----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:25:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 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 2.962830596759598 1.710591042602410 7.037117646666658 b -2.962830596759593 1.710591042602410 7.037117646666658 c 0.000000000000003 -3.421182085204826 7.037117646666658 Atomic positions (fractional): *1 K 0.09066695950286 0.09066695950286 0.09066695950286 39.098 2 K 0.90933304049714 0.90933304049714 0.90933304049714 39.098 *3 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 *4 As 0.75516863613503 0.75516863613503 0.75516863613503 74.922 5 As 0.24483136386497 0.24483136386498 0.24483136386497 74.922 *6 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 7 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 8 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.925661193519192 0.000000000000000 0.000000000000000 b -2.962830596759596 5.131773127807237 0.000000000000000 c 0.000000000000000 0.000000000000000 21.111352939999996 Atomic positions (fractional): *1 K 0.33333333333333 0.66666666666667 0.75733362616953 39.098 > 1 2 K 0.00000000000000 0.00000000000000 0.90933304049714 39.098 > 2 *3 K 0.66666666666667 0.33333333333333 0.83333333333333 39.098 > 3 4 K 0.00000000000000 0.00000000000000 0.09066695950286 39.098 > 1 5 K 0.66666666666667 0.33333333333333 0.24266637383047 39.098 > 2 6 K 0.33333333333333 0.66666666666667 0.16666666666667 39.098 > 3 7 K 0.66666666666667 0.33333333333333 0.42400029283619 39.098 > 1 8 K 0.33333333333333 0.66666666666667 0.57599970716381 39.098 > 2 9 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 3 *10 As 0.00000000000000 0.00000000000000 0.75516863613503 74.922 > 4 11 As 0.33333333333333 0.66666666666667 0.91149803053164 74.922 > 5 12 As 0.66666666666667 0.33333333333333 0.08850196946836 74.922 > 4 13 As 0.00000000000000 0.00000000000000 0.24483136386497 74.922 > 5 14 As 0.33333333333333 0.66666666666667 0.42183530280169 74.922 > 4 15 As 0.66666666666667 0.33333333333333 0.57816469719831 74.922 > 5 *16 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 > 6 17 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 > 7 18 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 8 19 Ag 0.16666666666667 0.33333333333333 0.33333333333333 107.868 > 6 20 Ag 0.66666666666667 0.83333333333333 0.33333333333333 107.868 > 7 21 Ag 0.16666666666667 0.83333333333333 0.33333333333333 107.868 > 8 22 Ag 0.83333333333333 0.66666666666667 0.66666666666667 107.868 > 6 23 Ag 0.33333333333333 0.16666666666667 0.66666666666667 107.868 > 7 24 Ag 0.83333333333333 0.16666666666667 0.66666666666667 107.868 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.851322387038383 0.000000000000000 0.000000000000000 b -5.925661193519192 10.263546255614473 0.000000000000000 c 0.000000000000000 0.000000000000000 21.111352939999996 Atomic positions (fractional): *1 K 0.16666666666667 0.33333333333333 0.75733362616953 39.098 > 1 2 K 0.66666666666667 0.33333333333333 0.75733362616953 39.098 > 1 3 K 0.16666666666667 0.83333333333333 0.75733362616953 39.098 > 1 4 K 0.66666666666667 0.83333333333333 0.75733362616953 39.098 > 1 5 K 0.00000000000000 0.00000000000000 0.90933304049714 39.098 > 2 6 K 0.50000000000000 0.00000000000000 0.90933304049714 39.098 > 2 7 K 0.00000000000000 0.50000000000000 0.90933304049714 39.098 > 2 8 K 0.50000000000000 0.50000000000000 0.90933304049714 39.098 > 2 *9 K 0.33333333333333 0.16666666666667 0.83333333333333 39.098 > 3 10 K 0.83333333333333 0.16666666666667 0.83333333333333 39.098 > 3 11 K 0.33333333333333 0.66666666666667 0.83333333333333 39.098 > 3 12 K 0.83333333333333 0.66666666666667 0.83333333333333 39.098 > 3 13 K 0.00000000000000 0.00000000000000 0.09066695950286 39.098 > 1 14 K 0.50000000000000 0.00000000000000 0.09066695950286 39.098 > 1 15 K 0.00000000000000 0.50000000000000 0.09066695950286 39.098 > 1 16 K 0.50000000000000 0.50000000000000 0.09066695950286 39.098 > 1 17 K 0.33333333333333 0.16666666666667 0.24266637383047 39.098 > 2 18 K 0.83333333333333 0.16666666666667 0.24266637383047 39.098 > 2 19 K 0.33333333333333 0.66666666666667 0.24266637383047 39.098 > 2 20 K 0.83333333333333 0.66666666666667 0.24266637383047 39.098 > 2 21 K 0.16666666666667 0.33333333333333 0.16666666666667 39.098 > 3 22 K 0.66666666666667 0.33333333333333 0.16666666666667 39.098 > 3 23 K 0.16666666666667 0.83333333333333 0.16666666666667 39.098 > 3 24 K 0.66666666666667 0.83333333333333 0.16666666666667 39.098 > 3 25 K 0.33333333333333 0.16666666666667 0.42400029283619 39.098 > 1 26 K 0.83333333333333 0.16666666666667 0.42400029283619 39.098 > 1 27 K 0.33333333333333 0.66666666666667 0.42400029283619 39.098 > 1 28 K 0.83333333333333 0.66666666666667 0.42400029283619 39.098 > 1 29 K 0.16666666666667 0.33333333333333 0.57599970716381 39.098 > 2 30 K 0.66666666666667 0.33333333333333 0.57599970716381 39.098 > 2 31 K 0.16666666666667 0.83333333333333 0.57599970716381 39.098 > 2 32 K 0.66666666666667 0.83333333333333 0.57599970716381 39.098 > 2 33 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 3 34 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 3 35 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 3 36 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 3 *37 As 0.00000000000000 0.00000000000000 0.75516863613503 74.922 > 4 38 As 0.50000000000000 0.00000000000000 0.75516863613503 74.922 > 4 39 As 0.00000000000000 0.50000000000000 0.75516863613503 74.922 > 4 40 As 0.50000000000000 0.50000000000000 0.75516863613503 74.922 > 4 41 As 0.16666666666667 0.33333333333333 0.91149803053164 74.922 > 5 42 As 0.66666666666667 0.33333333333333 0.91149803053164 74.922 > 5 43 As 0.16666666666667 0.83333333333333 0.91149803053164 74.922 > 5 44 As 0.66666666666667 0.83333333333333 0.91149803053164 74.922 > 5 45 As 0.33333333333333 0.16666666666667 0.08850196946836 74.922 > 4 46 As 0.83333333333333 0.16666666666667 0.08850196946836 74.922 > 4 47 As 0.33333333333333 0.66666666666667 0.08850196946836 74.922 > 4 48 As 0.83333333333333 0.66666666666667 0.08850196946836 74.922 > 4 49 As 0.00000000000000 0.00000000000000 0.24483136386497 74.922 > 5 50 As 0.50000000000000 0.00000000000000 0.24483136386497 74.922 > 5 51 As 0.00000000000000 0.50000000000000 0.24483136386497 74.922 > 5 52 As 0.50000000000000 0.50000000000000 0.24483136386497 74.922 > 5 53 As 0.16666666666667 0.33333333333333 0.42183530280169 74.922 > 4 54 As 0.66666666666667 0.33333333333333 0.42183530280169 74.922 > 4 55 As 0.16666666666667 0.83333333333333 0.42183530280169 74.922 > 4 56 As 0.66666666666667 0.83333333333333 0.42183530280169 74.922 > 4 57 As 0.33333333333333 0.16666666666667 0.57816469719831 74.922 > 5 58 As 0.83333333333333 0.16666666666667 0.57816469719831 74.922 > 5 59 As 0.33333333333333 0.66666666666667 0.57816469719831 74.922 > 5 60 As 0.83333333333333 0.66666666666667 0.57816469719831 74.922 > 5 *61 Ag 0.25000000000000 0.00000000000000 0.00000000000000 107.868 > 6 62 Ag 0.75000000000000 0.00000000000000 0.00000000000000 107.868 > 6 63 Ag 0.25000000000000 0.50000000000000 0.00000000000000 107.868 > 6 64 Ag 0.75000000000000 0.50000000000000 0.00000000000000 107.868 > 6 65 Ag 0.00000000000000 0.25000000000000 0.00000000000000 107.868 > 7 66 Ag 0.50000000000000 0.25000000000000 0.00000000000000 107.868 > 7 67 Ag 0.00000000000000 0.75000000000000 0.00000000000000 107.868 > 7 68 Ag 0.50000000000000 0.75000000000000 0.00000000000000 107.868 > 7 69 Ag 0.25000000000000 0.25000000000000 0.00000000000000 107.868 > 8 70 Ag 0.75000000000000 0.25000000000000 0.00000000000000 107.868 > 8 71 Ag 0.25000000000000 0.75000000000000 0.00000000000000 107.868 > 8 72 Ag 0.75000000000000 0.75000000000000 0.00000000000000 107.868 > 8 73 Ag 0.08333333333333 0.16666666666667 0.33333333333333 107.868 > 6 74 Ag 0.58333333333333 0.16666666666667 0.33333333333333 107.868 > 6 75 Ag 0.08333333333333 0.66666666666667 0.33333333333333 107.868 > 6 76 Ag 0.58333333333333 0.66666666666667 0.33333333333333 107.868 > 6 77 Ag 0.33333333333333 0.41666666666667 0.33333333333333 107.868 > 7 78 Ag 0.83333333333333 0.41666666666667 0.33333333333333 107.868 > 7 79 Ag 0.33333333333333 0.91666666666667 0.33333333333333 107.868 > 7 80 Ag 0.83333333333333 0.91666666666667 0.33333333333333 107.868 > 7 81 Ag 0.08333333333333 0.41666666666667 0.33333333333333 107.868 > 8 82 Ag 0.58333333333333 0.41666666666667 0.33333333333333 107.868 > 8 83 Ag 0.08333333333333 0.91666666666667 0.33333333333333 107.868 > 8 84 Ag 0.58333333333333 0.91666666666667 0.33333333333333 107.868 > 8 85 Ag 0.41666666666667 0.33333333333333 0.66666666666667 107.868 > 6 86 Ag 0.91666666666667 0.33333333333333 0.66666666666667 107.868 > 6 87 Ag 0.41666666666667 0.83333333333333 0.66666666666667 107.868 > 6 88 Ag 0.91666666666667 0.83333333333333 0.66666666666667 107.868 > 6 89 Ag 0.16666666666667 0.08333333333333 0.66666666666667 107.868 > 7 90 Ag 0.66666666666667 0.08333333333333 0.66666666666667 107.868 > 7 91 Ag 0.16666666666667 0.58333333333333 0.66666666666667 107.868 > 7 92 Ag 0.66666666666667 0.58333333333333 0.66666666666667 107.868 > 7 93 Ag 0.41666666666667 0.08333333333333 0.66666666666667 107.868 > 8 94 Ag 0.91666666666667 0.08333333333333 0.66666666666667 107.868 > 8 95 Ag 0.41666666666667 0.58333333333333 0.66666666666667 107.868 > 8 96 Ag 0.91666666666667 0.58333333333333 0.66666666666667 107.868 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.7775289 -0.0000000 0.0000000 0.0000000 11.7775289 0.0000000 0.0000000 0.0000000 6.7681281 -------------------------- Born effective charges -------------------------- 1 K 1.0607784 0.0000000 0.0000000 0.0000000 1.0607784 0.0000000 0.0000000 0.0000000 1.1950197 2 K 1.0607784 0.0000000 0.0000000 0.0000000 1.0607784 0.0000000 0.0000000 0.0000000 1.1950197 3 K 1.3397392 0.0000000 0.0000000 -0.0000000 1.3397392 0.0000000 0.0000000 0.0000000 1.6465524 4 As -2.2365055 -0.0000000 0.0000000 -0.0000000 -2.2365055 0.0000000 0.0000000 0.0000000 -2.4210247 5 As -2.2365055 -0.0000000 0.0000000 -0.0000000 -2.2365055 0.0000000 0.0000000 0.0000000 -2.4210247 6 Ag -0.3832019 -0.0000000 0.0000000 0.0000000 1.0576785 1.6922095 0.0000000 0.3953311 0.2684858 7 Ag 0.6974584 0.6239195 -1.4654964 0.6239195 -0.0229818 -0.8461047 -0.3423668 -0.1976656 0.2684858 8 Ag 0.6974584 -0.6239195 1.4654964 -0.6239195 -0.0229818 -0.8461047 0.3423668 -0.1976656 0.2684858 ---------------------------------------------------------------------------- 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: 298 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): 0.005 Solver_block: 80 / 80 - Time: 0.195 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.202 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) 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: 298 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 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:25:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:25:38]------------------------- 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 2.962830596759598 1.710591042602410 7.037117646666658 b -2.962830596759593 1.710591042602410 7.037117646666658 c 0.000000000000003 -3.421182085204826 7.037117646666658 Atomic positions (fractional): 1 K 0.09066695950286 0.09066695950286 0.09066695950286 39.098 2 K 0.90933304049714 0.90933304049714 0.90933304049714 39.098 3 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 4 As 0.75516863613503 0.75516863613503 0.75516863613503 74.922 5 As 0.24483136386497 0.24483136386498 0.24483136386497 74.922 6 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 7 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 8 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.851322387038383 0.000000000000000 0.000000000000000 b -5.925661193519192 10.263546255614473 0.000000000000000 c 0.000000000000000 0.000000000000000 21.111352939999996 Atomic positions (fractional): 1 K 0.16666666666667 0.33333333333333 0.75733362616953 39.098 > 1 2 K 0.66666666666667 0.33333333333333 0.75733362616953 39.098 > 1 3 K 0.16666666666667 0.83333333333333 0.75733362616953 39.098 > 1 4 K 0.66666666666667 0.83333333333333 0.75733362616953 39.098 > 1 5 K 0.00000000000000 0.00000000000000 0.90933304049714 39.098 > 5 6 K 0.50000000000000 0.00000000000000 0.90933304049714 39.098 > 5 7 K 0.00000000000000 0.50000000000000 0.90933304049714 39.098 > 5 8 K 0.50000000000000 0.50000000000000 0.90933304049714 39.098 > 5 9 K 0.33333333333333 0.16666666666667 0.83333333333333 39.098 > 9 10 K 0.83333333333333 0.16666666666667 0.83333333333333 39.098 > 9 11 K 0.33333333333333 0.66666666666667 0.83333333333333 39.098 > 9 12 K 0.83333333333333 0.66666666666667 0.83333333333333 39.098 > 9 13 K 0.00000000000000 0.00000000000000 0.09066695950286 39.098 > 1 14 K 0.50000000000000 0.00000000000000 0.09066695950286 39.098 > 1 15 K 0.00000000000000 0.50000000000000 0.09066695950286 39.098 > 1 16 K 0.50000000000000 0.50000000000000 0.09066695950286 39.098 > 1 17 K 0.33333333333333 0.16666666666667 0.24266637383047 39.098 > 5 18 K 0.83333333333333 0.16666666666667 0.24266637383047 39.098 > 5 19 K 0.33333333333333 0.66666666666667 0.24266637383047 39.098 > 5 20 K 0.83333333333333 0.66666666666667 0.24266637383047 39.098 > 5 21 K 0.16666666666667 0.33333333333333 0.16666666666667 39.098 > 9 22 K 0.66666666666667 0.33333333333333 0.16666666666667 39.098 > 9 23 K 0.16666666666667 0.83333333333333 0.16666666666667 39.098 > 9 24 K 0.66666666666667 0.83333333333333 0.16666666666667 39.098 > 9 25 K 0.33333333333333 0.16666666666667 0.42400029283619 39.098 > 1 26 K 0.83333333333333 0.16666666666667 0.42400029283619 39.098 > 1 27 K 0.33333333333333 0.66666666666667 0.42400029283619 39.098 > 1 28 K 0.83333333333333 0.66666666666667 0.42400029283619 39.098 > 1 29 K 0.16666666666667 0.33333333333333 0.57599970716381 39.098 > 5 30 K 0.66666666666667 0.33333333333333 0.57599970716381 39.098 > 5 31 K 0.16666666666667 0.83333333333333 0.57599970716381 39.098 > 5 32 K 0.66666666666667 0.83333333333333 0.57599970716381 39.098 > 5 33 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 9 34 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 9 35 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 9 36 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 9 37 As 0.00000000000000 0.00000000000000 0.75516863613503 74.922 > 37 38 As 0.50000000000000 0.00000000000000 0.75516863613503 74.922 > 37 39 As 0.00000000000000 0.50000000000000 0.75516863613503 74.922 > 37 40 As 0.50000000000000 0.50000000000000 0.75516863613503 74.922 > 37 41 As 0.16666666666667 0.33333333333333 0.91149803053164 74.922 > 41 42 As 0.66666666666667 0.33333333333333 0.91149803053164 74.922 > 41 43 As 0.16666666666667 0.83333333333333 0.91149803053164 74.922 > 41 44 As 0.66666666666667 0.83333333333333 0.91149803053164 74.922 > 41 45 As 0.33333333333333 0.16666666666667 0.08850196946836 74.922 > 37 46 As 0.83333333333333 0.16666666666667 0.08850196946836 74.922 > 37 47 As 0.33333333333333 0.66666666666667 0.08850196946836 74.922 > 37 48 As 0.83333333333333 0.66666666666667 0.08850196946836 74.922 > 37 49 As 0.00000000000000 0.00000000000000 0.24483136386497 74.922 > 41 50 As 0.50000000000000 0.00000000000000 0.24483136386497 74.922 > 41 51 As 0.00000000000000 0.50000000000000 0.24483136386497 74.922 > 41 52 As 0.50000000000000 0.50000000000000 0.24483136386497 74.922 > 41 53 As 0.16666666666667 0.33333333333333 0.42183530280169 74.922 > 37 54 As 0.66666666666667 0.33333333333333 0.42183530280169 74.922 > 37 55 As 0.16666666666667 0.83333333333333 0.42183530280169 74.922 > 37 56 As 0.66666666666667 0.83333333333333 0.42183530280169 74.922 > 37 57 As 0.33333333333333 0.16666666666667 0.57816469719831 74.922 > 41 58 As 0.83333333333333 0.16666666666667 0.57816469719831 74.922 > 41 59 As 0.33333333333333 0.66666666666667 0.57816469719831 74.922 > 41 60 As 0.83333333333333 0.66666666666667 0.57816469719831 74.922 > 41 61 Ag 0.25000000000000 0.00000000000000 0.00000000000000 107.868 > 61 62 Ag 0.75000000000000 0.00000000000000 0.00000000000000 107.868 > 61 63 Ag 0.25000000000000 0.50000000000000 0.00000000000000 107.868 > 61 64 Ag 0.75000000000000 0.50000000000000 0.00000000000000 107.868 > 61 65 Ag 0.00000000000000 0.25000000000000 0.00000000000000 107.868 > 65 66 Ag 0.50000000000000 0.25000000000000 0.00000000000000 107.868 > 65 67 Ag 0.00000000000000 0.75000000000000 0.00000000000000 107.868 > 65 68 Ag 0.50000000000000 0.75000000000000 0.00000000000000 107.868 > 65 69 Ag 0.25000000000000 0.25000000000000 0.00000000000000 107.868 > 69 70 Ag 0.75000000000000 0.25000000000000 0.00000000000000 107.868 > 69 71 Ag 0.25000000000000 0.75000000000000 0.00000000000000 107.868 > 69 72 Ag 0.75000000000000 0.75000000000000 0.00000000000000 107.868 > 69 73 Ag 0.08333333333333 0.16666666666667 0.33333333333333 107.868 > 61 74 Ag 0.58333333333333 0.16666666666667 0.33333333333333 107.868 > 61 75 Ag 0.08333333333333 0.66666666666667 0.33333333333333 107.868 > 61 76 Ag 0.58333333333333 0.66666666666667 0.33333333333333 107.868 > 61 77 Ag 0.33333333333333 0.41666666666667 0.33333333333333 107.868 > 65 78 Ag 0.83333333333333 0.41666666666667 0.33333333333333 107.868 > 65 79 Ag 0.33333333333333 0.91666666666667 0.33333333333333 107.868 > 65 80 Ag 0.83333333333333 0.91666666666667 0.33333333333333 107.868 > 65 81 Ag 0.08333333333333 0.41666666666667 0.33333333333333 107.868 > 69 82 Ag 0.58333333333333 0.41666666666667 0.33333333333333 107.868 > 69 83 Ag 0.08333333333333 0.91666666666667 0.33333333333333 107.868 > 69 84 Ag 0.58333333333333 0.91666666666667 0.33333333333333 107.868 > 69 85 Ag 0.41666666666667 0.33333333333333 0.66666666666667 107.868 > 61 86 Ag 0.91666666666667 0.33333333333333 0.66666666666667 107.868 > 61 87 Ag 0.41666666666667 0.83333333333333 0.66666666666667 107.868 > 61 88 Ag 0.91666666666667 0.83333333333333 0.66666666666667 107.868 > 