----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:41:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 3] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.877966773232867 0.000000000000000 0.000000000000000 b -2.938983386616433 5.090468548220507 0.000000000000000 c 0.000000000000000 0.000000000000000 4.777946479999999 Atomic positions (fractional): *1 F 0.84696019762042 0.15303980237958 0.22076321998913 18.998 2 F 0.30607960475916 0.15303980237958 0.22076321998913 18.998 3 F 0.84696019762042 0.69392039524084 0.22076321998913 18.998 4 F 0.15303980237958 0.84696019762042 0.77923678001087 18.998 5 F 0.69392039524084 0.84696019762042 0.77923678001087 18.998 6 F 0.15303980237958 0.30607960475916 0.77923678001087 18.998 *7 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 *8 Tl 0.66666666666667 0.33333333333333 0.68826683688408 204.383 9 Tl 0.33333333333333 0.66666666666667 0.31173316311592 204.383 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.877966773232867 0.000000000000000 0.000000000000000 b -2.938983386616433 5.090468548220507 0.000000000000000 c 0.000000000000000 0.000000000000000 4.777946479999999 Atomic positions (fractional): *1 F 0.84696019762042 0.15303980237958 0.22076321998913 18.998 > 1 2 F 0.30607960475916 0.15303980237958 0.22076321998913 18.998 > 2 3 F 0.84696019762042 0.69392039524084 0.22076321998913 18.998 > 3 4 F 0.15303980237958 0.84696019762042 0.77923678001087 18.998 > 4 5 F 0.69392039524084 0.84696019762042 0.77923678001087 18.998 > 5 6 F 0.15303980237958 0.30607960475916 0.77923678001087 18.998 > 6 *7 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 > 7 *8 Tl 0.66666666666667 0.33333333333333 0.68826683688408 204.383 > 8 9 Tl 0.33333333333333 0.66666666666667 0.31173316311592 204.383 > 9 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.755933546465734 0.000000000000000 0.000000000000000 b -5.877966773232866 10.180937096441014 0.000000000000000 c 0.000000000000000 0.000000000000000 14.333839439999997 Atomic positions (fractional): *1 F 0.42348009881021 0.07651990118979 0.07358773999638 18.998 > 1 2 F 0.92348009881021 0.07651990118979 0.07358773999638 18.998 > 1 3 F 0.42348009881021 0.57651990118979 0.07358773999638 18.998 > 1 4 F 0.92348009881021 0.57651990118979 0.07358773999638 18.998 > 1 5 F 0.42348009881021 0.07651990118979 0.40692107332971 18.998 > 1 6 F 0.92348009881021 0.07651990118979 0.40692107332971 18.998 > 1 7 F 0.42348009881021 0.57651990118979 0.40692107332971 18.998 > 1 8 F 0.92348009881021 0.57651990118979 0.40692107332971 18.998 > 1 9 F 0.42348009881021 0.07651990118979 0.74025440666304 18.998 > 1 10 F 0.92348009881021 0.07651990118979 0.74025440666304 18.998 > 1 11 F 0.42348009881021 0.57651990118979 0.74025440666304 18.998 > 1 12 F 0.92348009881021 0.57651990118979 0.74025440666304 18.998 > 1 13 F 0.15303980237958 0.07651990118979 0.07358773999638 18.998 > 2 14 F 0.65303980237958 0.07651990118979 0.07358773999638 18.998 > 2 15 F 0.15303980237958 0.57651990118979 0.07358773999638 18.998 > 2 16 F 0.65303980237958 0.57651990118979 0.07358773999638 18.998 > 2 17 F 0.15303980237958 0.07651990118979 0.40692107332971 18.998 > 2 18 F 0.65303980237958 0.07651990118979 0.40692107332971 18.998 > 2 19 F 0.15303980237958 0.57651990118979 0.40692107332971 18.998 > 2 20 F 0.65303980237958 0.57651990118979 0.40692107332971 18.998 > 2 21 F 0.15303980237958 0.07651990118979 0.74025440666304 18.998 > 2 22 F 0.65303980237958 0.07651990118979 0.74025440666304 18.998 > 2 23 F 0.15303980237958 0.57651990118979 0.74025440666304 18.998 > 2 24 F 0.65303980237958 0.57651990118979 0.74025440666304 18.998 > 2 25 F 0.42348009881021 0.34696019762042 0.07358773999638 18.998 > 3 26 F 0.92348009881021 0.34696019762042 0.07358773999638 18.998 > 3 27 F 0.42348009881021 0.84696019762042 0.07358773999638 18.998 > 3 28 F 0.92348009881021 0.84696019762042 0.07358773999638 18.998 > 3 29 F 0.42348009881021 0.34696019762042 0.40692107332971 18.998 > 3 30 F 0.92348009881021 0.34696019762042 0.40692107332971 18.998 > 3 31 F 0.42348009881021 0.84696019762042 0.40692107332971 18.998 > 3 32 F 0.92348009881021 0.84696019762042 0.40692107332971 18.998 > 3 33 F 0.42348009881021 0.34696019762042 0.74025440666304 18.998 > 3 34 F 0.92348009881021 0.34696019762042 0.74025440666304 18.998 > 3 35 F 0.42348009881021 0.84696019762042 0.74025440666304 18.998 > 3 36 F 0.92348009881021 0.84696019762042 0.74025440666304 18.998 > 3 37 F 0.07651990118979 0.42348009881021 0.25974559333696 18.998 > 4 38 F 0.57651990118979 0.42348009881021 0.25974559333696 18.998 > 4 39 F 0.07651990118979 0.92348009881021 0.25974559333696 18.998 > 4 40 F 0.57651990118979 0.92348009881021 0.25974559333696 18.998 > 4 41 F 0.07651990118979 0.42348009881021 0.59307892667029 18.998 > 4 42 F 0.57651990118979 0.42348009881021 0.59307892667029 18.998 > 4 43 F 0.07651990118979 0.92348009881021 0.59307892667029 18.998 > 4 44 F 0.57651990118979 0.92348009881021 0.59307892667029 18.998 > 4 45 F 0.07651990118979 0.42348009881021 0.92641226000362 18.998 > 4 46 F 0.57651990118979 0.42348009881021 0.92641226000362 18.998 > 4 47 F 0.07651990118979 0.92348009881021 0.92641226000362 18.998 > 4 48 F 0.57651990118979 0.92348009881021 0.92641226000362 18.998 > 4 49 F 0.34696019762042 0.42348009881021 0.25974559333696 18.998 > 5 50 F 0.84696019762042 0.42348009881021 0.25974559333696 18.998 > 5 51 F 0.34696019762042 0.92348009881021 0.25974559333696 18.998 > 5 52 F 0.84696019762042 0.92348009881021 0.25974559333696 18.998 > 5 53 F 0.34696019762042 0.42348009881021 0.59307892667029 18.998 > 5 54 F 0.84696019762042 0.42348009881021 0.59307892667029 18.998 > 5 55 F 0.34696019762042 0.92348009881021 0.59307892667029 18.998 > 5 56 F 0.84696019762042 0.92348009881021 0.59307892667029 18.998 > 5 57 F 0.34696019762042 0.42348009881021 0.92641226000362 18.998 > 5 58 F 0.84696019762042 0.42348009881021 0.92641226000362 18.998 > 5 59 F 0.34696019762042 0.92348009881021 0.92641226000362 18.998 > 5 60 F 0.84696019762042 0.92348009881021 0.92641226000362 18.998 > 5 61 F 0.07651990118979 0.15303980237958 0.25974559333696 18.998 > 6 62 F 0.57651990118979 0.15303980237958 0.25974559333696 18.998 > 6 63 F 0.07651990118979 0.65303980237958 0.25974559333696 18.998 > 6 64 F 0.57651990118979 0.65303980237958 0.25974559333696 18.998 > 6 65 F 0.07651990118979 0.15303980237958 0.59307892667029 18.998 > 6 66 F 0.57651990118979 0.15303980237958 0.59307892667029 18.998 > 6 67 F 0.07651990118979 0.65303980237958 0.59307892667029 18.998 > 6 68 F 0.57651990118979 0.65303980237958 0.59307892667029 18.998 > 6 69 F 0.07651990118979 0.15303980237958 0.92641226000362 18.998 > 6 70 F 0.57651990118979 0.15303980237958 0.92641226000362 18.998 > 6 71 F 0.07651990118979 0.65303980237958 0.92641226000362 18.998 > 6 72 F 0.57651990118979 0.65303980237958 0.92641226000362 18.998 > 6 *73 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 > 7 74 Ti 0.50000000000000 0.00000000000000 0.00000000000000 47.867 > 7 75 Ti 0.00000000000000 0.50000000000000 0.00000000000000 47.867 > 7 76 Ti 0.50000000000000 0.50000000000000 0.00000000000000 47.867 > 7 77 Ti 0.00000000000000 0.00000000000000 0.33333333333333 47.867 > 7 78 Ti 0.50000000000000 0.00000000000000 0.33333333333333 47.867 > 7 79 Ti 0.00000000000000 0.50000000000000 0.33333333333333 47.867 > 7 80 Ti 0.50000000000000 0.50000000000000 0.33333333333333 47.867 > 7 81 Ti 0.00000000000000 0.00000000000000 0.66666666666667 47.867 > 7 82 Ti 0.50000000000000 0.00000000000000 0.66666666666667 47.867 > 7 83 Ti 0.00000000000000 0.50000000000000 0.66666666666667 47.867 > 7 84 Ti 0.50000000000000 0.50000000000000 0.66666666666667 47.867 > 7 *85 Tl 0.33333333333333 0.16666666666667 0.22942227896136 204.383 > 8 86 Tl 0.83333333333333 0.16666666666667 0.22942227896136 204.383 > 8 87 Tl 0.33333333333333 0.66666666666667 0.22942227896136 204.383 > 8 88 Tl 0.83333333333333 0.66666666666667 0.22942227896136 204.383 > 8 89 Tl 0.33333333333333 0.16666666666667 0.56275561229469 204.383 > 8 90 Tl 0.83333333333333 0.16666666666667 0.56275561229469 204.383 > 8 91 Tl 0.33333333333333 0.66666666666667 0.56275561229469 204.383 > 8 92 Tl 0.83333333333333 0.66666666666667 0.56275561229469 204.383 > 8 93 Tl 0.33333333333333 0.16666666666667 0.89608894562803 204.383 > 8 94 Tl 0.83333333333333 0.16666666666667 0.89608894562803 204.383 > 8 95 Tl 0.33333333333333 0.66666666666667 0.89608894562803 204.383 > 8 96 Tl 0.83333333333333 0.66666666666667 0.89608894562803 204.383 > 8 97 Tl 0.16666666666667 0.33333333333333 0.10391105437197 204.383 > 9 98 Tl 0.66666666666667 0.33333333333333 0.10391105437197 204.383 > 9 99 Tl 0.16666666666667 0.83333333333333 0.10391105437197 204.383 > 9 100 Tl 0.66666666666667 0.83333333333333 0.10391105437197 204.383 > 9 101 Tl 0.16666666666667 0.33333333333333 0.43724438770531 204.383 > 9 102 Tl 0.66666666666667 0.33333333333333 0.43724438770531 204.383 > 9 103 Tl 0.16666666666667 0.83333333333333 0.43724438770531 204.383 > 9 104 Tl 0.66666666666667 0.83333333333333 0.43724438770531 204.383 > 9 105 Tl 0.16666666666667 0.33333333333333 0.77057772103864 204.383 > 9 106 Tl 0.66666666666667 0.33333333333333 0.77057772103864 204.383 > 9 107 Tl 0.16666666666667 0.83333333333333 0.77057772103864 204.383 > 9 108 Tl 0.66666666666667 0.83333333333333 0.77057772103864 204.383 > 9 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4090470 0.0000000 0.0000000 0.0000000 3.4090470 0.0000000 0.0000000 0.0000000 3.1958898 -------------------------- Born effective charges -------------------------- 1 F -1.6017168 0.2850658 0.6583154 0.2850658 -1.2725511 -0.3800785 0.6153126 -0.3552509 -1.3171774 2 F -1.6017168 -0.2850658 -0.6583154 -0.2850658 -1.2725511 -0.3800785 -0.6153126 -0.3552509 -1.3171774 3 F -1.1079683 -0.0000000 0.0000000 -0.0000000 -1.7662996 0.7601571 0.0000000 0.7105017 -1.3171774 4 F -1.6017168 0.2850658 0.6583154 0.2850658 -1.2725511 -0.3800785 0.6153126 -0.3552509 -1.3171774 5 F -1.6017168 -0.2850658 -0.6583154 -0.2850658 -1.2725511 -0.3800785 -0.6153126 -0.3552509 -1.3171774 6 F -1.1079683 -0.0000000 0.0000000 -0.0000000 -1.7662996 0.7601571 0.0000000 0.7105017 -1.3171774 7 Ti 4.8101960 0.0000000 0.0000000 -0.0000000 4.8101960 0.0000000 0.0000000 0.0000000 4.3977336 8 Tl 1.9063038 -0.0000000 0.0000000 -0.0000000 1.9063038 0.0000000 0.0000000 0.0000000 1.7526655 9 Tl 1.9063038 -0.0000000 0.0000000 -0.0000000 1.9063038 0.0000000 0.0000000 0.0000000 1.7526655 ---------------------------------------------------------------------------- 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: 324/324 Permutation basis: 4806/4806 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 430 Number of blocks in projector: 293 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: 194 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 78 Use standard eigh solver. Tree of FC basis block matrices: - (430, 421), data: False |-- (78, 75), data: True |-- (158, 156), data: True |-- (194, 190), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 160 - Time: 0.339 Solver_block: 160 / 160 - Time: 0.220 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.568 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 324/324 Permutation basis: 4806/4806 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 430 Number of blocks in projector: 293 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: 194 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 78 Use standard eigh solver. Tree of FC basis block matrices: - (430, 421), data: False |-- (78, 75), data: True |-- (158, 156), data: True |-- (194, 190), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:41:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:41:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 3] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.877966773232867 0.000000000000000 0.000000000000000 b -2.938983386616433 5.090468548220507 0.000000000000000 c 0.000000000000000 0.000000000000000 4.777946479999999 Atomic positions (fractional): 1 F 0.84696019762042 0.15303980237958 0.22076321998913 18.998 2 F 0.30607960475916 0.15303980237958 0.22076321998913 18.998 3 F 0.84696019762042 0.69392039524084 0.22076321998913 18.998 4 F 0.15303980237958 0.84696019762042 0.77923678001087 18.998 5 F 0.69392039524084 0.84696019762042 0.77923678001087 18.998 6 F 0.15303980237958 0.30607960475916 0.77923678001087 18.998 7 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 8 Tl 0.66666666666667 0.33333333333333 0.68826683688408 204.383 9 Tl 0.33333333333333 0.66666666666667 0.31173316311592 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.755933546465734 0.000000000000000 0.000000000000000 b -5.877966773232866 10.180937096441014 0.000000000000000 c 0.000000000000000 0.000000000000000 14.333839439999997 Atomic positions (fractional): 1 F 0.42348009881021 0.07651990118979 0.07358773999638 18.998 > 1 2 F 0.92348009881021 0.07651990118979 0.07358773999638 18.998 > 1 3 F 0.42348009881021 0.57651990118979 0.07358773999638 18.998 > 1 4 F 0.92348009881021 0.57651990118979 0.07358773999638 18.998 > 1 5 F 0.42348009881021 0.07651990118979 0.40692107332971 18.998 > 1 6 F 0.92348009881021 0.07651990118979 0.40692107332971 18.998 > 1 7 F 0.42348009881021 0.57651990118979 0.40692107332971 18.998 > 1 8 F 0.92348009881021 0.57651990118979 0.40692107332971 18.998 > 1 9 F 0.42348009881021 0.07651990118979 0.74025440666304 18.998 > 1 10 F 0.92348009881021 0.07651990118979 0.74025440666304 18.998 > 1 11 F 0.42348009881021 0.57651990118979 0.74025440666304 18.998 > 1 12 F 0.92348009881021 0.57651990118979 0.74025440666304 18.998 > 1 13 F 0.15303980237958 0.07651990118979 0.07358773999638 18.998 > 13 14 F 0.65303980237958 0.07651990118979 0.07358773999638 18.998 > 13 15 F 0.15303980237958 0.57651990118979 0.07358773999638 18.998 > 13 16 F 0.65303980237958 0.57651990118979 0.07358773999638 18.998 > 13 17 F 0.15303980237958 0.07651990118979 0.40692107332971 18.998 > 13 18 F 0.65303980237958 0.07651990118979 0.40692107332971 18.998 > 13 19 F 0.15303980237958 0.57651990118979 0.40692107332971 18.998 > 13 20 F 0.65303980237958 0.57651990118979 0.40692107332971 18.998 > 13 21 F 0.15303980237958 0.07651990118979 0.74025440666304 18.998 > 13 22 F 0.65303980237958 0.07651990118979 0.74025440666304 18.998 > 13 23 F 0.15303980237958 0.57651990118979 0.74025440666304 18.998 > 13 24 F 0.65303980237958 0.57651990118979 0.74025440666304 18.998 > 13 25 F 0.42348009881021 0.34696019762042 0.07358773999638 18.998 > 25 26 F 0.92348009881021 0.34696019762042 0.07358773999638 18.998 > 25 27 F 0.42348009881021 0.84696019762042 0.07358773999638 18.998 > 25 28 F 0.92348009881021 0.84696019762042 0.07358773999638 18.998 > 25 29 F 0.42348009881021 0.34696019762042 0.40692107332971 18.998 > 25 30 F 0.92348009881021 0.34696019762042 0.40692107332971 18.998 > 25 31 F 0.42348009881021 0.84696019762042 0.40692107332971 18.998 > 25 32 F 0.92348009881021 0.84696019762042 0.40692107332971 18.998 > 25 33 F 0.42348009881021 0.34696019762042 0.74025440666304 18.998 > 25 34 F 0.92348009881021 0.34696019762042 0.74025440666304 18.998 > 25 35 F 0.42348009881021 0.84696019762042 0.74025440666304 18.998 > 25 36 F 0.92348009881021 0.84696019762042 0.74025440666304 18.998 > 25 37 F 0.07651990118979 0.42348009881021 0.25974559333696 18.998 > 37 38 F 0.57651990118979 0.42348009881021 0.25974559333696 18.998 > 37 39 F 0.07651990118979 0.92348009881021 0.25974559333696 18.998 > 37 40 F 0.57651990118979 0.92348009881021 0.25974559333696 18.998 > 37 41 F 0.07651990118979 0.42348009881021 0.59307892667029 18.998 > 37 42 F 0.57651990118979 0.42348009881021 0.59307892667029 18.998 > 37 43 F 0.07651990118979 0.92348009881021 0.59307892667029 18.998 > 37 44 F 0.57651990118979 0.92348009881021 0.59307892667029 18.998 > 37 45 F 0.07651990118979 0.42348009881021 0.92641226000362 18.998 > 37 46 F 0.57651990118979 0.42348009881021 0.92641226000362 18.998 > 37 47 F 0.07651990118979 0.92348009881021 0.92641226000362 18.998 > 37 48 F 0.57651990118979 0.92348009881021 0.92641226000362 18.998 > 37 49 F 0.34696019762042 0.42348009881021 0.25974559333696 18.998 > 49 50 F 0.84696019762042 0.42348009881021 0.25974559333696 18.998 > 49 51 F 0.34696019762042 0.92348009881021 0.25974559333696 18.998 > 49 52 F 0.84696019762042 0.92348009881021 0.25974559333696 18.998 > 49 53 F 0.34696019762042 0.42348009881021 0.59307892667029 18.998 > 49 54 F 0.84696019762042 0.42348009881021 0.59307892667029 18.998 > 49 55 F 0.34696019762042 0.92348009881021 0.59307892667029 18.998 > 49 56 F 0.84696019762042 0.92348009881021 0.59307892667029 18.998 > 49 57 F 0.34696019762042 0.42348009881021 0.92641226000362 18.998 > 49 58 F 0.84696019762042 0.42348009881021 0.92641226000362 18.998 > 49 59 F 0.34696019762042 0.92348009881021 0.92641226000362 18.998 > 49 60 F 0.84696019762042 0.92348009881021 0.92641226000362 18.998 > 49 61 F 0.07651990118979 0.15303980237958 0.25974559333696 18.998 > 61 62 F 0.57651990118979 0.15303980237958 0.25974559333696 18.998 > 61 63 F 0.07651990118979 0.65303980237958 0.25974559333696 18.998 > 61 64 F 0.57651990118979 0.65303980237958 0.25974559333696 18.998 > 61 65 F 0.07651990118979 0.15303980237958 0.59307892667029 18.998 > 61 66 F 0.57651990118979 0.15303980237958 0.59307892667029 18.998 > 61 67 F 0.07651990118979 0.65303980237958 0.59307892667029 18.998 > 61 68 F 0.57651990118979 0.65303980237958 0.59307892667029 18.998 > 61 69 F 0.07651990118979 0.15303980237958 0.92641226000362 18.998 > 61 70 F 0.57651990118979 0.15303980237958 0.92641226000362 18.998 > 61 71 F 0.07651990118979 0.65303980237958 0.92641226000362 18.998 > 61 72 F 0.57651990118979 0.65303980237958 0.92641226000362 18.998 > 61 73 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 > 73 74 Ti 0.50000000000000 0.00000000000000 0.00000000000000 47.867 > 73 75 Ti 0.00000000000000 0.50000000000000 0.00000000000000 47.867 > 73 76 Ti 0.50000000000000 0.50000000000000 0.00000000000000 47.867 > 73 77 Ti 0.00000000000000 0.00000000000000 0.33333333333333 47.867 > 73 78 Ti 0.50000000000000 0.00000000000000 0.33333333333333 47.867 > 73 79 Ti 0.00000000000000 0.50000000000000 0.33333333333333 47.867 > 73 80 Ti 0.50000000000000 0.50000000000000 0.33333333333333 47.867 > 73 81 Ti 0.00000000000000 0.00000000000000 0.66666666666667 47.867 > 73 82 Ti 0.50000000000000 0.00000000000000 0.66666666666667 47.867 > 73 83 Ti 0.00000000000000 0.50000000000000 0.66666666666667 47.867 > 73 84 Ti 0.50000000000000 0.50000000000000 0.66666666666667 47.867 > 73 85 Tl 0.33333333333333 0.16666666666667 0.22942227896136 204.383 > 85 86 Tl 0.83333333333333 0.16666666666667 0.22942227896136 204.383 > 85 87 Tl 0.33333333333333 0.66666666666667 0.22942227896136 204.383 > 85 88 Tl 0.83333333333333 0.66666666666667 0.22942227896136 204.383 > 85 89 Tl 0.33333333333333 0.16666666666667 0.56275561229469 204.383 > 85 90 Tl 0.83333333333333 0.16666666666667 0.56275561229469 204.383 > 85 91 Tl 0.33333333333333 0.66666666666667 0.56275561229469 204.383 > 85 92 Tl 0.83333333333333 0.66666666666667 0.56275561229469 204.383 > 85 93 Tl 0.33333333333333 0.16666666666667 0.89608894562803 204.383 > 85 94 Tl 0.83333333333333 0.16666666666667 0.89608894562803 204.383 > 85 95 Tl 0.33333333333333 0.66666666666667 0.89608894562803 204.383 > 85 96 Tl 0.83333333333333 0.66666666666667 0.89608894562803 204.383 > 85 97 Tl 0.16666666666667 0.33333333333333 0.10391105437197 204.383 > 97 98 Tl 0.66666666666667 0.33333333333333 0.10391105437197 204.383 > 97 99 Tl 0.16666666666667 0.83333333333333 0.10391105437197 204.383 > 97 100 Tl 0.66666666666667 0.83333333333333 0.10391105437197 204.383 > 97 101 Tl 0.16666666666667 0.33333333333333 0.43724438770531 204.383 > 97 102 Tl 0.66666666666667 0.33333333333333 