118 2.697 ( 2.717 -0.903 1.199) 3.104 2.858 ( -6.928 5.690 1.789) 9.142 3.090 ( -0.613 3.333 0.833) 3.490 3.203 ( 0.591 -1.860 -1.152) 2.266 3.481 ( -0.178 -1.085 1.960) 2.247 3.627 ( 0.442 -1.065 -0.617) 1.308 4.108 ( 0.641 -0.559 1.069) 1.366 4.208 ( -0.058 1.352 -0.836) 1.591 4.418 ( -0.552 1.893 -1.856) 2.708 4.474 ( 0.980 -2.334 0.690) 2.623 4.659 ( -1.589 1.346 1.073) 2.343 8.107 ( -0.920 2.074 0.159) 2.274 8.644 ( -0.181 -0.831 0.305) 0.903 8.917 ( 0.729 -0.706 -0.158) 1.026 9.647 ( 0.777 -1.371 -0.157) 1.584 10.702 ( -0.608 2.407 -0.261) 2.496 11.153 ( 1.049 -2.567 -0.737) 2.869 ======================= Grid point 18 (13/146) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -5.451 -2.219 -2.922) 6.571 1.721 ( -4.524 -6.499 -6.523) 10.260 2.016 ( -0.732 0.541 1.123) 1.445 2.211 ( -5.909 -0.800 -0.985) 6.044 2.386 ( -4.795 -2.243 -1.503) 5.503 2.544 ( 3.959 -3.589 3.921) 6.628 2.584 ( -0.430 1.415 -2.114) 2.580 2.759 ( -3.067 -0.330 5.252) 6.091 2.849 ( 3.484 6.217 -2.925) 7.703 3.118 ( 4.277 -3.251 0.797) 5.431 3.269 ( 4.216 5.748 -1.584) 7.303 3.485 ( 0.943 -1.116 1.739) 2.272 3.624 ( 0.739 -0.619 -1.264) 1.590 4.099 ( 0.121 -1.631 1.722) 2.375 4.241 ( 2.388 1.603 0.602) 2.938 4.416 ( 0.246 -3.146 -2.862) 4.260 4.488 ( 0.496 3.579 0.855) 3.713 4.638 ( -2.561 0.722 0.309) 2.678 8.095 ( -2.665 1.147 0.815) 3.013 8.494 ( -9.668 -5.425 -0.490) 11.097 9.073 ( 11.251 4.492 0.083) 12.115 9.655 ( 1.551 -0.778 -0.254) 1.754 10.672 ( -4.435 0.023 0.985) 4.543 11.169 ( 3.332 -0.787 -1.801) 3.869 ======================= Grid point 19 (14/146) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -9.053 -20.078 -12.966) 25.558 1.612 ( -12.871 3.899 -2.549) 13.688 2.002 ( 1.283 -1.538 0.148) 2.008 2.082 ( -12.063 -4.289 5.950) 14.118 2.284 ( -5.688 9.436 -0.687) 11.039 2.573 ( 1.660 1.642 -3.724) 4.395 2.617 ( 3.348 -2.041 3.557) 5.294 2.725 ( -1.757 -0.614 2.454) 3.080 2.937 ( 2.289 2.241 -0.376) 3.226 3.206 ( 10.393 -3.638 -1.259) 11.084 3.382 ( 3.246 5.948 -1.453) 6.931 3.507 ( 2.474 -2.213 2.192) 3.978 3.630 ( 1.006 0.579 -1.326) 1.763 4.130 ( 3.949 -0.497 1.770) 4.356 4.308 ( 3.405 0.955 0.482) 3.569 4.350 ( -2.348 -3.629 -2.128) 4.817 4.523 ( -1.148 3.052 -0.817) 3.361 4.595 ( -3.305 0.141 0.829) 3.411 8.054 ( -3.780 0.687 1.139) 4.007 8.287 ( -9.470 -4.258 -0.580) 10.400 9.306 ( 12.221 3.897 -0.044) 12.827 9.677 ( 1.868 -0.269 -0.255) 1.904 10.581 ( -6.406 -1.240 1.311) 6.656 11.218 ( 3.786 0.142 -1.925) 4.250 ======================= Grid point 20 (15/146) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -11.388 -17.780 -12.226) 24.398 1.313 ( -22.860 1.654 -4.973) 23.453 1.716 ( -27.438 -4.860 4.076) 28.161 2.089 ( 9.430 -0.857 0.747) 9.498 2.417 ( 3.114 13.998 5.578) 15.387 2.610 ( 3.210 0.317 -3.029) 4.425 2.658 ( 2.361 -1.531 1.657) 3.265 2.702 ( 1.302 -4.198 -1.682) 4.707 2.979 ( 1.804 0.594 0.005) 1.899 3.347 ( 9.845 -1.067 -0.896) 9.943 3.470 ( 2.731 4.459 -1.389) 5.410 3.535 ( 3.257 -3.984 1.531) 5.369 3.658 ( 1.492 1.649 -0.589) 2.301 4.182 ( -0.650 -2.220 0.466) 2.360 4.280 ( -1.506 2.377 -0.252) 2.825 4.355 ( 1.707 -3.356 -0.641) 3.819 4.499 ( -2.730 2.568 -1.123) 3.913 4.559 ( -1.375 -0.412 1.225) 1.887 8.002 ( -3.908 0.598 0.928) 4.061 8.112 ( -7.847 -2.489 -0.392) 8.241 9.532 ( 11.995 2.444 -0.058) 12.241 9.704 ( 1.671 0.003 -0.160) 1.679 10.462 ( -7.237 -1.265 1.062) 7.423 11.269 ( 3.138 0.259 -1.461) 3.471 ======================= Grid point 21 (16/146) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( -14.018 0.000 0.000) 14.018 0.904 ( -26.519 0.000 0.000) 26.519 1.195 ( -34.252 0.000 0.000) 34.252 2.266 ( 11.476 -0.000 -0.000) 11.476 2.567 ( 0.481 -0.000 -0.000) 0.481 2.654 ( 2.919 -0.000 -0.000) 2.919 2.682 ( 0.575 -0.000 -0.000) 0.575 2.727 ( 9.315 -0.000 -0.000) 9.315 3.009 ( 1.449 -0.000 -0.000) 1.449 3.473 ( 5.544 -0.000 -0.000) 5.544 3.552 ( 4.028 -0.000 -0.000) 4.028 3.564 ( 4.828 -0.000 -0.000) 4.828 3.691 ( 1.400 -0.000 -0.000) 1.400 4.087 ( -7.029 0.000 0.000) 7.029 4.226 ( -9.929 0.000 0.000) 9.929 4.334 ( -0.122 0.000 0.000) 0.122 4.513 ( 1.667 -0.000 -0.000) 1.667 4.569 ( 3.140 -0.000 -0.000) 3.140 7.950 ( -3.114 0.000 0.000) 3.114 7.989 ( -5.593 0.000 0.000) 5.593 9.727 ( 1.150 -0.000 -0.000) 1.150 9.734 ( 11.301 -0.000 -0.000) 11.301 10.337 ( -7.721 0.000 0.000) 7.721 11.309 ( 2.088 -0.000 -0.000) 2.088 ======================= Grid point 24 (17/146) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -0.000 20.113 -7.474) 21.457 0.766 ( 0.000 13.254 12.909) 18.502 1.642 ( -0.000 25.225 12.419) 28.116 2.386 ( 0.000 -10.943 7.494) 13.264 2.499 ( 0.000 -9.441 4.116) 10.299 2.530 ( -0.000 -3.977 -8.669) 9.538 2.694 ( -0.000 1.728 -1.624) 2.371 2.709 ( 0.000 1.255 1.282) 1.794 3.010 ( 0.000 -1.678 -0.267) 1.699 3.427 ( 0.000 -8.019 -1.527) 8.163 3.462 ( 0.000 -4.262 -0.510) 4.293 3.591 ( -0.000 -1.715 -1.751) 2.451 3.691 ( 0.000 -3.479 2.657) 4.378 4.046 ( -0.000 5.833 -3.337) 6.720 4.251 ( -0.000 1.092 -5.092) 5.207 4.375 ( 0.000 -0.232 5.392) 5.397 4.541 ( 0.000 -1.808 2.318) 2.939 4.550 ( -0.000 2.651 -1.088) 2.866 7.971 ( -0.000 3.200 0.391) 3.224 8.044 ( -0.000 6.941 1.139) 7.034 9.677 ( 0.000 -11.107 0.091) 11.107 9.724 ( 0.000 -1.376 0.271) 1.402 10.315 ( -0.000 8.717 -5.053) 10.076 11.340 ( 0.000 -5.195 4.213) 6.689 ======================= Grid point 25 (18/146) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 10.558 8.152 9.476) 16.362 1.122 ( 18.119 16.825 -0.901) 24.742 1.863 ( -1.858 15.046 2.122) 15.308 2.198 ( -8.480 -5.341 6.196) 11.782 2.428 ( -2.499 -4.904 -6.624) 8.613 2.551 ( 6.935 -7.639 2.306) 10.572 2.676 ( -3.772 3.218 -0.399) 4.974 2.728 ( -0.254 1.013 2.396) 2.614 2.989 ( -0.096 -1.375 -0.817) 1.602 3.315 ( -3.894 -8.268 -0.087) 9.139 3.439 ( 1.909 -4.106 -0.051) 4.528 3.546 ( -2.646 -0.529 -0.279) 2.713 3.675 ( -0.032 -2.680 1.733) 3.192 4.101 ( 1.752 2.461 -3.620) 4.715 4.216 ( 1.384 -2.901 -4.385) 5.437 4.393 ( -0.729 0.126 3.070) 3.157 4.539 ( 0.207 -1.387 1.751) 2.243 4.582 ( 0.075 5.154 -0.008) 5.155 8.011 ( 0.699 3.790 -0.341) 3.869 8.133 ( 1.847 7.897 1.563) 8.259 9.538 ( -3.929 -11.503 0.432) 12.163 9.705 ( -0.701 -1.794 0.179) 1.935 10.400 ( 3.321 7.697 -4.459) 9.495 11.298 ( -0.951 -5.338 2.772) 6.089 ======================= Grid point 26 (19/146) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 16.208 1.152 14.359) 21.684 1.562 ( 17.264 14.134 -3.210) 22.542 1.892 ( -2.306 7.374 -5.116) 9.267 2.098 ( -4.963 0.031 -0.197) 4.967 2.322 ( -1.303 -6.570 -4.125) 7.866 2.567 ( 1.133 -3.147 -0.502) 3.382 2.653 ( -2.708 4.306 -0.804) 5.150 2.735 ( -1.223 0.423 2.572) 2.879 2.985 ( 1.441 -0.682 -0.703) 1.742 3.163 ( -4.942 -8.880 1.716) 10.306 3.429 ( 0.153 -3.449 0.689) 3.520 3.501 ( -2.592 -0.168 1.507) 3.002 3.656 ( -0.737 -1.526 1.705) 2.404 4.084 ( -0.839 -1.587 -2.018) 2.701 4.231 ( 2.739 -0.471 -2.895) 4.013 4.381 ( -0.529 -2.355 2.575) 3.529 4.534 ( -0.940 0.918 -0.535) 1.419 4.643 ( 1.133 4.482 0.485) 4.648 8.059 ( 0.870 4.300 -0.939) 4.487 8.267 ( 4.557 7.830 1.761) 9.229 9.348 ( -6.505 -11.087 0.307) 12.858 9.673 ( -0.880 -2.256 0.052) 2.422 10.515 ( 4.518 6.880 -3.635) 8.998 11.237 ( -1.415 -5.591 1.619) 5.990 ======================= Grid point 27 (20/146) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 15.746 0.471 11.587) 19.555 1.786 ( -0.841 9.012 -1.418) 9.162 2.018 ( -2.936 1.418 -2.338) 4.012 2.054 ( 13.201 8.973 -6.144) 17.104 2.192 ( -0.659 -11.833 -6.229) 13.388 2.546 ( -1.034 -0.345 -0.301) 1.131 2.639 ( -2.349 2.498 -3.304) 4.762 2.723 ( -1.632 -0.958 2.026) 2.772 3.002 ( 2.311 -9.205 -0.427) 9.500 3.042 ( -3.318 4.247 2.506) 5.944 3.361 ( -5.099 -2.421 -0.212) 5.648 3.483 ( 0.025 -2.390 3.097) 3.912 3.638 ( -1.150 -0.909 1.269) 1.938 4.070 ( 0.376 0.524 0.768) 1.002 4.237 ( -0.225 0.215 -2.341) 2.361 4.372 ( 2.167 -4.281 1.433) 5.008 4.518 ( -2.344 2.284 -1.136) 3.465 4.693 ( 0.046 3.103 0.827) 3.212 8.108 ( 0.702 4.173 -0.826) 4.311 8.436 ( 6.663 6.921 1.565) 9.733 9.132 ( -7.812 -9.909 -0.109) 12.618 9.639 ( -0.424 -2.454 -0.079) 2.492 10.634 ( 4.084 6.419 -2.581) 8.034 11.165 ( -1.328 -5.888 0.643) 6.070 ======================= Grid point 28 (21/146) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 4.341 8.626 3.713) 10.346 1.767 ( -5.252 -4.163 -5.832) 8.884 2.001 ( 1.704 2.178 -3.462) 4.430 2.081 ( 4.653 -7.341 3.217) 9.268 2.316 ( 11.123 2.479 -3.400) 11.893 2.518 ( -2.457 -1.640 0.930) 3.097 2.608 ( -1.266 2.351 -3.798) 4.643 2.674 ( -1.415 -2.929 1.064) 3.423 2.934 ( -0.157 -4.758 0.196) 4.764 3.124 ( 2.703 7.794 0.363) 8.257 3.234 ( -7.044 -2.423 -0.430) 7.462 3.473 ( 0.491 -3.694 3.222) 4.926 3.614 ( -0.829 -0.839 -0.188) 1.195 4.099 ( 1.003 0.556 1.880) 2.202 4.221 ( -0.859 1.102 -2.596) 2.948 4.372 ( 2.486 -5.012 -0.279) 5.601 4.503 ( -2.181 3.824 0.555) 4.437 4.708 ( -1.503 1.969 0.853) 2.620 8.146 ( -0.344 3.473 -0.258) 3.500 8.607 ( 5.640 4.060 1.178) 7.048 8.930 ( -5.632 -6.658 -0.535) 8.737 9.617 ( 0.533 -2.158 -0.185) 2.231 10.731 ( 1.423 5.592 -1.116) 5.877 11.100 ( 0.282 -5.601 -0.452) 5.626 ======================= Grid point 29 (22/146) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -8.548 -14.812 -9.441) 19.534 1.835 ( -5.869 13.263 0.355) 14.508 2.041 ( 0.677 2.305 0.189) 2.410 2.196 ( 7.925 -2.580 4.797) 9.616 2.388 ( -2.332 -4.909 -1.399) 5.612 2.462 ( 3.318 -2.830 1.612) 4.650 2.620 ( -0.749 4.914 -2.633) 5.625 2.705 ( 6.147 -0.064 1.432) 6.312 2.891 ( -1.325 -1.021 -2.824) 3.282 3.097 ( -5.521 -3.900 1.199) 6.865 3.259 ( 3.940 7.976 -0.772) 8.930 3.463 ( 0.875 -3.723 2.879) 4.786 3.599 ( 0.287 -0.614 -1.226) 1.400 4.104 ( -1.334 -1.259 1.767) 2.547 4.221 ( 1.367 1.451 -2.027) 2.843 4.356 ( 1.564 -4.300 -1.676) 4.873 4.530 ( -0.363 4.301 1.780) 4.669 4.692 ( -2.516 1.116 0.417) 2.784 8.155 ( -2.027 2.411 0.330) 3.167 8.589 ( -7.507 -3.829 0.015) 8.427 8.938 ( 8.744 1.918 -0.011) 8.952 9.616 ( 1.592 -1.414 -0.219) 2.140 10.753 ( -3.558 2.782 0.352) 4.530 11.085 ( 3.780 -3.126 -1.393) 5.099 ======================= Grid point 30 (23/146) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -11.070 -11.921 -7.425) 17.882 1.815 ( -8.158 5.422 0.457) 9.807 2.034 ( -4.215 0.749 -0.305) 4.292 2.216 ( -5.062 -1.366 3.595) 6.357 2.344 ( 3.198 -0.175 -1.116) 3.392 2.528 ( 4.250 -1.103 1.627) 4.682 2.637 ( -1.991 6.518 -2.795) 7.367 2.754 ( -2.493 -4.089 2.651) 5.473 2.920 ( 5.775 4.461 -2.934) 7.865 3.013 ( 2.472 -6.666 1.080) 7.191 3.379 ( 3.092 6.108 -1.219) 6.954 3.460 ( 1.591 -3.734 2.305) 4.668 3.603 ( 1.436 -0.177 -1.026) 1.773 4.084 ( 0.824 -0.944 0.759) 1.464 4.266 ( 2.870 0.855 0.055) 2.995 4.329 ( 0.115 -2.481 -1.726) 3.025 4.565 ( -0.548 2.336 0.817) 2.535 4.654 ( -3.144 0.471 0.132) 3.182 8.129 ( -3.463 1.228 0.500) 3.708 8.408 ( -9.711 -2.757 -0.272) 10.098 9.134 ( 11.999 1.792 0.039) 12.132 9.638 ( 2.224 -0.561 -0.148) 2.298 10.684 ( -6.308 0.281 0.535) 6.337 11.138 ( 4.910 -0.669 -1.025) 5.060 ======================= Grid point 31 (24/146) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -12.887 0.000 0.000) 12.887 1.640 ( -16.809 0.000 0.000) 16.809 1.992 ( 1.505 -0.000 -0.000) 1.505 2.065 ( -15.768 0.000 0.000) 15.768 2.423 ( 5.807 -0.000 -0.000) 5.807 2.569 ( 0.999 -0.000 -0.000) 0.999 2.657 ( -2.857 0.000 0.000) 2.857 2.664 ( 0.004 -0.000 -0.000) 0.004 2.959 ( 0.676 -0.000 -0.000) 0.676 3.150 ( 12.794 -0.000 -0.000) 12.794 3.461 ( 2.779 -0.000 -0.000) 2.779 3.465 ( 1.863 -0.000 -0.000) 1.863 3.631 ( 2.113 -0.000 -0.000) 2.113 4.131 ( 4.586 -0.000 -0.000) 4.586 4.301 ( -1.385 0.000 0.000) 1.385 4.315 ( 2.395 -0.000 -0.000) 2.395 4.553 ( -2.433 0.000 0.000) 2.433 4.604 ( -3.293 0.000 0.000) 3.293 8.074 ( -4.077 0.000 0.000) 4.077 8.238 ( -9.312 0.000 0.000) 9.312 9.343 ( 12.521 -0.000 -0.000) 12.521 9.672 ( 2.195 -0.000 -0.000) 2.195 10.576 ( -7.072 0.000 0.000) 7.072 11.207 ( 4.164 -0.000 -0.000) 4.164 ======================= Grid point 36 (25/146) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -0.000 19.725 -7.366) 21.055 1.120 ( 0.000 12.743 11.127) 16.917 2.009 ( -0.000 10.676 -2.071) 10.875 2.299 ( 0.000 -4.843 6.371) 8.003 2.338 ( 0.000 -11.922 4.907) 12.892 2.363 ( -0.000 -7.342 -7.673) 10.620 2.733 ( -0.000 2.341 -1.368) 2.711 2.761 ( 0.000 2.501 2.286) 3.389 2.956 ( -0.000 -2.605 -3.688) 4.515 3.334 ( 0.000 -2.742 4.487) 5.258 3.358 ( 0.000 -5.720 -1.420) 5.894 3.556 ( -0.000 -0.563 -1.476) 1.579 3.662 ( 0.000 -1.832 3.386) 3.850 4.110 ( -0.000 4.407 -3.658) 5.727 4.150 ( -0.000 -3.264 -3.902) 5.087 4.409 ( 0.000 -0.950 1.692) 1.941 4.528 ( 0.000 -2.041 2.707) 3.390 4.628 ( -0.000 4.906 -0.552) 4.937 8.036 ( -0.000 3.346 0.013) 3.346 8.209 ( -0.000 9.351 1.336) 9.446 9.456 ( 0.000 -12.790 0.457) 12.798 9.695 ( 0.000 -1.878 0.062) 1.879 10.426 ( -0.000 7.904 -4.378) 9.036 11.262 ( 0.000 -6.106 1.957) 6.412 ======================= Grid point 37 (26/146) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 4.850 11.731 4.204) 13.372 1.419 ( 14.033 14.361 1.287) 20.120 2.018 ( -6.286 5.192 -1.993) 8.393 2.169 ( -4.006 -0.256 -2.283) 4.618 2.237 ( -0.964 -10.612 -3.677) 11.272 2.420 ( 9.084 -7.982 1.150) 12.147 2.720 ( -2.009 0.818 -1.189) 2.474 2.783 ( -1.703 2.370 2.180) 3.642 2.923 ( 1.267 -2.687 -3.438) 4.544 3.217 ( -6.235 -4.212 0.617) 7.550 3.381 ( 2.579 -3.969 3.083) 5.649 3.533 ( -1.600 -0.701 -1.084) 2.056 3.668 ( -0.429 -0.467 4.063) 4.112 4.090 ( -1.459 0.639 -1.619) 2.271 4.169 ( 3.003 0.980 -3.100) 4.426 4.384 ( -1.616 -2.849 2.081) 3.881 4.538 ( 1.341 -0.306 1.670) 2.164 4.670 ( 0.309 4.370 -1.102) 4.518 8.074 ( 0.985 3.217 -0.440) 3.393 8.315 ( 1.161 9.987 1.463) 10.161 9.312 ( -2.908 -12.959 0.272) 13.284 9.668 ( -0.968 -2.025 -0.053) 2.245 10.503 ( 2.868 7.416 -3.728) 8.782 11.204 ( -0.744 -6.418 1.140) 6.560 ======================= Grid point 38 (27/146) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 10.811 4.827 10.273) 15.675 1.751 ( 11.548 7.053 -3.318) 13.932 1.988 ( 1.995 5.081 -4.007) 6.771 2.071 ( -3.516 -12.275 -3.560) 13.255 2.140 ( -4.130 9.670 -4.421) 11.407 2.481 ( 6.119 -4.916 -1.309) 7.957 2.681 ( -2.342 -0.434 -1.710) 2.932 2.764 ( -2.912 0.072 1.318) 3.197 2.905 ( 0.257 -4.625 0.704) 4.685 3.112 ( -2.500 0.039 -0.887) 2.653 3.379 ( 0.142 -4.341 3.294) 5.451 3.478 ( -2.362 -2.333 -1.271) 3.555 3.666 ( -1.559 -0.297 3.019) 3.410 4.086 ( -0.325 1.184 1.160) 1.689 4.200 ( 2.278 -0.823 -2.757) 3.670 4.340 ( -1.351 -2.791 2.298) 3.859 4.567 ( -0.335 2.642 1.157) 2.903 4.709 ( 1.022 2.848 -1.342) 3.310 8.121 ( 1.471 3.109 -0.762) 3.523 8.445 ( 2.663 9.463 1.587) 9.958 9.131 ( -4.795 -12.012 -0.135) 12.934 9.630 ( -1.202 -2.097 -0.129) 2.421 10.616 ( 4.335 7.002 -2.749) 8.682 11.130 ( -1.322 -6.624 0.506) 6.774 ======================= Grid point 39 (28/146) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 9.930 0.071 6.284) 11.751 1.833 ( -1.152 -6.296 -3.173) 7.144 1.906 ( 5.923 -3.963 -5.651) 9.095 2.130 ( -1.941 8.522 -0.224) 8.743 2.199 ( 4.390 11.264 -2.203) 12.288 2.519 ( 2.409 -1.249 -1.487) 3.094 2.620 ( -1.941 -2.560 -1.735) 3.651 2.706 ( -3.990 -0.402 -0.409) 4.031 2.849 ( 0.652 -7.956 2.791) 8.456 3.147 ( 2.981 6.080 -2.205) 7.122 3.322 ( -5.072 -2.304 2.021) 5.926 3.424 ( 0.667 -5.230 0.474) 5.294 3.640 ( -2.309 -0.407 1.229) 2.647 4.102 ( 0.582 0.252 1.852) 1.957 4.206 ( 1.476 -1.463 -2.858) 3.533 4.314 ( -0.429 -1.954 1.401) 2.442 4.583 ( -2.189 4.097 1.492) 4.879 4.737 ( 0.305 1.393 -0.787) 1.629 8.169 ( 1.150 2.732 -0.557) 3.017 8.587 ( 3.743 7.665 1.525) 8.665 8.942 ( -5.251 -9.817 -0.652) 11.152 9.596 ( -0.503 -1.809 -0.154) 1.884 10.741 ( 4.034 6.959 -1.549) 8.192 11.045 ( -1.295 -6.933 -0.009) 7.053 ======================= Grid point 40 (29/146) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -8.444 -7.749 -4.985) 12.497 1.957 ( 12.658 0.367 8.555) 15.283 2.003 ( 6.891 2.727 -6.345) 9.756 2.119 ( -6.743 6.398 -0.548) 9.311 2.342 ( 4.019 3.438 -0.558) 5.318 2.450 ( -5.203 -6.641 2.191) 8.716 2.623 ( 3.915 0.149 -0.109) 3.920 2.673 ( -0.905 4.518 -2.817) 5.401 2.818 ( 2.909 -6.973 0.508) 7.573 3.197 ( -7.361 -0.707 -0.583) 7.418 3.272 ( 3.387 7.494 -0.684) 8.253 3.400 ( 2.110 -6.395 2.071) 7.045 3.605 ( -1.702 -0.126 -0.054) 1.708 4.121 ( 0.002 -0.168 1.807) 1.815 4.201 ( 1.053 -0.118 -2.821) 3.014 4.296 ( 0.278 -2.195 0.303) 2.234 4.590 ( -1.778 2.914 1.313) 3.658 4.734 ( -1.393 0.558 -0.209) 1.515 8.196 ( -0.329 1.707 -0.097) 1.741 8.669 ( -3.925 1.436 0.838) 4.263 8.831 ( 3.830 -2.803 -0.587) 4.782 9.583 ( 0.761 -1.005 -0.116) 1.266 10.837 ( -1.227 5.949 -0.060) 6.075 10.980 ( 2.875 -6.049 -0.679) 6.732 ======================= Grid point 41 (30/146) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -10.921 0.000 0.000) 10.921 1.988 ( -9.088 0.000 0.000) 9.088 2.085 ( 0.271 -0.000 -0.000) 0.271 2.195 ( 10.381 -0.000 -0.000) 10.381 2.309 ( -4.391 0.000 0.000) 4.391 2.446 ( 5.179 -0.000 -0.000) 5.179 2.689 ( -0.682 0.000 0.000) 0.682 2.711 ( 6.175 -0.000 -0.000) 6.175 2.823 ( 2.612 -0.000 -0.000) 2.612 3.063 ( -7.430 0.000 0.000) 7.430 3.383 ( 1.805 -0.000 -0.000) 1.805 3.392 ( 3.524 -0.000 -0.000) 3.524 3.588 ( -0.152 0.000 0.000) 0.152 4.098 ( -2.307 0.000 0.000) 2.307 4.228 ( 2.503 -0.000 -0.000) 2.503 4.297 ( 1.289 -0.000 -0.000) 1.289 4.588 ( -0.723 0.000 0.000) 0.723 4.704 ( -2.574 0.000 0.000) 2.574 8.184 ( -2.230 0.000 0.000) 2.230 8.546 ( -8.957 0.000 0.000) 8.957 8.959 ( 10.346 -0.000 -0.000) 10.346 9.600 ( 1.860 -0.000 -0.000) 1.860 10.788 ( -5.895 0.000 0.000) 5.895 11.041 ( 6.030 -0.000 -0.000) 6.030 ======================= Grid point 48 (31/146) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -0.000 17.753 -6.582) 18.934 1.442 ( 0.000 11.958 8.435) 14.634 2.096 ( -0.000 -9.302 -9.215) 13.094 2.153 ( 0.000 -12.564 5.062) 13.545 2.172 ( -0.000 6.012 0.574) 6.039 2.252 ( -0.000 -1.183 -3.211) 3.422 2.721 ( 0.000 -2.377 -0.906) 2.544 2.843 ( 0.000 3.797 2.785) 4.709 2.874 ( -0.000 -1.728 -3.333) 3.755 3.228 ( 0.000 -6.282 -2.083) 6.618 3.323 ( 0.000 -3.715 2.640) 4.558 3.538 ( -0.000 -0.197 -0.969) 0.989 3.690 ( 0.000 -0.221 4.365) 4.370 4.104 ( -0.000 -0.216 -1.454) 1.470 4.145 ( -0.000 2.607 -2.835) 3.851 4.398 ( 0.000 -0.691 3.047) 3.124 4.516 ( 0.000 -1.563 2.175) 2.678 4.701 ( -0.000 3.796 -1.591) 4.116 8.090 ( -0.000 2.479 -0.273) 2.494 8.413 ( -0.000 11.147 1.147) 11.205 9.209 ( 0.000 -13.753 0.088) 13.753 9.660 ( 0.000 -1.719 -0.115) 1.723 10.531 ( -0.000 7.009 -3.186) 7.699 11.154 ( 0.000 -6.392 0.665) 6.427 ======================= Grid point 49 (32/146) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 2.188 12.504 1.142) 12.745 1.645 ( 6.601 6.815 0.862) 9.527 1.945 ( -1.656 -8.879 -6.057) 10.875 2.025 ( -1.430 -4.685 1.597) 5.153 2.271 ( 7.944 -6.819 -1.563) 10.585 2.292 ( -0.001 12.206 -1.915) 12.356 2.678 ( -0.861 -4.797 0.215) 4.879 2.816 ( -3.068 0.020 -1.489) 3.410 2.908 ( 0.252 2.590 2.510) 3.615 3.125 ( -2.810 -4.379 -2.628) 5.829 3.319 ( 2.295 -4.745 1.719) 5.544 3.507 ( -2.927 -0.563 -0.972) 3.135 3.697 ( -0.826 -0.440 2.732) 2.888 4.091 ( 0.154 -1.322 -0.751) 1.528 4.160 ( 0.775 0.974 -2.135) 2.472 4.377 ( -3.269 -0.183 3.406) 4.725 4.565 ( 4.152 1.187 2.453) 4.967 4.719 ( -0.461 2.462 -2.215) 3.344 8.119 ( 1.154 1.853 -0.379) 2.215 8.528 ( 0.411 11.255 1.101) 11.317 9.065 ( -1.951 -13.135 -0.222) 13.281 9.634 ( -1.206 -1.386 -0.127) 1.842 10.604 ( 2.979 5.974 -2.235) 7.040 11.092 ( -0.940 -5.729 0.330) 5.815 ======================= Grid point 50 (33/146) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 5.706 7.971 5.881) 11.431 1.726 ( 6.346 -4.919 -5.350) 9.649 1.786 ( -3.779 -8.025 -2.321) 9.169 2.114 ( 5.618 6.186 0.142) 8.357 2.351 ( 5.054 4.449 -2.615) 7.223 2.391 ( 2.544 4.739 -0.245) 5.385 2.603 ( -1.689 -7.429 0.607) 7.642 2.756 ( -3.195 -0.028 -1.448) 3.508 2.874 ( -6.650 -1.395 2.862) 7.373 3.111 ( 4.451 1.565 -2.399) 5.293 3.319 ( 1.794 -4.045 2.243) 4.961 3.431 ( -4.820 -0.799 -1.146) 5.019 3.679 ( -2.045 -0.281 1.071) 2.326 4.083 ( 1.210 -1.649 -0.062) 2.046 4.168 ( 0.550 0.029 -0.941) 1.090 4.340 ( -2.416 -0.026 1.411) 2.798 4.650 ( 0.685 3.118 3.626) 4.832 4.716 ( 0.960 -0.063 -3.216) 3.357 8.157 ( 1.940 1.140 -0.316) 2.272 8.641 ( 0.851 9.487 1.077) 9.586 8.909 ( -3.124 -10.512 -0.586) 10.982 9.599 ( -1.486 -0.869 -0.085) 1.723 10.712 ( 5.156 4.366 -1.117) 6.848 11.021 ( -2.170 -4.332 0.145) 4.847 ======================= Grid point 51 (34/146) ======================= q-point: (-0.36 -0.64 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -6.990 0.000 0.000) 6.990 1.756 ( 11.544 -0.000 -0.000) 11.544 1.847 ( 9.970 -0.000 -0.000) 9.970 2.208 ( 1.751 -0.000 -0.000) 1.751 2.390 ( -4.547 0.000 0.000) 4.547 2.487 ( -0.264 0.000 0.000) 0.264 2.533 ( 4.778 -0.000 -0.000) 4.778 2.713 ( -1.597 0.000 0.000) 1.597 2.771 ( -3.595 0.000 0.000) 3.595 3.210 ( 5.412 -0.000 -0.000) 5.412 3.332 ( 1.608 -0.000 -0.000) 1.608 3.333 ( -5.870 0.000 0.000) 5.870 3.641 ( -2.553 0.000 0.000) 2.553 4.104 ( 2.056 -0.000 -0.000) 2.056 4.174 ( 0.703 -0.000 -0.000) 0.703 4.309 ( -1.902 0.000 0.000) 1.902 4.646 ( -2.743 0.000 0.000) 2.743 4.738 ( 1.301 -0.000 -0.000) 1.301 8.193 ( 1.572 -0.000 -0.000) 1.572 8.733 ( 3.267 -0.000 -0.000) 3.267 8.778 ( -5.077 0.000 0.000) 5.077 9.577 ( -0.603 0.000 0.000) 0.603 10.831 ( 6.546 -0.000 -0.000) 6.546 10.947 ( -3.812 0.000 0.000) 3.812 ======================= Grid point 61 (35/146) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -0.000 9.802 -3.622) 10.449 1.703 ( -0.000 8.959 3.092) 9.477 1.860 ( 0.000 -7.114 -2.350) 7.492 1.986 ( 0.000 -7.918 3.111) 8.508 2.097 ( 0.000 -5.490 -2.477) 6.023 2.419 ( -0.000 13.407 -2.247) 13.594 2.628 ( 0.000 -7.873 0.952) 7.930 2.836 ( -0.000 -0.415 -1.041) 1.121 2.950 ( 0.000 4.696 2.613) 5.374 3.092 ( 0.000 -5.663 -2.345) 6.129 3.266 ( 0.000 -2.458 0.232) 2.469 3.530 ( -0.000 -0.048 -0.338) 0.342 3.709 ( 0.000 -0.415 1.469) 1.527 4.067 ( -0.000 -1.554 -1.192) 1.959 4.159 ( -0.000 0.845 -1.062) 1.357 4.454 ( 0.000 1.603 3.116) 3.504 4.510 ( 0.000 -0.575 0.828) 1.007 4.737 ( -0.000 1.478 -1.229) 1.922 8.120 ( -0.000 0.912 -0.163) 0.927 8.636 ( -0.000 10.722 0.713) 10.746 8.959 ( 0.000 -11.751 -0.321) 11.756 9.635 ( 0.000 -0.708 -0.079) 0.712 10.616 ( -0.000 3.566 -1.225) 3.771 11.058 ( 0.000 -3.456 0.160) 3.460 ======================= Grid point 62 (36/146) ======================= q-point: (-0.45 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 5.535 -0.000 -0.000) 5.535 1.664 ( -6.034 0.000 0.000) 6.034 1.795 ( -2.580 0.000 0.000) 2.580 2.086 ( 2.952 -0.000 -0.000) 2.952 2.114 ( 13.932 -0.000 -0.000) 13.932 2.496 ( -1.186 0.000 0.000) 1.186 2.561 ( -0.546 0.000 0.000) 0.546 2.805 ( -2.857 0.000 0.000) 2.857 2.993 ( -6.033 0.000 0.000) 6.033 3.029 ( 4.211 -0.000 -0.000) 4.211 3.273 ( 1.848 -0.000 -0.000) 1.848 3.498 ( -3.569 0.000 0.000) 3.569 3.704 ( -0.847 0.000 0.000) 0.847 4.059 ( 0.444 -0.000 -0.000) 0.444 4.163 ( 0.260 -0.000 -0.000) 0.260 4.398 ( -4.317 0.000 0.000) 4.317 4.599 ( 6.474 -0.000 -0.000) 6.474 4.727 ( -1.640 0.000 0.000) 1.640 8.134 ( 1.217 -0.000 -0.000) 1.217 8.701 ( -0.110 0.000 0.000) 0.110 8.878 ( -1.363 0.000 0.000) 1.363 9.620 ( -1.302 0.000 0.000) 1.302 10.658 ( 3.317 -0.000 -0.000) 3.317 11.031 ( -1.301 0.000 0.000) 1.301 ======================= Grid point 137 (37/146) ======================= q-point: ( 0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.305 ( 0.000 -0.000 21.840) 21.840 0.305 ( 0.000 -0.000 21.840) 21.840 0.579 ( 0.000 -0.000 41.329) 41.329 2.606 ( -0.000 0.000 -3.185) 3.185 2.606 ( -0.000 0.000 -3.185) 3.185 2.701 ( 0.000 -0.000 0.069) 0.069 2.701 ( 0.000 -0.000 0.069) 0.069 2.756 ( 0.000 -0.000 4.085) 4.085 3.096 ( -0.000 0.000 -1.672) 1.672 3.536 ( 0.000 -0.000 0.002) 0.002 3.711 ( 0.000 -0.000 0.454) 0.454 3.711 ( 0.000 -0.000 0.454) 0.454 3.912 ( 0.000 -0.000 1.431) 1.431 3.912 ( 0.000 -0.000 1.431) 1.431 4.197 ( -0.000 0.000 -11.370) 11.370 4.538 ( 0.000 -0.000 2.840) 2.840 4.550 ( -0.000 0.000 -0.657) 0.657 4.550 ( -0.000 0.000 -0.657) 0.657 7.894 ( -0.000 0.000 -0.349) 0.349 7.894 ( -0.000 0.000 -0.349) 0.349 9.749 ( 0.000 -0.000 0.461) 0.461 9.749 ( 0.000 -0.000 0.461) 0.461 10.056 ( 0.000 -0.000 0.987) 0.987 11.679 ( -0.000 0.000 -0.273) 0.273 ======================= Grid point 138 (38/146) ======================= q-point: ( 0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 22.802 13.165 1.193) 26.357 0.743 ( 16.407 9.472 18.079) 26.187 0.945 ( 13.265 7.659 32.398) 35.836 2.465 ( -7.398 -4.271 -6.711) 10.863 2.474 ( -10.235 -5.909 6.875) 13.673 2.686 ( -0.928 -0.536 -0.076) 1.074 2.688 ( -1.012 -0.584 0.306) 1.208 2.834 ( 1.530 0.883 -3.231) 3.682 3.046 ( -2.632 -1.520 -0.496) 3.080 3.520 ( -1.482 -0.856 0.008) 1.712 3.628 ( -5.803 -3.350 0.337) 6.709 3.692 ( -1.759 -1.016 1.322) 2.424 3.761 ( -10.220 -5.900 1.147) 11.856 4.041 ( 3.654 2.110 -0.637) 4.267 4.044 ( 7.385 4.264 3.365) 9.167 4.385 ( 0.609 0.352 5.769) 5.811 4.499 ( -2.864 -1.654 -2.118) 3.927 4.624 ( -1.336 -0.772 -1.145) 1.921 7.896 ( 0.957 0.553 -0.968) 1.469 7.942 ( 3.338 1.927 0.997) 3.981 9.745 ( -0.569 -0.329 0.535) 0.847 9.844 ( -4.019 -2.321 -3.275) 5.680 10.138 ( 9.013 5.204 -4.427) 11.310 11.471 ( -8.109 -4.682 8.603) 12.715 ======================= Grid point 139 (39/146) ======================= q-point: ( 0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 23.213 13.402 -0.713) 26.814 1.144 ( 13.661 7.887 11.919) 19.771 1.396 ( 17.161 9.908 19.499) 27.801 2.264 ( -7.549 -4.359 -5.061) 10.080 2.268 ( -10.449 -6.033 2.706) 12.365 2.658 ( -1.727 -0.997 0.100) 1.997 2.663 ( -1.040 -0.600 -0.685) 1.382 2.789 ( -3.893 -2.248 -1.818) 4.849 3.002 ( -1.371 -0.792 0.029) 1.584 3.467 ( -3.513 -2.028 -0.055) 4.057 3.516 ( -4.591 -2.650 1.697) 5.566 3.614 ( -4.826 -2.786 -1.368) 5.738 3.666 ( -1.133 -0.654 1.319) 1.858 4.128 ( 3.414 1.971 -3.974) 5.598 4.216 ( 6.650 3.840 1.989) 7.933 4.417 ( -3.562 -2.056 -1.615) 4.419 4.462 ( 4.150 2.396 2.305) 5.317 4.567 ( -3.118 -1.800 0.053) 3.601 7.926 ( 2.251 1.299 -1.235) 2.877 8.048 ( 5.855 3.381 1.547) 6.936 9.676 ( -9.519 -5.496 0.094) 10.992 9.730 ( -1.051 -0.607 0.456) 1.296 10.304 ( 8.087 4.669 -4.658) 10.435 11.380 ( -4.275 -2.468 4.777) 6.870 ======================= Grid point 140 (40/146) ======================= q-point: ( 0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 5.552 3.206 0.535) 6.433 1.486 ( 18.363 10.602 4.431) 21.662 1.843 ( 18.204 10.510 5.788) 21.803 2.079 ( -6.915 -3.993 -0.513) 8.002 2.159 ( -0.418 -0.242 3.846) 3.876 2.613 ( -2.466 -1.424 -1.136) 3.066 2.637 ( -0.797 -0.460 -1.562) 1.813 2.679 ( -4.683 -2.704 -2.485) 5.951 2.976 ( -1.661 -0.959 1.336) 2.338 3.366 ( -5.798 -3.348 -0.513) 6.715 3.430 ( -5.010 -2.893 2.320) 6.233 3.530 ( -2.129 -1.229 -0.208) 2.467 3.653 ( -0.594 -0.343 0.728) 1.001 4.130 ( -1.279 -0.739 -2.807) 3.172 4.278 ( -1.232 -0.711 -5.641) 5.818 4.400 ( 2.539 1.466 5.169) 5.943 4.500 ( -1.753 -1.012 -2.475) 3.197 4.569 ( 3.473 2.005 2.603) 4.781 7.978 ( 2.971 1.715 -1.081) 3.597 8.206 ( 8.055 4.651 1.559) 9.431 9.453 ( -11.113 -6.416 0.435) 12.840 9.706 ( -1.282 -0.740 0.256) 1.502 10.447 ( 7.004 4.044 -3.768) 8.923 11.312 ( -3.715 -2.145 2.604) 5.019 ======================= Grid point 141 (41/146) ======================= q-point: ( 0.45 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -0.640 -0.370 -5.829) 5.875 1.850 ( 12.476 7.203 5.319) 15.356 1.982 ( -1.597 -0.922 -1.150) 2.174 2.209 ( 14.797 8.543 -3.026) 17.352 2.265 ( 4.972 2.870 8.575) 10.319 2.523 ( -3.836 -2.214 -5.142) 6.786 2.604 ( -1.794 -1.036 -0.485) 2.128 2.624 ( 0.794 0.458 -1.513) 1.769 2.931 ( -3.589 -2.072 2.768) 4.983 3.217 ( -7.237 -4.178 -1.247) 8.449 3.318 ( -5.302 -3.061 0.293) 6.129 3.514 ( -0.696 -0.402 3.337) 3.433 3.645 ( -0.366 -0.211 -0.053) 0.426 4.088 ( -0.770 -0.445 -0.975) 1.320 4.215 ( -1.629 -0.941 -3.682) 4.135 4.447 ( -2.003 -1.157 -3.280) 4.014 4.478 ( 2.040 1.178 3.037) 3.843 4.636 ( 1.471 0.849 2.383) 2.926 8.037 ( 2.674 1.544 -0.589) 3.143 8.404 ( 9.523 5.498 1.268) 11.069 9.208 ( -11.579 -6.685 0.128) 13.370 9.680 ( -1.097 -0.633 -0.001) 1.267 10.570 ( 5.685 3.282 -2.742) 7.114 11.244 ( -3.331 -1.923 0.930) 3.957 ======================= Grid point 142 (42/146) ======================= q-point: ( 0.55 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 1.562 0.902 -2.282) 2.909 1.973 ( 2.147 1.240 -2.948) 3.852 2.023 ( -0.263 -0.152 0.323) 0.443 2.332 ( -1.836 -1.060 -0.585) 2.199 2.439 ( 3.215 1.856 0.399) 3.734 2.475 ( 6.793 3.922 -8.551) 11.603 2.576 ( -0.053 -0.031 -1.425) 1.426 2.682 ( 3.386 1.955 3.503) 5.249 2.848 ( -5.267 -3.041 5.398) 8.132 3.077 ( -3.824 -2.208 -1.070) 4.543 3.232 ( -2.269 -1.310 -0.763) 2.729 3.510 ( -1.264 -0.730 3.736) 4.011 3.636 ( -0.253 -0.146 -0.816) 0.867 4.106 ( 1.904 1.099 0.946) 2.393 4.188 ( 0.326 0.188 -1.300) 1.353 4.387 ( -1.531 -0.884 -3.555) 3.970 4.508 ( -0.104 -0.060 0.915) 0.923 4.658 ( -0.332 -0.192 2.484) 2.513 8.081 ( 1.315 0.759 0.076) 1.521 8.608 ( 7.561 4.365 0.905) 8.777 8.975 ( -8.558 -4.941 -0.313) 9.887 9.662 ( -0.459 -0.265 -0.240) 0.582 10.658 ( 3.082 1.779 -1.347) 3.805 11.184 ( -1.950 -1.126 -0.750) 2.374 ======================= Grid point 143 (43/146) ======================= q-point: (-0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 3.879 2.240 2.341) 5.054 1.873 ( -10.196 -5.887 -8.716) 14.649 2.014 ( 1.809 1.044 -0.005) 2.089 2.201 ( -7.088 -4.092 -7.902) 11.377 2.421 ( -3.313 -1.913 -0.508) 3.859 2.524 ( 0.579 0.334 -5.406) 5.447 2.670 ( 4.844 2.796 -0.584) 5.623 2.722 ( -1.523 -0.879 4.548) 4.876 2.807 ( 0.581 0.336 6.836) 6.869 3.100 ( 5.404 3.120 0.631) 6.271 3.211 ( 0.747 0.431 -1.637) 1.850 3.505 ( -0.344 -0.199 2.965) 2.991 3.626 ( -0.139 -0.080 -1.414) 1.423 4.132 ( -0.650 -0.375 2.549) 2.657 4.216 ( 2.320 1.340 0.366) 2.704 4.387 ( 3.301 1.906 -4.290) 5.739 4.483 ( -2.189 -1.264 -0.602) 2.598 4.649 ( -1.511 -0.873 2.618) 3.146 8.091 ( -0.567 -0.327 0.730) 0.980 8.595 ( -8.547 -4.935 0.077) 9.869 8.980 ( 8.621 4.977 -0.049) 9.955 9.659 ( 0.391 0.226 -0.385) 0.593 10.679 ( -1.028 -0.594 0.004) 1.187 11.163 ( 0.750 0.433 -2.128) 2.297 ======================= Grid point 144 (44/146) ======================= q-point: (-0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -5.076 -2.931 -2.003) 6.194 1.547 ( -14.851 -8.574 -12.179) 21.033 2.048 ( 0.981 0.567 2.806) 3.027 2.062 ( 0.165 0.095 -3.706) 3.711 2.282 ( -10.648 -6.147 1.578) 12.396 2.513 ( 1.935 1.117 -6.484) 6.858 2.702 ( -1.534 -0.885 3.456) 3.883 2.718 ( 0.287 0.166 4.987) 4.998 2.900 ( 3.653 2.109 2.252) 4.782 3.244 ( 6.644 3.836 0.662) 7.700 3.250 ( 3.911 2.258 -3.124) 5.491 3.530 ( 1.470 0.849 2.684) 3.175 3.618 ( 0.022 0.013 -1.816) 1.816 4.139 ( 1.240 0.716 1.911) 2.388 4.278 ( 2.701 1.559 -0.912) 3.249 4.418 ( -3.138 -1.812 0.432) 3.649 4.444 ( 2.729 1.576 -4.791) 5.734 4.620 ( -2.310 -1.334 3.227) 4.187 8.065 ( -2.138 -1.234 1.193) 2.741 8.382 ( -9.973 -5.758 -0.114) 11.516 9.206 ( 11.251 6.496 0.033) 12.991 9.674 ( 1.044 0.603 -0.388) 1.266 10.619 ( -4.313 -2.490 0.290) 4.989 11.193 ( 2.624 1.515 -2.260) 3.780 ======================= Grid point 145 (45/146) ======================= q-point: (-0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -16.907 -9.761 -12.310) 23.080 1.202 ( -15.956 -9.212 -11.096) 21.508 1.932 ( -19.731 -11.392 6.655) 23.736 2.143 ( 3.424 1.977 4.141) 5.725 2.193 ( 9.337 5.391 4.749) 11.781 2.556 ( 4.075 2.353 -5.344) 7.120 2.692 ( -0.697 -0.403 2.354) 2.488 2.738 ( 0.085 0.049 1.454) 1.457 2.965 ( 1.964 1.134 0.985) 2.473 3.343 ( 5.755 3.323 -3.386) 7.459 3.374 ( 5.161 2.980 0.026) 5.960 3.587 ( 2.569 1.483 2.438) 3.840 3.612 ( 0.343 0.198 -2.055) 2.093 4.211 ( 4.239 2.448 1.602) 5.151 4.244 ( -4.268 -2.464 -5.672) 7.514 4.425 ( 2.423 1.399 4.645) 5.423 4.430 ( -2.211 -1.277 -4.757) 5.399 4.584 ( -2.195 -1.267 2.803) 3.779 8.015 ( -2.829 -1.633 1.316) 3.522 8.183 ( -8.297 -4.790 0.177) 9.583 9.448 ( 10.968 6.332 0.084) 12.665 9.698 ( 1.249 0.721 -0.246) 1.463 10.507 ( -5.796 -3.346 -0.376) 6.703 11.245 ( 2.803 1.618 -1.280) 3.480 ======================= Grid point 146 (46/146) ======================= q-point: (-0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -17.333 -10.007 -7.442) 21.354 0.762 ( -18.757 -10.829 -13.335) 25.435 1.456 ( -27.554 -15.908 13.656) 34.623 2.294 ( 7.537 4.351 5.245) 10.161 2.430 ( 9.227 5.327 5.744) 12.104 2.622 ( 3.782 2.183 -3.889) 5.848 2.690 ( -0.273 -0.158 1.289) 1.327 2.741 ( 1.297 0.749 -4.841) 5.067 3.004 ( 1.399 0.808 0.675) 1.751 3.460 ( 6.365 3.675 -2.758) 7.850 3.466 ( 3.448 1.991 -0.190) 3.986 3.618 ( 1.225 0.707 -2.052) 2.492 3.655 ( 2.581 1.490 2.366) 3.805 4.101 ( -6.139 -3.544 -4.540) 8.418 4.286 ( -3.890 -2.246 6.619) 7.999 4.326 ( -1.074 -0.620 -5.414) 5.555 4.502 ( 2.514 1.451 3.193) 4.315 4.562 ( 0.283 0.164 -0.626) 0.706 7.961 ( -2.592 -1.497 1.032) 3.166 8.031 ( -5.929 -3.423 0.615) 6.874 9.676 ( 10.063 5.810 0.051) 11.620 9.723 ( 1.039 0.600 -0.006) 1.200 10.369 ( -6.564 -3.790 -2.051) 7.852 11.299 ( 2.324 1.342 1.066) 2.887 ======================= Grid point 149 (47/146) ======================= q-point: ( 0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( 0.000 3.023 12.364) 12.728 0.694 ( 0.000 5.507 24.636) 25.244 1.228 ( 0.000 25.429 25.242) 35.830 2.500 ( -0.000 -0.804 -6.143) 6.195 2.617 ( -0.000 -1.016 -0.602) 1.181 2.681 ( 0.000 -9.787 1.032) 9.841 2.691 ( 0.000 -3.973 3.779) 5.483 2.696 ( 0.000 -0.141 0.175) 0.224 3.043 ( -0.000 -2.316 -1.202) 2.609 3.520 ( 0.000 -1.875 -0.021) 1.875 3.619 ( 0.000 -12.299 0.254) 12.301 3.646 ( 0.000 -4.755 -0.234) 4.761 3.791 ( 0.000 -8.095 2.011) 8.341 3.941 ( -0.000 3.845 -0.594) 3.891 4.131 ( -0.000 7.876 -0.638) 7.902 4.414 ( 0.000 -0.894 5.284) 5.359 4.551 ( -0.000 -3.484 -3.507) 4.943 4.563 ( 0.000 0.205 0.446) 0.491 7.919 ( -0.000 2.311 -0.126) 2.315 7.939 ( -0.000 4.731 -0.074) 4.732 9.747 ( 0.000 -0.777 0.601) 0.982 9.828 ( -0.000 -2.877 -3.136) 4.256 10.118 ( -0.000 8.238 -2.724) 8.677 11.502 ( 0.000 -10.180 6.929) 12.315 ======================= Grid point 150 (48/146) ======================= q-point: ( 