61 89 Ag 0.16666666666667 0.08333333333333 0.66666666666667 107.868 > 65 90 Ag 0.66666666666667 0.08333333333333 0.66666666666667 107.868 > 65 91 Ag 0.16666666666667 0.58333333333333 0.66666666666667 107.868 > 65 92 Ag 0.66666666666667 0.58333333333333 0.66666666666667 107.868 > 65 93 Ag 0.41666666666667 0.08333333333333 0.66666666666667 107.868 > 69 94 Ag 0.91666666666667 0.08333333333333 0.66666666666667 107.868 > 69 95 Ag 0.41666666666667 0.58333333333333 0.66666666666667 107.868 > 69 96 Ag 0.91666666666667 0.58333333333333 0.66666666666667 107.868 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.7775289 -0.0000000 0.0000000 0.0000000 11.7775289 0.0000000 0.0000000 0.0000000 6.7681281 -------------------------- Born effective charges -------------------------- 1 K 1.0607784 0.0000000 0.0000000 0.0000000 1.0607784 0.0000000 0.0000000 0.0000000 1.1950197 2 K 1.0607784 0.0000000 0.0000000 0.0000000 1.0607784 0.0000000 0.0000000 0.0000000 1.1950197 3 K 1.3397392 0.0000000 0.0000000 -0.0000000 1.3397392 0.0000000 0.0000000 0.0000000 1.6465524 4 As -2.2365055 -0.0000000 0.0000000 -0.0000000 -2.2365055 0.0000000 0.0000000 0.0000000 -2.4210247 5 As -2.2365055 -0.0000000 0.0000000 -0.0000000 -2.2365055 0.0000000 0.0000000 0.0000000 -2.4210247 6 Ag -0.3832019 -0.0000000 0.0000000 0.0000000 1.0576785 1.6922095 0.0000000 0.3953311 0.2684858 7 Ag 0.6974584 0.6239195 -1.4654964 0.6239195 -0.0229818 -0.8461047 -0.3423668 -0.1976656 0.2684858 8 Ag 0.6974584 -0.6239195 1.4654964 -0.6239195 -0.0229818 -0.8461047 0.3423668 -0.1976656 0.2684858 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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 (zzz) -0.00000002 (zzz) -0.00000002 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:25:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:25:44]------------------------- 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 2.962830596759598 1.710591042602410 7.037117646666658 b -2.962830596759593 1.710591042602410 7.037117646666658 c 0.000000000000003 -3.421182085204826 7.037117646666658 Atomic positions (fractional): 1 K 0.09066695950286 0.09066695950286 0.09066695950286 39.098 2 K 0.90933304049714 0.90933304049714 0.90933304049714 39.098 3 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 4 As 0.75516863613503 0.75516863613503 0.75516863613503 74.922 5 As 0.24483136386497 0.24483136386498 0.24483136386497 74.922 6 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 7 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 8 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.851322387038383 0.000000000000000 0.000000000000000 b -5.925661193519192 10.263546255614473 0.000000000000000 c 0.000000000000000 0.000000000000000 21.111352939999996 Atomic positions (fractional): 1 K 0.16666666666667 0.33333333333333 0.75733362616953 39.098 > 1 2 K 0.66666666666667 0.33333333333333 0.75733362616953 39.098 > 1 3 K 0.16666666666667 0.83333333333333 0.75733362616953 39.098 > 1 4 K 0.66666666666667 0.83333333333333 0.75733362616953 39.098 > 1 5 K 0.00000000000000 0.00000000000000 0.90933304049714 39.098 > 5 6 K 0.50000000000000 0.00000000000000 0.90933304049714 39.098 > 5 7 K 0.00000000000000 0.50000000000000 0.90933304049714 39.098 > 5 8 K 0.50000000000000 0.50000000000000 0.90933304049714 39.098 > 5 9 K 0.33333333333333 0.16666666666667 0.83333333333333 39.098 > 9 10 K 0.83333333333333 0.16666666666667 0.83333333333333 39.098 > 9 11 K 0.33333333333333 0.66666666666667 0.83333333333333 39.098 > 9 12 K 0.83333333333333 0.66666666666667 0.83333333333333 39.098 > 9 13 K 0.00000000000000 0.00000000000000 0.09066695950286 39.098 > 1 14 K 0.50000000000000 0.00000000000000 0.09066695950286 39.098 > 1 15 K 0.00000000000000 0.50000000000000 0.09066695950286 39.098 > 1 16 K 0.50000000000000 0.50000000000000 0.09066695950286 39.098 > 1 17 K 0.33333333333333 0.16666666666667 0.24266637383047 39.098 > 5 18 K 0.83333333333333 0.16666666666667 0.24266637383047 39.098 > 5 19 K 0.33333333333333 0.66666666666667 0.24266637383047 39.098 > 5 20 K 0.83333333333333 0.66666666666667 0.24266637383047 39.098 > 5 21 K 0.16666666666667 0.33333333333333 0.16666666666667 39.098 > 9 22 K 0.66666666666667 0.33333333333333 0.16666666666667 39.098 > 9 23 K 0.16666666666667 0.83333333333333 0.16666666666667 39.098 > 9 24 K 0.66666666666667 0.83333333333333 0.16666666666667 39.098 > 9 25 K 0.33333333333333 0.16666666666667 0.42400029283619 39.098 > 1 26 K 0.83333333333333 0.16666666666667 0.42400029283619 39.098 > 1 27 K 0.33333333333333 0.66666666666667 0.42400029283619 39.098 > 1 28 K 0.83333333333333 0.66666666666667 0.42400029283619 39.098 > 1 29 K 0.16666666666667 0.33333333333333 0.57599970716381 39.098 > 5 30 K 0.66666666666667 0.33333333333333 0.57599970716381 39.098 > 5 31 K 0.16666666666667 0.83333333333333 0.57599970716381 39.098 > 5 32 K 0.66666666666667 0.83333333333333 0.57599970716381 39.098 > 5 33 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 9 34 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 9 35 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 9 36 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 9 37 As 0.00000000000000 0.00000000000000 0.75516863613503 74.922 > 37 38 As 0.50000000000000 0.00000000000000 0.75516863613503 74.922 > 37 39 As 0.00000000000000 0.50000000000000 0.75516863613503 74.922 > 37 40 As 0.50000000000000 0.50000000000000 0.75516863613503 74.922 > 37 41 As 0.16666666666667 0.33333333333333 0.91149803053164 74.922 > 41 42 As 0.66666666666667 0.33333333333333 0.91149803053164 74.922 > 41 43 As 0.16666666666667 0.83333333333333 0.91149803053164 74.922 > 41 44 As 0.66666666666667 0.83333333333333 0.91149803053164 74.922 > 41 45 As 0.33333333333333 0.16666666666667 0.08850196946836 74.922 > 37 46 As 0.83333333333333 0.16666666666667 0.08850196946836 74.922 > 37 47 As 0.33333333333333 0.66666666666667 0.08850196946836 74.922 > 37 48 As 0.83333333333333 0.66666666666667 0.08850196946836 74.922 > 37 49 As 0.00000000000000 0.00000000000000 0.24483136386497 74.922 > 41 50 As 0.50000000000000 0.00000000000000 0.24483136386497 74.922 > 41 51 As 0.00000000000000 0.50000000000000 0.24483136386497 74.922 > 41 52 As 0.50000000000000 0.50000000000000 0.24483136386497 74.922 > 41 53 As 0.16666666666667 0.33333333333333 0.42183530280169 74.922 > 37 54 As 0.66666666666667 0.33333333333333 0.42183530280169 74.922 > 37 55 As 0.16666666666667 0.83333333333333 0.42183530280169 74.922 > 37 56 As 0.66666666666667 0.83333333333333 0.42183530280169 74.922 > 37 57 As 0.33333333333333 0.16666666666667 0.57816469719831 74.922 > 41 58 As 0.83333333333333 0.16666666666667 0.57816469719831 74.922 > 41 59 As 0.33333333333333 0.66666666666667 0.57816469719831 74.922 > 41 60 As 0.83333333333333 0.66666666666667 0.57816469719831 74.922 > 41 61 Ag 0.25000000000000 0.00000000000000 0.00000000000000 107.868 > 61 62 Ag 0.75000000000000 0.00000000000000 0.00000000000000 107.868 > 61 63 Ag 0.25000000000000 0.50000000000000 0.00000000000000 107.868 > 61 64 Ag 0.75000000000000 0.50000000000000 0.00000000000000 107.868 > 61 65 Ag 0.00000000000000 0.25000000000000 0.00000000000000 107.868 > 65 66 Ag 0.50000000000000 0.25000000000000 0.00000000000000 107.868 > 65 67 Ag 0.00000000000000 0.75000000000000 0.00000000000000 107.868 > 65 68 Ag 0.50000000000000 0.75000000000000 0.00000000000000 107.868 > 65 69 Ag 0.25000000000000 0.25000000000000 0.00000000000000 107.868 > 69 70 Ag 0.75000000000000 0.25000000000000 0.00000000000000 107.868 > 69 71 Ag 0.25000000000000 0.75000000000000 0.00000000000000 107.868 > 69 72 Ag 0.75000000000000 0.75000000000000 0.00000000000000 107.868 > 69 73 Ag 0.08333333333333 0.16666666666667 0.33333333333333 107.868 > 61 74 Ag 0.58333333333333 0.16666666666667 0.33333333333333 107.868 > 61 75 Ag 0.08333333333333 0.66666666666667 0.33333333333333 107.868 > 61 76 Ag 0.58333333333333 0.66666666666667 0.33333333333333 107.868 > 61 77 Ag 0.33333333333333 0.41666666666667 0.33333333333333 107.868 > 65 78 Ag 0.83333333333333 0.41666666666667 0.33333333333333 107.868 > 65 79 Ag 0.33333333333333 0.91666666666667 0.33333333333333 107.868 > 65 80 Ag 0.83333333333333 0.91666666666667 0.33333333333333 107.868 > 65 81 Ag 0.08333333333333 0.41666666666667 0.33333333333333 107.868 > 69 82 Ag 0.58333333333333 0.41666666666667 0.33333333333333 107.868 > 69 83 Ag 0.08333333333333 0.91666666666667 0.33333333333333 107.868 > 69 84 Ag 0.58333333333333 0.91666666666667 0.33333333333333 107.868 > 69 85 Ag 0.41666666666667 0.33333333333333 0.66666666666667 107.868 > 61 86 Ag 0.91666666666667 0.33333333333333 0.66666666666667 107.868 > 61 87 Ag 0.41666666666667 0.83333333333333 0.66666666666667 107.868 > 61 88 Ag 0.91666666666667 0.83333333333333 0.66666666666667 107.868 > 61 89 Ag 0.16666666666667 0.08333333333333 0.66666666666667 107.868 > 65 90 Ag 0.66666666666667 0.08333333333333 0.66666666666667 107.868 > 65 91 Ag 0.16666666666667 0.58333333333333 0.66666666666667 107.868 > 65 92 Ag 0.66666666666667 0.58333333333333 0.66666666666667 107.868 > 65 93 Ag 0.41666666666667 0.08333333333333 0.66666666666667 107.868 > 69 94 Ag 0.91666666666667 0.08333333333333 0.66666666666667 107.868 > 69 95 Ag 0.41666666666667 0.58333333333333 0.66666666666667 107.868 > 69 96 Ag 0.91666666666667 0.58333333333333 0.66666666666667 107.868 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 11.7775289 -0.0000000 0.0000000 0.0000000 11.7775289 0.0000000 0.0000000 0.0000000 6.7681281 -------------------------- Born effective charges -------------------------- 1 K 1.0607784 0.0000000 0.0000000 0.0000000 1.0607784 0.0000000 0.0000000 0.0000000 1.1950197 2 K 1.0607784 0.0000000 0.0000000 0.0000000 1.0607784 0.0000000 0.0000000 0.0000000 1.1950197 3 K 1.3397392 0.0000000 0.0000000 -0.0000000 1.3397392 0.0000000 0.0000000 0.0000000 1.6465524 4 As -2.2365055 -0.0000000 0.0000000 -0.0000000 -2.2365055 0.0000000 0.0000000 0.0000000 -2.4210247 5 As -2.2365055 -0.0000000 0.0000000 -0.0000000 -2.2365055 0.0000000 0.0000000 0.0000000 -2.4210247 6 Ag -0.3832019 -0.0000000 0.0000000 0.0000000 1.0576785 1.6922095 0.0000000 0.3953311 0.2684858 7 Ag 0.6974584 0.6239195 -1.4654964 0.6239195 -0.0229818 -0.8461047 -0.3423668 -0.1976656 0.2684858 8 Ag 0.6974584 -0.6239195 1.4654964 -0.6239195 -0.0229818 -0.8461047 0.3423668 -0.1976656 0.2684858 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (zzz) -0.00000002 (zzz) -0.00000002 (zzz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.69, Number of G-points: 291, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/116) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 116 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 1.939 ( 0.000 0.000 0.000) 0.000 1.939 ( 0.000 0.000 0.000) 0.000 2.140 ( 0.000 0.000 0.000) 0.000 2.206 ( 0.000 0.000 0.000) 0.000 2.207 ( 0.000 0.000 0.000) 0.000 2.207 ( 0.000 0.000 0.000) 0.000 2.830 ( 0.000 0.000 0.000) 0.000 2.830 ( 0.000 0.000 0.000) 0.000 3.083 ( 0.000 0.000 0.000) 0.000 3.083 ( 0.000 0.000 0.000) 0.000 3.171 ( 0.000 0.000 0.000) 0.000 3.569 ( 0.000 0.000 0.000) 0.000 3.809 ( 0.000 0.000 0.000) 0.000 3.809 ( 0.000 0.000 0.000) 0.000 3.940 ( 0.000 0.000 0.000) 0.000 4.281 ( 0.000 0.000 0.000) 0.000 4.281 ( 0.000 0.000 0.000) 0.000 5.720 ( 0.000 0.000 0.000) 0.000 5.720 ( 0.000 0.000 0.000) 0.000 5.931 ( 0.000 0.000 0.000) 0.000 7.309 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/116) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.350 ( 12.330 7.119 13.677) 19.742 0.405 ( 15.113 8.726 11.657) 20.986 0.582 ( 26.106 15.073 -3.523) 30.350 1.936 ( -0.252 -0.146 0.094) 0.306 1.940 ( -0.068 -0.039 -0.041) 0.088 2.085 ( -4.836 -2.792 0.163) 5.587 2.136 ( -4.910 -2.835 -3.859) 6.859 2.209 ( 0.281 0.162 -0.190) 0.376 2.420 ( -3.219 -1.859 3.612) 5.183 2.780 ( -3.454 -1.994 0.468) 4.016 2.810 ( -3.526 -2.036 0.719) 4.135 3.149 ( -0.322 -0.186 0.498) 0.622 3.193 ( 7.224 4.171 3.999) 9.251 3.199 ( 6.558 3.786 -2.922) 8.117 3.576 ( -0.017 -0.010 -1.931) 1.931 3.761 ( -3.525 -2.035 -2.254) 4.653 3.799 ( -3.285 -1.897 2.541) 4.566 3.961 ( 0.790 0.456 4.701) 4.789 4.293 ( 0.961 0.555 -0.214) 1.130 4.297 ( 1.343 0.776 -0.685) 1.696 5.720 ( -0.039 -0.023 0.078) 0.091 5.782 ( -8.415 -4.858 0.081) 9.717 6.154 ( 8.205 4.737 -4.410) 10.451 7.305 ( -2.051 -1.184 4.266) 4.879 ======================= Grid point 2 (3/116) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 11.489 6.633 12.098) 17.954 0.779 ( 13.527 7.810 8.566) 17.815 1.130 ( 23.714 13.691 -3.276) 27.578 1.925 ( -1.098 -0.634 -0.620) 1.412 1.931 ( -1.041 -0.601 -0.442) 1.281 1.959 ( -5.420 -3.129 -0.432) 6.273 1.988 ( -5.561 -3.210 -2.835) 7.019 2.215 ( 0.334 0.193 -0.536) 0.660 2.355 ( -3.642 -2.103 2.165) 4.730 2.698 ( -3.935 -2.272 0.188) 4.548 2.737 ( -3.392 -1.958 1.371) 4.149 3.114 ( -2.505 -1.446 1.507) 3.262 3.309 ( 2.530 1.460 -2.947) 4.149 3.392 ( 7.761 4.481 4.583) 10.066 3.575 ( 1.819 1.050 -6.725) 7.046 3.649 ( -4.798 -2.770 -2.246) 5.978 3.753 ( -0.505 -0.291 0.655) 0.877 4.011 ( 0.992 0.573 6.717) 6.814 4.314 ( 0.988 0.571 -1.190) 1.649 4.332 ( 2.110 1.218 -0.035) 2.437 5.584 ( -9.210 -5.318 0.569) 10.651 5.719 ( -0.130 -0.075 0.146) 0.210 6.315 ( 7.602 4.389 -3.104) 9.311 7.267 ( -2.767 -1.598 2.660) 4.158 ======================= Grid point 3 (4/116) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 10.751 6.207 9.831) 15.836 1.074 ( 9.669 5.582 2.949) 11.548 1.600 ( 18.363 10.602 -3.164) 21.439 1.839 ( -4.066 -2.348 -0.902) 4.781 1.840 ( -3.578 -2.066 -0.155) 4.134 1.905 ( -1.107 -0.639 -0.701) 1.458 1.938 ( -0.345 -0.199 1.318) 1.377 2.213 ( -0.333 -0.192 -1.397) 1.449 2.286 ( -2.909 -1.679 1.086) 3.530 2.605 ( -4.185 -2.416 -0.630) 4.873 2.663 ( -4.093 -2.363 1.374) 4.922 3.057 ( -3.275 -1.891 2.172) 4.361 3.288 ( -1.774 -1.024 -3.700) 4.230 3.477 ( -2.676 -1.545 -3.912) 4.985 3.581 ( 0.969 0.560 -3.392) 3.572 3.629 ( 4.495 2.595 6.463) 8.289 3.784 ( 2.506 1.447 -2.639) 3.916 4.051 ( -0.315 -0.182 5.685) 5.697 4.324 ( 0.596 0.344 -2.154) 2.261 4.414 ( 5.515 3.184 1.050) 6.455 5.375 ( -9.586 -5.534 0.416) 11.076 5.715 ( -0.216 -0.125 0.169) 0.301 6.464 ( 6.715 3.877 -2.465) 8.136 7.208 ( -3.330 -1.923 2.012) 4.340 ======================= Grid point 4 (5/116) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 3.174 1.832 -2.044) 4.196 1.252 ( 9.458 5.461 7.020) 12.983 1.733 ( -3.961 -2.287 -3.590) 5.815 1.771 ( -1.660 -0.958 -0.349) 1.948 1.823 ( 0.811 0.468 3.274) 3.405 1.958 ( 1.618 0.934 3.440) 3.914 2.055 ( 13.752 7.940 -1.257) 15.930 2.173 ( -2.515 -1.452 -3.392) 4.466 2.242 ( -1.366 -0.789 0.741) 1.743 2.517 ( -2.907 -1.678 -0.796) 3.450 2.551 ( -6.652 -3.840 1.115) 7.761 2.997 ( -2.510 -1.449 1.629) 3.324 3.234 ( -1.258 -0.726 -2.630) 3.005 3.388 ( -2.682 -1.548 -2.462) 3.956 3.597 ( 1.775 1.025 -2.706) 3.395 3.760 ( 3.568 2.060 4.417) 6.041 3.800 ( -0.508 -0.293 -0.602) 0.840 4.056 ( -0.698 -0.403 2.968) 3.075 4.322 ( 0.205 0.118 -1.943) 1.957 4.582 ( 8.079 4.665 1.071) 9.390 5.163 ( -8.976 -5.182 -0.005) 10.364 5.711 ( -0.179 -0.103 0.115) 0.237 6.585 ( 4.560 2.633 -1.540) 5.486 7.144 ( -2.781 -1.606 1.259) 3.449 ======================= Grid point 5 (6/116) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 0.000 0.000 0.000) 0.000 1.417 ( 0.000 0.000 0.000) 0.000 1.632 ( 0.000 0.000 0.000) 0.000 1.751 ( 0.000 0.000 0.000) 0.000 1.847 ( 0.000 0.000 0.000) 0.000 2.035 ( 0.000 0.000 -0.000) 0.000 2.087 ( 0.000 0.000 0.000) 0.000 2.224 ( 0.000 0.000 0.000) 0.000 2.294 ( 0.000 0.000 0.000) 0.000 2.405 ( 0.000 0.000 0.000) 0.000 2.481 ( 0.000 0.000 0.000) 0.000 2.971 ( 0.000 0.000 -0.000) 0.000 3.214 ( 0.000 0.000 0.000) 0.000 3.350 ( 0.000 0.000 0.000) 0.000 3.618 ( -0.000 -0.000 0.000) 0.000 3.783 ( 0.000 0.000 0.000) 0.000 3.812 ( 0.000 0.000 0.000) 0.000 4.056 ( -0.000 -0.000 0.000) 0.000 4.319 ( 0.000 0.000 0.000) 0.000 4.710 ( 0.000 0.000 -0.000) 0.000 5.029 ( 0.000 0.000 0.000) 0.000 5.709 ( 0.000 0.000 -0.000) 0.000 6.636 ( -0.000 -0.000 0.000) 0.000 7.112 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/116) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.277 ( 0.000 16.620 -4.789) 17.296 0.331 ( -0.000 9.972 13.741) 16.978 0.729 ( -0.000 27.865 14.313) 31.326 1.935 ( -0.000 -0.319 0.014) 0.319 1.940 ( -0.000 -0.086 0.050) 0.100 2.134 ( -0.000 -4.259 4.513) 6.206 2.175 ( -0.000 -3.943 1.511) 4.222 2.213 ( -0.000 0.571 0.353) 0.672 2.333 ( 0.000 -6.481 -5.874) 8.747 2.774 ( -0.000 -4.456 -0.363) 4.471 2.797 ( -0.000 -4.165 -0.720) 4.227 3.148 ( 0.000 6.414 -2.211) 6.784 3.156 ( -0.000 -0.823 1.856) 2.030 3.234 ( 0.000 6.643 1.138) 6.740 3.594 ( 0.000 -0.017 -0.641) 0.641 3.763 ( 0.000 -5.057 -2.048) 5.456 3.789 ( -0.000 -2.793 1.601) 3.220 3.990 ( -0.000 0.369 7.721) 7.730 4.293 ( 0.000 1.324 -0.275) 1.352 4.317 ( -0.000 1.949 1.946) 2.754 5.720 ( -0.000 -0.068 0.149) 0.163 5.780 ( -0.000 -9.477 -0.185) 9.478 6.125 ( 0.000 11.265 -7.183) 13.360 7.328 ( -0.000 -4.587 6.383) 7.860 ======================= Grid point 13 (8/116) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 11.929 2.849 14.606) 19.073 0.664 ( 16.277 13.152 -1.732) 20.998 1.086 ( 5.714 23.734 7.229) 25.460 1.929 ( -0.334 -0.591 -0.088) 0.684 1.935 ( -0.483 -0.476 -0.206) 0.709 2.000 ( -6.384 -5.882 3.454) 9.342 2.115 ( -6.959 2.828 -4.523) 8.769 2.204 ( 0.655 -0.822 0.333) 1.103 2.316 ( 3.227 -7.565 0.681) 8.253 2.716 ( -1.850 -4.582 -0.316) 4.951 2.733 ( -0.908 -4.886 0.241) 4.976 3.141 ( -1.419 -1.915 2.641) 3.558 3.254 ( 3.874 4.041 -3.697) 6.709 3.322 ( 5.886 3.354 -1.263) 6.891 3.585 ( -1.961 4.704 -3.956) 6.452 3.679 ( -3.034 -3.049 -0.690) 4.356 3.763 ( -0.573 -2.656 1.662) 3.185 4.038 ( 0.708 0.752 7.196) 7.270 4.313 ( 0.339 1.429 -0.771) 1.659 4.334 ( -0.524 2.532 1.522) 3.001 5.640 ( -4.999 -9.256 0.553) 10.535 5.718 ( -0.125 -0.292 0.177) 0.363 6.247 ( 5.063 8.558 -4.936) 11.101 7.295 ( -1.618 -3.727 3.660) 5.469 ======================= Grid point 14 (9/116) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 