0.43724438770531 204.383 > 97 103 Tl 0.16666666666667 0.83333333333333 0.43724438770531 204.383 > 97 104 Tl 0.66666666666667 0.83333333333333 0.43724438770531 204.383 > 97 105 Tl 0.16666666666667 0.33333333333333 0.77057772103864 204.383 > 97 106 Tl 0.66666666666667 0.33333333333333 0.77057772103864 204.383 > 97 107 Tl 0.16666666666667 0.83333333333333 0.77057772103864 204.383 > 97 108 Tl 0.66666666666667 0.83333333333333 0.77057772103864 204.383 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4090470 0.0000000 0.0000000 0.0000000 3.4090470 0.0000000 0.0000000 0.0000000 3.1958898 -------------------------- Born effective charges -------------------------- 1 F -1.6017168 0.2850658 0.6583154 0.2850658 -1.2725511 -0.3800785 0.6153126 -0.3552509 -1.3171774 2 F -1.6017168 -0.2850658 -0.6583154 -0.2850658 -1.2725511 -0.3800785 -0.6153126 -0.3552509 -1.3171774 3 F -1.1079683 -0.0000000 0.0000000 -0.0000000 -1.7662996 0.7601571 0.0000000 0.7105017 -1.3171774 4 F -1.6017168 0.2850658 0.6583154 0.2850658 -1.2725511 -0.3800785 0.6153126 -0.3552509 -1.3171774 5 F -1.6017168 -0.2850658 -0.6583154 -0.2850658 -1.2725511 -0.3800785 -0.6153126 -0.3552509 -1.3171774 6 F -1.1079683 -0.0000000 0.0000000 -0.0000000 -1.7662996 0.7601571 0.0000000 0.7105017 -1.3171774 7 Ti 4.8101960 0.0000000 0.0000000 -0.0000000 4.8101960 0.0000000 0.0000000 0.0000000 4.3977336 8 Tl 1.9063038 -0.0000000 0.0000000 -0.0000000 1.9063038 0.0000000 0.0000000 0.0000000 1.7526655 9 Tl 1.9063038 -0.0000000 0.0000000 -0.0000000 1.9063038 0.0000000 0.0000000 0.0000000 1.7526655 ---------------------------------------------------------------------------- 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[ 73, 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[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) 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 2026-01-07 23:41:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:41:18]------------------------- 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 3] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.877966773232867 0.000000000000000 0.000000000000000 b -2.938983386616433 5.090468548220507 0.000000000000000 c 0.000000000000000 0.000000000000000 4.777946479999999 Atomic positions (fractional): 1 F 0.84696019762042 0.15303980237958 0.22076321998913 18.998 2 F 0.30607960475916 0.15303980237958 0.22076321998913 18.998 3 F 0.84696019762042 0.69392039524084 0.22076321998913 18.998 4 F 0.15303980237958 0.84696019762042 0.77923678001087 18.998 5 F 0.69392039524084 0.84696019762042 0.77923678001087 18.998 6 F 0.15303980237958 0.30607960475916 0.77923678001087 18.998 7 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 8 Tl 0.66666666666667 0.33333333333333 0.68826683688408 204.383 9 Tl 0.33333333333333 0.66666666666667 0.31173316311592 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.755933546465734 0.000000000000000 0.000000000000000 b -5.877966773232866 10.180937096441014 0.000000000000000 c 0.000000000000000 0.000000000000000 14.333839439999997 Atomic positions (fractional): 1 F 0.42348009881021 0.07651990118979 0.07358773999638 18.998 > 1 2 F 0.92348009881021 0.07651990118979 0.07358773999638 18.998 > 1 3 F 0.42348009881021 0.57651990118979 0.07358773999638 18.998 > 1 4 F 0.92348009881021 0.57651990118979 0.07358773999638 18.998 > 1 5 F 0.42348009881021 0.07651990118979 0.40692107332971 18.998 > 1 6 F 0.92348009881021 0.07651990118979 0.40692107332971 18.998 > 1 7 F 0.42348009881021 0.57651990118979 0.40692107332971 18.998 > 1 8 F 0.92348009881021 0.57651990118979 0.40692107332971 18.998 > 1 9 F 0.42348009881021 0.07651990118979 0.74025440666304 18.998 > 1 10 F 0.92348009881021 0.07651990118979 0.74025440666304 18.998 > 1 11 F 0.42348009881021 0.57651990118979 0.74025440666304 18.998 > 1 12 F 0.92348009881021 0.57651990118979 0.74025440666304 18.998 > 1 13 F 0.15303980237958 0.07651990118979 0.07358773999638 18.998 > 13 14 F 0.65303980237958 0.07651990118979 0.07358773999638 18.998 > 13 15 F 0.15303980237958 0.57651990118979 0.07358773999638 18.998 > 13 16 F 0.65303980237958 0.57651990118979 0.07358773999638 18.998 > 13 17 F 0.15303980237958 0.07651990118979 0.40692107332971 18.998 > 13 18 F 0.65303980237958 0.07651990118979 0.40692107332971 18.998 > 13 19 F 0.15303980237958 0.57651990118979 0.40692107332971 18.998 > 13 20 F 0.65303980237958 0.57651990118979 0.40692107332971 18.998 > 13 21 F 0.15303980237958 0.07651990118979 0.74025440666304 18.998 > 13 22 F 0.65303980237958 0.07651990118979 0.74025440666304 18.998 > 13 23 F 0.15303980237958 0.57651990118979 0.74025440666304 18.998 > 13 24 F 0.65303980237958 0.57651990118979 0.74025440666304 18.998 > 13 25 F 0.42348009881021 0.34696019762042 0.07358773999638 18.998 > 25 26 F 0.92348009881021 0.34696019762042 0.07358773999638 18.998 > 25 27 F 0.42348009881021 0.84696019762042 0.07358773999638 18.998 > 25 28 F 0.92348009881021 0.84696019762042 0.07358773999638 18.998 > 25 29 F 0.42348009881021 0.34696019762042 0.40692107332971 18.998 > 25 30 F 0.92348009881021 0.34696019762042 0.40692107332971 18.998 > 25 31 F 0.42348009881021 0.84696019762042 0.40692107332971 18.998 > 25 32 F 0.92348009881021 0.84696019762042 0.40692107332971 18.998 > 25 33 F 0.42348009881021 0.34696019762042 0.74025440666304 18.998 > 25 34 F 0.92348009881021 0.34696019762042 0.74025440666304 18.998 > 25 35 F 0.42348009881021 0.84696019762042 0.74025440666304 18.998 > 25 36 F 0.92348009881021 0.84696019762042 0.74025440666304 18.998 > 25 37 F 0.07651990118979 0.42348009881021 0.25974559333696 18.998 > 37 38 F 0.57651990118979 0.42348009881021 0.25974559333696 18.998 > 37 39 F 0.07651990118979 0.92348009881021 0.25974559333696 18.998 > 37 40 F 0.57651990118979 0.92348009881021 0.25974559333696 18.998 > 37 41 F 0.07651990118979 0.42348009881021 0.59307892667029 18.998 > 37 42 F 0.57651990118979 0.42348009881021 0.59307892667029 18.998 > 37 43 F 0.07651990118979 0.92348009881021 0.59307892667029 18.998 > 37 44 F 0.57651990118979 0.92348009881021 0.59307892667029 18.998 > 37 45 F 0.07651990118979 0.42348009881021 0.92641226000362 18.998 > 37 46 F 0.57651990118979 0.42348009881021 0.92641226000362 18.998 > 37 47 F 0.07651990118979 0.92348009881021 0.92641226000362 18.998 > 37 48 F 0.57651990118979 0.92348009881021 0.92641226000362 18.998 > 37 49 F 0.34696019762042 0.42348009881021 0.25974559333696 18.998 > 49 50 F 0.84696019762042 0.42348009881021 0.25974559333696 18.998 > 49 51 F 0.34696019762042 0.92348009881021 0.25974559333696 18.998 > 49 52 F 0.84696019762042 0.92348009881021 0.25974559333696 18.998 > 49 53 F 0.34696019762042 0.42348009881021 0.59307892667029 18.998 > 49 54 F 0.84696019762042 0.42348009881021 0.59307892667029 18.998 > 49 55 F 0.34696019762042 0.92348009881021 0.59307892667029 18.998 > 49 56 F 0.84696019762042 0.92348009881021 0.59307892667029 18.998 > 49 57 F 0.34696019762042 0.42348009881021 0.92641226000362 18.998 > 49 58 F 0.84696019762042 0.42348009881021 0.92641226000362 18.998 > 49 59 F 0.34696019762042 0.92348009881021 0.92641226000362 18.998 > 49 60 F 0.84696019762042 0.92348009881021 0.92641226000362 18.998 > 49 61 F 0.07651990118979 0.15303980237958 0.25974559333696 18.998 > 61 62 F 0.57651990118979 0.15303980237958 0.25974559333696 18.998 > 61 63 F 0.07651990118979 0.65303980237958 0.25974559333696 18.998 > 61 64 F 0.57651990118979 0.65303980237958 0.25974559333696 18.998 > 61 65 F 0.07651990118979 0.15303980237958 0.59307892667029 18.998 > 61 66 F 0.57651990118979 0.15303980237958 0.59307892667029 18.998 > 61 67 F 0.07651990118979 0.65303980237958 0.59307892667029 18.998 > 61 68 F 0.57651990118979 0.65303980237958 0.59307892667029 18.998 > 61 69 F 0.07651990118979 0.15303980237958 0.92641226000362 18.998 > 61 70 F 0.57651990118979 0.15303980237958 0.92641226000362 18.998 > 61 71 F 0.07651990118979 0.65303980237958 0.92641226000362 18.998 > 61 72 F 0.57651990118979 0.65303980237958 0.92641226000362 18.998 > 61 73 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 > 73 74 Ti 0.50000000000000 0.00000000000000 0.00000000000000 47.867 > 73 75 Ti 0.00000000000000 0.50000000000000 0.00000000000000 47.867 > 73 76 Ti 0.50000000000000 0.50000000000000 0.00000000000000 47.867 > 73 77 Ti 0.00000000000000 0.00000000000000 0.33333333333333 47.867 > 73 78 Ti 0.50000000000000 0.00000000000000 0.33333333333333 47.867 > 73 79 Ti 0.00000000000000 0.50000000000000 0.33333333333333 47.867 > 73 80 Ti 0.50000000000000 0.50000000000000 0.33333333333333 47.867 > 73 81 Ti 0.00000000000000 0.00000000000000 0.66666666666667 47.867 > 73 82 Ti 0.50000000000000 0.00000000000000 0.66666666666667 47.867 > 73 83 Ti 0.00000000000000 0.50000000000000 0.66666666666667 47.867 > 73 84 Ti 0.50000000000000 0.50000000000000 0.66666666666667 47.867 > 73 85 Tl 0.33333333333333 0.16666666666667 0.22942227896136 204.383 > 85 86 Tl 0.83333333333333 0.16666666666667 0.22942227896136 204.383 > 85 87 Tl 0.33333333333333 0.66666666666667 0.22942227896136 204.383 > 85 88 Tl 0.83333333333333 0.66666666666667 0.22942227896136 204.383 > 85 89 Tl 0.33333333333333 0.16666666666667 0.56275561229469 204.383 > 85 90 Tl 0.83333333333333 0.16666666666667 0.56275561229469 204.383 > 85 91 Tl 0.33333333333333 0.66666666666667 0.56275561229469 204.383 > 85 92 Tl 0.83333333333333 0.66666666666667 0.56275561229469 204.383 > 85 93 Tl 0.33333333333333 0.16666666666667 0.89608894562803 204.383 > 85 94 Tl 0.83333333333333 0.16666666666667 0.89608894562803 204.383 > 85 95 Tl 0.33333333333333 0.66666666666667 0.89608894562803 204.383 > 85 96 Tl 0.83333333333333 0.66666666666667 0.89608894562803 204.383 > 85 97 Tl 0.16666666666667 0.33333333333333 0.10391105437197 204.383 > 97 98 Tl 0.66666666666667 0.33333333333333 0.10391105437197 204.383 > 97 99 Tl 0.16666666666667 0.83333333333333 0.10391105437197 204.383 > 97 100 Tl 0.66666666666667 0.83333333333333 0.10391105437197 204.383 > 97 101 Tl 0.16666666666667 0.33333333333333 0.43724438770531 204.383 > 97 102 Tl 0.66666666666667 0.33333333333333 0.43724438770531 204.383 > 97 103 Tl 0.16666666666667 0.83333333333333 0.43724438770531 204.383 > 97 104 Tl 0.66666666666667 0.83333333333333 0.43724438770531 204.383 > 97 105 Tl 0.16666666666667 0.33333333333333 0.77057772103864 204.383 > 97 106 Tl 0.66666666666667 0.33333333333333 0.77057772103864 204.383 > 97 107 Tl 0.16666666666667 0.83333333333333 0.77057772103864 204.383 > 97 108 Tl 0.66666666666667 0.83333333333333 0.77057772103864 204.383 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4090470 0.0000000 0.0000000 0.0000000 3.4090470 0.0000000 0.0000000 0.0000000 3.1958898 -------------------------- Born effective charges -------------------------- 1 F -1.6017168 0.2850658 0.6583154 0.2850658 -1.2725511 -0.3800785 0.6153126 -0.3552509 -1.3171774 2 F -1.6017168 -0.2850658 -0.6583154 -0.2850658 -1.2725511 -0.3800785 -0.6153126 -0.3552509 -1.3171774 3 F -1.1079683 -0.0000000 0.0000000 -0.0000000 -1.7662996 0.7601571 0.0000000 0.7105017 -1.3171774 4 F -1.6017168 0.2850658 0.6583154 0.2850658 -1.2725511 -0.3800785 0.6153126 -0.3552509 -1.3171774 5 F -1.6017168 -0.2850658 -0.6583154 -0.2850658 -1.2725511 -0.3800785 -0.6153126 -0.3552509 -1.3171774 6 F -1.1079683 -0.0000000 0.0000000 -0.0000000 -1.7662996 0.7601571 0.0000000 0.7105017 -1.3171774 7 Ti 4.8101960 0.0000000 0.0000000 -0.0000000 4.8101960 0.0000000 0.0000000 0.0000000 4.3977336 8 Tl 1.9063038 -0.0000000 0.0000000 -0.0000000 1.9063038 0.0000000 0.0000000 0.0000000 1.7526655 9 Tl 1.9063038 -0.0000000 0.0000000 -0.0000000 1.9063038 0.0000000 0.0000000 0.0000000 1.7526655 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 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: 0.79, Number of G-points: 283, Lambda: 0.15 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: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-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 1.036 ( 0.000 0.000 0.000) 0.000 1.295 ( 0.000 0.000 0.000) 0.000 1.430 ( 0.000 0.000 0.000) 0.000 1.430 ( 0.000 0.000 0.000) 0.000 1.654 ( 0.000 0.000 0.000) 0.000 1.654 ( 0.000 0.000 0.000) 0.000 1.773 ( 0.000 0.000 0.000) 0.000 1.777 ( 0.000 0.000 0.000) 0.000 1.777 ( 0.000 0.000 0.000) 0.000 4.442 ( 0.000 0.000 0.000) 0.000 4.442 ( 0.000 0.000 0.000) 0.000 4.961 ( 0.000 0.000 0.000) 0.000 7.139 ( 0.000 0.000 0.000) 0.000 7.574 ( 0.000 0.000 0.000) 0.000 7.574 ( 0.000 0.000 0.000) 0.000 7.978 ( 0.000 0.000 0.000) 0.000 7.978 ( 0.000 0.000 0.000) 0.000 7.997 ( 0.000 0.000 0.000) 0.000 13.191 ( 0.000 0.000 0.000) 0.000 13.191 ( 0.000 0.000 0.000) 0.000 15.756 ( 0.000 0.000 0.000) 0.000 16.167 ( 0.000 0.000 0.000) 0.000 16.167 ( 0.000 0.000 0.000) 0.000 17.395 ( 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: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.212 ( 9.341 5.393 -1.432) 10.880 0.236 ( 10.191 5.884 1.084) 11.817 0.583 ( 24.752 14.291 0.366) 28.584 1.028 ( -0.711 -0.410 -0.134) 0.832 1.255 ( -3.024 -1.746 -2.366) 4.218 1.405 ( -2.103 -1.214 -1.166) 2.694 1.459 ( 2.000 1.154 1.775) 2.913 1.688 ( 2.731 1.577 -1.818) 3.640 1.803 ( 2.208 1.275 -0.361) 2.575 1.826 ( 4.406 2.544 1.159) 5.218 1.863 ( 7.249 4.185 0.196) 8.373 3.684 ( -2.733 -1.578 -1.069) 3.332 4.433 ( -0.813 -0.470 -0.868) 1.279 4.528 ( 1.179 0.681 1.329) 1.903 4.978 ( 1.487 0.858 -0.006) 1.717 7.115 ( -1.995 -1.152 0.698) 2.407 7.574 ( -0.024 -0.014 0.625) 0.626 7.628 ( 4.454 2.571 -1.594) 5.384 7.981 ( 0.337 0.195 -0.292) 0.487 7.993 ( -0.279 -0.161 0.070) 0.329 8.404 ( -0.424 -0.245 0.749) 0.894 13.197 ( 0.483 0.279 -0.573) 0.800 13.236 ( 3.923 2.265 2.207) 5.038 15.706 ( -4.355 -2.514 1.367) 5.211 16.149 ( -1.537 -0.888 0.604) 1.875 17.395 ( -0.040 -0.023 -0.002) 0.046 18.945 ( -3.026 -1.747 -2.633) 4.375 ======================= Grid point 2 (3/116) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( 9.142 5.278 0.116) 10.557 0.456 ( 9.069 5.236 1.290) 10.551 0.984 ( -0.590 -0.341 -1.213) 1.391 1.088 ( 10.940 6.316 0.871) 12.662 1.205 ( 4.128 2.383 -0.846) 4.841 1.341 ( -3.433 -1.982 -2.165) 4.516 1.514 ( 3.390 1.957 0.277) 3.924 1.766 ( 3.954 2.283 -2.802) 5.356 1.867 ( 3.264 1.884 -0.598) 3.816 1.959 ( 6.841 3.950 1.772) 8.096 2.077 ( 10.777 6.222 -0.013) 12.444 3.594 ( -5.016 -2.896 -1.481) 5.979 4.404 ( -1.779 -1.027 -1.432) 2.504 4.566 ( 2.085 1.204 2.122) 3.209 5.027 ( 2.827 1.632 -0.049) 3.265 7.057 ( -2.871 -1.657 0.822) 3.415 7.573 ( -0.109 -0.063 0.991) 0.999 7.758 ( 6.609 3.816 -3.146) 8.255 7.987 ( -0.135 -0.078 0.586) 0.606 7.992 ( 0.619 0.357 -0.454) 0.847 8.388 ( -0.998 -0.576 1.522) 1.909 13.212 ( 0.752 0.434 -0.878) 1.235 13.365 ( 7.201 4.158 3.844) 9.161 15.567 ( -7.572 -4.372 2.237) 9.025 16.101 ( -2.506 -1.447 0.943) 3.044 17.394 ( -0.067 -0.038 -0.014) 0.078 18.849 ( -5.169 -2.984 -4.473) 7.458 ======================= Grid point 3 (4/116) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 8.436 4.870 1.773) 9.901 0.640 ( 6.934 4.004 1.222) 8.100 0.916 ( -4.230 -2.442 -1.110) 5.009 1.080 ( -2.429 -1.402 0.527) 2.854 1.251 ( -4.455 -2.572 -2.890) 5.901 1.438 ( 5.222 3.015 1.197) 6.147 1.695 ( 13.377 7.723 -1.627) 15.531 1.856 ( 3.718 2.147 -2.698) 5.071 1.941 ( 3.023 1.745 -0.724) 3.565 2.116 ( 6.570 3.793 1.827) 7.803 2.318 ( 9.841 5.682 -0.416) 11.371 3.466 ( -6.023 -3.477 -1.060) 7.035 4.356 ( -2.231 -1.288 -1.467) 2.964 4.616 ( 2.161 1.248 2.101) 3.262 5.098 ( 3.194 1.844 -0.109) 3.690 6.992 ( -2.765 -1.596 0.597) 3.248 7.569 ( -0.195 -0.112 0.968) 0.994 7.904 ( 5.371 3.101 -5.325) 8.175 7.995 ( 1.347 0.778 2.107) 2.619 8.008 ( 0.707 0.408 -0.431) 0.923 8.358 ( -1.627 -0.939 2.283) 2.956 13.229 ( 0.723 0.418 -0.817) 1.169 13.550 ( 8.717 5.033 4.256) 10.928 15.378 ( -8.631 -4.983 2.235) 10.214 16.042 ( -2.536 -1.464 0.899) 3.063 17.392 ( -0.068 -0.039 -0.031) 0.085 18.724 ( -5.550 -3.204 -4.772) 7.990 ======================= Grid point 4 (5/116) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 2.255 1.302 -0.553) 2.662 0.799 ( 6.930 4.001 2.731) 8.455 0.826 ( -2.087 -1.205 1.414) 2.795 1.035 ( -1.502 -0.867 0.047) 1.734 1.143 ( -4.922 -2.842 -3.135) 6.491 1.496 ( 1.225 0.707 0.055) 1.416 1.925 ( 2.215 1.279 -1.618) 3.026 1.983 ( 9.970 5.756 -0.805) 11.540 1.997 ( 1.789 1.033 -0.503) 2.126 2.239 ( 3.987 2.302 1.167) 4.749 2.499 ( 5.765 3.328 -0.582) 6.682 3.339 ( -4.679 -2.701 -0.308) 5.412 4.311 ( -1.580 -0.912 -0.931) 2.048 4.657 ( 1.328 0.766 1.299) 2.009 5.161 ( 2.108 1.217 -0.099) 2.436 6.939 ( -1.715 -0.990 0.285) 2.001 7.565 ( -0.163 -0.094 0.588) 0.617 7.964 ( 0.780 0.450 -2.318) 2.487 8.022 ( 0.479 0.276 -0.254) 0.608 8.071 ( 4.095 2.364 -0.743) 4.786 8.317 ( -1.856 -1.071 2.501) 3.293 13.242 ( 0.437 0.252 -0.474) 0.692 13.733 ( 6.662 3.846 2.909) 8.224 15.201 ( -6.351 -3.667 1.333) 7.454 15.994 ( -1.585 -0.915 0.533) 1.906 17.391 ( -0.043 -0.025 -0.031) 0.058 18.615 ( -3.648 -2.106 -3.119) 5.242 ======================= Grid point 5 (6/116) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 0.000 0.000 -0.000) 0.000 0.834 ( 0.000 0.000 -0.000) 0.000 0.902 ( 0.000 0.000 0.000) 0.000 1.016 ( 0.000 0.000 0.000) 0.000 1.063 ( -0.000 -0.000 -0.000) 0.000 1.510 ( 0.000 0.000 0.000) 0.000 1.951 ( 0.000 0.000 0.000) 0.000 2.018 ( 0.000 0.000 0.000) 0.000 2.102 ( 0.000 0.000 -0.000) 0.000 2.286 ( 0.000 0.000 -0.000) 0.000 2.567 ( 0.000 0.000 -0.000) 0.000 3.280 ( 0.000 0.000 0.000) 0.000 4.292 ( 0.000 0.000 0.000) 0.000 4.673 ( 0.000 0.000 -0.000) 0.000 5.186 ( 0.000 0.000 0.000) 0.000 6.919 ( 0.000 0.000 -0.000) 0.000 7.563 ( 0.000 0.000 0.000) 0.000 7.971 ( 0.000 0.000 -0.000) 0.000 8.028 ( 0.000 0.000 0.000) 0.000 8.126 ( 0.000 0.000 -0.000) 0.000 8.290 ( 0.000 0.000 0.000) 0.000 13.248 ( 0.000 0.000 -0.000) 0.000 13.815 ( 0.000 0.000 0.000) 0.000 15.123 ( 0.000 0.000 0.000) 0.000 15.975 ( 0.000 0.000 -0.000) 0.000 17.390 ( 0.000 0.000 -0.000) 0.000 18.572 ( 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: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.343 ( 4.521 7.831 0.000) 9.042 0.421 ( 6.159 10.668 0.000) 12.318 0.957 ( 9.078 15.723 0.000) 18.156 1.023 ( 2.422 4.194 0.000) 4.843 1.181 ( -2.691 -4.661 0.000) 5.382 1.400 ( -0.334 -0.578 0.000) 0.668 1.480 ( 1.027 1.779 0.000) 2.054 1.751 ( 2.628 4.551 0.000) 5.255 1.863 ( 2.413 4.179 0.000) 4.825 1.897 ( 3.165 5.482 0.000) 6.330 2.019 ( 6.009 10.409 0.000) 12.019 3.619 ( -2.861 -4.955 0.000) 5.721 4.421 ( -0.508 -0.879 0.000) 1.015 4.545 ( 0.666 1.154 0.000) 1.332 5.014 ( 1.579 2.736 0.000) 3.159 7.073 ( -1.629 -2.822 0.000) 3.258 7.591 ( 0.462 0.801 0.000) 0.925 7.699 ( 3.013 5.219 0.000) 6.026 7.988 ( -0.169 -0.292 0.000) 0.337 7.991 ( 0.464 0.804 0.000) 0.929 8.394 ( -0.493 -0.854 0.000) 0.986 13.237 ( 1.165 2.017 0.000) 2.329 13.285 ( 2.535 4.392 0.000) 5.071 15.607 ( -4.150 -7.188 0.000) 8.300 16.140 ( -0.006 -0.011 0.000) 0.012 17.394 ( -0.036 -0.062 0.000) 0.071 18.868 ( -3.423 -5.929 0.000) 6.846 ======================= Grid point 13 (8/116) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( 6.873 3.735 0.889) 7.873 0.624 ( 5.593 9.292 0.623) 10.863 0.956 ( -2.684 -2.079 -0.845) 3.499 1.088 ( -2.435 -3.723 0.172) 4.452 1.272 ( 2.412 1.142 -0.076) 2.670 1.443 ( 0.676 10.038 -0.383) 10.068 1.556 ( 9.391 3.831 -0.972) 10.189 1.856 ( 2.850 6.822 -1.683) 7.583 1.946 ( 1.399 5.880 -0.507) 6.065 2.037 ( 6.864 4.323 1.352) 8.223 2.238 ( 7.603 9.144 -0.125) 11.893 3.497 ( -4.279 -6.867 -0.692) 8.121 4.395 ( -2.108 0.154 -1.034) 2.353 4.578 ( 2.374 0.144 1.399) 2.760 5.078 ( 2.235 3.160 -0.048) 3.871 7.012 ( -2.149 -2.779 0.373) 3.533 7.598 ( -1.220 2.056 0.832) 2.531 7.819 ( 5.833 2.363 -2.492) 6.769 7.985 ( 0.121 -0.158 0.507) 0.545 8.015 ( 0.831 2.083 -0.171) 2.249 8.370 ( -1.051 -1.292 1.090) 1.990 13.257 ( -1.450 3.550 -1.152) 4.004 13.419 ( 8.647 1.794 2.974) 9.318 15.439 ( -6.278 -8.138 1.105) 10.337 16.146 ( -2.800 6.065 