----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:49:04]------------------------- 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 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.907297450942585 -3.960447379999999 0.000000000000000 b 3.907297450942585 3.960447379999999 0.000000000000000 c -3.406369421675342 0.000000000000000 4.933194483150591 Atomic positions (fractional): *1 O 0.62416804969439 0.76011294132877 0.21954007595556 15.999 2 O 0.23988705867123 0.37583195030561 0.28045992404444 15.999 3 O 0.76011294132877 0.62416804969439 0.71954007595556 15.999 4 O 0.37583195030561 0.23988705867123 0.78045992404444 15.999 *5 K 0.86948282276312 0.13051717723688 0.75000000000000 39.098 6 K 0.13051717723688 0.86948282276312 0.25000000000000 39.098 *7 Bi 0.60509642598902 0.39490357401098 0.25000000000000 208.980 8 Bi 0.39490357401098 0.60509642598902 0.75000000000000 208.980 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.814594901885171 0.000000000000000 0.000000000000000 b 0.000000000000000 7.920894759999999 0.000000000000000 c -3.406369421675342 0.000000000000000 4.933194483150591 Atomic positions (fractional): *1 O 0.69214049551158 0.06797244581719 0.21954007595556 15.999 > 1 2 O 0.30785950448842 0.06797244581719 0.28045992404444 15.999 > 2 3 O 0.69214049551158 0.93202755418281 0.71954007595556 15.999 > 3 4 O 0.30785950448842 0.93202755418281 0.78045992404444 15.999 > 4 5 O 0.19214049551158 0.56797244581719 0.21954007595556 15.999 > 1 6 O 0.80785950448842 0.56797244581719 0.28045992404444 15.999 > 2 7 O 0.19214049551158 0.43202755418281 0.71954007595556 15.999 > 3 8 O 0.80785950448842 0.43202755418281 0.78045992404444 15.999 > 4 *9 K 0.50000000000000 0.63051717723688 0.75000000000000 39.098 > 5 10 K 0.50000000000000 0.36948282276312 0.25000000000000 39.098 > 6 11 K 0.00000000000000 0.13051717723688 0.75000000000000 39.098 > 5 12 K 0.00000000000000 0.86948282276312 0.25000000000000 39.098 > 6 *13 Bi 0.50000000000000 0.89490357401098 0.25000000000000 208.980 > 7 14 Bi 0.50000000000000 0.10509642598902 0.75000000000000 208.980 > 8 15 Bi 0.00000000000000 0.39490357401098 0.25000000000000 208.980 > 7 16 Bi 0.00000000000000 0.60509642598902 0.75000000000000 208.980 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.629189803770341 0.000000000000000 0.000000000000000 b 0.000000000000000 15.841789519999997 0.000000000000000 c -6.812738843350684 0.000000000000000 9.866388966301182 Atomic positions (fractional): *1 O 0.34607024775579 0.03398622290859 0.10977003797778 15.999 > 1 2 O 0.84607024775579 0.03398622290859 0.10977003797778 15.999 > 1 3 O 0.34607024775579 0.53398622290859 0.10977003797778 15.999 > 1 4 O 0.84607024775579 0.53398622290859 0.10977003797778 15.999 > 1 5 O 0.34607024775579 0.03398622290859 0.60977003797778 15.999 > 1 6 O 0.84607024775579 0.03398622290859 0.60977003797778 15.999 > 1 7 O 0.34607024775579 0.53398622290859 0.60977003797778 15.999 > 1 8 O 0.84607024775579 0.53398622290859 0.60977003797778 15.999 > 1 9 O 0.15392975224421 0.03398622290859 0.14022996202222 15.999 > 2 10 O 0.65392975224421 0.03398622290859 0.14022996202222 15.999 > 2 11 O 0.15392975224421 0.53398622290859 0.14022996202222 15.999 > 2 12 O 0.65392975224421 0.53398622290859 0.14022996202222 15.999 > 2 13 O 0.15392975224421 0.03398622290859 0.64022996202222 15.999 > 2 14 O 0.65392975224421 0.03398622290859 0.64022996202222 15.999 > 2 15 O 0.15392975224421 0.53398622290859 0.64022996202222 15.999 > 2 16 O 0.65392975224421 0.53398622290859 0.64022996202222 15.999 > 2 17 O 0.34607024775579 0.46601377709141 0.35977003797778 15.999 > 3 18 O 0.84607024775579 0.46601377709141 0.35977003797778 15.999 > 3 19 O 0.34607024775579 0.96601377709141 0.35977003797778 15.999 > 3 20 O 0.84607024775579 0.96601377709141 0.35977003797778 15.999 > 3 21 O 0.34607024775579 0.46601377709141 0.85977003797778 15.999 > 3 22 O 0.84607024775579 0.46601377709141 0.85977003797778 15.999 > 3 23 O 0.34607024775579 0.96601377709141 0.85977003797778 15.999 > 3 24 O 0.84607024775579 0.96601377709141 0.85977003797778 15.999 > 3 25 O 0.15392975224421 0.46601377709141 0.39022996202222 15.999 > 4 26 O 0.65392975224421 0.46601377709141 0.39022996202222 15.999 > 4 27 O 0.15392975224421 0.96601377709141 0.39022996202222 15.999 > 4 28 O 0.65392975224421 0.96601377709141 0.39022996202222 15.999 > 4 29 O 0.15392975224421 0.46601377709141 0.89022996202222 15.999 > 4 30 O 0.65392975224421 0.46601377709141 0.89022996202222 15.999 > 4 31 O 0.15392975224421 0.96601377709141 0.89022996202222 15.999 > 4 32 O 0.65392975224421 0.96601377709141 0.89022996202222 15.999 > 4 33 O 0.09607024775579 0.28398622290859 0.10977003797778 15.999 > 1 34 O 0.59607024775579 0.28398622290859 0.10977003797778 15.999 > 1 35 O 0.09607024775579 0.78398622290859 0.10977003797778 15.999 > 1 36 O 0.59607024775579 0.78398622290859 0.10977003797778 15.999 > 1 37 O 0.09607024775579 0.28398622290859 0.60977003797778 15.999 > 1 38 O 0.59607024775579 0.28398622290859 0.60977003797778 15.999 > 1 39 O 0.09607024775579 0.78398622290859 0.60977003797778 15.999 > 1 40 O 0.59607024775579 0.78398622290859 0.60977003797778 15.999 > 1 41 O 0.40392975224421 0.28398622290859 0.14022996202222 15.999 > 2 42 O 0.90392975224421 0.28398622290859 0.14022996202222 15.999 > 2 43 O 0.40392975224421 0.78398622290859 0.14022996202222 15.999 > 2 44 O 0.90392975224421 0.78398622290859 0.14022996202222 15.999 > 2 45 O 0.40392975224421 0.28398622290859 0.64022996202222 15.999 > 2 46 O 0.90392975224421 0.28398622290859 0.64022996202222 15.999 > 2 47 O 0.40392975224421 0.78398622290859 0.64022996202222 15.999 > 2 48 O 0.90392975224421 0.78398622290859 0.64022996202222 15.999 > 2 49 O 0.09607024775579 0.21601377709141 0.35977003797778 15.999 > 3 50 O 0.59607024775579 0.21601377709141 0.35977003797778 15.999 > 3 51 O 0.09607024775579 0.71601377709141 0.35977003797778 15.999 > 3 52 O 0.59607024775579 0.71601377709141 0.35977003797778 15.999 > 3 53 O 0.09607024775579 0.21601377709141 0.85977003797778 15.999 > 3 54 O 0.59607024775579 0.21601377709141 0.85977003797778 15.999 > 3 55 O 0.09607024775579 0.71601377709141 0.85977003797778 15.999 > 3 56 O 0.59607024775579 0.71601377709141 0.85977003797778 15.999 > 3 57 O 0.40392975224421 0.21601377709141 0.39022996202222 15.999 > 4 58 O 0.90392975224421 0.21601377709141 0.39022996202222 15.999 > 4 59 O 0.40392975224421 0.71601377709141 0.39022996202222 15.999 > 4 60 O 0.90392975224421 0.71601377709141 0.39022996202222 15.999 > 4 61 O 0.40392975224421 0.21601377709141 0.89022996202222 15.999 > 4 62 O 0.90392975224421 0.21601377709141 0.89022996202222 15.999 > 4 63 O 0.40392975224421 0.71601377709141 0.89022996202222 15.999 > 4 64 O 0.90392975224421 0.71601377709141 0.89022996202222 15.999 > 4 *65 K 0.25000000000000 0.31525858861844 0.37500000000000 39.098 > 5 66 K 0.75000000000000 0.31525858861844 0.37500000000000 39.098 > 5 67 K 0.25000000000000 0.81525858861844 0.37500000000000 39.098 > 5 68 K 0.75000000000000 0.81525858861844 0.37500000000000 39.098 > 5 69 K 0.25000000000000 0.31525858861844 0.87500000000000 39.098 > 5 70 K 0.75000000000000 0.31525858861844 0.87500000000000 39.098 > 5 71 K 0.25000000000000 0.81525858861844 0.87500000000000 39.098 > 5 72 K 0.75000000000000 0.81525858861844 0.87500000000000 39.098 > 5 73 K 0.25000000000000 0.18474141138156 0.12500000000000 39.098 > 6 74 K 0.75000000000000 0.18474141138156 0.12500000000000 39.098 > 6 75 K 0.25000000000000 0.68474141138156 0.12500000000000 39.098 > 6 76 K 0.75000000000000 0.68474141138156 0.12500000000000 39.098 > 6 77 K 0.25000000000000 0.18474141138156 0.62500000000000 39.098 > 6 78 K 0.75000000000000 0.18474141138156 0.62500000000000 39.098 > 6 79 K 0.25000000000000 0.68474141138156 0.62500000000000 39.098 > 6 80 K 0.75000000000000 0.68474141138156 0.62500000000000 39.098 > 6 81 K 0.00000000000000 0.06525858861844 0.37500000000000 39.098 > 5 82 K 0.50000000000000 0.06525858861844 0.37500000000000 39.098 > 5 83 K 0.00000000000000 0.56525858861844 0.37500000000000 39.098 > 5 84 K 0.50000000000000 0.56525858861844 0.37500000000000 39.098 > 5 85 K 0.00000000000000 0.06525858861844 0.87500000000000 39.098 > 5 86 K 0.50000000000000 0.06525858861844 0.87500000000000 39.098 > 5 87 K 0.00000000000000 0.56525858861844 0.87500000000000 39.098 > 5 88 K 0.50000000000000 0.56525858861844 0.87500000000000 39.098 > 5 89 K 0.00000000000000 0.43474141138156 0.12500000000000 39.098 > 6 90 K 0.50000000000000 0.43474141138156 0.12500000000000 39.098 > 6 91 K 0.00000000000000 0.93474141138156 0.12500000000000 39.098 > 6 92 K 0.50000000000000 0.93474141138156 0.12500000000000 39.098 > 6 93 K 0.00000000000000 0.43474141138156 0.62500000000000 39.098 > 6 94 K 0.50000000000000 0.43474141138156 0.62500000000000 39.098 > 6 95 K 0.00000000000000 0.93474141138156 0.62500000000000 39.098 > 6 96 K 0.50000000000000 0.93474141138156 0.62500000000000 39.098 > 6 *97 Bi 0.25000000000000 0.44745178700549 0.12500000000000 208.980 > 7 98 Bi 0.75000000000000 0.44745178700549 0.12500000000000 208.980 > 7 99 Bi 0.25000000000000 0.94745178700549 0.12500000000000 208.980 > 7 100 Bi 0.75000000000000 0.94745178700549 0.12500000000000 208.980 > 7 101 Bi 0.25000000000000 0.44745178700549 0.62500000000000 208.980 > 7 102 Bi 0.75000000000000 0.44745178700549 0.62500000000000 208.980 > 7 103 Bi 0.25000000000000 0.94745178700549 0.62500000000000 208.980 > 7 104 Bi 0.75000000000000 0.94745178700549 0.62500000000000 208.980 > 7 105 Bi 0.25000000000000 0.05254821299451 0.37500000000000 208.980 > 8 106 Bi 0.75000000000000 0.05254821299451 0.37500000000000 208.980 > 8 107 Bi 0.25000000000000 0.55254821299451 0.37500000000000 208.980 > 8 108 Bi 0.75000000000000 0.55254821299451 0.37500000000000 208.980 > 8 109 Bi 0.25000000000000 0.05254821299451 0.87500000000000 208.980 > 8 110 Bi 0.75000000000000 0.05254821299451 0.87500000000000 208.980 > 8 111 Bi 0.25000000000000 0.55254821299451 0.87500000000000 208.980 > 8 112 Bi 0.75000000000000 0.55254821299451 0.87500000000000 208.980 > 8 113 Bi 0.00000000000000 0.19745178700549 0.12500000000000 208.980 > 7 114 Bi 0.50000000000000 0.19745178700549 0.12500000000000 208.980 > 7 115 Bi 0.00000000000000 0.69745178700549 0.12500000000000 208.980 > 7 116 Bi 0.50000000000000 0.69745178700549 0.12500000000000 208.980 > 7 117 Bi 0.00000000000000 0.19745178700549 0.62500000000000 208.980 > 7 118 Bi 0.50000000000000 0.19745178700549 0.62500000000000 208.980 > 7 119 Bi 0.00000000000000 0.69745178700549 0.62500000000000 208.980 > 7 120 Bi 0.50000000000000 0.69745178700549 0.62500000000000 208.980 > 7 121 Bi 0.00000000000000 0.30254821299451 0.37500000000000 208.980 > 8 122 Bi 0.50000000000000 0.30254821299451 0.37500000000000 208.980 > 8 123 Bi 0.00000000000000 0.80254821299451 0.37500000000000 208.980 > 8 124 Bi 0.50000000000000 0.80254821299451 0.37500000000000 208.980 > 8 125 Bi 0.00000000000000 0.30254821299451 0.87500000000000 208.980 > 8 126 Bi 0.50000000000000 0.30254821299451 0.87500000000000 208.980 > 8 127 Bi 0.00000000000000 0.80254821299451 0.87500000000000 208.980 > 8 128 Bi 0.50000000000000 0.80254821299451 0.87500000000000 208.980 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3560534 0.0000000 -0.6848338 0.0000000 3.9429562 0.0000000 -0.6848338 0.0000000 4.7842330 -------------------------- Born effective charges -------------------------- 1 O -2.1474324 -1.1134158 0.6027632 -0.6137149 -1.6684954 0.1277615 0.6410727 0.7304713 -2.6685235 2 O -2.1474324 1.1134158 0.6027632 0.6137149 -1.6684954 -0.1277615 0.6410727 -0.7304713 -2.6685235 3 O -2.1474324 1.1134158 0.6027632 0.6137149 -1.6684954 -0.1277615 0.6410727 -0.7304713 -2.6685235 4 O -2.1474324 -1.1134158 0.6027632 -0.6137149 -1.6684954 0.1277615 0.6410727 0.7304713 -2.6685235 5 K 1.2462229 0.0000000 0.1380693 0.0000000 1.2370382 0.0000000 0.1338183 0.0000000 1.2655356 6 K 1.2462229 0.0000000 0.1380693 0.0000000 1.2370382 0.0000000 0.1338183 0.0000000 1.2655356 7 Bi 3.0486420 0.0000000 -1.3435956 0.0000000 2.0999526 0.0000000 -1.4159637 0.0000000 4.0715115 8 Bi 3.0486420 0.0000000 -1.3435956 0.0000000 2.0999526 0.0000000 -1.4159637 0.0000000 4.0715115 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 5712/5712 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1256 Number of blocks in projector: 1256 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (1256, 1238), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (240, 238), data: True |-- (240, 238), data: True |-- (272, 267), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 240 - Time: 1.873 Solver_block: 200 / 240 - Time: 1.802 Solver_block: 240 / 240 - Time: 0.780 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.482 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 5712/5712 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1256 Number of blocks in projector: 1256 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (1256, 1238), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (240, 238), data: True |-- (240, 238), data: True |-- (272, 267), 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 2026-01-08 08:49:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:49:20]------------------------- 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 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.907297450942585 -3.960447379999999 0.000000000000000 b 3.907297450942585 3.960447379999999 0.000000000000000 c -3.406369421675342 0.000000000000000 4.933194483150591 Atomic positions (fractional): 1 O 0.62416804969439 0.76011294132877 0.21954007595556 15.999 2 O 0.23988705867123 0.37583195030561 0.28045992404444 15.999 3 O 0.76011294132877 0.62416804969439 0.71954007595556 15.999 4 O 0.37583195030561 0.23988705867123 0.78045992404444 15.999 5 K 0.86948282276312 0.13051717723688 0.75000000000000 39.098 6 K 0.13051717723688 0.86948282276312 0.25000000000000 39.098 7 Bi 0.60509642598902 0.39490357401098 0.25000000000000 208.980 8 Bi 0.39490357401098 0.60509642598902 0.75000000000000 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.629189803770341 