13.284 0.463 12.951) 18.558 1.025 ( 11.694 10.989 0.300) 16.050 1.433 ( 10.918 15.178 -2.744) 18.897 1.877 ( -4.110 -3.136 2.402) 5.701 1.903 ( -1.976 -0.938 -1.356) 2.574 1.917 ( -1.078 -0.821 -0.277) 1.383 2.012 ( -6.404 4.793 -0.496) 8.014 2.209 ( 0.150 -0.073 -0.361) 0.397 2.279 ( 0.353 -5.825 0.744) 5.883 2.621 ( -3.233 -5.287 -0.600) 6.226 2.683 ( -0.704 -3.888 1.102) 4.102 3.093 ( -2.801 -3.460 2.704) 5.209 3.273 ( -0.052 -0.391 -3.192) 3.216 3.467 ( 5.242 2.588 -1.805) 6.118 3.539 ( -1.485 -0.953 -4.849) 5.160 3.644 ( -0.897 0.931 3.194) 3.445 3.771 ( 1.325 3.058 -0.779) 3.423 4.086 ( 0.087 0.677 5.509) 5.551 4.313 ( -0.360 0.475 -1.498) 1.612 4.389 ( 2.458 4.120 1.726) 5.098 5.452 ( -7.050 -8.503 0.498) 11.057 5.712 ( -0.076 -0.740 0.161) 0.761 6.396 ( 5.765 7.015 -3.559) 9.753 7.238 ( -2.326 -3.868 2.281) 5.057 ======================= Grid point 15 (10/116) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 12.138 0.849 8.362) 14.764 1.254 ( 3.378 10.020 -0.353) 10.580 1.673 ( 6.874 1.341 -5.212) 8.730 1.799 ( -2.519 -1.422 -0.281) 2.906 1.832 ( -2.092 -1.704 -0.852) 2.829 1.925 ( 1.932 1.152 0.254) 2.263 2.025 ( 0.711 6.509 2.656) 7.066 2.193 ( -1.661 0.170 -0.595) 1.772 2.250 ( 0.514 -1.031 -0.121) 1.158 2.504 ( -3.149 -6.699 -0.675) 7.433 2.632 ( -3.113 -1.598 1.086) 3.664 3.009 ( -2.563 -5.436 1.221) 6.132 3.250 ( -1.601 0.710 0.292) 1.776 3.440 ( -3.904 1.982 -2.771) 5.182 3.562 ( 2.033 0.630 -2.338) 3.161 3.699 ( 4.840 -0.779 2.345) 5.434 3.820 ( 0.439 2.863 -0.950) 3.048 4.095 ( -1.932 0.052 3.957) 4.404 4.305 ( 0.426 -0.219 -1.602) 1.672 4.518 ( 5.832 5.946 1.344) 8.437 5.247 ( -7.903 -7.601 0.033) 10.965 5.704 ( 0.142 -1.166 0.095) 1.178 6.538 ( 4.894 6.015 -2.372) 8.109 7.166 ( -2.428 -4.117 1.303) 4.954 ======================= Grid point 16 (11/116) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 1.980 7.182 0.274) 7.455 1.364 ( 2.951 1.184 2.149) 3.838 1.616 ( -1.633 -4.997 -3.553) 6.346 1.754 ( -1.123 -0.596 0.543) 1.383 1.847 ( 0.597 0.149 0.526) 0.809 2.014 ( 5.074 1.138 3.143) 6.076 2.068 ( -0.916 -2.341 -2.873) 3.817 2.203 ( 2.577 0.707 -1.248) 2.949 2.287 ( 1.606 6.452 0.033) 6.649 2.394 ( -1.651 -6.616 0.015) 6.819 2.554 ( -5.495 0.990 0.566) 5.612 2.936 ( 0.500 -5.324 -0.179) 5.350 3.238 ( -1.502 1.018 2.007) 2.706 3.404 ( -3.273 4.845 -0.064) 5.847 3.596 ( 2.168 0.899 -1.472) 2.770 3.759 ( 2.604 -2.396 0.075) 3.539 3.827 ( -1.257 1.476 -0.421) 1.983 4.072 ( -1.880 -0.407 1.939) 2.732 4.310 ( 0.901 -0.363 -0.310) 1.019 4.682 ( 5.129 4.519 0.097) 6.837 5.058 ( -5.535 -5.050 -0.205) 7.496 5.697 ( 0.508 -1.313 -0.016) 1.408 6.642 ( 1.723 4.368 -0.908) 4.783 7.101 ( -0.735 -3.543 0.191) 3.623 ======================= Grid point 17 (12/116) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -6.839 -9.095 -5.433) 12.609 1.348 ( -4.828 6.339 0.098) 7.969 1.670 ( 6.915 1.195 3.138) 7.687 1.758 ( 0.963 0.619 1.290) 1.725 1.835 ( -1.731 0.166 -1.204) 2.115 1.968 ( -3.253 -1.353 -3.154) 4.729 2.108 ( 2.039 -2.606 2.635) 4.230 2.207 ( -2.005 -2.134 -0.654) 3.000 2.294 ( -6.301 1.752 0.809) 6.590 2.391 ( 7.050 -1.222 -0.377) 7.165 2.544 ( 1.618 4.330 -0.693) 4.674 2.930 ( 3.805 -3.007 -0.772) 4.911 3.242 ( -0.065 0.570 2.314) 2.384 3.422 ( -1.353 5.503 2.169) 6.067 3.618 ( -0.141 -0.838 1.523) 1.744 3.739 ( -0.603 -3.826 -2.611) 4.671 3.825 ( -0.702 3.317 -0.930) 3.516 4.050 ( -0.755 -0.136 -0.761) 1.081 4.322 ( 0.811 -0.844 1.303) 1.752 4.671 ( -6.863 -2.589 -1.100) 7.417 5.061 ( 7.112 2.462 0.096) 7.526 5.696 ( 0.841 -1.103 -0.118) 1.392 6.654 ( -3.638 1.266 0.703) 3.915 7.092 ( 2.850 -1.350 -1.037) 3.320 ======================= Grid point 18 (13/116) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -8.429 -12.289 -8.126) 16.973 1.254 ( -11.819 2.088 -0.787) 12.028 1.740 ( -3.505 -3.201 3.951) 6.176 1.797 ( 1.607 1.129 -0.592) 2.051 1.853 ( 2.775 4.132 1.816) 5.299 1.924 ( -0.869 -0.894 -0.199) 1.263 1.991 ( -8.418 2.136 -1.535) 8.819 2.197 ( 2.718 -0.691 -0.496) 2.848 2.252 ( -1.162 -0.646 0.511) 1.425 2.511 ( 7.694 -0.684 0.373) 7.733 2.615 ( 2.900 1.646 -1.240) 3.558 2.989 ( 5.038 -0.258 -0.957) 5.135 3.272 ( 1.849 0.013 2.462) 3.079 3.481 ( 1.321 3.825 2.931) 4.997 3.599 ( -1.429 -1.879 2.437) 3.392 3.649 ( -3.258 -2.628 -4.220) 5.944 3.842 ( -1.896 2.493 0.966) 3.278 4.033 ( -0.421 0.422 -3.574) 3.623 4.330 ( 0.404 -1.084 1.737) 2.087 4.499 ( -8.121 -2.457 -0.815) 8.523 5.246 ( 10.180 3.177 -0.218) 10.667 5.702 ( 0.904 -0.679 -0.149) 1.140 6.566 ( -6.893 -0.905 1.383) 7.088 7.146 ( 4.281 0.192 -1.430) 4.518 ======================= Grid point 19 (14/116) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -9.738 -10.729 -7.877) 16.492 1.005 ( -16.598 -0.239 -2.659) 16.811 1.471 ( -22.015 -4.185 2.523) 22.551 1.858 ( 5.081 0.646 0.030) 5.122 1.916 ( 1.233 0.311 0.423) 1.340 1.922 ( 1.027 0.038 0.199) 1.047 2.037 ( 1.694 10.445 2.893) 10.970 2.216 ( -0.330 -1.439 0.600) 1.594 2.252 ( 4.921 -3.630 -2.805) 6.728 2.627 ( 6.016 0.192 0.124) 6.020 2.666 ( 3.702 -0.519 -1.167) 3.916 3.067 ( 3.965 0.628 -0.628) 4.064 3.313 ( 1.419 -0.645 1.453) 2.131 3.474 ( -6.625 -1.850 -1.398) 7.019 3.593 ( 4.170 1.096 2.013) 4.759 3.617 ( 0.262 0.808 0.519) 0.996 3.800 ( -5.065 0.299 1.534) 5.300 4.002 ( -1.272 -0.050 -3.859) 4.063 4.331 ( -0.292 -0.325 0.986) 1.079 4.375 ( -4.435 -0.689 -0.082) 4.489 5.447 ( 10.595 2.071 -0.280) 10.799 5.711 ( 0.652 -0.256 -0.094) 0.707 6.433 ( -8.085 -1.248 1.189) 8.267 7.212 ( 3.739 0.379 -1.131) 3.925 ======================= Grid point 20 (15/116) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( -11.521 -0.000 0.000) 11.521 0.691 ( -19.172 -0.000 0.000) 19.172 1.025 ( -28.029 -0.000 0.000) 28.029 1.929 ( 0.557 0.000 -0.000) 0.557 1.937 ( 0.449 0.000 -0.000) 0.449 1.973 ( 7.674 0.000 -0.000) 7.674 2.157 ( 1.298 0.000 -0.000) 1.298 2.200 ( 0.795 0.000 -0.000) 0.795 2.306 ( 5.856 0.000 -0.000) 5.856 2.719 ( 4.713 0.000 -0.000) 4.713 2.732 ( 4.737 0.000 -0.000) 4.737 3.123 ( 2.410 0.000 -0.000) 2.410 3.291 ( -4.333 -0.000 0.000) 4.333 3.323 ( -9.019 -0.000 0.000) 9.019 3.617 ( -2.216 -0.000 0.000) 2.216 3.700 ( 6.174 0.000 -0.000) 6.174 3.745 ( 0.169 0.000 -0.000) 0.169 3.967 ( -1.404 -0.000 0.000) 1.404 4.320 ( -1.210 -0.000 0.000) 1.210 4.320 ( -2.090 -0.000 0.000) 2.090 5.636 ( 10.466 0.000 -0.000) 10.466 5.717 ( 0.283 0.000 -0.000) 0.283 6.287 ( -8.530 -0.000 0.000) 8.530 7.265 ( 2.574 0.000 -0.000) 2.574 ======================= Grid point 23 (16/116) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 0.000 16.822 -4.713) 17.470 0.644 ( -0.000 9.288 12.371) 15.469 1.301 ( 0.000 20.164 5.030) 20.782 1.927 ( -0.000 -0.548 -0.111) 0.559 1.932 ( -0.000 -0.749 -0.217) 0.779 2.062 ( -0.000 -7.410 5.354) 9.142 2.085 ( -0.000 -7.326 2.940) 7.895 2.208 ( 0.000 -0.273 -6.108) 6.114 2.236 ( -0.000 1.261 0.867) 1.530 2.678 ( -0.000 -4.295 -1.269) 4.478 2.697 ( -0.000 -4.863 -0.989) 4.963 3.146 ( -0.000 -2.709 3.339) 4.300 3.257 ( 0.000 7.195 -3.654) 8.070 3.277 ( 0.000 1.473 -4.047) 4.307 3.613 ( 0.000 0.491 -6.269) 6.289 3.704 ( -0.000 1.965 3.208) 3.762 3.735 ( -0.000 -4.817 3.018) 5.685 4.070 ( -0.000 0.926 5.472) 5.550 4.326 ( 0.000 2.325 -0.410) 2.361 4.379 ( -0.000 2.482 2.533) 3.547 5.581 ( -0.000 -11.085 0.608) 11.102 5.718 ( -0.000 -0.307 0.136) 0.336 6.273 ( 0.000 9.927 -5.011) 11.120 7.281 ( -0.000 -4.920 3.059) 5.793 ======================= Grid point 24 (17/116) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 6.077 7.284 8.553) 12.773 0.916 ( 12.379 12.885 0.467) 17.874 1.491 ( 1.072 15.314 -2.210) 15.509 1.902 ( -2.325 -4.758 0.337) 5.306 1.913 ( -1.434 -1.863 -0.082) 2.352 1.939 ( -2.381 -0.947 2.525) 3.598 2.117 ( 2.005 -3.463 0.055) 4.002 2.155 ( 0.112 -2.965 -1.373) 3.269 2.246 ( -1.080 0.966 1.022) 1.773 2.615 ( -2.215 -4.802 -0.904) 5.365 2.644 ( 0.040 -3.817 -0.144) 3.820 3.108 ( -2.175 -4.212 1.637) 5.015 3.281 ( -0.274 3.284 0.046) 3.295 3.374 ( 6.501 5.131 -3.822) 9.121 3.557 ( -2.673 -0.430 -4.289) 5.072 3.678 ( -1.884 -2.844 2.547) 4.257 3.767 ( 2.080 1.306 1.668) 2.969 4.107 ( 0.689 0.958 3.470) 3.665 4.336 ( -1.423 1.709 -0.644) 2.315 4.422 ( 0.416 4.816 2.460) 5.423 5.446 ( -3.259 -11.030 0.584) 11.516 5.711 ( -0.440 -0.636 0.098) 0.779 6.377 ( 3.473 8.955 -4.101) 10.444 7.232 ( -1.158 -5.354 2.013) 5.836 ======================= Grid point 25 (18/116) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 9.466 2.677 10.294) 14.239 1.243 ( 11.001 11.830 -0.962) 16.184 1.613 ( 1.055 8.398 -6.633) 10.753 1.796 ( -1.659 -4.990 -0.169) 5.261 1.859 ( -2.753 -1.417 -2.303) 3.859 1.936 ( -1.044 1.456 1.156) 2.133 2.078 ( -1.537 0.196 -1.555) 2.195 2.165 ( 3.595 -6.260 1.119) 7.305 2.251 ( -0.557 4.284 0.900) 4.413 2.505 ( -4.302 -5.730 -0.287) 7.171 2.625 ( 1.190 -3.036 1.026) 3.419 3.010 ( -3.917 -5.777 0.241) 6.984 3.305 ( -1.767 2.263 3.067) 4.201 3.504 ( 4.927 1.950 -2.528) 5.870 3.512 ( -1.747 3.848 -0.995) 4.342 3.643 ( 0.365 -2.043 0.526) 2.141 3.817 ( 1.879 0.982 0.171) 2.127 4.137 ( -0.053 0.874 2.189) 2.358 4.308 ( -2.116 0.239 -0.788) 2.271 4.517 ( 2.776 6.896 1.753) 7.638 5.272 ( -5.108 -10.119 0.182) 11.336 5.694 ( -0.463 -1.181 0.061) 1.270 6.513 ( 4.603 8.009 -2.938) 9.694 7.159 ( -1.876 -5.794 1.139) 6.196 ======================= Grid point 26 (19/116) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 9.790 1.086 6.828) 11.985 1.475 ( 0.125 12.503 -1.445) 12.586 1.552 ( -0.540 -6.922 -4.591) 8.324 1.786 ( -2.942 0.050 -1.752) 3.424 1.831 ( 2.622 2.662 0.403) 3.758 1.952 ( 2.403 2.241 -0.165) 3.290 2.061 ( -0.284 -0.637 -1.404) 1.568 2.154 ( 1.714 -3.762 0.054) 4.134 2.328 ( 2.623 5.383 -0.358) 5.999 2.361 ( -4.603 -7.279 0.068) 8.613 2.621 ( -0.537 -0.930 1.481) 1.829 2.883 ( -2.850 -6.991 -0.461) 7.563 3.292 ( -2.373 0.631 2.088) 3.223 3.532 ( -3.378 6.832 1.586) 7.785 3.561 ( 2.271 1.158 -0.912) 2.707 3.667 ( 4.141 -2.994 -0.380) 5.124 3.852 ( 0.413 2.549 -0.652) 2.663 4.130 ( -3.023 0.511 2.011) 3.667 4.280 ( 0.502 -1.754 -0.833) 2.006 4.656 ( 4.334 6.915 0.500) 8.176 5.089 ( -5.421 -8.268 -0.211) 9.889 5.676 ( 0.022 -1.535 0.002) 1.535 6.649 ( 3.536 7.260 -1.626) 8.238 7.073 ( -1.554 -6.106 0.368) 6.311 ======================= Grid point 27 (20/116) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -5.427 -8.223 -3.966) 10.620 1.473 ( 3.921 5.276 1.090) 6.663 1.623 ( -1.275 6.882 1.183) 7.099 1.755 ( 0.706 0.292 0.033) 0.764 1.855 ( -0.437 0.574 1.491) 1.656 2.012 ( -3.780 -0.225 -2.384) 4.475 2.047 ( 4.091 -0.424 1.015) 4.236 2.205 ( 5.271 1.414 -0.254) 5.463 2.214 ( -1.021 -8.502 -0.032) 8.563 2.411 ( 0.606 2.516 -1.030) 2.786 2.591 ( -3.835 2.201 0.324) 4.433 2.815 ( 3.598 -6.049 -0.334) 7.046 3.270 ( -1.554 0.501 1.145) 1.995 3.538 ( -3.289 5.714 1.200) 6.702 3.606 ( 1.114 0.588 0.825) 1.506 3.681 ( 1.753 -4.215 -0.802) 4.635 3.878 ( -1.194 4.958 -0.822) 5.166 4.079 ( -3.169 -0.271 1.156) 3.384 4.282 ( 2.325 -2.579 -0.167) 3.476 4.743 ( -2.494 1.898 -0.794) 3.233 4.982 ( 2.323 -2.318 0.149) 3.285 5.668 ( 0.756 -1.358 -0.061) 1.555 6.732 ( -1.539 5.096 -0.059) 5.323 7.015 ( 2.077 -4.715 -0.605) 5.188 ======================= Grid point 28 (21/116) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -9.570 -7.136 -4.139) 12.635 1.484 ( -11.443 4.768 -0.511) 12.407 1.692 ( 7.181 -1.445 2.588) 7.769 1.787 ( 0.798 0.623 -0.540) 1.147 1.885 ( 0.170 2.536 2.777) 3.765 1.950 ( -2.877 2.867 -0.800) 4.140 2.074 ( -0.474 -1.026 -0.064) 1.132 2.125 ( 1.609 -4.810 -1.836) 5.394 2.342 ( -5.716 0.959 0.468) 5.815 2.367 ( 6.905 -0.355 0.285) 6.920 2.584 ( 1.107 0.667 -1.050) 1.665 2.874 ( 6.896 -1.596 -0.067) 7.078 3.264 ( 0.008 0.210 0.796) 0.823 3.542 ( -2.651 3.893 1.172) 4.853 3.611 ( -0.543 -1.138 1.471) 1.937 3.644 ( -0.818 -2.818 -1.789) 3.437 3.898 ( -1.311 3.331 -0.037) 3.580 4.041 ( -1.525 0.040 -0.746) 1.698 4.300 ( 2.129 -1.705 0.506) 2.774 4.623 ( -8.598 -1.130 -0.540) 8.689 5.101 ( 9.233 1.224 -0.006) 9.314 5.675 ( 1.250 -0.701 -0.071) 1.435 6.686 ( -6.577 0.949 0.552) 6.668 7.055 ( 5.343 -1.006 -0.759) 5.489 ======================= Grid point 29 (22/116) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -10.803 -0.000 0.000) 10.803 1.269 ( -15.040 -0.000 0.000) 15.040 1.732 ( -7.006 -0.000 0.000) 7.006 1.804 ( 1.758 0.000 -0.000) 1.758 1.904 ( 0.723 0.000 -0.000) 0.723 1.909 ( -1.665 -0.000 0.000) 1.665 2.112 ( 1.615 0.000 -0.000) 1.615 2.119 ( 2.982 0.000 -0.000) 2.982 2.231 ( -3.609 -0.000 0.000) 3.609 2.510 ( 7.795 0.000 -0.000) 7.795 2.611 ( 2.218 0.000 -0.000) 2.218 2.982 ( 6.119 0.000 -0.000) 6.119 3.283 ( 1.733 0.000 -0.000) 1.733 3.536 ( -1.027 -0.000 0.000) 1.027 3.575 ( -2.307 -0.000 0.000) 2.307 3.618 ( -0.147 -0.000 0.000) 0.147 3.882 ( -2.974 -0.000 0.000) 2.974 4.015 ( -1.303 -0.000 0.000) 1.303 4.323 ( 1.150 0.000 -0.000) 1.150 4.473 ( -7.668 -0.000 0.000) 7.668 5.276 ( 10.487 0.000 -0.000) 10.487 5.693 ( 1.172 0.000 -0.000) 1.172 6.566 ( -7.835 -0.000 0.000) 7.835 7.138 ( 4.860 0.000 -0.000) 4.860 ======================= Grid point 34 (23/116) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 0.000 16.379 -4.340) 16.945 0.924 ( -0.000 8.743 9.536) 12.938 1.611 ( 0.000 12.757 -4.588) 13.557 1.887 ( -0.000 -5.540 0.455) 5.559 1.905 ( -0.000 -2.671 -0.219) 2.680 1.957 ( -0.000 -7.719 3.625) 8.528 1.999 ( -0.000 -1.272 2.776) 3.054 2.135 ( 0.000 -2.682 -5.175) 5.829 2.279 ( -0.000 2.014 1.517) 2.521 2.586 ( 0.000 -3.668 -1.869) 4.117 2.615 ( -0.000 -3.424 -0.043) 3.425 3.094 ( -0.000 -4.045 0.408) 4.065 3.333 ( -0.000 4.160 2.891) 5.065 3.352 ( 0.000 6.510 -4.564) 7.951 3.565 ( 0.000 1.271 -3.693) 3.906 3.664 ( -0.000 -5.754 4.004) 7.010 3.760 ( -0.000 -0.031 2.218) 2.218 4.123 ( -0.000 1.214 1.564) 1.980 4.371 ( 0.000 2.542 -0.386) 2.571 4.480 ( -0.000 5.667 2.120) 6.050 5.361 ( -0.000 -12.127 0.659) 12.145 5.710 ( -0.000 -0.555 0.008) 0.555 6.417 ( 0.000 9.142 -3.795) 9.899 7.194 ( -0.000 -6.063 1.404) 6.224 ======================= Grid point 35 (24/116) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 1.564 9.112 5.120) 10.568 1.160 ( 10.247 11.315 0.045) 15.265 1.671 ( -1.775 3.563 -6.294) 7.447 1.782 ( -1.961 -2.544 0.695) 3.287 1.874 ( -1.647 -1.952 -1.118) 2.789 1.949 ( 3.160 -2.929 2.001) 4.751 2.036 ( 2.127 -0.718 1.559) 2.733 2.080 ( -0.177 -2.196 -3.447) 4.091 2.303 ( -0.672 2.766 0.975) 3.009 2.518 ( -2.945 -4.615 -0.738) 5.524 2.575 ( 0.503 -4.154 0.026) 4.184 3.026 ( -3.326 -4.195 -0.150) 5.356 3.366 ( -1.473 1.480 2.170) 3.012 3.434 ( 4.469 4.678 -3.564) 7.386 3.555 ( -0.822 0.837 -0.018) 1.173 3.635 ( 0.158 -2.277 1.912) 2.977 3.794 ( 1.875 1.151 3.471) 4.110 4.142 ( 0.437 1.029 -0.095) 1.122 4.366 ( -2.988 1.672 -0.387) 3.445 4.561 ( 1.318 7.243 1.276) 7.472 5.226 ( -2.168 -11.896 0.457) 12.100 5.697 ( -0.816 -0.728 -0.020) 1.094 6.514 ( 3.001 8.334 -2.894) 9.319 7.129 ( -1.101 -6.322 0.817) 6.469 ======================= Grid point 36 (25/116) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 5.207 4.937 6.435) 9.639 1.418 ( 8.837 3.133 -2.027) 9.593 1.559 ( -2.968 -1.992 -4.071) 5.418 1.811 ( 0.034 1.389 -1.623) 2.136 1.842 ( 0.519 4.225 -0.308) 4.268 2.001 ( 3.298 0.514 0.713) 3.413 2.018 ( -2.741 0.997 -2.066) 3.574 2.084 ( 1.674 -1.986 0.519) 2.649 2.326 ( 0.471 2.815 -0.618) 2.921 2.390 ( -5.225 -6.775 0.361) 8.564 2.568 ( 3.273 -3.904 0.952) 5.182 2.906 ( -5.625 -4.158 -0.348) 7.003 3.342 ( -2.326 -0.093 1.154) 2.599 3.525 ( 3.163 1.488 -0.916) 3.614 3.559 ( 2.297 -1.759 -1.020) 3.067 3.645 ( -0.033 1.903 1.316) 2.314 3.878 ( 1.526 5.549 4.441) 7.269 4.152 ( 0.678 -0.245 -1.701) 1.848 4.301 ( -4.946 -0.523 -0.210) 4.978 4.673 ( 2.584 7.765 0.474) 8.197 5.070 ( -3.252 -10.321 0.080) 10.822 5.672 ( -0.979 -0.908 -0.013) 1.335 6.645 ( 4.505 7.436 -1.772) 8.873 7.043 ( -2.051 -6.400 0.411) 6.733 ======================= Grid point 37 (26/116) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -1.285 0.082 0.805) 1.518 1.381 ( 3.804 -4.028 -0.521) 5.565 1.672 ( 6.425 4.099 -0.879) 7.671 1.815 ( -2.667 5.498 -0.994) 6.191 1.882 ( -0.993 0.762 1.472) 1.932 1.999 ( 2.098 0.126 -1.295) 2.469 2.046 ( -2.106 1.357 -0.036) 2.505 2.101 ( 3.540 0.958 0.017) 3.667 2.220 ( -5.220 -7.756 0.522) 9.364 2.379 ( 3.167 1.078 -1.246) 3.570 2.621 ( 4.759 -0.509 1.273) 4.952 2.764 ( -6.057 -3.537 -0.647) 7.044 3.309 ( -2.087 0.107 0.594) 2.173 3.562 ( 1.878 0.609 -0.964) 2.197 3.590 ( 2.916 -1.863 -0.645) 3.521 3.665 ( -1.031 1.456 1.634) 2.420 3.963 ( -1.864 6.854 2.453) 7.515 4.146 ( -1.215 -0.114 -0.755) 1.435 4.209 ( -1.072 -3.916 -0.714) 4.122 4.791 ( 1.544 6.930 -0.213) 7.103 4.930 ( -1.768 -7.701 0.083) 7.902 5.652 ( -0.275 -0.706 -0.014) 0.757 6.784 ( 3.580 7.264 -0.660) 8.125 6.944 ( -1.770 -6.909 0.087) 7.132 ======================= Grid point 38 (27/116) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -8.967 -0.000 0.000) 8.967 1.527 ( 10.426 0.000 -0.000) 10.426 1.712 ( -10.921 -0.000 0.000) 10.921 1.760 ( 2.799 0.000 -0.000) 2.799 1.917 ( -0.315 -0.000 0.000) 0.315 2.029 ( 2.057 0.000 -0.000) 2.057 2.039 ( 1.084 0.000 -0.000) 1.084 2.060 ( -3.859 -0.000 0.000) 3.859 2.230 ( 7.174 0.000 -0.000) 7.174 2.420 ( 0.277 0.000 -0.000) 0.277 2.623 ( -6.038 -0.000 0.000) 6.038 2.740 ( 7.408 0.000 -0.000) 7.408 3.280 ( -1.452 -0.000 0.000) 1.452 3.601 ( 1.586 0.000 -0.000) 1.586 3.609 ( 1.356 0.000 -0.000) 1.356 3.635 ( -3.719 -0.000 0.000) 3.719 3.953 ( -2.980 -0.000 0.000) 2.980 4.082 ( -3.726 -0.000 0.000) 3.726 4.236 ( 4.160 0.000 -0.000) 4.160 4.753 ( -7.261 -0.000 0.000) 7.261 4.964 ( 7.362 0.000 -0.000) 7.362 5.653 ( 0.756 0.000 -0.000) 0.756 6.803 ( -6.043 -0.000 0.000) 6.043 6.944 ( 6.450 0.000 -0.000) 6.450 ======================= Grid point 45 (28/116) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 0.000 13.639 -3.389) 14.053 1.158 ( -0.000 7.766 5.320) 9.414 1.646 ( 0.000 -6.106 -4.491) 7.579 1.767 ( -0.000 -9.782 2.529) 10.104 1.849 ( 0.000 4.268 0.217) 4.274 1.915 ( -0.000 -0.818 0.451) 0.934 2.017 ( 0.000 -0.683 -4.056) 4.113 2.091 ( 0.000 5.615 0.632) 5.651 2.342 ( -0.000 