0.806) 6.729 17.393 ( -0.054 -0.064 -0.015) 0.085 18.724 ( -3.931 -9.704 -2.740) 10.822 ======================= Grid point 14 (9/116) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 7.659 0.147 1.573) 7.820 0.762 ( 1.947 2.790 -0.102) 3.404 0.882 ( -2.925 -0.800 0.761) 3.127 1.039 ( -0.640 -0.110 0.475) 0.805 1.238 ( -4.304 0.744 -1.735) 4.700 1.482 ( 0.029 0.536 -0.056) 0.539 1.836 ( 10.798 6.818 -1.813) 12.899 1.976 ( 1.960 9.450 -1.913) 9.839 2.020 ( 0.261 6.276 0.409) 6.295 2.189 ( 5.672 3.768 1.323) 6.937 2.432 ( 6.299 5.251 -0.472) 8.214 3.352 ( -3.626 -7.972 -0.428) 8.769 4.358 ( -2.987 1.489 -1.106) 3.516 4.622 ( 2.766 -0.494 1.475) 3.173 5.143 ( 1.978 2.320 -0.089) 3.050 6.953 ( -1.724 -2.211 0.304) 2.820 7.594 ( -1.668 2.436 0.797) 3.058 7.915 ( 4.267 -1.320 -3.310) 5.560 7.991 ( 0.962 -0.397 0.972) 1.424 8.067 ( 1.757 4.117 -0.600) 4.516 8.333 ( -1.528 -1.575 1.919) 2.915 13.264 ( -1.342 2.848 -0.818) 3.253 13.589 ( 10.014 -0.917 3.038) 10.505 15.255 ( -5.983 -6.859 1.074) 9.165 16.162 ( -6.737 13.695 1.099) 15.302 17.391 ( -0.045 -0.050 -0.032) 0.075 18.564 ( -1.014 -13.267 -3.251) 13.697 ======================= Grid point 15 (10/116) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 1.916 -4.476 0.339) 4.881 0.770 ( 4.257 0.245 0.197) 4.268 0.845 ( -0.874 -3.780 0.570) 3.921 1.075 ( 0.161 6.908 1.609) 7.095 1.165 ( -6.324 3.182 -2.092) 7.382 1.482 ( 1.224 -2.230 -0.179) 2.550 1.979 ( 0.828 4.124 -1.012) 4.326 2.057 ( -1.408 5.031 -0.738) 5.276 2.117 ( 1.186 7.716 0.457) 7.820 2.286 ( 1.690 2.386 0.546) 2.974 2.542 ( 2.881 0.851 -0.368) 3.027 3.242 ( 0.184 -7.086 -0.033) 7.088 4.330 ( -2.539 2.839 -0.455) 3.836 4.653 ( 1.650 -1.086 0.604) 2.065 5.183 ( 0.777 0.854 -0.048) 1.156 6.916 ( -0.430 -1.255 0.105) 1.330 7.591 ( -1.635 2.600 0.314) 3.088 7.946 ( 2.015 -2.321 -1.194) 3.298 8.003 ( 1.101 -1.140 0.348) 1.623 8.136 ( 1.074 3.181 -1.033) 3.513 8.294 ( -1.064 -1.259 1.476) 2.213 13.268 ( -1.165 2.192 -0.284) 2.498 13.713 ( 7.239 -5.291 1.289) 9.059 15.127 ( -2.322 -3.336 0.403) 4.085 16.180 ( -10.342 19.027 0.532) 21.663 17.390 ( -0.014 -0.025 -0.019) 0.034 18.454 ( 4.671 -14.315 -1.446) 15.127 ======================= Grid point 23 (11/116) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 1.931 3.345 0.000) 3.863 0.759 ( 1.803 3.123 0.000) 3.606 0.902 ( -2.034 -3.524 0.000) 4.069 1.049 ( 0.766 1.327 0.000) 1.532 1.272 ( -0.319 -0.553 0.000) 0.639 1.499 ( -0.813 -1.408 0.000) 1.626 1.765 ( 7.537 13.055 0.000) 15.074 2.019 ( 5.294 9.170 0.000) 10.588 2.072 ( 3.403 5.894 0.000) 6.805 2.136 ( 3.480 6.027 0.000) 6.960 2.405 ( 4.186 7.251 0.000) 8.373 3.336 ( -5.240 -9.077 0.000) 10.481 4.404 ( 0.311 0.539 0.000) 0.623 4.583 ( 0.370 0.641 0.000) 0.740 5.138 ( 1.580 2.736 0.000) 3.160 6.956 ( -1.572 -2.723 0.000) 3.145 7.635 ( 0.865 1.498 0.000) 1.730 7.854 ( 0.743 1.287 0.000) 1.486 7.983 ( 0.009 0.016 0.000) 0.018 8.073 ( 2.078 3.599 0.000) 4.156 8.339 ( -1.084 -1.877 0.000) 2.168 13.317 ( 1.018 1.763 0.000) 2.036 13.463 ( 1.899 3.289 0.000) 3.797 15.272 ( -4.809 -8.329 0.000) 9.617 16.321 ( 6.418 11.116 0.000) 12.836 17.391 ( -0.038 -0.065 0.000) 0.076 18.484 ( -8.112 -14.051 0.000) 16.225 ======================= Grid point 24 (12/116) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 3.126 -2.529 0.510) 4.053 0.760 ( -0.552 -0.803 -0.476) 1.085 0.833 ( -1.696 -3.433 0.478) 3.859 1.128 ( 2.009 6.660 0.917) 7.017 1.257 ( -1.707 0.918 -0.662) 2.048 1.454 ( -1.264 -2.979 -0.290) 3.249 1.975 ( 4.782 6.610 -0.754) 8.194 2.149 ( -1.227 7.772 -2.422) 8.232 2.200 ( 2.918 10.530 3.166) 11.377 2.262 ( 4.396 3.830 -0.568) 5.859 2.512 ( 2.437 3.272 -0.248) 4.087 3.161 ( -2.759 -11.264 -0.009) 11.597 4.411 ( -1.935 3.634 -0.493) 4.147 4.603 ( 2.095 -1.425 0.588) 2.601 5.179 ( 0.864 1.296 -0.033) 1.558 6.912 ( -0.877 -1.838 0.066) 2.038 7.654 ( -1.364 3.458 0.413) 3.740 7.872 ( 2.270 -2.806 -0.984) 3.741 7.985 ( 0.343 -0.213 0.271) 0.486 8.145 ( 1.813 3.593 -0.590) 4.067 8.299 ( -1.287 -1.921 0.836) 2.459 13.328 ( -2.084 3.342 -0.540) 3.975 13.538 ( 6.072 -3.574 1.129) 7.135 15.132 ( -3.170 -5.246 0.180) 6.132 16.547 ( -1.848 24.258 0.726) 24.339 17.390 ( -0.022 -0.041 -0.023) 0.052 18.212 ( -1.430 -22.032 -1.177) 22.110 ======================= Grid point 25 (13/116) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 3.164 -5.480 -0.000) 6.327 0.777 ( 0.310 -0.538 0.000) 0.621 0.778 ( 0.776 -1.345 -0.000) 1.553 1.198 ( -2.423 4.196 -0.000) 4.845 1.234 ( -1.999 3.462 0.000) 3.997 1.423 ( 1.839 -3.185 -0.000) 3.678 2.047 ( -1.274 2.206 0.000) 2.547 2.176 ( -3.769 6.529 0.000) 7.539 2.289 ( -4.599 7.965 -0.000) 9.197 2.323 ( -0.586 1.015 0.000) 1.172 2.552 ( -1.011 1.751 0.000) 2.022 3.069 ( 5.767 -9.988 -0.000) 11.533 4.412 ( -2.849 4.935 -0.000) 5.699 4.615 ( 1.593 -2.759 0.000) 3.185 5.193 ( -0.114 0.197 -0.000) 0.228 6.894 ( 0.496 -0.859 0.000) 0.992 7.659 ( -2.380 4.123 -0.000) 4.761 7.877 ( 2.468 -4.274 0.000) 4.935 7.988 ( 0.283 -0.490 0.000) 0.566 8.186 ( -1.076 1.864 0.000) 2.152 8.271 ( 0.571 -0.989 0.000) 1.142 13.325 ( -2.073 3.590 0.000) 4.145 13.575 ( 4.315 -7.473 -0.000) 8.629 15.077 ( 1.015 -1.758 -0.000) 2.030 16.666 ( -16.060 27.817 0.000) 32.120 17.390 ( 0.009 -0.016 0.000) 0.019 18.075 ( 13.197 -22.859 -0.000) 26.395 ======================= Grid point 35 (14/116) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( -1.204 -2.085 0.000) 2.408 0.757 ( 0.269 0.466 0.000) 0.538 0.780 ( -1.060 -1.836 0.000) 2.120 1.241 ( 2.432 4.213 0.000) 4.865 1.270 ( 0.199 0.344 0.000) 0.398 1.386 ( -1.867 -3.234 0.000) 3.734 2.067 ( 1.432 2.480 0.000) 2.863 2.285 ( 2.580 4.468 0.000) 5.159 2.298 ( 1.586 2.747 0.000) 3.171 2.357 ( 0.622 1.077 0.000) 1.243 2.623 ( 5.303 9.184 0.000) 10.605 2.924 ( -6.812 -11.799 0.000) 13.624 4.485 ( 1.906 3.302 0.000) 3.813 4.567 ( -1.196 -2.071 0.000) 2.392 5.194 ( 0.178 0.308 0.000) 0.355 6.886 ( -0.409 -0.709 0.000) 0.819 7.722 ( 1.810 3.135 0.000) 3.619 7.812 ( -1.694 -2.934 0.000) 3.388 7.983 ( -0.028 -0.048 0.000) 0.056 8.205 ( 1.455 2.520 0.000) 2.910 8.259 ( -1.142 -1.978 0.000) 2.284 13.387 ( 1.418 2.456 0.000) 2.835 13.471 ( -1.575 -2.729 0.000) 3.151 15.060 ( -1.130 -1.957 0.000) 2.260 17.058 ( 14.517 25.144 0.000) 29.034 17.390 ( -0.009 -0.015 0.000) 0.017 17.736 ( -13.902 -24.079 0.000) 27.804 ======================= Grid point 109 (15/116) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.262 ( 0.000 -0.000 12.359) 12.359 0.262 ( 0.000 -0.000 12.359) 12.359 0.526 ( 0.000 0.000 24.471) 24.471 1.042 ( 0.000 -0.000 0.549) 0.549 1.414 ( 0.000 0.000 -1.564) 1.564 1.414 ( 0.000 -0.000 -1.564) 1.564 1.641 ( 0.000 0.000 -0.564) 0.564 1.641 ( 0.000 -0.000 -0.564) 0.564 1.818 ( 0.000 0.000 3.233) 3.233 1.818 ( 0.000 0.000 3.233) 3.233 1.821 ( 0.000 -0.000 4.384) 4.384 3.162 ( 0.000 -0.000 -0.203) 0.203 4.385 ( 0.000 -0.000 -5.292) 5.292 4.385 ( 0.000 0.000 -5.292) 5.292 4.946 ( 0.000 0.000 -1.359) 1.359 7.539 ( 0.000 -0.000 -2.699) 2.699 7.593 ( 0.000 0.000 1.695) 1.695 7.593 ( 0.000 -0.000 1.695) 1.695 7.970 ( 0.000 0.000 -0.685) 0.685 7.970 ( 0.000 -0.000 -0.685) 0.685 8.025 ( 0.000 0.000 2.126) 2.126 13.213 ( 0.000 -0.000 2.002) 2.002 13.213 ( -0.000 -0.000 2.002) 2.002 16.134 ( 0.000 0.000 -3.045) 3.045 16.134 ( 0.000 -0.000 -3.045) 3.045 17.390 ( 0.000 -0.000 -0.427) 0.427 18.506 ( 0.000 0.000 -3.857) 3.857 ======================= Grid point 110 (16/116) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.320 ( 5.902 3.407 9.787) 11.926 0.354 ( 6.779 3.914 8.284) 11.397 0.759 ( 16.055 9.269 14.260) 23.389 0.985 ( -2.373 -1.370 -0.176) 2.745 1.367 ( -2.885 -1.666 -2.354) 4.079 1.377 ( -4.983 -2.877 2.545) 6.292 1.603 ( -0.305 -0.176 10.793) 10.799 1.648 ( 1.676 0.968 -1.380) 2.377 1.829 ( 1.471 0.849 2.727) 3.213 1.870 ( 6.824 3.940 1.128) 7.960 1.890 ( 5.063 2.923 4.374) 7.301 3.381 ( 7.132 4.117 -15.181) 17.271 4.360 ( -1.451 -0.837 -5.956) 6.187 4.444 ( 3.543 2.046 -6.377) 7.577 4.963 ( 1.495 0.863 -1.328) 2.178 7.270 ( -9.565 -5.522 6.847) 12.995 7.604 ( 0.396 0.229 2.148) 2.196 7.622 ( 2.757 1.592 0.892) 3.306 7.968 ( 0.140 0.081 -0.912) 0.926 8.020 ( -0.115 -0.066 2.066) 2.071 8.247 ( 9.431 5.445 -8.732) 13.959 13.206 ( -0.042 -0.024 1.384) 1.385 13.289 ( 5.766 3.329 2.551) 7.130 15.998 ( -7.538 -4.352 12.033) 14.851 16.130 ( -0.936 -0.540 -2.355) 2.591 17.399 ( 0.296 0.171 -0.110) 0.359 18.549 ( -0.479 -0.277 -20.192) 20.199 ======================= Grid point 111 (17/116) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 8.848 5.108 6.650) 12.191 0.528 ( 7.809 4.508 4.717) 10.176 0.917 ( -1.342 -0.775 -1.627) 2.247 1.145 ( 9.150 5.283 4.489) 11.480 1.290 ( -3.882 -2.241 -2.658) 5.212 1.297 ( 3.519 2.032 4.324) 5.934 1.621 ( 1.071 0.618 10.022) 10.098 1.708 ( 3.472 2.004 -2.215) 4.580 1.878 ( 2.715 1.568 1.691) 3.563 2.034 ( 7.122 4.112 4.774) 9.509 2.075 ( 10.259 5.923 0.118) 11.847 3.423 ( -1.662 -0.959 -12.048) 12.199 4.320 ( -2.006 -1.158 -6.340) 6.750 4.522 ( 3.125 1.804 -5.754) 6.792 5.013 ( 2.764 1.596 -1.329) 3.457 7.128 ( -4.282 -2.472 4.655) 6.791 7.609 ( -0.016 -0.009 2.332) 2.332 7.711 ( 4.714 2.722 -0.995) 5.534 7.977 ( 0.592 0.342 -0.990) 1.203 8.022 ( 0.468 0.270 2.266) 2.330 8.366 ( 2.572 1.485 -2.745) 4.044 13.211 ( 0.479 0.276 0.814) 0.984 13.450 ( 8.089 4.670 3.782) 10.077 15.813 ( -9.172 -5.295 16.651) 19.734 16.094 ( -2.121 -1.225 -1.617) 2.935 17.400 ( -0.189 -0.109 0.437) 0.488 18.480 ( -4.533 -2.617 -26.185) 26.703 ======================= Grid point 112 (18/116) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 5.321 3.072 2.279) 6.553 0.699 ( 8.729 5.039 5.454) 11.460 0.880 ( -1.629 -0.941 -0.455) 1.936 1.128 ( -3.068 -1.771 2.904) 4.580 1.193 ( -4.558 -2.632 -2.566) 5.856 1.562 ( 8.245 4.760 6.572) 11.568 1.675 ( 7.181 4.146 2.424) 8.639 1.796 ( 4.019 2.321 -2.517) 5.280 1.944 ( 2.885 1.666 1.065) 3.497 2.192 ( 6.380 3.684 4.863) 8.828 2.300 ( 8.929 5.155 -1.037) 10.362 3.357 ( -3.480 -2.009 -8.126) 9.065 4.273 ( -1.946 -1.123 -6.263) 6.653 4.582 ( 2.094 1.209 -5.214) 5.747 5.082 ( 3.108 1.795 -1.432) 3.865 7.047 ( -3.011 -1.739 4.186) 5.442 7.603 ( -0.439 -0.253 2.184) 2.242 7.817 ( 4.248 2.453 -2.767) 5.632 7.994 ( 0.838 0.484 -0.890) 1.315 8.045 ( 1.553 0.897 2.408) 3.002 8.397 ( 0.446 0.258 1.529) 1.613 13.226 ( 0.763 0.441 0.506) 1.016 13.638 ( 8.069 4.659 3.817) 10.069 15.584 ( -10.618 -6.131 15.510) 19.771 16.040 ( -2.481 -1.433 -1.101) 3.069 17.393 ( -0.389 -0.225 0.117) 0.465 18.380 ( -3.773 -2.178 -26.133) 26.493 ======================= Grid point 113 (19/116) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -0.025 -0.015 -0.569) 0.570 0.861 ( -0.082 -0.047 1.990) 1.992 0.871 ( 5.615 3.242 3.773) 7.501 1.074 ( -1.451 -0.838 2.918) 3.365 1.094 ( -3.385 -1.955 -1.143) 4.073 1.621 ( 0.881 0.509 11.018) 11.064 1.880 ( 3.143 1.815 -2.182) 4.235 1.916 ( 9.520 5.496 -5.400) 12.247 2.002 ( 2.111 1.219 0.987) 2.630 2.305 ( 3.317 1.915 4.627) 6.006 2.459 ( 4.876 2.815 -2.808) 6.292 3.284 ( -2.638 -1.523 -4.430) 5.376 4.240 ( -0.861 -0.497 -5.730) 5.815 4.612 ( 0.522 0.301 -5.455) 5.488 5.143 ( 2.105 1.215 -1.542) 2.878 6.992 ( -1.827 -1.055 4.347) 4.831 7.591 ( -0.630 -0.364 1.798) 1.940 7.896 ( 2.735 1.579 -3.233) 4.519 8.012 ( 0.695 0.401 -0.688) 1.056 8.088 ( 2.118 1.223 1.684) 2.970 8.391 ( -0.991 -0.572 4.310) 4.460 13.243 ( 0.723 0.417 0.521) 0.984 13.789 ( 4.479 2.586 2.252) 5.641 15.359 ( -8.368 -4.831 12.802) 16.039 15.989 ( -1.845 -1.065 -0.961) 2.338 17.384 ( -0.301 -0.174 -0.563) 0.662 18.327 ( -0.619 -0.357 -23.252) 23.263 ======================= Grid point 114 (20/116) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 0.762 0.440 -0.676) 1.110 0.838 ( -2.386 -1.378 0.127) 2.758 0.882 ( -4.139 -2.390 -1.463) 4.998 1.064 ( 0.363 0.209 3.766) 3.789 1.110 ( 4.341 2.507 4.013) 6.421 1.634 ( 0.154 0.089 11.231) 11.233 1.930 ( 1.174 0.678 -1.472) 2.001 2.034 ( 0.628 0.362 1.442) 1.614 2.043 ( 1.106 0.638 -5.245) 5.398 2.333 ( -0.901 -0.520 4.144) 4.273 2.519 ( 0.439 0.254 -4.081) 4.113 3.251 ( -0.036 -0.021 -2.748) 2.748 4.240 ( 0.872 0.504 -4.928) 5.030 4.605 ( -1.116 -0.645 -6.211) 6.343 5.169 ( 0.091 0.052 -1.545) 1.548 6.968 ( -0.215 -0.124 4.350) 4.357 7.577 ( -0.527 -0.304 1.323) 1.457 7.942 ( 1.381 0.797 -2.528) 2.989 8.023 ( 0.228 0.132 -0.467) 0.537 8.132 ( 1.427 0.824 0.891) 1.874 8.352 ( -2.355 -1.360 5.169) 5.841 13.257 ( 0.433 0.250 0.821) 0.961 13.812 ( -2.736 -1.580 -0.240) 3.169 15.244 ( -1.121 -0.647 10.975) 11.051 15.962 ( -0.487 -0.281 -1.234) 1.356 17.381 ( -0.002 -0.001 -0.930) 0.930 18.355 ( 2.922 1.687 -19.964) 20.247 ======================= Grid point 116 (21/116) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -4.577 -2.642 -1.171) 5.413 0.760 ( -6.039 -3.486 -1.094) 7.058 0.797 ( 4.085 2.358 -0.734) 4.774 1.079 ( 0.870 0.502 3.405) 3.550 1.217 ( 4.559 2.632 3.864) 6.530 1.620 ( -1.605 -0.927 11.001) 11.156 1.930 ( -1.201 -0.693 -0.798) 1.600 1.962 ( -7.808 -4.508 -2.113) 9.260 2.028 ( -1.160 -0.669 2.280) 2.644 2.268 ( -4.674 -2.698 3.700) 6.543 2.474 ( -4.598 -2.655 -2.947) 6.072 3.289 ( 3.306 1.909 -4.834) 6.159 4.276 ( 2.209 1.275 -4.218) 4.929 4.565 ( -2.292 -1.324 -7.077) 7.556 5.147 ( -2.009 -1.160 -1.437) 2.729 6.982 ( 1.378 0.795 4.032) 4.334 7.568 ( -0.244 -0.141 0.911) 0.953 7.963 ( 0.462 0.267 -1.837) 1.913 8.022 ( -0.301 -0.173 -0.286) 0.449 8.126 ( -2.693 -1.555 3.059) 4.362 8.306 ( -0.901 -0.520 2.089) 2.334 13.262 ( 0.038 0.022 1.327) 1.328 13.679 ( -8.148 -4.705 -1.936) 9.606 15.310 ( 6.362 3.673 11.036) 13.257 15.968 ( 1.011 0.584 -1.850) 2.188 17.384 ( 0.239 0.138 -0.776) 0.824 18.448 ( 4.980 2.875 -18.318) 19.199 ======================= Grid point 117 (22/116) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( -6.350 -3.666 1.105) 7.415 0.632 ( -6.215 -3.588 0.206) 7.179 0.897 ( 3.763 2.172 -1.535) 4.608 1.112 ( 2.341 1.351 2.070) 3.404 1.310 ( 3.524 2.035 2.597) 4.828 1.536 ( -7.128 -4.116 8.678) 11.961 1.741 ( -9.416 -5.436 3.882) 11.544 1.878 ( -3.219 -1.858 -0.428) 3.741 1.984 ( -2.697 -1.557 3.194) 4.461 2.135 ( -6.689 -3.862 3.583) 8.514 2.312 ( -9.385 -5.419 -0.990) 10.882 3.383 ( 4.392 2.536 -8.360) 9.778 4.331 ( 2.379 1.373 -3.917) 4.784 4.507 ( -2.709 -1.564 -7.719) 8.329 5.085 ( -3.166 -1.828 -1.316) 3.886 7.028 ( 2.653 1.532 3.676) 4.785 7.566 ( 0.062 0.036 0.708) 0.711 7.952 ( -2.776 -1.603 -1.535) 3.554 8.011 ( -0.642 -0.371 -0.196) 0.767 8.028 ( -3.717 -2.146 5.376) 6.879 8.310 ( 0.563 0.325 -1.825) 1.937 13.258 ( -0.363 -0.209 1.904) 1.950 13.483 ( -8.390 -4.844 -1.709) 9.837 15.503 ( 10.024 5.787 12.800) 17.257 16.004 ( 2.081 1.201 -2.612) 3.549 17.390 ( 0.306 0.177 -0.364) 0.507 18.562 ( 4.574 2.641 -19.023) 19.743 ======================= Grid point 118 (23/116) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( -6.194 -3.576 4.497) 8.449 0.478 ( -7.115 -4.108 3.396) 8.890 0.947 ( 0.987 0.570 -1.881) 2.200 1.116 ( -8.590 -4.960 3.201) 10.423 1.332 ( -2.997 -1.730 6.159) 7.065 1.376 ( 2.330 1.345 1.128) 2.917 1.605 ( -3.649 -2.107 8.906) 9.852 1.792 ( -4.192 -2.420 -0.321) 4.851 1.912 ( -3.407 -1.967 3.721) 5.415 1.983 ( -6.277 -3.624 3.865) 8.214 2.075 ( -10.702 -6.179 0.097) 12.358 3.458 ( 1.385 0.799 -12.286) 12.390 4.376 ( 1.442 0.832 -4.092) 4.418 4.449 ( -2.317 -1.337 -8.012) 8.447 5.014 ( -2.862 -1.652 -1.275) 3.542 7.104 ( 4.335 2.503 4.291) 6.593 7.571 ( 0.316 0.182 0.803) 0.882 7.816 ( -7.104 -4.101 1.953) 8.432 7.995 ( -0.710 -0.410 -0.242) 0.855 8.008 ( 0.345 0.199 2.329) 2.363 8.308 ( -1.167 -0.674 -4.979) 5.158 13.246 ( -0.688 -0.397 2.327) 2.459 13.321 ( -5.590 -3.228 -0.005) 6.455 15.741 ( 10.656 6.152 15.260) 19.603 16.056 ( 2.381 1.375 -3.217) 4.232 17.396 ( 0.218 0.126 -0.025) 0.253 18.636 ( 1.534 0.886 -21.388) 21.462 ======================= Grid point 119 (24/116) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.324 ( -5.881 -3.396 8.563) 10.929 0.343 ( -5.223 -3.016 8.832) 10.695 0.761 ( -16.587 -9.577 14.758) 24.179 0.982 ( 2.437 1.407 -1.003) 2.988 1.390 ( 2.704 1.561 -0.483) 3.160 1.414 ( 0.934 0.539 -0.313) 1.123 1.563 ( 1.217 0.703 10.401) 10.496 1.700 ( -3.647 -2.106 -0.290) 4.221 1.840 ( -2.549 -1.471 3.506) 4.577 1.867 ( -6.523 -3.766 1.398) 7.661 1.868 ( -3.587 -2.071 4.359) 6.013 3.395 ( -8.407 -4.854 -15.732) 18.486 4.393 ( 0.144 0.083 -4.609) 4.612 4.404 ( -1.650 -0.953 -7.521) 7.758 4.963 ( -1.526 -0.881 -1.320) 2.201 7.254 ( 10.203 5.891 6.880) 13.643 7.580 ( 0.508 0.293 1.177) 1.315 7.673 ( -5.132 -2.963 2.147) 6.303 7.980 ( -0.565 -0.326 -0.425) 0.779 8.018 ( 0.363 0.209 2.054) 2.097 8.221 ( -8.021 -4.631 -9.533) 13.292 13.229 ( -0.791 -0.457 2.377) 2.547 13.234 ( -2.178 -1.258 1.656) 3.012 15.978 ( 10.147 5.858 13.295) 17.721 16.106 ( 1.824 1.053 -3.388) 3.989 17.398 ( -0.175 -0.101 -0.203) 0.286 18.609 ( -4.371 -2.523 -20.244) 20.863 ======================= Grid point 121 (25/116) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( 4.457 5.760 6.936) 10.058 0.481 ( 6.086 7.843 4.611) 10.946 0.940 ( -1.254 0.305 -0.939) 1.596 1.057 ( 9.905 15.276 6.000) 19.170 1.280 ( -5.038 -5.685 3.462) 8.348 1.384 ( -2.978 1.698 -0.947) 3.556 1.594 ( 2.145 0.989 9.660) 9.944 1.734 ( -0.479 5.804 -0.700) 5.865 1.892 ( 0.829 5.239 2.942) 6.065 1.947 ( 5.120 4.229 3.656) 7.581 2.024 ( 6.116 9.849 1.002) 11.637 3.440 ( -1.463 0.271 -13.285) 13.368 4.356 ( -2.424 0.205 -5.913) 6.394 4.470 ( 3.728 0.688 -6.257) 7.315 4.998 ( 1.478 2.664 -1.386) 3.347 7.144 ( -2.101 -5.645 4.984) 7.818 7.598 ( 2.008 -0.329 0.844) 2.203 7.720 ( -1.033 6.760 1.551) 7.012 7.982 ( -0.276 0.888 -0.670) 1.146 8.017 ( 0.372 -0.042 2.161) 2.194 8.324 ( 3.590 1.891 -5.061) 6.487 13.233 ( -0.830 2.719 0.605) 2.907 13.333 ( 7.363 1.707 3.243) 8.225 15.829 ( -3.692 -11.384 15.765) 19.792 16.109 ( 1.577 -0.856 -2.852) 3.369 17.399 ( 0.062 -0.164 0.189) 0.258 18.566 ( -6.990 -0.115 -23.365) 24.388 ======================= Grid point 122 (26/116) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 7.164 2.804 5.398) 9.398 0.662 ( 5.687 6.989 2.338) 9.308 0.910 ( -1.746 -0.196 -1.211) 2.134 1.149 ( -3.920 -3.647 3.318) 6.299 1.265 ( -1.021 0.709 -0.488) 1.335 1.467 ( 8.284 12.405 0.252) 14.919 1.628 ( 1.592 0.203 9.390) 9.527 1.808 ( 1.436 7.269 -2.116) 7.706 1.965 ( 0.541 7.080 2.103) 7.406 2.102 ( 7.806 3.415 3.993) 9.410 2.233 ( 6.811 8.735 -0.059) 11.077 3.376 ( -2.983 -4.119 -9.436) 10.719 4.316 ( -2.789 0.743 -6.235) 6.871 4.535 ( 3.586 -0.271 -5.313) 6.416 5.060 ( 2.228 3.006 -1.526) 4.041 7.066 ( -2.058 -3.422 4.139) 5.752 7.621 ( 0.104 0.924 1.360) 1.647 7.781 ( 1.871 3.889 -0.896) 4.408 7.988 ( 0.279 0.193 -0.603) 0.691 8.038 ( 1.118 1.976 2.301) 3.232 8.375 ( 1.897 -0.553 -0.377) 2.012 13.247 ( -1.040 3.162 0.273) 3.340 13.496 ( 9.984 0.440 3.875) 10.719 15.630 ( -6.150 -11.495 14.948) 19.834 16.132 ( -1.404 5.056 -2.000) 5.615 17.396 ( -0.202 -0.227 0.275) 0.409 18.415 ( -6.607 -5.227 -24.514) 25.921 ======================= Grid point 123 (27/116) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 6.944 0.117 3.919) 7.974 0.760 ( 0.971 -0.220 0.340) 1.052 0.892 ( -0.391 -0.414 0.441) 0.720 1.089 ( -0.904 1.590 3.346) 3.813 1.209 ( -5.431 2.274 -0.809) 5.943 1.603 ( 0.456 0.117 10.429) 10.440 1.773 ( 9.645 5.933 -3.518) 11.857 1.915 ( 2.024 8.134 -3.078) 8.929 2.044 ( -0.403 8.345 1.499) 8.488 2.256 ( 5.954 3.027 4.232) 7.907 2.404 ( 5.095 4.770 -1.767) 7.200 3.281 ( -1.898 -5.885 -5.704) 8.413 4.281 ( -2.697 1.913 -6.039) 6.885 4.582 ( 2.554 -0.993 -5.185) 5.865 5.124 ( 2.018 2.268 -1.577) 3.421 7.005 ( -1.669 -2.342 4.283) 5.159 7.621 ( -1.553 1.840 1.647) 2.918 7.849 ( 3.305 0.745 -2.548) 4.239 7.994 ( 0.741 -0.666 -0.614) 1.170 8.088 ( 1.251 3.543 2.106) 4.308 8.385 ( 0.530 -1.390 2.957) 3.310 13.260 ( -0.871 2.865 0.393) 3.021 13.658 ( 9.382 -2.302 3.296) 10.207 15.413 ( -6.527 -9.534 12.858) 17.286 16.155 ( -6.310 12.568 -1.772) 14.174 17.389 ( -0.395 -0.172 -0.175) 0.465 18.271 ( -0.858 -9.652 -23.391) 25.318 ======================= Grid point 124 (28/116) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -0.669 -1.264 -0.202) 1.444 0.807 ( 5.516 -2.773 2.999) 6.864 0.846 ( -1.403 -5.250 -0.592) 5.466 1.132 ( -3.480 4.444 1.920) 5.962 1.150 ( -1.905 6.358 2.033) 6.942 1.607 ( 1.469 -1.829 11.450) 11.688 1.929 ( 2.957 3.802 -3.350) 5.867 2.021 ( 1.717 5.044 -3.848) 6.572 2.106 ( -2.239 8.061 0.185) 8.368 2.344 ( 1.101 2.079 4.200) 4.814 2.494 ( 2.411 0.727 -3.631) 4.419 3.211 ( 0.968 -5.955 -2.744) 6.628 4.268 ( -1.741 3.242 -5.413) 6.546 4.598 ( 0.740 -1.668 -5.756) 6.038 5.166 ( 0.836 0.925 -1.543) 1.984 6.967 ( -0.543 -1.285 4.449) 4.663 7.609 ( -2.003 2.113 1.383) 3.223 7.905 ( 3.147 -0.600 -2.430) 4.021 7.997 ( 0.803 -1.703 -0.835) 2.060 8.142 ( 0.706 3.703 1.512) 4.061 8.365 ( -0.985 -1.964 4.858) 5.332 13.273 ( -0.737 2.528 0.727) 2.732 13.744 ( 4.970 -6.348 1.575) 8.215 15.253 ( -2.921 -4.844 10.940) 12.316 16.159 ( -10.464 17.164 -2.420) 20.247 17.382 ( -0.193 -0.085 -0.785) 0.813 18.215 ( 6.672 -11.328 -20.450) 24.311 ======================= Grid point 125 (29/116) ======================= q-point: (-0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 0.282 -4.136 -0.461) 4.172 0.773 ( -0.317 -0.946 -0.116) 1.004 0.837 ( 0.271 -1.921 -0.013) 1.940 1.084 ( -3.421 2.500 2.174) 4.762 1.221 ( 0.858 5.340 3.025) 6.197 1.615 ( 1.127 -1.537 11.797) 11.950 1.964 ( -1.801 1.284 -2.017) 2.993 2.040 ( -3.815 1.133 -3.860) 5.544 2.105 ( -5.070 5.327 1.436) 7.493 2.328 ( -4.014 -0.257 3.884) 5.591 2.503 ( -1.148 -1.485 -3.833) 4.268 3.210 ( 4.774 -3.881 -2.977) 6.835 4.285 ( -0.355 3.815 -4.688) 6.054 4.576 ( -0.934 -2.260 -6.526) 6.969 5.167 ( -1.071 -0.219 -1.496) 1.853 6.964 ( 0.996 -0.252 4.327) 4.447 7.597 ( -1.837 2.218 0.923) 3.025 7.944 ( 2.262 -0.721 -1.462) 2.788 7.986 ( 0.578 -3.076 -1.003) 3.286 8.172 ( -1.419 2.314 1.990) 3.365 8.321 ( -1.498 -1.358 4.069) 4.543 13.284 ( -0.912 2.593 1.205) 3.001 13.695 ( -1.611 -8.838 -0.367) 8.991 15.239 ( 3.950 0.117 10.449) 11.171 16.138 ( -10.963 16.140 -3.244) 19.779 17.382 ( 0.146 0.111 -0.881) 0.900 18.272 ( 11.577 -9.622 -18.140) 23.573 ======================= Grid point 126 (30/116) ======================= q-point: (-0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( -3.628 -4.360 0.850) 5.735 0.764 ( -5.733 0.039 -0.078) 5.734 0.850 ( 3.934 2.415 -1.705) 4.921 1.078 ( 1.126 0.543 3.218) 3.453 1.277 ( 1.608 1.713 2.053) 3.120 1.606 ( -1.763 0.205 10.745) 10.890 1.844 ( -9.573 -6.516 -0.536) 11.593 1.955 ( -5.995 1.608 -2.042) 6.534 2.065 ( -5.309 3.912 3.150) 7.309 2.215 ( -6.831 -2.915 3.491) 8.206 2.416 ( -6.750 -2.600 -1.974) 7.498 3.289 ( 6.990 -1.440 -6.063) 9.364 4.324 ( 0.707 2.856 -4.334) 5.238 4.529 ( -1.816 -1.975 -7.000) 7.497 5.127 ( -2.928 -0.711 -1.483) 3.358 6.995 ( 2.395 0.550 3.973) 4.672 7.591 ( -1.461 2.289 0.541) 2.769 7.950 ( -0.412 -5.005 -0.720) 5.073 7.970 ( 1.382 -0.308 -0.431) 1.480 8.119 ( -5.228 -0.172 3.833) 6.485 8.313 ( 0.291 1.339 0.377) 1.421 13.292 ( -1.473 2.898 1.653) 3.647 13.545 ( -5.582 -7.315 -0.953) 9.251 15.374 ( 9.599 2.652 11.610) 15.296 16.112 ( -7.798 11.354 -3.551) 14.224 17.387 ( 0.270 0.233 -0.505) 0.618 18.397 ( 11.966 -6.942 -18.263) 22.911 ======================= Grid point 127 (31/116) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( -5.384 -1.554 3.759) 6.748 0.636 ( -9.375 1.099 1.198) 9.514 0.923 ( 2.185 0.263 -1.774) 2.826 1.143 ( 4.709 2.148 2.511) 5.752 1.293 ( -0.695 -3.232 2.161) 3.950 1.499 ( -12.160 -0.815 2.973) 12.544 1.642 ( -3.514 -3.678 8.447) 9.860 1.853 ( -5.913 -1.596 -1.191) 6.240 1.996 ( -6.202 1.904 3.690) 7.463 2.061 ( -6.976 -3.021 3.293) 8.284 2.235 ( -11.278 -1.919 -0.306) 11.444 3.393 ( 5.746 -0.927 -9.539) 11.174 4.354 ( 0.996 -0.131 -4.895) 4.997 4.487 ( -2.006 0.565 -6.728) 7.043 5.062 ( -3.745 -0.590 -1.471) 4.066 7.054 ( 3.634 1.092 3.868) 5.418 7.592 ( -1.080 2.271 0.452) 2.555 7.858 ( -3.950 -6.227 0.868) 7.425 7.986 ( 0.673 -0.086 0.003) 0.678 8.039 ( -3.270 0.196 2.503) 4.122 8.333 ( -0.403 1.944 -2.017) 2.830 13.284 ( -2.257 1.113 1.191) 2.784 13.396 ( -5.855 -1.323 0.966) 6.080 15.593 ( 12.058 3.287 13.960) 18.737 16.101 ( -3.491 5.939 -3.361) 7.666 17.394 ( 0.256 0.207 -0.051) 0.333 18.517 ( 8.806 -5.787 -20.695) 23.223 ======================= Grid point 132 (32/116) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( 3.563 1.911 3.795) 5.545 0.761 ( 1.316 2.808 0.058) 3.102 0.882 ( -0.830 -3.326 -1.145) 3.614 1.101 ( 1.095 0.215 3.471) 3.646 1.276 ( -1.415 0.329 0.528) 1.546 1.619 ( -0.741 -0.968 10.841) 10.909 1.733 ( 4.333 13.124 -2.674) 14.077 1.960 ( 2.702 7.624 -3.022) 8.635 2.134 ( 2.388 8.973 3.476) 9.915 2.169 ( 5.792 3.693 2.838) 7.432 2.389 ( 3.566 6.668 -1.269) 7.667 3.264 ( -4.313 -6.888 -6.270) 10.265 4.342 ( -1.225 1.539 -5.710) 6.040 4.524 ( 2.257 -0.425 -5.516) 5.975 5.119 ( 1.508 2.804 -1.641) 3.581 7.004 ( -1.216 -2.777 4.147) 5.137 7.638 ( 2.110 0.779 0.423) 2.289 7.850 ( -2.358 2.824 -0.392) 3.700 7.978 ( 0.253 -0.954 -0.698) 1.209 8.106 ( 1.455 4.505 2.906) 5.555 8.351 ( 1.475 -1.684 1.248) 2.564 13.318 ( -0.825 3.363 0.297) 3.475 13.495 ( 5.834 0.344 2.669) 6.425 15.410 ( -4.782 -10.301 12.234) 16.693 16.276 ( 7.596 9.182 -4.097) 12.601 17.391 ( -0.068 -0.267 -0.077) 0.286 18.260 ( -10.941 -10.276 -20.318) 25.261 ======================= Grid point 133 (33/116) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 3.347 -3.049 4.163) 6.151 0.755 ( -0.845 0.071 0.040) 0.849 0.827 ( -1.210 -3.976 -1.000) 4.275 1.179 ( 2.673 5.262 3.030) 6.635 1.252 ( -2.660 1.816 0.221) 3.229 1.578 ( -1.083 -2.303 11.619) 11.895 1.911 ( 4.095 6.974 -4.829) 9.419 2.074 ( 1.047 7.954 -3.978) 8.955 2.236 ( -1.165 9.483 1.314) 9.644 2.308 ( 5.622 2.111 2.689) 6.579 2.484 ( 1.635 4.136 -1.818) 4.805 3.128 ( -1.601 -9.507 -2.899) 10.068 4.343 ( -1.924 4.079 -5.803) 7.349 4.551 ( 2.107 -2.087 -5.433) 6.190 5.162 ( 0.917 1.444 -1.532) 2.296 6.963 ( -0.780 -1.817 4.490) 4.906 7.668 ( -0.813 2.801 0.896) 3.052 7.848 ( 1.240 -0.910 -1.162) 1.928 7.973 ( 0.356 -1.226 -1.391) 1.888 8.170 ( 0.808 4.350 2.665) 5.165 8.348 ( 0.395 -2.257 3.678) 4.333 13.330 ( -1.824 3.961 0.675) 4.413 13.579 ( 6.055 -4.921 2.592) 8.222 15.251 ( -3.470 -6.540 10.544) 12.884 16.497 ( -1.019 21.430 -5.241) 22.085 17.386 ( -0.341 -0.109 -0.376) 0.519 17.993 ( -2.016 -18.426 -18.921) 26.488 ======================= Grid point 134 (34/116) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 1.645 -4.572 2.987) 5.703 0.773 ( -0.259 -1.023 -0.541) 1.186 0.779 ( 1.626 -1.214 0.441) 2.077 1.207 ( -4.801 3.498 0.752) 5.988 1.258 ( 0.283 3.315 1.781) 3.773 1.561 ( 2.047 -2.414 12.616) 13.007 1.993 ( 0.106 1.909 -4.837) 5.201 2.136 ( -2.632 6.460 -3.848) 7.966 2.261 ( -4.828 5.584 0.103) 7.383 2.373 ( 0.593 0.053 1.643) 1.748 2.525 ( -2.520 4.550 -1.576) 5.435 3.057 ( 5.196 -9.284 -1.286) 10.716 4.354 ( -2.140 5.055 -5.336) 7.655 4.550 ( 0.858 -3.030 -5.988) 6.765 5.177 ( -0.124 0.303 -1.408) 1.446 6.946 ( 0.384 -0.817 4.585) 4.673 7.667 ( -2.718 3.587 0.778) 4.567 7.870 ( 3.297 -3.027 -0.572) 4.512 7.965 ( 0.064 -1.092 -2.079) 2.349 8.214 ( -0.381 3.242 2.564) 4.151 8.322 ( -0.526 -2.148 4.458) 4.977 13.339 ( -1.638 4.119 1.275) 4.612 13.592 ( 2.847 -7.832 1.535) 8.474 15.184 ( 1.063 -2.238 9.743) 10.053 16.593 ( -15.820 24.889 -6.646) 30.230 17.381 ( -0.014 0.025 -0.869) 0.870 17.895 ( 13.861 -20.235 -16.590) 29.611 ======================= Grid point 136 (35/116) ======================= q-point: (-0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -0.538 -1.936 2.465) 3.181 0.774 ( 1.704 -0.568 0.766) 1.953 0.813 ( 2.586 0.037 -1.234) 2.866 1.146 ( -5.696 3.140 1.920) 6.781 1.277 ( 0.077 0.482 1.268) 1.358 1.589 ( 2.666 -0.963 12.084) 12.413 1.939 ( -6.535 -2.452 -3.878) 7.985 2.091 ( -7.231 2.005 -4.312) 8.654 2.215 ( -5.612 4.926 2.150) 7.771 2.312 ( -6.866 -1.761 3.128) 7.748 2.487 ( -4.073 0.178 -2.361) 4.711 3.127 ( 9.203 -3.284 -3.102) 10.252 4.361 ( -1.769 2.629 -5.106) 6.009 4.529 ( -0.228 -1.552 -6.159) 6.356 5.163 ( -1.653 -0.166 -1.502) 2.240 6.960 ( 1.791 -0.029 4.415) 4.764 7.653 ( -2.575 2.884 0.367) 3.884 7.883 ( 1.932 -4.226 0.151) 4.649 7.961 ( 0.367 0.178 -2.008) 2.049 8.192 ( -3.843 -0.444 3.516) 5.228 8.318 ( 0.842 1.131 2.674) 3.023 13.350 ( -1.684 3.004 1.448) 3.736 13.536 ( -1.018 -5.149 0.955) 5.335 15.245 ( 6.850 0.366 10.344) 12.412 16.470 ( -18.758 13.350 -6.301) 23.871 17.385 ( 0.230 0.246 -0.547) 0.642 18.039 ( 18.997 -10.926 -16.976) 27.721 ======================= Grid point 144 (36/116) ======================= q-point: ( 0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -0.803 -1.880 4.293) 4.754 0.758 ( 0.095 0.267 0.047) 0.288 0.774 ( -0.818 -1.454 -0.548) 1.756 1.259 ( 2.933 2.447 1.177) 3.997 1.278 ( -0.687 0.897 0.786) 1.376 1.530 ( -1.426 -1.970 13.149) 13.372 2.005 ( 0.964 2.246 -5.612) 6.121 2.220 ( 2.513 6.212 -4.402) 8.017 2.312 ( 3.294 -0.633 -0.154) 3.358 2.346 ( -2.413 0.446 -0.485) 2.501 2.630 ( 5.830 10.196 0.631) 11.762 2.921 ( -6.034 -10.647 -0.521) 12.250 4.424 ( 1.470 3.484 -5.658) 6.805 4.504 ( -0.788 -2.357 -5.773) 6.285 5.180 ( 0.222 0.411 -1.319) 1.400 6.938 ( -0.360 -0.663 4.663) 4.723 7.726 ( 2.179 2.861 0.412) 3.620 7.812 ( -2.179 -2.454 0.096) 3.283 7.957 ( -0.038 -0.325 -2.403) 2.425 8.245 ( 0.942 3.013 3.506) 4.717 8.302 ( -0.382 -2.163 3.826) 4.412 13.404 ( 1.017 3.071 1.455) 3.547 13.492 ( -0.899 -3.298 1.881) 3.902 15.163 ( -1.275 -2.295 9.426) 9.784 16.953 ( 14.117 22.763 -9.625) 28.462 17.384 ( -0.054 -0.132 -0.537) 0.555 17.578 ( -13.682 -21.657 -14.516) 29.444 ======================= Grid point 218 (37/116) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 0.000 -0.000 11.623) 11.623 0.514 ( 0.000 0.000 11.623) 11.623 1.010 ( 0.000 0.000 21.450) 21.450 1.058 ( 0.000 0.000 0.893) 0.893 1.367 ( 0.000 -0.000 -2.773) 2.773 1.367 ( 0.000 0.000 -2.773) 2.773 1.651 ( 0.000 -0.000 1.733) 1.733 1.651 ( 0.000 0.000 1.733) 1.733 1.891 ( 0.000 0.000 3.457) 3.457 1.891 ( 0.000 0.000 3.457) 3.457 1.943 ( 0.000 -0.000 6.897) 6.897 3.153 ( 0.000 -0.000 -0.741) 0.741 4.231 ( 0.000 0.000 -9.087) 9.087 4.231 ( 0.000 -0.000 -9.087) 9.087 4.907 ( 0.000 0.000 -2.315) 2.315 7.488 ( 0.000 -0.000 -1.636) 1.636 7.640 ( 0.000 0.000 2.620) 2.620 7.640 ( 0.000 0.000 2.620) 2.620 7.950 ( 0.000 -0.000 -1.160) 1.160 7.950 ( 0.000 0.000 -1.160) 1.160 8.059 ( 0.000 0.000 0.602) 0.602 13.271 ( 0.000 -0.000 3.398) 3.398 13.271 ( 0.000 0.000 3.398) 3.398 16.046 ( 0.000 0.000 -5.083) 5.083 16.046 ( 0.000 0.000 -5.083) 5.083 17.383 ( 0.000 -0.000 -0.089) 0.089 18.393 ( 0.000 0.000 -6.711) 6.711 ======================= Grid point 219 (38/116) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 2.360 1.363 8.872) 9.281 0.555 ( 3.660 2.113 11.868) 12.598 0.999 ( -3.358 -1.939 2.065) 4.393 1.104 ( 7.429 4.289 16.283) 18.404 1.310 ( -3.043 -1.757 -2.978) 4.606 1.383 ( -1.737 -1.003 -1.034) 2.256 1.643 ( 0.819 0.473 1.074) 1.431 1.752 ( 5.744 3.316 3.941) 7.715 1.899 ( 0.914 0.528 3.606) 3.757 1.939 ( 4.581 2.645 4.899) 7.209 2.002 ( 4.924 2.843 6.131) 8.362 3.178 ( 1.239 0.715 -5.733) 5.908 4.196 ( -1.809 -1.044 -9.306) 9.538 4.280 ( 2.954 1.706 -9.295) 9.902 4.925 ( 1.559 0.900 -2.255) 2.886 7.352 ( -7.569 -4.370 2.161) 9.003 7.656 ( 1.894 1.093 2.212) 3.110 7.657 ( 0.573 0.331 2.733) 2.812 7.945 ( 0.051 0.029 -1.239) 1.241 8.055 ( -0.129 -0.075 0.703) 0.718 8.119 ( 9.961 5.751 -3.874) 12.137 13.252 ( -0.652 -0.376 2.910) 3.005 13.350 ( 5.997 3.463 3.294) 7.668 16.056 ( -0.189 -0.109 -4.514) 4.519 16.083 ( 2.739 1.581 -1.911) 3.696 17.385 ( 0.233 0.134 -0.850) 0.891 18.248 ( -11.715 -6.764 -10.337) 17.025 ======================= Grid point 220 (39/116) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 4.557 2.631 4.024) 6.624 0.677 ( 6.744 3.894 9.990) 12.666 0.940 ( -1.749 -1.010 3.176) 3.764 1.234 ( -3.654 -2.109 -2.596) 4.954 1.263 ( -0.062 -0.036 5.409) 5.409 1.351 ( 5.713 3.298 2.544) 7.070 1.685 ( 2.815 1.625 0.203) 3.257 1.851 ( 2.824 1.630 9.776) 10.305 1.934 ( 2.048 1.182 3.397) 4.139 2.102 ( 8.822 5.093 2.982) 10.614 2.144 ( 7.110 4.105 5.550) 9.910 3.185 ( -0.470 -0.271 -9.713) 9.728 4.151 ( -2.098 -1.211 -9.432) 9.738 4.354 ( 3.270 1.888 -9.770) 10.474 4.975 ( 2.747 1.586 -2.180) 3.849 7.218 ( -4.272 -2.466 3.777) 6.212 7.663 ( -0.089 -0.052 2.661) 2.663 7.717 ( 3.134 1.809 1.304) 3.846 7.953 ( 0.659 0.380 -1.178) 1.402 8.059 ( 0.623 0.360 0.753) 1.041 8.312 ( 6.772 3.910 -1.908) 8.049 13.244 ( -0.072 -0.041 2.207) 2.209 13.520 ( 8.368 4.831 2.985) 10.113 16.038 ( -1.336 -0.771 -3.579) 3.897 16.090 ( -3.277 -1.892 7.702) 8.581 17.394 ( 0.467 0.270 -1.532) 1.624 17.951 ( -12.543 -7.242 -21.089) 25.583 ======================= Grid point 221 (40/116) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 2.923 1.688 0.847) 3.480 0.837 ( 6.717 3.878 7.117) 10.527 0.917 ( -0.501 -0.289 3.342) 3.391 1.150 ( -3.446 -1.989 -1.290) 4.183 1.184 ( -3.499 -2.020 2.220) 4.610 1.563 ( 9.786 5.650 -2.082) 11.490 1.763 ( 3.846 2.221 -0.374) 4.457 1.892 ( 1.119 0.646 13.043) 13.107 1.987 ( 2.512 1.450 3.009) 4.179 2.292 ( 7.213 4.165 0.839) 8.371 2.302 ( 6.323 3.650 5.316) 9.032 3.172 ( -0.392 -0.227 -8.879) 8.891 4.106 ( -1.713 -0.989 -9.380) 9.587 4.417 ( 2.137 1.234 -9.932) 10.234 5.042 ( 2.993 1.728 -2.219) 4.107 7.144 ( -2.468 -1.425 4.712) 5.507 7.654 ( -0.694 -0.401 2.443) 2.571 7.784 ( 2.665 1.539 -0.608) 3.137 7.973 ( 0.998 0.576 -1.019) 1.538 8.086 ( 1.736 1.003 1.421) 2.457 8.432 ( 3.939 2.274 1.939) 4.944 13.248 ( 0.457 0.264 1.581) 1.666 13.704 ( 7.302 4.216 2.443) 8.778 15.926 ( -10.417 -6.014 15.048) 19.264 15.999 ( -1.928 -1.113 -2.638) 3.452 17.395 ( -0.723 -0.417 -0.090) 0.839 17.743 ( -5.002 -2.888 -31.813) 32.333 ======================= Grid point 222 (41/116) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -0.342 -0.197 0.282) 0.485 0.897 ( -1.823 -1.052 1.270) 2.458 0.925 ( -0.490 -0.283 0.657) 0.867 1.121 ( 2.218 1.280 4.071) 4.810 1.137 ( -0.540 -0.312 2.693) 2.765 1.768 ( 8.061 4.654 -6.809) 11.533 1.849 ( 3.430 1.980 -0.513) 3.994 1.913 ( 0.763 0.441 14.342) 14.369 2.041 ( 2.117 1.223 2.764) 3.690 2.409 ( 2.918 1.685 -1.292) 3.609 2.413 ( 3.180 1.836 5.267) 6.420 3.170 ( 0.107 0.062 -6.185) 6.186 4.081 ( -0.363 -0.210 -9.144) 9.154 4.445 ( 0.275 0.159 -9.955) 9.960 5.101 ( 2.005 1.158 -2.345) 3.296 7.101 ( -1.428 -0.824 5.572) 5.811 7.634 ( -0.944 -0.545 2.211) 2.465 7.836 ( 1.988 1.148 -2.598) 3.467 7.995 ( 0.859 0.496 -0.872) 1.321 8.131 ( 1.965 1.135 2.309) 3.237 8.490 ( 1.097 0.633 4.936) 5.096 13.262 ( 0.721 0.416 1.228) 1.483 13.825 ( 2.756 1.591 1.235) 3.414 15.677 ( -9.989 -5.767 16.040) 19.756 15.957 ( -1.699 -0.981 -2.014) 2.812 17.365 ( -1.442 -0.832 -1.758) 2.421 17.719 ( 2.063 1.191 -32.315) 32.403 ======================= Grid point 223 (42/116) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 0.098 0.056 -0.066) 0.131 0.831 ( -3.578 -2.066 -0.864) 4.221 0.852 ( -4.439 -2.563 -1.298) 5.287 1.144 ( 0.589 0.340 3.423) 3.489 1.212 ( 4.420 2.552 5.348) 7.392 1.886 ( 0.379 0.219 -2.740) 2.775 1.909 ( 1.650 0.953 -0.274) 1.925 1.948 ( 3.483 2.011 10.901) 11.620 2.077 ( 0.971 0.561 2.701) 2.924 2.431 ( -0.616 -0.356 -3.309) 3.384 2.438 ( -1.021 -0.589 5.341) 5.470 3.168 ( -0.433 -0.250 -5.075) 5.099 4.093 ( 1.429 0.825 -8.794) 8.947 4.430 ( -1.521 -0.878 -9.971) 10.125 5.126 ( 0.105 0.061 -2.431) 2.434 7.081 ( -0.302 -0.174 5.882) 5.892 7.614 ( -0.806 -0.466 2.046) 2.248 7.876 ( 1.561 0.902 -3.560) 3.990 8.009 ( 0.360 0.208 -0.779) 0.883 8.168 ( 1.168 0.674 2.492) 2.834 8.477 ( -2.218 -1.281 6.315) 6.814 13.279 ( 0.727 0.420 1.235) 1.494 13.809 ( -4.228 -2.441 -0.003) 4.882 15.537 ( -1.430 -0.826 15.775) 15.861 15.927 ( -0.807 -0.466 -1.919) 2.133 17.345 ( -0.259 -0.150 -3.247) 3.261 17.802 ( 4.738 2.736 -30.258) 30.749 ======================= Grid point 225 (43/116) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -2.599 -1.501 -1.230) 3.243 0.750 ( -4.349 -2.511 0.115) 5.023 0.791 ( 2.281 1.317 -0.261) 2.647 1.149 ( -0.168 -0.097 3.035) 3.041 1.299 ( 3.213 1.855 3.833) 5.334 1.831 ( -4.732 -2.732 2.004) 5.819 1.918 ( -0.825 -0.476 0.142) 0.963 1.988 ( -0.959 -0.554 10.560) 10.618 2.082 ( -0.576 -0.332 2.780) 2.859 2.372 ( -4.586 -2.648 5.614) 7.718 2.394 ( -2.712 -1.566 -3.889) 4.993 3.156 ( -0.301 -0.174 -7.375) 7.384 4.140 ( 2.533 1.463 -8.523) 9.011 4.381 ( -2.648 -1.529 -9.992) 10.449 5.105 ( -1.893 -1.093 -2.389) 3.238 7.087 ( 0.889 0.513 5.525) 5.620 7.600 ( -0.405 -0.234 1.976) 2.031 7.907 ( 1.109 0.640 -3.238) 3.482 8.011 ( -0.227 -0.131 -0.738) 0.783 8.173 ( -1.106 -0.639 1.860) 2.256 8.399 ( -4.250 -2.454 5.770) 7.574 13.294 ( 0.566 0.327 1.609) 1.736 13.659 ( -8.089 -4.670 -0.012) 9.341 15.613 ( 7.442 4.296 16.570) 18.666 15.922 ( 0.307 0.177 -2.406) 2.432 17.350 ( 0.565 0.326 -3.163) 3.230 17.917 ( 5.116 2.954 -29.873) 30.451 ======================= Grid point 226 (44/116) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -2.772 -1.600 2.282) 3.931 0.660 ( -3.601 -2.079 2.684) 4.949 0.876 ( 3.714 2.144 -0.533) 4.321 1.147 ( 0.602 0.348 1.516) 1.668 1.357 ( 1.928 1.113 1.922) 2.941 1.670 ( -9.278 -5.357 3.410) 11.243 1.873 ( -3.001 -1.733 0.548) 3.509 1.919 ( -4.437 -2.562 11.860) 12.920 2.052 ( -2.024 -1.168 3.067) 3.856 2.243 ( -6.415 -3.703 6.089) 9.588 2.289 ( -6.779 -3.914 -0.395) 7.838 3.167 ( 1.216 0.702 -11.074) 11.162 4.198 ( 2.347 1.355 -8.497) 8.918 4.317 ( -2.868 -1.656 -9.973) 10.508 5.047 ( -3.057 -1.765 -2.265) 4.194 7.122 ( 2.260 1.305 4.823) 5.484 7.596 ( 0.085 0.049 2.022) 2.024 7.918 ( -0.650 -0.375 -1.791) 1.941 8.000 ( -0.658 -0.380 -0.761) 1.075 8.108 ( -4.030 -2.327 1.933) 5.039 8.310 ( -3.367 -1.944 2.191) 4.462 13.303 ( 0.239 0.138 2.262) 2.279 13.480 ( -7.034 -4.061 1.247) 8.218 15.832 ( 10.776 6.221 16.700) 20.826 15.940 ( 1.238 0.715 -3.329) 3.623 17.365 ( 0.709 0.410 -2.627) 2.752 18.026 ( 4.550 2.627 -29.027) 29.499 ======================= Grid point 227 (45/116) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -2.754 -1.590 5.912) 6.713 0.599 ( -2.319 -1.339 7.797) 8.244 0.927 ( 1.338 0.772 0.019) 1.545 1.185 ( 1.335 0.771 2.488) 2.927 1.388 ( 0.781 0.451 0.004) 0.902 1.442 ( -9.158 -5.287 5.528) 11.932 1.792 ( -3.906 -2.255 0.967) 4.613 1.806 ( -5.281 -3.049 8.211) 10.228 1.994 ( -3.000 -1.732 3.554) 4.962 2.097 ( -6.038 -3.486 6.513) 9.541 2.101 ( -8.905 -5.141 3.029) 10.719 3.194 ( 0.624 0.360 -11.291) 11.314 4.239 ( 1.154 0.666 -8.664) 8.766 4.258 ( -2.152 -1.242 -9.856) 10.164 4.977 ( -2.861 -1.652 -2.197) 3.967 7.197 ( 4.619 2.667 4.164) 6.766 7.603 ( 0.530 0.306 2.179) 2.263 7.845 ( -5.587 -3.226 1.045) 6.536 7.983 ( -0.828 -0.478 -0.856) 1.283 8.050 ( -0.612 -0.353 0.758) 1.037 8.227 ( -4.562 -2.634 -2.050) 5.653 13.303 ( -0.267 -0.154 2.973) 2.989 13.353 ( -4.152 -2.397 2.636) 5.471 15.975 ( 1.750 1.011 -4.345) 4.792 16.046 ( 6.831 3.944 11.404) 13.866 17.378 ( 0.399 0.230 -1.986) 2.039 18.134 ( 5.422 3.130 -23.135) 23.967 ======================= Grid point 228 (46/116) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( -1.781 -1.029 9.181) 9.409 0.544 ( -2.332 -1.346 11.623) 11.930 0.984 ( 4.157 2.400 0.898) 4.883 1.101 ( -6.856 -3.959 16.279) 18.102 1.355 ( -0.146 -0.084 -2.132) 2.138 1.393 ( -0.396 -0.228 -1.667) 1.729 1.692 ( -4.256 -2.457 3.406) 5.980 1.708 ( -3.305 -1.908 1.505) 4.102 1.925 ( -2.700 -1.559 3.893) 4.988 1.935 ( -4.776 -2.758 4.317) 7.004 1.986 ( -3.503 -2.022 6.659) 7.791 3.181 ( -1.592 -0.919 -6.072) 6.344 4.225 ( -0.675 -0.389 -9.527) 9.559 4.249 ( -0.254 -0.146 -8.875) 8.879 4.925 ( -1.599 -0.923 -2.256) 2.915 7.343 ( 8.169 4.716 2.515) 9.762 7.619 ( 0.844 0.487 2.403) 2.593 7.715 ( -5.048 -2.914 2.060) 6.182 7.965 ( -0.753 -0.434 -1.007) 1.330 8.053 ( 0.402 0.232 0.535) 0.709 8.085 ( -7.910 -4.567 -3.780) 9.885 13.287 ( -1.869 -1.079 3.152) 3.820 13.291 ( -0.771 -0.445 3.428) 3.541 16.015 ( 1.687 0.974 -5.027) 5.391 16.102 ( -1.697 -0.980 -0.058) 1.960 17.383 ( 0.055 0.032 -0.865) 0.867 18.285 ( 7.367 4.254 -11.703) 14.469 ======================= Grid point 230 (47/116) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 2.850 3.322 5.779) 7.249 0.610 ( 4.429 2.775 9.938) 11.229 0.945 ( -0.433 -2.338 1.238) 2.681 1.219 ( 4.981 3.031 6.389) 8.650 1.315 ( -4.953 2.605 2.724) 6.224 1.367 ( -2.753 1.969 -0.689) 3.454 1.711 ( -0.726 5.782 1.429) 6.000 1.812 ( 3.697 3.023 6.851) 8.351 1.971 ( -0.158 5.918 4.036) 7.165 2.022 ( 4.512 5.236 3.880) 7.927 2.093 ( 5.411 6.686 5.522) 10.221 3.189 ( -0.547 -0.209 -9.725) 9.742 4.191 ( -2.855 0.453 -9.379) 9.814 4.303 ( 3.810 0.660 -9.417) 10.180 4.960 ( 1.426 2.598 -2.216) 3.701 7.237 ( -2.381 -5.733 3.744) 7.249 7.630 ( 2.060 -0.916 2.174) 3.132 7.755 ( -1.877 6.048 1.807) 6.586 7.963 ( -0.604 1.247 -1.047) 1.737 8.054 ( 0.462 0.307 0.756) 0.937 8.235 ( 6.501 5.043 -2.924) 8.731 13.267 ( -1.454 1.820 2.411) 3.353 13.404 ( 7.834 1.889 3.394) 8.745 16.027 ( 2.353 -1.408 -4.539) 5.303 16.085 ( -1.267 -3.929 6.816) 7.969 17.385 ( 0.453 -0.175 -1.668) 1.737 18.097 ( -11.193 -7.060 -18.837) 23.021 ======================= Grid point 231 (48/116) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 3.762 2.866 2.484) 5.342 0.735 ( 6.678 1.751 7.022) 9.847 0.921 ( -0.323 -1.352 1.661) 2.166 1.191 ( -3.461 -2.728 0.657) 4.456 1.270 ( -4.276 1.274 0.947) 4.562 1.472 ( 6.176 8.997 1.139) 10.972 1.777 ( 0.894 6.841 0.012) 6.899 1.877 ( 1.521 1.321 11.439) 11.615 2.029 ( -0.919 7.751 3.895) 8.724 2.177 ( 8.104 2.955 2.958) 9.119 2.263 ( 5.745 6.781 3.556) 9.572 3.164 ( -0.540 -2.037 -9.832) 10.055 4.148 ( -2.885 0.883 -9.446) 9.916 4.373 ( 3.612 0.065 -9.666) 10.318 5.019 ( 2.238 2.788 -2.246) 4.222 7.160 ( -1.779 -3.039 4.457) 5.680 7.656 ( 1.184 -0.213 1.975) 2.313 7.779 ( -0.602 3.490 0.476) 3.574 7.968 ( 0.122 0.399 -1.127) 1.202 8.083 ( 1.127 2.756 1.513) 3.340 8.371 ( 5.355 2.043 0.385) 5.744 13.268 ( -1.026 2.492 1.666) 3.168 13.571 ( 9.758 0.441 3.135) 10.259 15.945 ( -5.312 -9.769 11.922) 16.303 16.074 ( 0.437 2.425 -2.439) 3.467 17.393 ( 0.531 -0.415 -1.272) 1.440 17.833 ( -11.042 -5.268 -27.573) 30.165 ======================= Grid point 232 (49/116) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 0.710 1.184 0.276) 1.408 0.836 ( 5.241 -2.290 5.843) 8.177 0.894 ( -0.547 -4.010 -0.303) 4.058 1.157 ( -0.035 3.355 2.976) 4.484 1.208 ( -5.167 2.958 0.512) 5.976 1.664 ( 7.411 5.530 -3.898) 10.034 1.864 ( 1.110 6.770 -1.426) 7.007 1.901 ( 0.818 0.263 13.933) 13.960 2.091 ( -1.410 8.555 3.166) 9.231 2.328 ( 6.594 1.074 1.700) 6.894 2.397 ( 3.390 4.090 2.424) 5.839 3.142 ( 0.915 -3.052 -7.159) 7.836 4.116 ( -2.342 2.044 -9.340) 9.843 4.420 ( 2.236 -0.872 -9.783) 10.073 5.082 ( 2.037 2.165 -2.305) 3.762 7.111 ( -1.246 -1.831 5.341) 5.782 7.660 ( -1.109 1.081 2.025) 2.550 7.809 ( 1.623 0.926 -1.473) 2.379 7.974 ( 0.832 -0.977 -1.197) 1.754 8.137 ( 0.891 4.299 2.410) 5.008 8.456 ( 3.235 0.186 3.732) 4.942 13.279 ( -0.776 2.783 1.319) 3.176 13.719 ( 8.076 -2.396 2.425) 8.766 15.725 ( -7.004 -11.157 15.279) 20.173 16.096 ( -4.855 9.199 -3.472) 10.966 17.384 ( -1.295 -0.586 -0.358) 1.466 17.666 ( -1.112 -6.133 -32.177) 32.775 ======================= Grid point 233 (50/116) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -1.000 -0.111 0.363) 1.069 0.819 ( -1.803 -5.235 -1.459) 5.726 0.876 ( 2.000 -3.248 2.914) 4.800 1.160 ( -3.527 2.914 1.727) 4.890 1.224 ( 1.218 5.520 3.593) 6.698 1.821 ( 6.451 1.849 -5.554) 8.711 1.911 ( 0.056 0.214 12.110) 12.112 1.943 ( 0.844 5.391 0.264) 5.463 2.141 ( -2.629 8.121 2.911) 9.018 2.404 ( 2.522 -1.456 -1.154) 3.132 2.457 ( -0.035 2.171 3.250) 3.909 3.132 ( 1.882 -4.160 -4.780) 6.610 4.113 ( -1.124 3.353 -9.055) 9.721 4.428 ( 0.289 -1.760 -9.886) 10.045 5.123 ( 0.794 1.004 -2.356) 2.681 7.082 ( -0.478 -0.990 5.944) 6.045 7.645 ( -2.037 1.587 1.948) 3.235 7.849 ( 2.300 0.327 -2.879) 3.699 7.976 ( 1.296 -2.384 -0.978) 2.885 8.189 ( 0.009 4.438 2.843) 5.271 8.480 ( 0.280 -1.562 5.793) 6.006 13.295 ( -0.615 2.910 1.299) 3.245 13.775 ( 2.800 -5.995 1.343) 6.752 15.540 ( -3.171 -6.306 15.213) 16.771 16.087 ( -8.802 12.752 -4.140) 16.038 17.351 ( -1.050 -0.650 -3.094) 3.332 17.666 ( 7.642 -7.044 -29.281) 31.071 ======================= Grid point 234 (51/116) ======================= q-point: (-0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -0.959 -1.879 0.180) 2.117 0.760 ( 0.580 -0.670 -0.945) 1.295 0.841 ( -3.263 -1.097 0.255) 3.452 1.144 ( -0.849 0.942 3.131) 3.378 1.287 ( 1.183 2.988 3.154) 4.503 1.875 ( -2.217 -1.106 -1.374) 2.833 1.921 ( 1.991 -0.365 6.798) 7.093 1.988 ( -0.654 2.437 3.861) 4.612 2.153 ( -4.042 5.911 3.026) 7.774 2.403 ( -0.298 -1.709 -2.166) 2.774 2.431 ( -4.088 -0.233 3.051) 5.106 3.123 ( 1.969 -4.025 -5.207) 6.870 4.141 ( 0.218 3.686 -8.785) 9.530 4.398 ( -1.352 -2.212 -9.911) 10.244 5.125 ( -1.096 -0.144 -2.379) 2.624 7.077 ( 0.569 -0.187 5.913) 5.943 7.627 ( -1.890 1.680 1.804) 3.106 7.890 ( 1.782 0.656 -3.389) 3.885 7.970 ( 1.540 -3.762 -0.541) 4.100 8.218 ( -1.622 3.583 2.495) 4.657 8.436 ( -2.713 -2.540 6.214) 7.241 13.314 ( -0.706 3.112 1.513) 3.532 13.698 ( -3.307 -7.605 0.668) 8.320 15.523 ( 5.039 -0.255 15.569) 16.366 16.055 ( -8.872 11.739 -4.444) 15.370 17.344 ( 0.400 0.131 -3.634) 3.658 17.758 ( 10.705 -6.972 -28.225) 30.981 ======================= Grid point 235 (52/116) ======================= q-point: (-0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( -2.013 -0.509 2.690) 3.398 0.755 ( -5.568 0.778 -0.489) 5.643 0.827 ( 4.164 1.975 -0.589) 4.646 1.142 ( 0.134 0.114 2.703) 2.709 1.324 ( 1.582 -0.083 2.268) 2.767 1.767 ( -7.452 -3.998 0.221) 8.460 1.918 ( -1.992 -0.390 3.101) 3.706 1.954 ( -3.335 -1.945 9.914) 10.639 2.126 ( -4.693 4.046 2.607) 6.722 2.313 ( -6.475 -3.661 5.226) 9.091 2.365 ( -4.087 -0.698 -1.966) 4.589 3.129 ( 2.480 -1.985 -8.519) 9.092 4.183 ( 0.996 2.052 -8.782) 9.073 4.348 ( -2.151 -1.253 -9.793) 10.104 5.086 ( -2.833 -0.796 -2.347) 3.764 7.097 ( 1.704 0.540 5.330) 5.622 7.616 ( -1.313 1.766 1.748) 2.810 7.912 ( 0.223 -1.051 -2.529) 2.748 7.961 ( 1.931 -3.081 -0.500) 3.671 8.187 ( -4.809 0.730 2.295) 5.378 8.362 ( -3.470 -0.425 4.135) 5.414 13.328 ( -1.191 2.664 1.727) 3.391 13.550 ( -5.708 -4.821 1.324) 7.588 15.684 ( 11.304 2.858 16.571) 20.261 16.024 ( -6.171 8.457 -4.520) 11.403 17.359 ( 0.669 0.733 -2.921) 3.084 17.875 ( 10.487 -6.552 -28.824) 31.365 ======================= Grid point 236 (53/116) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( -2.720 1.423 6.176) 6.896 0.667 ( -5.781 1.704 2.400) 6.487 0.906 ( 2.431 1.034 0.015) 2.642 1.172 ( 2.549 2.244 0.774) 3.483 1.339 ( 1.852 -2.842 1.736) 3.811 1.554 ( -10.625 -6.451 2.864) 12.756 1.836 ( -5.563 -2.764 1.182) 6.323 1.877 ( -3.444 -0.908 10.505) 11.093 2.072 ( -5.619 2.328 3.188) 6.867 2.154 ( -6.660 -4.744 4.817) 9.490 2.246 ( -8.847 -0.320 2.421) 9.178 3.164 ( 2.584 -0.497 -11.012) 11.322 4.202 ( 0.900 -1.796 -9.157) 9.375 4.314 ( -2.168 2.052 -9.505) 9.963 5.021 ( -3.563 -0.736 -2.266) 4.287 7.147 ( 3.295 1.130 4.570) 5.747 7.617 ( -0.695 1.964 1.869) 2.799 7.865 ( -2.079 -5.045 -0.029) 5.456 7.973 ( 0.883 -0.631 -1.062) 1.518 8.095 ( -4.604 -0.475 1.914) 5.009 8.309 ( -4.384 2.020 0.206) 4.831 13.312 ( -1.806 -1.085 1.695) 2.704 13.443 ( -5.129 2.645 3.003) 6.506 15.920 ( 11.625 2.677 15.022) 19.182 16.015 ( -2.816 5.308 -4.520) 7.519 17.376 ( 0.391 0.767 -2.244) 2.403 17.982 ( 9.706 -6.422 -27.084) 29.478 ======================= Grid point 241 (54/116) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 3.861 0.183 4.336) 5.808 0.767 ( 2.157 2.076 1.505) 3.351 0.863 ( -0.692 -4.525 -0.689) 4.629 1.161 ( 1.446 0.140 2.103) 2.556 1.295 ( -2.531 1.071 1.124) 2.969 1.676 ( 1.097 10.360 -2.205) 10.649 1.899 ( -0.251 0.844 12.190) 12.222 1.918 ( 1.113 6.818 1.108) 6.997 2.206 ( 2.702 7.701 3.092) 8.727 2.230 ( 3.237 4.245 2.965) 6.106 2.375 ( 3.882 4.223 0.826) 5.796 3.108 ( -1.496 -3.447 -8.020) 8.857 4.179 ( -1.815 1.965 -9.425) 9.798 4.363 ( 2.725 -0.692 -9.433) 9.843 5.076 ( 1.495 2.808 -2.336) 3.947 7.108 ( -0.783 -2.190 5.285) 5.774 7.657 ( 2.363 0.382 1.427) 2.787 7.840 ( -3.146 2.626 -0.604) 4.142 7.953 ( -0.043 -1.810 -1.521) 2.365 8.172 ( 1.148 5.659 2.956) 6.487 8.395 ( 3.856 0.510 2.934) 4.872 13.334 ( -0.976 3.728 1.141) 4.019 13.559 ( 6.794 -0.876 3.131) 7.532 15.721 ( -5.670 -11.668 15.936) 20.549 16.163 ( 7.215 6.241 -6.322) 11.445 17.379 ( 0.755 -0.934 -1.783) 2.150 17.716 ( -12.474 -6.957 -28.776) 32.126 ======================= Grid point 242 (55/116) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -0.619 0.535 0.130) 0.828 0.779 ( 2.306 -3.640 5.243) 6.786 0.800 ( -0.657 -3.716 -0.838) 3.866 1.230 ( 2.791 3.499 1.624) 4.761 1.266 ( -2.852 2.440 1.075) 3.904 1.773 ( 1.665 4.296 -4.888) 6.718 1.903 ( 0.705 0.201 14.522) 14.541 2.003 ( 0.423 7.316 -2.141) 7.634 2.283 ( -2.583 8.917 3.257) 9.838 2.327 ( 4.366 -1.202 -0.382) 4.545 2.475 ( 2.638 5.080 1.188) 5.846 3.049 ( 0.364 -6.453 -4.583) 7.923 4.180 ( -1.647 4.119 -9.383) 10.379 4.388 ( 1.764 -2.207 -9.599) 10.007 5.121 ( 0.992 1.626 -2.271) 2.964 7.078 ( -0.534 -1.369 6.010) 6.187 7.693 ( -0.087 2.183 1.483) 2.641 7.824 ( -0.102 0.542 -1.339) 1.448 7.935 ( 0.486 -2.667 -1.862) 3.289 8.239 ( 0.193 5.508 3.642) 6.607 8.442 ( 2.110 -1.501 5.010) 5.640 13.353 ( -1.486 4.511 1.396) 4.951 13.637 ( 5.397 -5.202 2.747) 7.984 15.531 ( -4.217 -8.084 15.061) 17.606 16.344 ( -0.133 15.667 -8.820) 17.980 17.373 ( -1.817 -0.491 -1.172) 2.217 17.478 ( -1.141 -12.994 -28.162) 31.036 ======================= Grid point 243 (56/116) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -1.141 -1.313 2.091) 2.720 0.752 ( -0.448 -0.773 -1.240) 1.529 0.812 ( 2.520 -3.057 2.882) 4.899 1.228 ( -4.330 3.531 1.132) 5.701 1.296 ( 0.864 1.839 1.768) 2.694 1.833 ( 3.529 -1.006 -2.533) 4.459 1.912 ( -0.530 0.187 11.270) 11.284 2.063 ( -2.026 6.333 -1.923) 6.922 2.282 ( -3.368 2.232 1.416) 4.281 2.372 ( 1.847 0.323 -0.240) 1.891 2.527 ( -4.339 6.041 1.407) 7.570 3.010 ( 4.076 -7.743 -3.194) 9.315 4.199 ( -1.597 4.824 -9.189) 10.500 4.380 ( 0.479 -2.967 -9.762) 10.214 5.138 ( -0.229 0.486 -2.222) 2.286 7.065 ( 0.224 -0.602 6.288) 6.321 7.692 ( -2.732 2.951 1.484) 4.286 7.852 ( 2.953 -0.282 -1.591) 3.366 7.914 ( 0.453 -3.281 -2.022) 3.881 8.283 ( -1.161 4.568 3.753) 6.024 8.436 ( -0.216 -2.699 5.921) 6.510 13.373 ( -1.544 4.798 1.774) 5.344 13.633 ( 1.585 -7.421 2.145) 7.886 15.449 ( 1.497 -2.980 14.542) 14.919 16.409 ( -12.874 18.569 -10.344) 24.851 17.326 ( 1.916 -3.456 -9.963) 10.719 17.458 ( 10.169 -11.778 -18.000) 23.793 ======================= Grid point 245 (57/116) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -0.949 1.436 3.016) 3.473 0.776 ( 3.018 1.279 -1.184) 3.484 0.805 ( -0.174 -2.248 1.387) 2.648 1.186 ( -3.992 2.887 1.744) 5.226 1.308 ( 0.131 -0.619 1.633) 1.751 1.830 ( -3.003 -3.605 -6.044) 7.651 1.902 ( 0.574 -0.597 15.296) 15.319 2.034 ( -5.535 0.927 -0.118) 5.613 2.249 ( -3.384 3.430 0.782) 4.881 2.373 ( -2.611 -2.316 2.992) 4.597 2.448 ( -7.288 2.384 -0.513) 7.685 3.041 ( 5.176 -2.981 -4.917) 7.736 4.207 ( -1.559 1.715 -9.237) 9.523 4.360 ( -0.233 -0.763 -9.596) 9.629 5.122 ( -1.840 -0.148 -2.289) 2.940 7.075 ( 1.228 0.058 5.994) 6.118 7.671 ( -2.547 2.444 1.298) 3.761 7.882 ( 0.745 -4.552 -0.608) 4.652 7.907 ( 2.275 1.088 -2.531) 3.573 8.269 ( -4.015 0.529 3.495) 5.350 8.404 ( -1.243 0.222 5.192) 5.344 13.383 ( -2.110 2.317 1.576) 3.508 13.572 ( -1.348 -2.970 2.274) 3.977 15.525 ( 8.550 0.264 15.296) 17.526 16.303 ( -14.657 10.649 -9.051) 20.252 17.354 ( 1.290 1.141 -4.293) 4.626 17.566 ( 14.850 -10.577 -24.685) 30.688 ======================= Grid point 253 (58/116) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 0.323 -1.232 4.880) 5.044 0.756 ( 0.754 -0.940 -0.173) 1.217 0.764 ( -1.982 -0.278 0.317) 2.026 1.283 ( 2.980 1.622 1.049) 3.551 1.301 ( -1.139 1.068 1.214) 1.978 1.804 ( -1.186 -0.451 -1.093) 1.675 1.916 ( 0.526 0.721 9.828) 9.868 2.141 ( 2.484 6.020 -2.402) 6.941 2.266 ( -0.734 -3.731 -2.326) 4.458 2.387 ( 0.064 1.467 3.515) 3.809 2.640 ( 5.837 9.998 -0.011) 11.577 2.895 ( -4.687 -8.469 -2.099) 9.904 4.261 ( 1.250 3.484 -9.472) 10.169 4.339 ( -0.664 -2.492 -9.573) 9.914 5.143 ( 0.313 0.567 -2.120) 2.217 7.060 ( -0.245 -0.482 6.432) 6.454 7.742 ( 2.360 2.603 1.115) 3.686 7.819 ( -2.441 -1.479 0.536) 2.904 7.889 ( -0.057 -1.225 -3.785) 3.979 8.335 ( 1.166 3.684 4.651) 6.047 8.403 ( -0.180 -2.103 5.417) 5.814 13.442 ( 1.098 3.895 2.011) 4.519 13.542 ( -0.656 -3.817 2.612) 4.672 15.421 ( -1.652 -2.939 14.203) 14.598 16.685 ( 11.438 17.363 -15.143) 25.722 17.170 ( -10.972 -16.592 -23.134) 30.510 17.369 ( -0.446 -0.236 -0.932) 1.060 ======================= Grid point 327 (59/116) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 0.000 -0.000 10.137) 10.137 0.743 ( -0.000 0.000 10.137) 10.137 1.077 ( 0.000 -0.000 0.890) 0.890 1.301 ( 0.000 0.000 -3.595) 3.595 1.301 ( 0.000 0.000 -3.595) 3.595 1.411 ( 0.000 0.000 16.470) 16.470 1.716 ( 0.000 -0.000 4.372) 4.372 1.716 ( 0.000 -0.000 4.372) 4.372 1.953 ( 0.000 -0.000 2.217) 2.217 1.953 ( 0.000 0.000 2.217) 2.217 2.091 ( 0.000 -0.000 6.744) 6.744 3.130 ( -0.000 -0.000 -1.441) 1.441 4.025 ( 0.000 0.000 -10.055) 10.055 4.025 ( 0.000 -0.000 -10.055) 10.055 4.855 ( 0.000 0.000 -2.484) 2.484 7.483 ( 0.000 -0.000 1.231) 1.231 7.695 ( 0.000 0.000 2.534) 2.534 7.695 ( 0.000 -0.000 2.534) 2.534 7.924 ( 0.000 0.000 -1.268) 1.268 7.924 ( 0.000 0.000 -1.268) 1.268 8.040 ( 0.000 0.000 -2.403) 2.403 13.347 ( 0.000 0.000 3.634) 3.634 13.347 ( -0.000 0.000 3.634) 3.634 15.934 ( 0.000 0.000 -5.314) 5.314 15.934 ( -0.000 -0.000 -5.314) 5.314 17.392 ( 0.000 0.000 1.030) 1.030 18.239 ( 0.000 0.000 -7.656) 7.656 ======================= Grid point 328 (60/116) ======================= q-point: ( 0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -1.046 -0.604 7.979) 8.070 0.796 ( 3.189 1.841 10.801) 11.412 1.043 ( -1.517 -0.876 2.216) 2.825 1.243 ( -2.659 -1.535 -3.430) 4.603 1.346 ( 0.192 0.111 -2.341) 2.351 1.423 ( 1.186 0.685 13.346) 13.416 1.696 ( 0.075 0.043 3.992) 3.993 1.831 ( 7.464 4.310 4.290) 9.628 1.967 ( 1.430 0.826 2.679) 3.147 2.029 ( 6.017 3.474 3.176) 7.639 2.135 ( 3.896 2.250 6.198) 7.659 3.093 ( -2.978 -1.719 -3.000) 4.563 3.990 ( -1.804 -1.041 -9.801) 10.020 4.069 ( 2.567 1.482 -10.374) 10.789 4.874 ( 1.664 0.961 -2.416) 3.087 7.395 ( -5.513 -3.183 2.351) 6.787 7.708 ( 1.751 1.011 2.644) 3.328 7.711 ( 0.444 0.256 2.289) 2.345 7.920 ( 0.131 0.076 -1.145) 1.155 8.025 ( 1.541 0.890 -2.912) 3.413 8.077 ( 7.990 4.613 -1.092) 9.290 13.321 ( -1.165 -0.673 3.481) 3.731 13.419 ( 5.293 3.056 3.012) 6.814 15.952 ( 0.470 0.271 -5.095) 5.123 15.991 ( 5.289 3.054 -5.655) 8.323 17.381 ( -0.987 -0.570 0.689) 1.331 18.064 ( -14.646 -8.456 -7.770) 18.612 ======================= Grid point 329 (61/116) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 0.325 0.187 3.913) 3.931 0.884 ( 4.184 2.416 8.959) 10.179 1.024 ( -0.616 -0.356 4.388) 4.445 1.185 ( -2.292 -1.323 -1.842) 3.224 1.299 ( -3.831 -2.212 -0.752) 4.487 1.467 ( 2.710 1.565 6.891) 7.568 1.722 ( 2.125 1.227 3.290) 4.104 2.006 ( 7.150 4.128 5.834) 10.109 2.009 ( 2.170 1.253 3.493) 4.299 2.196 ( 7.821 4.516 4.937) 10.293 2.257 ( 6.414 3.703 4.985) 8.928 3.021 ( -2.672 -1.543 -6.228) 6.950 3.945 ( -2.097 -1.211 -9.673) 9.971 4.133 ( 2.927 1.690 -10.745) 11.264 4.926 ( 2.813 1.624 -2.292) 3.975 7.290 ( -3.420 -1.975 3.260) 5.121 7.713 ( -0.305 -0.176 1.974) 2.006 7.754 ( 1.780 1.028 1.970) 2.847 7.931 ( 0.825 0.476 -0.921) 1.325 8.047 ( 1.654 0.955 -1.626) 2.508 8.292 ( 9.264 5.348 -0.260) 10.700 13.298 ( -0.764 -0.441 2.869) 3.001 13.572 ( 7.634 4.407 1.769) 8.990 15.953 ( -0.377 -0.217 -4.271) 4.293 16.121 ( 4.854 2.803 -3.711) 6.723 17.340 ( -3.269 -1.888 -2.355) 4.449 17.651 ( -18.980 -10.958 -8.618) 23.550 ======================= Grid point 330 (62/116) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 1.689 0.975 0.924) 2.158 0.951 ( 0.623 0.360 2.415) 2.520 0.994 ( -2.338 -1.350 3.572) 4.477 1.164 ( 1.320 0.762 3.446) 3.768 1.206 ( -3.515 -2.029 -0.204) 4.064 1.544 ( 3.975 2.295 0.567) 4.625 1.787 ( 3.417 1.973 2.658) 4.758 2.062 ( 2.408 1.390 3.887) 4.780 2.133 ( 3.953 2.282 9.526) 10.563 2.351 ( 5.375 3.103 4.643) 7.751 2.404 ( 6.073 3.507 4.229) 8.189 2.996 ( 0.643 0.371 -7.920) 7.955 3.900 ( -1.715 -0.990 -9.725) 9.925 4.192 ( 2.081 1.202 -10.932) 11.193 4.994 ( 2.945 1.700 -2.239) 4.071 7.236 ( -1.624 -0.937 3.884) 4.313 7.699 ( -0.859 -0.496 1.776) 2.034 7.778 ( 0.394 0.227 -0.315) 0.553 7.954 ( 1.121 0.647 -0.763) 1.503 8.108 ( 3.431 1.981 0.841) 4.050 8.476 ( 6.730 3.885 2.031) 8.032 13.288 ( -0.143 -0.083 2.092) 2.099 13.739 ( 6.510 3.759 0.761) 7.556 15.936 ( -1.031 -0.595 -3.198) 3.412 16.149 ( -3.503 -2.023 5.084) 6.497 17.148 ( -11.353 -6.555 -21.517) 25.196 17.399 ( -3.170 -1.830 -0.572) 3.705 ======================= Grid point 331 (63/116) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -0.114 -0.066 0.884) 0.894 0.910 ( -4.814 -2.779 -0.171) 5.562 0.910 ( -3.297 -1.904 -1.497) 4.091 1.170 ( 0.328 0.189 0.249) 0.453 1.237 ( 4.059 2.344 6.045) 7.650 1.643 ( 4.688 2.707 -4.002) 6.732 1.866 ( 3.310 1.911 2.197) 4.408 2.113 ( 1.937 1.119 3.868) 4.469 2.198 ( 2.182 1.259 11.824) 12.090 2.429 ( 1.437 0.830 3.366) 3.753 2.513 ( 3.228 1.864 4.074) 5.522 3.031 ( 1.672 0.965 -7.063) 7.322 3.875 ( -0.339 -0.196 -9.956) 9.964 4.222 ( 0.441 0.254 -10.758) 10.770 5.051 ( 1.904 1.099 -2.286) 3.171 7.209 ( -0.840 -0.485 4.515) 4.618 7.677 ( -0.994 -0.574 1.778) 2.116 7.784 ( 0.390 0.225 -2.394) 2.436 7.978 ( 0.900 0.520 -0.743) 1.278 8.184 ( 2.957 1.707 2.736) 4.375 8.587 ( 2.873 1.659 4.056) 5.240 13.291 ( 0.395 0.228 1.445) 1.516 13.841 ( 2.007 1.159 0.308) 2.338 15.910 ( -1.171 -0.676 -2.276) 2.647 15.981 ( -8.913 -5.146 12.119) 15.899 17.005 ( -1.485 -0.857 -29.526) 29.576 17.373 ( 0.162 0.093 -1.554) 1.565 ======================= Grid point 332 (64/116) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -0.884 -0.511 0.702) 1.239 0.804 ( -3.734 -2.156 -1.582) 4.593 0.830 ( -3.469 -2.003 -0.886) 4.103 1.194 ( 1.114 0.643 1.097) 1.691 1.320 ( 3.054 1.763 4.728) 5.898 1.742 ( 3.480 2.009 -6.326) 7.494 1.927 ( 1.849 1.067 1.992) 2.920 2.144 ( 0.684 0.395 3.504) 3.592 2.249 ( 2.557 1.476 12.781) 13.118 2.417 ( -2.414 -1.393 2.481) 3.731 2.541 ( -0.780 -0.451 4.276) 4.370 3.044 ( -0.849 -0.490 -6.578) 6.650 3.888 ( 1.485 0.858 -10.223) 10.366 4.212 ( -1.271 -0.734 -10.316) 10.420 5.074 ( 0.061 0.035 -2.361) 2.362 7.196 ( -0.319 -0.184 4.799) 4.813 7.657 ( -0.755 -0.436 1.940) 2.127 7.801 ( 1.137 0.656 -3.460) 3.701 7.992 ( 0.347 0.201 -0.809) 0.903 8.230 ( 0.861 0.497 3.174) 3.326 8.601 ( -1.687 -0.974 5.178) 5.532 13.304 ( 0.760 0.439 1.117) 1.421 13.815 ( -4.202 -2.426 0.665) 4.898 15.857 ( -0.597 -0.345 13.861) 13.878 15.887 ( -0.829 -0.479 -1.819) 2.056 17.024 ( 2.236 1.291 -29.196) 29.310 17.396 ( 1.746 1.008 -4.545) 4.972 ======================= Grid point 334 (65/116) ======================= q-point: (-0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -0.885 -0.511 0.209) 1.043 0.763 ( -2.310 -1.334 1.025) 2.857 0.787 ( 2.396 1.383 0.013) 2.767 1.202 ( -0.516 -0.298 1.904) 1.995 1.371 ( 1.435 0.829 2.866) 3.311 1.777 ( -0.710 -0.410 -4.331) 4.408 1.944 ( -0.350 -0.202 2.248) 2.284 2.141 ( -0.945 -0.545 2.755) 2.963 2.274 ( -3.473 -2.005 12.136) 12.781 2.360 ( 0.112 0.065 2.449) 2.452 2.483 ( -4.120 -2.379 4.695) 6.684 2.994 ( -3.036 -1.753 -7.902) 8.645 3.936 ( 2.524 1.457 -10.418) 10.818 4.168 ( -2.438 -1.407 -9.847) 10.242 5.053 ( -1.837 -1.061 -2.381) 3.189 7.196 ( 0.375 0.216 4.575) 4.595 7.645 ( -0.284 -0.164 2.187) 2.211 7.834 ( 1.725 0.996 -3.537) 4.060 7.993 ( -0.276 -0.160 -0.914) 