0.000000000000000 0.000000000000000 b 0.000000000000000 15.841789519999997 0.000000000000000 c -6.812738843350684 0.000000000000000 9.866388966301182 Atomic positions (fractional): 1 O 0.34607024775579 0.03398622290859 0.10977003797778 15.999 > 1 2 O 0.84607024775579 0.03398622290859 0.10977003797778 15.999 > 1 3 O 0.34607024775579 0.53398622290859 0.10977003797778 15.999 > 1 4 O 0.84607024775579 0.53398622290859 0.10977003797778 15.999 > 1 5 O 0.34607024775579 0.03398622290859 0.60977003797778 15.999 > 1 6 O 0.84607024775579 0.03398622290859 0.60977003797778 15.999 > 1 7 O 0.34607024775579 0.53398622290859 0.60977003797778 15.999 > 1 8 O 0.84607024775579 0.53398622290859 0.60977003797778 15.999 > 1 9 O 0.15392975224421 0.03398622290859 0.14022996202222 15.999 > 9 10 O 0.65392975224421 0.03398622290859 0.14022996202222 15.999 > 9 11 O 0.15392975224421 0.53398622290859 0.14022996202222 15.999 > 9 12 O 0.65392975224421 0.53398622290859 0.14022996202222 15.999 > 9 13 O 0.15392975224421 0.03398622290859 0.64022996202222 15.999 > 9 14 O 0.65392975224421 0.03398622290859 0.64022996202222 15.999 > 9 15 O 0.15392975224421 0.53398622290859 0.64022996202222 15.999 > 9 16 O 0.65392975224421 0.53398622290859 0.64022996202222 15.999 > 9 17 O 0.34607024775579 0.46601377709141 0.35977003797778 15.999 > 17 18 O 0.84607024775579 0.46601377709141 0.35977003797778 15.999 > 17 19 O 0.34607024775579 0.96601377709141 0.35977003797778 15.999 > 17 20 O 0.84607024775579 0.96601377709141 0.35977003797778 15.999 > 17 21 O 0.34607024775579 0.46601377709141 0.85977003797778 15.999 > 17 22 O 0.84607024775579 0.46601377709141 0.85977003797778 15.999 > 17 23 O 0.34607024775579 0.96601377709141 0.85977003797778 15.999 > 17 24 O 0.84607024775579 0.96601377709141 0.85977003797778 15.999 > 17 25 O 0.15392975224421 0.46601377709141 0.39022996202222 15.999 > 25 26 O 0.65392975224421 0.46601377709141 0.39022996202222 15.999 > 25 27 O 0.15392975224421 0.96601377709141 0.39022996202222 15.999 > 25 28 O 0.65392975224421 0.96601377709141 0.39022996202222 15.999 > 25 29 O 0.15392975224421 0.46601377709141 0.89022996202222 15.999 > 25 30 O 0.65392975224421 0.46601377709141 0.89022996202222 15.999 > 25 31 O 0.15392975224421 0.96601377709141 0.89022996202222 15.999 > 25 32 O 0.65392975224421 0.96601377709141 0.89022996202222 15.999 > 25 33 O 0.09607024775579 0.28398622290859 0.10977003797778 15.999 > 1 34 O 0.59607024775579 0.28398622290859 0.10977003797778 15.999 > 1 35 O 0.09607024775579 0.78398622290859 0.10977003797778 15.999 > 1 36 O 0.59607024775579 0.78398622290859 0.10977003797778 15.999 > 1 37 O 0.09607024775579 0.28398622290859 0.60977003797778 15.999 > 1 38 O 0.59607024775579 0.28398622290859 0.60977003797778 15.999 > 1 39 O 0.09607024775579 0.78398622290859 0.60977003797778 15.999 > 1 40 O 0.59607024775579 0.78398622290859 0.60977003797778 15.999 > 1 41 O 0.40392975224421 0.28398622290859 0.14022996202222 15.999 > 9 42 O 0.90392975224421 0.28398622290859 0.14022996202222 15.999 > 9 43 O 0.40392975224421 0.78398622290859 0.14022996202222 15.999 > 9 44 O 0.90392975224421 0.78398622290859 0.14022996202222 15.999 > 9 45 O 0.40392975224421 0.28398622290859 0.64022996202222 15.999 > 9 46 O 0.90392975224421 0.28398622290859 0.64022996202222 15.999 > 9 47 O 0.40392975224421 0.78398622290859 0.64022996202222 15.999 > 9 48 O 0.90392975224421 0.78398622290859 0.64022996202222 15.999 > 9 49 O 0.09607024775579 0.21601377709141 0.35977003797778 15.999 > 17 50 O 0.59607024775579 0.21601377709141 0.35977003797778 15.999 > 17 51 O 0.09607024775579 0.71601377709141 0.35977003797778 15.999 > 17 52 O 0.59607024775579 0.71601377709141 0.35977003797778 15.999 > 17 53 O 0.09607024775579 0.21601377709141 0.85977003797778 15.999 > 17 54 O 0.59607024775579 0.21601377709141 0.85977003797778 15.999 > 17 55 O 0.09607024775579 0.71601377709141 0.85977003797778 15.999 > 17 56 O 0.59607024775579 0.71601377709141 0.85977003797778 15.999 > 17 57 O 0.40392975224421 0.21601377709141 0.39022996202222 15.999 > 25 58 O 0.90392975224421 0.21601377709141 0.39022996202222 15.999 > 25 59 O 0.40392975224421 0.71601377709141 0.39022996202222 15.999 > 25 60 O 0.90392975224421 0.71601377709141 0.39022996202222 15.999 > 25 61 O 0.40392975224421 0.21601377709141 0.89022996202222 15.999 > 25 62 O 0.90392975224421 0.21601377709141 0.89022996202222 15.999 > 25 63 O 0.40392975224421 0.71601377709141 0.89022996202222 15.999 > 25 64 O 0.90392975224421 0.71601377709141 0.89022996202222 15.999 > 25 65 K 0.25000000000000 0.31525858861844 0.37500000000000 39.098 > 65 66 K 0.75000000000000 0.31525858861844 0.37500000000000 39.098 > 65 67 K 0.25000000000000 0.81525858861844 0.37500000000000 39.098 > 65 68 K 0.75000000000000 0.81525858861844 0.37500000000000 39.098 > 65 69 K 0.25000000000000 0.31525858861844 0.87500000000000 39.098 > 65 70 K 0.75000000000000 0.31525858861844 0.87500000000000 39.098 > 65 71 K 0.25000000000000 0.81525858861844 0.87500000000000 39.098 > 65 72 K 0.75000000000000 0.81525858861844 0.87500000000000 39.098 > 65 73 K 0.25000000000000 0.18474141138156 0.12500000000000 39.098 > 73 74 K 0.75000000000000 0.18474141138156 0.12500000000000 39.098 > 73 75 K 0.25000000000000 0.68474141138156 0.12500000000000 39.098 > 73 76 K 0.75000000000000 0.68474141138156 0.12500000000000 39.098 > 73 77 K 0.25000000000000 0.18474141138156 0.62500000000000 39.098 > 73 78 K 0.75000000000000 0.18474141138156 0.62500000000000 39.098 > 73 79 K 0.25000000000000 0.68474141138156 0.62500000000000 39.098 > 73 80 K 0.75000000000000 0.68474141138156 0.62500000000000 39.098 > 73 81 K 0.00000000000000 0.06525858861844 0.37500000000000 39.098 > 65 82 K 0.50000000000000 0.06525858861844 0.37500000000000 39.098 > 65 83 K 0.00000000000000 0.56525858861844 0.37500000000000 39.098 > 65 84 K 0.50000000000000 0.56525858861844 0.37500000000000 39.098 > 65 85 K 0.00000000000000 0.06525858861844 0.87500000000000 39.098 > 65 86 K 0.50000000000000 0.06525858861844 0.87500000000000 39.098 > 65 87 K 0.00000000000000 0.56525858861844 0.87500000000000 39.098 > 65 88 K 0.50000000000000 0.56525858861844 0.87500000000000 39.098 > 65 89 K 0.00000000000000 0.43474141138156 0.12500000000000 39.098 > 73 90 K 0.50000000000000 0.43474141138156 0.12500000000000 39.098 > 73 91 K 0.00000000000000 0.93474141138156 0.12500000000000 39.098 > 73 92 K 0.50000000000000 0.93474141138156 0.12500000000000 39.098 > 73 93 K 0.00000000000000 0.43474141138156 0.62500000000000 39.098 > 73 94 K 0.50000000000000 0.43474141138156 0.62500000000000 39.098 > 73 95 K 0.00000000000000 0.93474141138156 0.62500000000000 39.098 > 73 96 K 0.50000000000000 0.93474141138156 0.62500000000000 39.098 > 73 97 Bi 0.25000000000000 0.44745178700549 0.12500000000000 208.980 > 97 98 Bi 0.75000000000000 0.44745178700549 0.12500000000000 208.980 > 97 99 Bi 0.25000000000000 0.94745178700549 0.12500000000000 208.980 > 97 100 Bi 0.75000000000000 0.94745178700549 0.12500000000000 208.980 > 97 101 Bi 0.25000000000000 0.44745178700549 0.62500000000000 208.980 > 97 102 Bi 0.75000000000000 0.44745178700549 0.62500000000000 208.980 > 97 103 Bi 0.25000000000000 0.94745178700549 0.62500000000000 208.980 > 97 104 Bi 0.75000000000000 0.94745178700549 0.62500000000000 208.980 > 97 105 Bi 0.25000000000000 0.05254821299451 0.37500000000000 208.980 > 105 106 Bi 0.75000000000000 0.05254821299451 0.37500000000000 208.980 > 105 107 Bi 0.25000000000000 0.55254821299451 0.37500000000000 208.980 > 105 108 Bi 0.75000000000000 0.55254821299451 0.37500000000000 208.980 > 105 109 Bi 0.25000000000000 0.05254821299451 0.87500000000000 208.980 > 105 110 Bi 0.75000000000000 0.05254821299451 0.87500000000000 208.980 > 105 111 Bi 0.25000000000000 0.55254821299451 0.87500000000000 208.980 > 105 112 Bi 0.75000000000000 0.55254821299451 0.87500000000000 208.980 > 105 113 Bi 0.00000000000000 0.19745178700549 0.12500000000000 208.980 > 97 114 Bi 0.50000000000000 0.19745178700549 0.12500000000000 208.980 > 97 115 Bi 0.00000000000000 0.69745178700549 0.12500000000000 208.980 > 97 116 Bi 0.50000000000000 0.69745178700549 0.12500000000000 208.980 > 97 117 Bi 0.00000000000000 0.19745178700549 0.62500000000000 208.980 > 97 118 Bi 0.50000000000000 0.19745178700549 0.62500000000000 208.980 > 97 119 Bi 0.00000000000000 0.69745178700549 0.62500000000000 208.980 > 97 120 Bi 0.50000000000000 0.69745178700549 0.62500000000000 208.980 > 97 121 Bi 0.00000000000000 0.30254821299451 0.37500000000000 208.980 > 105 122 Bi 0.50000000000000 0.30254821299451 0.37500000000000 208.980 > 105 123 Bi 0.00000000000000 0.80254821299451 0.37500000000000 208.980 > 105 124 Bi 0.50000000000000 0.80254821299451 0.37500000000000 208.980 > 105 125 Bi 0.00000000000000 0.30254821299451 0.87500000000000 208.980 > 105 126 Bi 0.50000000000000 0.30254821299451 0.87500000000000 208.980 > 105 127 Bi 0.00000000000000 0.80254821299451 0.87500000000000 208.980 > 105 128 Bi 0.50000000000000 0.80254821299451 0.87500000000000 208.980 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3560534 0.0000000 -0.6848338 0.0000000 3.9429562 0.0000000 -0.6848338 0.0000000 4.7842330 -------------------------- Born effective charges -------------------------- 1 O -2.1474324 -1.1134158 0.6027632 -0.6137149 -1.6684954 0.1277615 0.6410727 0.7304713 -2.6685235 2 O -2.1474324 1.1134158 0.6027632 0.6137149 -1.6684954 -0.1277615 0.6410727 -0.7304713 -2.6685235 3 O -2.1474324 1.1134158 0.6027632 0.6137149 -1.6684954 -0.1277615 0.6410727 -0.7304713 -2.6685235 4 O -2.1474324 -1.1134158 0.6027632 -0.6137149 -1.6684954 0.1277615 0.6410727 0.7304713 -2.6685235 5 K 1.2462229 0.0000000 0.1380693 0.0000000 1.2370382 0.0000000 0.1338183 0.0000000 1.2655356 6 K 1.2462229 0.0000000 0.1380693 0.0000000 1.2370382 0.0000000 0.1338183 0.0000000 1.2655356 7 Bi 3.0486420 0.0000000 -1.3435956 0.0000000 2.0999526 0.0000000 -1.4159637 0.0000000 4.0715115 8 Bi 3.0486420 0.0000000 -1.3435956 0.0000000 2.0999526 0.0000000 -1.4159637 0.0000000 4.0715115 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000016 (yyy) 0.00000016 (yyy) 0.00000016 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000005 (xz) -0.00000005 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:49:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:49:35]------------------------- 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 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.907297450942585 -3.960447379999999 0.000000000000000 b 3.907297450942585 3.960447379999999 0.000000000000000 c -3.406369421675342 0.000000000000000 4.933194483150591 Atomic positions (fractional): 1 O 0.62416804969439 0.76011294132877 0.21954007595556 15.999 2 O 0.23988705867123 0.37583195030561 0.28045992404444 15.999 3 O 0.76011294132877 0.62416804969439 0.71954007595556 15.999 4 O 0.37583195030561 0.23988705867123 0.78045992404444 15.999 5 K 0.86948282276312 0.13051717723688 0.75000000000000 39.098 6 K 0.13051717723688 0.86948282276312 0.25000000000000 39.098 7 Bi 0.60509642598902 0.39490357401098 0.25000000000000 208.980 8 Bi 0.39490357401098 0.60509642598902 0.75000000000000 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.629189803770341 0.000000000000000 0.000000000000000 b 0.000000000000000 15.841789519999997 0.000000000000000 c -6.812738843350684 0.000000000000000 9.866388966301182 Atomic positions (fractional): 1 O 0.34607024775579 0.03398622290859 0.10977003797778 15.999 > 1 2 O 0.84607024775579 0.03398622290859 0.10977003797778 15.999 > 1 3 O 0.34607024775579 0.53398622290859 0.10977003797778 15.999 > 1 4 O 0.84607024775579 0.53398622290859 0.10977003797778 15.999 > 1 5 O 0.34607024775579 0.03398622290859 0.60977003797778 15.999 > 1 6 O 0.84607024775579 0.03398622290859 0.60977003797778 15.999 > 1 7 O 0.34607024775579 0.53398622290859 0.60977003797778 15.999 > 1 8 O 0.84607024775579 0.53398622290859 0.60977003797778 15.999 > 1 9 O 0.15392975224421 0.03398622290859 0.14022996202222 15.999 > 9 10 O 0.65392975224421 0.03398622290859 0.14022996202222 15.999 > 9 11 O 0.15392975224421 0.53398622290859 0.14022996202222 15.999 > 9 12 O 0.65392975224421 0.53398622290859 0.14022996202222 15.999 > 9 13 O 0.15392975224421 0.03398622290859 0.64022996202222 15.999 > 9 14 O 0.65392975224421 0.03398622290859 0.64022996202222 15.999 > 9 15 O 0.15392975224421 0.53398622290859 0.64022996202222 15.999 > 9 16 O 0.65392975224421 0.53398622290859 0.64022996202222 15.999 > 9 17 O 0.34607024775579 0.46601377709141 0.35977003797778 15.999 > 17 18 O 0.84607024775579 0.46601377709141 0.35977003797778 15.999 > 17 19 O 0.34607024775579 0.96601377709141 0.35977003797778 15.999 > 17 20 O 0.84607024775579 0.96601377709141 0.35977003797778 15.999 > 17 21 O 0.34607024775579 0.46601377709141 0.85977003797778 15.999 > 17 22 O 0.84607024775579 0.46601377709141 0.85977003797778 15.999 > 17 23 O 0.34607024775579 0.96601377709141 0.85977003797778 15.999 > 17 24 O 0.84607024775579 0.96601377709141 0.85977003797778 15.999 > 17 25 O 0.15392975224421 0.46601377709141 0.39022996202222 15.999 > 25 26 O 0.65392975224421 0.46601377709141 0.39022996202222 15.999 > 25 27 O 0.15392975224421 0.96601377709141 0.39022996202222 15.999 > 25 28 O 0.65392975224421 0.96601377709141 0.39022996202222 15.999 > 25 29 O 0.15392975224421 0.46601377709141 0.89022996202222 15.999 > 25 30 O 0.65392975224421 0.46601377709141 0.89022996202222 15.999 > 25 31 O 0.15392975224421 0.96601377709141 0.89022996202222 15.999 > 25 32 O 0.65392975224421 0.96601377709141 0.89022996202222 15.999 > 25 33 O 0.09607024775579 0.28398622290859 0.10977003797778 15.999 > 1 34 O 0.59607024775579 0.28398622290859 0.10977003797778 15.999 > 1 35 O 0.09607024775579 0.78398622290859 0.10977003797778 15.999 > 1 36 O 0.59607024775579 0.78398622290859 0.10977003797778 15.999 > 1 37 O 0.09607024775579 0.28398622290859 0.60977003797778 15.999 > 1 38 O 0.59607024775579 0.28398622290859 0.60977003797778 15.999 > 1 39 O 0.09607024775579 0.78398622290859 0.60977003797778 15.999 > 1 40 O 0.59607024775579 0.78398622290859 