2.628 1.986) 3.294 2.500 ( 0.000 -3.270 -2.079) 3.875 2.516 ( -0.000 -7.399 -0.047) 7.399 3.022 ( -0.000 -2.895 -0.324) 2.913 3.398 ( -0.000 0.562 0.616) 0.834 3.425 ( 0.000 5.392 -4.506) 7.027 3.564 ( 0.000 -1.156 -1.313) 1.749 3.592 ( -0.000 -5.381 4.160) 6.802 3.835 ( -0.000 4.623 6.460) 7.943 4.149 ( 0.000 1.289 -1.400) 1.903 4.411 ( 0.000 1.671 -0.232) 1.687 4.626 ( 0.000 7.821 0.159) 7.822 5.127 ( -0.000 -12.062 0.587) 12.077 5.699 ( -0.000 -0.470 -0.058) 0.474 6.551 ( 0.000 7.129 -2.200) 7.460 7.083 ( -0.000 -5.731 0.487) 5.751 ======================= Grid point 46 (29/116) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -0.820 8.523 2.774) 9.000 1.305 ( 5.475 1.506 -1.286) 5.822 1.545 ( -1.041 -3.359 -2.639) 4.397 1.763 ( 6.329 -4.007 0.873) 7.542 1.867 ( -2.197 -0.011 -0.363) 2.226 1.909 ( 1.475 0.307 0.209) 1.521 2.026 ( 2.635 -0.760 -1.153) 2.975 2.160 ( -1.597 10.380 -0.221) 10.505 2.359 ( -1.980 0.481 0.194) 2.046 2.399 ( -3.521 -6.892 0.636) 7.766 2.481 ( 2.297 -3.675 -0.778) 4.403 2.962 ( -4.086 -1.797 -0.202) 4.468 3.380 ( -1.945 -0.021 -0.007) 1.945 3.483 ( 2.851 2.778 -2.076) 4.490 3.523 ( -0.419 -2.249 0.302) 2.308 3.612 ( 3.474 -1.742 0.822) 3.972 3.928 ( 2.295 4.394 5.776) 7.611 4.140 ( -1.164 0.064 -2.476) 2.737 4.386 ( -4.102 0.610 -0.169) 4.150 4.714 ( 1.546 7.158 -0.202) 7.326 5.009 ( -1.363 -9.393 0.399) 9.500 5.686 ( -1.063 -0.329 -0.031) 1.113 6.630 ( 3.254 4.593 -1.133) 5.742 7.024 ( -1.491 -3.970 0.247) 4.248 ======================= Grid point 47 (30/116) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 3.203 0.000 -0.000) 3.203 1.316 ( -0.850 -0.000 0.000) 0.850 1.578 ( 5.540 0.000 -0.000) 5.540 1.835 ( -0.100 -0.000 0.000) 0.100 1.885 ( 7.719 0.000 -0.000) 7.719 1.921 ( -0.452 -0.000 0.000) 0.452 2.060 ( 1.934 0.000 -0.000) 1.934 2.202 ( -7.178 -0.000 0.000) 7.178 2.228 ( -2.583 -0.000 0.000) 2.583 2.351 ( -0.467 -0.000 0.000) 0.467 2.524 ( 4.875 0.000 -0.000) 4.875 2.862 ( -6.311 -0.000 0.000) 6.311 3.346 ( -2.036 -0.000 0.000) 2.036 3.523 ( 1.710 0.000 -0.000) 1.710 3.537 ( 2.577 0.000 -0.000) 2.577 3.661 ( 2.338 0.000 -0.000) 2.338 4.044 ( 5.545 0.000 -0.000) 5.545 4.082 ( -3.672 -0.000 0.000) 3.672 4.293 ( -6.646 -0.000 0.000) 6.646 4.796 ( 2.993 0.000 -0.000) 2.993 4.921 ( -2.878 -0.000 0.000) 2.878 5.663 ( -1.207 -0.000 0.000) 1.207 6.729 ( 5.641 0.000 -0.000) 5.641 6.962 ( -3.255 -0.000 0.000) 3.255 ======================= Grid point 58 (31/116) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -0.000 -0.000 0.000) 0.000 1.287 ( -0.000 0.000 0.000) 0.000 1.520 ( -0.000 0.000 0.000) 0.000 1.657 ( 0.000 0.000 0.000) 0.000 1.899 ( -0.000 0.000 0.000) 0.000 1.909 ( -0.000 0.000 0.000) 0.000 1.981 ( -0.000 0.000 0.000) 0.000 2.236 ( 0.000 0.000 0.000) 0.000 2.371 ( -0.000 -0.000 0.000) 0.000 2.410 ( -0.000 0.000 0.000) 0.000 2.425 ( 0.000 -0.000 -0.000) 0.000 2.990 ( 0.000 0.000 -0.000) 0.000 3.402 ( -0.000 0.000 0.000) 0.000 3.465 ( 0.000 0.000 -0.000) 0.000 3.533 ( -0.000 0.000 0.000) 0.000 3.550 ( -0.000 -0.000 0.000) 0.000 3.940 ( -0.000 -0.000 0.000) 0.000 4.150 ( -0.000 0.000 0.000) 0.000 4.427 ( -0.000 0.000 0.000) 0.000 4.742 ( 0.000 0.000 0.000) 0.000 4.967 ( -0.000 -0.000 0.000) 0.000 5.694 ( -0.000 0.000 0.000) 0.000 6.621 ( -0.000 -0.000 0.000) 0.000 7.018 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 116 (32/116) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.232 ( -0.000 0.000 15.982) 15.982 0.232 ( -0.000 0.000 15.982) 15.982 0.480 ( -0.000 0.000 32.874) 32.874 1.940 ( -0.000 0.000 0.148) 0.148 1.940 ( -0.000 0.000 0.148) 0.148 2.184 ( 0.000 -0.000 -3.161) 3.161 2.184 ( 0.000 -0.000 -3.161) 3.161 2.206 ( -0.000 0.000 0.027) 0.027 2.524 ( -0.000 0.000 1.261) 1.261 2.833 ( -0.000 0.000 0.329) 0.329 2.833 ( -0.000 0.000 0.329) 0.329 3.101 ( -0.000 0.000 2.417) 2.417 3.101 ( -0.000 0.000 2.417) 2.417 3.198 ( -0.000 0.000 1.776) 1.776 3.780 ( 0.000 -0.000 -14.869) 14.869 3.801 ( 0.000 0.000 -1.027) 1.027 3.801 ( 0.000 -0.000 -1.027) 1.027 4.155 ( -0.000 0.000 6.930) 6.930 4.279 ( 0.000 -0.000 -0.234) 0.234 4.279 ( 0.000 -0.000 -0.234) 0.234 5.722 ( -0.000 0.000 0.243) 0.243 5.722 ( -0.000 0.000 0.243) 0.243 5.941 ( -0.000 0.000 1.423) 1.423 7.562 ( 0.000 -0.000 -0.255) 0.255 ======================= Grid point 117 (33/116) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( 17.468 10.085 3.028) 20.396 0.577 ( 12.708 7.337 11.842) 18.856 0.763 ( 10.644 6.145 23.533) 26.549 1.938 ( -0.339 -0.196 0.152) 0.420 1.939 ( -0.146 -0.084 -0.027) 0.171 2.072 ( -5.017 -2.896 -4.930) 7.607 2.126 ( -7.031 -4.059 3.845) 8.983 2.207 ( 0.122 0.070 -0.042) 0.147 2.426 ( -2.718 -1.569 -1.668) 3.554 2.787 ( -3.425 -1.978 0.474) 3.983 2.813 ( -2.354 -1.359 -0.116) 2.721 3.149 ( 4.909 2.834 -0.710) 5.713 3.191 ( -0.766 -0.442 2.115) 2.292 3.255 ( 7.882 4.551 4.442) 10.128 3.530 ( -5.224 -3.016 -4.988) 7.828 3.727 ( -3.972 -2.293 -2.349) 5.153 3.814 ( -1.750 -1.011 -0.069) 2.022 4.078 ( -1.418 -0.819 8.171) 8.333 4.287 ( 0.581 0.335 -0.615) 0.910 4.300 ( 1.018 0.588 0.957) 1.516 5.722 ( -0.057 -0.033 0.271) 0.278 5.782 ( -6.662 -3.846 -0.175) 7.694 6.058 ( 11.067 6.390 -6.232) 14.218 7.396 ( -6.161 -3.557 6.284) 9.492 ======================= Grid point 118 (34/116) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 13.134 7.583 6.953) 16.684 0.885 ( 10.465 6.042 5.847) 13.425 1.154 ( 17.115 9.881 7.295) 21.066 1.906 ( -2.872 -1.658 -1.660) 3.709 1.924 ( -1.560 -0.901 -0.419) 1.849 1.967 ( -1.714 -0.990 -0.197) 1.989 1.978 ( -6.545 -3.779 2.842) 8.074 2.209 ( -0.028 -0.016 -0.343) 0.345 2.355 ( -2.956 -1.707 -1.943) 3.928 2.699 ( -4.393 -2.536 -0.129) 5.074 2.751 ( -3.030 -1.750 0.551) 3.542 3.155 ( -2.648 -1.529 4.034) 5.062 3.253 ( 2.410 1.391 -4.146) 4.993 3.432 ( 4.785 2.762 0.544) 5.552 3.484 ( 2.882 1.664 -5.324) 6.279 3.640 ( -1.681 -0.971 1.457) 2.427 3.762 ( -2.181 -1.259 0.822) 2.650 4.102 ( 0.288 0.166 4.426) 4.439 4.294 ( 0.404 0.233 -1.551) 1.619 4.343 ( 2.399 1.385 1.418) 3.111 5.596 ( -9.345 -5.395 1.086) 10.845 5.721 ( -0.156 -0.090 0.230) 0.292 6.254 ( 8.923 5.152 -4.759) 11.349 7.314 ( -4.015 -2.318 3.469) 5.790 ======================= Grid point 119 (35/116) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 6.424 3.709 -1.221) 7.518 1.114 ( 9.558 5.519 8.171) 13.732 1.555 ( 15.680 9.053 -3.159) 18.380 1.847 ( -4.295 -2.480 2.137) 5.400 1.852 ( -1.074 -0.620 1.508) 1.952 1.899 ( -1.117 -0.645 -0.109) 1.295 1.965 ( 0.562 0.324 2.755) 2.830 2.194 ( -1.224 -0.707 -1.181) 1.842 2.284 ( -2.423 -1.399 -1.393) 3.125 2.593 ( -4.533 -2.617 -1.056) 5.340 2.677 ( -4.013 -2.317 0.601) 4.673 3.094 ( -4.060 -2.344 1.768) 5.010 3.247 ( -0.603 -0.348 -0.213) 0.729 3.420 ( -2.557 -1.476 -4.002) 4.973 3.537 ( 2.086 1.204 -2.642) 3.575 3.717 ( 4.291 2.477 5.550) 7.440 3.755 ( 1.637 0.945 -1.181) 2.229 4.117 ( -0.748 -0.432 2.838) 2.966 4.294 ( 0.470 0.271 -1.906) 1.981 4.433 ( 5.345 3.086 1.181) 6.284 5.381 ( -9.957 -5.749 0.619) 11.514 5.717 ( -0.256 -0.148 0.120) 0.319 6.421 ( 7.631 4.406 -3.234) 9.386 7.236 ( -3.991 -2.304 1.808) 4.950 ======================= Grid point 120 (36/116) ======================= q-point: ( 0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 3.583 2.068 -3.232) 5.250 1.338 ( 7.273 4.199 4.568) 9.560 1.672 ( -2.648 -1.529 -4.499) 5.440 1.777 ( -1.881 -1.086 0.912) 2.356 1.854 ( -0.131 -0.076 1.178) 1.188 2.023 ( 2.483 1.433 4.866) 5.647 2.043 ( 12.439 7.182 -0.317) 14.367 2.130 ( -3.517 -2.031 -2.026) 4.538 2.238 ( -1.068 -0.617 -1.276) 1.775 2.503 ( -2.511 -1.450 -1.114) 3.106 2.563 ( -6.647 -3.838 0.457) 7.689 3.007 ( -3.267 -1.886 -0.618) 3.823 3.246 ( -0.477 -0.275 4.865) 4.896 3.357 ( -1.276 -0.737 -1.894) 2.400 3.564 ( 1.962 1.133 -1.856) 2.928 3.784 ( 0.723 0.418 -1.427) 1.654 3.805 ( 1.427 0.824 1.771) 2.419 4.097 ( -1.864 -1.076 2.448) 3.260 4.304 ( 1.012 0.584 -0.478) 1.262 4.589 ( 7.647 4.415 -0.244) 8.834 5.162 ( -9.222 -5.324 0.043) 10.649 5.712 ( -0.230 -0.133 -0.038) 0.268 6.561 ( 5.527 3.191 -1.744) 6.615 7.156 ( -3.387 -1.955 0.408) 3.932 ======================= Grid point 121 (37/116) ======================= q-point: (-0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 2.307 1.332 0.037) 2.664 1.387 ( -5.744 -3.316 -3.589) 7.541 1.634 ( 3.986 2.302 -0.298) 4.613 1.770 ( 0.221 0.128 2.663) 2.676 1.832 ( -2.096 -1.210 -2.124) 3.220 1.983 ( -3.865 -2.232 -4.091) 6.054 2.153 ( 2.973 1.716 6.004) 6.916 2.206 ( 0.632 0.365 -2.518) 2.622 2.292 ( 1.975 1.140 -0.222) 2.291 2.403 ( -2.350 -1.357 -0.326) 2.733 2.479 ( 0.649 0.375 -0.310) 0.811 2.961 ( -0.356 -0.206 -0.937) 1.024 3.266 ( -0.301 -0.174 6.556) 6.566 3.355 ( 1.457 0.841 0.685) 1.817 3.614 ( 2.506 1.447 -0.401) 2.922 3.773 ( -0.463 -0.268 -1.636) 1.721 3.791 ( -2.289 -1.321 -2.894) 3.919 4.065 ( -1.725 -0.996 1.516) 2.503 4.331 ( 0.984 0.568 1.661) 2.012 4.701 ( -0.409 -0.236 -1.149) 1.242 5.029 ( 0.148 0.085 -0.135) 0.217 5.708 ( -0.039 -0.022 -0.181) 0.186 6.636 ( 1.073 0.619 -0.118) 1.244 7.104 ( -0.665 -0.384 -1.044) 1.296 ======================= Grid point 122 (38/116) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -11.048 -6.379 -6.059) 14.123 1.233 ( -4.750 -2.742 -0.266) 5.491 1.754 ( 5.216 3.012 -0.098) 6.024 1.771 ( 0.402 0.232 -3.438) 3.469 1.798 ( 0.339 0.196 2.749) 2.777 1.927 ( -0.480 -0.277 -1.246) 1.364 2.073 ( -13.004 -7.508 0.986) 15.048 2.218 ( 1.574 0.909 -2.538) 3.122 2.221 ( 0.870 0.503 3.380) 3.526 2.526 ( 3.219 1.859 0.429) 3.742 2.535 ( 6.467 3.734 -1.029) 7.538 2.981 ( 2.203 1.272 -0.275) 2.559 3.294 ( 0.347 0.200 4.923) 4.939 3.426 ( 3.915 2.261 2.910) 5.376 3.638 ( -1.071 -0.618 2.915) 3.166 3.685 ( -5.012 -2.894 -5.876) 8.248 3.782 ( 2.365 1.365 -3.918) 4.776 4.035 ( -1.504 -0.869 0.814) 1.918 4.354 ( 0.007 0.004 2.350) 2.350 4.569 ( -7.978 -4.606 -0.274) 9.216 5.159 ( 8.874 5.123 -0.620) 10.265 5.709 ( 0.178 0.103 -0.232) 0.309 6.601 ( -3.944 -2.277 0.690) 4.607 7.122 ( 2.556 1.476 -1.699) 3.405 ======================= Grid point 123 (39/116) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -12.211 -7.050 -6.050) 15.343 1.009 ( -12.636 -7.295 -5.914) 15.744 1.639 ( -16.725 -9.656 2.123) 19.429 1.858 ( 6.387 3.687 2.246) 7.709 1.863 ( 4.410 2.546 1.948) 5.452 1.920 ( -0.109 -0.063 1.656) 1.661 1.924 ( 0.475 0.274 -0.696) 0.886 2.234 ( -0.494 -0.285 1.552) 1.653 2.257 ( 2.733 1.578 -2.950) 4.320 2.610 ( 3.838 2.216 0.054) 4.432 2.641 ( 3.863 2.230 -1.583) 4.733 3.045 ( 3.099 1.789 0.534) 3.618 3.325 ( 0.883 0.510 1.109) 1.507 3.507 ( -5.270 -3.043 -2.996) 6.783 3.561 ( 3.657 2.111 0.315) 4.234 3.628 ( -0.368 -0.213 2.795) 2.827 3.791 ( -1.037 -0.599 -3.425) 3.629 4.006 ( -1.499 -0.865 1.431) 2.246 4.351 ( -1.041 -0.601 1.658) 2.048 4.413 ( -5.277 -3.047 1.047) 6.183 5.368 ( 9.578 5.530 -0.599) 11.076 5.713 ( 0.251 0.145 -0.157) 0.329 6.484 ( -6.335 -3.658 0.118) 7.316 7.185 ( 3.266 1.885 -1.085) 3.924 ======================= Grid point 124 (40/116) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -12.359 -7.136 -2.055) 14.418 0.655 ( -15.167 -8.757 -8.373) 19.412 1.211 ( -22.283 -12.865 6.935) 26.648 1.928 ( 0.407 0.235 -0.018) 0.470 1.933 ( 0.640 0.369 0.007) 0.739 1.992 ( 5.491 3.170 4.029) 7.512 2.037 ( 6.970 4.024 3.670) 8.845 2.224 ( -0.704 -0.406 0.780) 1.126 2.296 ( 2.387 1.378 -5.710) 6.340 2.692 ( 3.657 2.112 -0.695) 4.280 2.716 ( 3.780 2.183 -1.532) 4.626 3.112 ( 2.352 1.358 1.181) 2.962 3.320 ( -7.539 -4.352 -5.068) 10.073 3.322 ( -1.549 -0.894 -1.331) 2.230 3.653 ( -0.505 -0.291 4.208) 4.248 3.690 ( 4.926 2.844 3.199) 6.526 3.709 ( -1.634 -0.944 -6.175) 6.457 3.985 ( -1.367 -0.789 4.116) 4.408 4.326 ( -1.571 -0.907 0.457) 1.871 4.345 ( -1.932 -1.115 1.841) 2.892 5.579 ( 9.317 5.379 -0.180) 10.760 5.717 ( 0.171 0.099 -0.003) 0.198 6.326 ( -7.320 -4.226 -1.761) 8.634 7.251 ( 2.703 1.560 0.686) 3.195 ======================= Grid point 127 (41/116) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.303 ( -0.000 5.801 7.808) 9.727 0.584 ( -0.000 6.572 17.880) 19.049 0.960 ( -0.000 17.495 17.582) 24.803 1.936 ( -0.000 -0.412 0.069) 0.418 1.941 ( -0.000 -0.270 0.068) 0.278 2.118 ( 0.000 1.143 -5.621) 5.736 2.180 ( 0.000 -1.423 -0.772) 1.619 2.214 ( 0.000 1.218 -0.330) 1.262 2.337 ( -0.000 -13.864 4.837) 14.684 2.771 ( -0.000 -5.373 0.085) 5.374 2.793 ( -0.000 -4.418 0.018) 4.418 3.133 ( 0.000 3.918 0.171) 3.922 3.202 ( -0.000 -0.974 4.597) 4.699 3.230 ( 0.000 2.249 -1.522) 2.716 3.551 ( 0.000 0.050 -4.358) 4.358 3.735 ( 0.000 -3.225 -1.767) 3.677 3.805 ( -0.000 -1.085 0.623) 1.251 4.100 ( -0.000 -2.298 5.214) 5.698 4.286 ( 0.000 1.220 -0.642) 1.378 4.342 ( 0.000 2.853 1.014) 3.027 5.724 ( -0.000 -0.124 0.308) 0.332 5.776 ( -0.000 -6.660 -0.485) 6.677 6.031 ( 0.000 11.336 -4.297) 12.123 7.419 ( -0.000 -7.836 5.123) 9.362 ======================= Grid point 128 (42/116) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 20.071 7.320 1.500) 21.416 0.787 ( 6.739 4.576 15.250) 17.289 1.195 ( 1.935 14.632 7.484) 16.548 1.926 ( -0.798 -0.858 -0.406) 1.240 1.932 ( -0.579 -0.440 -0.230) 0.763 2.049 ( -6.254 2.459 -1.298) 6.844 2.065 ( -6.410 -4.583 2.326) 8.216 2.209 ( -0.111 -0.113 0.373) 0.405 2.311 ( 2.722 -5.829 -1.453) 6.595 2.711 ( -1.629 -5.361 -0.418) 5.618 2.738 ( 0.042 -5.235 0.428) 5.252 3.182 ( -0.709 -2.096 -1.042) 2.446 3.216 ( 1.958 3.199 2.589) 4.558 3.296 ( 7.302 0.318 -1.314) 7.426 3.526 ( -2.555 2.635 -4.117) 5.515 3.690 ( -2.456 1.333 1.889) 3.373 3.785 ( -1.190 -1.913 1.376) 2.640 4.110 ( 0.602 -0.209 2.019) 2.117 4.298 ( -0.230 1.462 -1.186) 1.897 4.358 ( -0.728 3.201 1.434) 3.582 5.653 ( -4.867 -9.257 1.263) 10.535 5.722 ( -0.143 -0.373 0.266) 0.480 6.173 ( 5.793 9.447 -4.779) 12.068 7.350 ( -2.382 -5.339 3.604) 6.868 ======================= Grid point 129 (43/116) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 11.418 2.516 5.080) 12.748 1.042 ( 11.113 8.113 5.291) 14.741 1.394 ( 7.721 9.044 -2.605) 12.174 1.880 ( -2.939 -1.658 -1.272) 3.607 1.914 ( -2.668 -3.639 0.555) 4.546 1.923 ( -3.412 -0.723 2.773) 4.456 2.019 ( -2.449 4.592 1.292) 5.362 2.207 ( -0.724 0.609 0.119) 0.953 2.271 ( 0.030 -4.205 -1.923) 4.624 2.611 ( -3.374 -5.411 -0.841) 6.432 2.696 ( -0.581 -3.650 0.697) 3.762 3.113 ( -2.462 -4.708 -1.067) 5.419 3.272 ( -0.369 2.329 4.771) 5.322 3.437 ( 3.878 2.579 -2.190) 5.147 3.472 ( 0.496 0.135 -4.145) 4.177 3.689 ( -0.280 -1.081 2.822) 3.035 3.781 ( 0.106 2.835 1.635) 3.274 4.129 ( 0.526 0.529 0.227) 0.779 4.291 ( -0.798 0.853 -1.415) 1.835 4.413 ( 2.126 4.389 1.374) 5.067 5.463 ( -7.376 -8.934 1.115) 11.639 5.715 ( -0.115 -0.803 0.155) 0.826 6.342 ( 6.579 7.660 -3.721) 10.761 7.270 ( -2.903 -4.710 2.035) 5.895 ======================= Grid point 130 (44/116) ======================= q-point: ( 0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 4.650 6.540 -0.135) 8.026 1.273 ( 6.203 5.206 3.578) 8.853 1.598 ( 7.936 1.005 -5.099) 9.487 1.799 ( -2.536 -2.789 0.486) 3.801 1.830 ( 0.555 -2.581 0.507) 2.688 1.934 ( 1.863 1.011 1.032) 2.357 2.052 ( 0.373 1.998 0.839) 2.199 2.187 ( -2.502 0.946 -0.409) 2.706 2.244 ( 0.310 0.912 -0.499) 1.085 2.493 ( -3.162 -6.056 -0.844) 6.884 2.644 ( -3.473 -1.188 0.398) 3.692 3.009 ( -2.605 -5.810 -1.117) 6.464 3.294 ( -1.865 0.766 5.127) 5.509 3.412 ( -3.104 4.710 -0.308) 5.649 3.537 ( 2.036 0.934 -1.202) 2.542 3.715 ( 4.264 -2.099 0.284) 4.761 3.818 ( 0.139 1.597 0.297) 1.630 4.131 ( -1.237 0.190 0.796) 1.483 4.288 ( 0.708 0.248 -0.731) 1.048 4.529 ( 5.026 5.920 0.134) 7.767 5.250 ( -8.271 -7.987 0.444) 11.506 5.705 ( 0.076 -1.199 -0.001) 1.201 6.503 ( 5.755 6.587 -2.374) 9.063 7.180 ( -2.980 -4.597 0.667) 5.519 ======================= Grid point 131 (45/116) ======================= q-point: ( 0.60 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 0.087 10.337 -1.534) 10.450 1.371 ( 0.176 -4.216 -1.474) 4.469 1.581 ( 1.965 -1.892 -1.622) 3.174 1.775 ( 0.067 -0.725 2.457) 2.562 1.850 ( -0.414 0.046 -0.215) 0.469 2.015 ( -3.672 -1.661 -3.139) 5.109 2.069 ( 9.011 -0.515 3.219) 9.583 2.173 ( 1.812 1.089 -2.899) 3.588 2.296 ( 0.891 5.649 1.130) 5.830 2.390 ( -1.324 -6.561 -0.544) 6.716 2.556 ( -6.160 1.372 -0.413) 6.325 2.928 ( 0.421 -5.073 -0.626) 5.128 3.284 ( -0.805 -1.025 3.495) 3.730 3.428 ( -3.195 6.474 3.576) 8.056 3.580 ( 2.646 1.899 -0.582) 3.308 3.746 ( 1.500 -2.621 -1.462) 3.355 3.811 ( -1.579 0.713 -2.047) 2.681 4.101 ( -2.443 -0.784 2.060) 3.291 4.313 ( 2.056 -0.428 0.731) 2.224 4.674 ( 4.482 4.560 -0.952) 6.465 5.056 ( -5.548 -5.100 -0.047) 7.537 5.696 ( 0.436 -1.303 -0.151) 1.382 6.629 ( 2.747 4.988 -0.861) 5.760 7.097 ( -1.460 -3.840 -0.711) 4.170 ======================= Grid point 132 (46/116) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -7.908 -11.229 -4.469) 14.443 1.350 ( -4.281 7.111 -0.041) 8.300 1.684 ( 6.330 2.941 -1.133) 7.071 1.796 ( 0.981 -0.729 3.353) 3.569 1.813 ( -3.352 3.362 -1.654) 5.028 1.929 ( -1.718 -0.783 -2.141) 2.855 2.135 ( 1.962 -3.815 0.472) 4.316 2.190 ( -4.471 -3.005 -1.207) 5.520 2.305 ( -3.896 2.060 0.763) 4.473 2.386 ( 7.489 -0.632 -0.222) 7.519 2.534 ( 1.413 3.553 -0.863) 3.920 2.925 ( 3.650 -2.680 0.328) 4.540 3.290 ( 0.877 -1.792 3.971) 4.444 3.460 ( -1.397 5.337 3.002) 6.281 3.635 ( 1.497 -0.352 0.256) 1.559 3.696 ( -2.500 -3.139 -2.278) 4.614 3.786 ( -1.278 4.392 -4.685) 6.548 4.064 ( -2.001 -1.098 2.851) 3.652 4.343 ( 1.684 -1.496 1.604) 2.765 4.661 ( -6.638 -2.425 -0.049) 7.067 5.056 ( 6.910 2.598 -0.789) 7.424 5.694 ( 0.801 -1.044 -0.219) 1.334 6.660 ( -3.054 1.620 0.192) 3.462 7.072 ( 2.502 -1.224 -1.621) 3.223 ======================= Grid point 133 (47/116) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -9.563 -11.319 -2.918) 15.102 1.228 ( -14.195 2.432 -2.648) 14.643 1.772 ( 1.724 -0.469 0.070) 1.788 1.788 ( -2.941 -1.086 -0.477) 3.171 1.880 ( 2.410 6.564 2.007) 7.275 1.912 ( 0.639 -0.161 -1.173) 1.345 1.991 ( -6.898 0.074 1.126) 6.990 2.176 ( 3.682 -1.527 -2.336) 4.620 2.267 ( -2.649 -0.487 1.396) 3.034 2.515 ( 7.522 -0.657 0.285) 7.556 2.598 ( 2.783 1.536 -1.169) 3.387 2.990 ( 4.915 -0.364 1.123) 5.054 3.307 ( 1.101 -1.792 2.268) 3.093 3.520 ( 2.165 2.603 2.396) 4.147 3.570 ( -4.904 -1.757 -5.128) 7.310 3.642 ( -0.961 -1.413 1.628) 2.360 3.805 ( -0.675 4.888 -5.248) 7.203 4.040 ( -1.695 -0.811 4.302) 4.695 4.352 ( 0.560 -1.990 1.258) 2.420 4.503 ( -7.766 -2.597 1.348) 8.299 5.239 ( 10.192 3.494 -0.752) 10.801 5.700 ( 0.911 -0.584 -0.153) 1.093 6.573 ( -6.839 -0.940 -0.487) 6.920 7.129 ( 4.367 0.781 -0.870) 4.520 ======================= Grid point 134 (48/116) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -10.239 -5.426 3.565) 12.124 0.954 ( -18.609 3.579 -4.078) 19.384 1.499 ( -19.197 -6.220 1.042) 20.206 1.877 ( 6.252 -0.431 2.288) 6.672 1.917 ( 0.840 -0.108 -0.205) 0.871 1.923 ( 0.889 -0.180 0.194) 0.927 2.084 ( 2.927 10.136 3.352) 11.070 2.200 ( 2.403 -4.974 -3.567) 6.575 2.232 ( 0.542 -0.570 0.820) 1.136 2.624 ( 5.779 0.272 -0.433) 5.802 2.651 ( 3.496 0.737 -0.858) 3.675 3.076 ( 4.005 0.300 1.857) 4.425 3.307 ( 0.189 -1.039 -2.027) 2.285 3.431 ( -7.684 1.252 -3.951) 8.731 3.601 ( 4.676 -0.915 -0.902) 4.850 3.645 ( 1.432 -0.460 2.131) 2.608 3.772 ( -4.393 1.776 -3.020) 5.619 4.031 ( -1.636 -0.352 6.029) 6.257 4.339 ( -0.463 -1.293 0.171) 1.385 4.388 ( -4.302 -1.470 1.919) 4.935 5.443 ( 10.711 2.429 -0.154) 10.984 5.710 ( 0.687 -0.164 0.010) 0.706 6.425 ( -8.364 -1.331 -2.236) 8.760 7.210 ( 4.057 1.042 0.871) 4.278 ======================= Grid point 138 (49/116) ======================= q-point: ( 0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 0.000 12.508 1.587) 12.608 0.859 ( -0.000 4.998 16.204) 16.957 1.341 ( 0.000 12.498 0.550) 12.510 1.925 ( -0.000 -0.728 -0.153) 0.744 1.928 ( 0.000 -0.644 -0.275) 0.700 2.107 ( 0.000 -0.388 -1.978) 2.015 2.118 ( -0.000 -5.344 1.613) 5.582 2.161 ( -0.000 -7.570 2.290) 7.909 2.245 ( 0.000 2.058 0.145) 2.063 2.659 ( -0.000 -5.155 -1.213) 5.296 2.689 ( -0.000 -4.976 -0.075) 4.977 3.160 ( 0.000 -2.911 -2.940) 4.138 3.220 ( 0.000 5.175 -1.413) 5.365 3.278 ( -0.000 2.835 6.296) 6.904 3.538 ( 0.000 0.002 -4.414) 4.414 3.745 ( -0.000 2.468 2.512) 3.522 3.774 ( -0.000 -3.465 2.351) 4.188 4.107 ( 0.000 0.390 -0.561) 0.683 4.314 ( 0.000 2.516 -1.170) 2.775 4.406 ( 0.000 3.204 0.969) 3.347 5.597 ( -0.000 -11.253 1.551) 11.360 5.721 ( -0.000 -0.433 0.216) 0.484 6.203 ( 0.000 10.569 -4.301) 11.410 7.326 ( -0.000 -6.385 2.909) 7.017 ======================= Grid point 139 (50/116) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 14.153 9.559 1.708) 17.164 1.015 ( 4.669 5.156 11.604) 13.529 1.438 ( -0.461 11.431 -5.101) 12.526 1.895 ( -1.846 -2.147 -0.784) 2.937 1.916 ( -1.404 -2.858 0.282) 3.196 1.982 ( -4.434 -4.113 3.084) 6.789 2.083 ( -1.744 0.274 -2.945) 3.434 2.164 ( 4.265 -6.288 0.806) 7.641 2.256 ( -1.404 2.017 0.200) 2.466 2.600 ( -1.380 -4.884 -1.108) 5.195 2.649 ( 0.671 -3.853 0.840) 4.000 3.100 ( -1.953 -3.544 -2.190) 4.601 3.330 ( 7.070 4.194 -1.970) 8.453 3.343 ( -0.548 3.235 7.883) 8.539 3.504 ( -1.997 1.708 -2.835) 3.866 3.714 ( -2.709 -2.978 2.433) 4.704 3.795 ( 1.287 0.657 1.932) 2.412 4.115 ( 0.920 0.999 -2.561) 2.899 4.322 ( -1.506 2.149 -1.273) 2.917 4.448 ( 0.440 5.008 1.023) 5.131 5.461 ( -3.490 -11.516 1.495) 12.126 5.713 ( -0.434 -0.753 0.145) 0.881 6.320 ( 3.863 9.624 -3.614) 10.982 7.262 ( -1.436 -6.366 1.940) 6.808 ======================= Grid point 140 (51/116) ======================= q-point: ( 0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 9.323 2.597 6.846) 11.854 1.243 ( 9.833 9.545 1.249) 13.761 1.516 ( 0.954 8.227 -6.630) 10.609 1.797 ( -2.371 -5.766 0.285) 6.241 1.834 ( -2.857 -1.943 -0.895) 3.569 1.950 ( -1.601 1.080 0.824) 2.099 2.054 ( -0.092 -0.887 -1.646) 1.872 2.171 ( 2.314 -4.719 -0.349) 5.267 2.262 ( -0.283 3.446 0.618) 3.512 2.500 ( -4.045 -5.180 -0.325) 6.580 2.642 ( 1.405 -2.864 1.235) 3.421 2.999 ( -3.800 -5.338 -1.411) 6.703 3.356 ( -2.307 -0.396 2.849) 3.687 3.481 ( 5.960 2.578 -0.743) 6.536 3.519 ( -0.867 6.292 2.729) 6.913 3.657 ( -0.901 -2.738 1.856) 3.429 3.828 ( 0.545 1.207 0.989) 1.653 4.131 ( 1.292 0.993 -3.296) 3.677 4.298 ( -2.108 0.639 -0.691) 2.309 4.533 ( 2.379 6.641 0.564) 7.076 5.280 ( -5.530 -10.611 0.928) 12.001 5.695 ( -0.489 -1.245 0.053) 1.338 6.473 ( 5.178 8.664 -2.555) 10.411 7.174 ( -2.264 -6.360 0.953) 6.818 ======================= Grid point 141 (52/116) ======================= q-point: ( 0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 5.942 0.300 2.415) 6.420 1.438 ( -4.006 7.327 -3.359) 9.001 1.510 ( 4.806 -0.222 -1.520) 5.046 1.782 ( -1.125 -1.065 1.373) 2.070 1.836 ( 4.000 4.027 0.128) 5.678 1.951 ( 2.824 0.504 -0.060) 2.869 2.037 ( -0.599 -0.459 -1.810) 1.961 2.147 ( 0.153 -2.458 -0.964) 2.645 2.324 ( 2.910 3.353 -0.291) 4.449 2.365 ( -5.024 -6.561 0.528) 8.281 2.639 ( -1.262 -0.089 0.758) 1.475 2.871 ( -2.558 -7.038 -0.977) 7.552 3.318 ( -2.263 -0.502 1.536) 2.781 3.538 ( -0.293 1.738 -0.536) 1.843 3.582 ( 0.303 3.871 1.990) 4.363 3.674 ( 2.796 -1.537 2.815) 4.254 3.846 ( -1.454 3.862 -0.279) 4.136 4.137 ( -0.570 0.454 -1.140) 1.353 4.269 ( 0.481 -2.059 -0.429) 2.158 4.656 ( 3.745 6.854 -0.227) 7.813 5.090 ( -5.707 -8.500 0.287) 10.243 5.676 ( -0.037 -1.529 -0.050) 1.530 6.628 ( 4.292 7.860 -1.320) 9.052 7.075 ( -2.161 -6.271 -0.056) 6.633 ======================= Grid point 142 (53/116) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -7.402 -7.637 -1.913) 10.806 1.461 ( 3.070 6.518 -2.612) 7.664 1.629 ( 0.842 6.638 -0.619) 6.720 1.783 ( 1.236 -1.470 3.659) 4.132 1.874 ( -0.177 2.421 1.156) 2.689 1.969 ( -4.119 0.482 -3.455) 5.398 2.065 ( 3.339 -1.509 1.221) 3.862 2.195 ( 8.622 1.532 -0.869) 8.800 2.217 ( -4.251 -7.640 0.292) 8.748 2.393 ( 1.204 2.237 -1.372) 2.887 2.587 ( -5.154 2.298 -1.044) 5.738 2.816 ( 4.180 -5.777 0.676) 7.163 3.292 ( -0.971 -0.736 1.874) 2.235 3.547 ( -1.018 3.155 -0.047) 3.315 3.611 ( 0.650 0.060 -1.206) 1.371 3.691 ( -0.608 -2.583 2.833) 3.882 3.854 ( -2.817 6.468 -2.066) 7.351 4.107 ( -2.561 -0.712 2.510) 3.656 4.279 ( 3.492 -3.261 -0.334) 4.789 4.738 ( -2.462 2.129 0.359) 3.274 4.979 ( 2.030 -2.218 -0.734) 3.095 5.667 ( 0.702 -1.288 -0.110) 1.471 6.731 ( -0.846 5.573 -0.092) 5.638 7.003 ( 1.441 -4.528 -1.106) 4.879 ======================= Grid point 143 (54/116) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -9.855 -3.922 1.318) 10.688 1.471 ( -10.644 5.144 -1.377) 11.902 1.682 ( 6.338 -0.899 -3.233) 7.171 1.804 ( -0.032 -0.934 2.245) 2.432 1.895 ( -0.443 -0.589 -1.856) 1.997 1.953 ( -0.968 7.191 1.881) 7.496 2.070 ( -2.498 -2.727 -0.755) 3.774 2.097 ( 1.813 -2.815 -1.783) 3.793 2.344 ( -4.835 0.305 -0.220) 4.850 2.372 ( 7.725 -0.390 0.509) 7.752 2.570 ( 1.139 1.710 -0.786) 2.200 2.883 ( 6.814 -1.969 1.176) 7.190 3.286 ( 0.290 -1.614 2.146) 2.700 3.554 ( -1.938 2.472 0.287) 3.154 3.597 ( -1.535 -0.197 -2.486) 2.928 3.645 ( -1.159 -2.798 1.009) 3.193 3.857 ( -2.092 5.221 -3.853) 6.818 4.080 ( -1.447 -1.139 4.787) 5.129 4.305 ( 2.674 -2.422 0.089) 3.609 4.629 ( -8.394 -1.261 1.435) 8.609 5.094 ( 9.309 1.702 -0.975) 9.514 5.674 ( 1.238 -0.588 -0.074) 1.372 6.686 ( -6.763 0.714 -0.608) 6.828 7.045 ( 5.491 -0.016 -0.540) 5.517 ======================= Grid point 144 (55/116) ======================= q-point: (-0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -9.481 4.533 7.611) 12.976 1.260 ( -15.408 2.135 -1.143) 15.597 1.695 ( -7.790 -2.139 -4.638) 9.315 1.801 ( 3.462 0.872 -0.396) 3.592 1.890 ( 1.380 -1.077 -1.790) 2.503 1.919 ( -1.288 -0.880 1.095) 1.906 2.097 ( 0.910 -4.341 -1.134) 4.578 2.142 ( 3.501 7.335 1.935) 8.355 2.238 ( -3.700 -2.092 0.844) 4.334 2.508 ( 7.619 -0.413 -0.209) 7.633 2.615 ( 2.177 1.502 0.504) 2.692 2.995 ( 6.448 -0.378 1.441) 6.618 3.283 ( 0.390 -1.701 0.314) 1.773 3.529 ( -1.912 -1.426 -1.104) 2.628 3.546 ( -1.865 1.686 -2.910) 3.846 3.634 ( 0.090 0.222 1.035) 1.062 3.837 ( -2.802 1.850 -3.271) 4.688 4.077 ( -0.834 -0.948 5.708) 5.846 4.318 ( 1.069 -1.099 -0.559) 1.632 4.489 ( -7.621 -0.600 1.924) 7.883 5.274 ( 10.721 0.441 -0.307) 10.735 5.693 ( 1.196 0.112 0.045) 1.202 6.550 ( -8.277 -0.108 -2.036) 8.524 7.144 ( 5.206 0.827 0.834) 5.337 ======================= Grid point 149 (56/116) ======================= q-point: ( 0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 0.000 14.345 -0.648) 14.360 1.079 ( -0.000 4.081 11.352) 12.063 1.529 ( 0.000 11.329 -6.474) 13.048 1.894 ( -0.000 -4.509 0.466) 4.533 1.901 ( -0.000 -1.855 -0.255) 1.873 2.008 ( -0.000 -7.894 3.397) 8.594 2.027 ( -0.000 -4.321 0.774) 4.389 2.073 ( 0.000 -1.466 -2.588) 2.974 2.296 ( 0.000 2.782 0.556) 2.837 2.555 ( 0.000 -3.851 -2.296) 4.483 2.619 ( -0.000 -3.567 0.627) 3.622 3.079 ( 0.000 -3.055 -1.869) 3.582 3.301 ( 0.000 5.011 -2.499) 5.600 3.406 ( -0.000 0.562 6.028) 6.054 3.538 ( 0.000 3.447 0.108) 3.449 3.719 ( -0.000 -4.966 3.681) 6.181 3.794 ( -0.000 1.460 2.546) 2.935 4.103 ( 0.000 1.706 -4.446) 4.762 4.358 ( 0.000 3.056 -1.447) 3.382 4.496 ( 0.000 5.397 0.120) 5.398 5.378 ( -0.000 -12.661 1.563) 12.757 5.711 ( -0.000 -0.672 0.111) 0.681 6.367 ( 0.000 9.869 -3.013) 10.319 7.216 ( -0.000 -6.956 1.624) 7.143 ======================= Grid point 150 (57/116) ======================= q-point: ( 0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 8.079 9.887 2.059) 12.933 1.198 ( 4.627 5.610 4.822) 8.726 1.582 ( -1.594 5.583 -5.661) 8.109 1.794 ( -2.964 -3.618 0.897) 4.763 1.863 ( -2.644 -1.602 -0.300) 3.106 1.971 ( 2.202 -2.370 1.001) 3.386 2.045 ( -2.138 0.185 -0.677) 2.250 2.057 ( 4.691 -3.782 0.729) 6.069 2.312 ( -1.492 2.980 0.143) 3.336 2.499 ( -1.523 -4.204 -1.593) 4.747 2.584 ( 1.060 -4.840 1.106) 5.076 3.013 ( -3.220 -3.511 -1.355) 4.953 3.367 ( 1.797 1.801 -2.063) 3.275 3.428 ( 2.032 1.105 2.515) 3.417 3.560 ( -0.190 -0.032 0.796) 0.819 3.679 ( -0.873 -3.009 3.873) 4.982 3.853 ( 0.998 4.718 4.712) 6.742 4.101 ( 0.373 1.655 -5.716) 5.962 4.353 ( -2.830 2.153 -1.337) 3.799 4.567 ( 1.605 6.688 -0.408) 6.890 5.239 ( -2.437 -12.372 1.264) 12.673 5.698 ( -0.815 -0.806 0.087) 1.150 6.477 ( 3.212 9.119 -2.144) 9.903 7.144 ( -1.277 -6.917 1.205) 7.136 ======================= Grid point 151 (58/116) ======================= q-point: ( 0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 4.521 3.019 4.320) 6.943 1.391 ( 7.487 0.648 -1.675) 7.699 1.514 ( -1.276 1.574 -2.185) 2.980 1.804 ( -0.174 1.140 0.657) 1.328 1.839 ( 1.301 5.688 -0.104) 5.836 1.988 ( -2.214 -1.495 -2.054) 3.370 2.007 ( 0.346 3.305 0.130) 3.326 2.094 ( 2.417 -2.785 0.873) 3.789 2.320 ( -0.050 2.437 -0.249) 2.451 2.390 ( -4.644 -6.410 -0.284) 7.921 2.589 ( 3.892 -4.294 1.898) 6.099 2.893 ( -5.869 -3.639 -1.335) 7.033 3.352 ( -1.729 -0.674 0.187) 1.865 3.522 ( 3.938 1.569 0.500) 4.269 3.546 ( 0.850 -2.098 -0.602) 2.343 3.681 ( 0.764 -0.829 3.390) 3.573 3.949 ( -0.593 8.033 5.297) 9.641 4.091 ( 1.692 -0.620 -6.639) 6.879 4.296 ( -4.421 -0.222 -0.665) 4.476 4.672 ( 2.720 7.448 -0.534) 7.947 5.078 ( -3.626 -10.579 0.832) 11.214 5.673 ( -1.002 -0.931 0.044) 1.369 6.623 ( 4.804 8.165 -1.247) 9.555 7.052 ( -2.380 -6.615 0.727) 7.068 ======================= Grid point 152 (59/116) ======================= q-point: ( 0.70 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -5.061 -0.514 1.611) 5.336 1.358 ( 5.880 -2.651 -3.239) 7.217 1.678 ( 6.617 5.235 1.248) 8.529 1.818 ( -2.314 4.133 1.461) 4.957 1.884 ( -0.596 -0.245 -1.244) 1.402 1.981 ( 2.821 1.894 -0.913) 3.518 2.053 ( -1.396 3.226 0.926) 3.635 2.094 ( 2.432 -0.633 -0.916) 2.675 2.228 ( -5.137 -7.959 0.490) 9.485 2.365 ( 2.688 1.961 -0.726) 3.405 2.644 ( 4.571 -1.252 1.843) 5.085 2.747 ( -6.215 -2.949 -1.614) 7.066 3.316 ( -1.729 -0.676 0.407) 1.901 3.552 ( 1.503 1.027 -0.392) 1.862 3.581 ( 2.017 -0.437 -0.478) 2.119 3.697 ( -0.116 -1.504 2.475) 2.899 3.987 ( -4.873 5.239 0.605) 7.181 4.123 ( 4.117 0.794 -1.818) 4.570 4.206 ( -2.872 -3.327 0.121) 4.397 4.788 ( 2.042 6.975 -0.049) 7.268 4.933 ( -2.445 -7.684 0.093) 8.064 5.652 ( -0.307 -0.682 -0.008) 0.748 6.776 ( 4.120 7.724 -0.414) 8.764 6.945 ( -2.462 -6.652 0.088) 7.094 ======================= Grid point 153 (60/116) ======================= q-point: (-0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -8.391 2.392 3.876) 9.547 1.481 ( 9.847 0.873 -5.272) 11.203 1.710 ( -9.929 0.648 -0.602) 9.968 1.791 ( 2.072 -1.349 3.740) 4.483 1.891 ( -1.200 -2.907 -3.019) 4.359 2.021 ( 2.778 1.124 -0.575) 3.052 2.054 ( 1.322 0.036 0.435) 1.393 2.068 ( -5.005 0.966 1.622) 5.349 2.224 ( 7.717 -0.221 -0.651) 7.747 2.414 ( -0.267 1.678 -0.824) 1.889 2.617 ( -5.222 0.972 -0.692) 5.356 2.749 ( 7.213 -0.894 1.086) 7.349 3.287 ( -0.990 -1.181 0.803) 1.738 3.593 ( 0.102 0.389 -1.171) 1.239 3.603 ( 1.344 3.445 -0.244) 3.706 3.647 ( -2.969 -4.375 0.873) 5.359 3.933 ( -3.962 0.893 -1.615) 4.371 4.107 ( -1.971 -2.722 2.598) 4.248 4.233 ( 4.042 1.196 -0.454) 4.240 4.765 ( -7.259 -0.176 1.544) 7.423 4.954 ( 7.518 0.526 -1.245) 7.639 5.653 ( 0.756 0.062 -0.009) 0.758 6.801 ( -6.369 -0.391 -0.374) 6.392 6.943 ( 6.523 1.159 -0.042) 6.625 ======================= Grid point 154 (61/116) ======================= q-point: (-0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -8.021 8.684 7.575) 14.040 1.485 ( -11.992 -4.798 -0.299) 12.920 1.628 ( 8.018 1.563 -5.539) 9.870 1.803 ( 0.045 -2.077 0.665) 2.181 1.841 ( -0.204 -1.593 -2.618) 3.071 1.955 ( -3.717 -0.194 -0.094) 3.723 2.073 ( 0.363 0.187 -0.307) 0.511 2.146 ( 2.318 4.764 1.019) 5.396 2.334 ( -6.282 -1.294 -0.511) 6.434 2.363 ( 7.574 0.366 -0.297) 7.589 2.601 ( 1.220 -0.060 1.358) 1.826 2.881 ( 7.246 1.279 0.583) 7.381 3.267 ( -0.220 -1.984 1.127) 2.292 3.526 ( -3.513 -5.464 -0.753) 6.539 3.584 ( -1.270 1.383 -1.954) 2.710 3.665 ( 0.124 4.114 0.852) 4.203 3.871 ( -2.186 -0.584 -2.186) 3.146 4.086 ( 0.366 -2.631 3.915) 4.732 4.291 ( 1.571 1.277 -0.768) 2.165 4.640 ( -8.514 0.837 1.515) 8.689 5.096 ( 9.509 -0.791 -0.618) 9.562 5.676 ( 1.282 0.773 0.047) 1.498 6.672 ( -7.127 -0.887 -1.381) 7.313 7.065 ( 5.605 1.625 0.674) 5.875 ======================= Grid point 160 (62/116) ======================= q-point: ( 0.50 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 0.000 13.168 -1.376) 13.239 1.235 ( -0.000 4.072 5.165) 6.577 1.592 ( 0.000 -2.803 -2.802) 3.963 1.806 ( -0.000 -9.074 2.681) 9.462 1.848 ( 0.000 3.142 -0.362) 3.163 1.927 ( -0.000 -2.284 1.323) 2.640 1.986 ( -0.000 -0.563 -0.072) 0.568 2.103 ( 0.000 5.615 1.004) 5.704 2.360 ( 0.000 3.307 0.214) 3.314 2.466 ( 0.000 -2.995 -2.308) 3.781 2.518 ( -0.000 -7.749 0.369) 7.758 3.010 ( 0.000 -2.219 -1.185) 2.516 3.370 ( 0.000 4.877 -3.079) 5.768 3.422 ( -0.000 -1.251 2.649) 2.929 3.553 ( -0.000 -1.791 -0.255) 1.809 3.654 ( -0.000 -5.515 4.510) 7.124 3.908 ( -0.000 3.723 2.604) 4.544 4.105 ( 0.000 3.532 -3.620) 5.058 4.399 ( 0.000 2.374 -1.413) 2.763 4.613 ( 0.000 7.525 -1.680) 7.711 5.142 ( -0.000 -12.422 1.338) 12.494 5.700 ( -0.000 -0.530 0.130) 0.546 6.525 ( 0.000 8.055 -1.374) 8.171 7.096 ( -0.000 -6.307 1.350) 6.450 ======================= Grid point 161 (63/116) ======================= q-point: ( 0.60 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 2.881 8.102 1.968) 8.822 1.294 ( 2.180 -0.786 -0.213) 2.328 1.524 ( -1.148 -1.341 -0.295) 1.790 1.784 ( 4.733 -3.952 2.059) 6.501 1.868 ( -1.728 0.684 0.244) 1.874 1.909 ( 1.421 -1.025 0.205) 1.764 2.029 ( 3.041 -0.542 1.622) 3.488 2.157 ( -2.818 10.367 -0.294) 10.747 2.358 ( -2.762 -0.403 -0.226) 2.801 2.392 ( -2.677 -4.925 -1.492) 5.800 2.486 ( 3.511 -4.405 1.403) 5.805 2.953 ( -4.099 -1.143 -0.965) 4.363 3.373 ( -1.734 0.728 -1.168) 2.214 3.472 ( 3.678 1.579 0.894) 4.101 3.532 ( -0.335 -1.212 0.857) 1.522 3.646 ( 2.222 -3.642 3.545) 5.547 3.950 ( 3.270 -0.221 -4.011) 5.179 4.115 ( -2.152 3.608 0.301) 4.212 4.375 ( -4.078 1.368 -1.358) 4.510 4.699 ( 1.966 7.372 -1.677) 7.812 5.024 ( -1.538 -9.726 1.362) 9.941 5.686 ( -1.083 -0.365 0.142) 1.152 6.617 ( 3.261 5.709 -0.610) 6.603 7.035 ( -1.609 -4.572 1.298) 5.017 ======================= Grid point 162 (64/116) ======================= q-point: (-0.30 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 1.616 -6.947 -3.214) 7.823 1.350 ( 0.236 5.316 3.698) 6.480 1.590 ( 5.918 1.693 1.486) 6.333 1.846 ( 0.073 1.406 0.915) 1.680 1.890 ( 5.799 -3.740 0.897) 6.959 1.909 ( 0.422 2.165 -1.423) 2.625 2.066 ( 1.132 -0.289 0.690) 1.357 2.197 ( -6.653 7.535 -0.623) 10.071 2.225 ( -2.830 -6.292 -0.311) 6.906 2.357 ( 0.016 0.678 0.840) 1.080 2.536 ( 4.814 -1.790 1.529) 5.359 2.853 ( -6.492 0.889 -1.125) 6.649 3.339 ( -1.840 -0.271 -0.973) 2.099 3.530 ( 1.924 0.710 0.801) 2.202 3.549 ( 1.842 0.045 1.609) 2.446 3.679 ( 1.825 -1.598 2.392) 3.407 3.961 ( 3.745 -4.697 -7.556) 9.653 4.127 ( -0.640 3.713 2.509) 4.527 4.286 ( -6.484 0.508 -0.854) 6.559 4.782 ( 3.108 0.781 -1.757) 3.654 4.935 ( -2.875 -0.901 1.681) 3.450 5.663 ( -1.248 -0.019 0.084) 1.251 6.729 ( 5.563 1.444 0.030) 5.748 6.969 ( -3.469 -0.837 0.885) 3.676 ======================= Grid point 163 (65/116) ======================= q-point: (-0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 5.373 -3.767 -4.489) 7.950 1.409 ( -2.470 7.743 4.009) 9.062 1.694 ( 6.209 -5.981 1.602) 8.768 1.839 ( -4.197 -2.403 -0.056) 4.837 1.851 ( -0.110 -2.252 -0.313) 2.277 2.012 ( -0.257 1.432 0.679) 1.606 2.052 ( -0.413 0.022 0.507) 0.654 2.092 ( 3.750 -2.308 -1.305) 4.592 2.217 ( -4.889 7.416 0.180) 8.884 2.398 ( 2.840 -0.083 1.335) 3.139 2.611 ( 4.100 -1.714 -0.073) 4.445 2.763 ( -5.279 4.807 -0.681) 7.172 3.299 ( -1.615 -0.883 -0.810) 2.011 3.577 ( 1.579 -0.194 1.090) 1.929 3.598 ( 2.752 2.846 0.496) 3.990 3.653 ( -2.295 -4.355 -0.244) 4.928 3.931 ( 1.278 -4.927 -1.459) 5.295 4.139 ( -3.214 -1.525 -1.540) 3.876 4.223 ( -0.135 4.359 0.969) 4.467 4.786 ( 2.619 -6.773 -1.033) 7.335 4.936 ( -2.558 7.478 0.996) 7.966 5.653 ( -0.284 0.706 0.015) 0.761 6.793 ( 3.073 -6.510 0.635) 7.227 6.943 ( -1.700 6.747 -0.008) 6.958 ======================= Grid point 164 (66/116) ======================= q-point: (-0.10 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 2.430 4.208 -0.000) 4.859 1.454 ( 0.021 0.036 -0.000) 0.042 1.613 ( -4.381 -7.587 -0.000) 8.761 1.761 ( -0.899 -1.557 -0.000) 1.798 1.841 ( 0.375 0.650 -0.000) 0.750 2.029 ( 0.772 1.336 -0.000) 1.543 2.040 ( -0.529 -0.916 0.000) 1.057 2.205 ( 0.688 1.191 -0.000) 1.376 2.216 ( 3.732 6.463 -0.000) 7.463 2.419 ( -1.071 -1.855 -0.000) 2.142 2.586 ( -1.700 -2.944 -0.000) 3.399 2.819 ( 3.520 6.097 -0.000) 7.040 3.262 ( -0.986 -1.707 -0.000) 1.971 3.527 ( -4.040 -6.998 -0.000) 8.080 3.601 ( 0.320 0.554 -0.000) 0.639 3.689 ( 2.593 4.491 -0.000) 5.186 3.881 ( -2.002 -3.467 -0.000) 4.004 4.073 ( -0.853 -1.478 -0.000) 1.707 4.284 ( 1.458 2.525 -0.000) 2.916 4.750 ( -1.428 -2.473 0.000) 2.856 4.980 ( 1.672 2.896 -0.000) 3.344 5.668 ( 0.793 1.373 -0.000) 1.585 6.733 ( -2.584 -4.476 -0.000) 5.169 7.019 ( 2.649 4.588 -0.000) 5.298 ======================= Grid point 172 (67/116) ======================= q-point: (-0.40 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 0.000 3.495 -0.107) 3.496 1.287 ( -0.000 -4.581 0.127) 4.583 1.538 ( -0.000 2.816 2.365) 3.677 1.676 ( -0.000 -4.202 2.556) 4.918 1.890 ( 0.000 0.457 -1.304) 1.382 1.912 ( -0.000 -0.425 0.360) 0.557 2.013 ( -0.000 1.192 4.150) 4.318 2.244 ( -0.000 -0.814 1.078) 1.351 2.374 ( -0.000 0.123 0.329) 0.352 2.375 ( 0.000 -1.564 -3.543) 3.872 2.445 ( -0.000 2.665 1.396) 3.008 2.984 ( 0.000 0.668 -0.860) 1.089 3.422 ( -0.000 -1.326 2.244) 2.606 3.436 ( 0.000 4.787 -2.888) 5.590 3.541 ( -0.000 0.920 1.317) 1.607 3.591 ( -0.000 -5.372 4.593) 7.068 3.878 ( 0.000 -2.723 -7.434) 7.917 4.157 ( 0.000 1.113 0.218) 1.134 4.418 ( 0.000 0.766 -1.207) 1.429 4.725 ( 0.000 1.858 -2.020) 2.745 4.980 ( -0.000 -1.576 1.556) 2.215 5.696 ( -0.000 -0.048 0.216) 0.221 6.623 ( 0.000 1.476 0.283) 1.503 7.028 ( -0.000 -1.012 1.402) 1.730 ======================= Grid point 173 (68/116) ======================= q-point: (-0.30 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -3.249 -10.403 -1.979) 11.077 1.326 ( 6.836 -1.585 1.488) 7.173 1.594 ( -0.967 4.910 3.968) 6.387 1.762 ( 7.431 2.837 0.738) 7.988 1.872 ( -1.060 -0.551 -0.218) 1.214 1.902 ( 0.114 -0.136 -0.421) 0.458 2.060 ( 0.794 1.163 3.441) 3.718 2.167 ( -1.178 -10.653 0.810) 10.748 2.347 ( 0.529 -2.030 -1.579) 2.626 2.387 ( -4.660 9.177 -0.523) 10.306 2.499 ( 1.455 3.118 1.488) 3.749 2.957 ( -4.105 2.334 -0.924) 4.812 3.374 ( -3.028 0.170 -1.098) 3.226 3.503 ( 2.566 0.973 0.316) 2.763 3.540 ( 0.005 -0.899 2.995) 3.127 3.630 ( 3.931 -0.825 3.377) 5.248 3.825 ( 2.172 -4.057 -7.837) 9.088 4.153 ( -0.316 -0.183 -0.942) 1.011 4.381 ( -3.967 0.185 -0.841) 4.060 4.702 ( 1.427 -6.345 -1.800) 6.748 5.016 ( -1.184 8.146 1.258) 8.327 5.687 ( -1.109 0.267 0.185) 1.155 6.646 ( 3.136 -3.119 1.091) 4.556 7.029 ( -1.623 2.888 0.939) 3.444 ======================= Grid point 174 (69/116) ======================= q-point: (-0.20 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 4.046 -7.747 -5.624) 10.393 1.447 ( 9.581 -5.284 1.912) 11.107 1.623 ( -3.846 4.290 4.656) 7.408 1.827 ( 0.727 -3.317 -0.478) 3.430 1.858 ( -0.956 -0.018 2.494) 2.671 1.983 ( 5.311 1.505 -1.814) 5.810 2.048 ( -2.222 -2.935 2.044) 4.210 2.083 ( -0.349 0.997 0.387) 1.125 2.336 ( 1.514 -3.432 0.745) 3.824 2.381 ( -4.957 7.039 -0.739) 8.641 2.563 ( 2.076 2.854 0.151) 3.532 2.901 ( -5.414 4.704 -1.007) 7.242 3.319 ( -2.381 -0.590 -2.151) 3.262 3.545 ( 2.236 -0.973 1.522) 2.874 3.571 ( 2.384 -0.137 0.899) 2.552 3.645 ( -1.203 -3.196 0.836) 3.516 3.834 ( 4.445 -1.598 -1.122) 4.855 4.141 ( -0.075 -0.746 -2.973) 3.066 4.304 ( -4.389 0.988 0.155) 4.501 4.656 ( 2.825 -7.798 -1.879) 8.504 5.078 ( -3.079 9.597 1.034) 10.131 5.673 ( -1.030 0.848 0.057) 1.335 6.670 ( 4.153 -6.411 1.547) 7.793 7.041 ( -2.187 5.671 0.080) 6.078 ======================= Grid point 183 (70/116) ======================= q-point: (-0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -0.000 -11.294 -2.577) 11.585 1.157 ( -0.000 -12.296 4.137) 12.973 1.707 ( -0.000 8.215 3.613) 8.974 1.739 ( 0.000 8.067 -1.231) 8.160 1.844 ( -0.000 -4.280 -0.519) 4.311 1.912 ( 0.000 0.209 0.042) 0.213 2.071 ( -0.000 -8.464 1.396) 8.579 2.103 ( -0.000 1.688 4.040) 4.379 2.309 ( 0.000 -1.863 -2.651) 3.240 2.518 ( 0.000 7.140 0.251) 7.144 2.521 ( 0.000 3.702 0.963) 3.825 3.015 ( 0.000 3.256 -1.357) 3.528 3.394 ( -0.000 -2.878 -0.821) 2.992 3.488 ( -0.000 -1.277 2.975) 3.237 3.545 ( 0.000 0.672 -1.057) 1.252 3.601 ( -0.000 0.846 4.463) 4.542 3.747 ( 0.000 -1.636 -5.421) 5.662 4.137 ( 0.000 -1.279 -2.906) 3.175 4.406 ( 0.000 -0.926 -0.962) 1.336 4.608 ( -0.000 -7.983 -2.034) 8.238 5.129 ( 0.000 11.186 0.829) 11.217 5.701 ( -0.000 0.367 0.214) 0.425 6.582 ( -0.000 -5.804 1.940) 6.119 7.083 ( 0.000 4.577 0.605) 4.617 ======================= Grid point 184 (71/116) ======================= q-point: (-0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -2.361 -11.726 -3.324) 12.415 1.186 ( 10.893 -12.431 2.988) 16.796 1.747 ( -1.998 -0.412 3.887) 4.390 1.778 ( -0.254 -0.945 0.330) 1.033 1.890 ( 0.744 2.927 0.984) 3.176 1.917 ( 2.992 2.863 -2.234) 4.705 2.012 ( 2.284 -2.248 -1.733) 3.643 2.133 ( -2.082 2.420 3.608) 4.817 2.287 ( 0.387 -2.720 -1.324) 3.050 2.520 ( -3.884 5.560 -0.265) 6.787 2.583 ( 0.080 3.349 0.950) 3.482 3.014 ( -3.130 4.334 -1.686) 5.605 3.336 ( -1.984 -2.375 -1.973) 3.670 3.496 ( 2.836 -4.468 4.853) 7.180 3.549 ( -0.767 1.733 -1.319) 2.309 3.638 ( 0.518 -1.053 1.893) 2.227 3.762 ( 3.544 1.649 -0.328) 3.923 4.110 ( 0.382 -1.220 -4.278) 4.465 4.365 ( -2.704 -1.047 -0.514) 2.945 4.533 ( 1.392 -7.645 -2.472) 8.155 5.228 ( -1.999 11.150 0.633) 11.345 5.698 ( -0.873 0.608 0.109) 1.070 6.552 ( 2.727 -7.233 2.283) 8.060 7.123 ( -1.173 5.220 -0.059) 5.350 ======================= Grid point 194 (72/116) ======================= q-point: (-0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( -0.000 -12.996 -2.458) 13.226 0.918 ( -0.000 -16.437 6.372) 17.629 1.650 ( -0.000 -15.749 0.851) 15.772 1.881 ( 0.000 6.041 -0.548) 6.066 1.896 ( 0.000 9.015 -2.468) 9.347 1.919 ( 0.000 0.823 -0.520) 0.974 1.956 ( 0.000 -0.648 -3.126) 3.192 2.204 ( -0.000 2.726 4.373) 5.153 2.256 ( 0.000 -1.362 -1.651) 2.140 2.605 ( 0.000 4.011 0.819) 4.094 2.622 ( 0.000 3.865 0.982) 3.987 3.068 ( 0.000 3.706 -2.425) 4.429 3.324 ( -0.000 -2.069 0.621) 2.161 3.428 ( -0.000 -7.605 5.981) 9.675 3.606 ( 0.000 6.203 -4.007) 7.385 3.629 ( -0.000 -0.414 3.750) 3.773 3.740 ( -0.000 -0.120 0.559) 0.572 4.069 ( 0.000 -1.540 -5.358) 5.575 4.369 ( 0.000 -1.873 -0.727) 2.009 4.442 ( 0.000 -5.876 -2.751) 6.488 5.360 ( 0.000 11.473 0.392) 11.480 5.711 ( 0.000 0.406 0.092) 0.417 6.465 ( -0.000 -7.996 2.603) 8.409 7.180 ( 0.000 4.723 -0.426) 4.742 ======================= Grid point 229 (73/116) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( -0.000 0.000 14.349) 14.349 0.449 ( -0.000 0.000 14.349) 14.349 0.921 ( -0.000 0.000 28.795) 28.795 1.942 ( -0.000 0.000 0.225) 0.225 1.942 ( -0.000 0.000 0.225) 0.225 2.122 ( 0.000 -0.000 -5.218) 5.218 2.122 ( 0.000 -0.000 -5.218) 5.218 2.206 ( -0.000 0.000 0.043) 0.043 2.546 ( -0.000 0.000 1.595) 1.595 2.839 ( -0.000 0.000 0.537) 0.537 2.839 ( -0.000 0.000 0.537) 0.537 3.147 ( -0.000 0.000 3.894) 3.894 3.147 ( -0.000 0.000 3.894) 3.894 3.239 ( -0.000 0.000 4.085) 4.085 3.571 ( 0.000 -0.000 -13.788) 13.788 3.781 ( 0.000 -0.000 -1.857) 1.857 3.781 ( 0.000 -0.000 -1.857) 1.857 4.201 ( 0.000 -0.000 -0.773) 0.773 4.275 ( 0.000 -0.000 -0.349) 0.349 4.275 ( 0.000 -0.000 -0.349) 0.349 5.726 ( -0.000 0.000 0.380) 0.380 5.726 ( -0.000 0.000 0.380) 0.380 5.973 ( -0.000 0.000 3.139) 3.139 7.557 ( 0.000 -0.000 -0.534) 0.534 ======================= Grid point 230 (74/116) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( 11.341 6.548 8.473) 15.598 0.728 ( 9.512 5.492 9.021) 14.213 1.099 ( 3.894 2.248 22.112) 22.565 1.939 ( -0.867 -0.501 -0.140) 1.011 1.939 ( -0.353 -0.204 -0.023) 0.409 2.005 ( -3.383 -1.953 -4.042) 5.621 2.156 ( -2.044 -1.180 -0.321) 2.382 2.207 ( 0.030 0.017 0.011) 0.036 2.407 ( -7.156 -4.132 -0.278) 8.268 2.793 ( -3.614 -2.087 0.442) 4.197 2.812 ( -2.182 -1.260 -0.047) 2.520 3.139 ( 2.568 1.483 -0.782) 3.067 3.247 ( -1.142 -0.659 5.700) 5.851 3.310 ( 6.956 4.016 3.021) 8.582 3.450 ( -3.024 -1.746 -5.218) 6.279 3.699 ( -3.170 -1.830 -1.377) 3.911 3.808 ( -0.218 -0.126 -0.655) 0.702 4.134 ( -1.710 -0.987 -0.655) 2.081 4.277 ( 0.127 0.073 -0.762) 0.776 4.312 ( 1.602 0.925 0.298) 1.874 5.727 ( -0.102 -0.059 0.347) 0.366 5.775 ( -3.100 -1.790 -0.749) 3.657 6.011 ( 6.433 3.714 -0.411) 7.440 7.460 ( -5.756 -3.323 2.833) 7.225 ======================= Grid point 231 (75/116) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 15.773 9.106 4.129) 18.675 0.935 ( 6.549 3.781 1.018) 7.630 1.292 ( 6.722 3.881 9.716) 12.435 1.891 ( -1.835 -1.060 -0.269) 2.136 1.920 ( -1.294 -0.747 -0.096) 1.497 1.976 ( 0.397 0.229 1.349) 1.425 2.033 ( -7.729 -4.462 4.638) 10.058 2.205 ( -0.332 -0.192 -0.201) 0.433 2.306 ( -2.004 -1.157 -4.703) 5.242 2.695 ( -4.994 -2.883 -0.422) 5.782 2.753 ( -2.820 -1.628 -0.274) 3.268 3.160 ( -1.157 -0.668 -3.924) 4.145 3.276 ( 0.664 0.383 8.476) 8.510 3.409 ( 0.734 0.424 -3.300) 3.407 3.431 ( 3.003 1.733 -2.207) 4.110 3.686 ( 2.298 1.327 4.294) 5.048 3.775 ( -2.197 -1.269 0.885) 2.687 4.117 ( 0.546 0.315 -2.543) 2.620 4.272 ( -0.008 -0.005 -1.352) 1.352 4.362 ( 2.584 1.492 0.974) 3.139 5.615 ( -9.443 -5.452 1.450) 11.000 5.725 ( -0.234 -0.135 0.218) 0.347 6.194 ( 9.179 5.299 -3.361) 11.119 7.356 ( -4.855 -2.803 2.341) 6.075 ======================= Grid point 232 (76/116) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 4.600 2.656 -4.493) 6.958 1.208 ( 9.282 5.359 5.232) 11.927 1.506 ( 10.422 6.017 -3.865) 12.640 1.873 ( -0.471 -0.272 1.283) 1.394 1.889 ( -6.397 -3.693 2.085) 7.675 1.908 ( 0.922 0.533 2.650) 2.856 2.018 ( 2.070 1.195 4.439) 5.041 2.181 ( -1.860 -1.074 -0.577) 2.223 2.246 ( -1.499 -0.866 -3.874) 4.243 2.575 ( -4.869 -2.811 -1.448) 5.806 2.679 ( -3.853 -2.225 -0.401) 4.467 3.082 ( -3.811 -2.200 -2.424) 5.024 3.320 ( -0.290 -0.168 9.411) 9.417 3.365 ( -1.617 -0.934 -3.620) 4.074 3.509 ( 2.965 1.712 -1.156) 3.614 3.748 ( 0.125 0.072 0.086) 0.168 3.781 ( 2.819 1.627 3.378) 4.691 4.124 ( 0.773 0.446 -2.062) 2.247 4.274 ( 0.880 0.508 -0.701) 1.235 4.443 ( 4.613 2.664 0.314) 5.336 5.393 ( -10.486 -6.054 0.975) 12.147 5.718 ( -0.351 -0.203 0.020) 0.406 6.378 ( 8.351 4.822 -2.736) 10.024 7.256 ( -4.745 -2.740 0.923) 5.556 ======================= Grid point 233 (77/116) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 5.284 3.051 -3.369) 6.970 1.373 ( 4.340 2.506 0.259) 5.018 1.614 ( -0.648 -0.374 -3.342) 3.424 1.796 ( -1.173 -0.678 1.633) 2.122 1.861 ( -1.214 -0.701 0.011) 1.401 2.042 ( -3.440 -1.986 -2.301) 4.591 2.043 ( 9.586 5.534 -0.000) 11.069 2.159 ( 1.496 0.864 5.943) 6.189 2.206 ( -0.190 -0.110 -3.034) 3.042 2.485 ( -2.096 -1.210 -1.382) 2.787 2.561 ( -6.701 -3.869 -0.757) 7.774 2.991 ( -2.938 -1.696 -1.036) 3.547 3.335 ( 0.227 0.131 -1.086) 1.118 3.356 ( -0.617 -0.356 9.178) 9.206 3.547 ( 1.700 0.982 -0.373) 1.998 3.763 ( 0.529 0.305 -1.313) 1.448 3.808 ( -0.976 -0.564 -1.247) 1.681 4.122 ( -0.794 -0.458 0.866) 1.261 4.310 ( 2.018 1.165 1.367) 2.701 4.577 ( 7.117 4.109 -1.096) 8.291 5.165 ( -9.590 -5.537 0.232) 11.076 5.710 ( -0.311 -0.179 -0.187) 0.404 6.537 ( 6.428 3.711 -1.491) 7.570 7.155 ( -4.127 -2.383 -0.566) 4.799 ======================= Grid point 234 (78/116) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 4.008 2.314 0.078) 4.629 1.334 ( -7.535 -4.350 -3.419) 9.348 1.617 ( 4.531 2.616 -2.058) 5.622 1.786 ( -4.716 -2.723 -4.120) 6.829 1.817 ( 0.747 0.431 3.482) 3.587 1.939 ( -2.207 -1.274 -2.021) 3.252 2.156 ( 1.231 0.711 -4.423) 4.646 2.238 ( 1.552 0.896 5.802) 6.072 2.284 ( 1.580 0.912 -0.979) 2.070 2.394 ( -2.322 -1.341 -0.932) 2.838 2.472 ( 1.312 0.758 -0.615) 1.635 2.956 ( 0.034 0.020 0.371) 0.373 3.370 ( 2.803 1.618 1.478) 3.558 3.372 ( -1.453 -0.839 7.161) 7.355 3.608 ( 3.869 2.234 -0.779) 4.535 3.735 ( -3.923 -2.265 -4.700) 6.528 3.741 ( -1.751 -1.011 -1.788) 2.699 4.100 ( -1.776 -1.025 3.160) 3.767 4.361 ( 1.370 0.791 2.366) 2.846 4.688 ( 0.243 0.140 -0.300) 0.411 5.022 ( -0.344 -0.198 -0.859) 0.946 5.704 ( -0.064 -0.037 -0.310) 0.319 6.633 ( 1.819 1.050 -0.279) 2.119 7.083 ( -1.165 -0.673 -1.857) 2.293 ======================= Grid point 235 (79/116) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -11.384 -6.573 -2.132) 13.317 1.210 ( -7.897 -4.559 -2.900) 9.569 1.737 ( 3.830 2.211 -1.100) 4.557 1.743 ( 6.596 3.808 -1.531) 7.769 1.830 ( -1.757 -1.015 1.563) 2.561 1.916 ( -0.097 -0.056 -0.457) 0.470 2.078 ( -10.798 -6.234 -0.168) 12.470 2.170 ( 2.009 1.160 -4.297) 4.883 2.267 ( -0.570 -0.329 3.101) 3.170 2.524 ( 6.206 3.583 -0.575) 7.189 2.528 ( 3.353 1.936 -0.107) 3.873 2.991 ( 2.466 1.424 1.558) 3.246 3.359 ( -1.932 -1.115 3.913) 4.505 3.469 ( 4.809 2.776 3.089) 6.354 3.599 ( -5.725 -3.305 -5.970) 8.907 3.678 ( -2.624 -1.515 0.478) 3.068 3.698 ( 4.088 2.360 -4.422) 6.469 4.079 ( -1.649 -0.952 4.505) 4.891 4.385 ( -0.261 -0.151 1.910) 1.934 4.579 ( -7.384 -4.263 1.634) 8.682 5.145 ( 9.069 5.236 -1.238) 10.545 5.705 ( 0.230 0.133 -0.274) 0.381 6.602 ( -4.100 -2.367 -0.698) 4.785 7.099 ( 2.976 1.718 -1.470) 3.738 ======================= Grid point 240 (80/116) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( -0.000 -1.671 11.975) 12.092 0.795 ( -0.000 10.241 11.309) 15.257 1.208 ( -0.000 3.833 16.546) 16.984 1.937 ( -0.000 -0.542 0.011) 0.542 1.941 ( -0.000 -0.778 -0.228) 0.811 2.040 ( 0.000 2.092 -4.442) 4.910 2.149 ( 0.000 2.296 -3.601) 4.270 2.209 ( 0.000 0.573 -0.184) 0.602 2.404 ( -0.000 -12.523 3.912) 13.120 2.777 ( -0.000 -6.121 0.643) 6.155 2.796 ( -0.000 -4.809 0.337) 4.821 3.151 ( -0.000 1.549 2.338) 2.805 3.191 ( 0.000 -2.970 -3.595) 4.664 3.292 ( -0.000 0.229 8.023) 8.027 3.492 ( 0.000 3.248 -3.519) 4.788 3.719 ( 0.000 -0.024 -0.371) 0.372 3.805 ( 0.000 0.776 -0.557) 0.955 4.114 ( 0.000 -2.276 -3.206) 3.932 4.276 ( 0.000 0.797 -0.746) 1.092 4.339 ( 0.000 4.063 -1.285) 4.261 5.729 ( -0.000 -0.191 0.340) 0.390 5.766 ( -0.000 -2.709 -0.759) 2.813 6.011 ( 0.000 4.874 1.049) 4.986 7.468 ( -0.000 -6.552 2.073) 6.872 ======================= Grid point 241 (81/116) ======================= q-point: ( 0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 16.347 4.154 5.274) 17.672 0.959 ( 2.402 8.601 7.758) 11.830 1.296 ( 0.940 1.448 6.946) 7.157 1.918 ( -1.441 -0.869 -0.581) 1.780 1.930 ( -0.385 -0.246 -0.042) 0.459 2.021 ( -2.527 3.899 -1.011) 4.755 2.116 ( -4.637 -4.346 2.553) 6.849 2.214 ( -0.516 0.833 0.164) 0.994 2.281 ( -1.176 -5.771 -2.035) 6.231 2.706 ( -1.842 -6.031 -0.309) 6.313 2.745 ( 0.072 -4.976 0.483) 5.000 3.131 ( -0.088 -0.993 -3.703) 3.835 3.273 ( 7.697 0.433 1.476) 7.850 3.341 ( 0.117 0.981 9.322) 9.374 3.469 ( -2.956 1.187 -3.787) 4.948 3.723 ( -1.232 2.972 2.523) 4.088 3.800 ( -0.959 -0.430 0.719) 1.274 4.086 ( 0.748 -0.166 -5.406) 5.460 4.281 ( -0.456 1.213 -1.202) 1.768 4.367 ( 0.157 3.763 -0.016) 3.766 5.672 ( -4.604 -8.642 1.308) 9.879 5.725 ( -0.185 -0.450 0.246) 0.545 6.123 ( 5.201 8.264 -2.087) 9.985 7.390 ( -2.688 -5.676 2.095) 6.620 ======================= Grid point 242 (82/116) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 9.349 6.637 -1.217) 11.530 1.137 ( 7.287 8.031 4.994) 11.939 1.367 ( 5.959 1.200 -1.022) 6.164 1.871 ( -1.762 -1.994 0.175) 2.666 1.918 ( -1.373 -1.573 0.257) 2.104 1.968 ( -5.425 -4.768 3.291) 7.937 2.040 ( -0.016 2.057 1.438) 2.509 2.211 ( -1.499 1.272 -0.095) 1.968 2.228 ( 0.274 -1.718 -3.274) 3.708 2.599 ( -3.730 -5.264 -0.803) 6.501 2.701 ( -1.089 -2.899 0.047) 3.097 3.081 ( -1.694 -3.606 -2.460) 4.683 3.385 ( -2.881 -0.250 4.854) 5.650 3.405 ( 0.437 3.850 0.652) 3.929 3.441 ( 5.421 2.350 1.917) 6.212 3.723 ( -0.607 -2.481 2.106) 3.311 3.805 ( 0.028 2.199 1.520) 2.673 4.087 ( 2.045 1.090 -6.082) 6.509 4.275 ( -0.585 1.129 -0.740) 1.471 4.427 ( 1.961 4.380 0.760) 4.859 5.481 ( -7.792 -9.183 1.311) 12.114 5.717 ( -0.205 -0.857 0.089) 0.886 6.297 ( 6.875 7.827 -2.535) 10.722 7.293 ( -3.515 -5.152 1.133) 6.339 ======================= Grid point 243 (83/116) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 1.761 10.906 -3.435) 11.569 1.315 ( 4.675 1.793 1.536) 5.237 1.534 ( 8.522 1.758 -3.701) 9.456 1.809 ( -2.383 -4.225 0.631) 4.891 1.846 ( 1.105 -2.527 1.491) 3.135 1.955 ( 2.689 0.485 2.004) 3.388 2.050 ( -0.627 -1.673 -0.941) 2.019 2.167 ( -2.061 -0.916 -2.637) 3.471 2.249 ( 0.497 4.326 1.423) 4.581 2.481 ( -3.411 -5.075 -0.709) 6.156 2.642 ( -4.142 -0.703 -0.703) 4.260 2.991 ( -2.174 -5.165 -1.007) 5.693 3.336 ( -2.066 -0.257 0.278) 2.100 3.459 ( -1.684 5.185 4.817) 7.274 3.537 ( 1.279 1.565 2.318) 3.075 3.723 ( 2.460 -2.015 1.612) 3.565 3.815 ( -0.912 0.043 -0.936) 1.308 4.113 ( 1.969 1.065 -3.266) 3.959 4.287 ( 1.428 0.135 0.590) 1.551 4.528 ( 4.014 5.800 0.148) 7.055 5.258 ( -8.760 -8.272 0.570) 12.062 5.704 ( -0.040 -1.211 -0.104) 1.216 6.474 ( 6.377 7.038 -1.725) 9.653 7.184 ( -3.731 -4.883 -0.141) 6.147 ======================= Grid point 244 (84/116) ======================= q-point: ( 0.70 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 1.487 11.003 -1.617) 11.220 1.336 ( -2.122 -5.593 -2.799) 6.604 1.558 ( 2.660 -0.574 -1.764) 3.242 1.818 ( 1.247 0.382 3.101) 3.364 1.840 ( -2.086 0.210 -1.146) 2.389 1.968 ( -4.482 -1.552 -3.211) 5.728 2.115 ( 10.664 -1.263 2.837) 11.107 2.124 ( 1.117 1.979 -3.800) 4.428 2.318 ( 0.485 4.295 1.831) 4.694 2.381 ( -1.916 -6.707 -0.693) 7.009 2.541 ( -6.336 1.544 -1.692) 6.738 2.926 ( 0.871 -4.573 0.407) 4.673 3.323 ( 0.608 -1.103 2.059) 2.414 3.483 ( -2.593 4.094 2.577) 5.489 3.579 ( 1.423 2.279 -0.239) 2.698 3.744 ( -0.109 -1.392 2.527) 2.887 3.768 ( -3.220 0.328 -3.500) 4.767 4.126 ( -0.451 -0.238 1.326) 1.421 4.328 ( 3.214 -1.354 1.367) 3.746 4.665 ( 4.380 5.070 -0.056) 6.700 5.053 ( -6.111 -5.407 -0.449) 8.172 5.693 ( 0.345 -1.255 -0.245) 1.324 6.618 ( 3.477 5.499 -0.601) 6.534 7.081 ( -2.271 -3.974 -1.453) 4.802 ======================= Grid point 245 (85/116) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -8.076 -10.391 -1.065) 13.203 1.344 ( -4.331 6.245 -0.891) 7.652 1.649 ( 5.589 2.380 -3.431) 6.977 