0.968 8.216 ( -2.212 -1.277 2.207) 3.376 8.518 ( -5.236 -3.023 5.288) 8.033 13.324 ( 0.963 0.556 1.193) 1.631 13.678 ( -7.056 -4.074 1.811) 8.347 15.874 ( -0.277 -0.160 -1.976) 2.002 15.953 ( 7.875 4.547 14.944) 17.493 17.089 ( 3.567 2.059 -26.373) 26.693 17.448 ( 2.840 1.640 -8.085) 8.724 ======================= Grid point 335 (66/116) ======================= q-point: (-0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 1.549 0.894 3.281) 3.737 0.726 ( -0.984 -0.568 3.543) 3.720 0.879 ( 4.826 2.786 1.205) 5.701 1.181 ( -0.690 -0.398 1.706) 1.883 1.387 ( 0.058 0.033 0.881) 0.883 1.709 ( -5.064 -2.924 0.405) 5.861 1.911 ( -2.460 -1.420 2.960) 4.103 2.105 ( -2.147 -1.240 1.857) 3.098 2.122 ( -8.243 -4.759 6.345) 11.440 2.352 ( -3.343 -1.930 7.126) 8.104 2.367 ( -5.811 -3.355 5.346) 8.579 2.951 ( 0.214 0.124 -9.339) 9.342 3.993 ( 2.255 1.302 -10.544) 10.861 4.108 ( -2.752 -1.589 -9.563) 10.077 4.997 ( -2.979 -1.720 -2.344) 4.162 7.217 ( 1.622 0.937 4.091) 4.500 7.644 ( 0.238 0.138 2.431) 2.447 7.872 ( 1.249 0.721 -2.682) 3.045 7.981 ( -0.745 -0.430 -1.035) 1.346 8.130 ( -4.999 -2.886 0.746) 5.821 8.381 ( -6.569 -3.792 3.841) 8.502 13.346 ( 0.906 0.523 1.675) 1.975 13.527 ( -5.833 -3.368 3.020) 7.382 15.874 ( 0.278 0.161 -2.712) 2.731 16.134 ( 6.090 3.516 10.771) 12.864 17.196 ( 5.948 3.434 -16.356) 17.740 17.536 ( 5.603 3.235 -12.373) 13.962 ======================= Grid point 336 (67/116) ======================= q-point: (-0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -0.086 -0.050 6.100) 6.101 0.770 ( 2.218 1.280 7.083) 7.532 0.956 ( 1.724 0.996 3.267) 3.826 1.211 ( 3.575 2.064 0.257) 4.136 1.377 ( -0.947 -0.547 -1.073) 1.532 1.563 ( -7.238 -4.179 5.353) 9.925 1.842 ( -3.405 -1.966 3.671) 5.380 1.930 ( -8.293 -4.788 4.579) 10.614 2.049 ( -2.712 -1.566 1.499) 3.472 2.201 ( -8.710 -5.029 5.540) 11.482 2.234 ( -5.576 -3.219 6.095) 8.866 3.007 ( 3.912 2.259 -6.674) 8.059 4.032 ( 1.098 0.634 -10.543) 10.619 4.051 ( -2.115 -1.221 -9.545) 9.853 4.928 ( -2.880 -1.663 -2.340) 4.066 7.277 ( 3.821 2.206 3.525) 5.647 7.655 ( 0.673 0.389 2.597) 2.711 7.860 ( -3.109 -1.795 0.151) 3.593 7.961 ( -0.942 -0.544 -1.159) 1.589 8.033 ( -2.261 -1.306 -1.670) 3.099 8.223 ( -7.374 -4.258 1.043) 8.579 13.362 ( 0.433 0.250 2.448) 2.499 13.420 ( -3.599 -2.078 3.594) 5.494 15.886 ( 0.776 0.448 -3.794) 3.898 16.167 ( -3.292 -1.900 -0.138) 3.803 17.323 ( 4.099 2.367 -2.357) 5.288 17.751 ( 13.569 7.834 -13.140) 20.449 ======================= Grid point 337 (68/116) ======================= q-point: (-0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 0.568 0.328 8.350) 8.375 0.784 ( -1.269 -0.733 10.574) 10.675 1.013 ( 3.935 2.272 1.797) 4.887 1.283 ( 1.159 0.669 -2.205) 2.580 1.346 ( -1.701 -0.982 -2.706) 3.344 1.431 ( -3.031 -1.750 12.150) 12.644 1.766 ( -5.525 -3.190 4.274) 7.679 1.768 ( -2.870 -1.657 4.165) 5.322 1.988 ( -2.446 -1.412 1.883) 3.395 2.019 ( -6.149 -3.550 3.454) 7.895 2.130 ( -3.324 -1.919 6.567) 7.607 3.092 ( 3.099 1.789 -3.054) 4.705 4.018 ( -0.629 -0.363 -9.758) 9.785 4.041 ( -0.220 -0.127 -10.351) 10.354 4.874 ( -1.690 -0.976 -2.423) 3.111 7.391 ( 5.877 3.393 2.478) 7.224 7.674 ( 0.935 0.540 2.637) 2.849 7.759 ( -4.424 -2.554 2.000) 5.486 7.940 ( -0.858 -0.495 -1.254) 1.598 8.009 ( -2.648 -1.529 -2.764) 4.122 8.060 ( -4.780 -2.760 -0.913) 5.595 13.359 ( -1.780 -1.028 3.624) 4.166 13.363 ( -0.358 -0.207 3.224) 3.250 15.908 ( 1.112 0.642 -4.808) 4.977 16.034 ( -6.738 -3.890 -5.350) 9.442 17.379 ( 1.276 0.737 0.725) 1.642 18.078 ( 12.829 7.407 -8.547) 17.102 ======================= Grid point 339 (69/116) ======================= q-point: ( 0.10 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -0.647 -0.430 5.491) 5.545 0.825 ( 3.779 0.184 9.532) 10.256 0.989 ( 1.124 -2.972 3.052) 4.406 1.240 ( -1.982 -1.715 -1.378) 2.961 1.341 ( -2.573 0.286 -1.455) 2.970 1.472 ( -0.660 5.477 8.379) 10.032 1.760 ( -1.931 5.435 3.528) 6.761 1.926 ( 6.563 5.499 4.736) 9.785 2.041 ( 1.082 5.546 2.357) 6.122 2.117 ( 3.767 5.201 4.584) 7.890 2.222 ( 4.475 6.580 6.016) 9.976 3.034 ( -1.890 -3.959 -5.457) 7.002 3.985 ( -2.845 0.385 -9.796) 10.208 4.090 ( 3.341 0.727 -10.425) 10.971 4.911 ( 1.478 2.642 -2.339) 3.826 7.307 ( -2.072 -4.565 3.205) 5.950 7.682 ( 1.838 -1.162 2.541) 3.344 7.791 ( -1.900 4.472 1.391) 5.054 7.940 ( -0.586 1.253 -1.108) 1.772 8.037 ( 1.322 1.446 -1.994) 2.795 8.205 ( 7.093 7.211 -0.312) 10.120 13.326 ( -2.014 1.030 3.028) 3.780 13.469 ( 7.075 2.000 2.740) 7.846 15.927 ( 2.772 -0.971 -4.594) 5.453 16.112 ( 0.650 5.968 -3.415) 6.907 17.350 ( -1.084 -2.939 -0.775) 3.227 17.803 ( -12.587 -15.789 -10.098) 22.576 ======================= Grid point 340 (70/116) ======================= q-point: ( 0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 1.437 0.795 1.464) 2.200 0.900 ( 4.478 -0.953 6.322) 7.806 0.965 ( 0.097 -4.430 3.347) 5.553 1.200 ( -1.304 -0.035 0.723) 1.492 1.277 ( -4.941 1.226 -0.441) 5.110 1.525 ( 0.950 5.059 3.470) 6.208 1.801 ( -0.020 5.869 2.491) 6.376 2.066 ( 3.454 4.610 6.288) 8.528 2.119 ( 0.927 6.859 4.512) 8.262 2.248 ( 7.216 1.559 3.953) 8.374 2.371 ( 4.545 6.198 6.070) 9.793 2.980 ( -0.049 -2.351 -7.770) 8.118 3.941 ( -2.834 0.744 -9.786) 10.215 4.153 ( 3.190 0.343 -10.690) 11.161 4.971 ( 2.268 2.734 -2.262) 4.211 7.246 ( -1.284 -2.211 3.733) 4.525 7.700 ( 1.056 -0.656 2.064) 2.409 7.789 ( -1.663 1.760 0.178) 2.428 7.943 ( 0.258 -0.050 -1.232) 1.259 8.099 ( 2.047 4.888 0.338) 5.310 8.392 ( 7.443 4.539 1.339) 8.820 13.311 ( -1.403 1.729 2.296) 3.198 13.623 ( 8.679 0.821 1.740) 8.890 15.962 ( 0.382 1.657 -4.072) 4.413 16.146 ( -0.030 -1.834 2.453) 3.063 17.242 ( -7.562 -8.633 -13.423) 17.660 17.466 ( -9.043 -5.790 -5.096) 11.886 ======================= Grid point 341 (71/116) ======================= q-point: ( 0.30 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 1.029 0.525 0.077) 1.158 0.881 ( -1.736 -5.912 -0.871) 6.223 0.955 ( 1.191 -1.988 4.914) 5.433 1.196 ( -1.133 1.202 -0.212) 1.665 1.236 ( -1.152 4.002 3.000) 5.133 1.599 ( 2.797 3.298 -1.843) 4.701 1.868 ( 1.028 5.690 1.977) 6.111 2.141 ( 0.330 4.851 6.516) 8.130 2.193 ( 0.575 5.216 7.831) 9.427 2.368 ( 5.510 -0.496 2.919) 6.255 2.484 ( 3.242 3.298 5.120) 6.899 2.989 ( 2.589 -1.280 -7.430) 7.971 3.909 ( -2.241 1.933 -9.886) 10.319 4.198 ( 2.048 -0.570 -10.750) 10.958 5.033 ( 1.998 2.125 -2.257) 3.688 7.214 ( -0.676 -1.083 4.363) 4.546 7.701 ( -0.940 0.724 1.749) 2.113 7.779 ( -0.242 0.017 -1.548) 1.567 7.951 ( 1.307 -1.208 -0.906) 1.997 8.186 ( 1.578 5.729 2.244) 6.352 8.533 ( 5.161 1.790 3.360) 6.413 13.311 ( -1.032 2.457 1.657) 3.138 13.756 ( 6.826 -1.781 1.046) 7.132 15.950 ( -3.845 -0.204 1.541) 4.147 16.069 ( -4.297 -3.112 4.814) 7.164 17.018 ( -5.230 -6.639 -27.393) 28.667 17.376 ( -1.144 -0.862 -0.499) 1.517 ======================= Grid point 342 (72/116) ======================= q-point: ( 0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -0.684 -0.666 0.339) 1.013 0.791 ( -1.973 -4.620 -1.016) 5.125 0.920 ( -3.471 -0.593 1.187) 3.716 1.191 ( -0.716 2.125 0.587) 2.318 1.295 ( 2.538 2.611 3.397) 4.980 1.683 ( 4.415 0.970 -5.727) 7.296 1.937 ( 0.499 5.064 1.830) 5.407 2.177 ( -0.527 3.133 6.744) 7.455 2.250 ( -0.073 5.861 8.750) 10.532 2.408 ( 1.062 -2.736 2.790) 4.049 2.543 ( 0.892 1.058 4.236) 4.456 3.015 ( 2.164 -2.751 -6.218) 7.135 3.907 ( -1.027 3.288 -10.085) 10.657 4.208 ( 0.371 -1.533 -10.504) 10.621 5.073 ( 0.697 1.047 -2.309) 2.629 7.198 ( -0.343 -0.539 4.870) 4.911 7.685 ( -1.929 1.325 1.753) 2.924 7.786 ( 1.049 0.130 -3.011) 3.191 7.960 ( 1.664 -2.224 -0.538) 2.830 8.254 ( -0.050 5.001 3.155) 5.913 8.594 ( 1.337 -0.982 4.767) 5.048 13.323 ( -0.777 3.032 1.261) 3.375 13.799 ( 1.679 -4.977 0.941) 5.336 15.837 ( -2.429 -5.458 11.600) 13.048 16.005 ( -6.252 6.846 -2.739) 9.668 16.957 ( 3.298 -4.484 -29.303) 29.827 17.371 ( 1.083 -0.453 -2.051) 2.364 ======================= Grid point 343 (73/116) ======================= q-point: (-0.50 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -1.122 -0.133 0.182) 1.144 0.746 ( 1.033 -0.693 -0.046) 1.245 0.846 ( -4.819 0.952 0.306) 4.922 1.201 ( -0.012 0.404 1.995) 2.036 1.348 ( 1.694 0.620 2.655) 3.210 1.750 ( 2.822 -1.312 -6.427) 7.141 1.972 ( -1.372 3.215 2.151) 4.104 2.188 ( -1.677 2.868 4.689) 5.747 2.295 ( -1.193 2.335 12.053) 12.335 2.369 ( -1.130 -1.698 0.661) 2.145 2.525 ( -2.862 -1.207 4.577) 5.531 2.998 ( -0.248 -3.804 -6.517) 7.550 3.935 ( 0.278 3.492 -10.329) 10.907 4.183 ( -1.143 -1.997 -10.070) 10.329 5.074 ( -1.157 -0.058 -2.352) 2.622 7.193 ( 0.101 -0.081 4.880) 4.882 7.667 ( -1.632 1.317 1.863) 2.805 7.815 ( 1.628 0.791 -3.567) 4.000 7.961 ( 1.471 -3.052 -0.344) 3.405 8.274 ( -2.707 3.523 2.751) 5.226 8.561 ( -2.777 -2.789 5.340) 6.634 13.342 ( -0.692 3.312 1.095) 3.557 13.722 ( -3.540 -6.173 1.586) 7.290 15.839 ( 6.003 -0.163 12.930) 14.257 15.970 ( -5.661 6.827 -2.611) 9.245 17.005 ( 6.140 -3.093 -28.750) 29.561 17.398 ( 2.750 -0.832 -4.120) 5.023 ======================= Grid point 344 (74/116) ======================= q-point: (-0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( -0.839 0.664 0.199) 1.088 0.779 ( -1.776 3.448 3.669) 5.339 0.823 ( 3.603 1.804 0.237) 4.036 1.193 ( -0.849 -0.351 2.153) 2.341 1.366 ( 1.003 -1.459 1.643) 2.416 1.734 ( -1.868 -3.908 -2.731) 5.121 1.951 ( -3.132 0.160 2.563) 4.050 2.171 ( -4.206 2.965 1.801) 5.452 2.207 ( -5.577 -3.589 8.906) 11.104 2.367 ( -2.112 -0.867 3.733) 4.375 2.442 ( -4.015 -0.936 6.791) 7.944 2.951 ( -0.951 -2.003 -8.419) 8.706 3.975 ( 1.057 1.691 -10.494) 10.682 4.138 ( -2.032 -1.076 -9.748) 10.015 5.035 ( -2.800 -0.736 -2.341) 3.723 7.202 ( 0.900 0.425 4.445) 4.555 7.658 ( -0.913 1.413 2.111) 2.699 7.850 ( 1.597 0.272 -3.190) 3.578 7.952 ( 1.137 -3.127 -0.420) 3.354 8.225 ( -5.904 1.212 1.500) 6.211 8.461 ( -5.588 -2.077 4.712) 7.599 13.359 ( -0.788 2.299 1.160) 2.693 13.594 ( -5.094 -3.158 2.686) 6.568 15.931 ( -3.451 5.261 -3.304) 7.107 16.017 ( 9.617 1.601 13.351) 16.532 17.100 ( 7.467 -0.831 -25.131) 26.230 17.447 ( 4.639 -1.682 -6.660) 8.289 ======================= Grid point 345 (75/116) ======================= q-point: (-0.30 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -0.511 -0.225 2.203) 2.272 0.800 ( -0.753 5.204 6.599) 8.438 0.925 ( 4.094 1.968 2.301) 5.092 1.189 ( 0.935 1.176 0.902) 1.753 1.358 ( 0.719 -2.945 0.148) 3.035 1.617 ( -5.453 -6.030 2.689) 8.564 1.871 ( -4.177 -3.260 2.849) 6.016 2.053 ( -7.896 -0.869 5.396) 9.603 2.130 ( -5.370 2.701 2.431) 6.484 2.247 ( -5.605 -5.632 4.770) 9.267 2.360 ( -7.232 0.301 7.200) 10.209 2.960 ( 2.757 0.791 -8.372) 8.850 3.993 ( 1.039 -1.852 -10.207) 10.425 4.104 ( -2.202 1.746 -10.002) 10.389 4.972 ( -3.516 -0.712 -2.310) 4.267 7.236 ( 2.496 0.890 3.867) 4.688 7.664 ( -0.276 1.736 2.378) 2.957 7.855 ( -0.001 -3.053 -1.085) 3.240 7.947 ( 0.875 -1.124 -1.283) 1.917 8.113 ( -6.625 -0.276 0.277) 6.637 8.340 ( -7.628 0.338 2.269) 7.966 13.352 ( -0.708 -1.190 1.932) 2.377 13.509 ( -4.763 2.985 3.067) 6.403 15.921 ( -2.357 3.627 -4.018) 5.903 16.154 ( 3.692 -0.894 5.908) 7.024 17.244 ( 8.112 1.444 -11.235) 13.933 17.548 ( 11.021 -2.234 -11.052) 15.767 ======================= Grid point 350 (76/116) ======================= q-point: ( 0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 1.456 0.905 -0.693) 1.849 0.853 ( -0.596 -4.093 0.111) 4.138 0.876 ( 4.046 -3.222 6.507) 8.312 1.195 ( 0.940 0.494 1.394) 1.752 1.316 ( -3.055 1.857 0.836) 3.671 1.641 ( -2.227 5.279 -1.536) 5.932 1.923 ( 0.226 6.153 2.106) 6.507 2.157 ( 1.517 4.439 9.065) 10.207 2.256 ( 6.302 1.837 2.352) 6.973 2.295 ( -1.183 7.896 2.693) 8.426 2.458 ( 3.062 2.291 7.179) 8.134 2.941 ( 0.724 -1.351 -7.888) 8.036 3.968 ( -1.749 1.786 -10.139) 10.443 4.151 ( 2.342 -0.387 -10.281) 10.552 5.027 ( 1.533 2.780 -2.280) 3.909 7.211 ( -0.321 -1.324 4.376) 4.583 7.692 ( 1.963 -0.012 1.756) 2.634 7.819 ( -2.969 1.199 -1.517) 3.543 7.924 ( -0.205 -1.585 -1.040) 1.907 8.223 ( 2.118 6.830 1.943) 7.410 8.465 ( 4.676 2.974 3.489) 6.548 13.362 ( -0.842 3.140 1.424) 3.549 13.618 ( 6.214 -0.731 2.398) 6.701 16.008 ( -2.925 -1.603 4.396) 5.518 16.043 ( 2.855 -3.423 1.173) 4.609 17.061 ( -8.032 -8.453 -25.604) 28.134 17.403 ( -3.604 -1.861 -1.985) 4.516 ======================= Grid point 351 (77/116) ======================= q-point: ( 0.30 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -0.214 -1.087 -1.451) 1.826 0.790 ( -1.504 -2.361 0.400) 2.827 0.905 ( 1.753 -2.770 5.884) 6.735 1.241 ( 1.494 3.094 -0.619) 3.491 1.295 ( -1.434 2.133 1.722) 3.093 1.647 ( -0.085 0.840 -5.771) 5.833 1.996 ( 0.352 7.140 1.823) 7.377 2.194 ( -0.057 1.533 10.877) 10.985 2.332 ( 3.289 -2.125 1.423) 4.166 2.373 ( -1.744 9.939 4.354) 10.990 2.527 ( 3.028 1.647 4.537) 5.698 2.939 ( 1.687 -3.969 -5.822) 7.245 3.970 ( -1.450 3.967 -10.092) 10.940 4.172 ( 1.495 -1.969 -10.410) 10.700 5.072 ( 0.998 1.700 -2.268) 3.005 7.196 ( -0.215 -0.704 4.990) 5.044 7.725 ( 0.590 1.693 1.404) 2.277 7.784 ( -1.718 0.584 -2.317) 2.943 7.909 ( 0.981 -2.871 -0.554) 3.084 8.313 ( 0.469 6.630 3.224) 7.387 8.544 ( 2.990 -0.622 4.460) 5.405 13.382 ( -1.280 4.653 1.343) 5.009 13.687 ( 4.573 -4.735 1.894) 6.850 15.835 ( -4.801 -7.934 12.970) 15.944 16.155 ( 0.567 9.046 -8.550) 12.461 16.871 ( -2.946 -8.766 -27.342) 28.863 17.360 ( -0.552 -0.735 -0.792) 1.214 ======================= Grid point 352 (78/116) ======================= q-point: ( 0.40 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 0.035 0.009 -0.677) 0.678 0.753 ( -1.331 -0.270 0.740) 1.546 0.890 ( -0.457 -2.083 4.196) 4.707 1.248 ( -3.374 3.252 0.580) 4.722 1.327 ( 1.720 0.791 1.155) 2.218 1.671 ( 3.504 -2.083 -8.056) 9.028 2.052 ( -2.300 6.146 1.930) 6.840 2.207 ( 0.711 0.850 9.685) 9.748 2.327 ( 0.169 -5.103 3.394) 6.131 2.421 ( -2.759 8.873 5.013) 10.558 2.564 ( -2.034 1.776 2.564) 3.724 2.924 ( 2.914 -6.102 -4.864) 8.330 3.990 ( -1.534 4.603 -10.199) 11.294 4.165 ( 0.551 -2.762 -10.249) 10.629 5.090 ( -0.320 0.603 -2.282) 2.382 7.190 ( 0.025 -0.277 5.267) 5.274 7.724 ( -2.749 2.346 1.335) 3.853 7.794 ( 1.677 0.791 -3.250) 3.741 7.899 ( 1.647 -3.748 0.125) 4.096 8.361 ( -2.035 5.391 3.520) 6.752 8.553 ( 0.305 -2.858 5.038) 5.800 13.407 ( -1.752 5.211 1.316) 5.653 13.676 ( 1.094 -6.706 1.886) 7.051 15.749 ( 2.026 -3.258 13.150) 13.698 16.191 ( -8.360 11.197 -9.679) 16.998 16.822 ( 7.510 -8.976 -26.558) 29.022 17.358 ( 0.959 -0.725 -1.333) 1.796 ======================= Grid point 354 (79/116) ======================= q-point: (-0.50 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 0.105 0.476 -1.040) 1.148 0.771 ( 2.335 2.244 1.228) 3.463 0.860 ( -1.817 1.028 3.809) 4.344 1.218 ( -2.560 1.331 1.317) 3.172 1.340 ( 0.302 -1.391 1.329) 1.947 1.697 ( 1.712 -3.540 -6.532) 7.625 2.025 ( -4.902 1.100 2.588) 5.651 2.226 ( -0.496 -0.634 10.480) 10.511 2.265 ( -2.453 -0.006 1.843) 3.068 2.445 ( -5.170 5.027 1.592) 7.384 2.486 ( -3.627 -2.647 6.541) 7.934 2.925 ( 1.906 -2.409 -6.066) 6.799 3.996 ( -1.565 1.483 -10.388) 10.609 4.149 ( -0.072 -0.696 -10.005) 10.030 5.072 ( -1.934 -0.071 -2.295) 3.002 7.193 ( 0.500 0.127 4.996) 5.023 7.701 ( -2.118 1.908 1.337) 3.148 7.826 ( 1.155 -0.435 -3.284) 3.508 7.897 ( 1.994 -2.181 0.353) 2.976 8.335 ( -5.281 1.481 2.758) 6.139 8.515 ( -2.168 -0.837 5.002) 5.515 13.411 ( -2.533 2.047 0.990) 3.404 13.624 ( -1.071 -1.846 2.511) 3.295 15.839 ( 9.593 -0.091 13.712) 16.735 16.118 ( -9.483 6.659 -8.026) 14.095 16.916 ( 10.453 -5.100 -27.800) 30.135 17.374 ( 2.027 -1.231 -1.603) 2.862 ======================= Grid point 362 (80/116) ======================= q-point: ( 0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 0.180 0.708 -0.586) 0.936 0.762 ( -0.155 -1.361 0.177) 1.381 0.864 ( -0.242 -1.044 6.646) 6.732 1.299 ( 3.177 2.240 0.366) 3.904 1.325 ( -1.373 0.819 1.051) 1.913 1.631 ( -1.765 -1.717 -9.566) 9.878 2.130 ( 2.899 5.729 2.183) 6.781 2.217 ( -1.590 0.864 10.706) 10.858 2.257 ( -0.012 -4.408 1.867) 4.787 2.500 ( -0.008 1.125 7.911) 7.991 2.625 ( 5.117 8.479 -1.396) 10.001 2.832 ( -3.395 -6.380 -3.763) 8.148 4.048 ( 1.303 3.418 -10.227) 10.861 4.126 ( -0.769 -2.457 -10.206) 10.525 5.096 ( 0.360 0.637 -2.252) 2.368 7.187 ( -0.086 -0.212 5.443) 5.448 7.764 ( 2.787 2.098 0.124) 3.491 7.800 ( -2.204 0.818 -2.462) 3.404 7.845 ( -0.786 -3.172 0.603) 3.323 8.428 ( 1.864 4.485 4.001) 6.293 8.513 ( -0.469 -2.187 4.782) 5.279 13.480 ( 1.506 4.516 1.479) 4.985 13.592 ( -0.884 -4.159 2.096) 4.740 15.716 ( -2.027 -3.427 13.072) 13.665 16.363 ( 7.482 10.879 -14.584) 19.673 16.672 ( -7.450 -10.603 -22.837) 26.257 17.348 ( -0.346 -0.376 -0.936) 1.067 ======================= Grid point 436 (81/116) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 0.000 0.000 7.747) 7.747 0.932 ( 0.000 -0.000 7.747) 7.747 1.093 ( 0.000 0.000 0.549) 0.549 1.218 ( 0.000 0.000 -4.269) 4.269 1.218 ( 0.000 -0.000 -4.269) 4.269 1.684 ( 0.000 0.000 9.284) 9.284 1.822 ( 0.000 -0.000 5.296) 5.296 1.822 ( 0.000 0.000 5.296) 5.296 1.976 ( 0.000 0.000 -0.190) 0.190 1.976 ( -0.000 0.000 -0.190) 0.190 2.208 ( 0.000 -0.000 4.132) 4.132 3.098 ( 0.000 -0.000 -1.418) 1.418 3.839 ( 0.000 -0.000 -6.968) 6.968 3.839 ( 0.000 -0.000 -6.968) 6.968 4.810 ( 0.000 0.000 -1.634) 1.634 7.533 ( 0.000 -0.000 3.033) 3.033 7.740 ( 0.000 0.000 1.600) 1.600 7.740 ( 0.000 -0.000 1.600) 1.600 7.901 ( 0.000 -0.000 -0.905) 0.905 7.901 ( 0.000 -0.000 -0.905) 0.905 7.969 ( 0.000 0.000 -3.827) 3.827 13.413 ( 0.000 0.000 2.390) 2.390 13.413 ( 0.000 0.000 2.390) 2.390 15.839 ( 0.000 -0.000 -3.426) 3.426 15.839 ( 0.000 0.000 -3.426) 3.426 17.423 ( 0.000 -0.000 1.658) 1.658 18.093 ( 0.000 0.000 -5.659) 5.659 ======================= Grid point 437 (82/116) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -3.760 -2.171 5.829) 7.268 0.986 ( 1.977 1.141 6.541) 6.928 1.091 ( 0.766 0.442 2.354) 2.515 1.173 ( -1.064 -0.614 -2.692) 2.959 1.286 ( 1.712 0.989 -3.482) 4.004 1.640 ( -2.737 -1.580 7.087) 7.760 1.802 ( -0.177 -0.102 5.682) 5.686 1.930 ( 7.262 4.193 4.655) 9.591 2.003 ( 2.189 1.264 0.466) 2.571 2.065 ( 7.197 4.155 0.233) 8.314 2.244 ( 3.100 1.790 3.887) 5.284 3.042 ( -4.586 -2.648 -1.832) 5.604 3.814 ( -1.455 -0.840 -6.339) 6.558 3.873 ( 2.208 1.275 -7.548) 7.967 4.831 ( 1.762 1.017 -1.590) 2.582 7.452 ( -5.096 -2.942 2.757) 6.498 7.747 ( 0.029 0.017 1.033) 1.034 7.758 ( 1.792 1.034 1.966) 2.854 7.901 ( 0.407 0.235 -0.551) 0.724 7.961 ( 0.980 0.566 -2.901) 3.114 8.051 ( 9.378 5.414 -1.255) 10.901 13.388 ( -1.353 -0.781 2.726) 3.142 13.467 ( 4.083 2.358 1.388) 4.915 15.856 ( 0.765 0.442 -3.727) 3.830 15.885 ( 4.394 2.537 -3.712) 6.286 17.412 ( -1.067 -0.616 1.938) 2.297 17.921 ( -14.583 -8.419 -5.573) 17.737 ======================= Grid point 438 (83/116) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -2.832 -1.635 3.330) 4.668 0.996 ( -1.330 -0.768 0.549) 1.631 1.110 ( -0.077 -0.044 3.634) 3.635 1.190 ( 2.636 1.522 3.221) 4.432 1.265 ( -3.070 -1.772 -2.417) 4.290 1.591 ( -1.436 -0.829 4.569) 4.861 1.818 ( 1.590 0.918 5.544) 5.840 2.065 ( 3.057 1.765 1.442) 3.813 2.120 ( 8.749 5.051 4.673) 11.131 2.267 ( 9.672 5.584 1.541) 11.274 2.343 ( 5.347 3.087 2.998) 6.864 2.919 ( -5.421 -3.130 -3.490) 7.167 3.774 ( -1.990 -1.149 -5.949) 6.377 3.931 ( 2.710 1.565 -7.857) 8.457 4.885 ( 2.913 1.682 -1.494) 3.680 7.353 ( -3.266 -1.885 2.533) 4.542 7.741 ( -0.569 -0.328 0.607) 0.894 7.786 ( 0.051 0.029 0.909) 0.911 7.918 ( 1.019 0.589 -0.259) 1.205 8.012 ( 4.039 2.332 -1.195) 4.814 8.287 ( 10.571 6.103 -0.361) 12.212 13.356 ( -1.351 -0.780 2.503) 2.950 13.588 ( 6.281 3.626 -0.259) 7.257 15.870 ( 0.410 0.236 -3.385) 3.418 16.012 ( 6.196 3.577 -4.654) 8.535 17.339 ( -9.753 -5.631 2.238) 11.482 17.515 ( -15.416 -8.900 -5.551) 18.646 ======================= Grid point 439 (84/116) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 0.185 0.107 0.886) 0.912 0.943 ( -2.971 -1.715 -2.194) 4.072 1.040 ( -6.125 -3.536 0.126) 7.074 1.199 ( -2.115 -1.221 