0.60977003797778 15.999 > 1 41 O 0.40392975224421 0.28398622290859 0.14022996202222 15.999 > 9 42 O 0.90392975224421 0.28398622290859 0.14022996202222 15.999 > 9 43 O 0.40392975224421 0.78398622290859 0.14022996202222 15.999 > 9 44 O 0.90392975224421 0.78398622290859 0.14022996202222 15.999 > 9 45 O 0.40392975224421 0.28398622290859 0.64022996202222 15.999 > 9 46 O 0.90392975224421 0.28398622290859 0.64022996202222 15.999 > 9 47 O 0.40392975224421 0.78398622290859 0.64022996202222 15.999 > 9 48 O 0.90392975224421 0.78398622290859 0.64022996202222 15.999 > 9 49 O 0.09607024775579 0.21601377709141 0.35977003797778 15.999 > 17 50 O 0.59607024775579 0.21601377709141 0.35977003797778 15.999 > 17 51 O 0.09607024775579 0.71601377709141 0.35977003797778 15.999 > 17 52 O 0.59607024775579 0.71601377709141 0.35977003797778 15.999 > 17 53 O 0.09607024775579 0.21601377709141 0.85977003797778 15.999 > 17 54 O 0.59607024775579 0.21601377709141 0.85977003797778 15.999 > 17 55 O 0.09607024775579 0.71601377709141 0.85977003797778 15.999 > 17 56 O 0.59607024775579 0.71601377709141 0.85977003797778 15.999 > 17 57 O 0.40392975224421 0.21601377709141 0.39022996202222 15.999 > 25 58 O 0.90392975224421 0.21601377709141 0.39022996202222 15.999 > 25 59 O 0.40392975224421 0.71601377709141 0.39022996202222 15.999 > 25 60 O 0.90392975224421 0.71601377709141 0.39022996202222 15.999 > 25 61 O 0.40392975224421 0.21601377709141 0.89022996202222 15.999 > 25 62 O 0.90392975224421 0.21601377709141 0.89022996202222 15.999 > 25 63 O 0.40392975224421 0.71601377709141 0.89022996202222 15.999 > 25 64 O 0.90392975224421 0.71601377709141 0.89022996202222 15.999 > 25 65 K 0.25000000000000 0.31525858861844 0.37500000000000 39.098 > 65 66 K 0.75000000000000 0.31525858861844 0.37500000000000 39.098 > 65 67 K 0.25000000000000 0.81525858861844 0.37500000000000 39.098 > 65 68 K 0.75000000000000 0.81525858861844 0.37500000000000 39.098 > 65 69 K 0.25000000000000 0.31525858861844 0.87500000000000 39.098 > 65 70 K 0.75000000000000 0.31525858861844 0.87500000000000 39.098 > 65 71 K 0.25000000000000 0.81525858861844 0.87500000000000 39.098 > 65 72 K 0.75000000000000 0.81525858861844 0.87500000000000 39.098 > 65 73 K 0.25000000000000 0.18474141138156 0.12500000000000 39.098 > 73 74 K 0.75000000000000 0.18474141138156 0.12500000000000 39.098 > 73 75 K 0.25000000000000 0.68474141138156 0.12500000000000 39.098 > 73 76 K 0.75000000000000 0.68474141138156 0.12500000000000 39.098 > 73 77 K 0.25000000000000 0.18474141138156 0.62500000000000 39.098 > 73 78 K 0.75000000000000 0.18474141138156 0.62500000000000 39.098 > 73 79 K 0.25000000000000 0.68474141138156 0.62500000000000 39.098 > 73 80 K 0.75000000000000 0.68474141138156 0.62500000000000 39.098 > 73 81 K 0.00000000000000 0.06525858861844 0.37500000000000 39.098 > 65 82 K 0.50000000000000 0.06525858861844 0.37500000000000 39.098 > 65 83 K 0.00000000000000 0.56525858861844 0.37500000000000 39.098 > 65 84 K 0.50000000000000 0.56525858861844 0.37500000000000 39.098 > 65 85 K 0.00000000000000 0.06525858861844 0.87500000000000 39.098 > 65 86 K 0.50000000000000 0.06525858861844 0.87500000000000 39.098 > 65 87 K 0.00000000000000 0.56525858861844 0.87500000000000 39.098 > 65 88 K 0.50000000000000 0.56525858861844 0.87500000000000 39.098 > 65 89 K 0.00000000000000 0.43474141138156 0.12500000000000 39.098 > 73 90 K 0.50000000000000 0.43474141138156 0.12500000000000 39.098 > 73 91 K 0.00000000000000 0.93474141138156 0.12500000000000 39.098 > 73 92 K 0.50000000000000 0.93474141138156 0.12500000000000 39.098 > 73 93 K 0.00000000000000 0.43474141138156 0.62500000000000 39.098 > 73 94 K 0.50000000000000 0.43474141138156 0.62500000000000 39.098 > 73 95 K 0.00000000000000 0.93474141138156 0.62500000000000 39.098 > 73 96 K 0.50000000000000 0.93474141138156 0.62500000000000 39.098 > 73 97 Bi 0.25000000000000 0.44745178700549 0.12500000000000 208.980 > 97 98 Bi 0.75000000000000 0.44745178700549 0.12500000000000 208.980 > 97 99 Bi 0.25000000000000 0.94745178700549 0.12500000000000 208.980 > 97 100 Bi 0.75000000000000 0.94745178700549 0.12500000000000 208.980 > 97 101 Bi 0.25000000000000 0.44745178700549 0.62500000000000 208.980 > 97 102 Bi 0.75000000000000 0.44745178700549 0.62500000000000 208.980 > 97 103 Bi 0.25000000000000 0.94745178700549 0.62500000000000 208.980 > 97 104 Bi 0.75000000000000 0.94745178700549 0.62500000000000 208.980 > 97 105 Bi 0.25000000000000 0.05254821299451 0.37500000000000 208.980 > 105 106 Bi 0.75000000000000 0.05254821299451 0.37500000000000 208.980 > 105 107 Bi 0.25000000000000 0.55254821299451 0.37500000000000 208.980 > 105 108 Bi 0.75000000000000 0.55254821299451 0.37500000000000 208.980 > 105 109 Bi 0.25000000000000 0.05254821299451 0.87500000000000 208.980 > 105 110 Bi 0.75000000000000 0.05254821299451 0.87500000000000 208.980 > 105 111 Bi 0.25000000000000 0.55254821299451 0.87500000000000 208.980 > 105 112 Bi 0.75000000000000 0.55254821299451 0.87500000000000 208.980 > 105 113 Bi 0.00000000000000 0.19745178700549 0.12500000000000 208.980 > 97 114 Bi 0.50000000000000 0.19745178700549 0.12500000000000 208.980 > 97 115 Bi 0.00000000000000 0.69745178700549 0.12500000000000 208.980 > 97 116 Bi 0.50000000000000 0.69745178700549 0.12500000000000 208.980 > 97 117 Bi 0.00000000000000 0.19745178700549 0.62500000000000 208.980 > 97 118 Bi 0.50000000000000 0.19745178700549 0.62500000000000 208.980 > 97 119 Bi 0.00000000000000 0.69745178700549 0.62500000000000 208.980 > 97 120 Bi 0.50000000000000 0.69745178700549 0.62500000000000 208.980 > 97 121 Bi 0.00000000000000 0.30254821299451 0.37500000000000 208.980 > 105 122 Bi 0.50000000000000 0.30254821299451 0.37500000000000 208.980 > 105 123 Bi 0.00000000000000 0.80254821299451 0.37500000000000 208.980 > 105 124 Bi 0.50000000000000 0.80254821299451 0.37500000000000 208.980 > 105 125 Bi 0.00000000000000 0.30254821299451 0.87500000000000 208.980 > 105 126 Bi 0.50000000000000 0.30254821299451 0.87500000000000 208.980 > 105 127 Bi 0.00000000000000 0.80254821299451 0.87500000000000 208.980 > 105 128 Bi 0.50000000000000 0.80254821299451 0.87500000000000 208.980 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3560534 0.0000000 -0.6848338 0.0000000 3.9429562 0.0000000 -0.6848338 0.0000000 4.7842330 -------------------------- Born effective charges -------------------------- 1 O -2.1474324 -1.1134158 0.6027632 -0.6137149 -1.6684954 0.1277615 0.6410727 0.7304713 -2.6685235 2 O -2.1474324 1.1134158 0.6027632 0.6137149 -1.6684954 -0.1277615 0.6410727 -0.7304713 -2.6685235 3 O -2.1474324 1.1134158 0.6027632 0.6137149 -1.6684954 -0.1277615 0.6410727 -0.7304713 -2.6685235 4 O -2.1474324 -1.1134158 0.6027632 -0.6137149 -1.6684954 0.1277615 0.6410727 0.7304713 -2.6685235 5 K 1.2462229 0.0000000 0.1380693 0.0000000 1.2370382 0.0000000 0.1338183 0.0000000 1.2655356 6 K 1.2462229 0.0000000 0.1380693 0.0000000 1.2370382 0.0000000 0.1338183 0.0000000 1.2655356 7 Bi 3.0486420 0.0000000 -1.3435956 0.0000000 2.0999526 0.0000000 -1.4159637 0.0000000 4.0715115 8 Bi 3.0486420 0.0000000 -1.3435956 0.0000000 2.0999526 0.0000000 -1.4159637 0.0000000 4.0715115 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000016 (yyy) 0.00000016 (yyy) 0.00000016 (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: 0.78, Number of G-points: 293, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/282) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 282 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 1.954 ( 0.000 0.000 0.000) 0.000 3.364 ( 0.000 0.000 0.000) 0.000 3.433 ( 0.000 0.000 0.000) 0.000 3.744 ( 0.000 0.000 0.000) 0.000 3.860 ( 0.000 0.000 0.000) 0.000 4.102 ( 0.000 0.000 0.000) 0.000 4.220 ( 0.000 0.000 0.000) 0.000 4.363 ( 0.000 0.000 0.000) 0.000 4.832 ( 0.000 0.000 0.000) 0.000 5.307 ( 0.000 0.000 0.000) 0.000 5.572 ( 0.000 0.000 0.000) 0.000 6.599 ( 0.000 0.000 0.000) 0.000 7.351 ( 0.000 0.000 0.000) 0.000 8.293 ( 0.000 0.000 0.000) 0.000 9.833 ( 0.000 0.000 0.000) 0.000 10.760 ( 0.000 0.000 0.000) 0.000 11.537 ( 0.000 0.000 0.000) 0.000 13.022 ( 0.000 0.000 0.000) 0.000 13.780 ( 0.000 0.000 0.000) 0.000 14.906 ( 0.000 0.000 0.000) 0.000 15.569 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/282) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.238 ( 8.444 -7.340 5.097) 12.294 0.382 ( 12.426 -9.358 9.299) 18.123 0.602 ( 18.247 -9.120 26.113) 33.136 1.941 ( -0.226 0.058 -2.512) 2.523 3.321 ( -3.919 4.711 2.736) 6.711 3.461 ( 4.005 0.143 -1.399) 4.245 3.730 ( -0.128 -3.937 -7.268) 8.267 3.935 ( -6.203 0.130 -1.674) 6.426 4.095 ( -3.660 -5.997 -1.613) 7.209 4.244 ( 2.116 -3.820 -3.215) 5.423 4.614 ( 9.084 4.905 1.036) 10.376 4.847 ( 0.298 -2.651 -0.440) 2.704 5.358 ( 19.464 3.719 -26.318) 32.945 5.567 ( 2.034 -0.101 -4.143) 4.617 6.611 ( 0.144 -1.530 0.454) 1.602 7.700 ( -44.920 20.602 105.863) 116.830 8.585 ( -38.778 -18.323 34.825) 55.248 9.856 ( 4.717 -1.019 -3.135) 5.755 10.820 ( -8.338 -6.829 2.228) 11.006 11.518 ( -1.124 0.092 -2.145) 2.424 13.738 ( 21.573 19.835 -8.565) 30.531 14.044 ( 63.903 44.460 -16.270) 79.530 14.961 ( 6.413 -3.774 -2.388) 7.814 16.560 ( -14.995 -50.410 -43.066) 67.976 ======================= Grid point 2 (3/282) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 8.504 -8.129 6.920) 13.648 0.700 ( 9.618 -7.542 5.987) 13.610 1.136 ( 15.223 -6.932 21.907) 27.562 1.903 ( -0.779 0.437 -3.835) 3.937 3.222 ( -2.470 6.102 0.380) 6.594 3.493 ( 3.988 0.935 -1.184) 4.264 3.710 ( -4.272 -4.832 -6.772) 9.352 3.833 ( 2.644 3.928 -4.657) 6.641 4.128 ( -3.043 -2.925 4.620) 6.258 4.306 ( 3.357 -5.844 -4.983) 8.381 4.662 ( 2.124 3.736 5.431) 6.926 4.898 ( 0.504 -4.569 -0.209) 4.602 5.318 ( 6.347 1.904 -11.757) 13.496 5.557 ( 3.122 -0.171 -5.839) 6.623 6.651 ( 0.982 -3.037 0.540) 3.237 7.820 ( -11.875 9.439 44.602) 47.111 8.642 ( -17.269 -9.443 19.287) 27.557 9.924 ( 7.588 -1.902 -3.641) 8.629 10.818 ( -5.086 -3.674 1.642) 6.485 11.480 ( -1.200 -0.429 -2.859) 3.130 13.707 ( 17.540 14.713 -5.748) 23.604 14.129 ( 17.507 12.337 -2.972) 21.623 15.117 ( 11.121 -6.406 -3.023) 13.185 16.631 ( -4.756 -23.210 -18.909) 30.313 ======================= Grid point 3 (4/282) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 6.405 -8.897 7.596) 13.338 0.926 ( 8.029 -4.860 2.982) 9.848 1.535 ( 10.390 -4.087 14.959) 18.666 1.847 ( -1.507 0.971 -3.319) 3.772 3.123 ( -0.846 5.548 -0.628) 5.647 3.523 ( 3.941 0.901 -0.977) 4.159 3.613 ( -5.094 0.101 -4.394) 6.728 3.846 ( 4.601 -2.096 -4.280) 6.625 4.164 ( -1.189 -0.136 5.138) 5.275 4.380 ( 3.054 -5.668 -4.648) 7.941 4.678 ( -0.054 2.288 4.419) 4.977 4.953 ( -0.847 -3.826 0.225) 3.925 5.268 ( 1.817 1.505 -6.561) 6.972 5.553 ( 3.392 -0.423 -5.014) 6.068 6.718 ( 1.867 -3.715 0.267) 4.166 7.922 ( -2.345 5.983 20.543) 21.525 8.714 ( -8.840 -5.481 12.953) 16.613 10.024 ( 7.347 -2.109 -1.957) 7.890 10.811 ( -3.297 -2.421 0.314) 4.102 11.457 ( -0.368 -1.147 -2.049) 2.377 13.710 ( 13.519 10.362 -3.083) 17.310 14.121 ( 1.389 5.020 -0.855) 5.279 15.330 ( 11.458 -6.758 -1.852) 13.431 16.670 ( -3.159 -11.147 -10.477) 15.621 ======================= Grid point 4 (5/282) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 0.690 -5.125 2.463) 5.728 1.126 ( 8.676 -4.314 4.659) 10.751 1.760 ( 3.655 -1.783 2.933) 5.014 1.786 ( -0.984 1.733 1.680) 2.606 3.055 ( -0.006 3.381 -0.586) 3.432 3.532 ( -1.320 0.450 -3.029) 3.335 3.552 ( 1.564 0.337 0.585) 1.704 3.890 ( 2.061 -2.190 -2.474) 3.894 4.192 ( 0.382 0.836 3.254) 3.381 4.435 ( 1.465 -3.343 -2.617) 4.491 4.689 ( 0.101 0.467 1.930) 1.988 4.975 ( -1.375 -1.877 0.238) 2.339 5.217 ( -0.031 1.167 -3.173) 3.381 5.564 ( 2.327 -0.516 -2.654) 3.567 6.785 ( 1.562 -2.616 0.006) 3.046 7.971 ( -0.175 3.272 7.807) 8.467 8.775 ( -3.628 -2.508 6.855) 8.151 10.112 ( 4.213 -1.294 -0.583) 4.445 10.802 ( -1.625 -1.291 -0.329) 2.101 11.460 ( 0.307 -1.104 -0.819) 1.408 13.734 ( 9.265 6.087 -1.142) 11.145 14.044 ( -4.263 1.884 -0.607) 4.701 15.520 ( 7.542 -4.534 -0.469) 8.813 16.651 ( -2.801 -3.768 -5.293) 7.075 ======================= Grid point 5 (6/282) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 0.000 -0.000 0.000) 0.000 1.251 ( 0.000 -0.000 0.000) 0.000 1.732 ( 0.000 -0.000 0.000) 0.000 1.838 ( 0.000 -0.000 0.000) 0.000 3.031 ( 0.000 -0.000 0.000) 0.000 3.507 ( 0.000 -0.000 0.000) 0.000 3.565 ( 0.000 -0.000 0.000) 0.000 3.906 ( 0.000 -0.000 0.000) 0.000 4.205 ( 0.000 0.000 0.000) 0.000 4.454 ( 0.000 -0.000 -0.000) 0.000 4.697 ( 0.000 0.000 0.000) 0.000 4.977 ( 0.000 -0.000 0.000) 0.000 5.193 ( 0.000 -0.000 0.000) 0.000 5.571 ( 0.000 -0.000 0.000) 0.000 6.813 ( 0.000 -0.000 0.000) 0.000 7.982 ( 0.000 -0.000 0.000) 0.000 8.799 ( 0.000 -0.000 0.000) 0.000 10.145 ( 0.000 -0.000 0.000) 0.000 10.798 ( 0.000 -0.000 0.000) 0.000 11.468 ( 0.000 -0.000 0.000) 0.000 13.756 ( 0.000 -0.000 0.000) 0.000 13.993 ( 0.000 -0.000 0.000) 0.000 15.600 ( 0.000 -0.000 0.000) 0.000 16.627 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 12 (7/282) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.390 ( 9.340 0.000 9.192) 13.105 0.598 ( 13.222 0.000 10.363) 16.799 1.033 ( 18.578 0.000 24.089) 30.421 1.903 ( -0.848 -0.000 -3.950) 4.040 3.320 ( -5.310 -0.000 3.596) 6.413 3.513 ( 5.200 0.000 -1.581) 5.435 3.606 ( 0.744 0.000 -8.230) 8.264 3.931 ( -3.441 -0.000 -8.109) 8.809 4.030 ( -1.426 -0.000 9.831) 9.934 4.238 ( 7.288 0.000 -5.567) 9.171 4.745 ( 4.995 0.000 2.955) 5.804 4.799 ( -3.352 -0.000 0.550) 3.397 5.355 ( 11.894 0.000 -22.477) 25.430 5.535 ( -0.817 -0.000 -2.221) 2.367 6.610 ( 0.870 0.000 -0.018) 0.871 8.122 ( -55.511 -0.000 95.665) 110.604 8.350 ( 2.737 0.000 2.233) 3.533 9.897 ( 10.090 0.000 -7.507) 12.576 10.760 ( -3.174 -0.000 4.840) 5.787 11.480 ( -3.052 -0.000 -0.818) 3.160 13.860 ( 6.277 0.000 -0.329) 6.286 14.682 ( 0.997 0.000 -18.258) 18.285 15.323 ( 40.600 0.000 -44.196) 60.013 15.765 ( 9.480 0.000 6.654) 11.582 ======================= Grid point 13 (8/282) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 8.298 -3.356 9.508) 13.058 0.840 ( 10.287 -1.678 6.846) 12.470 1.442 ( 13.411 -2.469 16.447) 21.365 1.856 ( -0.698 -0.085 -4.296) 