1.782 ( -3.004 6.298 -1.931) 7.240 1.848 ( 0.058 -0.142 2.954) 2.958 1.907 ( -0.211 -1.122 -1.022) 1.532 2.111 ( 1.776 -0.920 -3.241) 3.809 2.179 ( -7.749 -5.985 -0.735) 9.819 2.321 ( -1.689 1.588 1.626) 2.832 2.384 ( 8.574 -0.197 -0.024) 8.577 2.519 ( 1.650 2.984 -1.237) 3.627 2.939 ( 3.966 -2.430 1.359) 4.845 3.343 ( 1.853 -2.789 3.197) 4.630 3.495 ( -1.144 3.883 1.544) 4.333 3.596 ( -0.427 -1.352 -4.437) 4.658 3.698 ( -2.749 0.213 -4.458) 5.242 3.730 ( -2.700 3.164 3.733) 5.589 4.116 ( -1.274 -0.717 3.771) 4.044 4.365 ( 2.217 -2.491 1.356) 3.600 4.674 ( -6.137 -1.978 1.738) 6.678 5.038 ( 6.924 2.718 -1.627) 7.614 5.690 ( 0.780 -0.938 -0.251) 1.245 6.658 ( -3.253 1.589 -0.519) 3.657 7.048 ( 2.637 -0.721 -1.650) 3.193 ======================= Grid point 251 (86/116) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( -0.000 6.767 6.750) 9.558 1.063 ( -0.000 6.537 10.908) 12.717 1.330 ( 0.000 3.219 -0.888) 3.339 1.922 ( -0.000 -0.857 -0.241) 0.891 1.925 ( -0.000 -0.381 -0.133) 0.403 2.067 ( 0.000 1.521 -2.034) 2.540 2.130 ( -0.000 -2.582 -0.045) 2.582 2.208 ( -0.000 -11.146 2.691) 11.466 2.236 ( 0.000 2.874 -1.327) 3.166 2.649 ( -0.000 -6.649 -0.105) 6.650 2.695 ( -0.000 -4.607 0.802) 4.676 3.112 ( 0.000 -1.496 -2.924) 3.284 3.217 ( 0.000 3.084 0.878) 3.206 3.415 ( -0.000 2.924 11.965) 12.317 3.484 ( 0.000 0.325 -3.172) 3.189 3.775 ( -0.000 2.186 1.647) 2.737 3.800 ( -0.000 -1.678 1.277) 2.109 4.049 ( 0.000 0.658 -7.540) 7.569 4.294 ( 0.000 2.251 -1.581) 2.751 4.406 ( 0.000 4.138 -0.677) 4.193 5.621 ( -0.000 -10.897 1.553) 11.007 5.724 ( -0.000 -0.522 0.215) 0.565 6.159 ( 0.000 9.562 -1.878) 9.745 7.360 ( -0.000 -6.744 1.846) 6.992 ======================= Grid point 252 (87/116) ======================= q-point: ( 0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 13.840 8.383 3.202) 16.495 1.174 ( 1.288 3.694 9.386) 10.169 1.358 ( -0.432 7.782 -5.575) 9.583 1.886 ( -2.032 -1.870 -0.296) 2.777 1.920 ( -1.063 -2.303 0.258) 2.549 2.022 ( -5.178 -6.297 2.280) 8.465 2.054 ( -0.781 -0.171 -0.929) 1.226 2.161 ( 2.636 -4.711 -1.331) 5.560 2.252 ( -0.875 2.866 -0.600) 3.056 2.587 ( -0.830 -5.538 -0.609) 5.633 2.665 ( 0.752 -3.611 1.318) 3.917 3.069 ( -1.677 -2.560 -1.832) 3.567 3.313 ( 6.584 2.231 -0.187) 6.955 3.444 ( -2.276 -0.356 0.992) 2.508 3.515 ( -0.172 5.184 8.439) 9.905 3.747 ( -2.885 -1.927 2.336) 4.183 3.819 ( 0.878 0.827 1.466) 1.898 4.032 ( 1.310 1.583 -8.930) 9.163 4.301 ( -1.055 2.146 -1.492) 2.818 4.454 ( 0.991 5.030 -0.074) 5.127 5.483 ( -3.723 -11.694 1.432) 12.356 5.715 ( -0.473 -0.814 0.145) 0.952 6.280 ( 3.869 9.622 -1.913) 10.545 7.285 ( -1.782 -6.707 1.333) 7.066 ======================= Grid point 253 (88/116) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 9.350 7.504 1.815) 12.126 1.275 ( 4.882 3.564 2.561) 6.565 1.433 ( 2.181 8.476 -4.696) 9.932 1.803 ( -3.061 -6.325 0.388) 7.037 1.837 ( -1.750 -1.829 1.075) 2.751 1.959 ( -1.739 0.181 0.368) 1.787 2.034 ( -0.032 -1.555 -1.028) 1.864 2.158 ( 1.154 -2.378 -1.177) 2.894 2.269 ( 0.347 2.568 0.370) 2.618 2.496 ( -3.501 -5.031 -0.246) 6.134 2.658 ( 0.713 -2.117 0.827) 2.382 2.980 ( -3.517 -5.122 -1.097) 6.309 3.372 ( -1.336 -1.083 0.073) 1.721 3.475 ( 4.109 3.624 -0.249) 5.485 3.575 ( -0.408 0.326 3.282) 3.323 3.713 ( -0.859 -0.302 6.391) 6.456 3.844 ( -1.269 3.292 1.698) 3.916 4.044 ( 3.546 1.408 -8.486) 9.304 4.290 ( -1.252 0.588 -0.421) 1.446 4.538 ( 2.461 6.110 0.220) 6.591 5.294 ( -5.962 -10.834 0.832) 12.394 5.695 ( -0.578 -1.255 0.031) 1.382 6.444 ( 5.422 9.049 -1.403) 10.642 7.185 ( -2.885 -6.470 0.520) 7.103 ======================= Grid point 254 (89/116) ======================= q-point: ( 0.70 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 2.545 0.786 -0.893) 2.809 1.395 ( -4.453 5.272 -2.383) 7.302 1.496 ( 5.494 2.795 -0.515) 6.186 1.815 ( 0.728 0.116 2.528) 2.634 1.834 ( 3.688 3.799 -0.385) 5.309 1.950 ( 3.606 -2.263 0.096) 4.258 2.015 ( -0.562 0.694 -1.064) 1.389 2.129 ( -1.461 -1.007 -1.447) 2.289 2.320 ( 2.560 1.894 -0.181) 3.189 2.374 ( -4.504 -6.127 0.682) 7.634 2.639 ( -3.134 1.007 -0.804) 3.388 2.863 ( -1.380 -7.316 0.076) 7.445 3.336 ( -1.608 -0.770 1.070) 2.079 3.533 ( -0.414 1.511 -0.189) 1.578 3.577 ( 1.326 0.170 -1.841) 2.275 3.741 ( 0.414 -1.429 3.237) 3.562 3.860 ( -3.981 6.536 4.154) 8.708 4.097 ( 4.365 0.761 -4.250) 6.140 4.271 ( 0.387 -2.477 0.605) 2.579 4.655 ( 3.708 6.670 0.277) 7.636 5.093 ( -6.296 -8.656 0.021) 10.704 5.675 ( -0.136 -1.478 -0.085) 1.487 6.614 ( 4.766 8.289 -0.616) 9.581 7.071 ( -3.046 -6.138 -0.480) 6.869 ======================= Grid point 255 (90/116) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -7.613 -5.141 1.422) 9.296 1.409 ( 4.056 4.690 -4.294) 7.542 1.612 ( -0.225 6.718 -1.532) 6.894 1.835 ( 0.818 -0.476 2.794) 2.950 1.889 ( 1.308 2.515 1.043) 3.020 1.920 ( -5.116 1.344 -3.065) 6.114 2.074 ( 0.905 -0.857 -0.092) 1.250 2.189 ( 10.902 0.948 0.156) 10.944 2.221 ( -5.341 -7.248 0.272) 9.007 2.374 ( 0.975 1.437 -1.342) 2.195 2.563 ( -5.059 2.615 -2.049) 6.052 2.833 ( 4.461 -5.358 1.512) 7.134 3.319 ( -0.003 -1.379 1.730) 2.212 3.541 ( -0.093 2.312 -0.660) 2.406 3.580 ( -0.179 0.395 -2.543) 2.580 3.714 ( -1.896 -1.667 -1.360) 2.867 3.864 ( -5.272 4.862 4.833) 8.648 4.137 ( 0.360 0.306 1.047) 1.148 4.277 ( 4.070 -4.389 0.226) 5.990 4.754 ( -1.636 2.766 1.808) 3.688 4.961 ( 1.220 -2.606 -1.737) 3.361 5.665 ( 0.646 -1.185 -0.124) 1.356 6.730 ( -0.799 5.767 -0.076) 5.823 6.985 ( 0.979 -4.065 -1.277) 4.372 ======================= Grid point 262 (91/116) ======================= q-point: ( 0.50 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 0.000 10.982 3.105) 11.413 1.226 ( -0.000 0.237 8.928) 8.931 1.439 ( 0.000 12.403 -5.863) 13.719 1.898 ( -0.000 -1.536 -0.254) 1.557 1.898 ( -0.000 -3.846 0.209) 3.852 2.024 ( -0.000 -5.363 -0.350) 5.375 2.051 ( -0.000 -6.500 2.615) 7.006 2.069 ( -0.000 -0.639 1.199) 1.358 2.287 ( 0.000 3.765 -2.029) 4.277 2.530 ( -0.000 -4.912 -0.892) 4.992 2.632 ( -0.000 -3.996 1.075) 4.138 3.055 ( 0.000 -2.571 -1.331) 2.895 3.281 ( 0.000 3.239 -0.379) 3.261 3.460 ( -0.000 -0.912 1.373) 1.648 3.579 ( -0.000 0.574 4.834) 4.868 3.767 ( -0.000 -3.681 2.998) 4.748 3.838 ( -0.000 4.195 3.661) 5.568 4.001 ( 0.000 3.281 -9.095) 9.669 4.332 ( 0.000 3.249 -2.164) 3.904 4.488 ( 0.000 4.926 -1.097) 5.047 5.399 ( -0.000 -12.858 1.255) 12.919 5.713 ( -0.000 -0.708 0.176) 0.730 6.336 ( 0.000 10.033 -1.251) 10.111 7.238 ( -0.000 -7.153 1.404) 7.290 ======================= Grid point 263 (92/116) ======================= q-point: ( 0.60 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 10.685 9.666 2.195) 14.575 1.267 ( 0.779 1.298 4.258) 4.519 1.519 ( -1.495 8.250 -2.971) 8.895 1.806 ( -3.222 -3.902 0.696) 5.108 1.865 ( -2.303 -1.366 0.278) 2.692 1.982 ( 1.157 -1.267 0.780) 1.885 2.040 ( -3.349 0.076 -0.528) 3.391 2.075 ( 3.982 -3.460 2.252) 5.736 2.304 ( -0.904 3.282 -1.317) 3.650 2.480 ( -0.822 -4.650 -0.955) 4.817 2.603 ( 1.722 -4.879 1.548) 5.401 2.995 ( -3.196 -3.349 -1.077) 4.752 3.342 ( 2.831 1.389 -1.168) 3.363 3.464 ( 0.942 0.756 2.038) 2.369 3.576 ( -0.401 -2.752 1.237) 3.044 3.737 ( -0.547 -3.246 3.939) 5.133 3.908 ( 2.402 3.146 -0.144) 3.961 4.004 ( -1.537 6.047 -4.294) 7.574 4.330 ( -2.306 2.208 -1.879) 3.704 4.555 ( 2.279 6.025 -1.173) 6.548 5.256 ( -2.635 -12.432 0.905) 12.740 5.699 ( -0.868 -0.810 0.164) 1.199 6.456 ( 3.208 9.446 -0.715) 10.002 7.162 ( -1.623 -6.884 1.214) 7.176 ======================= Grid point 264 (93/116) ======================= q-point: ( 0.70 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 2.238 2.328 2.366) 4.003 1.377 ( 6.476 -1.111 -0.003) 6.570 1.496 ( -0.038 4.793 -0.502) 4.820 1.822 ( 1.181 3.091 1.364) 3.579 1.837 ( 0.548 3.618 -0.447) 3.686 1.961 ( -4.549 0.213 -1.538) 4.807 2.008 ( 0.980 1.593 0.115) 1.874 2.109 ( 1.662 -2.433 1.240) 3.197 2.319 ( -0.048 2.521 0.022) 2.522 2.384 ( -3.693 -6.471 -0.630) 7.477 2.618 ( 3.690 -3.618 1.930) 5.517 2.873 ( -6.059 -3.870 -1.213) 7.291 3.348 ( -0.657 -1.160 -0.614) 1.468 3.531 ( 2.982 0.641 0.220) 3.058 3.549 ( -0.405 -0.357 1.452) 1.549 3.730 ( 0.593 -2.150 3.110) 3.828 3.970 ( 5.621 -0.448 -8.989) 10.611 4.028 ( -3.228 7.729 4.977) 9.743 4.283 ( -3.283 -0.511 -0.989) 3.467 4.663 ( 3.319 6.904 -0.648) 7.688 5.089 ( -4.044 -10.344 0.582) 11.122 5.674 ( -1.094 -0.910 0.084) 1.425 6.612 ( 4.885 8.450 -0.322) 9.766 7.062 ( -3.043 -6.319 0.747) 7.054 ======================= Grid point 265 (94/116) ======================= q-point: (-0.20 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -3.167 -5.485 -0.000) 6.334 1.306 ( 1.941 3.361 0.000) 3.881 1.689 ( 4.662 8.076 -0.000) 9.325 1.848 ( 1.570 2.719 0.000) 3.140 1.855 ( -1.484 -2.571 -0.000) 2.968 1.975 ( 1.774 3.072 -0.000) 3.547 2.065 ( 3.206 5.553 -0.000) 6.412 2.083 ( -1.625 -2.815 -0.000) 3.251 2.232 ( -4.796 -8.307 -0.000) 9.593 2.359 ( 1.608 2.785 -0.000) 3.216 2.661 ( 0.786 1.362 -0.000) 1.572 2.731 ( -3.048 -5.279 -0.000) 6.095 3.319 ( -0.798 -1.383 0.000) 1.597 3.549 ( 0.863 1.495 -0.000) 1.727 3.578 ( 0.441 0.763 -0.000) 0.882 3.719 ( -1.134 -1.964 -0.000) 2.268 3.987 ( -0.473 -0.820 -0.000) 0.946 4.109 ( 3.027 5.242 -0.000) 6.053 4.207 ( -2.202 -3.814 -0.000) 4.404 4.788 ( 3.767 6.525 -0.000) 7.535 4.933 ( -4.173 -7.227 -0.000) 8.345 5.652 ( -0.371 -0.643 -0.000) 0.742 6.773 ( 4.496 7.787 -0.000) 8.992 6.946 ( -3.518 -6.094 -0.000) 7.037 ======================= Grid point 274 (95/116) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 0.000 11.325 0.866) 11.358 1.301 ( -0.000 1.879 4.091) 4.502 1.570 ( 0.000 -0.053 -0.321) 0.326 1.838 ( -0.000 -5.293 1.509) 5.504 1.838 ( 0.000 1.026 -0.756) 1.274 1.954 ( -0.000 -4.739 2.599) 5.405 2.008 ( -0.000 1.482 2.491) 2.898 2.121 ( -0.000 4.949 1.779) 5.259 2.332 ( 0.000 3.311 -4.237) 5.377 2.450 ( -0.000 -2.410 0.337) 2.433 2.527 ( -0.000 -7.982 0.996) 8.044 2.994 ( 0.000 -2.108 -0.971) 2.321 3.338 ( 0.000 3.612 -1.476) 3.902 3.459 ( -0.000 -1.084 1.873) 2.164 3.557 ( -0.000 -2.137 0.745) 2.263 3.718 ( -0.000 -4.789 4.331) 6.457 3.868 ( 0.000 -0.066 -7.473) 7.473 4.092 ( 0.000 6.247 1.739) 6.485 4.372 ( 0.000 2.869 -2.260) 3.653 4.586 ( 0.000 7.232 -1.838) 7.462 5.159 ( -0.000 -12.192 0.894) 12.225 5.703 ( -0.000 -0.523 0.261) 0.584 6.514 ( 0.000 8.364 -0.133) 8.365 7.118 ( -0.000 -6.191 1.675) 6.414 ======================= Grid point 275 (96/116) ======================= q-point: (-0.30 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 6.950 8.095 1.463) 10.769 1.303 ( -1.946 -3.724 1.603) 4.497 1.534 ( -1.440 0.692 1.421) 2.138 1.815 ( 3.074 -2.772 2.082) 4.633 1.857 ( -0.394 1.676 -1.962) 2.610 1.928 ( 0.657 -3.621 2.361) 4.372 2.068 ( 2.047 -0.098 3.604) 4.146 2.146 ( -4.768 10.490 -1.411) 11.609 2.346 ( 0.591 1.997 -1.799) 2.752 2.375 ( -3.975 -6.291 -0.212) 7.444 2.512 ( 4.137 -4.574 2.110) 6.518 2.937 ( -4.230 -1.037 -1.069) 4.485 3.350 ( -1.186 1.053 -1.858) 2.443 3.491 ( 3.094 0.238 0.929) 3.239 3.555 ( 0.378 0.004 2.436) 2.465 3.704 ( 1.382 -3.657 4.474) 5.941 3.843 ( 2.552 -1.552 -9.054) 9.534 4.131 ( -1.007 2.850 0.808) 3.129 4.351 ( -3.812 1.933 -1.788) 4.633 4.675 ( 2.360 6.885 -1.421) 7.416 5.042 ( -1.618 -9.019 1.117) 9.231 5.689 ( -1.159 -0.364 0.248) 1.240 6.613 ( 3.154 6.095 0.087) 6.863 7.058 ( -1.928 -4.505 1.729) 5.196 ======================= Grid point 285 (97/116) ======================= q-point: (-0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 0.000 5.127 -0.119) 5.128 1.298 ( -0.000 -7.749 1.607) 7.914 1.579 ( -0.000 4.605 3.047) 5.522 1.725 ( -0.000 -6.285 4.174) 7.545 1.862 ( 0.000 0.858 -2.635) 2.772 1.920 ( -0.000 -1.107 0.871) 1.409 2.084 ( -0.000 1.650 5.402) 5.648 2.265 ( -0.000 -0.137 1.631) 1.637 2.315 ( 0.000 -0.025 -4.882) 4.883 2.381 ( -0.000 -0.867 0.730) 1.133 2.461 ( -0.000 2.236 0.942) 2.426 2.968 ( 0.000 0.622 -1.160) 1.316 3.397 ( 0.000 4.464 -2.346) 5.044 3.436 ( 0.000 -1.973 -1.369) 2.402 3.576 ( -0.000 2.480 3.324) 4.147 3.663 ( -0.000 -5.540 5.273) 7.649 3.770 ( 0.000 -2.550 -6.199) 6.703 4.142 ( 0.000 -0.411 -2.313) 2.349 4.394 ( 0.000 1.366 -2.103) 2.508 4.697 ( 0.000 1.591 -1.537) 2.212 5.004 ( -0.000 -1.342 1.628) 2.110 5.700 ( -0.000 -0.075 0.332) 0.340 6.628 ( 0.000 2.246 0.380) 2.277 7.054 ( -0.000 -1.494 2.077) 2.559 ======================= Grid point 342 (98/116) ======================= q-point: ( 0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -0.000 0.000 11.345) 11.345 0.633 ( -0.000 0.000 11.345) 11.345 1.284 ( -0.000 0.000 21.730) 21.730 1.946 ( -0.000 0.000 0.207) 0.207 1.946 ( -0.000 -0.000 0.207) 0.207 2.044 ( 0.000 -0.000 -5.533) 5.533 2.044 ( 0.000 -0.000 -5.533) 5.533 2.207 ( -0.000 0.000 0.043) 0.043 2.563 ( -0.000 0.000 0.516) 0.516 2.847 ( -0.000 0.000 0.531) 0.531 2.847 ( -0.000 0.000 0.531) 0.531 3.205 ( -0.000 0.000 4.037) 4.037 3.205 ( -0.000 0.000 4.037) 4.037 3.298 ( -0.000 0.000 1.321) 1.321 3.426 ( 0.000 -0.000 -3.104) 3.104 3.751 ( 0.000 -0.000 -2.194) 2.194 3.751 ( 0.000 -0.000 -2.194) 2.194 4.132 ( 0.000 -0.000 -8.620) 8.620 4.270 ( 0.000 -0.000 -0.314) 0.314 4.270 ( 0.000 -0.000 -0.314) 0.314 5.732 ( -0.000 0.000 0.363) 0.363 5.732 ( -0.000 0.000 0.363) 0.363 6.026 ( -0.000 0.000 3.981) 3.981 7.548 ( 0.000 -0.000 -0.695) 0.695 ======================= Grid point 343 (99/116) ======================= q-point: ( 0.40 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 6.551 3.782 10.204) 12.702 0.822 ( 5.464 3.155 3.922) 7.429 1.366 ( -0.756 -0.437 14.889) 14.914 1.929 ( -2.100 -1.212 -1.149) 2.683 1.938 ( -0.534 -0.308 -0.114) 0.627 1.971 ( 0.247 0.142 -0.557) 0.626 2.119 ( 3.267 1.886 -4.279) 5.705 2.207 ( -0.019 -0.011 0.024) 0.032 2.418 ( -10.511 -6.068 1.507) 12.230 2.799 ( -3.936 -2.272 0.279) 4.553 2.811 ( -2.698 -1.558 -0.035) 3.115 3.123 ( -0.922 -0.532 -1.352) 1.721 3.332 ( 1.392 0.804 3.687) 4.022 3.332 ( 4.080 2.356 -0.156) 4.714 3.427 ( -0.815 -0.471 4.929) 5.018 3.694 ( -0.667 -0.385 0.803) 1.112 3.795 ( 1.125 0.650 -1.211) 1.776 4.064 ( -0.801 -0.462 -8.815) 8.863 4.267 ( -0.254 -0.147 -0.609) 0.676 4.308 ( 2.547 1.471 -0.507) 2.985 5.732 ( -0.157 -0.091 0.287) 0.340 5.764 ( -0.885 -0.511 -0.748) 1.267 6.030 ( 1.745 1.007 2.352) 3.097 7.484 ( -4.467 -2.579 0.845) 5.226 ======================= Grid point 344 (100/116) ======================= q-point: ( 0.50 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 3.150 1.819 -4.074) 5.461 0.964 ( 14.320 8.268 5.658) 17.477 1.394 ( -0.357 -0.206 4.214) 4.235 1.897 ( -0.721 -0.416 0.873) 1.206 1.921 ( -0.786 -0.454 0.175) 0.925 2.006 ( 2.180 1.258 3.060) 3.962 2.097 ( -6.025 -3.479 3.595) 7.831 2.203 ( -0.496 -0.286 -0.048) 0.575 2.234 ( -3.392 -1.958 -4.636) 6.069 2.686 ( -5.696 -3.289 -0.808) 6.627 2.745 ( -2.904 -1.677 -0.903) 3.473 3.108 ( -0.748 -0.432 -2.891) 3.017 3.352 ( -0.473 -0.273 -4.335) 4.369 3.411 ( 4.183 2.415 1.290) 5.000 3.440 ( -1.012 -0.584 11.796) 11.853 3.746 ( 3.168 1.829 3.901) 5.348 3.785 ( -1.556 -0.898 0.623) 1.901 4.031 ( 1.742 1.006 -9.248) 9.464 4.258 ( -0.023 -0.013 -0.559) 0.559 4.372 ( 3.012 1.739 0.655) 3.539 5.633 ( -9.176 -5.298 1.014) 10.644 5.727 ( -0.335 -0.193 0.122) 0.405 6.161 ( 8.167 4.715 -1.446) 9.541 7.379 ( -5.168 -2.984 0.971) 6.046 ======================= Grid point 345 (101/116) ======================= q-point: ( 0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 4.785 2.763 -5.936) 8.109 1.272 ( 7.604 4.390 3.939) 9.624 1.444 ( 7.359 4.249 -4.758) 9.739 1.887 ( -0.772 -0.446 0.663) 1.111 1.899 ( -3.690 -2.130 0.267) 4.269 1.966 ( -2.683 -1.549 4.107) 5.144 2.074 ( 0.738 0.426 2.475) 2.618 2.179 ( -0.617 -0.356 -5.306) 5.354 2.188 ( -0.256 -0.148 2.140) 2.161 2.552 ( -5.094 -2.941 -1.647) 6.108 2.667 ( -3.809 -2.199 -1.154) 4.547 3.052 ( -2.956 -1.706 -1.365) 3.676 3.319 ( -0.310 -0.179 -2.777) 2.800 3.449 ( -0.275 -0.159 4.708) 4.718 3.529 ( 1.839 1.062 6.521) 6.858 3.758 ( -0.658 -0.380 1.561) 1.736 3.810 ( 0.631 0.364 0.602) 0.945 4.058 ( 3.924 2.266 -6.778) 8.154 4.276 ( 1.763 1.018 1.019) 2.277 4.450 ( 3.844 2.219 0.939) 4.536 5.406 ( -10.888 -6.286 0.698) 12.592 5.718 ( -0.468 -0.270 -0.093) 0.549 6.346 ( 8.621 4.977 -1.700) 10.098 7.262 ( -5.399 -3.117 -0.081) 6.234 ======================= Grid point 346 (102/116) ======================= q-point: ( 0.70 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 7.566 4.368 -2.557) 9.103 1.352 ( 1.882 1.086 -2.884) 3.611 1.580 ( 0.729 0.421 -1.559) 1.771 1.819 ( 0.158 0.091 1.593) 1.603 1.856 ( -2.702 -1.560 -0.774) 3.214 1.998 ( -5.139 -2.967 -3.330) 6.805 2.036 ( 5.493 3.171 -1.164) 6.448 2.158 ( 1.851 1.069 -3.367) 3.988 2.253 ( 2.616 1.510 6.523) 7.188 2.465 ( -1.805 -1.042 -1.399) 2.510 2.545 ( -6.876 -3.970 -1.352) 8.054 2.985 ( -2.243 -1.295 0.174) 2.595 3.327 ( 1.736 1.003 0.046) 2.006 3.456 ( -0.956 -0.552 3.300) 3.480 3.557 ( 0.071 0.041 1.236) 1.239 3.771 ( -0.059 -0.034 3.863) 3.863 3.774 ( -2.904 -1.677 -3.369) 4.753 4.119 ( 2.429 1.402 -1.291) 3.087 4.338 ( 2.546 1.470 2.371) 3.777 4.570 ( 6.544 3.778 0.305) 7.562 5.166 ( -10.088 -5.824 -0.138) 11.649 5.707 ( -0.395 -0.228 -0.277) 0.534 6.520 ( 7.033 4.060 -0.879) 8.168 7.141 ( -4.842 -2.796 -1.362) 5.755 ======================= Grid point 353 (103/116) ======================= q-point: ( 0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -0.000 -3.558 11.173) 11.726 0.900 ( 0.000 10.429 3.452) 10.985 1.410 ( -0.000 -4.866 11.378) 12.375 1.935 ( 0.000 -0.918 -0.460) 1.027 1.936 ( -0.000 -0.672 -0.200) 0.701 2.001 ( 0.000 3.517 -0.991) 3.654 2.086 ( 0.000 4.472 -4.960) 6.678 2.208 ( 0.000 0.096 -0.022) 0.099 2.442 ( -0.000 -10.537 1.496) 10.642 2.788 ( -0.000 -6.133 0.772) 6.181 2.801 ( -0.000 -4.930 0.415) 4.947 3.140 ( 0.000 -4.096 -3.127) 5.154 3.196 ( -0.000 -0.084 3.795) 3.796 3.404 ( -0.000 3.672 2.994) 4.738 3.479 ( -0.000 0.790 6.150) 6.200 3.725 ( -0.000 2.682 1.160) 2.922 3.789 ( 0.000 2.376 -1.753) 2.953 4.012 ( 0.000 -1.133 -10.713) 10.773 4.266 ( 0.000 0.206 -0.572) 0.608 4.318 ( 0.000 4.163 -1.273) 4.353 5.733 ( -0.000 -0.241 0.245) 0.344 5.757 ( 0.000 -0.971 -0.471) 1.079 6.041 ( -0.000 0.711 2.435) 2.537 7.486 ( -0.000 -5.074 0.595) 5.109 ======================= Grid point 354 (104/116) ======================= q-point: ( 0.50 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 11.238 1.395 6.260) 12.939 1.003 ( -0.329 11.241 -0.707) 11.268 1.389 ( -0.453 -5.871 5.485) 8.048 1.913 ( -1.318 -0.980 -0.053) 1.644 1.930 ( -0.140 0.003 0.031) 0.143 2.021 ( -0.334 3.053 0.983) 3.225 2.121 ( 0.525 0.827 -1.931) 2.165 2.205 ( -0.632 -0.410 -0.916) 1.186 2.276 ( -5.928 -8.203 1.004) 10.170 2.702 ( -2.476 -6.168 -0.176) 6.649 2.751 ( -0.740 -4.286 0.334) 4.362 3.090 ( -0.332 -0.934 -1.960) 2.196 3.294 ( 6.703 0.041 1.734) 6.924 3.410 ( -2.576 2.016 -2.939) 4.398 3.518 ( -0.787 0.836 13.173) 13.223 3.756 ( -0.278 2.191 2.041) 3.007 3.806 ( -0.029 1.166 0.045) 1.167 3.962 ( 1.156 0.491 -11.489) 11.557 4.267 ( -0.294 0.779 -0.742) 1.116 4.364 ( 1.362 4.062 -0.261) 4.293 5.686 ( -4.209 -7.641 0.638) 8.747 5.728 ( -0.235 -0.488 0.144) 0.561 6.109 ( 3.954 6.351 -0.219) 7.484 7.411 ( -2.790 -5.405 0.836) 6.140 ======================= Grid point 355 (105/116) ======================= q-point: ( 0.60 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 3.376 9.053 -3.640) 10.325 1.189 ( 10.191 9.120 3.394) 14.091 1.353 ( 1.422 -3.104 -1.584) 3.764 1.880 ( -0.775 -1.938 0.708) 2.204 1.921 ( -1.232 -1.468 0.156) 1.923 2.016 ( -5.606 -7.327 3.200) 9.764 2.056 ( 1.089 -0.616 0.860) 1.518 2.161 ( -0.332 0.261 -4.224) 4.245 2.229 ( -0.415 1.943 1.007) 2.227 2.589 ( -4.264 -4.737 -0.578) 6.400 2.697 ( -2.011 -2.045 -0.664) 2.943 3.056 ( -1.387 -2.853 -0.986) 3.322 3.354 ( -3.110 3.415 -2.704) 5.352 3.421 ( 5.174 0.052 0.408) 5.191 3.583 ( -0.806 1.510 10.765) 10.901 3.758 ( -0.332 -1.474 3.817) 4.106 3.818 ( -0.391 0.963 0.145) 1.049 3.966 ( 4.265 1.953 -10.220) 11.245 4.272 ( 0.316 1.086 0.273) 1.164 4.438 ( 2.371 4.238 0.812) 4.924 5.496 ( -8.036 -9.207 0.630) 12.237 5.717 ( -0.321 -0.881 -0.006) 0.937 6.271 ( 6.660 7.745 -1.116) 10.276 7.302 ( -4.084 -5.242 0.191) 6.648 ======================= Grid point 356 (106/116) ======================= q-point: ( 0.70 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 1.921 13.073 -3.329) 13.626 1.312 ( 1.428 -0.059 -1.868) 2.352 1.502 ( 9.249 3.191 -0.572) 9.801 1.812 ( -1.956 -4.629 -0.165) 5.028 1.863 ( 0.005 -2.222 0.695) 2.329 1.983 ( 2.158 0.436 1.251) 2.532 2.035 ( -1.077 -3.406 -0.525) 3.611 2.120 ( -2.496 0.104 -3.642) 4.417 2.277 ( 1.948 2.997 2.229) 4.212 2.474 ( -3.725 -3.878 -0.135) 5.378 2.625 ( -4.849 -0.584 -1.462) 5.098 2.985 ( -1.626 -4.699 0.179) 4.975 3.334 ( -1.222 1.958 0.008) 2.307 3.481 ( 0.724 1.978 -0.439) 2.151 3.582 ( -1.996 -0.921 1.258) 2.533 3.779 ( -0.959 -1.580 0.372) 1.885 3.808 ( -0.921 1.815 6.033) 6.367 4.046 ( 6.464 2.222 -5.616) 8.846 4.304 ( 2.323 -0.355 1.649) 2.871 4.537 ( 3.553 5.429 1.073) 6.576 5.262 ( -9.183 -8.457 -0.024) 12.484 5.702 ( -0.170 -1.195 -0.170) 1.219 6.456 ( 6.625 7.351 -0.669) 9.918 7.177 ( -4.522 -4.957 -0.834) 6.761 ======================= Grid point 364 (107/116) ======================= q-point: ( 0.50 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -0.000 2.955 8.585) 9.080 1.121 ( 0.000 12.931 -2.350) 13.143 1.358 ( -0.000 -6.014 4.621) 7.584 1.917 ( 0.000 -0.876 -0.423) 0.973 1.924 ( -0.000 -0.323 -0.025) 0.324 2.062 ( -0.000 1.461 1.387) 2.015 2.111 ( 0.000 1.403 -2.647) 2.996 2.215 ( 0.000 1.462 -1.275) 1.940 2.226 ( -0.000 -12.039 -0.130) 12.040 2.656 ( -0.000 -7.529 0.963) 7.591 2.710 ( -0.000 -4.114 1.264) 4.304 3.083 ( 0.000 -0.919 -1.048) 1.394 3.243 ( -0.000 1.233 2.762) 3.024 3.445 ( 0.000 1.880 -2.218) 2.908 3.597 ( -0.000 1.191 11.962) 12.021 3.795 ( -0.000 2.015 1.637) 2.596 3.808 ( 0.000 0.459 -0.262) 0.529 3.905 ( 0.000 1.448 -11.690) 11.780 4.272 ( 0.000 1.508 -1.396) 2.055 4.394 ( 0.000 4.523 -0.889) 4.609 5.637 ( -0.000 -10.321 0.743) 10.348 5.727 ( -0.000 -0.541 0.139) 0.559 6.146 ( 0.000 8.292 -0.187) 8.294 7.379 ( -0.000 -6.508 0.886) 6.568 ======================= Grid point 365 (108/116) ======================= q-point: ( 0.60 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 10.841 6.709 4.620) 13.561 1.238 ( -0.244 14.639 -1.955) 14.771 1.319 ( -0.714 -3.683 1.982) 4.243 1.885 ( -1.531 -1.613 -0.050) 2.224 1.922 ( -0.806 -1.916 0.059) 2.079 2.038 ( -4.022 -7.488 0.049) 8.500 2.061 ( -2.854 -1.250 1.018) 3.278 2.134 ( 1.907 -0.692 -1.318) 2.419 2.242 ( 0.834 1.751 -0.794) 2.095 2.584 ( -1.146 -6.021 0.107) 6.131 2.683 ( 0.249 -3.239 1.193) 3.461 3.052 ( -1.624 -2.369 -0.479) 2.912 3.323 ( 5.723 0.511 1.514) 5.942 3.432 ( -2.469 2.900 -1.085) 3.961 3.635 ( -0.477 -1.536 4.282) 4.575 3.793 ( -1.092 -0.336 4.125) 4.280 3.846 ( 0.457 3.377 3.274) 4.725 3.878 ( 0.979 2.538 -11.050) 11.380 4.282 ( -0.159 1.638 -1.128) 1.995 4.449 ( 1.802 4.705 -0.574) 5.071 5.497 ( -3.853 -11.651 0.477) 12.281 5.716 ( -0.538 -0.798 0.094) 0.967 6.265 ( 3.599 9.474 -0.256) 10.138 7.299 ( -2.151 -6.551 0.614) 6.923 ======================= Grid point 366 (109/116) ======================= q-point: ( 0.70 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 6.277 10.871 -0.000) 12.553 1.296 ( 0.764 1.324 -0.000) 1.529 1.396 ( 5.001 8.661 -0.000) 10.001 1.806 ( -3.679 -6.373 -0.000) 7.359 1.848 ( -0.904 -1.565 -0.000) 1.808 1.961 ( -0.705 -1.221 -0.000) 1.410 2.027 ( -0.879 -1.522 -0.000) 1.758 2.148 ( -0.244 -0.422 -0.000) 0.487 2.272 ( 1.118 1.936 -0.000) 2.236 2.494 ( -2.992 -5.183 -0.000) 5.984 2.664 ( -0.667 -1.156 -0.000) 1.335 2.972 ( -3.089 -5.350 -0.000) 6.178 3.371 ( -0.512 -0.886 -0.000) 1.024 3.473 ( 2.670 4.625 -0.000) 5.341 3.596 ( -1.775 -3.074 -0.000) 3.550 3.780 ( -1.052 -1.823 -0.000) 2.105 3.908 ( 2.360 4.088 -0.000) 4.720 3.915 ( 2.288 3.963 0.000) 4.576 4.286 ( 0.019 0.033 -0.000) 0.039 4.540 ( 3.174 5.498 -0.000) 6.349 5.300 ( -6.248 -10.821 -0.000) 12.496 5.696 ( -0.698 -1.209 -0.000) 1.396 6.434 ( 5.335 9.241 -0.000) 10.670 7.189 ( -3.586 -6.211 -0.000) 7.172 ======================= Grid point 376 (110/116) ======================= q-point: ( 0.60 0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -0.000 7.655 5.468) 9.407 1.310 ( -0.000 -0.466 0.783) 0.911 1.388 ( 0.000 14.005 0.874) 14.032 1.894 ( -0.000 -1.246 -0.357) 1.296 1.900 ( -0.000 -3.792 0.045) 3.792 2.011 ( 0.000 -4.791 -1.989) 5.188 2.079 ( -0.000 -3.888 1.185) 4.065 2.107 ( -0.000 -0.252 4.268) 4.275 2.239 ( 0.000 3.393 -4.252) 5.439 2.532 ( -0.000 -5.767 1.041) 5.860 2.649 ( -0.000 -4.311 1.326) 4.510 3.044 ( -0.000 -2.772 -0.139) 2.776 3.289 ( -0.000 1.396 1.428) 1.997 3.467 ( 0.000 1.021 -0.014) 1.021 3.617 ( 0.000 -3.181 -1.512) 3.522 3.801 ( -0.000 -1.776 1.669) 2.437 3.822 ( 0.000 0.755 -7.541) 7.579 3.956 ( -0.000 8.106 5.912) 10.033 4.300 ( 0.000 2.931 -2.130) 3.623 4.469 ( 0.000 4.399 -1.457) 4.634 5.410 ( -0.000 -12.804 0.222) 12.806 5.716 ( -0.000 -0.656 0.170) 0.677 6.331 ( 0.000 9.999 0.410) 10.007 7.255 ( -0.000 -6.831 0.889) 6.889 ======================= Grid point 457 (111/116) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -0.000 0.000 6.526) 6.526 0.763 ( -0.000 0.000 6.526) 6.526 1.525 ( -0.000 0.000 11.854) 11.854 1.948 ( 0.000 0.000 0.091) 0.091 1.948 ( -0.000 0.000 0.091) 0.091 1.975 ( 0.000 -0.000 -3.680) 3.680 1.975 ( 0.000 -0.000 -3.680) 3.680 2.208 ( -0.000 0.000 0.027) 0.027 2.560 ( 0.000 -0.000 -0.646) 0.646 2.853 ( -0.000 0.000 0.322) 0.322 2.853 ( -0.000 0.000 0.322) 0.322 3.246 ( 0.000 -0.000 -4.451) 4.451 3.255 ( -0.000 0.000 2.677) 2.677 3.255 ( -0.000 0.000 2.677) 2.677 3.521 ( -0.000 0.000 11.939) 11.939 3.723 ( 0.000 0.000 -1.612) 1.612 3.723 ( 0.000 -0.000 -1.612) 1.612 3.970 ( 0.000 -0.000 -13.426) 13.426 4.267 ( 0.000 -0.000 -0.176) 0.176 4.267 ( 0.000 -0.000 -0.176) 0.176 5.736 ( -0.000 0.000 0.216) 0.216 5.736 ( -0.000 0.000 0.216) 0.216 6.076 ( -0.000 0.000 2.789) 2.789 7.538 ( 0.000 -0.000 -0.519) 0.519 ======================= Grid point 458 (112/116) ======================= q-point: ( 0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 5.214 3.011 8.410) 10.343 0.833 ( 1.136 0.656 -2.405) 2.740 1.512 ( -4.388 -2.533 5.433) 7.429 1.922 ( -0.967 -0.558 0.314) 1.160 1.936 ( -0.552 -0.319 -0.232) 0.678 1.979 ( 2.070 1.195 1.589) 2.871 2.053 ( 4.402 2.542 -4.357) 6.695 2.208 ( -0.038 -0.022 0.015) 0.047 2.439 ( -9.571 -5.526 1.223) 11.119 2.800 ( -4.368 -2.522 -0.053) 5.044 2.810 ( -3.421 -1.975 -0.154) 3.953 3.107 ( -2.553 -1.474 -0.702) 3.031 3.308 ( 1.020 0.589 -3.041) 3.261 3.354 ( 3.077 1.776 1.481) 3.849 3.577 ( -0.358 -0.207 13.000) 13.006 3.719 ( 1.861 1.074 2.486) 3.286 3.774 ( 2.431 1.404 -1.626) 3.244 3.901 ( 0.055 0.032 -12.998) 12.998 4.261 ( -0.412 -0.238 -0.238) 0.532 4.303 ( 2.945 1.700 -0.128) 3.403 5.735 ( -0.202 -0.117 0.128) 0.267 5.756 ( -0.447 -0.258 -0.358) 0.628 6.061 ( -0.283 -0.164 1.514) 1.549 7.490 ( -3.757 -2.169 0.106) 4.340 ======================= Grid point 459 (113/116) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 1.675 0.967 -7.520) 7.765 1.051 ( 12.391 7.154 6.204) 15.595 1.411 ( -4.558 -2.632 -1.660) 5.519 1.909 ( -0.661 -0.381 0.738) 1.062 1.923 ( -0.417 -0.241 0.125) 0.497 2.060 ( 3.133 1.809 4.148) 5.504 2.100 ( 0.795 0.459 -2.982) 3.120 2.204 ( -0.225 -0.130 0.315) 0.408 2.211 ( -9.986 -5.765 1.261) 11.600 2.672 ( -6.341 -3.661 -1.147) 7.412 2.729 ( -3.187 -1.840 -1.275) 3.895 3.082 ( -0.664 -0.383 -0.844) 1.140 3.292 ( -0.101 -0.058 -3.993) 3.994 3.421 ( 2.548 1.471 1.156) 3.161 3.626 ( -0.626 -0.361 10.706) 10.731 3.790 ( 2.187 1.263 2.181) 3.337 3.796 ( -0.273 -0.158 1.647) 1.677 3.877 ( 3.329 1.922 -10.730) 11.398 4.258 ( 0.493 0.285 0.551) 0.793 4.382 ( 3.606 2.082 0.765) 4.234 5.641 ( -8.835 -5.101 0.156) 10.203 5.728 ( -0.423 -0.244 -0.014) 0.489 6.148 ( 7.123 4.112 -0.469) 8.238 7.385 ( -5.363 -3.096 -0.057) 6.193 ======================= Grid point 469 (114/116) ======================= q-point: ( 0.50 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -0.000 -2.326 7.845) 8.182 0.896 ( 0.000 7.643 -3.714) 8.497 1.521 ( -0.000 -7.000 3.938) 8.032 1.930 ( 0.000 -0.729 -0.597) 0.942 1.932 ( -0.000 -0.533 0.135) 0.550 2.008 ( -0.000 4.344 1.851) 4.722 2.019 ( 0.000 4.309 -4.000) 5.880 2.208 ( -0.000 -0.025 -0.003) 0.025 2.450 ( -0.000 -9.767 -0.238) 9.770 2.797 ( -0.000 -5.634 0.474) 5.654 2.807 ( -0.000 -4.638 0.317) 4.649 3.109 ( -0.000 -3.605 -1.161) 3.788 3.254 ( -0.000 -0.401 4.173) 4.193 3.384 ( 0.000 3.771 -2.513) 4.532 3.639 ( -0.000 0.281 10.594) 10.598 3.749 ( -0.000 3.666 2.166) 4.258 3.757 ( 0.000 3.096 -2.605) 4.046 3.839 ( 0.000 -0.301 -10.921) 10.925 4.261 ( 0.000 -0.292 -0.203) 0.356 4.306 ( 0.000 3.728 -0.464) 3.757 5.735 ( -0.000 -0.257 0.070) 0.266 5.753 ( -0.000 -0.584 -0.050) 0.586 6.066 ( -0.000 -0.694 0.846) 1.095 7.490 ( -0.000 -4.317 0.119) 4.319 ======================= Grid point 470 (115/116) ======================= q-point: ( 0.60 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 2.020 3.498 -0.000) 4.040 0.984 ( 5.019 8.694 -0.000) 10.039 1.431 ( -3.491 -6.047 -0.000) 6.982 1.914 ( -0.767 -1.328 -0.000) 1.533 1.930 ( 0.056 0.097 -0.000) 0.112 2.037 ( 1.154 1.999 -0.000) 2.308 2.092 ( 2.040 3.533 -0.000) 4.080 2.199 ( -1.163 -2.015 -0.000) 2.326 2.286 ( -5.331 -9.234 -0.000) 10.663 2.701 ( -3.354 -5.810 -0.000) 6.709 2.753 ( -2.007 -3.476 -0.000) 4.014 3.077 ( -0.447 -0.773 -0.000) 0.893 3.312 ( 1.551 2.687 -0.000) 3.102 3.382 ( 0.056 0.097 0.000) 0.112 3.665 ( -0.152 -0.263 -0.000) 0.304 3.790 ( 1.310 2.270 -0.000) 2.621 3.805 ( 1.260 2.182 0.000) 2.520 3.811 ( 0.322 0.557 -0.000) 0.644 4.261 ( 0.206 0.358 -0.000) 0.413 4.362 ( 2.256 3.907 -0.000) 4.511 5.691 ( -4.112 -7.123 -0.000) 8.224 5.729 ( -0.279 -0.484 -0.000) 0.559 6.109 ( 3.219 5.575 -0.000) 6.438 7.416 ( -2.971 -5.146 -0.000) 5.943 ======================= Grid point 580 (116/116) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( -0.000 0.000 0.000) 0.000 0.810 ( -0.000 0.000 0.000) 0.000 1.611 ( -0.000 0.000 0.000) 0.000 1.946 ( -0.000 0.000 0.000) 0.000 1.946 ( -0.000 -0.000 0.000) 0.000 1.951 ( 0.000 -0.000 -0.000) 0.000 1.951 ( 0.000 -0.000 -0.000) 0.000 2.208 ( -0.000 0.000 0.000) 0.000 2.554 ( -0.000 0.000 0.000) 0.000 2.856 ( -0.000 0.000 0.000) 0.000 2.856 ( -0.000 0.000 0.000) 0.000 3.213 ( -0.000 0.000 0.000) 0.000 3.275 ( -0.000 0.000 0.000) 0.000 3.275 ( -0.000 0.000 0.000) 0.000 3.667 ( -0.000 0.000 0.000) 0.000 3.710 ( -0.000 0.000 0.000) 0.000 3.710 ( -0.000 0.000 0.000) 0.000 3.814 ( -0.000 0.000 0.000) 0.000 4.265 ( -0.000 0.000 0.000) 0.000 4.265 ( -0.000 0.000 0.000) 0.000 5.738 ( -0.000 0.000 0.000) 0.000 5.738 ( -0.000 0.000 0.000) 0.000 6.097 ( -0.000 0.000 0.000) 0.000 7.534 ( -0.000 0.000 0.000) 0.000 =================== 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 3/24000 10.0 112.233 112.233 181.821 0.000 -0.000 0.000 3/24000 20.0 21.846 21.846 21.909 0.000 -0.000 0.000 3/24000 30.0 10.872 10.872 9.489 0.000 -0.000 0.000 3/24000 40.0 7.187 7.187 5.871 0.000 -0.000 0.000 3/24000 50.0 5.401 5.401 4.250 0.000 -0.000 0.000 3/24000 60.0 4.356 4.356 3.348 0.000 -0.000 0.000 3/24000 70.0 3.668 3.668 2.774 0.000 -0.000 0.000 3/24000 80.0 3.179 3.179 2.376 0.000 -0.000 0.000 3/24000 90.0 2.811 2.811 2.082 0.000 -0.000 0.000 3/24000 100.0 2.523 2.523 1.856 0.000 -0.000 0.000 3/24000 110.0 2.291 2.291 1.675 0.000 -0.000 0.000 3/24000 120.0 2.099 2.099 1.528 0.000 -0.000 0.000 3/24000 130.0 1.937 1.937 1.405 0.000 -0.000 0.000 3/24000 140.0 1.799 1.799 1.301 0.000 -0.000 0.000 3/24000 150.0 1.680 1.680 1.211 0.000 -0.000 0.000 3/24000 160.0 1.576 1.576 1.133 0.000 -0.000 0.000 3/24000 170.0 1.484 1.484 1.065 0.000 -0.000 0.000 3/24000 180.0 1.402 1.402 1.005 0.000 -0.000 0.000 3/24000 190.0 1.329 1.329 0.951 0.000 -0.000 0.000 3/24000 200.0 1.263 1.263 0.903 0.000 -0.000 0.000 3/24000 210.0 1.203 1.203 0.859 0.000 -0.000 0.000 3/24000 220.0 1.149 1.149 0.820 0.000 -0.000 0.000 3/24000 230.0 1.100 1.100 0.784 0.000 -0.000 0.000 3/24000 240.0 1.054 1.054 0.751 0.000 -0.000 0.000 3/24000 250.0 1.012 1.012 0.721 0.000 -0.000 0.000 3/24000 260.0 0.974 0.974 0.693 0.000 -0.000 0.000 3/24000 270.0 0.938 0.938 0.667 0.000 -0.000 0.000 3/24000 280.0 0.905 0.905 0.643 0.000 -0.000 0.000 3/24000 290.0 0.874 0.874 0.621 0.000 -0.000 0.000 3/24000 300.0 0.845 0.845 0.600 0.000 -0.000 0.000 3/24000 310.0 0.818 0.818 0.581 0.000 -0.000 0.000 3/24000 320.0 0.792 0.792 0.562 0.000 -0.000 0.000 3/24000 330.0 0.769 0.769 0.545 0.000 -0.000 0.000 3/24000 340.0 0.746 0.746 0.529 0.000 -0.000 0.000 3/24000 350.0 0.725 0.725 0.514 0.000 -0.000 0.000 3/24000 360.0 0.705 0.705 0.500 0.000 -0.000 0.000 3/24000 370.0 0.686 0.686 0.486 0.000 -0.000 0.000 3/24000 380.0 0.668 0.668 0.473 0.000 -0.000 0.000 3/24000 390.0 0.651 0.651 0.461 0.000 -0.000 0.000 3/24000 400.0 0.635 0.635 0.450 0.000 -0.000 0.000 3/24000 410.0 0.619 0.619 0.439 0.000 -0.000 0.000 3/24000 420.0 0.605 0.605 0.428 0.000 -0.000 0.000 3/24000 430.0 0.591 0.591 0.418 0.000 -0.000 0.000 3/24000 440.0 0.577 0.577 0.409 0.000 -0.000 0.000 3/24000 450.0 0.565 0.565 0.400 0.000 -0.000 0.000 3/24000 460.0 0.552 0.552 0.391 0.000 -0.000 0.000 3/24000 470.0 0.541 0.541 0.383 0.000 -0.000 0.000 3/24000 480.0 0.529 0.529 0.375 0.000 -0.000 0.000 3/24000 490.0 0.519 0.519 0.367 0.000 -0.000 0.000 3/24000 500.0 0.508 0.508 0.360 0.000 -0.000 0.000 3/24000 510.0 0.498 0.498 0.353 0.000 -0.000 0.000 3/24000 520.0 0.489 0.489 0.346 0.000 -0.000 0.000 3/24000 530.0 0.480 0.480 0.339 0.000 -0.000 0.000 3/24000 540.0 0.471 0.471 0.333 0.000 -0.000 0.000 3/24000 550.0 0.462 0.462 0.327 0.000 -0.000 0.000 3/24000 560.0 0.454 0.454 0.321 0.000 -0.000 0.000 3/24000 570.0 0.446 0.446 0.316 0.000 -0.000 0.000 3/24000 580.0 0.438 0.438 0.310 0.000 -0.000 0.000 3/24000 590.0 0.431 0.431 0.305 0.000 -0.000 0.000 3/24000 600.0 0.424 0.424 0.300 0.000 -0.000 0.000 3/24000 610.0 0.417 0.417 0.295 0.000 -0.000 0.000 3/24000 620.0 0.410 0.410 0.290 0.000 -0.000 0.000 3/24000 630.0 0.404 0.404 0.286 0.000 -0.000 0.000 3/24000 640.0 0.397 0.397 0.281 0.000 -0.000 0.000 3/24000 650.0 0.391 0.391 0.277 0.000 -0.000 0.000 3/24000 660.0 0.385 0.385 0.273 0.000 -0.000 0.000 3/24000 670.0 0.380 0.380 0.269 0.000 -0.000 0.000 3/24000 680.0 0.374 0.374 0.265 0.000 -0.000 0.000 3/24000 690.0 0.369 0.369 0.261 0.000 -0.000 0.000 3/24000 700.0 0.363 0.363 0.257 0.000 -0.000 0.000 3/24000 710.0 0.358 0.358 0.253 0.000 -0.000 0.000 3/24000 720.0 0.353 0.353 0.250 0.000 -0.000 0.000 3/24000 730.0 0.349 0.349 0.246 0.000 -0.000 0.000 3/24000 740.0 0.344 0.344 0.243 0.000 -0.000 0.000 3/24000 750.0 0.339 0.339 0.240 0.000 -0.000 0.000 3/24000 760.0 0.335 0.335 0.237 0.000 -0.000 0.000 3/24000 770.0 0.331 0.331 0.234 0.000 -0.000 0.000 3/24000 780.0 0.326 0.326 0.231 0.000 -0.000 0.000 3/24000 790.0 0.322 0.322 0.228 0.000 -0.000 0.000 3/24000 800.0 0.318 0.318 0.225 0.000 -0.000 0.000 3/24000 810.0 0.314 0.314 0.222 0.000 -0.000 0.000 3/24000 820.0 0.310 0.310 0.219 0.000 -0.000 0.000 3/24000 830.0 0.307 0.307 0.217 0.000 -0.000 0.000 3/24000 840.0 0.303 0.303 0.214 0.000 -0.000 0.000 3/24000 850.0 0.299 0.299 0.212 0.000 -0.000 0.000 3/24000 860.0 0.296 0.296 0.209 0.000 -0.000 0.000 3/24000 870.0 0.293 0.293 0.207 0.000 -0.000 0.000 3/24000 880.0 0.289 0.289 0.205 0.000 -0.000 0.000 3/24000 890.0 0.286 0.286 0.202 0.000 -0.000 0.000 3/24000 900.0 0.283 0.283 0.200 0.000 -0.000 0.000 3/24000 910.0 0.280 0.280 0.198 0.000 -0.000 0.000 3/24000 920.0 0.277 0.277 0.196 0.000 -0.000 0.000 3/24000 930.0 0.274 0.274 0.194 0.000 -0.000 0.000 3/24000 940.0 0.271 0.271 0.191 0.000 -0.000 0.000 3/24000 950.0 0.268 0.268 0.189 0.000 -0.000 0.000 3/24000 960.0 0.265 0.265 0.187 0.000 -0.000 0.000 3/24000 970.0 0.262 0.262 0.186 0.000 -0.000 0.000 3/24000 980.0 0.260 0.260 0.184 0.000 -0.000 0.000 3/24000 990.0 0.257 0.257 0.182 0.000 -0.000 0.000 3/24000 1000.0 0.255 0.255 0.180 0.000 -0.000 0.000 3/24000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:26:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|