0.356) 2.468 1.269 ( 3.797 2.192 5.224) 6.820 1.580 ( 0.531 0.307 2.456) 2.531 1.869 ( 2.774 1.602 4.868) 5.827 2.133 ( 2.844 1.642 2.434) 4.088 2.300 ( 6.677 3.855 6.488) 10.077 2.451 ( 5.497 3.174 4.042) 7.526 2.471 ( 5.575 3.219 2.094) 6.769 2.841 ( -0.557 -0.322 -6.739) 6.769 3.728 ( -1.957 -1.130 -5.993) 6.405 3.988 ( 2.164 1.249 -7.850) 8.238 4.954 ( 2.972 1.716 -1.421) 3.714 7.302 ( -1.390 -0.803 2.344) 2.841 7.724 ( -0.858 -0.495 0.541) 1.129 7.767 ( -1.310 -0.756 -0.571) 1.617 7.943 ( 1.136 0.656 -0.211) 1.329 8.128 ( 5.497 3.174 1.079) 6.439 8.506 ( 8.325 4.806 0.673) 9.636 13.331 ( -0.843 -0.487 1.892) 2.128 13.732 ( 5.961 3.441 -1.403) 7.024 15.874 ( -0.098 -0.057 -2.604) 2.607 16.138 ( 4.157 2.400 -3.809) 6.128 16.882 ( -22.143 -12.784 -5.040) 26.061 17.388 ( -2.014 -1.163 -0.417) 2.363 ======================= Grid point 440 (85/116) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 0.570 0.329 0.348) 0.744 0.873 ( -2.994 -1.729 -1.976) 3.982 0.880 ( -6.911 -3.990 -2.681) 8.419 1.167 ( -0.409 -0.236 0.361) 0.594 1.348 ( 2.990 1.726 4.264) 5.486 1.610 ( 1.871 1.080 0.276) 2.179 1.934 ( 2.649 1.529 3.823) 4.896 2.188 ( 1.875 1.082 2.867) 3.593 2.406 ( 2.649 1.530 8.526) 9.058 2.519 ( 1.363 0.787 3.805) 4.117 2.576 ( 3.316 1.914 1.877) 4.264 2.881 ( 2.583 1.491 -7.055) 7.659 3.693 ( -0.866 -0.500 -6.583) 6.658 4.024 ( 0.859 0.496 -7.476) 7.542 5.011 ( 1.867 1.078 -1.405) 2.573 7.282 ( -0.547 -0.316 2.378) 2.460 7.705 ( -0.792 -0.457 0.763) 1.191 7.741 ( -0.708 -0.409 -1.479) 1.690 7.966 ( 0.804 0.464 -0.330) 0.985 8.238 ( 3.836 2.215 2.210) 4.950 8.650 ( 4.110 2.373 1.804) 5.077 13.319 ( -0.164 -0.095 1.191) 1.206 13.836 ( 2.670 1.541 -0.906) 3.213 15.867 ( -0.436 -0.252 -1.731) 1.803 16.150 ( -3.869 -2.234 3.449) 5.644 16.520 ( -7.462 -4.308 -14.460) 16.833 17.356 ( -0.814 -0.470 -0.384) 1.015 ======================= Grid point 441 (86/116) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -2.366 -1.366 -0.189) 2.738 0.776 ( -1.325 -0.765 -0.505) 1.611 0.815 ( -1.898 -1.096 -0.457) 2.239 1.187 ( 1.796 1.037 -1.321) 2.459 1.399 ( 1.449 0.837 2.652) 3.136 1.654 ( 1.870 1.079 -2.071) 2.992 1.981 ( 1.422 0.821 2.701) 3.161 2.213 ( 0.169 0.098 2.689) 2.696 2.446 ( 1.292 0.746 6.974) 7.132 2.523 ( -0.960 -0.554 5.532) 5.642 2.610 ( -0.466 -0.269 2.198) 2.263 2.905 ( -1.020 -0.589 -6.265) 6.375 3.694 ( 0.990 0.572 -7.463) 7.550 4.025 ( -0.696 -0.402 -6.825) 6.872 5.033 ( 0.017 0.010 -1.429) 1.429 7.274 ( -0.240 -0.139 2.555) 2.570 7.690 ( -0.443 -0.256 1.153) 1.261 7.740 ( 0.604 0.349 -2.193) 2.301 7.978 ( 0.207 0.120 -0.518) 0.570 8.290 ( 0.494 0.285 2.256) 2.327 8.686 ( -0.972 -0.561 2.848) 3.061 13.323 ( 0.486 0.281 0.630) 0.844 13.836 ( -2.725 -1.573 1.180) 3.360 15.856 ( -0.524 -0.302 -1.072) 1.231 16.085 ( 1.340 0.773 7.120) 7.286 16.473 ( 0.551 0.318 -19.880) 19.890 17.353 ( 0.488 0.282 -0.992) 1.141 ======================= Grid point 443 (87/116) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 0.479 0.276 1.269) 1.384 0.791 ( -0.191 -0.110 1.674) 1.689 0.795 ( 3.614 2.087 0.753) 4.241 1.221 ( 0.677 0.391 -0.278) 0.830 1.413 ( -0.233 -0.135 0.999) 1.034 1.688 ( 0.925 0.534 -3.632) 3.786 1.995 ( -0.157 -0.091 1.951) 1.959 2.193 ( -1.914 -1.105 2.055) 3.018 2.408 ( -5.413 -3.125 5.319) 8.207 2.535 ( 2.407 1.390 8.279) 8.733 2.560 ( -3.705 -2.139 2.563) 4.987 2.831 ( -4.898 -2.828 -7.341) 9.267 3.734 ( 2.253 1.301 -8.115) 8.522 3.994 ( -1.978 -1.142 -6.157) 6.567 5.012 ( -1.847 -1.066 -1.459) 2.584 7.273 ( 0.238 0.137 2.696) 2.710 7.686 ( 0.035 0.020 1.586) 1.586 7.767 ( 1.721 0.994 -2.672) 3.330 7.975 ( -0.424 -0.245 -0.719) 0.870 8.257 ( -3.366 -1.944 1.440) 4.145 8.611 ( -5.377 -3.105 3.474) 7.115 13.341 ( 1.041 0.601 0.336) 1.248 13.732 ( -5.786 -3.341 3.183) 7.400 15.844 ( -0.487 -0.281 -0.807) 0.984 16.208 ( 6.094 3.518 8.804) 11.271 16.533 ( 7.268 4.196 -21.945) 23.495 17.376 ( 1.497 0.864 -1.574) 2.338 ======================= Grid point 444 (88/116) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 2.758 1.592 0.839) 3.293 0.804 ( 1.168 0.674 3.816) 4.048 0.932 ( 7.518 4.340 3.458) 9.344 1.213 ( -1.053 -0.608 1.124) 1.656 1.391 ( -1.652 -0.954 -0.655) 2.017 1.688 ( -1.021 -0.590 -2.144) 2.447 1.975 ( -1.571 -0.907 2.165) 2.825 2.131 ( -3.322 -1.918 0.911) 3.943 2.240 ( -8.791 -5.076 5.973) 11.778 2.455 ( -5.200 -3.002 2.944) 6.687 2.515 ( -6.844 -3.951 6.326) 10.123 2.779 ( 2.914 1.682 -6.748) 7.541 3.787 ( 2.222 1.283 -8.329) 8.715 3.941 ( -2.598 -1.500 -5.761) 6.496 4.955 ( -2.981 -1.721 -1.484) 3.748 7.290 ( 1.437 0.830 2.781) 3.239 7.691 ( 0.463 0.267 1.930) 2.002 7.811 ( 1.978 1.142 -2.796) 3.610 7.960 ( -0.881 -0.509 -0.901) 1.359 8.145 ( -6.119 -3.533 0.524) 7.085 8.454 ( -8.205 -4.737 2.975) 9.931 13.369 ( 1.353 0.781 0.394) 1.612 13.601 ( -5.361 -3.095 3.910) 7.321 15.834 ( -0.403 -0.233 -1.015) 1.116 16.220 ( -4.120 -2.378 -3.192) 5.728 16.885 ( 21.295 12.294 -7.951) 25.842 17.419 ( 2.381 1.375 -2.493) 3.712 ======================= Grid point 445 (89/116) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 1.757 1.014 5.612) 5.968 0.849 ( 4.477 2.585 0.920) 5.251 1.071 ( 2.853 1.647 6.537) 7.320 1.205 ( 1.271 0.734 -0.770) 1.658 1.342 ( -2.550 -1.473 -2.302) 3.738 1.644 ( -2.257 -1.303 2.182) 3.399 1.927 ( -2.577 -1.488 3.539) 4.624 2.036 ( -8.589 -4.959 5.781) 11.480 2.055 ( -3.096 -1.788 -0.588) 3.623 2.290 ( -10.959 -6.327 2.275) 12.857 2.337 ( -4.938 -2.851 3.498) 6.689 2.907 ( 6.666 3.849 -3.002) 8.262 3.828 ( 1.320 0.762 -8.142) 8.284 3.883 ( -2.313 -1.335 -5.806) 6.390 4.886 ( -2.933 -1.693 -1.526) 3.714 7.345 ( 3.538 2.043 2.825) 4.967 7.705 ( 0.735 0.424 2.079) 2.245 7.841 ( -0.009 -0.005 -1.840) 1.840 7.937 ( -1.040 -0.601 -1.033) 1.584 8.007 ( -5.030 -2.904 -0.630) 5.843 8.250 ( -9.573 -5.527 1.284) 11.128 13.398 ( 1.156 0.668 0.859) 1.588 13.496 ( -3.802 -2.195 3.533) 5.636 15.827 ( -0.176 -0.102 -1.676) 1.689 16.079 ( -7.430 -4.290 -6.302) 10.645 17.321 ( 10.817 6.245 2.346) 12.709 17.549 ( 13.518 7.805 -7.276) 17.222 ======================= Grid point 446 (90/116) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 2.032 1.173 6.966) 7.350 0.945 ( 2.739 1.582 3.653) 4.832 1.075 ( -0.339 -0.196 4.693) 4.709 1.221 ( -1.145 -0.661 -3.158) 3.423 1.280 ( -2.838 -1.639 -3.682) 4.929 1.638 ( 2.217 1.280 6.952) 7.408 1.868 ( -2.445 -1.412 4.691) 5.475 1.874 ( -5.297 -3.058 5.683) 8.349 1.998 ( -1.869 -1.079 -0.899) 2.337 2.070 ( -7.639 -4.410 1.174) 8.898 2.244 ( -3.030 -1.749 3.981) 5.299 3.042 ( 4.669 2.696 -1.798) 5.683 3.843 ( -1.079 -0.623 -6.279) 6.402 3.845 ( 0.206 0.119 -7.637) 7.641 4.831 ( -1.771 -1.022 -1.595) 2.593 7.449 ( 5.314 3.068 2.832) 6.758 7.723 ( 0.807 0.466 1.975) 2.184 7.790 ( -3.436 -1.984 0.774) 4.042 7.915 ( -0.868 -0.501 -1.062) 1.461 7.952 ( -0.793 -0.458 -2.492) 2.655 8.038 ( -8.233 -4.753 -0.882) 9.547 13.416 ( 0.356 0.206 1.636) 1.687 13.430 ( -2.003 -1.156 2.880) 3.694 15.828 ( 0.260 0.150 -2.610) 2.627 15.918 ( -5.964 -3.443 -4.898) 8.451 17.411 ( 1.211 0.699 2.001) 2.441 17.924 ( 14.119 8.152 -5.860) 17.324 ======================= Grid point 448 (91/116) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -3.399 -3.310 3.949) 6.173 0.955 ( 3.091 -3.620 2.564) 5.407 1.092 ( 1.043 -0.252 6.352) 6.442 1.210 ( -0.870 1.004 -1.145) 1.754 1.299 ( -1.758 1.217 -2.591) 3.360 1.612 ( -1.527 0.281 4.634) 4.887 1.855 ( -2.244 4.631 5.285) 7.376 2.016 ( 5.868 4.384 2.481) 7.733 2.072 ( 4.341 5.442 1.663) 7.157 2.193 ( 3.754 8.116 2.370) 9.251 2.320 ( 3.642 6.112 2.984) 7.715 2.949 ( -3.322 -6.286 -2.664) 7.593 3.807 ( -2.339 -0.035 -6.508) 6.915 3.896 ( 2.762 1.130 -7.366) 7.947 4.868 ( 1.554 2.717 -1.532) 3.485 7.372 ( -2.075 -4.187 2.711) 5.402 7.729 ( 1.359 -1.037 1.886) 2.546 7.804 ( -1.816 2.059 -0.216) 2.754 7.917 ( -0.330 0.500 -1.061) 1.219 7.997 ( 2.553 4.186 -1.294) 5.071 8.204 ( 6.957 9.200 0.009) 11.534 13.384 ( -1.940 0.120 2.257) 2.979 13.513 ( 5.250 2.394 1.356) 5.927 15.849 ( 2.149 -0.016 -2.608) 3.380 16.003 ( 1.325 7.602 -5.444) 9.443 17.373 ( -2.340 -4.914 2.739) 6.093 17.634 ( -11.469 -17.999 -6.558) 22.327 ======================= Grid point 449 (92/116) ======================= q-point: ( 0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -0.601 -2.003 1.273) 2.448 0.938 ( -0.692 -4.215 -0.499) 4.301 1.083 ( -0.625 -2.944 4.983) 5.821 1.219 ( 0.053 -0.560 0.394) 0.686 1.269 ( -2.078 3.342 0.544) 3.973 1.591 ( -1.566 0.903 2.490) 3.077 1.883 ( -0.288 5.194 5.088) 7.277 2.139 ( 2.789 5.624 0.855) 6.336 2.222 ( 6.295 4.926 4.509) 9.177 2.333 ( 6.147 2.180 4.537) 7.945 2.473 ( 4.567 8.347 2.408) 9.815 2.842 ( -1.945 -4.149 -5.030) 6.805 3.766 ( -2.579 0.314 -6.199) 6.722 3.954 ( 2.787 0.725 -7.647) 8.171 4.930 ( 2.332 2.751 -1.457) 3.890 7.313 ( -1.255 -1.904 2.502) 3.385 7.736 ( 0.146 -0.358 1.338) 1.393 7.780 ( -1.837 -0.255 -0.930) 2.075 7.922 ( 0.906 -0.339 -0.672) 1.177 8.108 ( 3.394 6.895 0.533) 7.704 8.415 ( 8.104 6.418 0.660) 10.359 13.358 ( -1.718 0.903 2.000) 2.788 13.640 ( 6.924 1.550 -0.170) 7.098 15.885 ( 0.875 1.559 -2.883) 3.393 16.101 ( 2.731 4.433 -4.567) 6.926 17.063 ( -17.170 -20.078 -3.338) 26.629 17.414 ( -2.925 -2.317 -1.493) 4.019 ======================= Grid point 450 (93/116) ======================= q-point: ( 0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 1.487 -1.245 -0.775) 2.089 0.861 ( -2.570 -4.731 -0.856) 5.452 1.013 ( -5.213 0.012 -0.040) 5.214 1.188 ( -2.023 0.248 0.670) 2.145 1.311 ( 2.519 1.685 3.658) 4.751 1.585 ( 0.681 -0.285 0.216) 0.769 1.940 ( 0.600 5.298 4.418) 6.925 2.222 ( -0.344 7.247 2.166) 7.572 2.359 ( 4.922 2.006 6.707) 8.558 2.428 ( 5.194 -2.076 2.966) 6.331 2.593 ( 1.338 5.374 4.275) 6.996 2.833 ( 3.129 -0.538 -7.195) 7.864 3.731 ( -2.416 1.573 -6.353) 6.977 3.999 ( 2.064 -0.195 -7.583) 7.861 4.993 ( 2.003 2.095 -1.425) 3.230 7.287 ( -0.504 -0.652 2.439) 2.575 7.729 ( -1.239 0.921 0.884) 1.779 7.746 ( -1.030 -1.089 -1.367) 2.029 7.938 ( 1.665 -1.075 -0.288) 2.003 8.230 ( 2.625 6.631 1.792) 7.353 8.586 ( 6.085 3.024 1.508) 6.960 13.344 ( -1.457 1.917 1.442) 2.807 13.760 ( 6.072 -0.681 -0.775) 6.159 15.904 ( -1.400 3.202 -2.731) 4.436 16.154 ( 0.456 -1.562 0.122) 1.631 16.611 ( -12.703 -13.367 -10.128) 21.038 17.366 ( -1.266 -1.094 -0.313) 1.702 ======================= Grid point 451 (94/116) ======================= q-point: ( 0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 0.800 -2.400 -0.659) 2.614 0.780 ( -2.716 -1.994 -0.272) 3.380 0.925 ( -6.451 2.864 -0.705) 7.093 1.181 ( 0.301 1.750 -0.783) 1.941 1.365 ( 2.642 -0.109 2.992) 3.993 1.606 ( 2.824 -1.808 -1.767) 3.790 1.997 ( 0.003 4.813 3.331) 5.853 2.267 ( -2.424 6.290 2.828) 7.310 2.415 ( 1.873 -0.492 6.788) 7.059 2.485 ( 3.415 -2.490 2.608) 4.966 2.637 ( -0.651 2.727 4.344) 5.170 2.882 ( 2.338 -1.559 -6.106) 6.722 3.720 ( -1.529 3.090 -6.972) 7.777 4.017 ( 0.781 -1.190 -7.144) 7.284 5.032 ( 0.665 1.009 -1.438) 1.878 7.277 ( -0.292 -0.146 2.582) 2.602 7.711 ( -1.588 0.772 0.325) 1.795 7.735 ( 0.216 0.151 -1.325) 1.351 7.952 ( 1.535 -1.728 -0.204) 2.320 8.313 ( 0.106 5.078 2.279) 5.567 8.670 ( 2.142 -0.386 2.416) 3.252 13.345 ( -1.167 2.774 0.845) 3.126 13.813 ( 2.220 -3.729 0.265) 4.348 15.902 ( -2.620 3.559 -1.943) 4.828 16.076 ( -2.366 -4.430 5.688) 7.587 16.443 ( 0.497 -3.930 -17.522) 17.964 17.347 ( -0.028 -0.502 -0.618) 0.797 ======================= Grid point 452 (95/116) ======================= q-point: (-0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -1.322 -1.192 -0.165) 1.787 0.756 ( 2.238 1.184 0.681) 2.622 0.861 ( -4.436 3.618 1.269) 5.864 1.215 ( 0.925 1.635 -0.732) 2.016 1.394 ( 1.452 -1.261 1.600) 2.502 1.639 ( 3.400 -2.546 -3.709) 5.639 2.027 ( -1.494 3.675 2.468) 4.672 2.260 ( -4.115 3.758 2.692) 6.189 2.424 ( -0.354 -2.807 3.969) 4.874 2.490 ( 0.985 -1.791 5.368) 5.744 2.627 ( -2.710 1.648 4.962) 5.889 2.861 ( -1.830 -3.531 -6.077) 7.262 3.738 ( -0.204 3.440 -7.687) 8.424 4.003 ( -0.617 -1.776 -6.521) 6.786 5.033 ( -1.178 -0.065 -1.463) 1.879 7.273 ( -0.123 0.095 2.713) 2.718 7.698 ( -0.855 0.813 0.889) 1.477 7.752 ( 1.050 1.012 -2.092) 2.550 7.955 ( 1.024 -2.288 -0.256) 2.520 8.324 ( -3.572 2.953 1.788) 4.967 8.652 ( -2.407 -2.675 3.220) 4.828 13.357 ( -0.846 3.081 0.347) 3.214 13.763 ( -2.378 -5.213 2.204) 6.139 15.891 ( -2.854 3.567 -1.747) 4.891 16.099 ( 7.475 0.322 8.295) 11.171 16.454 ( 3.870 -1.963 -20.925) 21.370 17.355 ( 1.259 -0.061 -1.092) 1.667 ======================= Grid point 453 (96/116) ======================= q-point: (-0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 1.067 -0.857 -0.071) 1.371 0.832 ( 2.187 1.715 0.676) 2.860 0.874 ( 2.424 6.752 4.653) 8.551 1.227 ( -0.640 0.142 0.856) 1.078 1.388 ( -0.116 -2.348 0.287) 2.369 1.663 ( 2.053 -2.773 -3.558) 4.956 2.015 ( -2.924 1.377 2.677) 4.197 2.202 ( -5.499 1.335 1.376) 5.824 2.333 ( -5.845 -3.055 4.618) 8.051 2.469 ( -1.889 -4.424 4.778) 6.780 2.600 ( -3.165 1.962 7.136) 8.049 2.776 ( -2.546 -1.897 -8.262) 8.851 3.773 ( 0.889 2.050 -8.005) 8.311 3.966 ( -1.742 -1.378 -6.115) 6.506 4.994 ( -2.803 -0.707 -1.473) 3.245 7.278 ( 0.590 0.386 2.735) 2.825 7.698 ( -0.260 1.150 1.567) 1.961 7.787 ( 1.768 0.763 -2.647) 3.273 7.943 ( 0.480 -2.527 -0.373) 2.599 8.251 ( -7.021 0.825 0.862) 7.122 8.546 ( -6.429 -2.897 3.262) 7.769 13.374 ( -0.370 2.233 0.218) 2.274 13.658 ( -4.345 -3.177 3.305) 6.316 15.874 ( -2.743 2.915 -1.651) 4.330 16.215 ( 2.651 -2.392 3.294) 4.858 16.620 ( 17.519 3.989 -15.321) 23.613 17.385 ( 2.175 -0.011 -1.466) 2.623 ======================= Grid point 454 (97/116) ======================= q-point: (-0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 3.536 -0.994 1.456) 3.951 0.883 ( 1.321 4.185 1.909) 4.786 1.020 ( 5.680 4.431 5.664) 9.164 1.209 ( -0.974 0.247 0.873) 1.331 1.347 ( -1.111 -3.433 -1.185) 3.798 1.646 ( -0.428 -3.193 0.054) 3.222 1.952 ( -3.614 -2.751 4.239) 6.213 2.109 ( -6.148 0.590 0.088) 6.177 2.195 ( -8.414 0.783 4.244) 9.456 2.351 ( -5.466 -5.385 4.816) 9.059 2.479 ( -10.154 -0.632 2.726) 10.533 2.820 ( 5.877 1.890 -4.547) 7.667 3.801 ( 1.295 -0.538 -7.507) 7.637 3.924 ( -2.354 0.390 -6.457) 6.884 4.931 ( -3.552 -0.679 -1.486) 3.910 7.307 ( 2.264 0.714 2.723) 3.612 7.710 ( 0.092 1.546 1.950) 2.490 7.817 ( 1.542 -1.082 -2.297) 2.971 7.926 ( 0.126 -1.692 -0.719) 1.843 8.118 ( -8.206 -0.223 0.187) 8.212 8.386 ( -9.604 -1.357 1.927) 9.889 13.385 ( 0.295 -0.092 0.986) 1.033 13.569 ( -4.648 0.923 2.667) 5.438 15.857 ( -2.068 2.107 -1.830) 3.473 16.148 ( -5.015 -4.085 -5.045) 8.203 17.061 ( 25.105 4.934 -3.932) 25.886 17.432 ( 4.111 -0.184 -2.795) 4.975 ======================= Grid point 459 (98/116) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 0.304 -0.928 -0.976) 1.380 0.855 ( -1.431 -3.834 0.175) 4.096 1.004 ( 3.269 -4.265 4.936) 7.297 1.222 ( -0.578 0.749 1.058) 1.420 1.330 ( -2.000 2.527 0.454) 3.254 1.602 ( -3.157 -0.397 -1.961) 3.738 2.001 ( 0.015 6.191 4.707) 7.777 2.249 ( 6.628 4.216 -0.120) 7.856 2.316 ( 2.525 4.847 2.698) 6.095 2.384 ( -0.942 3.482 6.947) 7.827 2.613 ( 2.382 4.952 5.453) 7.741 2.779 ( 1.461 -1.483 -7.107) 7.405 3.782 ( -1.126 1.146 -6.936) 7.120 3.962 ( 1.623 0.232 -7.023) 7.212 4.986 ( 1.568 2.752 -1.462) 3.489 7.285 ( -0.193 -0.875 2.634) 2.783 7.724 ( 0.976 -0.737 1.073) 1.627 7.781 ( -1.895 0.104 -1.745) 2.578 7.911 ( -0.243 -0.549 -0.262) 0.655 8.256 ( 3.365 7.550 1.173) 8.349 8.527 ( 4.412 4.816 2.187) 6.888 13.388 ( -0.457 2.017 1.003) 2.299 13.656 ( 4.392 0.442 1.225) 4.581 15.928 ( 3.100 2.616 -3.183) 5.156 16.155 ( -2.481 0.242 0.188) 2.500 16.661 ( -11.105 -18.655 -10.324) 24.040 17.378 ( -1.580 -1.568 -0.780) 2.358 ======================= Grid point 460 (99/116) ======================= q-point: ( 0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 0.557 -0.633 -1.192) 1.460 0.799 ( -1.574 -1.924 0.229) 2.496 1.012 ( -0.506 -0.299 3.605) 3.653 1.216 ( -1.137 2.661 -1.119) 3.103 1.334 ( 0.282 0.737 1.812) 1.976 1.549 ( -0.254 -3.665 -3.486) 5.065 2.066 ( -0.441 7.152 4.145) 8.279 2.369 ( 4.511 -1.630 2.719) 5.514 2.379 ( -2.217 1.774 6.572) 7.159 2.408 ( 2.241 6.871 -0.605) 7.253 2.667 ( 0.404 2.258 6.620) 7.006 2.811 ( 2.877 -2.042 -6.076) 7.026 3.786 ( -1.379 3.694 -6.799) 7.860 3.981 ( 1.361 -1.601 -7.174) 7.476 5.031 ( 0.996 1.657 -1.478) 2.434 7.279 ( -0.071 -0.187 2.756) 2.763 7.724 ( 0.005 -0.739 -1.668) 1.825 7.761 ( -1.496 1.930 0.571) 2.508 7.906 ( 1.091 -2.089 0.082) 2.358 8.369 ( 1.126 7.187 2.084) 7.568 8.618 ( 3.160 0.148 2.390) 3.965 13.406 ( -1.201 4.280 0.904) 4.537 13.713 ( 3.856 -3.841 0.516) 5.467 15.990 ( -1.664 4.904 -3.281) 6.131 16.065 ( -2.387 -6.407 5.039) 8.493 16.402 ( -3.243 -7.836 -16.047) 18.150 17.346 ( -0.687 -0.936 -0.488) 1.260 ======================= Grid point 461 (100/116) ======================= q-point: ( 0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 0.604 0.474 0.173) 0.787 0.759 ( -1.229 -0.379 -0.089) 1.289 0.976 ( -4.072 2.199 3.767) 5.967 1.237 ( -0.992 3.650 -1.824) 4.199 1.351 ( 1.817 -0.887 1.254) 2.379 1.535 ( 3.854 -5.217 -4.567) 7.932 2.113 ( -2.348 6.563 3.201) 7.670 2.347 ( -1.934 -0.777 5.295) 5.691 2.400 ( 1.765 -2.471 3.193) 4.407 2.485 ( -1.383 6.054 -0.145) 6.212 2.676 ( -1.314 1.282 6.608) 6.858 2.819 ( 1.954 -4.576 -4.695) 6.841 3.800 ( -1.933 4.538 -7.143) 8.680 3.979 ( 0.906 -2.569 -6.868) 7.389 5.048 ( -0.329 0.583 -1.503) 1.646 7.277 ( -0.140 0.057 2.903) 2.907 7.716 ( -0.373 -0.084 -2.000) 2.036 7.764 ( -0.806 2.455 0.542) 2.640 7.905 ( 1.611 -2.895 0.297) 3.326 8.423 ( -2.648 5.599 2.174) 6.564 8.637 ( 0.834 -2.763 2.828) 4.041 13.426 ( -2.185 5.137 0.516) 5.607 13.709 ( 1.764 -6.176 1.193) 6.533 15.960 ( 0.638 -0.504 5.093) 5.157 16.037 ( -2.235 3.216 -3.329) 5.140 16.353 ( 3.663 -5.194 -16.590) 17.766 17.337 ( 0.465 -0.441 -0.664) 0.923 ======================= Grid point 463 (101/116) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -0.813 -0.380 -0.994) 1.339 0.790 ( 2.676 1.364 0.609) 3.065 0.950 ( -2.266 5.032 4.335) 7.018 1.238 ( -0.862 0.206 0.325) 0.944 1.361 ( 0.418 -1.768 0.645) 1.928 1.571 ( 4.785 -3.498 -5.013) 7.763 2.098 ( -4.689 2.000 3.664) 6.278 2.304 ( -2.981 0.781 2.296) 3.843 2.383 ( -2.001 -0.405 4.066) 4.549 2.468 ( -3.442 -1.190 1.849) 4.084 2.659 ( -1.836 1.332 7.417) 7.756 2.793 ( -0.826 -2.216 -6.189) 6.626 3.801 ( -1.770 1.941 -7.430) 7.881 3.968 ( 0.126 -1.115 -6.596) 6.690 5.031 ( -1.923 -0.050 -1.493) 2.435 7.276 ( 0.042 0.191 2.835) 2.842 7.714 ( -0.171 0.703 -0.394) 0.824 7.777 ( 0.074 0.948 -1.021) 1.395 7.905 ( 1.300 -2.046 0.266) 2.439 8.381 ( -6.428 1.857 1.546) 6.867 8.602 ( -2.368 -1.504 3.101) 4.182 13.423 ( -2.612 2.312 0.189) 3.493 13.673 ( -0.386 -2.356 2.102) 3.181 15.976 ( -4.332 4.293 -3.737) 7.153 16.083 ( 8.433 -2.014 7.813) 11.671 16.411 ( 8.360 -1.859 -18.728) 20.593 17.351 ( 1.476 -0.320 -0.769) 1.695 ======================= Grid point 471 (102/116) ======================= q-point: ( 0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 0.561 1.582 -0.126) 1.683 0.765 ( -0.538 -1.703 0.087) 1.788 1.009 ( 1.017 0.198 7.031) 7.107 1.288 ( 2.620 4.229 -2.015) 5.368 1.343 ( -1.022 0.090 0.664) 1.222 1.450 ( -3.165 -5.345 -6.706) 9.141 2.201 ( 2.214 5.771 3.997) 7.361 2.317 ( 0.372 -2.978 3.223) 4.404 2.362 ( -1.517 -1.154 4.070) 4.494 2.585 ( 3.323 7.672 -1.903) 8.574 2.690 ( 0.983 0.335 7.883) 7.951 2.747 ( -2.291 -4.180 -3.933) 6.180 3.860 ( 1.550 3.365 -7.017) 7.935 3.939 ( -1.001 -2.364 -6.919) 7.380 5.054 ( 0.357 0.622 -1.533) 1.692 7.278 ( 0.042 0.021 3.044) 3.044 7.715 ( -0.021 -0.189 -2.594) 2.601 7.802 ( 0.913 1.985 0.821) 2.334 7.862 ( -1.121 -2.134 0.658) 2.498 8.495 ( 2.510 5.023 2.317) 6.074 8.594 ( -0.877 -2.273 2.742) 3.668 13.501 ( 2.050 4.701 0.579) 5.162 13.625 ( -1.558 -4.338 1.028) 4.723 15.938 ( -2.363 -3.789 7.678) 8.882 16.112 ( 3.723 5.728 -8.590) 10.975 16.273 ( -3.703 -5.693 -14.186) 15.728 17.332 ( -0.298 -0.418 -0.581) 