0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 26.424 9.017 0.849) 27.933 0.960 ( 12.029 3.213 20.910) 24.336 1.556 ( 0.977 20.438 15.832) 25.872 2.357 ( -11.973 -5.086 0.659) 13.025 2.415 ( -7.677 -2.312 -2.300) 8.341 2.663 ( -1.574 -1.374 -0.155) 2.095 2.679 ( -0.779 -2.272 0.652) 2.489 2.747 ( 4.063 -4.295 -0.176) 5.914 3.009 ( -0.798 -1.329 -1.053) 1.874 3.471 ( -1.996 -5.883 0.030) 6.212 3.535 ( 2.130 -8.448 -0.306) 8.717 3.571 ( -3.400 -2.471 0.455) 4.227 3.727 ( -2.606 -1.670 1.242) 3.336 4.036 ( 6.042 2.204 -1.743) 6.664 4.199 ( 1.797 4.128 -2.160) 4.994 4.419 ( -0.785 -1.579 2.409) 2.985 4.490 ( -1.363 3.575 -1.284) 4.036 4.577 ( -0.240 -2.035 0.177) 2.057 7.935 ( -0.460 3.788 -0.860) 3.911 8.018 ( 3.212 5.100 1.323) 6.170 9.728 ( -4.711 -8.122 -0.276) 9.394 9.736 ( -0.571 -1.304 0.516) 1.514 10.230 ( 5.181 7.915 -4.414) 10.439 11.423 ( -2.734 -6.224 4.963) 8.417 ======================= Grid point 151 (49/146) ======================= q-point: ( 0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 22.098 2.466 3.715) 22.543 1.300 ( 16.168 10.209 7.086) 20.392 1.747 ( 1.864 6.442 3.018) 7.354 2.162 ( -8.367 -5.142 4.271) 10.709 2.299 ( -5.370 6.621 -0.788) 8.561 2.618 ( -1.978 -2.746 -0.814) 3.481 2.629 ( -1.723 -2.480 -0.820) 3.129 2.728 ( -2.266 -0.005 -1.358) 2.642 2.992 ( -0.284 -0.513 -0.006) 0.587 3.358 ( -2.661 -9.673 0.134) 10.033 3.494 ( -2.286 -3.391 0.215) 4.096 3.519 ( -0.566 -1.407 2.675) 3.075 3.684 ( -2.228 -0.373 0.930) 2.443 4.101 ( 1.756 -0.916 -2.865) 3.484 4.233 ( 2.474 -1.041 -4.039) 4.850 4.412 ( -0.149 0.329 3.570) 3.588 4.516 ( -1.481 1.275 -2.153) 2.907 4.564 ( 1.408 2.787 0.977) 3.271 7.971 ( 0.813 4.170 -1.005) 4.365 8.149 ( 5.694 5.736 1.767) 8.273 9.541 ( -8.109 -9.077 0.491) 12.181 9.712 ( -0.849 -1.720 0.307) 1.943 10.370 ( 6.085 6.481 -4.197) 9.830 11.346 ( -2.761 -4.844 2.879) 6.275 ======================= Grid point 152 (50/146) ======================= q-point: ( 0.45 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 1.466 6.251 -2.071) 6.746 1.699 ( 14.398 6.701 4.443) 16.491 1.897 ( 16.726 0.502 -2.685) 16.948 2.027 ( -3.623 -2.526 1.213) 4.580 2.318 ( -0.672 -0.024 0.805) 1.049 2.541 ( -3.085 -0.571 -1.342) 3.413 2.595 ( -0.865 -0.104 -1.702) 1.912 2.693 ( -2.988 3.580 -0.230) 4.668 2.981 ( -1.448 0.722 0.432) 1.675 3.212 ( -3.221 -10.625 -0.310) 11.107 3.402 ( -5.903 -1.935 0.397) 6.225 3.529 ( 0.348 -0.936 4.709) 4.814 3.655 ( -1.429 -0.291 0.461) 1.529 4.081 ( -0.116 -1.566 -0.633) 1.693 4.220 ( -1.045 0.102 -3.803) 3.946 4.436 ( 1.312 -1.859 1.049) 2.506 4.482 ( -1.520 1.074 -0.629) 1.964 4.636 ( 1.970 3.165 0.688) 3.791 8.026 ( 1.537 3.909 -0.695) 4.257 8.322 ( 7.796 6.077 1.590) 10.012 9.311 ( -9.832 -8.977 0.307) 13.317 9.682 ( -0.746 -1.964 0.022) 2.101 10.506 ( 5.676 5.737 -3.363) 8.743 11.267 ( -2.690 -4.506 1.130) 5.368 ======================= Grid point 153 (51/146) ======================= q-point: ( 0.55 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -4.176 11.944 -3.774) 13.204 1.887 ( 6.626 -2.190 -4.456) 8.280 2.003 ( 0.855 -2.230 4.797) 5.358 2.227 ( 17.521 3.634 -5.647) 18.764 2.259 ( 2.471 -8.610 1.003) 9.014 2.501 ( -2.437 1.814 -1.392) 3.342 2.568 ( -1.159 -0.128 -3.363) 3.559 2.707 ( -0.646 2.688 2.291) 3.591 2.958 ( -4.858 3.067 1.849) 6.035 3.082 ( -0.760 -6.056 -1.630) 6.318 3.282 ( -6.360 -1.967 0.581) 6.683 3.539 ( -0.637 -1.607 4.844) 5.143 3.631 ( -0.844 -0.869 -0.558) 1.334 4.092 ( 1.456 0.973 1.912) 2.592 4.190 ( -0.962 0.949 -2.534) 2.872 4.407 ( -2.085 0.205 -3.760) 4.305 4.489 ( 1.108 -1.725 1.912) 2.804 4.680 ( -0.006 1.638 1.707) 2.366 8.080 ( 1.061 3.173 -0.143) 3.349 8.521 ( 8.777 5.533 1.225) 10.448 9.069 ( -9.852 -7.901 -0.177) 12.630 9.655 ( -0.171 -1.839 -0.250) 1.864 10.624 ( 4.041 4.940 -2.127) 6.727 11.188 ( -1.986 -4.111 -0.503) 4.594 ======================= Grid point 154 (52/146) ======================= q-point: (-0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -2.659 11.592 -0.302) 11.897 1.822 ( -2.930 -13.849 -8.664) 16.596 1.993 ( 1.861 1.934 -0.877) 2.824 2.250 ( -0.757 -2.037 -1.534) 2.660 2.421 ( 2.503 -0.880 -2.803) 3.860 2.518 ( 0.881 4.248 -2.803) 5.165 2.544 ( 4.338 -2.176 0.009) 4.853 2.724 ( 3.284 -1.928 2.705) 4.671 2.884 ( -6.042 0.234 1.222) 6.169 3.101 ( 1.644 6.201 0.051) 6.415 3.192 ( -1.350 -3.003 0.500) 3.330 3.527 ( -1.134 -1.632 4.274) 4.714 3.611 ( 0.171 -1.172 -1.595) 1.987 4.138 ( 0.665 -0.415 3.349) 3.439 4.188 ( 1.531 0.734 -1.866) 2.523 4.370 ( -0.650 2.022 -4.904) 5.344 4.491 ( -0.240 -0.795 1.485) 1.702 4.686 ( -1.538 0.400 2.533) 2.991 8.111 ( -0.482 2.128 0.429) 2.223 8.652 ( -1.075 -1.285 0.841) 1.875 8.913 ( 1.192 -0.481 -0.484) 1.374 9.643 ( 0.733 -1.343 -0.423) 1.587 10.695 ( 0.336 3.122 -0.695) 3.216 11.134 ( 0.360 -2.711 -1.972) 3.372 ======================= Grid point 155 (53/146) ======================= q-point: (-0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -7.769 -15.413 -7.804) 18.943 1.681 ( -3.864 5.521 -0.628) 6.768 2.023 ( -1.594 0.008 -0.072) 1.596 2.181 ( -4.861 6.285 -3.214) 8.571 2.355 ( -3.819 -3.270 -2.616) 5.667 2.500 ( -2.097 2.903 -5.929) 6.927 2.629 ( 5.241 -4.358 4.258) 8.036 2.803 ( -3.892 1.670 0.387) 4.253 2.848 ( 7.353 0.583 2.572) 7.811 3.134 ( 1.803 -3.894 1.930) 4.705 3.248 ( 4.188 6.516 -1.166) 7.833 3.523 ( 0.353 -1.448 3.519) 3.822 3.601 ( 0.719 -0.519 -1.848) 2.050 4.125 ( -0.060 -2.495 1.666) 3.000 4.243 ( 3.316 1.504 -0.065) 3.642 4.361 ( 1.006 -1.572 -5.078) 5.410 4.495 ( -1.406 3.932 0.490) 4.205 4.665 ( -2.381 -0.543 3.162) 3.995 8.106 ( -2.298 1.083 0.807) 2.665 8.492 ( -9.910 -5.635 0.195) 11.401 9.073 ( 11.290 4.535 -0.031) 12.167 9.650 ( 1.556 -0.677 -0.432) 1.751 10.677 ( -4.103 0.394 -0.250) 4.129 11.140 ( 3.227 -0.349 -2.199) 3.920 ======================= Grid point 156 (54/146) ======================= q-point: (-0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -10.794 -18.070 -7.083) 22.208 1.551 ( -18.753 6.094 -6.081) 20.635 2.004 ( 2.639 -2.124 0.614) 3.443 2.154 ( -10.225 -4.688 3.825) 11.881 2.287 ( 0.749 10.301 0.831) 10.361 2.501 ( 1.710 4.319 -6.043) 7.622 2.670 ( 2.333 -3.445 3.781) 5.622 2.754 ( -2.516 -2.304 1.349) 3.669 2.949 ( 2.111 1.212 1.727) 2.984 3.188 ( 9.193 -3.383 -0.874) 9.835 3.363 ( 3.262 5.719 -1.165) 6.686 3.537 ( 1.881 -2.688 1.821) 3.752 3.614 ( 1.275 1.404 -0.758) 2.042 4.142 ( 3.865 -1.081 -0.335) 4.028 4.274 ( -1.577 1.002 -3.791) 4.226 4.348 ( 2.928 -2.498 0.459) 3.876 4.506 ( -2.269 4.042 -0.482) 4.660 4.629 ( -2.931 -1.239 3.065) 4.418 8.068 ( -3.528 0.314 0.819) 3.635 8.286 ( -9.466 -4.386 0.386) 10.439 9.306 ( 12.214 3.870 0.115) 12.813 9.674 ( 1.912 -0.123 -0.270) 1.935 10.582 ( -6.370 -1.043 -1.089) 6.546 11.197 ( 3.925 0.893 -0.933) 4.133 ======================= Grid point 157 (55/146) ======================= q-point: (-0.09 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -12.545 -7.846 2.319) 14.977 1.206 ( -25.982 8.214 -8.812) 28.639 1.800 ( -21.907 -9.359 6.459) 24.682 2.123 ( 9.366 -3.349 4.138) 10.773 2.482 ( 6.736 11.753 2.527) 13.780 2.546 ( 2.006 1.548 -4.711) 5.349 2.679 ( 0.942 -4.592 0.354) 4.701 2.695 ( -0.641 -2.185 1.520) 2.738 2.985 ( 1.569 0.127 0.755) 1.746 3.330 ( 9.843 0.433 -1.545) 9.973 3.450 ( 2.800 4.135 -1.341) 5.170 3.548 ( 2.493 -3.358 0.309) 4.194 3.658 ( 1.893 1.865 0.680) 2.743 4.153 ( -2.957 -0.532 -3.623) 4.706 4.271 ( 3.388 2.633 -2.726) 5.083 4.354 ( -1.764 -2.197 1.791) 3.338 4.510 ( -0.305 1.905 2.088) 2.843 4.574 ( -2.878 -1.904 0.992) 3.590 8.011 ( -3.766 -0.332 0.350) 3.796 8.115 ( -7.785 -2.575 0.865) 8.246 9.533 ( 11.977 2.391 0.229) 12.216 9.703 ( 1.732 0.149 0.010) 1.739 10.451 ( -7.453 -1.052 -2.578) 7.956 11.268 ( 3.554 1.050 1.270) 3.917 ======================= Grid point 161 (56/146) ======================= q-point: ( 0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( -0.000 12.715 2.740) 13.006 1.017 ( 0.000 6.484 21.164) 22.135 1.779 ( -0.000 14.719 7.068) 16.328 2.415 ( -0.000 -1.363 -6.809) 6.944 2.487 ( 0.000 -11.827 6.496) 13.494 2.541 ( 0.000 -7.295 2.058) 7.580 2.688 ( 0.000 0.523 0.374) 0.643 2.721 ( -0.000 2.434 0.225) 2.444 2.987 ( -0.000 -2.384 -3.015) 3.844 3.431 ( 0.000 -6.455 2.522) 6.930 3.453 ( 0.000 -4.987 -0.658) 5.031 3.574 ( 0.000 -2.181 -0.537) 2.246 3.725 ( 0.000 -3.276 2.166) 3.927 4.011 ( -0.000 4.463 -1.749) 4.794 4.184 ( -0.000 -1.012 -4.536) 4.647 4.428 ( 0.000 -0.698 2.048) 2.164 4.530 ( -0.000 4.116 -1.944) 4.552 4.566 ( 0.000 -0.778 1.246) 1.469 7.971 ( -0.000 3.325 -0.365) 3.345 8.058 ( -0.000 7.472 0.842) 7.519 9.678 ( 0.000 -10.286 0.111) 10.287 9.730 ( 0.000 -1.610 0.460) 1.674 10.248 ( -0.000 8.695 -4.219) 9.664 11.399 ( 0.000 -7.239 3.986) 8.264 ======================= Grid point 162 (57/146) ======================= q-point: ( 0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 20.811 9.690 1.741) 23.023 1.239 ( 8.069 7.701 15.409) 19.022 1.858 ( -4.340 7.623 -2.274) 9.062 2.268 ( -9.503 -7.961 1.858) 12.535 2.363 ( -1.476 -2.464 -0.667) 2.948 2.573 ( 4.240 -7.239 0.957) 8.444 2.666 ( -3.413 2.157 -1.235) 4.222 2.749 ( -0.070 2.331 0.546) 2.395 2.957 ( 1.505 -2.704 -3.481) 4.658 3.328 ( -4.443 -7.249 1.356) 8.610 3.458 ( 2.204 -3.034 3.024) 4.817 3.547 ( -1.120 -1.048 0.657) 1.669 3.704 ( -0.837 -1.758 2.553) 3.211 4.060 ( 1.563 1.874 -2.247) 3.317 4.162 ( 2.384 -1.665 -3.325) 4.417 4.428 ( -0.344 -0.732 1.780) 1.955 4.550 ( -1.464 1.234 -0.818) 2.083 4.572 ( 0.967 3.362 -0.880) 3.607 8.002 ( 0.145 3.994 -0.849) 4.086 8.155 ( 2.275 7.946 1.503) 8.400 9.545 ( -3.901 -11.426 0.482) 12.083 9.708 ( -0.736 -2.034 0.293) 2.183 10.339 ( 3.570 7.986 -4.073) 9.649 11.336 ( -1.309 -6.754 2.655) 7.374 ======================= Grid point 163 (58/146) ======================= q-point: ( 0.45 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 18.343 2.926 7.282) 19.951 1.556 ( 14.611 11.052 3.084) 18.578 1.819 ( -4.384 6.842 -4.925) 9.502 2.084 ( -6.010 -3.869 -1.128) 7.237 2.286 ( -1.882 -9.030 -0.974) 9.275 2.556 ( 0.564 -3.471 -1.130) 3.694 2.628 ( -3.179 3.056 -2.929) 5.294 2.761 ( -1.577 2.461 1.282) 3.192 2.955 ( 2.902 -2.120 -3.111) 4.753 3.188 ( -4.784 -7.563 1.564) 9.085 3.452 ( -1.926 -2.434 2.202) 3.806 3.529 ( 0.026 -2.304 2.320) 3.270 3.688 ( -1.771 -0.342 3.001) 3.501 4.070 ( 0.365 0.470 0.467) 0.757 4.195 ( 2.566 0.083 -2.327) 3.465 4.410 ( -0.538 -3.054 1.368) 3.390 4.526 ( -2.161 1.799 -0.556) 2.866 4.632 ( 2.310 4.187 -1.944) 5.161 8.045 ( 0.817 4.368 -0.969) 4.549 8.292 ( 4.555 7.760 1.744) 9.166 9.352 ( -6.646 -11.351 0.336) 13.158 9.673 ( -0.946 -2.430 0.068) 2.609 10.464 ( 4.960 7.387 -3.448) 9.542 11.258 ( -1.873 -6.438 1.302) 6.831 ======================= Grid point 164 (59/146) ======================= q-point: ( 0.55 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 7.483 7.452 3.445) 11.109 1.757 ( 0.272 1.987 -3.374) 3.925 1.949 ( 10.727 3.109 -6.110) 12.731 2.025 ( 3.904 4.754 1.915) 6.443 2.150 ( -0.320 -10.768 0.329) 10.778 2.527 ( -0.689 -0.640 -2.577) 2.743 2.583 ( -2.420 1.401 -4.521) 5.316 2.754 ( -2.216 -0.321 2.207) 3.144 2.986 ( 3.966 -2.310 -1.597) 4.860 3.060 ( -4.558 -2.114 0.358) 5.038 3.373 ( -5.869 -2.192 1.681) 6.486 3.521 ( 1.395 -4.126 1.966) 4.779 3.660 ( -2.650 -0.688 2.100) 3.451 4.099 ( 0.636 1.386 3.561) 3.874 4.202 ( -0.371 0.441 -2.444) 2.511 4.380 ( 0.764 -3.802 -0.741) 3.948 4.513 ( -2.173 3.026 0.536) 3.764 4.693 ( 1.512 2.756 -0.811) 3.246 8.098 ( 1.049 4.154 -0.603) 4.326 8.458 ( 6.409 6.922 1.522) 9.555 9.130 ( -8.035 -10.274 -0.104) 13.043 9.637 ( -0.512 -2.516 -0.163) 2.573 10.599 ( 4.729 7.074 -2.411) 8.844 11.170 ( -1.934 -6.244 0.013) 6.537 ======================= Grid point 165 (60/146) ======================= q-point: ( 0.64 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -5.360 -9.083 -7.016) 12.667 1.753 ( -1.235 14.680 -1.902) 14.854 1.951 ( 3.512 -0.752 -3.701) 5.157 2.164 ( 6.147 -5.342 6.925) 10.690 2.283 ( 11.696 3.658 -1.102) 12.305 2.506 ( -0.326 0.951 -2.586) 2.775 2.557 ( -0.814 3.169 -3.267) 4.624 2.692 ( -2.386 -4.752 1.376) 5.493 2.936 ( -1.912 -5.422 0.110) 5.751 3.104 ( 3.625 7.504 -2.409) 8.675 3.252 ( -6.955 -2.416 2.226) 7.692 3.513 ( 1.539 -4.590 1.764) 5.152 3.616 ( -2.363 -0.798 0.870) 2.642 4.139 ( 1.135 0.383 3.761) 3.947 4.180 ( -1.065 0.208 -2.923) 3.118 4.350 ( 0.388 -2.888 -2.791) 4.035 4.523 ( -1.270 3.826 2.161) 4.574 4.719 ( -0.464 1.160 0.751) 1.458 8.143 ( 0.121 3.438 -0.079) 3.441 8.625 ( 5.315 4.089 1.360) 6.842 8.922 ( -5.763 -6.958 -0.695) 9.061 9.613 ( 0.455 -2.093 -0.331) 2.168 10.715 ( 2.293 6.379 -1.064) 6.861 11.087 ( -0.547 -5.584 -1.254) 5.749 ======================= Grid point 166 (61/146) ======================= q-point: (-0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -9.459 -12.624 -4.971) 16.540 1.833 ( -4.657 13.144 -0.692) 13.961 2.030 ( 3.920 3.187 -2.231) 5.523 2.208 ( 2.239 -1.154 -2.864) 3.814 2.377 ( -3.031 -3.548 0.777) 4.730 2.504 ( 4.578 -3.308 2.970) 6.382 2.572 ( -1.404 5.945 -3.851) 7.221 2.714 ( 8.285 0.176 0.370) 8.295 2.857 ( -2.732 -2.496 -1.944) 4.180 3.131 ( -4.278 -4.651 3.513) 7.230 3.240 ( 3.864 7.946 -1.690) 8.995 3.502 ( 1.395 -4.589 1.815) 5.128 3.588 ( -0.637 -0.087 0.314) 0.715 4.125 ( -2.113 -2.315 0.555) 3.183 4.203 ( 3.094 1.667 0.403) 3.538 4.317 ( 0.263 -1.800 -3.690) 4.114 4.552 ( -0.905 3.496 1.382) 3.866 4.710 ( -1.882 -0.097 2.009) 2.755 8.159 ( -1.671 2.253 0.227) 2.814 8.594 ( -8.116 -4.224 0.683) 9.175 8.936 ( 9.133 2.151 -0.361) 9.390 9.612 ( 1.561 -1.234 -0.359) 2.022 10.754 ( -3.336 3.202 -0.305) 4.634 11.063 ( 3.571 -2.397 -1.740) 4.640 ======================= Grid point 167 (62/146) ======================= q-point: (-0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -11.662 -5.402 0.873) 12.882 1.814 ( -9.204 5.267 -0.757) 10.632 2.026 ( -5.174 0.847 -0.823) 5.308 2.239 ( -4.201 -3.720 -0.383) 5.624 2.277 ( 4.910 3.204 -7.358) 9.408 2.542 ( -0.004 2.985 -1.757) 3.464 2.625 ( 1.943 2.794 2.532) 4.242 2.769 ( -2.329 -4.360 -0.422) 4.961 2.900 ( 9.092 3.547 -0.384) 9.767 3.051 ( -0.448 -6.370 4.194) 7.640 3.356 ( 3.238 5.599 -1.659) 6.677 3.490 ( 1.481 -4.408 1.451) 4.872 3.599 ( 1.228 0.703 0.662) 1.562 4.088 ( 0.524 -1.584 -0.220) 1.683 4.269 ( 1.922 0.625 0.079) 2.023 4.300 ( 1.269 0.368 -1.927) 2.337 4.561 ( -1.317 1.852 -0.670) 2.369 4.678 ( -2.727 -1.016 2.627) 3.921 8.133 ( -3.301 0.721 0.049) 3.379 8.410 ( -9.758 -2.805 0.643) 10.173 9.134 ( 12.084 1.789 -0.049) 12.216 9.635 ( 2.245 -0.315 -0.219) 2.278 10.679 ( -6.516 0.345 -1.214) 6.637 11.127 ( 5.115 0.569 -0.459) 5.167 ======================= Grid point 168 (63/146) ======================= q-point: (-0.09 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -11.402 8.795 10.704) 17.942 1.614 ( -18.627 4.794 -3.430) 19.538 1.955 ( -3.947 -1.246 -4.086) 5.816 2.086 ( -6.228 -4.070 1.735) 7.640 2.387 ( 5.559 0.567 -4.495) 7.171 2.570 ( 1.303 1.569 -0.007) 2.039 2.656 ( -2.577 -2.111 0.022) 3.331 2.693 ( 0.212 -1.048 3.165) 3.340 2.974 ( -0.096 -0.529 1.664) 1.748 3.150 ( 12.187 1.105 0.176) 12.239 3.437 ( 2.738 3.471 -1.586) 4.697 3.484 ( 1.811 -3.851 1.202) 4.422 3.638 ( 2.022 0.578 0.939) 2.303 4.115 ( 3.680 -0.088 -2.092) 4.234 4.272 ( -0.478 2.348 -2.791) 3.678 4.344 ( 1.625 -0.175 2.623) 3.090 4.543 ( -1.321 0.296 -0.875) 1.612 4.623 ( -3.932 -1.740 2.016) 4.749 8.069 ( -4.105 -0.855 -0.582) 4.234 8.246 ( -9.222 0.013 1.126) 9.291 9.344 ( 12.614 -0.060 0.177) 12.615 9.672 ( 2.250 0.218 0.027) 2.260 10.558 ( -7.441 0.228 -2.438) 7.834 11.217 ( 4.591 0.995 1.223) 4.854 ======================= Grid point 173 (64/146) ======================= q-point: ( 0.36 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -0.000 15.998 -1.434) 16.062 1.319 ( 0.000 7.195 16.422) 17.929 1.954 ( -0.000 8.178 -5.295) 9.743 2.261 ( -0.000 -9.023 -6.824) 11.313 2.382 ( 0.000 -7.589 5.441) 9.338 2.398 ( 0.000 -10.596 3.782) 11.251 2.709 ( -0.000 2.017 -2.065) 2.887 2.783 ( -0.000 3.705 0.728) 3.776 2.896 ( -0.000 -2.638 -4.226) 4.982 3.334 ( 0.000 -6.257 -1.794) 6.509 3.408 ( 0.000 -3.256 5.255) 6.182 3.545 ( 0.000 -0.874 -0.069) 0.877 3.717 ( 0.000 -0.447 4.548) 4.570 4.070 ( -0.000 3.751 -2.095) 4.297 4.109 ( -0.000 -1.318 -1.532) 2.021 4.426 ( 0.000 -1.099 0.372) 1.160 4.557 ( 0.000 -1.482 1.606) 2.185 4.601 ( -0.000 5.367 -3.061) 6.179 8.031 ( -0.000 3.454 -0.758) 3.537 8.227 ( -0.000 9.417 1.189) 9.492 9.463 ( 0.000 -12.909 0.437) 12.916 9.697 ( 0.000 -2.120 0.213) 2.131 10.369 ( -0.000 8.289 -3.642) 9.054 11.291 ( 0.000 -7.356 2.099) 7.650 ======================= Grid point 174 (65/146) ======================= q-point: ( 0.45 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 13.978 11.632 0.967) 18.211 1.507 ( 6.267 7.798 9.850) 14.040 1.958 ( -5.385 7.190 -6.210) 10.921 2.118 ( -3.152 -3.407 -3.254) 5.669 2.231 ( -3.858 -11.564 1.823) 12.326 2.438 ( 6.637 -8.258 1.107) 10.653 2.692 ( -2.666 1.828 -2.859) 4.315 2.807 ( -1.428 1.773 0.925) 2.457 2.881 ( 2.075 -0.425 -2.227) 3.073 3.213 ( -4.837 -5.987 -0.815) 7.740 