4.353 3.257 ( -3.621 3.832 1.673) 5.531 3.553 ( 4.980 1.273 -2.753) 5.831 3.574 ( -0.225 -2.290 -5.771) 6.213 3.831 ( 0.129 0.706 -4.948) 5.000 4.088 ( -5.511 -4.222 6.804) 9.721 4.316 ( 10.122 -0.031 -4.080) 10.913 4.733 ( -3.229 1.926 1.955) 4.238 4.853 ( 0.810 -3.446 3.225) 4.788 5.300 ( 4.878 0.932 -12.126) 13.103 5.517 ( 0.259 -1.640 -3.477) 3.853 6.636 ( 1.536 -2.019 -0.216) 2.546 8.153 ( -12.803 11.040 34.791) 38.681 8.510 ( -6.359 -10.098 14.352) 18.665 9.978 ( 13.105 -1.145 -9.857) 16.439 10.772 ( -4.558 -0.737 7.249) 8.595 11.439 ( -2.976 -0.314 0.668) 3.067 13.928 ( 9.007 4.072 -1.094) 9.945 14.434 ( 2.526 14.320 -12.865) 19.415 15.326 ( 25.024 10.206 -12.083) 29.604 16.190 ( 7.407 -25.085 -4.728) 26.580 ======================= Grid point 14 (9/282) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 5.920 -4.025 7.192) 10.147 1.033 ( 8.471 -2.766 4.453) 9.961 1.703 ( 6.347 -2.222 6.498) 9.352 1.814 ( -0.541 0.497 -2.456) 2.563 3.174 ( -1.366 4.913 -0.310) 5.109 3.528 ( 0.517 -0.335 -6.506) 6.535 3.571 ( 1.306 1.181 0.253) 1.779 3.840 ( 3.250 -1.448 -0.694) 3.625 4.123 ( -6.809 -5.576 4.832) 10.040 4.402 ( 9.506 0.751 -4.534) 10.559 4.695 ( -3.052 -0.065 1.811) 3.550 4.924 ( -0.428 -2.005 4.564) 5.004 5.247 ( 1.555 1.076 -6.428) 6.701 5.519 ( 0.651 -2.440 -3.237) 4.105 6.693 ( 1.945 -3.621 -0.537) 4.145 8.141 ( -2.035 9.219 12.335) 15.533 8.658 ( -3.096 -6.653 8.763) 11.429 10.071 ( 12.586 -1.568 -11.166) 16.898 10.790 ( -4.505 0.065 9.187) 10.232 11.431 ( -2.089 -1.024 2.937) 3.747 13.965 ( 11.037 8.316 -2.143) 13.984 14.197 ( -1.453 10.254 -7.194) 12.610 15.460 ( 17.395 1.509 -5.228) 18.226 16.460 ( 4.890 -11.815 -2.994) 13.133 ======================= Grid point 15 (10/282) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 5.488 -1.426 1.975) 6.005 1.200 ( 3.604 -3.465 4.349) 6.627 1.745 ( -0.036 0.662 -3.540) 3.601 1.821 ( -0.175 -1.001 0.902) 1.359 3.096 ( -0.145 4.432 -1.652) 4.732 3.496 ( 0.703 -0.610 -3.427) 3.551 3.566 ( -0.475 0.381 -0.255) 0.660 3.905 ( 3.185 -0.069 2.247) 3.898 4.133 ( -8.066 -5.145 3.661) 10.244 4.457 ( 7.425 -0.131 -6.605) 9.938 4.693 ( -0.908 0.015 2.848) 2.989 4.976 ( -0.359 -0.255 5.351) 5.369 5.203 ( 0.167 0.768 -2.735) 2.846 5.533 ( -0.572 -2.715 -1.663) 3.234 6.757 ( 1.317 -3.580 -0.691) 3.877 8.085 ( 0.437 7.263 1.175) 7.371 8.751 ( 0.120 -3.677 1.860) 4.123 10.128 ( 9.360 -1.110 -11.916) 15.193 10.818 ( -3.409 1.315 10.689) 11.296 11.455 ( -1.758 -0.867 4.597) 4.998 13.916 ( 2.943 11.007 -5.457) 12.633 14.059 ( 3.383 4.682 -1.127) 5.885 15.597 ( 9.942 0.401 -2.705) 10.311 16.595 ( 4.965 -3.018 0.248) 5.816 ======================= Grid point 16 (11/282) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 5.637 2.066 -0.459) 6.021 1.222 ( -5.377 2.341 -0.672) 5.903 1.726 ( 0.315 -2.440 -3.704) 4.447 1.793 ( -2.538 0.735 -2.300) 3.503 3.037 ( 0.051 2.005 -1.770) 2.675 3.500 ( -0.507 -1.829 -0.194) 1.908 3.550 ( -0.254 0.166 -0.478) 0.566 3.934 ( -1.381 0.930 1.591) 2.303 4.131 ( -4.662 -3.063 4.192) 6.978 4.481 ( 5.233 -0.929 -7.553) 9.235 4.701 ( -1.224 2.025 3.751) 4.435 5.015 ( 0.742 1.329 4.480) 4.732 5.194 ( 0.361 -0.560 0.395) 0.775 5.537 ( -3.036 -2.434 0.392) 3.911 6.795 ( 0.004 -1.625 -0.476) 1.693 7.993 ( 0.569 4.488 -6.670) 8.059 8.791 ( 2.734 -1.013 -3.309) 4.410 10.126 ( 4.986 -0.130 -11.056) 12.129 10.855 ( -1.787 2.638 10.573) 11.042 11.479 ( -1.990 0.311 5.288) 5.658 13.742 ( -4.654 6.080 -3.850) 8.570 14.080 ( 8.077 4.318 -0.856) 9.199 15.631 ( 2.016 3.794 -1.491) 4.548 16.701 ( 7.113 0.874 4.154) 8.283 ======================= Grid point 17 (12/282) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -6.136 9.567 -3.795) 11.982 1.054 ( -0.291 4.695 -1.827) 5.047 1.610 ( -7.426 1.228 -12.845) 14.888 1.809 ( 1.937 -1.678 2.381) 3.499 3.024 ( 0.199 -1.649 -0.634) 1.778 3.490 ( -5.293 -2.028 1.233) 5.801 3.592 ( 5.326 -0.872 1.707) 5.661 3.882 ( -6.189 -0.331 0.013) 6.197 4.162 ( 0.440 0.937 4.657) 4.771 4.483 ( 3.590 -0.461 -6.609) 7.535 4.666 ( -3.283 3.333 2.719) 5.411 5.034 ( 0.963 2.638 2.276) 3.615 5.228 ( -0.074 -1.569 3.128) 3.500 5.526 ( -5.103 -2.378 2.549) 6.180 6.787 ( -0.907 1.355 -0.157) 1.638 7.868 ( 0.232 1.412 -14.499) 14.570 8.796 ( 5.544 1.364 -6.696) 8.799 10.068 ( 0.461 1.200 -8.047) 8.149 10.889 ( 0.205 3.563 8.174) 8.919 11.492 ( -1.434 1.488 5.731) 6.092 13.591 ( -7.794 1.485 -1.525) 8.079 14.116 ( 6.049 3.349 -1.738) 7.129 15.536 ( -3.117 8.273 -0.106) 8.841 16.826 ( 7.694 3.057 7.548) 11.203 ======================= Grid point 18 (13/282) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -7.525 10.927 -3.578) 13.742 0.931 ( -3.301 9.701 -2.799) 10.623 1.317 ( -9.266 6.540 -17.268) 20.659 1.875 ( 1.048 -1.775 2.677) 3.378 3.071 ( 0.664 -4.873 0.333) 4.930 3.463 ( -4.343 -1.876 1.584) 4.988 3.718 ( 6.056 -2.672 3.318) 7.404 3.807 ( -4.968 -0.167 0.915) 5.054 4.189 ( 2.184 3.400 3.821) 5.561 4.464 ( 1.814 2.402 -3.199) 4.393 4.593 ( -4.247 1.259 -1.105) 4.565 5.003 ( -1.437 3.732 0.444) 4.024 5.273 ( -2.187 -1.755 5.056) 5.782 5.521 ( -4.913 -2.741 3.581) 6.669 6.742 ( -0.764 3.647 0.023) 3.727 7.706 ( 1.245 -0.611 -23.109) 23.150 8.787 ( 8.444 3.060 -8.876) 12.628 9.979 ( -2.540 2.190 -3.431) 4.798 10.914 ( 2.625 3.807 4.019) 6.126 11.513 ( 0.125 2.031 5.957) 6.295 13.465 ( -12.652 -1.955 0.757) 12.824 14.098 ( 0.521 3.902 -2.516) 4.672 15.363 ( -4.550 11.267 1.221) 12.212 16.942 ( 6.566 5.581 10.266) 13.403 ======================= Grid point 19 (14/282) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( -5.230 11.721 -0.919) 12.868 0.679 ( -7.231 12.581 -5.649) 15.572 0.927 ( -7.546 14.149 -15.189) 22.087 1.924 ( 0.126 -1.334 2.061) 2.459 3.161 ( 0.984 -6.818 0.102) 6.889 3.455 ( -2.008 -0.898 1.417) 2.617 3.730 ( -5.196 -2.448 -0.112) 5.745 3.921 ( 10.032 -1.415 6.178) 11.867 4.209 ( 3.730 3.871 3.725) 6.540 4.406 ( 0.057 6.859 0.721) 6.897 4.507 ( -6.516 -2.618 -5.754) 9.079 4.923 ( -3.372 3.423 -0.200) 4.809 5.299 ( -4.717 -1.578 5.761) 7.611 5.531 ( -2.858 -2.578 2.203) 4.435 6.686 ( -0.069 4.158 0.173) 4.162 7.516 ( 4.172 -0.506 -28.257) 28.568 8.786 ( 10.507 3.195 -9.391) 14.450 9.900 ( -2.663 2.290 0.014) 3.512 10.937 ( 4.923 3.013 0.308) 5.780 11.547 ( 1.613 2.188 4.718) 5.445 13.301 ( -20.784 -2.418 2.416) 21.063 13.986 ( -3.842 6.158 -2.053) 7.543 15.176 ( -3.018 11.633 1.303) 12.088 17.044 ( 6.088 5.919 11.841) 14.571 ======================= Grid point 20 (15/282) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.312 ( 0.000 11.993 -0.000) 11.993 0.398 ( 0.000 15.496 -0.000) 15.496 0.559 ( 0.000 21.044 -0.000) 21.044 1.946 ( -0.000 -0.729 0.000) 0.729 3.258 ( -0.000 -6.918 0.000) 6.918 3.448 ( 0.000 0.707 -0.000) 0.707 3.724 ( -0.000 -2.003 0.000) 2.003 4.071 ( -0.000 -2.347 0.000) 2.347 4.306 ( -0.000 -0.028 0.000) 0.028 4.317 ( 0.000 7.127 -0.000) 7.127 4.367 ( -0.000 -0.210 0.000) 0.210 4.858 ( 0.000 2.125 -0.000) 2.125 5.300 ( -0.000 -0.592 0.000) 0.592 5.549 ( -0.000 -1.784 0.000) 1.784 6.640 ( 0.000 3.199 -0.000) 3.199 7.376 ( 0.000 1.919 -0.000) 1.919 8.801 ( 0.000 0.997 -0.000) 0.997 9.857 ( 0.000 1.778 -0.000) 1.778 10.963 ( 0.000 0.551 -0.000) 0.551 11.562 ( 0.000 1.805 -0.000) 1.805 13.083 ( 0.000 4.616 -0.000) 4.616 13.861 ( 0.000 6.079 -0.000) 6.079 15.029 ( 0.000 9.177 -0.000) 9.177 17.133 ( 0.000 0.904 -0.000) 0.904 ======================= Grid point 23 (16/282) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 7.335 0.000 9.473) 11.981 0.997 ( 7.533 0.000 4.341) 8.694 1.671 ( 7.549 0.000 7.331) 10.523 1.818 ( 0.437 0.000 -3.488) 3.515 3.244 ( -4.162 -0.000 1.575) 4.450 3.529 ( 2.948 0.000 -6.298) 6.954 3.592 ( 4.188 0.000 -4.951) 6.485 3.825 ( 1.235 0.000 2.952) 3.200 4.023 ( -6.784 -0.000 3.701) 7.728 4.420 ( 9.005 0.000 -3.968) 9.841 4.693 ( -4.065 -0.000 1.663) 4.392 4.893 ( 0.705 0.000 6.050) 6.091 5.263 ( 3.076 0.000 -8.904) 9.420 5.480 ( -0.603 -0.000 -1.867) 1.962 6.642 ( 1.952 0.000 -0.373) 1.987 8.337 ( -10.371 -0.000 19.850) 22.395 8.499 ( 4.225 0.000 4.140) 5.916 10.049 ( 15.689 0.000 -14.818) 21.580 10.793 ( -5.462 -0.000 12.522) 13.661 11.417 ( -3.318 -0.000 4.474) 5.570 14.069 ( 10.047 0.000 -0.684) 10.070 14.378 ( -3.767 -0.000 -11.986) 12.565 15.565 ( 20.962 0.000 -17.910) 27.571 16.204 ( 13.409 0.000 7.822) 15.523 ======================= Grid point 24 (17/282) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 6.508 -0.579 7.076) 9.631 1.117 ( 5.067 -2.280 2.106) 5.942 1.750 ( 0.718 -0.166 -2.031) 2.160 1.807 ( 0.998 -0.106 -1.278) 1.625 3.192 ( -2.399 2.124 -0.365) 3.225 3.507 ( 3.079 1.490 -5.503) 6.479 3.579 ( 0.694 0.303 -3.940) 4.012 3.907 ( 3.882 0.560 5.897) 7.082 3.990 ( -8.247 -4.904 4.529) 10.610 4.442 ( 3.774 -0.640 -9.047) 9.823 4.706 ( 1.304 0.681 5.536) 5.728 4.963 ( 0.366 -0.566 7.261) 7.292 5.224 ( 1.266 0.626 -5.205) 5.393 5.465 ( -1.324 -1.857 -1.525) 2.744 6.680 ( 2.319 -1.853 -0.228) 2.977 8.283 ( -2.280 6.661 0.299) 7.047 8.631 ( 2.826 -4.801 3.765) 6.724 10.104 ( 14.121 -0.605 -17.410) 22.425 10.848 ( -4.849 0.716 15.546) 16.301 11.435 ( -2.957 -0.507 7.606) 8.176 14.164 ( 8.944 4.912 -2.894) 10.607 14.187 ( -2.982 4.995 -8.121) 9.990 15.647 ( 15.541 2.846 -9.611) 18.493 16.479 ( 12.073 -4.617 5.294) 13.968 ======================= Grid point 25 (18/282) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 7.926 0.558 1.042) 8.014 1.213 ( 0.034 -2.628 3.351) 4.259 1.687 ( -3.069 -0.504 -7.392) 8.019 1.806 ( 0.006 0.392 -0.664) 0.771 3.123 ( -0.752 3.536 -2.662) 4.489 3.474 ( 0.327 0.597 -3.966) 4.024 3.554 ( -0.038 -0.068 -0.946) 0.950 3.912 ( -8.059 -2.876 0.664) 8.583 4.074 ( 2.844 -0.772 10.021) 10.445 4.414 ( 2.678 -3.288 -11.180) 11.957 4.769 ( 2.554 2.643 6.290) 7.285 5.038 ( 0.573 0.322 7.420) 7.449 5.191 ( 0.122 0.383 -2.123) 2.161 5.460 ( -2.834 -3.082 -0.992) 4.303 6.737 ( 2.159 -2.235 0.374) 3.130 8.142 ( -0.040 6.055 -10.204) 11.865 8.738 ( 3.123 -2.752 1.026) 4.287 10.115 ( 10.431 -0.535 -17.129) 20.063 10.917 ( -3.501 1.964 15.665) 16.171 11.479 ( -2.741 -0.213 8.976) 9.388 13.952 ( -4.536 8.275 -8.082) 12.425 14.223 ( 9.577 5.819 -1.237) 11.275 15.713 ( 9.406 2.860 -4.698) 10.896 16.702 ( 10.932 -0.789 4.792) 11.963 ======================= Grid point 26 (19/282) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 2.288 1.857 -3.669) 4.706 1.214 ( -0.511 4.600 2.088) 5.078 1.582 ( -4.810 -2.680 -9.774) 11.218 1.793 ( 0.292 0.500 0.155) 0.599 3.047 ( 0.025 2.966 -3.141) 4.320 3.432 ( -4.474 -1.842 -0.973) 4.935 3.578 ( 3.815 -0.388 0.401) 3.856 3.833 ( -9.807 -2.979 0.068) 10.250 4.203 ( 4.166 1.684 9.451) 10.465 4.398 ( 2.375 -4.477 -11.384) 12.461 4.794 ( -0.007 5.101 6.039) 7.905 5.089 ( 0.820 1.762 4.641) 5.031 5.192 ( 0.068 -1.205 0.883) 1.495 5.449 ( -4.745 -3.420 0.062) 5.849 6.790 ( 1.584 -0.738 1.563) 2.345 7.956 ( -0.046 4.545 -16.376) 16.995 8.801 ( 3.670 -0.613 -1.092) 3.878 10.085 ( 6.271 0.243 -14.129) 15.460 10.977 ( -2.258 3.116 13.122) 13.675 11.523 ( -2.041 0.850 8.981) 9.249 13.728 ( -4.772 7.591 -5.835) 10.698 14.249 ( 8.423 6.282 -1.877) 10.674 15.715 ( 3.701 5.701 -1.972) 7.078 16.878 ( 10.269 1.417 5.674) 11.817 ======================= Grid point 27 (20/282) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -6.667 7.285 -3.189) 10.377 1.153 ( 1.095 7.481 -3.330) 8.262 1.437 ( -4.037 2.519 -10.271) 11.320 1.821 ( 0.898 -2.079 1.366) 2.645 3.008 ( 0.243 0.079 -1.464) 1.486 3.397 ( -4.988 -2.934 0.592) 5.817 3.655 ( 3.426 -2.256 -0.423) 4.124 3.765 ( -5.374 -2.475 2.415) 6.391 4.299 ( 3.977 4.131 8.298) 10.086 4.378 ( 0.567 -5.078 -10.859) 12.001 4.749 ( -1.846 7.261 4.699) 8.844 5.087 ( -0.825 2.871 0.935) 3.130 5.227 ( -0.705 -1.881 2.705) 3.370 5.436 ( -4.646 -3.676 1.200) 6.045 6.817 ( 0.877 2.141 2.658) 3.524 7.746 ( -0.402 3.051 -18.982) 19.230 8.831 ( 4.007 0.843 -2.645) 4.875 10.026 ( 2.389 1.449 -8.926) 9.353 11.009 ( -0.939 3.670 8.455) 9.265 11.566 ( -0.290 1.876 8.052) 8.273 13.538 ( -5.160 6.016 -3.436) 8.638 14.241 ( 5.690 6.690 -2.386) 9.101 15.633 ( 0.243 9.453 -0.187) 9.458 17.027 ( 8.096 2.162 6.179) 10.411 ======================= Grid point 28 (21/282) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -5.679 9.145 -3.023) 11.181 0.977 ( -3.558 10.475 -4.833) 12.073 1.248 ( -1.055 10.517 -6.488) 12.403 1.874 ( 0.422 -2.593 1.233) 2.902 3.025 ( 0.143 -3.277 -0.118) 3.282 3.399 ( -2.217 -3.388 1.174) 4.216 3.653 ( -4.093 -3.271 -2.204) 5.684 3.861 ( 5.781 -3.024 5.304) 8.409 4.321 ( 1.567 2.744 -1.014) 3.318 4.372 ( -0.424 -2.318 -1.432) 2.757 4.655 ( -1.661 8.660 2.128) 9.071 5.016 ( -3.088 3.775 -0.570) 4.910 5.258 ( -1.547 -1.747 2.268) 3.254 5.450 ( -2.157 -3.668 1.111) 4.398 6.803 ( 0.297 4.706 2.287) 5.241 7.550 ( -0.051 2.446 -15.494) 15.686 8.839 ( 3.460 1.442 -2.937) 4.762 9.961 ( -0.032 2.320 -3.333) 4.061 11.013 ( 0.407 3.287 3.237) 4.631 11.608 ( 1.240 2.305 5.398) 5.999 13.375 ( -5.598 5.925 -1.236) 8.244 14.176 ( 1.773 8.187 -1.906) 8.591 15.490 ( -0.916 12.238 0.558) 12.285 17.132 ( 4.510 2.220 5.022) 7.105 ======================= Grid point 29 (22/282) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 0.000 10.156 -0.000) 10.156 0.770 ( 0.000 13.541 -0.000) 13.541 1.035 ( 0.000 16.167 -0.000) 16.167 1.912 ( -0.000 -2.054 0.000) 2.054 3.085 ( -0.000 -5.806 0.000) 5.806 3.432 ( -0.000 -2.406 0.000) 2.406 3.652 ( -0.000 -3.254 0.000) 3.254 3.990 ( -0.000 -3.938 0.000) 3.938 4.329 ( -0.000 -2.911 0.000) 2.911 4.344 ( 0.000 3.439 -0.000) 3.439 4.535 ( 0.000 9.358 -0.000) 9.358 4.937 ( 0.000 3.887 -0.000) 3.887 5.276 ( -0.000 -1.312 0.000) 1.312 5.485 ( -0.000 -3.191 0.000) 3.191 6.750 ( 0.000 5.204 -0.000) 5.204 7.439 ( 0.000 2.831 -0.000) 2.831 8.832 ( 0.000 1.346 -0.000) 1.346 9.914 ( 0.000 2.528 -0.000) 2.528 10.996 ( 0.000 2.183 -0.000) 2.183 11.616 ( 0.000 2.282 -0.000) 2.282 13.237 ( 0.000 7.191 -0.000) 7.191 14.061 ( 0.000 9.140 -0.000) 9.140 15.323 ( 0.000 13.056 -0.000) 13.056 17.165 ( 0.000 1.504 -0.000) 1.504 ======================= Grid point 34 (23/282) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 6.074 0.000 7.345) 9.531 1.156 ( 3.719 0.000 -1.617) 4.055 1.684 ( -3.883 -0.000 -7.552) 8.492 