0.776 ======================= Grid point 545 (103/116) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 0.000 -0.000 0.000) 0.000 1.039 ( -0.000 0.000 0.000) 0.000 1.099 ( 0.000 -0.000 0.000) 0.000 1.147 ( 0.000 -0.000 0.000) 0.000 1.147 ( 0.000 0.000 0.000) 0.000 1.784 ( 0.000 -0.000 0.000) 0.000 1.900 ( 0.000 0.000 0.000) 0.000 1.900 ( 0.000 -0.000 0.000) 0.000 1.955 ( 0.000 0.000 0.000) 0.000 1.955 ( 0.000 0.000 0.000) 0.000 2.253 ( 0.000 0.000 0.000) 0.000 3.081 ( 0.000 -0.000 0.000) 0.000 3.761 ( 0.000 -0.000 0.000) 0.000 3.761 ( 0.000 0.000 0.000) 0.000 4.792 ( 0.000 0.000 0.000) 0.000 7.575 ( -0.000 -0.000 0.000) 0.000 7.757 ( 0.000 0.000 0.000) 0.000 7.757 ( -0.000 0.000 0.000) 0.000 7.890 ( 0.000 0.000 0.000) 0.000 7.890 ( 0.000 -0.000 0.000) 0.000 7.918 ( 0.000 -0.000 0.000) 0.000 13.439 ( 0.000 0.000 0.000) 0.000 13.439 ( -0.000 0.000 0.000) 0.000 15.801 ( 0.000 0.000 0.000) 0.000 15.801 ( 0.000 -0.000 0.000) 0.000 17.444 ( 0.000 0.000 0.000) 0.000 18.029 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 547 (104/116) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -5.269 -3.042 2.299) 6.504 1.004 ( -2.413 -1.393 -4.228) 5.064 1.140 ( 2.233 1.289 1.763) 3.124 1.194 ( 3.337 1.927 4.134) 5.651 1.202 ( 2.463 1.422 -3.890) 4.818 1.713 ( -4.017 -2.319 -0.127) 4.640 1.905 ( 0.516 0.298 2.929) 2.989 1.971 ( 5.895 3.403 -2.270) 7.175 1.986 ( 2.582 1.490 -1.335) 3.266 2.066 ( 8.075 4.662 0.935) 9.372 2.286 ( 2.849 1.645 0.010) 3.290 3.022 ( -4.951 -2.859 0.001) 5.717 3.752 ( -0.850 -0.491 0.800) 1.266 3.781 ( 1.695 0.979 -0.772) 2.104 4.813 ( 1.803 1.041 0.001) 2.082 7.486 ( -5.439 -3.140 -0.075) 6.281 7.752 ( -0.483 -0.279 -0.636) 0.846 7.788 ( 2.070 1.195 0.867) 2.543 7.899 ( 0.734 0.424 0.391) 0.933 7.924 ( 1.059 0.611 -0.230) 1.244 8.032 ( 9.878 5.703 -0.378) 11.413 13.426 ( -1.049 -0.606 0.737) 1.418 13.472 ( 2.817 1.626 -0.956) 3.391 15.807 ( 0.493 0.285 -0.747) 0.939 15.854 ( 4.368 2.522 0.893) 5.122 17.438 ( -0.546 -0.315 -0.011) 0.631 17.856 ( -14.700 -8.487 0.047) 16.974 ======================= Grid point 549 (105/116) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -4.383 -2.531 1.836) 5.384 0.944 ( -2.785 -1.608 -4.278) 5.352 1.165 ( -3.535 -2.041 0.596) 4.125 1.200 ( 0.304 0.175 -2.951) 2.971 1.277 ( 3.739 2.159 3.933) 5.841 1.653 ( -1.311 -0.757 1.333) 2.017 1.927 ( 1.363 0.787 3.840) 4.150 2.063 ( 3.916 2.261 -1.281) 4.700 2.145 ( 8.967 5.177 -3.226) 10.845 2.291 ( 11.170 6.449 1.490) 12.984 2.375 ( 4.715 2.722 -0.072) 5.445 2.879 ( -7.060 -4.076 -0.296) 8.157 3.722 ( -1.700 -0.981 1.385) 2.402 3.831 ( 2.553 1.474 -1.216) 3.189 4.869 ( 2.962 1.710 0.007) 3.421 7.381 ( -3.541 -2.045 -0.240) 4.096 7.737 ( -0.719 -0.415 -0.907) 1.230 7.804 ( -0.885 -0.511 1.274) 1.633 7.921 ( 1.094 0.632 0.511) 1.363 8.002 ( 5.685 3.282 -0.016) 6.565 8.274 ( 10.765 6.215 -0.936) 12.465 13.396 ( -1.529 -0.883 1.093) 2.076 13.560 ( 4.810 2.777 -2.355) 6.032 15.821 ( 0.648 0.374 -1.123) 1.349 15.980 ( 6.232 3.598 1.993) 7.467 17.400 ( -20.463 -11.814 -3.744) 23.923 17.423 ( -4.592 -2.651 3.926) 6.598 ======================= Grid point 551 (106/116) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -1.622 -0.937 0.456) 1.928 0.881 ( -2.636 -1.522 -3.456) 4.606 1.003 ( -8.621 -4.977 -2.997) 10.395 1.218 ( 0.014 0.008 0.721) 0.721 1.355 ( 3.003 1.734 2.860) 4.495 1.635 ( -0.436 -0.252 2.708) 2.755 1.964 ( 1.764 1.019 3.268) 3.851 2.152 ( 3.639 2.101 -0.609) 4.246 2.349 ( 8.393 4.845 -2.832) 10.096 2.489 ( 5.109 2.950 -0.362) 5.910 2.536 ( 9.270 5.352 4.160) 11.484 2.731 ( -4.988 -2.880 -2.992) 6.490 3.677 ( -2.183 -1.261 1.541) 2.955 3.889 ( 2.387 1.378 -1.188) 3.002 4.939 ( 2.999 1.731 0.012) 3.463 7.325 ( -1.517 -0.876 -0.352) 1.786 7.721 ( -0.697 -0.402 -0.820) 1.149 7.768 ( -1.849 -1.068 1.054) 2.381 7.946 ( 1.033 0.596 0.422) 1.265 8.146 ( 6.373 3.679 0.471) 7.374 8.500 ( 8.808 5.085 -1.290) 10.252 13.362 ( -1.332 -0.769 0.981) 1.824 13.681 ( 5.571 3.216 -3.404) 7.278 15.834 ( 0.475 0.274 -1.026) 1.163 16.115 ( 5.326 3.075 3.100) 6.887 16.837 ( -24.510 -14.151 -0.634) 28.309 17.388 ( -1.519 -0.877 0.598) 1.853 ======================= Grid point 553 (107/116) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 0.605 0.349 -1.243) 1.426 0.822 ( -6.418 -3.705 -2.141) 7.714 0.831 ( -1.682 -0.971 -2.001) 2.789 1.194 ( -1.741 -1.005 1.821) 2.712 1.409 ( 1.636 0.945 1.495) 2.409 1.633 ( 0.207 0.120 1.753) 1.769 1.999 ( 1.238 0.715 1.802) 2.300 2.219 ( 2.115 1.221 -0.081) 2.443 2.504 ( 4.902 2.830 -1.953) 5.987 2.590 ( -2.427 -1.401 4.128) 4.989 2.591 ( 3.480 2.009 -0.440) 4.042 2.760 ( 5.163 2.981 -3.022) 6.684 3.631 ( -1.677 -0.968 1.069) 2.212 3.934 ( 1.412 0.815 -0.728) 1.786 4.996 ( 1.865 1.077 0.010) 2.153 7.305 ( -0.424 -0.245 -0.269) 0.559 7.708 ( -0.433 -0.250 -0.479) 0.692 7.731 ( -1.277 -0.738 0.632) 1.605 7.965 ( 0.620 0.358 0.231) 0.753 8.268 ( 3.978 2.297 0.467) 4.617 8.659 ( 4.952 2.859 -0.977) 5.801 13.338 ( -0.730 -0.421 0.553) 1.008 13.798 ( 4.306 2.486 -2.751) 5.683 15.842 ( 0.211 0.122 -0.589) 0.637 16.201 ( 1.094 0.632 5.557) 5.699 16.371 ( -14.154 -8.172 -3.512) 16.717 17.356 ( -1.131 -0.653 0.421) 1.372 ======================= Grid point 555 (108/116) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 0.000 0.000 0.000) 0.000 0.777 ( 0.000 0.000 0.000) 0.000 0.811 ( 0.000 0.000 0.000) 0.000 1.168 ( 0.000 0.000 0.000) 0.000 1.427 ( 0.000 0.000 0.000) 0.000 1.637 ( 0.000 0.000 0.000) 0.000 2.014 ( -0.000 -0.000 0.000) 0.000 2.243 ( 0.000 0.000 0.000) 0.000 2.557 ( 0.000 0.000 0.000) 0.000 2.562 ( 0.000 0.000 0.000) 0.000 2.633 ( 0.000 0.000 -0.000) 0.000 2.824 ( 0.000 0.000 0.000) 0.000 3.610 ( 0.000 0.000 0.000) 0.000 3.950 ( 0.000 0.000 0.000) 0.000 5.018 ( 0.000 0.000 0.000) 0.000 7.301 ( 0.000 0.000 0.000) 0.000 7.703 ( 0.000 0.000 0.000) 0.000 7.716 ( 0.000 0.000 0.000) 0.000 7.972 ( 0.000 0.000 0.000) 0.000 8.315 ( 0.000 0.000 0.000) 0.000 8.716 ( 0.000 0.000 0.000) 0.000 13.330 ( 0.000 0.000 0.000) 0.000 13.852 ( 0.000 0.000 0.000) 0.000 15.844 ( 0.000 0.000 0.000) 0.000 16.137 ( 0.000 0.000 0.000) 0.000 16.277 ( 0.000 0.000 0.000) 0.000 17.343 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 569 (109/116) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -3.217 -5.572 0.000) 6.434 0.974 ( -1.329 -2.302 0.000) 2.658 1.177 ( 1.374 2.380 0.000) 2.748 1.214 ( -1.096 -1.899 0.000) 2.192 1.242 ( 1.655 2.867 -0.000) 3.311 1.661 ( -1.225 -2.122 0.000) 2.450 1.940 ( 1.266 2.194 0.000) 2.533 2.006 ( 2.286 3.960 0.000) 4.573 2.115 ( 4.358 7.548 0.000) 8.716 2.213 ( 5.837 10.110 0.000) 11.674 2.349 ( 2.630 4.556 0.000) 5.261 2.922 ( -3.908 -6.769 0.000) 7.817 3.736 ( -0.653 -1.131 0.000) 1.306 3.813 ( 1.243 2.153 0.000) 2.486 4.852 ( 1.588 2.751 0.000) 3.177 7.404 ( -2.413 -4.180 0.000) 4.826 7.753 ( -0.036 -0.063 0.000) 0.073 7.794 ( -0.241 -0.417 0.000) 0.481 7.904 ( 0.132 0.229 0.000) 0.265 7.986 ( 3.180 5.508 0.000) 6.361 8.204 ( 6.104 10.572 0.000) 12.207 13.410 ( -0.594 -1.029 0.000) 1.189 13.527 ( 2.222 3.848 0.000) 4.443 15.823 ( 0.669 1.159 0.000) 1.338 15.937 ( 3.220 5.577 0.000) 6.439 17.425 ( -0.583 -1.010 0.000) 1.167 17.544 ( -12.821 -22.207 0.000) 25.643 ======================= Grid point 571 (110/116) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -1.607 -4.198 0.190) 4.499 0.915 ( -2.703 -2.144 -1.407) 3.726 1.112 ( -6.944 -2.844 -2.287) 7.845 1.218 ( 0.745 1.223 -0.016) 1.432 1.309 ( 3.526 1.168 2.396) 4.420 1.630 ( -0.599 -1.760 1.378) 2.314 1.980 ( -0.009 4.227 2.825) 5.085 2.119 ( 5.027 4.269 -1.843) 6.848 2.261 ( 5.475 5.205 -0.997) 7.620 2.438 ( 8.909 8.220 1.342) 12.196 2.454 ( 3.725 4.878 -0.305) 6.145 2.783 ( -4.728 -4.870 -0.693) 6.823 3.707 ( -1.724 -0.470 0.933) 2.016 3.861 ( 2.117 1.388 -0.775) 2.648 4.914 ( 2.370 2.760 0.006) 3.638 7.340 ( -1.592 -1.837 -0.177) 2.437 7.743 ( -1.424 0.695 -1.046) 1.899 7.776 ( -0.513 -1.903 1.250) 2.334 7.917 ( 1.436 -0.512 0.140) 1.531 8.118 ( 4.223 7.454 0.287) 8.572 8.415 ( 7.580 7.532 -0.710) 10.710 13.388 ( -1.389 0.144 0.729) 1.575 13.618 ( 4.398 2.856 -1.858) 5.563 15.847 ( 0.117 2.164 -0.752) 2.293 16.056 ( 4.782 3.771 1.608) 6.298 17.037 ( -19.233 -22.274 -0.261) 29.429 17.399 ( -1.081 -1.352 0.349) 1.766 ======================= Grid point 573 (111/116) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 0.879 -2.484 -0.773) 2.746 0.846 ( -2.770 -2.609 -0.667) 3.863 0.965 ( -8.068 1.321 -3.767) 9.002 1.220 ( -1.408 0.190 1.466) 2.042 1.372 ( 2.981 0.029 1.887) 3.529 1.605 ( 0.693 -3.113 1.775) 3.650 2.021 ( -0.493 4.581 2.405) 5.197 2.232 ( 1.821 6.114 -1.054) 6.466 2.400 ( 7.151 0.468 -1.407) 7.304 2.534 ( 1.686 -0.081 2.314) 2.864 2.633 ( 4.188 4.773 2.412) 6.793 2.712 ( 0.988 1.373 -4.207) 4.534 3.672 ( -2.503 0.933 1.109) 2.892 3.907 ( 2.138 0.278 -0.830) 2.310 4.978 ( 2.023 2.071 0.009) 2.895 7.311 ( -0.626 -0.458 -0.247) 0.814 7.722 ( -1.258 -0.157 -0.815) 1.507 7.748 ( -1.212 -0.267 1.004) 1.597 7.937 ( 1.780 -1.142 0.158) 2.120 8.255 ( 3.125 6.798 0.529) 7.501 8.592 ( 6.217 3.841 -0.994) 7.375 13.368 ( -1.774 1.474 0.766) 2.431 13.723 ( 5.507 0.808 -2.668) 6.172 15.866 ( -0.835 2.862 -0.803) 3.088 16.159 ( 4.035 1.079 3.247) 5.290 16.520 ( -16.814 -16.996 -1.222) 23.939 17.366 ( -1.115 -1.283 0.391) 1.744 ======================= Grid point 575 (112/116) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 1.740 -0.875 -0.385) 1.986 0.771 ( -2.977 -1.640 -0.655) 3.461 0.896 ( -4.325 5.437 -1.831) 7.185 1.187 ( -1.892 0.277 1.329) 2.329 1.406 ( 1.669 -1.193 0.686) 2.163 1.596 ( 2.201 -3.958 0.665) 4.577 2.048 ( -1.497 4.089 0.893) 4.445 2.294 ( -1.729 6.290 -0.283) 6.530 2.490 ( 4.158 -3.368 -1.394) 5.529 2.530 ( 1.357 -2.443 2.068) 3.477 2.684 ( -1.176 4.176 -0.102) 4.339 2.795 ( 3.382 0.269 -0.984) 3.532 3.647 ( -2.326 2.586 0.492) 3.513 3.934 ( 1.322 -0.792 -0.342) 1.579 5.017 ( 0.672 0.967 0.004) 1.177 7.303 ( -0.211 0.113 -0.117) 0.267 7.703 ( -0.351 -0.566 -0.138) 0.680 7.733 ( -1.160 1.252 0.221) 1.721 7.951 ( 1.364 -1.602 0.064) 2.106 8.341 ( -0.083 4.869 0.278) 4.877 8.691 ( 2.890 0.237 -0.477) 2.938 13.358 ( -1.709 2.418 0.312) 2.977 13.803 ( 4.002 -2.127 -1.322) 4.721 15.875 ( -1.539 3.090 -0.330) 3.468 16.152 ( -4.422 -5.361 3.892) 7.965 16.250 ( 0.653 -3.726 -2.877) 4.752 17.342 ( -0.375 -0.724 0.182) 0.836 ======================= Grid point 591 (113/116) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -0.859 -1.489 0.000) 1.719 0.857 ( -1.897 -3.286 0.000) 3.794 1.059 ( -1.427 -2.471 0.000) 2.853 1.234 ( 0.102 0.176 0.000) 0.204 1.335 ( 0.933 1.617 0.000) 1.867 1.578 ( -1.999 -3.462 0.000) 3.997 2.068 ( 2.413 4.180 0.000) 4.826 2.231 ( 3.837 6.645 0.000) 7.673 2.345 ( 2.065 3.577 0.000) 4.131 2.522 ( 0.558 0.967 0.000) 1.117 2.596 ( 4.208 7.289 0.000) 8.417 2.724 ( -0.217 -0.376 -0.000) 0.434 3.705 ( 0.143 0.248 0.000) 0.286 3.884 ( 0.557 0.965 0.000) 1.114 4.970 ( 1.579 2.735 0.000) 3.158 7.314 ( -0.423 -0.732 0.000) 0.845 7.734 ( -1.042 -1.805 0.000) 2.084 7.761 ( 0.357 0.619 0.000) 0.715 7.909 ( -0.131 -0.228 0.000) 0.263 8.269 ( 4.321 7.485 0.000) 8.643 8.551 ( 3.436 5.951 0.000) 6.871 13.400 ( 0.556 0.962 0.000) 1.111 13.669 ( 1.345 2.330 0.000) 2.691 15.896 ( 1.483 2.568 0.000) 2.965 16.120 ( 1.529 2.648 0.000) 3.058 16.583 ( -13.001 -22.518 -0.000) 26.001 17.369 ( -0.922 -1.597 0.000) 1.844 ======================= Grid point 593 (114/116) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 1.166 0.456 -0.088) 1.255 0.799 ( -2.031 -1.943 -0.219) 2.819 1.025 ( -3.303 4.366 -2.238) 5.914 1.223 ( -1.426 0.034 1.455) 2.037 1.363 ( 1.449 -0.732 0.708) 1.771 1.511 ( 0.493 -6.177 0.320) 6.204 2.132 ( -1.193 6.404 1.175) 6.620 2.355 ( 4.806 2.685 -2.669) 6.118 2.407 ( 0.983 3.545 0.661) 3.738 2.502 ( -1.147 -2.157 2.084) 3.211 2.706 ( 3.064 1.766 -0.686) 3.603 2.750 ( 1.178 1.966 -0.419) 2.330 3.714 ( -1.210 3.164 0.409) 3.412 3.898 ( 1.204 -1.159 -0.327) 1.703 5.015 ( 1.000 1.611 0.003) 1.896 7.308 ( -0.123 0.072 -0.073) 0.160 7.703 ( -0.684 -1.155 -0.072) 1.344 7.770 ( -0.804 1.923 0.159) 2.090 7.907 ( 1.092 -1.816 -0.004) 2.119 8.395 ( 1.584 7.106 0.288) 7.286 8.639 ( 2.926 0.824 -0.403) 3.067 13.420 ( -1.056 3.742 0.426) 3.911 13.707 ( 3.085 -2.439 -1.037) 4.067 15.938 ( -0.668 4.219 -0.466) 4.297 16.153 ( 0.440 -1.948 4.175) 4.628 16.215 ( -6.910 -12.712 -3.299) 14.840 17.342 ( -0.616 -1.124 0.112) 1.286 ======================= Grid point 595 (115/116) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 0.012 -0.021 0.000) 0.024 0.755 ( -0.251 0.436 0.000) 0.503 1.025 ( -4.196 7.267 0.000) 8.392 1.204 ( -0.736 1.275 0.000) 1.472 1.369 ( 1.242 -2.150 0.000) 2.483 1.486 ( 3.875 -6.711 0.000) 7.749 2.153 ( -3.646 6.316 0.000) 7.293 2.427 ( 1.710 -2.963 0.000) 3.421 2.435 ( -2.078 3.598 -0.000) 4.155 2.464 ( 0.079 -0.138 -0.000) 0.159 2.737 ( 0.016 -0.028 0.000) 0.032 2.775 ( 0.537 -0.930 0.000) 1.074 3.720 ( -2.524 4.371 0.000) 5.048 3.903 ( 1.361 -2.358 0.000) 2.722 5.032 ( -0.312 0.540 0.000) 0.623 7.308 ( -0.143 0.248 0.000) 0.287 7.691 ( 0.272 -0.472 0.000) 0.545 7.773 ( -1.460 2.529 0.000) 2.921 7.908 ( 1.490 -2.581 0.000) 2.980 8.446 ( -3.134 5.427 0.000) 6.267 8.667 ( 1.427 -2.471 0.000) 2.854 13.431 ( -2.766 4.791 0.000) 5.532 13.722 ( 3.214 -5.567 0.000) 6.428 15.954 ( -2.640 4.573 0.000) 5.281 16.057 ( 1.998 -3.460 0.000) 3.995 16.178 ( 2.346 -4.063 0.000) 4.692 17.330 ( 0.264 -0.458 0.000) 0.529 ======================= Grid point 615 (116/116) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.00e-05 2.00e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 1.036 1.794 0.000) 2.071 0.766 ( -0.915 -1.585 0.000) 1.830 1.124 ( 2.745 4.754 -0.000) 5.489 1.220 ( -0.122 -0.212 0.000) 0.245 1.351 ( -0.349 -0.604 0.000) 0.698 1.385 ( -3.018 -5.228 0.000) 6.037 2.254 ( 2.953 5.115 0.000) 5.907 2.352 ( -0.068 -0.118 -0.000) 0.137 2.412 ( -2.196 -3.803 0.000) 4.392 2.560 ( 3.448 5.972 0.000) 6.896 2.692 ( -1.532 -2.653 0.000) 3.063 2.782 ( 0.534 0.925 0.000) 1.068 3.782 ( 1.873 3.245 0.000) 3.747 3.863 ( -1.289 -2.232 0.000) 2.577 5.037 ( 0.346 0.599 0.000) 0.691 7.310 ( 0.071 0.122 0.000) 0.141 7.686 ( -0.269 -0.466 0.000) 0.538 7.812 ( 1.154 1.999 0.000) 2.309 7.869 ( -1.099 -1.903 0.000) 2.197 8.520 ( 2.937 5.087 0.000) 5.874 8.623 ( -1.259 -2.180 0.000) 2.518 13.507 ( 2.603 4.509 0.000) 5.207 13.636 ( -2.399 -4.155 0.000) 4.797 16.015 ( 0.483 0.836 0.000) 0.965 16.030 ( -1.198 -2.075 0.000) 2.396 16.115 ( -1.567 -2.715 0.000) 3.135 17.326 ( -0.253 -0.438 0.000) 0.506 =================== 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 3/27000 10.0 13.731 13.731 14.293 -0.000 0.000 -0.000 3/27000 20.0 3.643 3.643 3.827 -0.000 0.000 -0.000 3/27000 30.0 2.110 2.110 2.241 -0.000 0.000 -0.000 3/27000 40.0 1.538 1.538 1.681 -0.000 0.000 -0.000 3/27000 50.0 1.228 1.228 1.385 -0.000 0.000 -0.000 3/27000 60.0 1.030 1.030 1.189 -0.000 0.000 -0.000 3/27000 70.0 0.893 0.893 1.046 -0.000 0.000 -0.000 3/27000 80.0 0.792 0.792 0.936 -0.000 0.000 -0.000 3/27000 90.0 0.715 0.715 0.849 -0.000 0.000 -0.000 3/27000 100.0 0.654 0.654 0.780 -0.000 0.000 -0.000 3/27000 110.0 0.605 0.605 0.723 -0.000 0.000 -0.000 3/27000 120.0 0.564 0.564 0.677 -0.000 0.000 -0.000 3/27000 130.0 0.529 0.529 0.638 -0.000 0.000 -0.000 3/27000 140.0 0.500 0.500 0.605 -0.000 0.000 -0.000 3/27000 150.0 0.474 0.474 0.577 -0.000 0.000 -0.000 3/27000 160.0 0.452 0.452 0.553 -0.000 0.000 -0.000 3/27000 170.0 0.432 0.432 0.532 -0.000 0.000 -0.000 3/27000 180.0 0.414 0.414 0.513 -0.000 0.000 -0.000 3/27000 190.0 0.398 0.398 0.496 -0.000 0.000 -0.000 3/27000 200.0 0.383 0.383 0.481 -0.000 0.000 -0.000 3/27000 210.0 0.369 0.369 0.466 -0.000 0.000 -0.000 3/27000 220.0 0.356 0.356 0.453 -0.000 0.000 -0.000 3/27000 230.0 0.345 0.345 0.441 -0.000 0.000 -0.000 3/27000 240.0 0.334 0.334 0.429 -0.000 0.000 -0.000 3/27000 250.0 0.323 0.323 0.418 -0.000 0.000 -0.000 3/27000 260.0 0.314 0.314 0.408 -0.000 0.000 -0.000 3/27000 270.0 0.305 0.305 0.398 -0.000 0.000 -0.000 3/27000 280.0 0.296 0.296 0.388 -0.000 0.000 -0.000 3/27000 290.0 0.288 0.288 0.379 -0.000 0.000 -0.000 3/27000 300.0 0.280 0.280 0.371 -0.000 0.000 -0.000 3/27000 310.0 0.273 0.273 0.362 -0.000 0.000 -0.000 3/27000 320.0 0.266 0.266 0.354 -0.000 0.000 -0.000 3/27000 330.0 0.259 0.259 0.347 -0.000 0.000 -0.000 3/27000 340.0 0.253 0.253 0.339 -0.000 0.000 -0.000 3/27000 350.0 0.247 0.247 0.332 -0.000 0.000 -0.000 3/27000 360.0 0.241 0.241 0.325 -0.000 0.000 -0.000 3/27000 370.0 0.236 0.236 0.319 -0.000 0.000 -0.000 3/27000 380.0 0.230 0.230 0.312 -0.000 0.000 -0.000 3/27000 390.0 0.225 0.225 0.306 -0.000 0.000 -0.000 3/27000 400.0 0.220 0.220 0.300 -0.000 0.000 -0.000 3/27000 410.0 0.216 0.216 0.294 -0.000 0.000 -0.000 3/27000 420.0 0.211 0.211 0.289 -0.000 0.000 -0.000 3/27000 430.0 0.207 0.207 0.283 -0.000 0.000 -0.000 3/27000 440.0 0.203 0.203 0.278 -0.000 0.000 -0.000 3/27000 450.0 0.199 0.199 0.273 -0.000 0.000 -0.000 3/27000 460.0 0.195 0.195 0.268 -0.000 0.000 -0.000 3/27000 470.0 0.191 0.191 0.264 -0.000 0.000 -0.000 3/27000 480.0 0.188 0.188 0.259 -0.000 0.000 -0.000 3/27000 490.0 0.184 0.184 0.255 -0.000 0.000 -0.000 3/27000 500.0 0.181 0.181 0.250 -0.000 0.000 -0.000 3/27000 510.0 0.178 0.178 0.246 -0.000 0.000 -0.000 3/27000 520.0 0.175 0.175 0.242 -0.000 0.000 -0.000 3/27000 530.0 0.172 0.172 0.238 -0.000 0.000 -0.000 3/27000 540.0 0.169 0.169 0.235 -0.000 0.000 -0.000 3/27000 550.0 0.166 0.166 0.231 -0.000 0.000 -0.000 3/27000 560.0 0.163 0.163 0.227 -0.000 0.000 -0.000 3/27000 570.0 0.161 0.161 0.224 0.000 0.000 -0.000 3/27000 580.0 0.158 0.158 0.220 0.000 0.000 -0.000 3/27000 590.0 0.156 0.156 0.217 0.000 0.000 -0.000 3/27000 600.0 0.153 0.153 0.214 0.000 0.000 -0.000 3/27000 610.0 0.151 0.151 0.211 0.000 0.000 -0.000 3/27000 620.0 0.149 0.149 0.208 0.000 0.000 -0.000 3/27000 630.0 0.146 0.146 0.205 0.000 0.000 -0.000 3/27000 640.0 0.144 0.144 0.202 0.000 0.000 -0.000 3/27000 650.0 0.142 0.142 0.199 0.000 0.000 -0.000 3/27000 660.0 0.140 0.140 0.196 0.000 0.000 -0.000 3/27000 670.0 0.138 0.138 0.194 0.000 0.000 -0.000 3/27000 680.0 0.136 0.136 0.191 0.000 0.000 -0.000 3/27000 690.0 0.134 0.134 0.189 0.000 0.000 -0.000 3/27000 700.0 0.133 0.133 0.186 0.000 0.000 -0.000 3/27000 710.0 0.131 0.131 0.184 0.000 0.000 -0.000 3/27000 720.0 0.129 0.129 0.182 0.000 0.000 -0.000 3/27000 730.0 0.127 0.127 0.179 0.000 0.000 -0.000 3/27000 740.0 0.126 0.126 0.177 0.000 0.000 -0.000 3/27000 750.0 0.124 0.124 0.175 0.000 0.000 -0.000 3/27000 760.0 0.123 0.123 0.173 0.000 0.000 -0.000 3/27000 770.0 0.121 0.121 0.171 0.000 0.000 -0.000 3/27000 780.0 0.120 0.120 0.169 0.000 0.000 -0.000 3/27000 790.0 0.118 0.118 0.167 0.000 0.000 -0.000 3/27000 800.0 0.117 0.117 0.165 0.000 0.000 -0.000 3/27000 810.0 0.115 0.115 0.163 0.000 0.000 -0.000 3/27000 820.0 0.114 0.114 0.161 0.000 0.000 -0.000 3/27000 830.0 0.113 0.113 0.159 0.000 0.000 -0.000 3/27000 840.0 0.111 0.111 0.157 0.000 0.000 -0.000 3/27000 850.0 0.110 0.110 0.156 0.000 0.000 -0.000 3/27000 860.0 0.109 0.109 0.154 0.000 0.000 -0.000 3/27000 870.0 0.108 0.108 0.152 0.000 0.000 -0.000 3/27000 880.0 0.107 0.107 0.151 0.000 0.000 -0.000 3/27000 890.0 0.105 0.105 0.149 0.000 0.000 -0.000 3/27000 900.0 0.104 0.104 0.148 0.000 0.000 -0.000 3/27000 910.0 0.103 0.103 0.146 0.000 0.000 -0.000 3/27000 920.0 0.102 0.102 0.144 0.000 0.000 -0.000 3/27000 930.0 0.101 0.101 0.143 0.000 0.000 -0.000 3/27000 940.0 0.100 0.100 0.142 0.000 0.000 -0.000 3/27000 950.0 0.099 0.099 0.140 0.000 0.000 -0.000 3/27000 960.0 0.098 0.098 0.139 0.000 0.000 -0.000 3/27000 970.0 0.097 0.097 0.137 0.000 0.000 -0.000 3/27000 980.0 0.096 0.096 0.136 0.000 0.000 -0.000 3/27000 990.0 0.095 0.095 0.135 0.000 0.000 -0.000 3/27000 1000.0 0.094 0.094 0.133 0.000 0.000 -0.000 3/27000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:41:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|