3.423 ( 2.752 -4.802 2.501) 6.074 3.524 ( -1.615 -1.497 0.056) 2.203 3.726 ( -1.135 -0.626 3.947) 4.154 4.087 ( -0.047 2.182 1.310) 2.545 4.137 ( 2.958 0.300 -1.522) 3.340 4.407 ( -1.315 -1.739 0.795) 2.320 4.558 ( 0.528 0.368 1.248) 1.404 4.635 ( 0.278 4.749 -3.591) 5.961 8.064 ( 0.727 3.442 -0.942) 3.642 8.335 ( 1.451 9.811 1.325) 10.006 9.316 ( -2.983 -13.265 0.239) 13.599 9.669 ( -1.000 -2.205 0.107) 2.424 10.456 ( 3.022 8.020 -2.983) 9.074 11.222 ( -0.964 -7.281 1.392) 7.476 ======================= Grid point 175 (66/146) ======================= q-point: ( 0.55 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 13.816 3.628 6.493) 15.691 1.701 ( 7.300 2.899 -3.951) 8.792 1.926 ( -0.391 4.783 -3.939) 6.208 2.052 ( -3.306 -5.509 0.053) 6.426 2.116 ( -1.854 5.465 1.520) 5.968 2.465 ( 4.503 -4.834 -1.248) 6.724 2.633 ( -4.111 1.804 -4.889) 6.638 2.783 ( -1.709 -2.236 1.209) 3.063 2.918 ( 1.592 -0.049 1.064) 1.915 3.094 ( -2.817 -2.915 -1.492) 4.319 3.423 ( 0.796 -4.261 2.590) 5.050 3.464 ( -2.341 -3.448 -0.500) 4.197 3.702 ( -2.229 -1.253 2.074) 3.293 4.118 ( 0.594 0.054 3.559) 3.609 4.169 ( 2.199 -0.925 -1.644) 2.898 4.361 ( -2.105 -1.899 0.464) 2.873 4.588 ( -1.255 4.395 1.844) 4.929 4.673 ( 2.379 2.715 -3.662) 5.142 8.110 ( 1.447 3.369 -0.843) 3.762 8.466 ( 2.837 9.239 1.355) 9.759 9.130 ( -4.968 -12.390 -0.112) 13.349 9.629 ( -1.269 -2.167 -0.002) 2.511 10.581 ( 4.620 7.748 -2.115) 9.265 11.138 ( -1.709 -7.003 0.659) 7.238 ======================= Grid point 176 (67/146) ======================= q-point: ( 0.64 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 1.088 -2.613 -2.538) 3.802 1.816 ( 2.753 -6.870 -6.729) 10.002 1.863 ( 7.984 3.337 5.169) 10.079 2.149 ( -2.683 5.454 3.194) 6.866 2.180 ( 6.454 10.804 -0.693) 12.604 2.491 ( 2.733 0.152 -2.639) 3.802 2.579 ( -1.333 2.228 -3.598) 4.437 2.708 ( -4.014 -5.219 0.436) 6.599 2.891 ( -1.141 -6.953 3.086) 7.693 3.107 ( 3.034 6.280 -3.079) 7.623 3.354 ( -6.319 -1.702 2.202) 6.905 3.428 ( 2.806 -6.202 0.001) 6.807 3.655 ( -2.746 -1.244 1.039) 3.189 4.136 ( 1.267 -1.965 2.670) 3.549 4.173 ( 0.108 -0.431 -1.578) 1.639 4.321 ( -1.043 -1.399 -0.359) 1.782 4.605 ( -2.525 4.321 1.398) 5.196 4.720 ( 1.864 1.494 -1.310) 2.724 8.161 ( 1.370 2.954 -0.433) 3.285 8.606 ( 3.833 7.559 1.247) 8.566 8.934 ( -5.531 -10.213 -0.558) 11.628 9.594 ( -0.591 -1.745 -0.109) 1.846 10.723 ( 4.531 7.693 -1.109) 8.997 11.044 ( -1.938 -6.787 -0.091) 7.059 ======================= Grid point 177 (68/146) ======================= q-point: (-0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -8.977 -3.193 0.796) 9.562 1.872 ( 10.800 2.046 -9.910) 14.800 2.060 ( -0.223 10.380 1.660) 10.515 2.127 ( 0.688 -3.975 3.624) 5.424 2.344 ( 4.829 3.126 0.859) 5.816 2.473 ( -4.239 -6.062 1.213) 7.496 2.615 ( 1.991 -0.901 -1.983) 2.951 2.634 ( 2.142 7.532 -1.452) 7.964 2.823 ( -0.086 -6.380 0.156) 6.382 3.196 ( -2.299 1.720 0.553) 2.924 3.265 ( -1.136 4.440 -0.314) 4.594 3.415 ( 2.870 -6.430 -0.021) 7.041 3.612 ( -1.819 -0.646 0.966) 2.158 4.134 ( -0.660 -1.976 -0.734) 2.208 4.183 ( 1.783 1.811 0.785) 2.660 4.292 ( -0.660 -1.307 -0.649) 1.601 4.602 ( -1.756 1.422 0.400) 2.295 4.739 ( -0.600 0.409 0.736) 1.034 8.195 ( -0.163 1.797 -0.108) 1.808 8.684 ( -4.941 0.395 1.293) 5.122 8.820 ( 4.745 -2.114 -1.001) 5.290 9.581 ( 0.699 -0.816 -0.157) 1.086 10.835 ( -0.814 6.500 -0.107) 6.552 10.970 ( 2.269 -5.395 -0.850) 5.914 ======================= Grid point 178 (69/146) ======================= q-point: (-0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -10.388 5.748 6.804) 13.684 1.982 ( -8.712 1.711 -0.870) 8.921 2.041 ( 7.742 1.151 -6.281) 10.036 2.173 ( 2.370 -1.047 -2.264) 3.441 2.287 ( -6.190 -1.259 -2.758) 6.892 2.482 ( 5.781 -2.344 3.993) 7.406 2.658 ( 2.195 3.702 -2.650) 5.054 2.729 ( 1.583 -3.518 0.653) 3.913 2.811 ( 3.907 5.264 -0.847) 6.610 3.098 ( -6.365 -2.697 4.168) 8.072 3.349 ( 2.222 4.434 -3.073) 5.835 3.409 ( 3.555 -4.871 0.877) 6.094 3.599 ( -0.025 0.040 1.418) 1.418 4.092 ( -1.862 -0.760 -0.667) 2.119 4.246 ( 1.826 0.607 2.380) 3.061 4.283 ( 1.294 2.042 -1.927) 3.091 4.578 ( -1.039 -1.270 -1.016) 1.930 4.718 ( -2.083 -1.018 1.670) 2.857 8.182 ( -2.331 -0.189 -0.290) 2.357 8.552 ( -8.878 -0.324 0.777) 8.918 8.957 ( 10.441 0.151 -0.332) 10.448 9.600 ( 1.853 0.252 -0.096) 1.873 10.781 ( -6.213 -0.131 -0.984) 6.292 11.042 ( 6.136 1.429 0.149) 6.302 ======================= Grid point 179 (70/146) ======================= q-point: (-0.09 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -9.396 15.180 12.400) 21.736 1.803 ( -8.226 -6.021 -1.136) 10.257 2.033 ( -3.126 -0.868 -0.430) 3.272 2.146 ( -7.685 1.813 -6.287) 10.093 2.294 ( 6.396 5.310 -7.088) 10.925 2.535 ( 2.019 -2.164 1.649) 3.388 2.665 ( -1.602 -5.062 0.429) 5.327 2.715 ( -0.108 2.718 -1.833) 3.280 2.976 ( 5.833 -2.995 4.383) 7.887 3.013 ( 0.370 4.373 0.714) 4.446 3.377 ( 3.747 -3.783 -1.509) 5.535 3.450 ( 1.702 1.217 1.218) 2.421 3.620 ( 1.319 0.381 1.288) 1.883 4.072 ( 0.401 0.370 -0.769) 0.943 4.261 ( 1.154 -0.584 -1.023) 1.649 4.350 ( 1.437 4.010 1.545) 4.532 4.541 ( -0.416 -2.272 -2.051) 3.089 4.672 ( -2.854 -1.921 1.939) 3.949 8.119 ( -3.717 -1.505 -0.787) 4.087 8.417 ( -9.534 2.561 1.101) 9.933 9.133 ( 12.149 -1.803 -0.096) 12.282 9.639 ( 2.259 0.764 0.035) 2.385 10.666 ( -6.757 -0.021 -1.950) 7.033 11.153 ( 5.191 1.541 1.094) 5.524 ======================= Grid point 185 (71/146) ======================= q-point: ( 0.45 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -0.000 16.255 -3.118) 16.551 1.575 ( 0.000 6.587 9.524) 11.580 1.984 ( -0.000 -5.273 -6.360) 8.262 2.152 ( -0.000 10.559 -1.780) 10.708 2.223 ( 0.000 -12.315 5.088) 13.324 2.243 ( 0.000 -9.738 0.741) 9.767 2.708 ( -0.000 -0.792 -1.406) 1.614 2.838 ( -0.000 -0.908 -1.471) 1.728 2.871 ( -0.000 4.827 0.976) 4.925 3.192 ( 0.000 -6.502 -2.803) 7.080 3.347 ( 0.000 -5.404 1.046) 5.504 3.535 ( 0.000 -0.472 0.522) 0.704 3.740 ( 0.000 -1.628 2.641) 3.103 4.104 ( 0.000 -1.495 1.594) 2.186 4.114 ( -0.000 2.833 -1.599) 3.253 4.426 ( -0.000 1.648 0.134) 1.653 4.541 ( 0.000 -1.735 1.394) 2.226 4.669 ( -0.000 4.662 -2.369) 5.230 8.082 ( -0.000 2.773 -0.852) 2.901 8.428 ( -0.000 10.963 0.946) 11.004 9.211 ( 0.000 -14.079 0.075) 14.079 9.660 ( 0.000 -1.854 0.125) 1.858 10.493 ( -0.000 7.767 -2.199) 8.072 11.169 ( 0.000 -7.121 1.364) 7.250 ======================= Grid point 186 (72/146) ======================= q-point: ( 0.55 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 8.989 11.926 -0.189) 14.936 1.654 ( -0.177 2.021 -0.313) 2.053 1.917 ( -0.924 -5.307 2.323) 5.867 2.050 ( -2.882 -5.060 2.095) 6.189 2.245 ( 0.898 7.509 -0.548) 7.582 2.296 ( 6.780 -2.737 0.952) 7.373 2.671 ( -1.787 -2.330 -1.670) 3.378 2.801 ( -2.688 -0.881 -0.337) 2.849 2.934 ( 0.631 4.680 0.994) 4.826 3.089 ( -2.557 -5.408 -2.341) 6.424 3.330 ( 2.813 -5.311 -0.066) 6.011 3.509 ( -3.000 -0.807 1.100) 3.295 3.723 ( -1.077 -1.659 0.917) 2.180 4.094 ( 0.647 -2.965 1.129) 3.238 4.145 ( 1.301 1.670 0.206) 2.127 4.401 ( -3.484 -0.047 -0.391) 3.506 4.586 ( 4.936 1.103 -0.152) 5.060 4.689 ( -1.546 3.744 -1.124) 4.203 8.111 ( 1.082 2.260 -0.729) 2.609 8.541 ( 0.609 10.972 0.792) 11.018 9.063 ( -2.051 -13.426 -0.119) 13.582 9.634 ( -1.231 -1.451 0.145) 1.908 10.579 ( 3.019 6.904 -1.350) 7.655 11.103 ( -1.101 -6.235 1.216) 6.447 ======================= Grid point 187 (73/146) ======================= q-point: ( 0.64 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 3.699 6.533 2.036) 7.778 1.648 ( 6.096 -4.326 -4.309) 8.628 1.805 ( -1.685 -5.815 3.679) 7.085 2.135 ( 4.937 4.662 2.926) 7.393 2.331 ( 2.565 6.940 -0.467) 7.414 2.391 ( 3.735 3.179 0.447) 4.925 2.598 ( -2.179 -3.884 -1.679) 4.760 2.732 ( -4.147 -0.952 -1.625) 4.555 2.908 ( -5.149 -3.675 1.912) 6.609 3.087 ( 4.226 3.949 -1.169) 5.901 3.323 ( 2.470 -5.050 -1.244) 5.758 3.442 ( -4.827 -0.930 2.347) 5.447 3.685 ( -2.035 -1.247 -0.237) 2.398 4.090 ( 1.452 -2.237 0.938) 2.827 4.174 ( 0.318 0.131 1.700) 1.734 4.341 ( -2.471 -0.619 -1.353) 2.885 4.661 ( 1.751 0.030 -4.448) 4.780 4.696 ( 0.223 3.519 2.786) 4.494 8.152 ( 1.977 1.613 -0.382) 2.580 8.652 ( 1.083 8.831 0.465) 8.909 8.904 ( -3.331 -10.467 -0.182) 10.986 9.600 ( -1.544 -0.853 0.141) 1.769 10.700 ( 5.177 5.467 -0.579) 7.551 11.028 ( -2.433 -4.649 0.934) 5.330 ======================= Grid point 188 (74/146) ======================= q-point: (-0.27 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -1.881 -3.381 -0.250) 3.877 1.662 ( 4.542 5.974 -4.039) 8.522 1.942 ( 11.657 -0.977 7.934) 14.135 2.205 ( 0.470 -0.264 -0.575) 0.788 2.383 ( -4.130 4.435 -0.979) 6.139 2.487 ( -1.126 -1.554 -0.027) 1.920 2.543 ( 4.581 -1.181 1.446) 4.946 2.678 ( -0.909 6.193 -3.373) 7.111 2.796 ( -3.578 -5.405 2.234) 6.856 3.211 ( 4.707 5.365 0.099) 7.138 3.293 ( 0.449 -5.139 -2.628) 5.789 3.371 ( -4.412 0.181 2.583) 5.116 3.638 ( -2.077 -0.767 -0.471) 2.264 4.106 ( 1.372 -1.082 0.327) 1.777 4.185 ( 0.552 1.309 1.325) 1.942 4.301 ( -1.298 -0.595 -1.035) 1.764 4.630 ( -1.678 -1.408 -1.816) 2.845 4.745 ( 0.767 0.968 0.674) 1.407 8.193 ( 1.585 0.430 0.038) 1.643 8.723 ( 2.663 -4.405 -1.237) 5.294 8.787 ( -4.426 3.813 1.123) 5.949 9.577 ( -0.667 0.100 0.091) 0.681 10.832 ( 6.483 1.420 0.100) 6.638 10.950 ( -4.094 -0.419 0.414) 4.136 ======================= Grid point 189 (75/146) ======================= q-point: (-0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( -5.158 8.643 6.437) 11.948 1.823 ( 11.753 3.531 -8.220) 14.770 2.078 ( 2.020 -4.101 3.051) 5.496 2.124 ( -6.084 -7.621 0.165) 9.753 2.359 ( 4.199 -2.391 1.689) 5.119 2.416 ( -3.923 5.556 -2.350) 7.196 2.623 ( 2.290 1.554 -0.024) 2.767 2.700 ( -1.755 -4.145 1.039) 4.619 2.812 ( 4.591 8.037 -0.209) 9.258 3.206 ( -5.559 -1.130 0.450) 5.691 3.285 ( 1.831 -6.880 0.956) 7.183 3.368 ( 1.787 6.175 -1.862) 6.692 3.609 ( -0.770 -0.206 0.251) 0.836 4.101 ( -0.277 -0.680 -0.803) 1.088 4.244 ( 1.569 1.607 3.118) 3.843 4.281 ( 0.462 2.114 -1.930) 2.900 4.572 ( -1.821 -3.275 -0.886) 3.851 4.740 ( -1.277 -1.282 0.336) 1.840 8.197 ( -0.637 -1.521 0.039) 1.650 8.662 ( -2.550 -2.546 -0.283) 3.614 8.837 ( 2.788 3.520 0.184) 4.494 9.584 ( 0.734 1.152 0.042) 1.367 10.837 ( -2.186 -5.197 0.018) 5.638 10.987 ( 3.425 6.320 0.259) 7.193 ======================= Grid point 190 (76/146) ======================= q-point: (-0.09 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -7.652 12.082 9.676) 17.266 1.820 ( -3.653 -10.837 -2.071) 11.622 2.032 ( -0.995 -0.487 -1.041) 1.520 2.109 ( 8.682 3.544 -6.247) 11.267 2.367 ( -5.791 8.561 -3.542) 10.926 2.485 ( 4.395 -1.115 3.339) 5.631 2.642 ( -0.899 -3.477 0.109) 3.593 2.675 ( 3.816 0.757 -2.092) 4.418 2.924 ( 1.720 1.801 1.568) 2.943 3.102 ( -6.357 0.076 1.726) 6.588 3.255 ( 3.946 -6.157 -1.450) 7.456 3.444 ( 1.902 2.667 0.527) 3.318 3.612 ( 0.697 0.470 0.569) 1.015 4.088 ( -0.972 0.714 -0.282) 1.239 4.240 ( -0.310 -1.584 0.191) 1.626 4.368 ( 2.765 5.629 0.484) 6.290 4.508 ( -0.930 -4.058 -1.146) 4.318 4.696 ( -1.886 -2.382 0.774) 3.136 8.150 ( -2.462 -2.331 -0.345) 3.408 8.594 ( -6.851 3.327 0.668) 7.645 8.936 ( 8.547 -1.704 -0.297) 8.721 9.618 ( 1.606 1.530 0.017) 2.218 10.745 ( -4.404 -2.150 -0.859) 4.975 11.099 ( 4.224 3.345 0.550) 5.416 ======================= Grid point 197 (77/146) ======================= q-point: ( 0.55 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -0.000 12.193 -2.868) 12.526 1.704 ( -0.000 4.204 -1.195) 4.370 1.910 ( 0.000 -5.256 7.389) 9.068 2.045 ( 0.000 -11.107 5.301) 12.307 2.082 ( 0.000 -3.970 0.547) 4.008 2.397 ( -0.000 13.912 -0.821) 13.936 2.636 ( 0.000 -6.690 0.089) 6.691 2.826 ( -0.000 0.355 -0.127) 0.377 2.980 ( -0.000 5.265 1.503) 5.475 3.047 ( -0.000 -5.275 -4.046) 6.648 3.267 ( 0.000 -2.689 -0.067) 2.690 3.536 ( 0.000 -0.290 1.121) 1.158 3.716 ( 0.000 -1.632 -0.474) 1.699 4.078 ( 0.000 -1.845 2.695) 3.266 4.149 ( -0.000 1.861 -0.345) 1.893 4.444 ( -0.000 0.873 -4.509) 4.593 4.519 ( 0.000 -1.472 0.545) 1.570 4.731 ( -0.000 2.503 0.456) 2.544 8.115 ( -0.000 1.359 -0.577) 1.476 8.643 ( -0.000 10.226 0.263) 10.230 8.957 ( 0.000 -11.753 -0.022) 11.753 9.636 ( 0.000 -0.752 0.249) 0.793 10.604 ( -0.000 4.761 -0.399) 4.778 11.069 ( 0.000 -4.157 1.504) 4.420 ======================= Grid point 198 (78/146) ======================= q-point: (-0.36 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 4.984 0.570 -0.617) 5.054 1.646 ( -4.870 1.034 -1.164) 5.113 1.843 ( -2.957 0.335 5.527) 6.277 2.099 ( 4.933 -6.593 2.038) 8.483 2.152 ( 10.945 3.072 5.080) 12.451 2.500 ( -1.306 6.529 0.632) 6.688 2.559 ( -0.651 -5.138 -0.357) 5.192 2.802 ( -3.534 1.568 -0.352) 3.883 2.957 ( -3.255 -4.038 -3.559) 6.290 3.056 ( 2.540 4.656 2.214) 5.747 3.263 ( 0.988 -0.450 -1.319) 1.708 3.512 ( -3.119 -0.303 1.861) 3.645 3.692 ( -0.734 -1.093 -1.759) 2.197 4.079 ( -0.296 0.103 2.650) 2.668 4.174 ( 0.892 0.512 1.769) 2.047 4.370 ( -3.590 -1.044 -4.088) 5.540 4.571 ( 5.204 -0.673 -3.001) 6.045 4.741 ( -0.902 0.953 1.202) 1.779 8.132 ( 1.295 0.469 -0.314) 1.413 8.696 ( -0.173 -1.397 -0.704) 1.574 8.882 ( -1.312 0.858 0.580) 1.672 9.622 ( -1.322 -0.033 0.311) 1.358 10.662 ( 3.243 1.469 0.498) 3.595 11.040 ( -1.421 -0.895 1.382) 2.175 ======================= Grid point 199 (79/146) ======================= q-point: (-0.27 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 2.584 -9.789 -6.143) 11.842 1.779 ( 8.183 6.872 3.144) 11.139 1.867 ( -2.900 6.945 7.740) 10.796 2.126 ( 4.924 -6.317 1.693) 8.186 2.394 ( 3.223 -3.887 0.182) 5.053 2.405 ( 4.300 -4.257 5.033) 7.871 2.588 ( -1.923 7.713 -1.421) 8.075 2.759 ( -3.806 4.457 -1.379) 6.022 2.841 ( -5.175 -2.727 -1.335) 6.000 3.150 ( 3.788 -0.831 2.964) 4.881 3.271 ( 0.300 3.727 -4.208) 5.629 3.462 ( -4.145 0.469 2.767) 5.006 3.656 ( -1.489 -0.627 -2.364) 2.864 4.092 ( 0.125 0.297 1.213) 1.255 4.197 ( 0.442 0.588 2.997) 3.086 4.305 ( -1.295 -0.401 -3.519) 3.772 4.604 ( 1.551 -1.904 -2.910) 3.807 4.744 ( 0.276 -0.247 0.723) 0.812 8.160 ( 2.101 -0.668 0.146) 2.209 8.624 ( 0.615 -9.743 -1.298) 9.848 8.919 ( -2.919 10.131 0.740) 10.569 9.602 ( -1.532 0.847 0.284) 1.774 10.729 ( 4.985 -2.973 1.263) 5.940 11.025 ( -2.386 3.548 0.730) 4.338 ======================= Grid point 200 (80/146) ======================= q-point: (-0.18 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 12.595 -3.120 -10.407) 16.634 1.927 ( -3.938 7.418 8.541) 11.978 1.963 ( 5.980 1.465 2.788) 6.758 2.145 ( -0.728 -5.845 1.681) 6.126 2.241 ( 2.234 -9.451 3.609) 10.361 2.524 ( -1.916 2.569 -1.330) 3.469 2.632 ( 0.830 5.465 0.958) 5.610 2.720 ( -3.945 -3.280 1.351) 5.305 2.817 ( 2.494 8.733 -1.625) 9.226 3.149 ( 1.199 -6.531 -2.270) 7.018 3.314 ( -0.845 3.498 1.325) 3.835 3.417 ( -3.054 2.884 -0.468) 4.226 3.621 ( -1.039 0.026 -1.540) 1.858 4.088 ( 0.159 -1.368 -0.243) 1.398 4.247 ( 1.586 1.347 2.958) 3.617 4.285 ( 0.234 2.510 -2.683) 3.681 4.571 ( -1.530 -2.795 -0.176) 3.192 4.737 ( -0.286 -1.851 -0.772) 2.026 8.176 ( 1.015 -2.415 0.499) 2.667 8.567 ( 3.875 -7.795 -1.335) 8.807 8.951 ( -5.109 9.421 0.564) 10.732 9.598 ( -0.548 1.804 0.153) 1.891 10.763 ( 3.426 -6.140 1.542) 7.199 11.044 ( -1.218 6.670 -0.125) 6.782 ======================= Grid point 209 (81/146) ======================= q-point: (-0.36 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 0.000 -4.077 2.597) 4.834 1.654 ( 0.000 -11.269 -2.132) 11.469 1.936 ( 0.000 7.869 6.364) 10.121 1.967 ( -0.000 1.595 0.591) 1.701 2.148 ( 0.000 3.207 4.990) 5.932 2.456 ( 0.000 -11.911 2.756) 12.225 2.617 ( -0.000 8.857 -0.264) 8.861 2.851 ( 0.000 1.878 1.204) 2.231 2.908 ( -0.000 -4.891 -3.483) 6.004 3.112 ( -0.000 6.902 0.597) 6.928 3.259 ( -0.000 1.741 -0.885) 1.953 3.544 ( 0.000 -0.161 1.631) 1.639 3.676 ( -0.000 -0.818 -3.250) 3.352 4.108 ( 0.000 0.642 4.585) 4.630 4.177 ( 0.000 0.502 1.537) 1.617 4.378 ( -0.000 -0.797 -6.943) 6.988 4.497 ( -0.000 -0.636 -0.932) 1.128 4.751 ( 0.000 -0.978 0.234) 1.006 8.119 ( -0.000 -0.527 -0.302) 0.608 8.624 ( 0.000 -10.909 -0.948) 10.950 8.965 ( -0.000 11.397 0.488) 11.408 9.638 ( 0.000 0.630 0.383) 0.737 10.636 ( 0.000 -2.123 1.604) 2.661 11.066 ( 0.000 2.357 1.301) 2.692 ======================= Grid point 210 (82/146) ======================= q-point: (-0.27 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -5.022 -14.133 -0.762) 15.019 1.651 ( 10.395 -6.149 1.548) 12.176 2.010 ( 0.962 0.673 -0.412) 1.244 2.048 ( -1.047 10.188 7.570) 12.735 2.278 ( 8.494 2.247 0.940) 8.836 2.352 ( -0.824 -8.712 5.134) 10.146 2.674 ( -1.611 5.640 -0.226) 5.869 2.830 ( -2.304 -2.393 -0.101) 3.323 2.875 ( -1.116 2.507 -1.612) 3.183 3.157 ( -2.001 3.049 1.806) 4.070 3.284 ( 1.114 4.263 -3.216) 5.455 3.531 ( -2.341 0.256 2.198) 3.221 3.649 ( -0.367 -0.588 -4.107) 4.165 4.112 ( -1.490 -0.598 2.024) 2.583 4.202 ( 1.295 -0.341 3.828) 4.055 4.320 ( -2.516 1.771 -4.222) 5.224 4.532 ( 3.785 -0.568 -2.120) 4.376 4.733 ( -0.103 -2.156 -0.366) 2.189 8.121 ( 1.401 -1.516 -0.098) 2.066 8.512 ( 0.215 -11.464 -1.100) 11.519 9.069 ( -1.843 12.717 0.240) 12.852 9.638 ( -1.223 1.264 0.361) 1.795 10.637 ( 2.816 -4.773 2.340) 6.015 11.095 ( -1.053 4.675 0.744) 4.850 ======================= Grid point 211 (83/146) ======================= q-point: (-0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 6.805 -8.450 -8.158) 13.575 1.792 ( 11.020 -6.994 2.405) 13.272 2.015 ( 3.025 -4.732 0.786) 5.671 2.163 ( -1.516 10.311 8.440) 13.411 2.206 ( -3.698 -8.432 4.214) 10.125 2.506 ( 6.893 3.659 2.391) 8.162 2.672 ( -1.387 3.065 -2.871) 4.422 2.758 ( -3.371 -3.388 0.603) 4.817 2.899 ( -1.166 8.506 -0.154) 8.587 3.104 ( -3.592 -3.056 -2.484) 5.330 3.347 ( 1.662 5.218 -0.820) 5.537 3.494 ( -3.828 0.364 0.734) 3.915 3.624 ( -0.359 0.520 -2.794) 2.864 4.082 ( -1.266 -0.999 0.394) 1.660 4.242 ( 1.623 -0.044 3.185) 3.575 4.307 ( -0.812 3.916 -2.150) 4.541 4.557 ( 0.918 -1.322 -0.194) 1.621 4.709 ( 0.368 -2.876 -1.350) 3.199 8.130 ( 1.778 -2.776 0.426) 3.324 8.424 ( 2.519 -9.710 -1.331) 10.119 9.133 ( -4.623 11.627 0.116) 12.513 9.632 ( -1.248 1.955 0.213) 2.330 10.653 ( 3.910 -6.152 2.477) 7.699 11.125 ( -1.425 5.774 -0.153) 5.950 ======================= Grid point 221 (84/146) ======================= q-point: (-0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 0.000 -16.802 8.241) 18.714 1.370 ( 0.000 -16.100 -1.417) 16.163 2.088 ( -0.000 11.128 -4.115) 11.865 2.136 ( -0.000 3.002 -3.108) 4.321 2.224 ( 0.000 1.297 7.451) 7.563 2.317 ( 0.000 -3.279 5.706) 6.581 2.737 ( -0.000 3.090 1.264) 3.339 2.800 ( -0.000 -3.241 -3.428) 4.717 2.920 ( 0.000 3.150 2.832) 4.236 3.247 ( -0.000 6.750 0.724) 6.789 3.275 ( -0.000 1.621 -3.976) 4.294 3.560 ( 0.000 0.020 1.990) 1.991 3.627 ( -0.000 0.005 -4.492) 4.492 4.135 ( 0.000 -0.471 2.505) 2.549 4.191 ( 0.000 -1.808 3.700) 4.118 4.363 ( -0.000 3.170 -1.206) 3.392 4.482 ( -0.000 0.878 -2.746) 2.883 4.704 ( 0.000 -3.271 -1.264) 3.506 8.089 ( 0.000 -2.301 -0.394) 2.335 8.398 ( 0.000 -11.356 -1.053) 11.405 9.208 ( -0.000 13.385 -0.090) 13.385 9.663 ( -0.000 1.524 0.321) 1.558 10.575 ( 0.000 -6.001 3.044) 6.729 11.152 ( -0.000 5.121 0.376) 5.134 ======================= Grid point 222 (85/146) ======================= q-point: (-0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -4.180 -15.208 -1.748) 15.869 1.462 ( 17.247 -15.881 6.007) 24.202 2.019 ( -5.447 -0.345 -1.138) 5.575 2.181 ( -1.071 -6.767 -0.264) 6.856 2.289 ( 2.377 9.598 1.753) 10.042 2.428 ( 7.419 5.509 3.298) 9.812 2.715 ( -3.206 -0.059 -2.295) 3.944 2.763 ( -1.054 -3.123 -0.434) 3.324 2.959 ( 0.193 2.950 1.090) 3.151 3.195 ( -6.848 3.634 -1.868) 7.975 3.355 ( 2.741 5.025 -0.386) 5.737 3.547 ( -2.537 -0.280 0.559) 2.613 3.622 ( 0.482 1.823 -2.188) 2.888 4.121 ( -2.511 1.104 2.370) 3.625 4.219 ( 2.510 -1.321 3.961) 4.872 4.359 ( -2.275 2.900 -1.353) 3.926 4.515 ( 2.943 0.371 -1.456) 3.304 4.664 ( 0.191 -3.852 -1.728) 4.226 8.076 ( 1.479 -3.006 -0.224) 3.357 8.297 ( 0.960 -10.231 -1.149) 10.340 9.309 ( -2.823 12.674 -0.227) 12.987 9.670 ( -0.989 1.797 0.195) 2.060 10.552 ( 2.564 -6.618 3.109) 7.748 11.193 ( -0.805 5.090 -0.349) 5.165 ======================= Grid point 233 (86/146) ======================= q-point: (-0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 0.000 -18.156 1.030) 18.185 1.046 ( 0.000 -20.398 10.851) 23.104 2.002 ( 0.000 -15.825 -3.039) 16.115 2.213 ( -0.000 3.317 -5.883) 6.754 2.266 ( -0.000 12.149 -5.450) 13.316 2.468 ( 0.000 6.048 7.230) 9.426 2.726 ( -0.000 -1.643 -2.572) 3.052 2.745 ( 0.000 -2.184 0.315) 2.207 2.979 ( -0.000 1.647 -0.377) 1.690 3.308 ( -0.000 5.543 0.893) 5.615 3.371 ( -0.000 5.742 0.538) 5.767 3.582 ( 0.000 0.411 2.161) 2.200 3.622 ( -0.000 2.661 -2.620) 3.734 4.170 ( 0.000 -4.814 4.953) 6.908 4.202 ( 0.000 4.984 2.907) 5.770 4.394 ( 0.000 -1.111 0.213) 1.131 4.483 ( -0.000 2.469 -3.741) 4.482 4.618 ( 0.000 -3.956 -1.822) 4.356 8.030 ( 0.000 -3.275 -0.786) 3.368 8.192 ( 0.000 -9.458 -1.037) 9.514 9.451 ( -0.000 12.692 -0.329) 12.696 9.695 ( -0.000 1.625 0.111) 1.628 10.481 ( 0.000 -7.129 3.263) 7.840 11.242 ( -0.000 4.418 -0.779) 4.486 ======================= Grid point 270 (87/146) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 0.000 -0.000 20.459) 20.459 0.598 ( 0.000 -0.000 20.459) 20.459 1.130 ( 0.000 -0.000 38.203) 38.203 2.542 ( -0.000 0.000 -5.888) 5.888 2.542 ( -0.000 0.000 -5.888) 5.888 2.702 ( 0.000 -0.000 0.180) 0.180 2.702 ( 0.000 -0.000 0.180) 0.180 2.836 ( 0.000 -0.000 7.371) 7.371 3.064 ( -0.000 0.000 -2.812) 2.812 3.536 ( 0.000 -0.000 0.003) 0.003 3.720 ( 0.000 -0.000 0.882) 0.882 3.720 ( 0.000 -0.000 0.882) 0.882 3.938 ( 0.000 -0.000 2.300) 2.300 3.938 ( 0.000 -0.000 2.300) 2.300 4.019 ( -0.000 0.000 -13.584) 13.584 4.537 ( -0.000 0.000 -1.173) 1.173 4.537 ( -0.000 0.000 -1.173) 1.173 4.547 ( -0.000 0.000 -2.074) 2.074 7.887 ( -0.000 0.000 -0.582) 0.582 7.887 ( -0.000 0.000 -0.582) 0.582 9.758 ( 0.000 -0.000 0.771) 0.771 9.758 ( 0.000 -0.000 0.771) 0.771 10.075 ( 0.000 -0.000 1.740) 1.740 11.674 ( -0.000 0.000 -0.493) 0.493 ======================= Grid point 271 (88/146) ======================= q-point: ( 0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 10.081 5.820 12.502) 17.082 0.978 ( 13.282 7.669 15.625) 21.894 1.395 ( 7.298 4.214 31.683) 32.784 2.369 ( -7.210 -4.163 -6.900) 10.813 2.541 ( -6.837 -3.948 1.623) 8.060 2.686 ( -1.168 -0.675 0.072) 1.351 2.691 ( -1.332 -0.769 0.147) 1.545 2.819 ( -2.022 -1.168 1.439) 2.743 3.026 ( -1.656 -0.956 -1.959) 2.738 3.520 ( -1.482 -0.856 0.007) 1.711 3.638 ( -5.742 -3.315 1.156) 6.730 3.709 ( -1.586 -0.916 1.154) 2.165 3.734 ( -8.209 -4.739 -3.755) 10.195 4.022 ( 3.014 1.740 -1.650) 3.852 4.083 ( 7.084 4.090 2.068) 8.438 4.438 ( -1.561 -0.901 0.948) 2.036 4.474 ( -2.999 -1.732 -1.439) 3.750 4.600 ( 0.185 0.107 -2.333) 2.343 7.883 ( 0.745 0.430 -0.804) 1.177 7.952 ( 4.345 2.509 0.290) 5.026 9.754 ( -0.661 -0.382 0.728) 1.055 9.806 ( -1.036 -0.598 -2.072) 2.393 10.108 ( 4.610 2.662 -0.414) 5.340 11.556 ( -7.387 -4.265 3.935) 9.393 ======================= Grid point 272 (89/146) ======================= q-point: ( 0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 21.655 12.503 1.990) 25.085 1.269 ( 8.051 4.648 5.593) 10.849 1.694 ( 8.752 5.053 21.137) 23.429 2.219 ( -3.583 -2.069 -1.019) 4.261 2.314 ( -12.783 -7.380 3.572) 15.187 2.656 ( -1.558 -0.900 -0.398) 1.843 2.657 ( -1.846 -1.066 -0.152) 2.137 2.746 ( -4.337 -2.504 -4.341) 6.627 2.999 ( -0.420 -0.243 -0.785) 0.923 3.466 ( -3.665 -2.116 -0.105) 4.233 3.546 ( -3.648 -2.106 2.742) 5.026 3.599 ( -4.315 -2.491 -0.054) 4.983 3.680 ( -1.387 -0.801 0.643) 1.726 4.085 ( 2.730 1.576 -2.208) 3.849 4.208 ( 3.443 1.988 -2.949) 4.950 4.423 ( -0.824 -0.476 2.344) 2.530 4.462 ( 2.892 1.670 -2.326) 4.070 4.565 ( -1.856 -1.072 -0.517) 2.205 7.912 ( 2.198 1.269 -0.719) 2.638 8.069 ( 6.151 3.551 1.318) 7.223 9.678 ( -8.819 -5.092 0.153) 10.185 9.736 ( -1.210 -0.698 0.490) 1.480 10.246 ( 7.794 4.500 -3.554) 9.677 11.438 ( -5.428 -3.134 3.385) 7.124 ======================= Grid point 273 (90/146) ======================= q-point: ( 0.45 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 0.641 0.370 -5.892) 5.938 1.500 ( 21.173 12.224 -0.244) 24.450 1.931 ( 5.589 3.227 3.245) 7.224 2.111 ( -5.167 -2.983 6.631) 8.920 2.245 ( 3.865 2.231 8.048) 9.203 2.585 ( -5.054 -2.918 -3.290) 6.699 2.620 ( -1.256 -0.725 -0.911) 1.713 2.638 ( -2.502 -1.445 -2.898) 4.093 2.984 ( -0.857 -0.495 -0.623) 1.170 3.357 ( -6.261 -3.615 -0.730) 7.267 3.449 ( -5.921 -3.419 0.755) 6.879 3.568 ( -0.555 -0.320 5.799) 5.834 3.656 ( -0.929 -0.536 -0.355) 1.129 4.101 ( -0.344 -0.199 -1.178) 1.243 4.201 ( -0.853 -0.493 -5.396) 5.485 4.459 ( -1.861 -1.074 -3.502) 4.109 4.466 ( 2.106 1.216 4.271) 4.915 4.587 ( 3.648 2.106 0.019) 4.213 7.968 ( 3.074 1.775 -0.384) 3.570 8.228 ( 7.955 4.593 1.502) 9.307 9.460 ( -11.214 -6.474 0.503) 12.958 9.708 ( -1.459 -0.843 0.135) 1.691 10.394 ( 7.457 4.305 -3.647) 9.351 11.341 ( -4.699 -2.713 1.538) 5.640 ======================= Grid point 274 (91/146) ======================= q-point: ( 0.55 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 0.827 0.478 -6.695) 6.763 1.852 ( 6.273 3.622 -3.470) 8.032 1.979 ( 8.495 4.904 -0.864) 9.847 2.182 ( 4.350 2.511 -0.173) 5.026 2.360 ( 1.047 0.605 4.465) 4.625 2.471 ( -2.381 -1.375 -3.314) 4.306 2.587 ( -1.767 -1.020 -1.190) 2.362 2.628 ( 3.187 1.840 2.660) 4.541 2.950 ( -2.186 -1.262 -0.490) 2.571 3.198 ( -7.508 -4.335 -1.515) 8.801 3.322 ( -5.689 -3.284 0.681) 6.604 3.586 ( -1.052 -0.608 6.625) 6.736 3.636 ( -0.623 -0.359 -1.233) 1.428 4.090 ( 0.127 0.073 1.525) 1.532 4.166 ( -0.147 -0.085 -3.229) 3.233 4.395 ( -2.259 -1.304 -4.289) 5.020 4.516 ( 0.792 0.457 2.364) 2.535 4.660 ( 2.367 1.367 1.090) 2.942 8.033 ( 2.888 1.667 0.072) 3.336 8.422 ( 9.297 5.367 1.209) 10.803 9.210 ( -11.885 -6.862 0.143) 13.724 9.678 ( -1.242 -0.717 -0.228) 1.452 10.531 ( 6.455 3.727 -2.789) 7.958 11.248 ( -4.193 -2.421 -0.313) 4.852 ======================= Grid point 275 (92/146) ======================= q-point: ( 0.64 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 4.924 2.843 -1.572) 5.899 1.892 ( 2.977 1.719 -7.742) 8.471 2.033 ( -6.064 -3.501 0.626) 7.030 2.291 ( -6.344 -3.663 -4.768) 8.741 2.334 ( 9.883 5.706 -8.718) 14.361 2.466 ( 2.157 1.245 -0.570) 2.555 2.564 ( 0.245 0.142 0.594) 0.658 2.759 ( 4.084 2.358 6.971) 8.416 2.888 ( -2.956 -1.707 0.232) 3.421 3.060 ( -3.038 -1.754 -1.334) 3.753 3.232 ( -2.680 -1.547 0.983) 3.246 3.575 ( -2.261 -1.305 5.320) 5.926 3.618 ( -0.407 -0.235 -1.788) 1.849 4.138 ( 2.698 1.558 3.731) 4.860 4.171 ( 1.510 0.872 -1.160) 2.094 4.324 ( -1.971 -1.138 -5.325) 5.791 4.519 ( -1.103 -0.637 0.606) 1.410 4.695 ( 0.144 0.083 2.671) 2.676 8.085 ( 1.580 0.912 0.516) 1.896 8.622 ( 7.422 4.285 1.023) 8.631 8.970 ( -8.853 -5.111 -0.432) 10.232 9.657 ( -0.531 -0.307 -0.489) 0.785 10.638 ( 4.034 2.329 -1.528) 4.902 11.165 ( -2.710 -1.565 -2.001) 3.715 ======================= Grid point 276 (93/146) ======================= q-point: (-0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 4.466 2.578 1.532) 5.379 1.750 ( -11.922 -6.883 -8.270) 16.059 2.015 ( 3.937 2.273 -0.142) 4.548 2.092 ( -7.485 -4.321 -7.513) 11.452 2.361 ( -0.372 -0.215 -7.993) 8.005 2.485 ( -3.491 -2.015 -0.145) 4.033 2.653 ( 7.027 4.057 -1.730) 8.296 2.789 ( -2.673 -1.544 4.919) 5.808 2.870 ( 1.457 0.841 1.636) 2.346 3.108 ( 6.080 3.510 0.508) 7.038 3.210 ( -0.212 -0.122 1.559) 1.578 3.557 ( -1.169 -0.675 4.436) 4.637 3.602 ( -0.219 -0.126 -2.077) 2.092 4.177 ( -1.824 -1.053 3.651) 4.215 4.214 ( 2.515 1.452 -0.685) 2.984 4.311 ( 4.021 2.322 -5.911) 7.517 4.480 ( -2.392 -1.381 0.110) 2.764 4.695 ( -1.377 -0.795 3.606) 3.941 8.102 ( -0.322 -0.186 0.836) 0.915 8.600 ( -9.032 -5.215 0.603) 10.447 8.977 ( 8.948 5.166 -0.286) 10.336 9.653 ( 0.414 0.239 -0.564) 0.740 10.673 ( -0.570 -0.329 -0.793) 1.030 11.129 ( 0.671 0.387 -2.753) 2.859 ======================= Grid point 277 (94/146) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -15.562 -8.984 -6.996) 19.283 1.420 ( -11.075 -6.394 -6.865) 14.515 2.047 ( 6.114 3.530 1.363) 7.191 2.090 ( 1.606 0.927 3.274) 3.763 2.285 ( -6.273 -3.622 -1.553) 7.408 2.412 ( 1.529 0.883 -7.723) 7.923 2.749 ( 2.000 1.155 0.020) 2.309 2.751 ( -2.260 -1.305 3.584) 4.433 2.935 ( 2.687 1.551 1.212) 3.331 3.233 ( 1.926 1.112 1.203) 2.529 3.250 ( 6.288 3.631 0.186) 7.264 3.572 ( 0.863 0.498 3.484) 3.624 3.589 ( -0.016 -0.009 -2.201) 2.201 4.155 ( 0.276 0.160 0.038) 0.322 4.243 ( 0.003 0.002 -3.585) 3.585 4.379 ( 3.130 1.807 -3.561) 5.074 4.443 ( -0.634 -0.366 2.686) 2.784 4.670 ( -2.488 -1.437 3.431) 4.475 8.080 ( -1.989 -1.148 0.942) 2.482 8.386 ( -9.974 -5.758 0.608) 11.533 9.207 ( 11.343 6.549 0.077) 13.098 9.668 ( 1.154 0.666 -0.423) 1.398 10.609 ( -4.457 -2.573 -1.655) 5.406 11.165 ( 3.274 1.890 -1.563) 4.091 ======================= Grid point 282 (95/146) ======================= q-point: ( 0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 0.000 -6.487 17.746) 18.895 1.005 ( 0.000 7.961 19.612) 21.166 1.580 ( 0.000 11.697 24.943) 27.550 2.390 ( -0.000 -1.822 -7.773) 7.984 2.584 ( -0.000 3.032 -4.085) 5.087 2.679 ( 0.000 -2.934 -0.055) 2.935 2.697 ( 0.000 -0.631 0.065) 0.634 2.798 ( 0.000 -10.614 8.061) 13.328 3.016 ( -0.000 -1.920 -2.295) 2.993 3.519 ( 0.000 -1.945 0.005) 1.945 3.616 ( 0.000 -12.095 -0.481) 12.104 3.651 ( 0.000 -5.705 1.082) 5.807 3.793 ( 0.000 -3.488 -1.047) 3.642 3.942 ( -0.000 2.119 0.731) 2.241 4.117 ( -0.000 6.375 -1.234) 6.493 4.439 ( -0.000 -1.014 -1.695) 1.975 4.508 ( -0.000 -2.384 -2.607) 3.532 4.563 ( -0.000 1.247 -0.445) 1.324 7.914 ( -0.000 2.442 -0.614) 2.518 7.935 ( -0.000 5.654 -0.487) 5.675 9.757 ( 0.000 -0.916 0.748) 1.182 9.796 ( -0.000 -0.994 -1.520) 1.816 10.105 ( -0.000 3.511 0.300) 3.523 11.568 ( 0.000 -8.352 2.943) 8.855 ======================= Grid point 283 (96/146) ======================= q-point: ( 0.36 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 19.157 3.970 8.140) 21.190 1.217 ( 6.588 4.801 14.446) 16.588 1.758 ( 0.122 4.995 13.563) 14.454 2.315 ( -4.547 3.848 -2.447) 6.440 2.449 ( -11.019 -8.092 2.911) 13.977 2.659 ( -1.252 -2.110 -0.375) 2.481 2.690 ( -1.727 0.086 0.490) 1.797 2.732 ( 0.083 -5.313 -1.795) 5.609 2.985 ( 0.359 -1.757 -2.507) 3.082 3.473 ( -1.991 -5.503 0.185) 5.855 3.546 ( 1.745 -6.608 2.273) 7.202 3.587 ( -2.173 -2.912 2.024) 4.159 3.740 ( -2.903 -0.524 0.796) 3.056 4.019 ( 4.821 1.115 -0.636) 4.989 4.161 ( 2.007 1.108 -3.232) 3.962 4.429 ( 0.567 0.868 -2.189) 2.422 4.470 ( -1.611 2.361 -0.535) 2.908 4.573 ( -0.429 -0.456 -0.748) 0.975 7.924 ( -0.622 3.759 -0.776) 3.889 8.032 ( 3.980 5.699 0.653) 6.981 9.725 ( -4.069 -7.067 -0.189) 8.157 9.743 ( -0.647 -1.436 0.565) 1.673 10.184 ( 4.261 6.309 -2.260) 7.942 11.478 ( -3.106 -6.734 3.031) 8.011 ======================= Grid point 284 (97/146) ======================= q-point: ( 0.45 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 21.412 7.546 0.489) 22.708 1.389 ( 3.331 8.507 1.207) 9.215 1.821 ( 3.808 -5.116 8.142) 10.342 2.196 ( -8.923 -7.247 1.264) 11.564 2.337 ( -1.859 5.417 5.551) 7.976 2.594 ( -3.623 -3.688 -3.427) 6.203 2.618 ( -2.002 -2.634 -0.761) 3.395 2.700 ( -2.350 2.968 -1.950) 4.259 2.973 ( 0.926 -1.191 -2.825) 3.203 3.360 ( -3.334 -8.887 0.207) 9.494 3.506 ( -2.965 -2.888 1.375) 4.362 3.578 ( 0.650 -1.440 5.387) 5.614 3.699 ( -2.931 0.634 1.656) 3.425 4.074 ( 1.967 -0.598 -0.843) 2.222 4.178 ( 1.496 0.208 -3.807) 4.096 4.447 ( 0.653 -0.184 -0.749) 1.011 4.484 ( -0.447 2.451 -0.763) 2.606 4.563 ( 1.171 1.729 -0.885) 2.268 7.961 ( 1.018 3.959 -0.518) 4.120 8.171 ( 5.803 5.990 1.334) 8.446 9.548 ( -8.037 -9.015 0.468) 12.086 9.716 ( -1.012 -1.880 0.244) 2.149 10.318 ( 6.065 6.410 -3.271) 9.411 11.378 ( -3.538 -5.541 1.771) 6.809 ======================= Grid point 285 (98/146) ======================= q-point: ( 0.55 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( -3.066 10.130 -6.289) 12.311 1.717 ( 16.576 9.909 -0.416) 19.317 1.858 ( 6.084 -3.991 -4.223) 8.413 2.102 ( 2.109 -5.842 8.992) 10.928 2.330 ( -0.928 -6.589 1.026) 6.732 2.504 ( -2.782 0.856 -4.715) 5.541 2.571 ( -1.320 -1.500 -1.453) 2.470 2.702 ( -1.697 5.871 1.764) 6.361 2.961 ( 0.074 -0.034 -2.909) 2.910 3.210 ( -4.391 -9.357 -0.127) 10.337 3.415 ( -6.293 -1.610 1.242) 6.614 3.593 ( 0.846 -2.581 2.762) 3.874 3.673 ( -2.808 0.821 3.187) 4.326 4.094 ( 0.864 0.420 2.756) 2.918 4.171 ( -1.116 1.386 -3.161) 3.627 4.408 ( -2.291 -0.662 -4.100) 4.743 4.503 ( 1.070 -0.658 2.372) 2.684 4.633 ( 3.563 3.007 -0.924) 4.752 8.020 ( 1.889 3.694 -0.084) 4.150 8.342 ( 7.578 6.141 1.268) 9.835 9.315 ( -10.034 -9.203 0.281) 13.618 9.681 ( -0.928 -2.067 -0.121) 2.269 10.462 ( 6.099 6.134 -2.871) 9.114 11.276 ( -3.572 -4.983 0.129) 6.133 ======================= Grid point 286 (99/146) ======================= q-point: ( 0.64 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -2.288 14.167 -3.589) 14.793 1.793 ( 3.327 -3.104 -7.685) 8.931 2.053 ( -3.782 -8.931 1.139) 9.765 2.137 ( 15.242 6.913 -4.608) 17.359 2.311 ( 3.156 -3.994 3.311) 6.073 2.454 ( -0.639 1.726 -5.718) 6.007 2.535 ( 0.111 -2.061 -0.174) 2.071 2.753 ( 0.490 1.018 3.825) 3.988 2.954 ( -2.243 3.898 -1.855) 4.865 3.066 ( -2.349 -6.291 -0.696) 6.752 3.298 ( -6.463 -1.393 1.399) 6.758 3.586 ( 0.779 -2.749 0.197) 2.864 3.640 ( -3.068 -0.744 3.237) 4.521 4.134 ( 0.745 1.158 2.673) 3.007 4.163 ( 0.287 1.656 0.232) 1.696 4.345 ( -2.730 0.428 -5.010) 5.721 4.516 ( 0.421 -1.334 1.809) 2.286 4.698 ( 1.617 1.517 0.927) 2.403 8.081 ( 1.432 3.017 0.327) 3.355 8.536 ( 8.604 5.624 1.002) 10.328 9.066 ( -10.159 -8.206 -0.192) 13.060 9.650 ( -0.313 -1.865 -0.422) 1.938 10.596 ( 4.729 5.555 -1.850) 7.526 11.174 ( -2.921 -4.364 -1.475) 5.454 ======================= Grid point 287 (100/146) ======================= q-point: (-0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -1.082 9.284 -0.536) 9.362 1.713 ( -2.121 -10.600 -6.512) 12.620 1.972 ( 3.064 0.871 -2.505) 4.053 2.201 ( -6.199 -0.250 -4.622) 7.736 2.345 ( -0.613 4.604 -7.315) 8.665 2.517 ( 1.355 1.678 1.273) 2.505 2.540 ( 5.443 -1.435 -0.478) 5.649 2.765 ( 4.242 -4.600 2.818) 6.863 