1.812 ( 1.030 0.000 -0.626) 1.205 3.168 ( -1.635 -0.000 -1.788) 2.423 3.526 ( -1.436 -0.000 -6.267) 6.429 3.530 ( 3.568 0.000 -2.849) 4.566 3.851 ( -11.366 -0.000 3.788) 11.980 4.074 ( 6.766 0.000 10.447) 12.447 4.363 ( 0.743 0.000 -11.396) 11.421 4.808 ( 3.785 0.000 6.459) 7.487 5.038 ( 0.820 0.000 8.209) 8.250 5.201 ( 0.549 0.000 -3.534) 3.576 5.414 ( -3.060 -0.000 -0.877) 3.183 6.706 ( 3.090 0.000 0.904) 3.219 8.233 ( -1.184 -0.000 -13.896) 13.947 8.691 ( 4.236 0.000 4.477) 6.163 10.107 ( 12.021 0.000 -18.643) 22.183 10.944 ( -3.833 -0.000 16.866) 17.296 11.475 ( -3.004 -0.000 10.434) 10.858 14.069 ( -5.359 -0.000 -9.731) 11.109 14.308 ( 9.082 0.000 -1.153) 9.155 15.758 ( 11.716 0.000 -7.654) 13.995 16.683 ( 13.535 0.000 6.514) 15.021 ======================= Grid point 35 (24/282) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 2.929 0.885 -3.323) 4.517 1.242 ( 4.532 -1.168 5.835) 7.480 1.539 ( -5.380 -0.449 -10.696) 11.981 1.811 ( -0.259 0.512 -0.245) 0.624 3.121 ( -0.243 1.823 -3.528) 3.979 3.428 ( -3.940 1.284 -4.145) 5.862 3.565 ( 3.727 -0.696 -1.530) 4.089 3.755 ( -11.842 -2.462 4.408) 12.873 4.241 ( 5.652 1.568 5.429) 7.992 4.298 ( 2.707 -3.099 -7.360) 8.432 4.891 ( 2.245 2.226 5.920) 6.712 5.116 ( 0.316 0.159 7.228) 7.237 5.177 ( -0.159 0.171 -1.778) 1.793 5.374 ( -3.923 -1.950 -0.814) 4.455 6.770 ( 3.574 -0.538 2.841) 4.597 8.051 ( -0.320 2.293 -20.324) 20.456 8.781 ( 3.391 -0.613 3.013) 4.577 10.086 ( 8.867 -0.018 -16.181) 18.451 11.035 ( -2.851 1.251 14.691) 15.018 11.535 ( -2.381 0.162 10.923) 11.181 13.890 ( -5.440 3.915 -8.547) 10.862 14.381 ( 7.410 3.172 -1.418) 8.184 15.818 ( 7.721 2.231 -4.132) 9.036 16.901 ( 11.864 0.381 5.556) 13.106 ======================= Grid point 36 (25/282) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -3.446 2.338 -4.372) 6.038 1.299 ( 1.819 4.044 -3.547) 5.678 1.435 ( -0.127 -2.168 -3.706) 4.295 1.794 ( -0.854 -0.018 -0.156) 0.868 3.059 ( 0.619 3.032 -3.551) 4.710 3.342 ( -4.994 -0.978 -1.240) 5.238 3.601 ( 0.539 -2.118 -3.193) 3.869 3.707 ( -5.664 -1.906 7.028) 9.225 4.233 ( 0.747 -4.443 -10.414) 11.347 4.407 ( 6.028 2.770 7.686) 10.153 4.905 ( -0.494 4.755 4.772) 6.754 5.146 ( 0.031 1.771 0.803) 1.945 5.181 ( -0.992 -1.653 2.720) 3.334 5.350 ( -3.613 -2.830 -0.316) 4.600 6.851 ( 3.254 0.709 5.074) 6.070 7.826 ( -0.709 2.755 -20.911) 21.104 8.841 ( 2.564 0.067 1.036) 2.766 10.051 ( 5.387 0.622 -11.399) 12.623 11.091 ( -2.079 2.570 10.472) 10.982 11.599 ( -0.945 0.717 9.386) 9.461 13.697 ( -4.544 5.422 -6.358) 9.512 14.398 ( 5.665 5.035 -1.638) 7.755 15.820 ( 3.885 5.184 -1.659) 6.687 17.070 ( 9.037 1.230 4.659) 10.241 ======================= Grid point 37 (26/282) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -5.407 4.886 -4.896) 8.780 1.189 ( -0.688 6.163 -4.710) 7.787 1.435 ( 1.710 4.098 -0.658) 4.488 1.805 ( -0.029 -2.417 0.361) 2.444 3.010 ( 0.328 1.876 -1.477) 2.410 3.310 ( -2.868 -3.027 0.052) 4.170 3.576 ( -3.645 -2.786 -1.954) 4.987 3.786 ( 2.514 -2.612 5.767) 6.812 4.212 ( -0.820 -5.542 -8.343) 10.049 4.482 ( 3.868 5.021 5.655) 8.494 4.852 ( -1.220 6.620 2.539) 7.194 5.102 ( -1.775 2.835 -0.984) 3.487 5.212 ( -1.036 -1.838 1.772) 2.755 5.357 ( -1.458 -3.423 0.404) 3.743 6.907 ( 1.787 3.348 4.997) 6.275 7.617 ( -0.804 2.547 -14.940) 15.177 8.866 ( 1.650 0.697 -0.280) 1.813 10.010 ( 2.073 1.524 -5.436) 6.014 11.101 ( -1.076 3.468 5.095) 6.256 11.653 ( 0.382 1.167 5.707) 5.838 13.535 ( -2.811 5.933 -3.184) 7.296 14.369 ( 3.159 6.584 -1.330) 7.422 15.757 ( 1.177 8.436 -0.287) 8.523 17.178 ( 4.920 1.520 3.102) 6.012 ======================= Grid point 38 (27/282) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 0.000 6.966 -0.000) 6.966 1.062 ( 0.000 9.311 -0.000) 9.311 1.355 ( 0.000 8.974 -0.000) 8.974 1.845 ( -0.000 -3.062 0.000) 3.062 2.998 ( -0.000 -0.732 0.000) 0.732 3.341 ( -0.000 -4.101 0.000) 4.101 3.574 ( -0.000 -2.801 0.000) 2.801 3.885 ( -0.000 -4.025 0.000) 4.025 4.226 ( -0.000 -4.976 0.000) 4.976 4.467 ( 0.000 5.631 -0.000) 5.631 4.760 ( 0.000 8.062 -0.000) 8.062 5.038 ( 0.000 3.801 -0.000) 3.801 5.235 ( -0.000 -1.831 0.000) 1.831 5.396 ( -0.000 -3.647 0.000) 3.647 6.886 ( 0.000 5.200 -0.000) 5.200 7.509 ( 0.000 2.548 -0.000) 2.548 8.863 ( 0.000 1.045 -0.000) 1.045 9.975 ( 0.000 2.147 -0.000) 2.147 11.071 ( 0.000 3.544 -0.000) 3.544 11.667 ( 0.000 1.547 -0.000) 1.547 13.421 ( 0.000 6.880 -0.000) 6.880 14.288 ( 0.000 8.245 -0.000) 8.245 15.638 ( 0.000 11.079 -0.000) 11.079 17.205 ( 0.000 1.593 -0.000) 1.593 ======================= Grid point 45 (28/282) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -2.402 -0.000 -4.418) 5.029 1.363 ( 6.569 0.000 4.552) 7.992 1.382 ( -2.864 -0.000 -10.166) 10.561 1.798 ( -1.887 -0.000 -0.339) 1.917 3.105 ( 1.031 0.000 -3.846) 3.982 3.342 ( -5.280 -0.000 -2.937) 6.042 3.563 ( -1.230 -0.000 -3.463) 3.674 3.681 ( -4.898 -0.000 8.921) 10.177 4.172 ( 0.673 0.000 -11.655) 11.675 4.443 ( 7.267 0.000 8.595) 11.255 4.971 ( 0.264 0.000 4.551) 4.559 5.155 ( -1.391 -0.000 1.680) 2.181 5.172 ( -0.187 -0.000 2.026) 2.035 5.310 ( -2.820 -0.000 -0.741) 2.916 6.859 ( 4.359 0.000 5.889) 7.327 7.864 ( -0.796 -0.000 -22.222) 22.236 8.841 ( 2.279 0.000 2.381) 3.296 10.059 ( 6.299 0.000 -11.948) 13.506 11.126 ( -2.045 -0.000 10.889) 11.079 11.607 ( -1.311 -0.000 9.929) 10.015 13.771 ( -5.188 -0.000 -7.527) 9.142 14.466 ( 4.755 0.000 -1.194) 4.903 15.887 ( 5.179 0.000 -2.428) 5.720 17.086 ( 9.304 0.000 4.332) 10.263 ======================= Grid point 46 (29/282) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -4.581 1.349 -5.076) 6.969 1.290 ( 0.384 1.963 -4.903) 5.295 1.474 ( 4.476 -0.015 2.375) 5.067 1.767 ( -2.111 -0.601 -0.435) 2.237 3.078 ( 1.361 2.258 -2.664) 3.748 3.264 ( -3.902 -0.612 -0.764) 4.023 3.515 ( -3.471 -1.720 -1.188) 4.052 3.739 ( 0.668 -0.982 6.381) 6.491 4.101 ( 0.028 -2.605 -8.647) 9.031 4.573 ( 4.699 1.963 5.424) 7.440 4.975 ( -1.115 2.834 2.482) 3.929 5.145 ( -0.486 0.202 -1.141) 1.256 5.179 ( -1.591 -0.263 2.254) 2.772 5.291 ( -0.972 -1.522 -0.233) 1.821 6.965 ( 3.327 1.156 6.792) 7.651 7.665 ( -1.254 1.064 -16.303) 16.386 8.876 ( 1.168 0.195 0.925) 1.502 10.036 ( 3.101 0.510 -6.171) 6.925 11.170 ( -1.135 1.592 5.704) 6.029 11.668 ( -0.227 0.213 6.028) 6.036 13.645 ( -3.166 2.376 -4.415) 5.930 14.487 ( 2.524 2.477 -0.804) 3.626 15.902 ( 2.349 2.930 -0.924) 3.868 17.206 ( 5.072 0.600 2.463) 5.670 ======================= Grid point 47 (30/282) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 0.000 3.233 -0.000) 3.233 1.233 ( 0.000 4.289 -0.000) 4.289 1.496 ( 0.000 2.660 -0.000) 2.660 1.772 ( -0.000 -2.376 0.000) 2.376 3.038 ( 0.000 3.133 -0.000) 3.133 3.256 ( -0.000 -2.327 0.000) 2.327 3.510 ( -0.000 -2.244 0.000) 2.244 3.802 ( -0.000 -2.353 0.000) 2.353 4.101 ( -0.000 -4.304 0.000) 4.304 4.594 ( 0.000 3.837 -0.000) 3.837 4.928 ( 0.000 4.972 -0.000) 4.972 5.116 ( 0.000 2.174 -0.000) 2.174 5.190 ( -0.000 -1.478 0.000) 1.478 5.313 ( -0.000 -2.696 0.000) 2.696 6.996 ( 0.000 3.183 -0.000) 3.183 7.561 ( 0.000 1.453 -0.000) 1.453 8.883 ( 0.000 0.509 -0.000) 0.509 10.017 ( 0.000 1.159 -0.000) 1.159 11.158 ( 0.000 2.922 -0.000) 2.922 11.692 ( 0.000 0.473 -0.000) 0.473 13.564 ( 0.000 4.097 -0.000) 4.097 14.455 ( 0.000 4.646 -0.000) 4.646 15.857 ( 0.000 5.957 -0.000) 5.957 17.240 ( 0.000 1.036 -0.000) 1.036 ======================= Grid point 57 (31/282) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -0.000 -0.000 0.000) 0.000 1.286 ( -0.000 -0.000 0.000) 0.000 1.523 ( -0.000 -0.000 0.000) 0.000 1.740 ( -0.000 -0.000 0.000) 0.000 3.094 ( -0.000 -0.000 0.000) 0.000 3.227 ( -0.000 -0.000 0.000) 0.000 3.475 ( -0.000 -0.000 0.000) 0.000 3.772 ( -0.000 -0.000 0.000) 0.000 4.041 ( -0.000 -0.000 0.000) 0.000 4.644 ( -0.000 -0.000 0.000) 0.000 4.996 ( -0.000 -0.000 0.000) 0.000 5.138 ( -0.000 -0.000 0.000) 0.000 5.175 ( -0.000 -0.000 0.000) 0.000 5.275 ( -0.000 -0.000 0.000) 0.000 7.037 ( -0.000 -0.000 0.000) 0.000 7.579 ( -0.000 -0.000 0.000) 0.000 8.889 ( -0.000 -0.000 0.000) 0.000 10.032 ( -0.000 -0.000 0.000) 0.000 11.198 ( -0.000 -0.000 0.000) 0.000 11.696 ( -0.000 -0.000 0.000) 0.000 13.617 ( -0.000 -0.000 0.000) 0.000 14.514 ( -0.000 -0.000 0.000) 0.000 15.932 ( -0.000 -0.000 0.000) 0.000 17.253 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 103 (32/282) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.260 ( 1.017 0.000 13.559) 13.598 0.513 ( 4.960 0.000 24.308) 24.809 0.826 ( -5.489 -0.000 38.277) 38.668 1.931 ( -2.022 -0.000 -2.173) 2.968 3.261 ( 11.037 0.000 -10.140) 14.988 3.438 ( -2.795 -0.000 -0.747) 2.893 3.605 ( -2.933 -0.000 -10.122) 10.539 3.870 ( 10.218 0.000 -1.500) 10.328 4.091 ( -11.543 -0.000 -1.221) 11.608 4.296 ( -7.697 -0.000 6.233) 9.905 4.420 ( 9.338 0.000 4.797) 10.498 4.856 ( -0.460 -0.000 2.410) 2.454 5.396 ( -4.806 -0.000 -1.574) 5.058 5.599 ( -3.889 -0.000 2.646) 4.703 6.669 ( -6.469 -0.000 6.583) 9.230 8.206 ( 7.549 0.000 -8.577) 11.426 9.660 ( 4.891 0.000 -13.366) 14.233 10.899 ( -5.158 -0.000 11.112) 12.251 11.338 ( -4.700 -0.000 -17.906) 18.512 12.856 ( 104.952 0.000 3.741) 105.019 13.811 ( -2.431 -0.000 2.825) 3.727 14.042 (-236.190 -0.000 3.431) 236.215 14.889 ( -1.866 -0.000 -1.632) 2.479 15.599 ( 4.264 0.000 2.457) 4.921 ======================= Grid point 104 (33/282) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( 5.558 -3.514 13.318) 14.853 0.783 ( -0.520 -3.575 22.265) 22.557 1.173 ( 7.875 -2.890 27.032) 28.304 1.879 ( -1.995 -0.120 -3.341) 3.893 3.273 ( 6.074 5.396 -7.546) 11.088 3.371 ( 2.798 1.883 -6.294) 7.141 3.561 ( -1.255 -8.008 -7.237) 10.866 3.923 ( -7.240 3.524 0.901) 8.102 4.006 ( 10.535 -0.993 -5.511) 11.931 4.282 ( -6.948 -4.347 5.592) 9.921 4.599 ( 11.277 -0.904 2.846) 11.666 4.861 ( -2.429 -0.289 2.248) 3.322 5.336 ( -5.112 0.422 2.388) 5.659 5.564 ( -3.906 0.511 2.110) 4.469 6.668 ( -3.834 -1.638 5.838) 7.174 8.234 ( 8.044 1.534 -5.712) 9.984 9.620 ( 6.508 1.072 -12.516) 14.147 10.533 ( -87.648 25.842 33.217) 97.229 10.975 ( -13.548 -3.821 6.997) 15.720 11.839 ( -65.078 22.704 48.954) 84.540 13.532 ( 45.527 24.520 -7.809) 52.296 13.920 ( 12.658 -3.777 -0.307) 13.213 14.905 ( 2.735 -5.269 -3.043) 6.671 16.043 ( 1.137 -38.194 -10.877) 39.728 ======================= Grid point 105 (34/282) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 6.706 -5.834 12.399) 15.256 0.965 ( -2.897 -1.697 16.495) 16.833 1.512 ( 9.221 -3.501 13.482) 16.705 1.837 ( -1.514 -0.730 -1.983) 2.599 3.174 ( 0.858 6.103 -4.247) 7.484 3.371 ( 8.763 0.518 -9.660) 13.053 3.590 ( -2.566 -7.162 -5.389) 9.323 3.823 ( -3.364 3.041 4.517) 6.400 4.099 ( 12.124 0.662 -7.148) 14.090 4.308 ( -6.298 -4.955 4.986) 9.438 4.759 ( 5.573 0.250 4.629) 7.249 4.852 ( 0.114 -2.362 -1.663) 2.891 5.291 ( -5.013 0.405 3.147) 5.932 5.535 ( -2.566 0.178 2.415) 3.528 6.712 ( -2.640 -3.542 5.817) 7.304 8.260 ( 4.916 3.728 -0.715) 6.211 9.388 ( -37.907 13.454 22.112) 45.901 9.850 ( -18.036 -6.327 5.846) 19.988 10.965 ( -6.487 1.129 11.324) 13.099 11.566 ( -12.097 6.489 15.709) 20.862 13.632 ( 18.303 12.737 -1.712) 22.364 14.087 ( 8.390 0.269 -1.455) 8.520 15.047 ( 9.661 -8.924 -3.546) 13.622 16.346 ( 2.600 -21.269 -9.261) 23.343 ======================= Grid point 106 (35/282) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 1.097 -5.798 8.941) 10.712 1.080 ( 2.490 -1.517 10.408) 10.809 1.707 ( 4.225 -2.284 1.509) 5.034 1.825 ( -0.860 -0.353 1.365) 1.651 3.093 ( 0.329 3.585 -1.781) 4.017 3.401 ( 8.316 -0.460 -8.131) 11.640 3.560 ( -3.526 -1.660 -3.545) 5.268 3.849 ( 1.307 -0.681 5.080) 5.290 4.178 ( 11.941 1.956 -6.351) 13.666 4.325 ( -5.745 -4.648 2.635) 7.846 4.770 ( -4.261 0.531 3.064) 5.276 4.934 ( 5.710 -1.713 -0.073) 5.961 5.256 ( -4.221 0.156 3.517) 5.497 5.541 ( -0.878 -0.708 3.188) 3.382 6.785 ( -2.763 -4.529 6.361) 8.283 8.242 ( -1.405 5.477 4.956) 7.519 9.022 ( -26.918 3.395 15.120) 31.060 9.882 ( 3.570 -8.905 -9.217) 13.304 10.971 ( -5.427 3.151 13.290) 14.698 11.520 ( -3.871 3.460 9.541) 10.862 13.686 ( 10.938 7.121 0.605) 13.066 14.102 ( -2.193 0.616 -1.055) 2.510 15.284 ( 11.847 -9.246 -2.412) 15.220 16.503 ( 2.134 -10.221 -6.093) 12.089 ======================= Grid point 107 (36/282) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -3.387 -2.416 3.953) 5.739 1.245 ( 4.237 -1.212 5.937) 7.394 1.724 ( -1.284 -1.224 -2.174) 2.806 1.832 ( -0.331 0.170 -1.046) 1.110 3.058 ( -1.115 0.831 0.959) 1.689 3.451 ( 5.939 -2.040 -4.783) 7.894 3.509 ( -0.289 0.351 -3.479) 3.508 3.919 ( 1.663 -0.045 4.027) 4.357 4.230 ( 7.379 4.428 -1.959) 8.826 4.332 ( -2.755 -6.032 -3.226) 7.374 4.743 ( -2.683 -0.420 1.714) 3.211 4.998 ( 2.259 1.448 2.576) 3.720 5.246 ( -3.087 -0.259 4.768) 5.686 5.580 ( -0.292 -1.290 3.540) 3.779 6.857 ( -4.205 -4.008 7.085) 9.162 8.186 ( -7.214 4.215 9.405) 12.580 8.831 ( -12.542 -0.070 0.526) 12.553 9.953 ( 4.684 -7.680 -11.220) 14.380 10.980 ( -4.721 4.469 14.122) 15.546 11.526 ( -1.288 2.849 7.336) 7.975 13.744 ( 5.133 2.023 1.920) 5.842 14.034 ( -5.336 0.037 -0.398) 5.351 15.500 ( 7.571 -6.397 -1.328) 10.000 16.576 ( 2.719 -3.694 -2.171) 5.075 ======================= Grid point 108 (37/282) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -2.001 2.116 1.194) 3.148 1.249 ( -5.529 3.112 0.886) 6.406 1.712 ( -1.933 -2.215 -6.878) 7.480 1.791 ( -1.215 0.160 0.628) 1.377 3.053 ( -2.033 -1.237 1.768) 2.965 3.485 ( 2.998 0.657 -4.580) 5.513 3.520 ( 2.575 -3.417 0.435) 4.301 3.954 ( 1.373 1.983 2.256) 3.302 4.207 ( -1.202 3.542 -0.118) 3.742 4.358 ( 3.011 -4.332 -6.543) 8.405 4.737 ( -1.810 0.313 2.313) 2.954 5.010 ( 0.667 3.281 3.300) 4.701 5.273 ( -1.597 -1.099 6.356) 6.645 5.618 ( -0.852 -0.967 3.328) 3.569 6.893 ( -6.921 -2.191 7.954) 10.769 8.125 ( -13.019 1.272 13.720) 18.957 8.682 ( -3.346 1.232 -9.946) 10.566 9.991 ( 3.108 -5.664 -10.680) 12.482 10.984 ( -4.347 5.371 13.828) 15.458 11.532 ( -0.891 3.279 5.624) 6.571 13.786 ( -5.062 -4.673 2.891) 7.471 13.999 ( 0.128 -0.816 0.743) 1.111 15.587 ( -0.233 -1.264 -1.224) 1.775 16.658 ( 5.747 -0.775 2.751) 6.419 ======================= Grid point 109 (38/282) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -3.787 9.421 -2.259) 10.402 1.127 ( -10.481 1.984 5.160) 11.850 1.527 ( -9.446 2.310 -14.904) 17.796 1.847 ( 1.512 -2.130 3.632) 4.474 3.070 ( -0.674 -2.502 0.627) 2.666 3.476 ( 2.671 0.135 -5.136) 5.791 3.619 ( 2.101 -3.845 5.173) 6.779 3.946 ( -0.098 2.501 0.620) 2.578 4.128 ( -1.801 3.186 -2.756) 4.581 4.394 ( 3.400 -2.277 -4.295) 5.932 4.711 ( -4.042 1.687 2.608) 5.097 4.994 ( 0.221 4.185 2.192) 4.729 5.341 ( -0.597 -2.255 6.945) 7.327 5.642 ( -1.004 -0.630 2.749) 2.994 6.875 ( -10.073 -0.522 9.231) 13.673 8.049 ( -21.632 -0.586 19.554) 29.166 8.549 ( 5.678 3.977 -14.800) 16.343 9.986 ( 1.102 -3.158 -9.076) 9.673 10.973 ( -4.477 5.854 12.294) 14.334 11.525 ( -0.321 3.252 4.242) 5.355 13.794 ( -11.970 -9.433 4.826) 15.986 14.061 ( 1.775 -4.251 1.128) 4.743 15.517 ( -6.442 3.200 -0.710) 7.228 16.781 ( 7.379 2.274 6.931) 10.376 ======================= Grid point 110 (39/282) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -6.604 10.785 0.413) 12.653 1.003 ( -14.159 4.801 10.443) 18.237 1.173 ( -14.381 5.483 -18.550) 24.104 1.920 ( 1.059 -1.624 3.220) 3.758 3.108 ( 1.968 -2.908 -1.914) 4.000 3.460 ( 1.606 -0.903 -5.380) 5.687 3.759 ( 3.482 -2.309 8.565) 9.529 3.906 ( -3.310 -0.089 -0.271) 3.323 4.039 ( 2.197 4.812 -6.430) 8.327 4.423 ( 1.380 -0.147 -0.069) 1.390 4.641 ( -6.180 1.060 0.782) 6.319 4.944 ( -0.497 4.978 0.004) 5.003 5.427 ( -0.598 -3.488 5.603) 6.627 5.658 ( -0.518 -0.763 0.733) 1.179 6.824 ( -12.509 -0.804 10.861) 16.586 7.952 ( -27.358 -1.288 30.936) 41.317 8.487 ( 10.795 5.995 -7.676) 14.540 9.941 ( -0.153 -0.475 -7.537) 7.553 10.943 ( -4.129 5.556 10.368) 12.467 11.522 ( 0.721 2.355 2.604) 3.584 13.816 ( -13.610 -11.318 7.408) 19.189 14.143 ( -6.420 -11.124 1.492) 12.930 15.353 ( -9.783 5.233 0.503) 11.106 16.894 ( 7.327 6.789 9.828) 14.013 ======================= Grid point 111 (40/282) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( -6.568 11.152 6.525) 14.495 0.710 ( -18.369 8.681 -14.634) 25.039 0.837 ( -18.640 7.066 16.317) 25.761 1.964 ( -0.201 -0.707 1.831) 1.973 3.154 ( 5.005 -2.527 -5.552) 7.891 3.452 ( 0.783 -2.142 -4.169) 4.752 3.825 ( -0.403 3.173 1.070) 3.373 3.907 ( 1.082 3.110 -2.268) 3.998 3.988 ( 5.304 -1.954 -0.118) 5.654 4.420 ( -2.630 2.804 4.502) 5.920 4.538 ( -7.685 -0.680 -4.348) 8.856 4.871 ( -0.233 4.079 -0.801) 4.163 5.500 ( -0.545 -4.459 -0.101) 4.493 5.647 ( -1.409 -0.522 -2.769) 3.151 6.773 ( -12.750 -1.843 9.750) 16.156 8.034 ( -17.729 -8.993 38.478) 43.310 8.640 ( 8.877 0.755 44.173) 45.062 9.867 ( 0.149 1.982 -6.355) 6.659 10.923 ( -2.264 4.866 9.965) 11.318 11.524 ( 1.207 1.171 -0.334) 1.715 13.851 ( -10.988 -7.673 7.888) 15.551 14.218 ( -26.347 -30.781 6.008) 40.960 15.163 ( -11.427 4.149 1.486) 12.248 16.975 ( 8.793 9.804 8.845) 15.864 ======================= Grid point 112 (41/282) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.286 ( -12.832 9.665 0.277) 16.067 0.374 ( -3.527 10.931 16.024) 19.716 0.710 ( -19.580 4.823 31.401) 37.318 1.964 ( -1.477 -0.090 -0.163) 1.489 3.204 ( 8.328 -1.714 -8.355) 11.920 3.454 ( -1.701 -3.016 -1.958) 3.977 3.766 ( -5.211 1.818 -6.071) 8.204 3.811 ( 10.329 7.881 -6.238) 14.413 4.136 ( 0.580 -3.651 7.893) 8.716 4.365 ( -7.160 4.287 6.995) 10.889 4.384 ( -6.092 -0.252 -6.446) 8.873 4.842 ( 0.652 1.243 1.066) 1.763 5.485 ( -2.460 -2.233 -8.999) 9.593 5.614 ( -3.445 -0.358 2.979) 4.568 6.713 ( -9.978 -0.279 7.350) 12.396 8.180 ( 3.250 -3.423 -3.976) 6.172 9.697 ( 5.295 -8.553 -1.697) 10.201 10.239 ( 47.045 -47.597 112.103) 130.560 10.979 ( 13.267 6.529 19.785) 24.700 11.519 ( 1.213 -1.220 -0.263) 1.740 13.845 ( -4.988 0.890 4.171) 6.563 14.443 ( -64.670 -85.719 15.483) 108.488 15.001 ( -13.713 -2.466 1.642) 14.030 16.873 ( -4.638 21.895 -28.164) 35.973 ======================= Grid point 114 (42/282) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 6.476 0.000 13.357) 14.844 0.953 ( -0.754 -0.000 19.998) 20.012 1.463 ( 8.584 0.000 16.692) 18.770 1.821 ( -1.525 -0.000 -3.677) 3.981 3.332 ( 1.720 0.000 -3.798) 4.170 3.380 ( 6.175 0.000 -8.428) 10.448 3.411 ( 2.486 0.000 -9.967) 10.272 3.886 ( -4.769 -0.000 4.424) 6.505 4.099 ( 10.505 0.000 -8.184) 13.316 4.234 ( -4.804 -0.000 9.458) 10.608 4.746 ( 10.143 0.000 0.965) 10.189 4.831 ( -5.097 -0.000 2.271) 5.580 5.296 ( -5.548 -0.000 3.483) 6.550 5.535 ( -3.775 -0.000 2.532) 4.546 6.663 ( -2.620 -0.000 5.042) 5.683 8.312 ( 10.519 0.000 -6.109) 12.164 9.630 ( 11.936 0.000 -14.341) 18.658 9.729 ( -88.353 -0.000 38.911) 96.542 10.981 ( -5.825 -0.000 14.293) 15.435 11.673 ( -26.620 -0.000 23.830) 35.728 13.875 ( 4.350 0.000 1.533) 4.612 14.189 ( 26.608 0.000 -21.446) 34.174 14.937 ( 14.866 0.000 -6.889) 16.384 15.898 ( 11.751 0.000 5.775) 13.093 ======================= Grid point 115 (43/282) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 5.083 -2.446 11.851) 13.125 1.081 ( -1.751 0.857 14.397) 14.528 1.660 ( 5.717 -1.021 4.464) 7.325 1.792 ( -0.500 -1.436 -1.428) 2.086 3.233 ( 0.498 6.707 -3.641) 7.647 3.390 ( 6.181 -0.433 -9.128) 11.032 3.448 ( 3.796 -6.144 -7.422) 10.356 3.889 ( -1.174 2.608 8.810) 9.262 4.128 ( 2.984 -3.420 -6.273) 7.743 4.296 ( 1.584 0.597 5.425) 5.683 4.776 ( -5.410 0.089 1.794) 5.700 4.883 ( 7.963 -1.682 0.989) 8.199 5.259 ( -5.134 0.093 4.077) 6.557 5.521 ( -3.047 -0.596 3.558) 4.722 6.692 ( -2.001 -2.164 5.004) 5.808 8.377 ( 8.681 3.601 -3.436) 10.007 9.098 ( -51.104 2.135 25.153) 56.999 9.701 ( 11.287 -4.480 -12.909) 17.724 11.030 ( -5.810 1.323 15.484) 16.591 11.593 ( -11.456 1.796 14.869) 18.856 13.919 ( 8.841 6.692 -0.183) 11.089 14.185 ( 5.673 5.092 -10.778) 13.201 15.123 ( 19.927 -2.640 -7.248) 21.368 16.190 ( 11.154 -11.205 2.102) 15.949 ======================= Grid point 116 (44/282) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 0.335 -0.395 7.867) 7.884 1.191 ( 2.161 -2.350 9.333) 9.864 1.706 ( 0.472 -0.245 -3.532) 3.572 1.810 ( -0.357 -1.729 -0.116) 1.769 3.138 ( 0.432 5.052 -2.514) 5.659 3.399 ( 3.915 -1.739 -5.936) 7.320 3.490 ( 3.496 -2.359 -6.071) 7.393 3.940 ( 1.740 2.054 7.763) 8.216 4.168 ( 0.254 -5.860 -3.248) 6.705 4.321 ( 0.560 1.968 0.729) 2.172 4.739 ( -1.665 0.291 1.485) 2.250 5.001 ( 4.877 -1.086 2.498) 5.586 5.240 ( -4.052 -0.135 5.028) 6.459 5.535 ( -2.708 -1.759 4.243) 5.332 6.750 ( -2.068 -3.609 5.319) 6.752 8.352 ( -2.758 7.871 4.544) 9.498 8.784 ( -21.600 -3.583 5.329) 22.534 9.791 ( 10.444 -4.727 -12.141) 16.698 11.073 ( -5.148 2.661 15.557) 16.602 11.583 ( -5.231 1.623 11.159) 12.431 13.922 ( 8.489 9.671 -2.562) 13.121 14.086 ( -1.076 3.264 -3.498) 4.904 15.355 ( 16.463 -4.257 -4.551) 17.603 16.446 ( 9.496 -6.336 0.622) 11.433 ======================= Grid point 117 (45/282) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 1.116 0.574 4.238) 4.420 1.300 ( -1.248 -0.525 4.517) 4.716 1.651 ( -2.418 -1.574 -6.747) 7.339 1.803 ( -1.144 0.223 -0.854) 1.445 3.071 ( -1.156 2.697 -0.461) 2.971 3.434 ( 2.869 -2.965 -2.645) 4.901 3.497 ( 2.775 -0.173 -4.284) 5.107 3.992 ( 0.396 1.189 3.706) 3.912 4.213 ( -2.870 -4.161 2.215) 5.519 4.292 ( 2.086 0.387 -5.900) 6.270 4.754 ( 2.368 1.170 2.035) 3.334 5.069 ( 1.913 1.167 3.091) 3.818 5.251 ( -3.113 -0.643 6.730) 7.443 5.564 ( -3.178 -2.820 3.990) 5.829 6.814 ( -2.797 -3.389 5.555) 7.083 8.213 ( -15.357 5.106 11.384) 19.786 8.675 ( -0.978 -1.837 -8.639) 8.886 9.865 ( 7.743 -4.000 -10.020) 13.279 11.104 ( -4.386 3.810 14.335) 15.468 11.599 ( -2.798 1.969 8.323) 8.999 13.827 ( -1.711 6.448 -3.418) 7.496 14.052 ( 4.620 4.443 0.534) 6.432 15.539 ( 9.677 -2.344 -2.698) 10.316 16.625 ( 9.633 -1.735 2.247) 10.042 ======================= Grid point 118 (46/282) ======================= q-point: (-0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 2.699 2.361 2.935) 4.634 1.212 ( -8.585 5.856 0.350) 10.398 1.551 ( -5.772 -0.930 -11.314) 12.735 1.801 ( 0.717 -0.932 2.091) 2.399 3.037 ( -1.855 0.200 1.472) 2.377 3.464 ( 0.097 -1.814 -4.378) 4.740 3.533 ( 4.335 -2.101 1.676) 5.101 3.968 ( -5.679 -0.031 0.678) 5.720 4.224 ( 0.560 3.423 2.982) 4.574 4.296 ( 3.649 -4.851 -7.880) 9.947 4.777 ( 1.281 3.105 2.494) 4.184 5.081 ( 0.242 2.648 2.456) 3.620 5.293 ( -2.448 -1.489 7.483) 8.013 5.589 ( -4.160 -3.296 3.223) 6.210 6.852 ( -3.924 -1.262 5.565) 6.925 8.056 ( -21.633 0.991 15.723) 26.761 8.623 ( 8.040 1.834 -13.524) 15.840 9.912 ( 4.771 -2.512 -6.899) 8.756 11.112 ( -4.236 4.777 12.007) 13.599 11.603 ( -1.545 2.727 5.544) 6.369 13.697 ( -6.749 1.864 -0.541) 7.023 14.074 ( 6.001 4.175 0.512) 7.328 15.598 ( 2.703 2.466 -1.583) 3.987 16.795 ( 10.412 -0.142 4.759) 11.449 ======================= Grid point 119 (47/282) ======================= q-point: (-0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -7.062 10.919 0.462) 13.011 1.098 ( -3.657 2.636 5.350) 6.996 1.313 ( -8.925 5.278 -13.460) 16.991 1.863 ( 1.060 -2.650 2.590) 3.854 3.045 ( -1.057 -1.650 2.273) 3.001 3.434 ( -0.546 -1.492 -5.486) 5.712 3.662 ( 4.503 -4.063 4.879) 7.784 3.885 ( -7.517 -0.985 -0.208) 7.584 4.201 ( 5.148 6.216 -2.849) 8.559 4.345 ( 1.825 -4.865 -3.854) 6.469 4.738 ( -2.580 5.377 2.835) 6.603 5.053 ( -0.740 3.592 0.466) 3.697 5.351 ( -2.490 -2.593 6.451) 7.385 5.598 ( -5.010 -3.653 2.267) 6.602 6.840 ( -5.161 1.561 5.506) 7.707 7.923 ( -25.045 -0.933 23.284) 34.209 8.603 ( 11.872 3.280 -11.773) 17.038 9.929 ( 2.325 -0.398 -3.721) 4.406 11.085 ( -4.374 5.243 9.037) 11.326 11.593 ( 0.079 3.000 2.769) 4.083 13.605 ( -10.277 -2.584 2.987) 11.010 14.095 ( 3.771 3.394 -0.009) 5.073 15.531 ( -1.709 7.235 -0.305) 7.440 16.966 ( 9.033 0.745 5.583) 10.646 ======================= Grid point 120 (48/282) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -9.394 9.258 2.705) 13.464 0.984 ( -11.017 11.279 -1.809) 15.870 1.033 ( -3.757 8.248 2.782) 9.481 1.923 ( -0.035 -2.417 1.752) 2.985 3.082 ( 0.300 -2.605 0.702) 2.715 3.406 ( 1.005 -2.051 -6.031) 6.449 3.767 ( -6.444 -4.792 0.186) 8.032 3.872 ( 4.910 -1.830 5.715) 7.754 4.149 ( 7.313 7.825 -6.874) 12.726 4.382 ( -0.626 -4.052 -3.246) 5.229 4.636 ( -5.345 6.675 3.414) 9.208 4.980 ( -1.843 4.206 -1.497) 4.830 5.400 ( -3.215 -3.439 3.724) 6.003 5.592 ( -5.386 -3.503 1.286) 6.552 6.787 ( -6.243 2.816 6.174) 9.221 7.887 ( -23.483 -3.267 35.289) 42.514 8.661 ( 10.647 0.910 1.504) 10.791 9.915 ( 0.773 1.908 -1.454) 2.520 11.042 ( -3.387 4.318 7.292) 9.126 11.576 ( 1.488 2.718 -0.967) 3.246 13.538 ( -16.612 -6.389 6.517) 18.954 14.070 ( -0.565 4.198 0.166) 4.239 15.382 ( -3.920 10.451 0.646) 11.180 17.088 ( 5.881 1.662 2.885) 6.758 ======================= Grid point 121 (49/282) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( -8.858 9.954 1.755) 13.440 0.752 ( -1.330 15.462 8.975) 17.928 0.912 ( -9.344 10.044 17.084) 21.910 1.946 ( -1.453 -1.430 0.001) 2.038 3.129 ( 2.647 -3.478 -2.794) 5.188 3.399 ( 1.609 -1.857 -5.890) 6.382 3.730 ( -4.659 -2.826 -0.216) 5.453 4.016 ( 3.007 -2.308 -1.413) 4.046 4.084 ( 9.418 7.370 -6.528) 13.624 4.362 ( -2.566 -1.683 -2.777) 4.139 4.512 ( -5.915 6.846 5.266) 10.468 4.898 ( -1.055 3.089 -0.760) 3.351 5.410 ( -4.357 -3.157 -0.244) 5.386 5.579 ( -4.670 -2.459 2.527) 5.852 6.732 ( -6.362 2.321 7.268) 9.934 8.027 ( -12.015 -6.999 27.895) 31.169 9.006 ( -0.098 -19.320 45.399) 49.339 9.893 ( -0.481 1.896 5.134) 5.494 11.045 ( -0.951 1.062 9.418) 9.526 11.536 ( 1.284 2.065 -5.986) 6.461 13.423 ( -28.675 -8.149 9.801) 31.380 13.982 ( -3.028 6.459 1.845) 7.368 15.193 ( -4.065 11.383 0.325) 12.092 17.094 ( 0.646 3.354 -7.727) 8.448 ======================= Grid point 122 (50/282) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( 0.174 9.965 8.869) 13.341 0.700 ( -0.754 10.999 18.813) 21.806 0.925 ( -0.662 7.542 28.613) 29.597 1.926 ( -2.008 -0.501 -1.888) 2.801 3.193 ( 5.466 -4.559 -5.890) 9.239 3.382 ( 0.804 -1.568 -5.908) 6.165 3.701 ( -1.597 2.030 -2.255) 3.429 3.956 ( 8.571 6.561 -11.480) 15.757 4.036 ( -9.656 -3.613 -1.825) 10.470 4.380 ( -1.349 4.953 2.605) 5.756 4.445 ( 5.041 1.851 6.461) 8.401 4.868 ( -0.378 1.151 1.233) 1.728 5.376 ( -4.760 -1.465 0.206) 4.985 5.578 ( -3.855 -1.655 2.824) 5.057 6.694 ( -5.243 2.047 6.965) 8.955 8.161 ( 1.864 -3.589 2.068) 4.542 9.604 ( -0.061 -11.481 0.672) 11.500 10.292 ( -31.860 -49.423 69.002) 90.658 11.193 ( -13.263 -12.847 13.228) 22.714 11.519 ( -1.566 -12.959 14.523) 19.527 13.176 ( -22.328 2.145 9.654) 24.420 13.902 ( 0.284 6.164 3.731) 7.211 15.015 ( -1.688 9.437 -1.283) 9.672 16.760 ( -9.105 21.628 -26.140) 35.127 ======================= Grid point 125 (51/282) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 4.445 0.000 9.935) 10.884 1.158 ( -3.671 -0.000 10.100) 10.747 1.706 ( 1.235 0.000 -3.232) 3.460 1.777 ( 1.174 0.000 -0.366) 1.230 3.239 ( -3.434 -0.000 -1.827) 3.890 3.379 ( 6.359 0.000 -7.254) 9.646 3.424 ( 7.736 0.000 -8.875) 11.773 4.002 ( 1.035 0.000 11.730) 11.776 4.059 ( -2.167 -0.000 -2.719) 3.477 4.344 ( -0.240 -0.000 -0.752) 0.789 4.748 ( -0.819 -0.000 2.358) 2.496 4.976 ( 6.427 0.000 1.754) 6.663 5.239 ( -4.522 -0.000 5.335) 6.993 5.510 ( -3.786 -0.000 4.749) 6.073 6.701 ( -1.229 -0.000 5.062) 5.209 8.495 ( 10.983 0.000 -5.406) 12.242 8.700 ( -38.076 -0.000 14.629) 40.789 9.729 ( 13.287 0.000 -12.467) 18.220 11.107 ( -5.451 -0.000 15.942) 16.848 11.605 ( -7.122 -0.000 12.638) 14.507 14.072 ( 8.646 0.000 1.105) 8.716 14.142 ( -0.752 -0.000 -11.042) 11.068 15.306 ( 20.778 0.000 -8.504) 22.451 16.337 ( 14.370 0.000 5.099) 15.247 ======================= Grid point 126 (52/282) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 2.019 3.185 6.474) 7.492 1.221 ( -1.207 -4.460 6.736) 8.168 1.639 ( -3.267 0.104 -7.995) 8.638 1.800 ( 0.943 -0.202 0.857) 1.290 3.159 ( -2.202 2.889 -2.533) 4.428 3.396 ( 4.914 0.454 -4.515) 6.689 3.460 ( 4.491 -2.614 -6.042) 7.969 4.005 ( -3.558 -0.284 0.720) 3.641 4.137 ( 2.484 -0.916 8.698) 9.093 4.285 ( -4.172 -0.709 -4.285) 6.023 4.791 ( 4.579 1.259 2.224) 5.244 5.071 ( 4.611 -0.577 1.855) 5.003 5.240 ( -3.946 -0.194 7.069) 8.098 5.506 ( -5.092 -1.346 5.026) 7.280 6.749 ( -0.450 -1.449 5.700) 5.898 8.345 ( -23.408 4.263 7.205) 24.860 8.604 ( 6.701 -2.954 -7.107) 10.205 9.797 ( 10.652 -1.344 -9.368) 14.249 11.169 ( -4.629 1.285 14.213) 15.003 11.632 ( -4.033 0.657 10.139) 