2.892 ( -4.892 -1.331 0.494) 5.094 3.092 ( 3.467 6.478 -0.912) 7.404 3.215 ( -2.131 -2.377 2.153) 3.850 3.573 ( 0.748 -2.495 -0.697) 2.696 3.602 ( -2.105 -0.836 3.108) 3.845 4.158 ( 1.744 -0.927 -2.298) 3.030 4.202 ( 1.159 -0.270 5.619) 5.743 4.292 ( -1.496 2.230 -5.882) 6.466 4.512 ( -1.334 0.748 1.556) 2.182 4.722 ( -0.459 0.032 2.447) 2.490 8.118 ( -0.165 1.987 0.567) 2.073 8.666 ( -1.651 -1.492 1.155) 2.508 8.904 ( 1.554 -0.362 -0.772) 1.772 9.636 ( 0.682 -1.286 -0.559) 1.559 10.683 ( 0.784 3.663 -0.904) 3.854 11.102 ( -0.181 -2.592 -2.569) 3.654 ======================= Grid point 288 (101/146) ======================= q-point: (-0.18 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -9.068 -15.915 -4.067) 18.763 1.672 ( -6.553 7.260 -1.079) 9.839 2.014 ( -2.697 0.309 -0.907) 2.862 2.131 ( 3.207 7.381 -4.299) 9.124 2.311 ( -3.560 0.856 -3.540) 5.093 2.422 ( -4.588 -0.347 -5.145) 6.903 2.667 ( 5.924 -1.118 1.256) 6.158 2.813 ( -3.013 -0.642 1.434) 3.398 2.868 ( 7.147 -0.243 0.312) 7.158 3.163 ( 1.333 -2.177 1.304) 2.867 3.246 ( 3.946 4.591 1.419) 6.218 3.558 ( 0.745 -2.404 -0.774) 2.633 3.593 ( -0.266 0.237 2.916) 2.938 4.134 ( -0.209 -3.160 -0.641) 3.231 4.246 ( 0.007 1.777 -0.457) 1.834 4.294 ( 3.797 -0.563 -2.757) 4.726 4.508 ( -2.229 3.342 1.370) 4.244 4.710 ( -1.958 -0.982 2.788) 3.545 8.116 ( -2.054 0.829 0.542) 2.280 8.499 ( -10.033 -5.682 0.781) 11.557 9.072 ( 11.541 4.633 -0.163) 12.437 9.644 ( 1.613 -0.547 -0.474) 1.768 10.665 ( -4.526 0.390 -1.545) 4.799 11.112 ( 3.698 0.492 -1.744) 4.118 ======================= Grid point 294 (102/146) ======================= q-point: ( 0.36 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 0.000 3.445 10.761) 11.299 1.292 ( 0.000 5.526 16.602) 17.498 1.844 ( 0.000 2.493 3.670) 4.436 2.349 ( -0.000 -0.872 -2.970) 3.095 2.555 ( 0.000 -4.210 -0.257) 4.218 2.564 ( 0.000 -9.238 4.607) 10.323 2.694 ( 0.000 -3.457 0.046) 3.457 2.710 ( -0.000 3.195 -1.737) 3.637 2.934 ( -0.000 -3.564 -4.177) 5.491 3.447 ( 0.000 -5.846 -0.117) 5.847 3.496 ( 0.000 -3.741 6.383) 7.399 3.578 ( 0.000 -2.811 1.078) 3.011 3.753 ( 0.000 -1.673 2.176) 2.744 3.998 ( -0.000 3.194 -0.209) 3.201 4.129 ( -0.000 -1.197 -3.180) 3.398 4.419 ( -0.000 1.595 -4.100) 4.399 4.505 ( -0.000 2.668 -0.899) 2.815 4.575 ( 0.000 0.174 0.119) 0.210 7.962 ( -0.000 3.327 -1.003) 3.475 8.067 ( -0.000 8.219 0.496) 8.234 9.680 ( 0.000 -9.527 0.108) 9.528 9.736 ( 0.000 -1.826 0.498) 1.893 10.203 ( -0.000 7.300 -2.220) 7.630 11.445 ( 0.000 -7.832 2.623) 8.259 ======================= Grid point 295 (103/146) ======================= q-point: ( 0.45 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 19.441 7.076 4.815) 21.242 1.438 ( 2.586 6.711 10.254) 12.524 1.835 ( -3.233 0.645 0.980) 3.439 2.242 ( -5.733 -8.633 -2.841) 10.746 2.412 ( -4.416 -4.908 5.034) 8.303 2.577 ( 1.675 -6.586 -0.751) 6.837 2.635 ( -3.727 1.137 -3.079) 4.966 2.743 ( 0.083 4.064 -1.332) 4.277 2.905 ( 2.218 -2.773 -3.522) 5.001 3.342 ( -3.936 -7.707 0.737) 8.685 3.508 ( 0.595 -2.841 3.355) 4.437 3.568 ( 0.679 -2.650 2.238) 3.534 3.750 ( -1.335 0.032 4.042) 4.257 4.045 ( 1.903 2.172 0.481) 2.928 4.129 ( 2.384 -0.058 -1.299) 2.716 4.424 ( 1.085 0.601 -3.646) 3.851 4.520 ( -0.996 3.715 -1.676) 4.195 4.568 ( -0.569 0.259 -0.266) 0.679 7.989 ( 0.125 3.945 -1.056) 4.085 8.173 ( 2.699 8.239 1.050) 8.733 9.551 ( -3.846 -11.351 0.376) 11.991 9.712 ( -0.824 -2.217 0.312) 2.386 10.293 ( 3.402 7.709 -2.587) 8.815 11.368 ( -1.730 -7.395 1.868) 7.821 ======================= Grid point 296 (104/146) ======================= q-point: ( 0.55 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 18.845 7.821 1.664) 20.471 1.594 ( 4.909 11.509 -0.355) 12.517 1.778 ( -3.197 -2.149 -0.954) 3.968 2.101 ( -2.407 -4.295 4.909) 6.953 2.288 ( -3.592 -10.721 0.735) 11.330 2.523 ( -1.448 -1.651 -4.756) 5.239 2.581 ( -2.532 0.203 -2.778) 3.765 2.772 ( -0.699 3.850 0.488) 3.943 2.913 ( 2.759 -1.082 -2.586) 3.933 3.203 ( -4.498 -7.812 0.617) 9.035 3.482 ( -2.866 -1.795 2.072) 3.966 3.552 ( 0.943 -4.715 0.759) 4.868 3.735 ( -2.408 -0.644 3.422) 4.234 4.107 ( 1.435 2.577 5.036) 5.836 4.169 ( 1.803 0.703 -1.388) 2.381 4.404 ( -1.057 -2.136 -2.814) 3.687 4.522 ( -1.563 2.644 0.152) 3.076 4.597 ( 3.101 3.189 -2.721) 5.215 8.033 ( 1.137 4.180 -0.701) 4.388 8.313 ( 4.606 7.825 1.221) 9.161 9.357 ( -6.748 -11.591 0.249) 13.414 9.674 ( -1.111 -2.525 0.061) 2.759 10.424 ( 5.042 7.729 -2.348) 9.523 11.272 ( -2.594 -6.812 0.748) 7.328 ======================= Grid point 297 (105/146) ======================= q-point: ( 0.64 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 0.129 13.588 -2.577) 13.831 1.693 ( -1.565 -1.454 -4.891) 5.337 1.880 ( 15.128 2.281 -3.402) 15.672 2.068 ( -0.545 -2.096 2.293) 3.154 2.209 ( 4.196 -5.957 8.166) 10.944 2.454 ( -1.958 0.837 -8.142) 8.416 2.538 ( -1.210 -0.210 -1.670) 2.073 2.780 ( -1.615 -0.778 1.543) 2.365 2.963 ( 3.732 3.147 -1.526) 5.115 3.061 ( -4.816 -6.317 0.015) 7.943 3.398 ( -6.247 -1.743 1.841) 6.742 3.529 ( 1.747 -4.726 -0.684) 5.085 3.693 ( -2.905 -1.729 2.391) 4.141 4.159 ( -0.950 0.672 2.309) 2.586 4.180 ( 0.428 0.583 1.942) 2.073 4.348 ( -1.080 -1.744 -3.591) 4.136 4.531 ( -1.050 2.993 1.967) 3.732 4.674 ( 3.510 2.548 -1.720) 4.666 8.092 ( 1.488 3.929 -0.193) 4.206 8.476 ( 6.285 6.998 0.999) 9.459 9.129 ( -8.249 -10.600 -0.085) 13.432 9.635 ( -0.705 -2.505 -0.201) 2.610 10.571 ( 5.075 7.661 -1.609) 9.329 11.166 ( -2.865 -6.271 -0.478) 6.911 ======================= Grid point 298 (106/146) ======================= q-point: (-0.27 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -4.353 -8.344 -3.658) 10.097 1.708 ( -1.065 15.199 -4.305) 15.833 1.902 ( 2.049 -1.554 -3.338) 4.214 2.215 ( 1.125 0.573 -0.211) 1.280 2.303 ( 11.217 0.600 3.340) 11.719 2.455 ( 1.999 3.947 -4.220) 6.115 2.532 ( 0.536 1.988 0.035) 2.059 2.708 ( -2.847 -6.267 0.877) 6.939 2.936 ( -3.586 -5.278 -0.269) 6.387 3.078 ( 4.737 7.034 -0.966) 8.535 3.280 ( -6.701 -1.968 1.758) 7.202 3.512 ( 1.917 -4.332 -1.624) 5.007 3.642 ( -2.357 -1.742 2.510) 3.859 4.137 ( -0.955 0.443 -2.499) 2.712 4.202 ( 0.832 -1.826 3.874) 4.363 4.305 ( -1.394 -0.400 -3.016) 3.347 4.558 ( -0.982 3.186 2.783) 4.342 4.727 ( 1.268 0.996 0.295) 1.639 8.144 ( 0.463 3.212 0.138) 3.248 8.642 ( 5.519 4.428 1.093) 7.160 8.912 ( -6.204 -7.430 -0.667) 9.702 9.608 ( 0.312 -1.983 -0.380) 2.043 10.703 ( 2.746 7.029 -0.703) 7.579 11.067 ( -1.506 -5.316 -1.614) 5.756 ======================= Grid point 299 (107/146) ======================= q-point: (-0.18 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -9.799 -7.870 1.340) 12.639 1.815 ( -1.864 12.202 -1.922) 12.493 1.970 ( 8.070 2.336 -6.463) 10.600 2.159 ( -5.070 -0.066 -3.197) 5.994 2.391 ( -5.124 -2.609 0.682) 5.790 2.482 ( -3.010 4.380 -5.419) 7.590 2.564 ( 6.513 0.580 2.001) 6.838 2.729 ( 8.661 -0.439 2.044) 8.910 2.839 ( -2.536 -4.278 -0.686) 5.020 3.174 ( -4.381 -1.935 0.991) 4.891 3.224 ( 4.971 5.782 0.900) 7.678 3.497 ( 2.190 -3.927 -2.008) 4.924 3.616 ( -0.825 -0.929 3.070) 3.312 4.113 ( -0.713 -1.323 -1.638) 2.223 4.229 ( 2.762 -0.053 0.993) 2.936 4.269 ( -1.407 0.247 -1.330) 1.952 4.572 ( -1.662 1.896 1.723) 3.054 4.737 ( -0.885 -0.271 1.519) 1.779 8.161 ( -1.520 1.909 0.056) 2.441 8.607 ( -8.554 -4.411 1.149) 9.693 8.929 ( 9.664 2.375 -0.645) 9.973 9.607 ( 1.525 -1.045 -0.387) 1.888 10.745 ( -3.900 3.209 -0.933) 5.136 11.040 ( 3.754 -1.328 -1.461) 4.242 ======================= Grid point 306 (108/146) ======================= q-point: ( 0.45 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -0.000 10.080 4.711) 11.127 1.529 ( 0.000 5.769 12.016) 13.329 1.884 ( -0.000 4.005 -3.898) 5.588 2.190 ( 0.000 -8.729 -2.675) 9.130 2.440 ( 0.000 -10.165 2.624) 10.498 2.441 ( 0.000 -8.526 2.415) 8.861 2.677 ( -0.000 2.002 -2.565) 3.253 2.773 ( -0.000 5.301 -2.415) 5.826 2.855 ( -0.000 -1.440 -1.500) 2.079 3.315 ( 0.000 -7.502 -0.694) 7.534 3.463 ( 0.000 -5.806 2.540) 6.337 3.554 ( 0.000 -1.209 1.353) 1.815 3.779 ( 0.000 -0.586 3.907) 3.951 4.052 ( -0.000 2.990 -0.509) 3.033 4.117 ( 0.000 1.071 2.951) 3.139 4.399 ( -0.000 0.755 -4.983) 5.040 4.561 ( -0.000 4.816 -1.936) 5.191 4.572 ( 0.000 -0.808 0.465) 0.932 8.016 ( -0.000 3.568 -1.291) 3.794 8.241 ( -0.000 9.571 0.859) 9.610 9.468 ( 0.000 -13.001 0.295) 13.005 9.701 ( 0.000 -2.273 0.292) 2.292 10.329 ( -0.000 8.270 -2.003) 8.509 11.318 ( 0.000 -7.866 1.759) 8.061 ======================= Grid point 307 (109/146) ======================= q-point: ( 0.55 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 16.185 9.840 2.521) 19.109 1.637 ( 1.191 3.089 7.709) 8.390 1.863 ( -4.235 6.251 -7.094) 10.360 2.123 ( -1.005 -1.494 4.658) 4.994 2.260 ( -5.624 -12.074 1.923) 13.458 2.445 ( 4.088 -7.112 -0.224) 8.206 2.641 ( -4.340 2.107 -4.384) 6.519 2.808 ( -0.436 2.793 -0.815) 2.942 2.864 ( 2.116 0.975 -0.292) 2.348 3.203 ( -3.727 -7.342 -0.447) 8.246 3.444 ( 2.949 -6.185 0.588) 6.877 3.536 ( -1.812 -1.586 1.634) 2.910 3.766 ( -1.473 -2.005 1.721) 3.025 4.108 ( 3.243 2.062 0.431) 3.867 4.148 ( 0.733 -0.247 4.433) 4.500 4.388 ( -0.196 0.376 -4.322) 4.343 4.570 ( 0.864 0.500 -0.155) 1.010 4.591 ( -1.269 5.352 -1.586) 5.724 8.050 ( 0.802 3.599 -1.138) 3.859 8.350 ( 1.683 9.731 0.860) 9.913 9.318 ( -3.034 -13.490 0.140) 13.828 9.671 ( -1.074 -2.279 0.228) 2.530 10.425 ( 2.957 8.360 -1.483) 8.991 11.241 ( -1.362 -7.520 1.357) 7.762 ======================= Grid point 308 (110/146) ======================= q-point: ( 0.64 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 14.724 3.960 3.154) 15.570 1.652 ( 3.251 -1.047 -2.500) 4.232 1.880 ( -3.795 9.976 -2.670) 11.002 2.069 ( -2.512 -4.584 1.525) 5.445 2.184 ( 0.710 1.666 8.274) 8.469 2.434 ( 1.381 -2.681 -4.037) 5.039 2.562 ( -3.725 1.631 -4.490) 6.058 2.795 ( -1.431 -2.253 0.491) 2.714 2.931 ( 2.995 3.225 0.949) 4.502 3.075 ( -3.745 -5.393 -1.098) 6.657 3.435 ( 2.965 -6.336 -0.597) 7.021 3.478 ( -4.402 -1.719 2.227) 5.225 3.721 ( -2.082 -2.327 0.577) 3.175 4.150 ( 1.906 -2.294 -0.300) 2.998 4.186 ( 0.740 -0.431 5.057) 5.129 4.346 ( -2.052 -0.751 -2.836) 3.581 4.607 ( -1.280 4.364 -1.463) 4.777 4.626 ( 3.271 3.586 -0.514) 4.881 8.099 ( 1.701 3.481 -0.656) 3.930 8.480 ( 2.967 9.086 0.709) 9.585 9.128 ( -5.098 -12.631 -0.051) 13.621 9.630 ( -1.428 -2.142 0.116) 2.577 10.560 ( 4.644 8.250 -0.938) 9.513 11.148 ( -2.424 -6.883 0.731) 7.334 ======================= Grid point 309 (111/146) ======================= q-point: ( 0.73 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 0.343 0.456 -1.161) 1.294 1.742 ( -2.056 -8.482 -3.198) 9.295 1.916 ( 8.000 9.935 1.903) 12.897 2.173 ( 5.224 10.771 -0.105) 11.972 2.210 ( -1.297 -2.448 3.850) 4.743 2.446 ( 2.580 4.447 -3.102) 6.005 2.542 ( 0.656 2.460 -1.356) 2.885 2.713 ( -4.031 -6.711 0.224) 7.832 2.926 ( -2.974 -6.978 1.626) 7.757 3.072 ( 3.704 7.284 -1.610) 8.329 3.378 ( -5.068 -2.954 1.093) 5.967 3.424 ( 1.313 -4.672 -0.349) 4.865 3.666 ( -2.079 -2.206 0.456) 3.065 4.147 ( 0.304 -2.076 -0.461) 2.148 4.183 ( -0.806 -1.248 1.778) 2.317 4.309 ( -0.773 -0.482 -0.894) 1.277 4.617 ( -1.159 2.303 0.311) 2.597 4.708 ( 2.611 2.873 -0.441) 3.907 8.157 ( 1.613 3.013 -0.163) 3.421 8.619 ( 4.108 7.466 0.491) 8.536 8.928 ( -5.875 -10.433 -0.229) 11.976 9.593 ( -0.785 -1.629 -0.038) 1.809 10.712 ( 4.754 8.152 -0.399) 9.445 11.043 ( -2.931 -6.326 -0.050) 6.972 ======================= Grid point 310 (112/146) ======================= q-point: (-0.18 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -8.888 1.498 6.403) 11.056 1.738 ( 11.140 0.472 -8.951) 14.298 2.030 ( -6.782 10.947 -4.615) 13.680 2.184 ( 1.900 -2.965 2.890) 4.555 2.363 ( 6.814 1.265 1.682) 7.132 2.484 ( -2.428 -4.217 0.445) 4.886 2.574 ( -2.093 2.353 -2.926) 4.299 2.641 ( 5.615 4.583 1.776) 7.463 2.819 ( -2.388 -6.130 -0.937) 6.645 3.208 ( 4.082 5.832 0.727) 7.156 3.267 ( -6.553 -0.119 0.881) 6.613 3.402 ( 2.691 -5.527 -1.739) 6.388 3.627 ( -0.836 -1.522 1.095) 2.052 4.116 ( -1.292 -0.711 -1.199) 1.900 4.197 ( 2.041 1.094 0.144) 2.320 4.288 ( -1.117 -0.783 0.406) 1.423 4.609 ( -1.306 -0.611 0.955) 1.730 4.748 ( 0.267 0.731 0.360) 0.857 8.194 ( -0.191 1.754 -0.080) 1.766 8.704 ( -5.502 -0.269 1.487) 5.706 8.805 ( 5.469 -1.620 -1.260) 5.842 9.579 ( 0.569 -0.639 -0.150) 0.869 10.834 ( -1.096 6.643 -0.135) 6.735 10.958 ( 1.819 -4.542 -0.736) 4.948 ======================= Grid point 318 (113/146) ======================= q-point: ( 0.55 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -0.000 12.857 0.871) 12.886 1.675 ( 0.000 -0.502 4.752) 4.778 1.930 ( -0.000 6.744 -1.690) 6.953 2.169 ( 0.000 5.325 5.046) 7.336 2.248 ( 0.000 -10.329 -0.264) 10.333 2.290 ( 0.000 -10.898 4.557) 11.813 2.677 ( -0.000 0.485 -3.006) 3.045 2.839 ( 0.000 -0.949 1.535) 1.805 2.861 ( -0.000 6.601 -2.778) 7.161 3.161 ( 0.000 -7.800 -1.320) 7.911 3.354 ( 0.000 -6.123 0.038) 6.123 3.551 ( 0.000 -0.699 1.751) 1.886 3.759 ( 0.000 -2.832 0.110) 2.834 4.101 ( -0.000 2.681 -0.290) 2.697 4.146 ( 0.000 -2.995 4.217) 5.172 4.383 ( -0.000 2.785 -6.166) 6.766 4.554 ( 0.000 -1.540 0.513) 1.623 4.654 ( -0.000 5.612 0.162) 5.614 8.068 ( -0.000 3.091 -1.164) 3.303 8.438 ( -0.000 10.813 0.515) 10.825 9.211 ( 0.000 -14.260 0.047) 14.260 9.663 ( 0.000 -1.884 0.322) 1.912 10.473 ( -0.000 8.175 -0.656) 8.201 11.190 ( 0.000 -7.194 1.741) 7.401 ======================= Grid point 319 (114/146) ======================= q-point: ( 0.64 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 12.223 10.595 0.771) 16.194 1.653 ( -3.337 -0.863 1.098) 3.617 1.972 ( -4.019 -3.018 4.114) 6.495 2.087 ( -1.371 -0.613 3.022) 3.375 2.268 ( 0.418 6.955 4.087) 8.078 2.312 ( 6.259 -4.928 1.465) 8.100 2.629 ( -3.826 0.529 -4.140) 5.662 2.806 ( -2.762 -1.862 0.571) 3.380 2.933 ( 1.991 5.290 -0.854) 5.717 3.066 ( -1.935 -6.020 -0.970) 6.397 3.324 ( 2.460 -5.766 -0.587) 6.297 3.533 ( -2.510 -0.872 2.239) 3.474 3.722 ( -0.982 -2.638 -1.094) 3.020 4.110 ( -0.045 -1.520 0.963) 1.800 4.174 ( 2.667 -0.209 3.799) 4.647 4.360 ( -1.776 0.442 -5.401) 5.703 4.563 ( 2.679 0.050 -2.109) 3.410 4.694 ( -1.068 4.560 1.112) 4.813 8.100 ( 1.218 2.604 -0.844) 2.996 8.548 ( 0.719 10.665 0.227) 10.692 9.062 ( -2.111 -13.483 0.028) 13.647 9.638 ( -1.293 -1.434 0.366) 1.965 10.569 ( 2.909 7.385 -0.115) 7.938 11.124 ( -1.464 -6.138 1.790) 6.559 ======================= Grid point 320 (115/146) ======================= q-point: (-0.27 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -2.701 -3.604 -0.881) 4.589 1.649 ( 10.732 4.221 3.479) 12.045 1.857 ( -0.657 -1.806 3.456) 3.954 2.185 ( 3.073 2.446 3.602) 5.329 2.329 ( -0.905 7.405 -0.408) 7.472 2.408 ( 3.778 3.822 2.252) 5.826 2.559 ( -1.912 1.033 -3.315) 3.964 2.717 ( -4.420 -4.607 -0.659) 6.418 2.927 ( -3.090 -5.334 0.943) 6.236 3.076 ( 3.463 6.704 -0.416) 7.558 3.302 ( 2.041 -6.210 -1.556) 6.720 3.480 ( -4.378 -0.762 2.777) 5.241 3.672 ( -1.465 -2.181 -1.630) 3.092 4.108 ( 1.013 -1.590 1.715) 2.548 4.209 ( -0.828 -0.431 2.675) 2.833 4.307 ( -0.804 -0.993 -2.945) 3.210 4.602 ( 2.694 0.372 -3.799) 4.672 4.723 ( -0.128 2.941 1.062) 3.130 8.147 ( 2.202 1.932 -0.314) 2.946 8.653 ( 1.175 7.868 -0.388) 7.965 8.905 ( -3.420 -9.896 0.333) 10.476 9.603 ( -1.688 -0.798 0.313) 1.893 10.697 ( 5.016 6.005 0.105) 7.825 11.045 ( -3.063 -4.482 1.475) 5.625 ======================= Grid point 330 (116/146) ======================= q-point: (-0.36 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -0.000 11.671 -1.263) 11.739 1.713 ( 0.000 2.750 2.985) 4.058 1.999 ( 0.000 -8.945 4.328) 9.937 2.125 ( 0.000 2.469 5.842) 6.343 2.126 ( 0.000 -11.619 6.253) 13.195 2.400 ( -0.000 12.860 1.333) 12.929 2.625 ( 0.000 -4.377 -1.746) 4.712 2.837 ( 0.000 -0.546 1.673) 1.760 2.954 ( -0.000 4.562 -5.732) 7.326 3.021 ( 0.000 -3.841 1.020) 3.974 3.264 ( 0.000 -2.731 -0.550) 2.786 3.558 ( 0.000 -0.447 2.053) 2.101 3.695 ( -0.000 -2.606 -2.542) 3.641 4.135 ( 0.000 -1.312 5.247) 5.409 4.149 ( -0.000 2.436 0.329) 2.458 4.350 ( -0.000 0.341 -8.101) 8.109 4.524 ( 0.000 -1.943 0.182) 1.951 4.738 ( -0.000 2.452 0.003) 2.452 8.105 ( -0.000 1.727 -0.810) 1.908 8.642 ( -0.000 9.521 -0.305) 9.526 8.959 ( 0.000 -11.370 0.284) 11.374 9.641 ( 0.000 -0.747 0.496) 0.897 10.605 ( -0.000 5.376 0.531) 5.402 11.097 ( 0.000 -4.274 2.395) 4.899 ======================= Grid point 331 (117/146) ======================= q-point: (-0.27 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 5.340 1.677 0.108) 5.598 1.652 ( -4.901 -1.921 2.305) 5.747 1.920 ( -2.442 2.536 5.025) 6.136 2.140 ( 4.829 -7.458 3.903) 9.705 2.241 ( 8.049 1.831 7.368) 11.065 2.514 ( -1.304 10.604 1.209) 10.752 2.549 ( -1.307 -6.744 -1.148) 6.965 2.793 ( -5.621 2.005 -1.175) 6.083 2.912 ( -0.878 -4.726 -2.574) 5.453 3.079 ( 3.316 5.964 1.117) 6.915 3.242 ( -0.345 -1.720 -1.700) 2.443 3.543 ( -2.496 -0.368 2.492) 3.546 3.656 ( -0.412 -2.047 -3.503) 4.078 4.121 ( -1.789 0.734 3.038) 3.601 4.216 ( 2.133 0.665 4.293) 4.839 4.293 ( -1.611 -1.147 -6.535) 6.828 4.536 ( 3.137 -0.749 -2.055) 3.824 4.746 ( -0.319 0.551 -0.776) 1.004 8.126 ( 1.510 0.786 -0.525) 1.782 8.682 ( -0.317 -2.166 -1.124) 2.461 8.893 ( -1.201 1.249 0.854) 1.932 9.628 ( -1.377 -0.052 0.519) 1.473 10.671 ( 3.044 2.398 0.831) 3.963 11.067 ( -1.741 -1.429 2.343) 3.251 ======================= Grid point 342 (118/146) ======================= q-point: (-0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -0.000 2.284 0.265) 2.300 1.664 ( 0.000 -13.248 3.697) 13.754 2.000 ( -0.000 7.005 2.515) 7.443 2.005 ( 0.000 -5.285 4.835) 7.163 2.241 ( 0.000 1.192 8.435) 8.519 2.483 ( 0.000 -8.857 0.882) 8.901 2.627 ( -0.000 9.144 1.642) 9.290 2.854 ( -0.000 -4.360 -4.380) 6.180 2.868 ( -0.000 2.642 1.097) 2.861 3.113 ( -0.000 7.374 -0.249) 7.378 3.239 ( -0.000 0.515 -2.044) 2.108 3.572 ( 0.000 -0.252 2.204) 2.219 3.621 ( -0.000 -1.634 -4.588) 4.871 4.181 ( 0.000 -1.958 4.776) 5.162 4.198 ( 0.000 1.945 1.448) 2.425 4.288 ( -0.000 2.990 -4.683) 5.556 4.486 ( 0.000 -1.925 -0.714) 2.053 4.737 ( -0.000 -1.155 -2.204) 2.488 8.112 ( -0.000 -0.326 -0.675) 0.749 8.611 ( 0.000 -10.797 -0.917) 10.836 8.972 ( -0.000 10.860 0.467) 10.870 9.645 ( 0.000 0.544 0.564) 0.784 10.658 ( 0.000 -0.992 1.408) 1.723 11.092 ( 0.000 1.312 2.424) 2.756 ======================= Grid point 403 (119/146) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 0.000 -0.000 17.816) 17.816 0.864 ( 0.000 -0.000 17.816) 17.816 1.620 ( 0.000 -0.000 32.391) 32.391 2.449 ( -0.000 0.000 -7.425) 7.425 2.449 ( -0.000 0.000 -7.425) 7.425 2.705 ( 0.000 -0.000 0.219) 0.219 2.705 ( 0.000 -0.000 0.219) 0.219 2.944 ( 0.000 -0.000 6.885) 6.885 3.028 ( -0.000 0.000 -1.267) 1.267 3.536 ( 0.000 -0.000 0.003) 0.003 3.734 ( 0.000 -0.000 1.077) 1.077 3.734 ( 0.000 -0.000 1.077) 1.077 3.842 ( -0.000 0.000 -11.332) 11.332 3.972 ( 0.000 -0.000 2.427) 2.427 3.972 ( 0.000 -0.000 2.427) 2.427 4.478 ( -0.000 0.000 -7.886) 7.886 4.519 ( -0.000 0.000 -1.392) 1.392 4.519 ( -0.000 0.000 -1.392) 1.392 7.878 ( -0.000 0.000 -0.625) 0.625 7.878 ( -0.000 0.000 -0.625) 0.625 9.769 ( 0.000 -0.000 0.833) 0.833 9.769 ( 0.000 -0.000 0.833) 0.833 10.101 ( 0.000 -0.000 2.006) 2.006 11.666 ( -0.000 0.000 -0.586) 0.586 ======================= Grid point 404 (120/146) ======================= q-point: ( 0.36 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 2.326 1.343 15.977) 16.201 1.160 ( 8.711 5.029 10.101) 14.255 1.796 ( 2.779 1.605 25.963) 26.160 2.286 ( -4.981 -2.876 -4.676) 7.412 2.514 ( 0.091 0.053 -4.838) 4.839 2.688 ( -1.335 -0.771 0.184) 1.553 2.691 ( -1.717 -0.991 -0.069) 1.983 2.858 ( -8.814 -5.089 2.718) 10.534 3.003 ( -1.668 -0.963 -1.184) 2.261 3.520 ( -1.488 -0.859 0.004) 1.718 3.662 ( -5.267 -3.041 2.343) 6.518 3.689 ( -4.378 -2.528 -1.787) 5.362 3.723 ( -1.726 -0.996 0.753) 2.130 4.006 ( 3.093 1.786 -0.452) 3.600 4.096 ( 5.160 2.979 -0.339) 5.968 4.402 ( -1.020 -0.589 -6.173) 6.285 4.464 ( -1.812 -1.046 0.111) 2.096 4.565 ( 1.111 0.642 -2.413) 2.733 7.875 ( 0.747 0.431 -0.379) 0.943 7.951 ( 5.223 3.015 -0.408) 6.045 9.764 ( -0.783 -0.452 0.692) 1.138 9.787 ( -0.879 -0.508 -0.742) 1.257 10.113 ( 1.803 1.041 0.895) 2.266 11.591 ( -5.617 -3.243 1.421) 6.640 ======================= Grid point 405 (121/146) ======================= q-point: ( 0.45 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 16.017 9.248 7.523) 19.967 1.287 ( 1.408 0.813 -2.996) 3.409 1.946 ( 1.472 0.850 14.637) 14.735 2.245 ( 1.703 0.983 4.684) 5.081 2.360 ( -11.274 -6.509 2.844) 13.325 2.649 ( -1.420 -0.820 -2.237) 2.774 2.652 ( -1.941 -1.121 -0.117) 2.245 2.680 ( -6.889 -3.977 -3.598) 8.730 2.972 ( -0.156 -0.090 -3.180) 3.185 3.464 ( -3.896 -2.249 -0.178) 4.502 3.577 ( -4.987 -2.879 1.481) 5.945 3.644 ( -0.746 -0.431 6.999) 7.051 3.682 ( -1.906 -1.101 -0.365) 2.231 4.067 ( 2.466 1.424 -0.372) 2.872 4.151 ( 1.080 0.623 -4.818) 4.977 4.399 ( 2.832 1.635 -6.740) 7.491 4.466 ( 1.195 0.690 3.495) 3.758 4.552 ( -0.771 -0.445 -1.260) 1.543 7.907 ( 2.257 1.303 0.027) 2.606 8.082 ( 6.765 3.906 0.529) 7.829 9.680 ( -8.205 -4.737 0.139) 9.475 9.743 ( -1.412 -0.815 0.372) 1.672 10.208 ( 6.470 3.735 -1.989) 7.731 11.472 ( -5.841 -3.372 1.672) 6.949 ======================= Grid point 406 (122/146) ======================= q-point: ( 0.55 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -0.815 -0.470 -9.290) 9.337 1.511 ( 19.589 11.310 2.202) 22.726 1.926 ( -5.458 -3.151 -2.355) 6.728 2.234 ( -2.167 -1.251 9.098) 9.436 2.362 ( 4.161 2.402 8.068) 9.391 2.509 ( -5.829 -3.365 -7.459) 10.047 2.616 ( -0.614 -0.354 0.632) 0.950 2.616 ( -1.549 -0.894 -0.384) 1.829 2.954 ( -0.307 -0.178 -3.555) 3.573 3.345 ( -6.810 -3.932 -0.995) 7.926 3.461 ( -6.083 -3.512 1.101) 7.109 3.643 ( -1.303 -0.752 -1.575) 2.178 3.674 ( -0.589 -0.340 8.608) 8.635 4.105 ( 0.853 0.492 2.084) 2.304 4.133 ( 0.013 0.007 -4.376) 4.376 4.397 ( -1.123 -0.648 -5.795) 5.938 4.517 ( 1.416 0.817 3.132) 3.532 4.577 ( 3.995 2.307 -1.131) 4.750 7.968 ( 3.155 1.821 0.434) 3.669 8.245 ( 8.044 4.644 0.904) 9.333 9.466 ( -11.284 -6.515 0.385) 13.035 9.709 ( -1.680 -0.970 -0.026) 1.940 10.350 ( 7.446 4.299 -2.692) 9.010 11.354 ( -5.566 -3.213 0.333) 6.435 ======================= Grid point 407 (123/146) ======================= q-point: ( 0.64 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 3.703 2.138 -6.142) 7.484 1.790 ( -0.529 -0.306 -4.944) 4.982 1.948 ( 16.768 9.681 -2.624) 19.540 2.202 ( -5.783 -3.339 2.363) 7.083 2.380 ( -4.318 -2.493 -1.067) 5.099 2.400 ( -0.251 -0.145 -7.358) 7.363 2.591 ( -0.694 -0.401 1.966) 2.123 2.699 ( 6.214 3.588 6.868) 9.933 2.921 ( -1.381 -0.797 -3.237) 3.608 3.177 ( -7.685 -4.437 -1.560) 9.010 3.337 ( -5.610 -3.239 1.202) 6.588 3.612 ( -0.767 -0.443 -2.119) 2.297 3.679 ( -2.204 -1.273 6.077) 6.588 4.128 ( 1.064 0.614 -2.208) 2.527 4.137 ( 0.842 0.486 5.219) 5.308 4.330 ( -2.184 -1.261 -4.952) 5.557 4.542 ( -0.181 -0.104 1.421) 1.436 4.667 ( 3.775 2.180 0.050) 4.360 8.039 ( 2.967 1.713 0.707) 3.498 8.436 ( 9.212 5.319 0.741) 10.663 9.211 ( -12.166 -7.024 0.085) 14.048 9.674 ( -1.415 -0.817 -0.382) 1.678 10.496 ( 6.956 4.016 -2.123) 8.308 11.236 ( -5.079 -2.933 -1.277) 6.003 ======================= Grid point 408 (124/146) ======================= q-point: (-0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 7.979 4.607 -0.357) 9.221 1.784 ( 2.208 1.275 -7.068) 7.513 2.032 ( -8.135 -4.697 -0.949) 9.442 2.213 ( -8.886 -5.130 -6.180) 11.978 2.223 ( 7.014 4.049 -7.648) 11.139 2.434 ( 7.338 4.237 -3.184) 9.052 2.592 ( -1.615 -0.932 2.743) 3.317 2.860 ( 3.469 2.003 7.408) 8.421 2.868 ( -1.662 -0.960 -2.451) 3.113 3.041 ( -2.415 -1.395 -1.517) 3.175 3.251 ( -2.528 -1.460 1.335) 3.210 3.589 ( -0.444 -0.256 -2.254) 2.311 3.646 ( -2.674 -1.544 4.573) 5.518 4.157 ( 2.112 1.219 -0.830) 2.576 4.191 ( 2.504 1.446 0.667) 2.967 4.266 ( -2.490 -1.438 0.270) 2.888 4.524 ( -1.641 -0.948 0.214) 1.907 4.726 ( 1.240 0.716 1.689) 2.214 8.094 ( 1.646 0.951 0.789) 2.058 8.634 ( 7.682 4.435 0.797) 8.907 8.964 ( -9.331 -5.387 -0.449) 10.784 9.649 ( -0.602 -0.347 -0.585) 0.908 10.618 ( 4.608 2.660 -1.239) 5.463 11.132 ( -3.353 -1.936 -2.592) 4.659 ======================= Grid point 415 (125/146) ======================= q-point: ( 0.36 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 0.000 -8.997 17.208) 19.418 1.218 ( 0.000 9.208 10.673) 14.097 1.893 ( 0.000 -0.859 19.756) 19.775 2.311 ( -0.000 0.680 -3.082) 3.156 2.507 ( -0.000 5.913 -6.884) 9.075 2.680 ( 0.000 -2.888 0.136) 2.891 2.698 ( 0.000 -1.146 -0.016) 1.146 2.874 ( 0.000 -10.248 2.054) 10.452 2.996 ( 0.000 -4.366 -0.284) 4.375 3.520 ( 0.000 -1.918 0.026) 1.918 3.624 ( 0.000 -7.613 2.425) 7.990 3.674 ( 0.000 -5.742 1.989) 6.076 3.779 ( -0.000 0.024 -0.690) 0.690 3.960 ( 0.000 0.788 1.840) 2.001 4.097 ( -0.000 3.728 -1.718) 4.105 4.368 ( -0.000 -0.521 -8.351) 8.367 4.485 ( -0.000 0.014 -0.542) 0.542 4.551 ( -0.000 1.967 -1.252) 2.332 7.903 ( -0.000 2.319 -0.908) 2.490 7.929 ( -0.000 6.112 -0.286) 6.118 9.766 ( 0.000 -1.040 0.654) 1.229 9.783 ( 0.000 -1.236 -0.439) 1.311 10.116 ( 0.000 1.082 1.057) 1.513 11.593 ( 0.000 -6.394 1.060) 6.481 ======================= Grid point 416 (126/146) ======================= q-point: ( 0.45 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 12.789 -1.101 12.019) 17.585 1.327 ( -1.020 6.857 1.275) 7.049 1.941 ( 1.102 -6.013 13.263) 14.604 2.310 ( -1.917 3.053 1.270) 3.823 2.465 ( -6.557 -1.502 -0.997) 6.801 2.653 ( -1.742 -2.543 -0.430) 3.112 2.674 ( -0.331 0.038 -2.110) 2.136 2.718 ( -5.771 -8.282 -0.215) 10.097 2.942 ( 0.334 -3.004 -3.461) 4.595 3.475 ( -2.138 -4.797 0.172) 5.255 3.588 ( -0.895 -5.264 2.965) 6.107 3.635 ( 0.471 -2.732 4.771) 5.518 3.756 ( -2.462 1.161 2.042) 3.403 4.020 ( 3.828 0.793 0.974) 4.028 4.117 ( 1.228 0.716 -2.940) 3.265 4.347 ( 1.590 2.483 -8.778) 9.260 4.485 ( -0.427 1.324 1.832) 2.300 4.558 ( -0.642 0.638 -1.328) 1.607 7.915 ( -0.189 3.347 -0.473) 3.386 8.037 ( 4.498 6.449 0.098) 7.863 9.723 ( -3.661 -6.388 -0.075) 7.363 9.750 ( -0.774 -1.570 0.431) 1.802 10.164 ( 3.043 4.528 -0.754) 5.507 11.508 ( -3.183 -6.432 1.428) 7.317 ======================= Grid point 417 (127/146) ======================= q-point: ( 0.55 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 10.012 5.219 -0.773) 11.318 1.363 ( 4.708 10.085 -1.761) 11.268 1.929 ( -1.780 -9.001 5.537) 10.717 2.237 ( -2.102 -6.687 5.515) 8.919 2.415 ( -2.204 1.771 4.638) 5.432 2.515 ( -5.253 -5.284 -7.302) 10.433 2.610 ( -1.999 -2.615 -0.361) 3.311 2.688 ( -1.246 4.147 0.017) 4.330 2.923 ( 1.263 -1.196 -3.902) 4.272 3.362 ( -4.072 -8.106 -0.075) 9.072 3.527 ( -3.543 -2.520 1.569) 4.622 3.628 ( -0.371 -2.968 0.864) 3.114 3.750 ( -2.379 1.258 5.554) 6.171 4.089 ( 2.338 1.244 3.528) 4.411 4.132 ( 0.669 1.985 -2.651) 3.379 4.370 ( 1.641 2.381 -8.293) 8.783 4.510 ( 1.074 0.092 2.448) 2.675 4.548 ( 0.673 1.153 -1.091) 1.724 7.958 ( 1.512 3.496 0.102) 3.810 8.184 ( 6.008 6.384 0.610) 8.788 9.553 ( -7.954 -8.957 0.292) 11.982 9.718 ( -1.219 -1.988 0.105) 2.334 10.282 ( 5.586 6.126 -1.900) 8.506 11.394 ( -4.236 -5.796 0.641) 7.208 ======================= Grid point 418 (128/146) ======================= q-point: ( 0.64 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -3.356 13.295 -6.821) 15.315 1.722 ( 17.302 8.632 1.562) 19.399 1.790 ( -1.507 -5.793 -4.946) 7.765 2.222 ( -1.837 -7.705 6.835) 10.462 2.337 ( 0.081 -4.947 -1.916) 5.306 2.422 ( -2.110 -1.367 -4.698) 5.328 2.561 ( -0.633 -2.545 0.226) 2.633 2.738 ( 0.725 5.812 3.159) 6.654 2.915 ( 0.388 0.261 -3.387) 3.419 3.207 ( -5.091 -8.217 -0.362) 9.673 3.432 ( -6.693 -1.274 1.128) 6.906 3.594 ( -0.023 -2.619 -1.623) 3.081 3.735 ( -2.570 -1.063 4.186) 5.026 4.134 ( -0.934 2.687 -1.944) 3.446 4.165 ( 0.890 1.995 7.169) 7.495 4.336 ( -2.032 0.098 -6.168) 6.495 4.533 ( 0.999 -1.124 1.849) 2.383 4.616 ( 4.875 2.767 -1.449) 5.790 8.024 ( 2.271 3.299 0.542) 4.042 8.355 ( 7.495 6.269 0.586) 9.789 9.318 ( -10.179 -9.368 0.154) 13.835 9.678 ( -1.150 -2.125 -0.229) 2.427 10.429 ( 6.172 6.425 -1.733) 9.076 11.272 ( -4.513 -5.209 -0.666) 6.925 ======================= Grid point 419 (129/146) ======================= q-point: ( 0.73 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 0.336 15.653 -2.451) 15.848 1.698 ( 1.796 -3.976 -5.454) 6.984 2.024 ( 0.121 -8.256 -3.707) 9.051 2.113 ( 6.809 4.392 -0.624) 8.126 2.327 ( -5.903 -0.569 -0.953) 6.007 2.357 ( 3.199 3.175 -7.268) 8.552 2.568 ( 3.401 -3.494 4.188) 6.428 2.798 ( 0.871 -2.303 2.187) 3.293 2.929 ( 0.368 5.144 -0.919) 5.238 3.061 ( -3.680 -5.367 -0.099) 6.508 3.314 ( -6.317 -1.090 0.921) 6.477 3.565 ( 0.481 -2.392 -2.281) 3.340 3.692 ( -2.621 -1.990 3.218) 4.603 4.125 ( -0.263 0.002 -1.352) 1.377 4.214 ( -0.587 2.505 1.444) 2.950 4.292 ( -1.080 0.005 0.415) 1.157 4.539 ( -0.415 -0.110 1.587) 1.644 4.704 ( 3.374 1.586 -0.159) 3.731 8.089 ( 1.650 2.710 0.694) 3.248 8.547 ( 8.653 5.799 0.448) 10.426 9.064 ( -10.450 -8.461 -0.150) 13.446 9.644 ( -0.472 -1.863 -0.467) 1.978 10.575 ( 5.037 6.016 -1.048) 7.916 11.150 ( -3.864 -4.439 -1.915) 6.189 ======================= Grid point 427 (130/146) ======================= q-point: ( 0.45 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 0.000 -2.339 13.642) 13.841 1.417 ( -0.000 7.979 0.692) 8.009 1.936 ( 0.000 -5.820 10.364) 11.886 2.322 ( 0.000 -4.285 -1.134) 4.433 2.528 ( -0.000 0.878 -3.903) 4.000 2.617 ( 0.000 -3.806 3.051) 4.878 2.679 ( 0.000 -8.455 -2.294) 8.761 2.681 ( -0.000 1.270 -2.125) 2.476 2.887 ( -0.000 -3.532 -2.219) 4.172 3.450 ( 0.000 -5.986 0.414) 6.001 3.580 ( 0.000 -4.839 4.615) 6.687 3.602 ( 0.000 -3.479 2.388) 4.220 3.792 ( 0.000 0.952 3.527) 3.653 4.005 ( 0.000 2.100 1.302) 2.471 4.106 ( -0.000 0.875 0.419) 0.970 4.318 ( -0.000 3.524 -9.670) 10.292 4.507 ( 0.000 1.267 0.740) 1.468 4.569 ( -0.000 1.009 -1.003) 1.423 7.945 ( -0.000 3.207 -1.330) 3.472 8.073 ( -0.000 8.748 0.427) 8.758 9.681 ( 0.000 -9.059 0.080) 9.059 9.743 ( 0.000 -1.956 0.376) 1.992 10.184 ( -0.000 5.908 -0.697) 5.949 11.472 ( 0.000 -7.649 1.417) 7.779 ======================= Grid point 428 (131/146) ======================= q-point: ( 0.55 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 15.419 3.024 8.281) 17.762 1.475 ( -2.755 11.774 -3.525) 12.596 1.906 ( -1.834 -8.357 6.832) 10.949 2.233 ( -2.234 -6.715 2.531) 7.516 2.467 ( -3.959 -5.971 2.303) 7.526 2.525 ( -4.219 -4.326 -6.828) 9.117 2.609 ( -1.624 -1.664 -0.425) 2.364 2.719 ( 1.644 4.211 -1.912) 4.908 2.872 ( 1.405 -1.151 -1.061) 2.103 3.351 ( -3.767 -8.029 0.607) 8.889 3.540 ( -0.404 -3.404 1.328) 3.676 3.597 ( 0.603 -4.198 1.721) 4.577 3.802 ( -1.341 -0.516 2.654) 3.018 4.074 ( 4.356 2.275 2.701) 5.608 4.138 ( 0.326 2.813 3.875) 4.800 4.323 ( 1.857 3.534 -9.769) 10.553 4.519 ( -0.425 1.454 0.805) 1.715 4.560 ( -1.160 0.539 -0.986) 1.615 7.975 ( 0.617 3.687 -0.975) 3.864 8.184 ( 2.881 8.554 0.550) 9.043 9.554 ( -3.799 -11.302 0.178) 11.924 9.716 ( -0.937 -2.287 0.229) 2.482 10.268 ( 3.017 7.372 -0.962) 8.023 11.388 ( -2.161 -7.424 1.038) 7.801 ======================= Grid point 429 (132/146) ======================= q-point: ( 0.64 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 12.998 10.120 1.150) 16.514 1.563 ( 3.665 14.069 -2.254) 14.712 1.768 ( -4.875 -9.098 -0.612) 10.340 2.213 ( -0.425 -5.060 9.392) 10.677 2.293 ( -3.279 -8.468 -0.671) 9.105 2.426 ( -3.760 -0.882 -7.372) 8.322 2.562 ( -1.385 -2.063 -0.463) 2.527 2.776 ( 1.032 3.801 0.119) 3.941 2.889 ( 1.593 0.648 -0.892) 1.937 3.207 ( -4.540 -7.989 0.143) 9.190 3.506 ( -2.378 -1.640 1.205) 3.130 3.552 ( -0.585 -4.957 -0.382) 5.006 3.769 ( -1.944 -2.155 1.222) 3.149 4.153 ( 1.424 1.090 -0.348) 1.827 4.209 ( 1.202 2.749 8.510) 9.023 4.328 ( 0.009 0.955 -7.813) 7.871 4.531 ( -0.148 2.016 0.906) 2.215 4.567 ( 2.299 2.093 -1.502) 3.453 8.027 ( 1.733 3.816 -0.252) 4.199 8.324 ( 4.624 7.939 0.432) 9.198 9.359 ( -6.792 -11.734 0.089) 13.558 9.675 ( -1.322 -2.513 0.025) 2.840 10.402 ( 4.826 7.971 -0.820) 9.354 11.279 ( -3.403 -6.737 0.233) 7.551 ======================= Grid point 430 (133/146) ======================= q-point: ( 0.73 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -2.611 13.890 -3.345) 14.524 1.645 ( -2.837 0.418 -1.657) 3.312 1.859 ( 14.183 1.893 0.207) 14.311 2.081 ( -1.970 -4.574 -0.104) 4.982 2.317 ( -2.138 -2.372 -7.714) 8.349 2.342 ( 3.920 0.891 6.433) 7.586 2.530 ( -0.319 -0.998 0.459) 1.144 2.795 ( -1.116 -1.748 0.539) 2.143 2.945 ( 2.634 5.300 -1.101) 6.020 3.064 ( -4.101 -7.234 0.516) 8.331 3.421 ( -6.765 -1.251 1.343) 7.010 3.509 ( 1.243 -4.545 -2.036) 5.133 3.718 ( -2.016 -2.690 1.055) 3.523 4.151 ( -2.071 0.551 -0.666) 2.245 4.239 ( -1.170 -1.864 0.608) 2.283 4.304 ( 0.083 0.664 0.002) 0.669 4.565 ( 0.032 3.089 2.895) 4.233 4.648 ( 4.791 2.595 -1.973) 5.795 8.093 ( 1.899 3.579 0.272) 4.061 8.484 ( 6.285 7.087 0.166) 9.474 9.128 ( -8.387 -10.772 -0.029) 13.652 9.632 ( -0.940 -2.428 -0.187) 2.610 10.556 ( 5.082 8.052 -0.406) 9.531 11.158 ( -3.886 -6.007 -0.707) 7.189 ======================= Grid point 439 (134/146) ======================= q-point: ( 0.55 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 0.000 4.372 8.754) 9.785 1.605 ( -0.000 13.518 -0.798) 13.542 1.867 ( 0.000 -8.269 1.114) 8.344 2.213 ( 0.000 -4.158 6.209) 7.472 2.447 ( 0.000 -10.918 -1.667) 11.044 2.463 ( 0.000 -5.584 0.525) 5.609 2.643 ( -0.000 1.109 -2.129) 2.400 2.718 ( -0.000 5.959 -5.198) 7.907 2.858 ( 0.000 -0.257 1.858) 1.875 3.316 ( 0.000 -8.448 0.709) 8.477 3.481 ( 0.000 -7.037 0.265) 7.042 3.580 ( 0.000 -1.529 2.320) 2.778 3.809 ( 0.000 -2.071 0.089) 2.073 4.056 ( 0.000 2.154 1.097) 2.418 4.190 ( 0.000 1.862 7.170) 7.408 4.294 ( -0.000 3.010 -9.354) 9.826 4.553 ( -0.000 4.129 0.317) 4.142 4.570 ( -0.000 -0.042 -0.710) 0.711 7.997 ( -0.000 3.652 -1.422) 3.919 8.250 ( -0.000 9.628 0.428) 9.637 9.470 ( 0.000 -13.052 0.085) 13.052 9.705 ( 0.000 -2.289 0.278) 2.306 10.314 ( -0.000 8.208 -0.242) 8.212 11.339 ( 0.000 -7.754 1.265) 7.856 ======================= Grid point 440 (135/146) ======================= q-point: ( 0.64 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 15.208 6.635 5.271) 17.410 1.715 ( -2.005 5.501 4.227) 7.221 1.778 ( -3.142 4.452 -4.621) 7.144 2.233 ( -0.316 -1.731 9.756) 9.913 2.272 ( -5.010 -10.179 -0.513) 11.357 2.428 ( -0.130 -4.176 -2.332) 4.785 2.584 ( -4.393 0.532 -3.241) 5.485 2.781 ( 1.915 4.302 -2.857) 5.508 2.876 ( 1.178 0.592 2.043) 2.432 3.202 ( -3.718 -8.214 0.234) 9.019 3.443 ( 2.666 -6.608 -0.503) 7.143 3.565 ( -1.840 -1.531 2.283) 3.308 3.771 ( -1.132 -2.840 -1.074) 3.241 4.114 ( 3.264 0.851 0.852) 3.479 4.229 ( 1.522 -1.759 5.182) 5.680 4.296 ( 0.866 3.135 -6.978) 7.699 4.554 ( -0.843 0.270 -1.312) 1.583 4.596 ( -0.736 5.629 1.258) 5.815 8.035 ( 1.179 3.658 -0.990) 3.969 8.358 ( 1.758 9.681 0.187) 9.841 9.319 ( -3.051 -13.573 0.002) 13.912 9.675 ( -1.171 -2.224 0.271) 2.528 10.416 ( 2.738 8.529 0.204) 8.960 11.259 ( -1.829 -7.212 1.137) 7.526 ======================= Grid point 451 (136/146) ======================= q-point: (-0.36 -0.36 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -0.000 8.509 4.173) 9.477 1.728 ( 0.000 -3.810 3.861) 5.425 1.924 ( -0.000 17.237 0.680) 17.251 2.232 ( 0.000 -10.411 -1.630) 10.537 2.279 ( 0.000 1.837 9.312) 9.492 2.347 ( 0.000 -8.580 3.477) 9.258 2.631 ( -0.000 0.474 -3.376) 3.409 2.795 ( -0.000 7.721 -6.396) 10.026 2.874 ( 0.000 -1.147 3.235) 3.433 3.159 ( 0.000 -8.743 0.794) 8.779 3.350 ( 0.000 -6.327 -0.670) 6.363 3.580 ( 0.000 -0.853 2.327) 2.479 3.741 ( -0.000 -3.260 -2.850) 4.330 4.106 ( -0.000 2.173 0.986) 2.386 4.196 ( 0.000 -2.685 0.388) 2.712 4.295 ( -0.000 1.871 -3.254) 3.754 4.555 ( 0.000 -1.026 -0.435) 1.115 4.662 ( -0.000 5.537 0.700) 5.581 8.052 ( -0.000 3.334 -1.112) 3.515 8.441 ( -0.000 10.689 -0.090) 10.690 9.212 ( 0.000 -14.247 -0.006) 14.247 9.668 ( 0.000 -1.802 0.417) 1.849 10.475 ( -0.000 8.262 0.901) 8.311 11.215 ( 0.000 -6.714 1.748) 6.938 ======================= Grid point 537 (137/146) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 0.000 -0.000 13.100) 13.100 1.080 ( 0.000 -0.000 13.100) 13.100 2.007 ( 0.000 -0.000 22.988) 22.988 2.347 ( -0.000 0.000 -6.878) 6.878 2.347 ( -0.000 0.000 -6.878) 6.878 2.708 ( 0.000 -0.000 0.174) 0.174 2.708 ( 0.000 -0.000 0.174) 0.174 2.965 ( -0.000 0.000 -1.435) 1.435 3.073 ( 0.000 -0.000 4.404) 4.404 3.536 ( 0.000 -0.000 0.002) 0.002 3.734 ( -0.000 0.000 -3.365) 3.365 3.748 ( 0.000 -0.000 0.880) 0.880 3.748 ( 0.000 -0.000 0.880) 0.880 4.002 ( 0.000 -0.000 1.849) 1.849 4.002 ( 0.000 -0.000 1.849) 1.849 4.338 ( -0.000 0.000 -11.719) 11.719 4.501 ( -0.000 0.000 -1.165) 1.165 4.501 ( -0.000 0.000 -1.165) 1.165 7.871 ( -0.000 0.000 -0.472) 0.472 7.871 ( -0.000 0.000 -0.472) 0.472 9.779 ( 0.000 -0.000 0.632) 0.632 9.779 ( 0.000 -0.000 0.632) 0.632 10.127 ( 0.000 -0.000 1.610) 1.610 11.659 ( -0.000 0.000 -0.484) 0.484 ======================= Grid point 538 (138/146) ======================= q-point: ( 0.45 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -0.180 -0.104 14.691) 14.692 1.240 ( 2.210 1.276 1.149) 2.799 2.092 ( -0.785 -0.453 16.005) 16.031 2.255 ( -0.420 -0.242 0.619) 0.786 2.429 ( 3.212 1.855 -6.867) 7.804 2.689 ( -2.194 -1.267 -0.248) 2.546 2.691 ( -1.413 -0.816 0.233) 1.649 2.869 ( -9.169 -5.294 -0.776) 10.616 2.993 ( -5.535 -3.196 -0.578) 6.417 3.521 ( -1.504 -0.868 -0.003) 1.736 3.691 ( -3.845 -2.220 1.698) 4.754 3.714 ( -0.454 -0.262 5.371) 5.397 3.728 ( -2.203 -1.272 0.019) 2.544 4.013 ( 2.332 1.346 1.519) 3.092 4.075 ( 2.462 1.422 -2.459) 3.759 4.281 ( 0.453 0.261 -10.444) 10.457 4.476 ( 0.089 0.051 1.532) 1.535 4.535 ( 1.227 0.709 -1.954) 2.414 7.873 ( 0.963 0.556 0.163) 1.124 7.943 ( 5.617 3.243 -0.700) 6.524 9.772 ( -0.895 -0.517 0.441) 1.123 9.782 ( -1.259 -0.727 -0.168) 1.464 10.127 ( 0.423 0.244 0.839) 0.971 11.602 ( -4.586 -2.648 0.380) 5.309 ======================= Grid point 539 (139/146) ======================= q-point: ( 0.55 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -2.877 -1.661 -9.617) 10.174 1.217 ( 11.016 6.360 10.025) 16.196 2.085 ( -5.897 -3.404 5.228) 8.584 2.336 ( 4.866 2.809 7.966) 9.748 2.376 ( -4.907 -2.833 -1.723) 5.922 2.599 ( -6.546 -3.779 -1.760) 7.760 2.653 ( -2.039 -1.177 0.226) 2.366 2.667 ( -5.172 -2.986 -0.170) 5.974 2.920 ( -0.720 -0.416 -3.793) 3.883 3.461 ( -4.246 -2.451 -0.298) 4.912 3.597 ( -5.381 -3.107 1.425) 6.374 3.669 ( -2.610 -1.507 -1.649) 3.436 3.760 ( 0.319 0.184 8.121) 8.130 4.084 ( 3.057 1.765 3.443) 4.931 4.085 ( 0.576 0.333 -4.393) 4.443 4.283 ( 3.679 2.124 -9.591) 10.489 4.512 ( 1.653 0.954 3.014) 3.567 4.535 ( -0.119 -0.069 -1.181) 1.189 7.913 ( 2.407 1.390 0.759) 2.881 8.084 ( 7.357 4.247 -0.145) 8.496 9.682 ( -7.830 -4.521 0.064) 9.042 9.746 ( -1.594 -0.920 0.140) 1.846 10.188 ( 5.205 3.005 -0.894) 6.076 11.486 ( -6.043 -3.489 0.403) 6.990 ======================= Grid point 540 (140/146) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 0.440 0.254 -10.178) 10.191 1.558 ( 16.560 9.561 4.271) 19.593 1.892 ( -9.803 -5.660 -2.249) 11.540 2.306 ( -1.228 -0.709 -2.362) 2.755 2.421 ( -8.198 -4.733 -1.405) 9.570 2.446 ( -0.252 -0.146 3.550) 3.562 2.621 ( -0.748 -0.432 0.993) 1.317 2.648 ( 2.796 1.614 4.171) 5.275 2.899 ( 0.003 0.002 -3.863) 3.863 3.330 ( -7.297 -4.213 -1.157) 8.505 3.476 ( -6.178 -3.567 0.837) 7.183 3.614 ( -1.471 -0.849 -2.416) 2.953 3.775 ( -1.739 -1.004 5.186) 5.561 4.083 ( 1.000 0.578 -2.794) 3.024 4.169 ( 2.226 1.285 7.337) 7.774 4.300 ( 0.671 0.388 -7.888) 7.926 4.552 ( 0.680 0.393 1.917) 2.072 4.562 ( 3.821 2.206 -0.944) 4.512 7.979 ( 3.187 1.840 1.106) 3.843 8.252 ( 8.229 4.751 0.169) 9.503 9.470 ( -11.312 -6.531 0.158) 13.063 9.708 ( -1.874 -1.082 -0.178) 2.171 10.322 ( 7.230 4.174 -1.340) 8.456 11.352 ( -6.257 -3.612 -0.609) 7.250 ======================= Grid point 549 (141/146) ======================= q-point: ( 0.45 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 0.000 -8.289 14.093) 16.350 1.287 ( -0.000 5.416 -0.714) 5.463 2.108 ( 0.000 -5.961 11.263) 12.743 2.313 ( 0.000 3.901 2.745) 4.770 2.403 ( -0.000 6.692 -7.887) 10.343 2.682 ( 0.000 -2.889 0.203) 2.896 2.697 ( 0.000 -1.452 -0.122) 1.458 2.869 ( 0.000 -8.863 -1.494) 8.988 2.993 ( 0.000 -8.331 -0.630) 8.354 3.520 ( 0.000 -1.841 0.026) 1.842 3.684 ( 0.000 -3.930 4.897) 6.279 3.701 ( 0.000 -4.803 1.881) 5.158 3.778 ( 0.000 1.648 0.904) 1.880 3.992 ( 0.000 0.126 2.788) 2.791 4.074 ( -0.000 2.612 -1.228) 2.886 4.230 ( -0.000 0.494 -10.381) 10.392 4.490 ( 0.000 1.040 1.053) 1.480 4.529 ( -0.000 2.188 -1.852) 2.867 7.890 ( -0.000 1.979 -0.920) 2.182 7.928 ( -0.000 6.363 0.176) 6.366 9.774 ( 0.000 -1.112 0.355) 1.168 9.780 ( 0.000 -1.617 -0.053) 1.617 10.129 ( 0.000 0.040 0.718) 0.719 11.602 ( 0.000 -5.288 0.318) 5.298 ======================= Grid point 550 (142/146) ======================= q-point: ( 0.55 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 7.644 -3.305 10.311) 13.254 1.278 ( -4.106 5.917 -6.492) 9.696 2.102 ( -0.622 -7.019 8.097) 10.734 2.338 ( -0.524 -0.979 2.892) 3.098 2.413 ( -1.612 3.611 -5.742) 6.972 2.646 ( -3.125 -3.585 -0.300) 4.765 2.664 ( -0.333 -0.820 0.275) 0.927 2.712 ( -5.667 -8.863 -0.594) 10.537 2.903 ( -1.034 -3.467 -1.675) 3.987 3.477 ( -2.333 -4.382 0.063) 4.965 3.620 ( -2.635 -5.154 1.419) 5.960 3.678 ( -0.755 -3.236 0.949) 3.456 3.805 ( -0.211 1.738 3.507) 3.919 4.054 ( 4.332 1.346 3.367) 5.649 4.092 ( -0.681 3.249 0.375) 3.341 4.210 ( 1.933 2.294 -9.654) 10.109 4.511 ( 0.746 0.834 1.965) 2.262 4.537 ( -0.394 1.126 -1.702) 2.079 7.911 ( 0.750 2.679 -0.147) 2.786 8.037 ( 4.442 7.101 -0.038) 8.376 9.723 ( -3.508 -6.101 -0.014) 7.038 9.755 ( -0.890 -1.625 0.160) 1.859 10.159 ( 2.210 3.568 -0.133) 4.200 11.520 ( -3.315 -6.065 0.400) 6.923 ======================= Grid point 551 (143/146) ======================= q-point: ( 0.64 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -4.168 9.681 -8.508) 13.546 1.400 ( 13.921 5.400 5.738) 15.996 1.960 ( -8.052 -9.840 -0.735) 12.736 2.296 ( -1.346 -2.212 -2.206) 3.402 2.427 ( 1.334 -2.394 2.734) 3.871 2.478 ( -6.587 -8.471 1.228) 10.801 2.608 ( -1.947 -2.764 -0.043) 3.381 2.696 ( 0.841 4.408 1.193) 4.643 2.879 ( 0.339 -0.160 -2.076) 2.110 3.358 ( -4.710 -7.616 -0.414) 8.964 3.544 ( -3.601 -2.356 0.697) 4.359 3.619 ( -2.384 -2.460 -1.474) 3.729 3.808 ( -1.210 -1.193 1.949) 2.586 4.101 ( -0.871 3.928 -1.707) 4.370 4.183 ( 3.092 3.359 9.341) 10.397 4.242 ( 3.348 2.766 -9.482) 10.429 4.531 ( 0.751 0.251 -0.601) 0.994 4.542 ( 1.247 -0.115 1.347) 1.839 7.963 ( 2.192 2.909 0.642) 3.698 8.188 ( 6.086 6.720 -0.036) 9.067 9.555 ( -7.900 -8.925 0.056) 11.919 9.718 ( -1.405 -2.015 -0.072) 2.457 10.265 ( 5.088 6.024 -0.499) 7.901 11.397 ( -4.860 -5.778 -0.258) 7.555 ======================= Grid point 561 (144/146) ======================= q-point: ( 0.55 0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 0.000 -4.470 13.019) 13.765 1.350 ( -0.000 9.365 -8.461) 12.621 2.076 ( 0.000 -8.751 6.947) 11.173 2.327 ( 0.000 -4.758 2.659) 5.451 2.447 ( -0.000 5.300 -7.487) 9.173 2.621 ( -0.000 -4.524 -3.163) 5.520 2.660 ( -0.000 -1.529 -0.899) 1.773 2.660 ( 0.000 -8.477 0.731) 8.508 2.881 ( 0.000 -2.224 1.415) 2.636 3.456 ( 0.000 -5.468 0.443) 5.486 3.610 ( 0.000 -6.405 0.067) 6.405 3.638 ( 0.000 -3.614 2.609) 4.457 3.824 ( -0.000 0.626 -0.472) 0.784 4.034 ( 0.000 1.175 2.938) 3.164 4.153 ( 0.000 5.278 4.103) 6.685 4.182 ( -0.000 2.949 -6.537) 7.171 4.519 ( 0.000 0.576 1.023) 1.174 4.547 ( -0.000 1.645 -2.078) 2.650 7.927 ( -0.000 3.004 -1.242) 3.250 8.079 ( -0.000 8.846 0.423) 8.857 9.682 ( 0.000 -8.907 0.021) 8.907 9.746 ( 0.000 -1.961 0.137) 1.966 10.181 ( -0.000 5.405 0.178) 5.408 11.485 ( 0.000 -7.279 0.508) 7.296 ======================= Grid point 672 (145/146) ======================= q-point: ( 0.45 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 0.000 -0.000 5.095) 5.095 1.209 ( 0.000 -0.000 5.095) 5.095 2.232 ( 0.000 -0.000 8.746) 8.746 2.275 ( -0.000 0.000 -3.024) 3.024 2.275 ( -0.000 0.000 -3.024) 3.024 2.710 ( 0.000 -0.000 0.066) 0.066 2.710 ( 0.000 -0.000 0.066) 0.066 2.953 ( -0.000 0.000 -0.119) 0.119 3.094 ( -0.000 0.000 -0.530) 0.530 3.536 ( 0.000 -0.000 0.001) 0.001 3.749 ( 0.000 -0.000 3.386) 3.386 3.757 ( 0.000 -0.000 0.338) 0.338 3.757 ( 0.000 -0.000 0.338) 0.338 4.020 ( 0.000 -0.000 0.697) 0.697 4.020 ( 0.000 -0.000 0.697) 0.697 4.188 ( -0.000 0.000 -7.949) 7.949 4.489 ( -0.000 0.000 -0.462) 0.462 4.489 ( -0.000 0.000 -0.462) 0.462 7.866 ( -0.000 0.000 -0.175) 0.175 7.866 ( -0.000 0.000 -0.175) 0.175 9.786 ( 0.000 -0.000 0.235) 0.235 9.786 ( 0.000 -0.000 0.235) 0.235 10.143 ( 0.000 -0.000 0.617) 0.617 11.654 ( -0.000 0.000 -0.189) 0.189 ======================= Grid point 673 (146/146) ======================= q-point: ( 0.55 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -3.906 -2.255 -8.059) 9.235 1.209 ( 0.842 0.486 9.859) 9.907 2.203 ( -2.874 -1.659 -0.956) 3.454 2.303 ( 4.022 2.322 5.931) 7.533 2.352 ( 3.213 1.855 -3.243) 4.928 2.685 ( -2.512 -1.450 -0.248) 2.911 2.694 ( -1.391 -0.803 0.208) 1.619 2.857 ( -8.321 -4.804 -0.214) 9.611 2.986 ( -7.264 -4.194 -0.049) 8.388 3.520 ( -1.538 -0.888 -0.015) 1.776 3.711 ( -3.821 -2.206 0.632) 4.458 3.722 ( -3.059 -1.766 -0.991) 3.669 3.785 ( 1.951 1.126 2.516) 3.377 4.034 ( 0.595 0.343 -3.214) 3.287 4.052 ( 2.948 1.702 3.521) 4.898 4.161 ( 0.307 0.177 -3.923) 3.939 4.502 ( 1.429 0.825 2.053) 2.634 4.510 ( 1.205 0.696 -1.708) 2.203 7.879 ( 1.324 0.764 0.646) 1.660 7.933 ( 5.649 3.262 -0.580) 6.549 9.776 ( -0.962 -0.555 0.052) 1.112 9.780 ( -1.475 -0.852 -0.028) 1.703 10.134 ( -0.109 -0.063 0.109) 0.167 11.604 ( -4.275 -2.468 -0.014) 4.936 =================== 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 3/31944 10.0 183.998 183.998 338.785 -0.000 0.000 -0.000 3/31944 20.0 35.946 35.946 39.903 -0.000 0.000 -0.000 3/31944 30.0 17.655 17.655 17.235 -0.000 0.000 -0.000 3/31944 40.0 11.671 11.671 10.708 -0.000 0.000 -0.000 3/31944 50.0 8.798 8.798 7.773 -0.000 -0.000 -0.000 3/31944 60.0 7.116 7.116 6.130 -0.000 -0.000 -0.000 3/31944 70.0 6.006 6.006 5.080 -0.000 -0.000 -0.000 3/31944 80.0 5.215 5.215 4.349 -0.000 -0.000 -0.000 3/31944 90.0 4.619 4.619 3.808 -0.000 -0.000 -0.000 3/31944 100.0 4.152 4.152 3.391 -0.000 -0.000 -0.000 3/31944 110.0 3.775 3.775 3.058 -0.000 -0.000 -0.000 3/31944 120.0 3.464 3.464 2.786 -0.000 -0.000 -0.000 3/31944 130.0 3.201 3.201 2.559 -0.000 -0.000 -0.000 3/31944 140.0 2.977 2.977 2.367 -0.000 -0.000 -0.000 3/31944 150.0 2.783 2.783 2.203 -0.000 -0.000 -0.000 3/31944 160.0 2.613 2.613 2.060 -0.000 -0.000 -0.000 3/31944 170.0 2.463 2.463 1.935 -0.000 -0.000 -0.000 3/31944 180.0 2.330 2.330 1.824 -0.000 -0.000 -0.000 3/31944 190.0 2.210 2.210 1.726 -0.000 -0.000 -0.000 3/31944 200.0 2.103 2.103 1.637 -0.000 -0.000 -0.000 3/31944 210.0 2.005 2.005 1.558 -0.000 -0.000 -0.000 3/31944 220.0 1.916 1.916 1.486 -0.000 -0.000 -0.000 3/31944 230.0 1.835 1.835 1.420 -0.000 -0.000 -0.000 3/31944 240.0 1.760 1.760 1.360 -0.000 -0.000 -0.000 3/31944 250.0 1.691 1.691 1.305 -0.000 -0.000 -0.000 3/31944 260.0 1.627 1.627 1.254 -0.000 -0.000 -0.000 3/31944 270.0 1.568 1.568 1.207 -0.000 -0.000 -0.000 3/31944 280.0 1.513 1.513 1.164 -0.000 -0.000 -0.000 3/31944 290.0 1.462 1.462 1.123 -0.000 -0.000 -0.000 3/31944 300.0 1.414 1.414 1.085 -0.000 -0.000 -0.000 3/31944 310.0 1.369 1.369 1.050 -0.000 -0.000 -0.000 3/31944 320.0 1.327 1.327 1.017 -0.000 -0.000 -0.000 3/31944 330.0 1.288 1.288 0.986 -0.000 -0.000 -0.000 3/31944 340.0 1.251 1.251 0.957 -0.000 -0.000 -0.000 3/31944 350.0 1.215 1.215 0.929 -0.000 -0.000 -0.000 3/31944 360.0 1.182 1.182 0.904 -0.000 -0.000 -0.000 3/31944 370.0 1.151 1.151 0.879 -0.000 -0.000 -0.000 3/31944 380.0 1.121 1.121 0.856 -0.000 -0.000 -0.000 3/31944 390.0 1.092 1.092 0.834 -0.000 -0.000 -0.000 3/31944 400.0 1.065 1.065 0.813 -0.000 -0.000 -0.000 3/31944 410.0 1.040 1.040 0.793 -0.000 -0.000 -0.000 3/31944 420.0 1.015 1.015 0.774 -0.000 -0.000 -0.000 3/31944 430.0 0.992 0.992 0.756 -0.000 -0.000 -0.000 3/31944 440.0 0.970 0.970 0.739 -0.000 -0.000 -0.000 3/31944 450.0 0.948 0.948 0.722 -0.000 -0.000 -0.000 3/31944 460.0 0.928 0.928 0.707 -0.000 -0.000 -0.000 3/31944 470.0 0.909 0.909 0.692 -0.000 -0.000 -0.000 3/31944 480.0 0.890 0.890 0.677 -0.000 -0.000 -0.000 3/31944 490.0 0.872 0.872 0.663 -0.000 -0.000 -0.000 3/31944 500.0 0.855 0.855 0.650 -0.000 -0.000 -0.000 3/31944 510.0 0.838 0.838 0.637 -0.000 -0.000 -0.000 3/31944 520.0 0.822 0.822 0.625 -0.000 -0.000 -0.000 3/31944 530.0 0.807 0.807 0.613 -0.000 -0.000 -0.000 3/31944 540.0 0.792 0.792 0.602 -0.000 -0.000 -0.000 3/31944 550.0 0.778 0.778 0.591 -0.000 -0.000 -0.000 3/31944 560.0 0.764 0.764 0.580 -0.000 -0.000 -0.000 3/31944 570.0 0.751 0.751 0.570 -0.000 -0.000 -0.000 3/31944 580.0 0.738 0.738 0.560 -0.000 -0.000 -0.000 3/31944 590.0 0.725 0.725 0.551 -0.000 -0.000 -0.000 3/31944 600.0 0.713 0.713 0.542 -0.000 -0.000 -0.000 3/31944 610.0 0.702 0.702 0.533 -0.000 -0.000 -0.000 3/31944 620.0 0.690 0.690 0.524 -0.000 -0.000 -0.000 3/31944 630.0 0.680 0.680 0.516 -0.000 -0.000 -0.000 3/31944 640.0 0.669 0.669 0.508 -0.000 -0.000 -0.000 3/31944 650.0 0.659 0.659 0.500 -0.000 -0.000 -0.000 3/31944 660.0 0.649 0.649 0.492 -0.000 -0.000 -0.000 3/31944 670.0 0.639 0.639 0.485 -0.000 -0.000 -0.000 3/31944 680.0 0.630 0.630 0.478 -0.000 -0.000 -0.000 3/31944 690.0 0.621 0.621 0.471 -0.000 -0.000 -0.000 3/31944 700.0 0.612 0.612 0.464 -0.000 -0.000 -0.000 3/31944 710.0 0.604 0.604 0.458 -0.000 -0.000 -0.000 3/31944 720.0 0.595 0.595 0.451 -0.000 -0.000 -0.000 3/31944 730.0 0.587 0.587 0.445 -0.000 -0.000 -0.000 3/31944 740.0 0.579 0.579 0.439 -0.000 -0.000 -0.000 3/31944 750.0 0.572 0.572 0.433 -0.000 -0.000 -0.000 3/31944 760.0 0.564 0.564 0.428 -0.000 -0.000 -0.000 3/31944 770.0 0.557 0.557 0.422 -0.000 -0.000 -0.000 3/31944 780.0 0.550 0.550 0.417 -0.000 -0.000 -0.000 3/31944 790.0 0.543 0.543 0.411 -0.000 -0.000 -0.000 3/31944 800.0 0.536 0.536 0.406 -0.000 -0.000 -0.000 3/31944 810.0 0.529 0.529 0.401 -0.000 -0.000 -0.000 3/31944 820.0 0.523 0.523 0.396 -0.000 -0.000 -0.000 3/31944 830.0 0.517 0.517 0.392 -0.000 -0.000 -0.000 3/31944 840.0 0.511 0.511 0.387 -0.000 -0.000 -0.000 3/31944 850.0 0.505 0.505 0.382 -0.000 -0.000 -0.000 3/31944 860.0 0.499 0.499 0.378 -0.000 -0.000 -0.000 3/31944 870.0 0.493 0.493 0.374 -0.000 -0.000 -0.000 3/31944 880.0 0.488 0.488 0.369 -0.000 -0.000 -0.000 3/31944 890.0 0.482 0.482 0.365 -0.000 -0.000 -0.000 3/31944 900.0 0.477 0.477 0.361 -0.000 -0.000 -0.000 3/31944 910.0 0.472 0.472 0.357 -0.000 -0.000 -0.000 3/31944 920.0 0.466 0.466 0.353 -0.000 -0.000 -0.000 3/31944 930.0 0.461 0.461 0.350 -0.000 -0.000 -0.000 3/31944 940.0 0.457 0.457 0.346 -0.000 -0.000 -0.000 3/31944 950.0 0.452 0.452 0.342 -0.000 -0.000 -0.000 3/31944 960.0 0.447 0.447 0.339 -0.000 -0.000 -0.000 3/31944 970.0 0.443 0.443 0.335 -0.000 -0.000 -0.000 3/31944 980.0 0.438 0.438 0.332 -0.000 -0.000 -0.000 3/31944 990.0 0.434 0.434 0.328 -0.000 -0.000 -0.000 3/31944 1000.0 0.429 0.429 0.325 -0.000 -0.000 -0.000 3/31944 Thermal conductivity related properties were written into "kappa-m111111.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:23:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|