10.931 13.994 ( -3.160 4.501 -8.395) 10.036 14.172 ( 8.239 3.579 1.291) 9.075 15.491 ( 16.475 -1.065 -5.763) 17.487 16.577 ( 13.878 -1.497 4.112) 14.552 ======================= Grid point 127 (53/282) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 1.866 2.054 3.693) 4.619 1.301 ( -1.966 -0.740 3.986) 4.505 1.503 ( -5.308 -1.320 -9.493) 10.956 1.808 ( -0.060 0.988 0.964) 1.381 3.078 ( -1.740 2.586 -1.367) 3.404 3.410 ( 0.402 -1.244 -2.211) 2.568 3.498 ( 4.314 -1.656 -2.951) 5.482 3.958 ( -7.983 -0.882 2.424) 8.390 4.188 ( 0.257 -2.737 -7.287) 7.788 4.278 ( 3.166 0.654 6.059) 6.868 4.851 ( 5.255 2.525 1.516) 6.024 5.125 ( 1.708 0.806 1.314) 2.301 5.266 ( -3.588 -0.701 7.978) 8.776 5.501 ( -6.343 -3.002 4.255) 8.206 6.819 ( 0.263 -1.110 6.273) 6.376 8.088 ( -21.744 1.302 8.295) 23.309 8.646 ( 9.905 0.241 -11.210) 14.961 9.865 ( 7.355 -1.150 -4.995) 8.965 11.203 ( -4.111 2.343 11.040) 12.011 11.656 ( -2.241 1.437 7.024) 7.511 13.815 ( -4.915 5.466 -5.387) 9.114 14.222 ( 7.587 6.196 1.361) 9.889 15.632 ( 10.440 0.439 -3.261) 10.946 16.793 ( 12.822 -0.036 4.063) 13.450 ======================= Grid point 128 (54/282) ======================= q-point: (-0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -4.532 1.579 1.668) 5.081 1.220 ( -2.456 5.809 -0.751) 6.352 1.406 ( -2.469 1.090 -4.987) 5.671 1.811 ( -0.014 -0.746 1.424) 1.608 3.036 ( -1.447 0.888 1.549) 2.298 3.389 ( -2.888 -1.679 -2.770) 4.340 3.573 ( 4.266 -3.076 -0.044) 5.259 3.873 ( -8.401 -0.012 2.641) 8.806 4.182 ( 1.451 -5.544 -8.361) 10.137 4.355 ( 5.230 3.827 4.202) 7.724 4.868 ( 2.045 4.494 1.030) 5.044 5.124 ( -0.264 2.001 0.548) 2.091 5.299 ( -3.700 -1.496 6.617) 7.727 5.494 ( -7.033 -4.142 3.308) 8.807 6.879 ( 0.408 1.274 5.614) 5.771 7.907 ( -21.563 -0.312 15.535) 26.578 8.661 ( 11.382 1.479 -13.132) 17.441 9.924 ( 4.335 0.008 -0.501) 4.364 11.194 ( -4.352 3.273 7.179) 9.011 11.660 ( -0.582 2.158 3.272) 3.963 13.650 ( -5.800 4.477 -1.603) 7.500 14.239 ( 6.402 6.994 1.247) 9.563 15.680 ( 4.909 4.264 -1.534) 6.681 16.979 ( 10.849 0.560 4.081) 11.605 ======================= Grid point 129 (55/282) ======================= q-point: (-0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -9.631 5.827 -1.142) 11.314 1.164 ( -4.427 4.716 6.246) 8.992 1.292 ( 2.045 9.382 -3.470) 10.210 1.851 ( -0.019 -2.919 1.450) 3.259 3.042 ( -1.687 -0.520 4.109) 4.473 3.347 ( -1.596 -2.248 -4.622) 5.382 3.644 ( -2.444 -4.644 -0.381) 5.262 3.839 ( 0.150 -0.887 3.215) 3.338 4.206 ( 1.803 -4.520 -5.469) 7.321 4.379 ( 4.367 5.304 0.039) 6.870 4.808 ( -1.685 6.438 1.020) 6.732 5.074 ( -1.835 3.201 -1.133) 3.860 5.325 ( -3.964 -2.502 4.509) 6.504 5.488 ( -6.418 -4.406 2.971) 8.332 6.883 ( -1.118 4.107 3.722) 5.655 7.835 ( -20.551 -1.248 27.773) 34.572 8.684 ( 11.296 0.799 -10.298) 15.307 9.963 ( 1.827 1.799 2.783) 3.784 11.140 ( -4.556 3.442 3.808) 6.864 11.644 ( 0.924 2.334 -1.354) 2.852 13.526 ( -6.831 3.356 2.528) 8.020 14.229 ( 4.324 7.526 1.530) 8.814 15.628 ( 1.066 8.406 -0.295) 8.479 17.116 ( 6.975 0.909 2.191) 7.367 ======================= Grid point 130 (56/282) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( -5.215 8.342 3.575) 10.468 1.072 ( -7.824 9.203 12.601) 17.456 1.186 ( 4.252 11.142 0.092) 11.926 1.892 ( -0.916 -2.760 0.374) 2.932 3.064 ( -2.126 -1.253 3.774) 4.509 3.336 ( 1.796 -3.088 -6.258) 7.206 3.643 ( -3.442 -3.776 0.144) 5.112 3.917 ( 1.430 -4.176 -0.361) 4.429 4.252 ( 6.605 1.024 -2.526) 7.145 4.330 ( -0.103 3.115 -3.003) 4.328 4.695 ( -3.667 7.301 1.534) 8.313 4.990 ( -1.611 3.908 -1.574) 4.510 5.336 ( -4.354 -2.698 2.550) 5.721 5.496 ( -4.768 -3.889 3.173) 6.923 6.827 ( -3.226 4.806 4.168) 7.132 7.905 ( -16.755 -2.529 35.634) 39.458 8.774 ( 6.937 -3.524 2.500) 8.172 9.973 ( 0.156 3.673 4.623) 5.906 11.077 ( -4.159 1.670 2.964) 5.374 11.594 ( 1.048 2.168 -6.972) 7.376 13.422 ( -8.312 4.329 6.067) 11.164 14.182 ( 1.583 8.725 2.618) 9.246 15.497 ( -1.223 11.721 0.114) 11.785 17.156 ( 1.870 1.985 -2.853) 3.947 ======================= Grid point 131 (57/282) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 0.143 10.872 6.422) 12.628 0.981 ( -5.732 10.694 15.307) 19.533 1.156 ( 5.645 9.553 11.661) 16.096 1.900 ( -1.584 -1.671 -1.203) 2.598 3.091 ( -0.655 -2.754 0.837) 2.952 3.341 ( 2.934 -2.188 -7.517) 8.361 3.683 ( 1.624 -2.660 1.797) 3.598 3.927 ( -5.571 -4.709 -3.923) 8.283 4.147 ( 1.939 7.841 -11.991) 14.458 4.420 ( 8.344 -1.454 5.765) 10.246 4.567 ( -4.696 6.871 2.266) 8.625 4.925 ( 0.584 3.348 -1.062) 3.561 5.331 ( -4.036 -1.997 1.938) 4.903 5.516 ( -3.564 -3.118 3.127) 5.675 6.772 ( -3.752 3.965 6.298) 8.335 8.056 ( -9.234 -3.483 24.434) 26.352 9.032 ( -7.397 -16.050 28.058) 33.160 9.970 ( -2.140 3.338 9.209) 10.026 11.055 ( -5.877 -1.946 5.385) 8.206 11.493 ( 0.189 1.762 -10.265) 10.417 13.313 ( -5.336 7.194 7.519) 11.695 14.105 ( 0.275 9.273 3.979) 10.095 15.316 ( -1.224 13.279 -0.649) 13.351 17.043 ( -3.088 5.817 -10.981) 12.804 ======================= Grid point 132 (58/282) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 4.109 9.465 9.526) 14.044 0.933 ( -4.842 7.927 16.414) 18.860 1.300 ( 9.837 6.188 18.071) 21.485 1.877 ( -1.609 -0.506 -2.164) 2.744 3.130 ( 0.388 -4.539 -2.343) 5.123 3.343 ( 5.949 -1.095 -8.550) 10.474 3.731 ( 1.590 3.623 -0.899) 4.057 3.834 ( -9.945 -3.236 -1.087) 10.515 4.033 ( 8.138 2.280 -9.456) 12.682 4.429 ( -4.589 6.493 1.336) 8.062 4.611 ( 8.458 -0.811 6.091) 10.455 4.891 ( 0.801 2.452 -1.230) 2.858 5.317 ( -4.265 -1.075 2.421) 5.021 5.534 ( -2.658 -1.872 2.470) 4.083 6.739 ( -3.205 3.633 6.797) 8.347 8.167 ( -0.884 -3.099 6.976) 7.685 9.352 ( -23.495 -20.481 26.966) 41.215 10.002 ( -17.895 -2.983 22.141) 28.624 11.010 ( -11.537 -0.756 4.519) 12.414 11.463 ( -1.015 -5.120 3.865) 6.495 13.319 ( 11.730 2.219 4.058) 12.608 14.050 ( 2.597 6.801 3.736) 8.182 15.141 ( 2.017 12.402 -2.070) 12.734 16.732 ( -4.326 15.451 -16.204) 22.804 ======================= Grid point 136 (59/282) ======================= q-point: ( 0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -3.030 -0.000 4.754) 5.638 1.222 ( 4.730 0.000 5.029) 6.904 1.496 ( -6.283 -0.000 -9.510) 11.398 1.824 ( 0.238 0.000 1.635) 1.653 3.121 ( -2.285 -0.000 -2.466) 3.362 3.416 ( -0.088 -0.000 -3.678) 3.679 3.452 ( 6.344 0.000 -3.954) 7.475 3.939 ( -7.628 -0.000 3.679) 8.469 4.161 ( -4.142 -0.000 -7.716) 8.757 4.280 ( 5.688 0.000 8.615) 10.324 4.888 ( 6.116 0.000 1.122) 6.218 5.131 ( 3.345 0.000 0.418) 3.371 5.257 ( -4.116 -0.000 8.267) 9.235 5.461 ( -7.285 -0.000 4.909) 8.785 6.804 ( 1.537 0.000 7.012) 7.179 8.107 ( -21.973 -0.000 4.737) 22.478 8.647 ( 10.946 0.000 -9.980) 14.812 9.851 ( 8.209 0.000 -4.221) 9.230 11.232 ( -3.970 -0.000 10.504) 11.229 11.674 ( -2.544 -0.000 7.679) 8.090 13.895 ( -5.019 -0.000 -7.359) 8.908 14.313 ( 7.183 0.000 2.007) 7.458 15.635 ( 13.802 0.000 -4.672) 14.572 16.792 ( 14.043 0.000 4.307) 14.689 ======================= Grid point 137 (60/282) ======================= q-point: (-0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -3.861 1.922 3.369) 5.473 1.311 ( -1.485 1.771 -1.578) 2.799 1.365 ( 0.419 -2.880 -1.480) 3.265 1.823 ( -1.431 0.804 1.145) 2.002 3.072 ( -0.968 1.309 -1.190) 2.017 3.368 ( -3.292 0.093 -1.291) 3.537 3.504 ( 4.221 -2.065 -3.518) 5.870 3.876 ( -9.254 0.098 6.336) 11.216 4.073 ( -0.109 -2.409 -7.891) 8.251 4.418 ( 6.727 1.137 5.232) 8.598 4.952 ( 4.601 1.879 -0.202) 4.974 5.155 ( 0.744 0.579 0.034) 0.943 5.273 ( -4.444 -0.560 6.638) 8.008 5.413 ( -7.874 -1.824 4.085) 9.056 6.899 ( 2.925 0.334 7.333) 7.902 7.905 ( -19.045 0.016 9.942) 21.484 8.683 ( 11.103 0.385 -13.070) 17.154 9.926 ( 5.261 0.088 1.366) 5.436 11.249 ( -3.631 1.091 5.818) 6.944 11.697 ( -1.247 0.718 3.762) 4.028 13.754 ( -5.382 2.655 -4.409) 7.446 14.388 ( 5.313 3.669 2.461) 6.909 15.747 ( 9.562 1.215 -2.978) 10.088 16.993 ( 11.781 0.365 3.570) 12.316 ======================= Grid point 138 (61/282) ======================= q-point: (-0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -8.084 3.128 0.204) 8.670 1.258 ( -0.879 2.897 3.612) 4.713 1.429 ( 3.371 1.283 0.638) 3.663 1.804 ( -1.613 -0.496 0.844) 1.887 3.053 ( -0.154 1.139 2.000) 2.307 3.311 ( -4.240 -0.478 -0.947) 4.371 3.539 ( -0.094 -3.530 -2.995) 4.630 3.826 ( -4.067 -0.238 2.620) 4.844 4.083 ( 1.390 -4.105 -1.587) 4.616 4.499 ( 5.618 3.428 1.065) 6.667 4.944 ( 0.978 4.106 -1.129) 4.370 5.137 ( -0.891 1.726 -0.710) 2.068 5.274 ( -4.671 -1.473 4.355) 6.554 5.386 ( -6.311 -3.299 3.440) 7.909 6.970 ( 1.743 2.502 4.270) 5.247 7.815 ( -17.169 -0.469 22.490) 28.298 8.700 ( 11.336 0.428 -13.951) 17.981 10.001 ( 2.421 1.119 5.864) 6.442 11.212 ( -3.765 2.129 1.200) 4.489 11.687 ( -0.118 1.083 -1.590) 1.928 13.629 ( -4.475 3.767 0.207) 5.853 14.408 ( 3.786 5.805 2.800) 7.475 15.788 ( 5.270 4.190 -1.560) 6.911 17.138 ( 7.907 0.798 2.027) 8.201 ======================= Grid point 139 (62/282) ======================= q-point: (-0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -4.064 5.426 5.028) 8.441 1.242 ( -2.638 4.889 8.278) 9.969 1.414 ( 2.615 6.079 -1.011) 6.694 1.819 ( -0.875 -2.689 0.761) 2.928 3.066 ( -1.727 1.103 5.905) 6.250 3.268 ( -0.998 -1.701 -3.308) 3.851 3.547 ( -1.666 -3.709 -1.342) 4.281 3.821 ( -0.955 -3.130 -2.694) 4.239 4.178 ( 3.155 -3.711 5.318) 7.212 4.480 ( 2.192 5.696 -4.174) 7.394 4.863 ( -1.577 5.731 -1.566) 6.147 5.082 ( -0.891 3.169 -1.415) 3.583 5.273 ( -4.227 -2.269 2.929) 5.621 5.396 ( -4.083 -3.811 3.198) 6.436 6.948 ( -2.024 4.311 2.168) 5.233 7.875 ( -14.263 -0.353 34.028) 36.898 8.728 ( 9.982 -0.803 -10.234) 14.319 10.058 ( 0.257 2.807 8.528) 8.981 11.129 ( -3.807 2.252 -2.031) 4.867 11.635 ( 0.320 1.079 -7.539) 7.622 13.551 ( -3.089 4.961 5.013) 7.700 14.390 ( 1.918 7.155 3.398) 8.150 15.748 ( 1.883 7.781 -0.598) 8.028 17.200 ( 2.836 1.481 -1.039) 3.364 ======================= Grid point 140 (63/282) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 0.772 7.744 7.380) 10.726 1.215 ( -3.607 7.530 12.174) 14.763 1.365 ( 3.995 6.433 1.528) 7.725 1.844 ( -1.140 -2.566 -0.311) 2.825 3.072 ( -3.614 1.208 6.721) 7.727 3.274 ( 3.157 -2.696 -5.704) 7.054 3.596 ( 2.547 -3.899 1.067) 4.778 3.808 ( -3.625 -4.403 -4.985) 7.575 4.321 ( 2.618 2.016 -4.160) 5.313 4.367 ( 1.404 1.360 4.303) 4.727 4.742 ( -2.416 6.614 -2.071) 7.340 5.023 ( 1.250 3.989 -1.985) 4.627 5.277 ( -3.280 -2.260 2.306) 4.602 5.428 ( -2.922 -3.708 3.235) 5.723 6.879 ( -4.127 4.163 4.572) 7.435 8.019 ( -11.514 0.361 33.343) 35.277 8.810 ( 4.300 -4.382 1.493) 6.318 10.087 ( -0.602 4.714 9.341) 10.481 11.039 ( -4.051 0.497 -2.140) 4.609 11.535 ( 0.220 1.306 -11.876) 11.949 13.502 ( -1.853 7.179 7.890) 10.827 14.335 ( -0.606 8.309 4.220) 9.339 15.634 ( -0.067 11.118 -0.340) 11.123 17.147 ( -2.161 3.017 -5.558) 6.683 ======================= Grid point 141 (64/282) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 2.840 9.481 6.167) 11.661 1.156 ( -4.826 8.964 10.473) 14.606 1.435 ( 8.385 3.837 10.297) 13.822 1.847 ( -1.429 -1.812 -1.416) 2.708 3.070 ( -2.833 -0.050 4.063) 4.954 3.306 ( 6.037 -1.795 -6.750) 9.232 3.721 ( 5.554 -3.029 3.462) 7.212 3.751 ( -6.211 -3.648 -4.652) 8.575 4.148 ( -0.184 5.963 -10.606) 12.169 4.548 ( 5.132 -3.441 9.175) 11.062 4.602 ( -3.226 6.697 -1.989) 7.695 4.976 ( 2.697 3.819 -3.458) 5.815 5.282 ( -3.070 -1.668 2.211) 4.135 5.471 ( -1.530 -3.007 3.328) 4.739 6.832 ( -3.950 3.379 7.290) 8.953 8.127 ( -7.936 0.564 20.099) 21.616 8.969 ( -7.609 -9.419 16.997) 20.869 10.090 ( -1.152 5.949 8.843) 10.720 10.974 ( -6.383 -1.467 0.278) 6.556 11.429 ( 1.714 0.513 -9.393) 9.562 13.465 ( 1.224 7.914 7.601) 11.041 14.245 ( -2.678 8.130 4.419) 9.633 15.475 ( 0.722 13.055 -0.834) 13.101 16.974 ( -5.053 5.817 -9.871) 12.522 ======================= Grid point 142 (65/282) ======================= q-point: (-0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 6.713 7.847 8.680) 13.490 1.073 ( -5.602 6.619 9.695) 13.008 1.604 ( 8.753 3.060 9.579) 13.332 1.834 ( -1.613 -1.162 -0.995) 2.223 3.074 ( -1.389 -1.603 0.626) 2.212 3.355 ( 8.775 -0.751 -7.641) 11.660 3.661 ( -7.219 -1.434 -2.713) 7.844 3.824 ( 2.982 2.191 2.803) 4.642 4.066 ( 7.307 -1.025 -7.243) 10.339 4.457 ( -3.483 6.532 -1.696) 7.594 4.714 ( 1.352 -2.946 8.339) 8.947 4.933 ( 3.342 3.283 -4.386) 6.417 5.276 ( -3.771 -0.839 2.608) 4.661 5.517 ( -0.327 -1.356 2.993) 3.302 6.812 ( -3.121 3.680 7.729) 9.111 8.175 ( -4.397 -1.645 9.048) 10.194 9.088 ( -19.961 -9.343 19.942) 29.722 10.034 ( -2.732 7.928 2.081) 8.640 10.927 ( -6.801 -1.932 5.827) 9.162 11.436 ( 0.997 -3.261 1.926) 3.916 13.504 ( 7.607 2.092 4.476) 9.070 14.155 ( -2.981 4.863 2.692) 6.307 15.334 ( 5.116 12.589 -1.523) 13.674 16.722 ( -3.727 9.283 -10.671) 14.627 ======================= Grid point 147 (66/282) ======================= q-point: ( 0.40 -0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -8.312 -0.000 1.589) 8.462 1.302 ( -0.862 -0.000 3.774) 3.871 1.421 ( 5.936 0.000 1.420) 6.103 1.805 ( -3.142 -0.000 0.547) 3.189 3.074 ( 0.850 0.000 0.215) 0.877 3.311 ( -4.923 -0.000 0.371) 4.937 3.486 ( 0.815 0.000 -4.277) 4.354 3.823 ( -5.795 -0.000 2.166) 6.187 4.028 ( 1.191 0.000 0.803) 1.436 4.543 ( 6.211 0.000 1.504) 6.390 5.000 ( 2.151 0.000 -1.963) 2.912 5.160 ( -0.239 -0.000 -0.543) 0.593 5.254 ( -5.213 -0.000 4.235) 6.717 5.341 ( -6.350 -0.000 3.561) 7.280 7.002 ( 2.728 0.000 4.992) 5.689 7.809 ( -15.810 -0.000 20.367) 25.783 8.705 ( 11.287 0.000 -14.778) 18.595 10.016 ( 2.557 0.000 6.964) 7.419 11.240 ( -3.060 -0.000 0.256) 3.071 11.700 ( -0.638 -0.000 -1.639) 1.759 13.681 ( -4.448 -0.000 -0.694) 4.501 14.487 ( 2.553 0.000 3.379) 4.235 15.841 ( 7.049 0.000 -2.243) 7.397 17.150 ( 8.127 0.000 1.955) 8.359 ======================= Grid point 149 (67/282) ======================= q-point: (-0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -4.444 1.999 6.504) 8.127 1.331 ( -0.940 2.035 7.494) 7.822 1.488 ( 3.014 0.532 -0.625) 3.123 1.773 ( -2.399 -0.856 0.675) 2.635 3.101 ( 2.050 1.136 3.047) 3.844 3.254 ( -4.399 0.193 0.980) 4.511 3.466 ( -0.096 -2.222 -3.550) 4.189 3.768 ( -2.576 -1.048 -3.565) 4.522 4.105 ( 1.639 -1.673 8.946) 9.248 4.582 ( 2.477 2.136 -3.098) 4.505 4.971 ( -0.350 2.461 -3.229) 4.075 5.141 ( 0.043 1.328 -1.351) 1.895 5.227 ( -4.745 -1.153 2.937) 5.698 5.320 ( -3.459 -1.817 3.081) 4.976 7.027 ( -1.671 1.676 1.444) 2.772 7.873 ( -12.001 0.025 33.389) 35.480 8.717 ( 10.893 -0.180 -14.468) 18.111 10.107 ( -0.001 0.994 11.043) 11.088 11.176 ( -2.710 1.146 -4.689) 5.535 11.650 ( -0.274 0.202 -7.962) 7.969 13.643 ( -2.042 1.986 4.541) 5.361 14.520 ( 0.478 2.729 3.914) 4.795 15.880 ( 3.988 2.603 -1.311) 4.940 17.227 ( 3.194 0.579 -0.423) 3.273 ======================= Grid point 150 (68/282) ======================= q-point: (-0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 0.423 3.985 9.219) 10.052 1.357 ( -0.998 3.738 9.724) 10.466 1.467 ( -0.761 1.754 -2.128) 2.861 1.785 ( -0.415 -1.815 1.071) 2.148 3.133 ( -1.706 3.030 7.925) 8.654 3.226 ( 1.317 -0.880 -2.415) 2.888 3.495 ( 3.081 -3.826 -1.890) 5.264 3.721 ( -2.576 -2.306 -4.623) 5.772 4.252 ( 2.001 -2.978 11.185) 11.746 4.494 ( -2.227 4.327 -6.752) 8.323 4.885 ( -0.775 4.397 -4.391) 6.262 5.108 ( 1.259 2.529 -2.286) 3.634 5.220 ( -3.165 -2.076 2.359) 4.460 5.343 ( -2.064 -2.713 3.187) 4.667 6.967 ( -5.473 2.568 3.130) 6.808 8.048 ( -10.127 1.435 37.544) 38.912 8.741 ( 8.449 -1.619 -10.184) 13.331 10.181 ( -1.665 2.583 13.220) 13.572 11.068 ( -2.472 1.425 -7.713) 8.224 11.554 ( 0.280 0.231 -12.598) 12.603 13.652 ( 0.101 4.359 8.544) 9.592 14.502 ( -1.658 4.642 4.292) 6.536 15.852 ( 1.298 5.903 -0.394) 6.057 17.204 ( -1.979 1.528 -3.500) 4.301 ======================= Grid point 151 (69/282) ======================= q-point: (-0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 2.203 6.238 5.657) 8.704 1.346 ( -5.154 5.462 6.743) 10.093 1.477 ( 4.679 -0.389 5.327) 7.100 1.805 ( -0.603 -1.087 0.241) 1.266 3.118 ( -4.322 3.269 7.779) 9.481 3.266 ( 6.371 -0.926 -3.636) 7.394 3.610 ( 6.836 -5.216 -1.345) 8.703 3.676 ( -3.509 -2.096 -1.876) 4.497 4.288 ( -3.724 4.426 -8.754) 10.492 4.452 ( 1.083 -3.380 11.562) 12.094 4.765 ( -0.640 5.807 -5.752) 8.199 5.065 ( 1.483 2.935 -3.962) 5.149 5.234 ( -2.120 -2.079 2.007) 3.583 5.393 ( -0.638 -2.946 4.091) 5.082 6.902 ( -6.387 2.115 6.876) 9.620 8.192 ( -9.086 3.941 28.356) 30.036 8.806 ( 1.982 -4.505 1.236) 5.074 10.229 ( -1.911 4.484 12.572) 13.484 10.955 ( -3.041 0.064 -7.062) 7.689 11.444 ( 1.682 0.363 -12.941) 13.055 13.668 ( 0.849 7.378 9.746) 12.254 14.433 ( -4.583 6.232 4.437) 8.919 15.762 ( -0.179 9.113 0.210) 9.117 17.079 ( -5.994 2.876 -6.593) 9.363 ======================= Grid point 152 (70/282) ======================= q-point: (-0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 4.713 6.295 3.632) 8.662 1.243 ( -7.557 5.623 5.543) 10.929 1.634 ( 7.210 -0.987 7.681) 10.580 1.801 ( -1.376 -0.555 -0.498) 1.565 3.090 ( -3.347 2.492 5.432) 6.850 3.337 ( 8.500 -0.453 -4.295) 9.535 3.610 ( -3.902 -2.085 -3.804) 5.835 3.800 ( 7.850 -3.810 4.220) 9.693 4.101 ( -2.356 3.388 -9.603) 10.452 4.604 ( -3.410 0.023 6.044) 6.940 4.641 ( 2.687 2.096 -0.884) 3.521 5.004 ( 0.917 2.394 -5.036) 5.651 5.247 ( -2.371 -1.434 2.208) 3.543 5.469 ( 1.149 -2.318 4.302) 5.020 6.877 ( -5.495 1.408 9.444) 11.017 8.213 ( -7.772 4.498 14.492) 17.048 8.904 ( -6.673 -5.866 10.503) 13.757 10.226 ( -1.458 6.764 6.160) 9.264 10.875 ( -4.710 -1.821 -1.128) 5.174 11.389 ( 3.518 -0.979 -6.747) 7.672 13.660 ( 1.708 8.747 8.530) 12.337 14.307 ( -7.585 6.663 3.701) 10.753 15.637 ( 0.789 10.795 0.283) 10.828 16.879 ( -7.089 4.102 -8.134) 11.543 ======================= Grid point 153 (71/282) ======================= q-point: (-0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -1.724 4.690 3.140) 5.902 1.156 ( 1.416 3.930 6.838) 8.013 1.760 ( 2.187 1.787 0.488) 2.866 1.795 ( 0.521 -2.363 2.358) 3.378 3.066 ( -2.225 1.300 2.904) 3.883 3.410 ( 8.999 0.307 -5.250) 10.423 3.554 ( -3.373 -1.012 -2.522) 4.332 3.906 ( 0.549 2.610 2.065) 3.373 4.074 ( 8.192 -5.141 -3.699) 10.354 4.475 ( -1.994 6.201 -4.625) 7.988 4.739 ( -2.159 -2.104 6.879) 7.511 4.959 ( 1.751 0.547 -2.884) 3.418 5.248 ( -2.925 -0.526 3.201) 4.368 5.543 ( 1.363 -0.748 3.708) 4.021 6.879 ( -4.459 2.208 9.386) 10.623 8.175 ( -7.017 1.030 8.635) 11.174 8.932 ( -12.387 -3.825 8.479) 15.491 10.115 ( 0.024 8.968 -5.595) 10.570 10.882 ( -4.982 -3.669 8.975) 10.901 11.437 ( 2.142 -2.993 2.192) 4.284 13.666 ( 4.131 5.254 5.817) 8.860 14.152 ( -8.538 4.375 1.624) 9.730 15.535 ( 4.090 9.793 -0.180) 10.614 16.681 ( -3.996 4.540 -6.573) 8.932 ======================= Grid point 159 (72/282) ======================= q-point: (-0.50 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -0.179 -0.000 10.607) 10.608 1.406 ( -1.304 -0.000 9.481) 9.570 1.480 ( -2.083 -0.000 -3.912) 4.432 1.761 ( 0.250 -0.000 1.875) 1.892 3.183 ( 2.441 -0.000 6.141) 6.608 3.220 ( -1.961 -0.000 0.779) 2.110 3.435 ( 3.186 -0.000 -4.092) 5.186 3.693 ( -2.334 -0.000 -4.103) 4.720 4.210 ( 0.675 -0.000 12.973) 12.991 4.552 ( -2.595 -0.000 -6.633) 7.123 4.946 ( -0.015 -0.000 -5.151) 5.151 5.140 ( 0.938 -0.000 -2.772) 2.926 5.190 ( -3.288 -0.000 2.592) 4.187 5.305 ( -1.518 -0.000 3.277) 3.611 7.000 ( -6.151 -0.000 2.611) 6.682 8.070 ( -9.419 -0.000 39.690) 40.792 8.720 ( 9.610 -0.000 -14.105) 17.068 10.214 ( -2.295 -0.000 14.779) 14.956 11.090 ( -1.772 -0.000 -9.662) 9.823 11.555 ( 0.272 -0.000 -12.917) 12.920 13.709 ( 0.866 -0.000 8.849) 8.891 14.561 ( -2.122 -0.000 4.286) 4.782 15.927 ( 1.934 -0.000 -0.478) 1.992 17.224 ( -1.924 -0.000 -2.950) 3.522 ======================= Grid point 161 (73/282) ======================= q-point: (-0.40 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 0.731 2.647 8.827) 9.244 1.393 ( -5.860 -1.187 -3.688) 7.025 1.477 ( 1.146 0.975 9.791) 9.906 1.793 ( 1.016 -0.089 1.864) 2.125 3.188 ( -4.285 1.362 5.401) 7.027 3.281 ( 6.909 1.961 1.872) 7.421 3.487 ( 7.224 -3.773 -4.752) 9.434 3.642 ( -2.266 -0.666 -1.148) 2.626 4.335 ( -1.163 -0.397 10.561) 10.632 4.419 ( -5.363 0.590 -5.356) 7.603 4.879 ( 0.485 2.716 -6.941) 7.469 5.112 ( -0.032 0.686 -4.012) 4.070 5.190 ( -1.118 -1.013 1.951) 2.466 5.336 ( -0.273 -1.303 4.320) 4.521 6.938 ( -8.427 0.719 6.431) 10.625 8.284 ( -9.905 2.504 37.451) 38.819 8.722 ( 6.432 -1.975 -10.532) 12.498 10.304 ( -3.900 1.426 16.309) 16.830 10.968 ( -1.167 0.543 -12.288) 12.355 11.445 ( 1.816 -0.110 -14.179) 14.295 13.805 ( 2.539 2.971 11.044) 11.715 14.543 ( -4.514 2.272 4.216) 6.582 15.920 ( -0.196 3.222 0.856) 3.339 17.127 ( -6.417 0.945 -5.398) 8.438 ======================= Grid point 162 (74/282) ======================= q-point: (-0.30 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 0.491 3.221 -0.031) 3.258 1.311 ( -8.522 -0.396 3.181) 9.105 1.599 ( 4.799 -0.694 8.641) 9.909 1.810 ( 0.094 0.753 1.175) 1.399 3.162 ( -3.133 2.298 4.604) 6.024 3.354 ( 7.748 2.287 0.058) 8.079 3.556 ( 1.507 -2.471 -5.908) 6.579 3.692 ( 5.941 -3.820 4.099) 8.167 4.194 ( -6.564 3.494 -8.782) 11.507 4.506 ( -1.693 -4.173 12.871) 13.636 4.770 ( 0.340 4.497 -8.142) 9.308 5.051 ( -1.255 1.165 -4.954) 5.242 5.211 ( -0.636 -1.110 1.921) 2.308 5.408 ( 1.233 -2.263 5.215) 5.818 6.893 ( -8.665 0.185 10.084) 13.297 8.367 ( -8.722 6.768 20.758) 23.511 8.767 ( -0.850 -5.166 1.954) 5.588 10.356 ( -4.124 3.336 12.770) 13.827 10.847 ( -1.724 -0.431 -9.435) 9.601 11.370 ( 3.549 -0.619 -10.877) 11.458 13.875 ( 2.552 7.079 11.079) 13.393 14.458 ( -7.542 4.675 3.841) 9.669 15.858 ( -1.784 6.410 2.148) 6.992 16.951 ( -8.999 1.730 -7.027) 11.548 ======================= Grid point 163 (75/282) ======================= q-point: (-0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -2.804 -0.404 -4.190) 5.057 1.245 ( -4.916 2.517 6.475) 8.510 1.737 ( 3.470 -1.666 5.109) 6.397 1.801 ( -0.192 1.467 0.595) 1.595 3.129 ( -2.524 2.861 3.492) 5.172 3.426 ( 8.189 1.296 -2.066) 8.544 3.534 ( -0.932 -0.481 -2.349) 2.572 3.889 ( 8.460 -4.992 4.063) 10.630 4.010 ( -4.085 1.529 -7.938) 9.058 4.603 ( -3.358 1.936 0.978) 3.998 4.675 ( 0.464 -1.011 2.087) 2.365 4.976 ( -1.325 0.771 -4.466) 4.722 5.232 ( -0.925 -0.556 2.822) 3.022 5.504 ( 1.692 -2.228 4.906) 5.647 6.892 ( -7.788 -0.715 12.270) 14.551 8.289 ( -8.192 7.169 8.769) 13.978 8.824 ( -6.817 -4.844 5.526) 10.024 10.311 ( -2.720 6.220 -0.216) 6.792 10.798 ( -3.582 -2.788 2.596) 5.229 11.371 ( 3.901 -2.224 -3.778) 5.868 13.886 ( 2.225 10.307 9.738) 14.353 14.300 ( -10.510 6.505 2.900) 12.696 15.758 ( -2.374 7.835 2.205) 8.479 16.757 ( -7.702 1.593 -6.149) 9.983 ======================= Grid point 164 (76/282) ======================= q-point: (-0.10 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -6.515 -0.547 -0.901) 6.599 1.247 ( -0.760 -0.432 2.787) 2.921 1.769 ( -1.020 2.184 1.671) 2.933 1.809 ( 0.549 -1.308 -1.926) 2.392 3.088 ( -2.333 2.623 2.403) 4.254 3.480 ( 5.800 0.067 -5.564) 8.037 3.515 ( 0.657 1.434 0.960) 1.847 3.921 ( -0.800 -0.189 -1.092) 1.367 4.094 ( 7.352 -5.834 0.766) 9.417 4.475 ( -1.712 5.006 -6.228) 8.172 4.738 ( -2.894 -1.319 5.241) 6.131 4.948 ( 0.381 -1.804 -0.359) 1.878 5.252 ( -1.237 0.290 4.440) 4.618 5.583 ( 0.916 -1.107 3.981) 4.233 6.912 ( -7.190 0.065 11.627) 13.671 8.176 ( -9.037 3.540 8.058) 12.615 8.794 ( -8.448 -2.844 -1.183) 8.992 10.151 ( -0.122 7.447 -9.640) 12.182 10.861 ( -4.487 -4.589 11.597) 13.254 11.444 ( 1.741 -3.492 2.759) 4.779 13.856 ( 1.479 9.976 7.357) 12.483 14.101 ( -9.949 5.249 1.242) 11.317 15.652 ( -2.044 5.700 0.439) 6.072 16.638 ( -1.707 1.092 -1.922) 2.793 ======================= Grid point 171 (77/282) ======================= q-point: (-0.40 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -6.966 -0.000 -6.044) 9.222 1.274 ( -2.975 -0.000 8.224) 8.746 1.596 ( 3.425 0.000 9.188) 9.805 1.821 ( 0.488 0.000 1.673) 1.743 3.189 ( -2.571 -0.000 3.097) 4.025 3.421 ( 6.786 0.000 4.094) 7.925 3.494 ( 7.419 0.000 -9.131) 11.766 3.641 ( 1.479 0.000 4.124) 4.381 4.250 ( -8.204 -0.000 -8.927) 12.124 4.439 ( -1.965 -0.000 14.061) 14.198 4.833 ( 0.125 0.000 -8.659) 8.660 5.062 ( -2.050 -0.000 -4.540) 4.981 5.199 ( 0.743 0.000 1.692) 1.848 5.374 ( 0.698 0.000 5.478) 5.522 6.895 ( -10.045 -0.000 10.193) 14.311 8.486 ( -12.539 -0.000 34.251) 36.474 8.673 ( 4.352 0.000 -11.912) 12.682 10.397 ( -5.752 -0.000 15.941) 16.947 10.844 ( -0.341 -0.000 -13.339) 13.343 11.360 ( 3.502 0.000 -12.081) 12.578 13.971 ( 3.785 0.000 12.027) 12.608 14.520 ( -6.772 -0.000 3.714) 7.723 15.943 ( -2.167 -0.000 3.180) 3.848 16.972 ( -9.862 -0.000 -6.998) 12.092 ======================= Grid point 172 (78/282) ======================= q-point: (-0.30 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -6.760 -1.213 -5.900) 9.054 1.278 ( -6.205 0.373 6.746) 9.173 1.714 ( 3.568 -0.292 5.772) 6.792 1.831 ( -0.401 0.716 1.490) 1.701 3.177 ( -1.455 0.801 1.255) 2.081 3.481 ( 6.884 2.214 -4.912) 8.742 3.530 ( 2.918 0.230 0.899) 3.062 3.762 ( 6.914 -3.833 3.965) 8.843 4.059 ( -7.686 1.464 -7.394) 10.765 4.546 ( -2.856 -2.458 12.937) 13.475 4.732 ( -0.866 2.118 -9.195) 9.475 4.988 ( -2.834 0.109 -4.414) 5.246 5.230 ( 1.317 0.270 2.321) 2.683 5.447 ( 0.881 -1.659 5.984) 6.272 6.870 ( -10.552 -0.635 13.400) 17.068 8.491 ( -8.619 7.992 10.609) 15.834 8.682 ( -4.680 -6.417 2.983) 8.484 10.417 ( -5.424 2.052 5.884) 8.261 10.751 ( -1.567 -0.892 -4.264) 4.630 11.329 ( 4.019 -0.935 -6.993) 8.119 14.097 ( 3.785 4.989 11.852) 13.405 14.430 ( -9.256 2.985 3.186) 10.234 15.917 ( -4.423 3.985 5.705) 8.246 16.767 ( -11.204 -0.351 -7.642) 13.567 ======================= Grid point 173 (79/282) ======================= q-point: (-0.20 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -7.355 -2.925 -5.348) 9.553 1.241 ( -7.094 -0.161 5.210) 8.803 1.775 ( -0.037 -0.973 -0.196) 0.993 1.823 ( -0.546 1.598 1.820) 2.483 3.152 ( -0.664 1.793 -0.297) 1.934 3.487 ( 4.970 0.718 -6.583) 8.279 3.566 ( 1.819 2.361 4.518) 5.412 3.898 ( -0.193 -1.867 -6.537) 6.801 3.965 ( 3.384 -3.583 4.710) 6.817 4.577 ( -3.616 2.769 -4.062) 6.103 4.674 ( -1.407 -2.803 6.027) 6.795 4.923 ( -1.908 -0.460 -3.014) 3.597 5.265 ( 1.312 0.835 3.627) 3.946 5.533 ( 0.367 -2.368 5.414) 5.920 6.880 ( -10.476 -1.835 15.531) 18.824 8.332 ( -9.335 7.834 4.381) 12.950 8.692 ( -7.688 -5.241 -0.623) 9.325 10.305 ( -3.090 4.377 -7.729) 9.404 10.763 ( -4.131 -2.893 8.796) 10.140 11.364 ( 3.024 -2.574 -0.808) 4.052 14.143 ( 3.058 10.322 10.494) 15.034 14.264 ( -11.507 6.348 2.990) 13.478 15.813 ( -8.166 7.399 4.695) 11.978 16.610 ( -7.000 -3.527 -3.857) 8.736 ======================= Grid point 174 (80/282) ======================= q-point: (-0.10 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -6.780 -5.043 -4.246) 9.457 1.192 ( -9.007 -1.578 4.173) 10.051 1.713 ( -5.434 -1.415 -9.213) 10.789 1.825 ( 0.575 1.978 3.734) 4.265 3.111 ( -0.544 2.687 -0.461) 2.780 3.479 ( 3.637 0.366 -5.506) 6.609 3.598 ( 1.239 2.646 5.069) 5.851 3.885 ( 1.547 -3.179 -2.193) 4.160 4.105 ( 2.363 -4.219 1.351) 5.021 4.450 ( -1.453 2.963 -5.754) 6.633 4.724 ( -3.580 -1.007 4.361) 5.732 4.922 ( 0.088 -3.231 0.910) 3.358 5.306 ( 0.874 1.521 5.540) 5.811 5.606 ( 0.113 -1.759 4.084) 4.448 6.904 ( -10.759 -1.217 14.540) 18.128 8.165 ( -13.230 4.270 9.384) 16.773 8.616 ( -4.778 -3.919 -9.732) 11.528 10.129 ( -1.009 4.838 -11.054) 12.108 10.852 ( -4.770 -4.669 12.657) 14.309 11.443 ( 1.077 -3.464 3.278) 4.889 14.037 ( -11.942 10.729 5.183) 16.870 14.111 ( 1.466 9.943 5.271) 11.349 15.633 ( -10.139 3.818 0.500) 10.846 16.628 ( 1.352 -4.394 3.519) 5.790 ======================= Grid point 182 (81/282) ======================= q-point: (-0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -8.098 -0.000 -5.113) 9.577 1.238 ( -9.035 -0.000 5.933) 10.809 1.762 ( -0.467 -0.000 -0.418) 0.627 1.844 ( -0.655 -0.000 2.284) 2.376 3.172 ( 0.311 0.000 -1.561) 1.592 3.502 ( 5.283 0.000 -6.068) 8.045 3.605 ( 3.111 0.000 0.303) 3.126 3.859 ( 5.927 0.000 5.142) 7.847 3.924 ( -6.171 -0.000 -3.357) 7.025 4.596 ( -4.282 -0.000 8.620) 9.625 4.651 ( -0.787 -0.000 -5.931) 5.983 4.916 ( -2.892 -0.000 -3.344) 4.422 5.282 ( 2.657 0.000 2.875) 3.915 5.495 ( -0.407 -0.000 6.536) 6.548 6.852 ( -11.964 -0.000 16.660) 20.511 8.528 ( 0.370 0.000 -10.558) 10.564 8.533 ( -17.446 -0.000 13.426) 22.014 10.361 ( -4.165 -0.000 -6.758) 7.938 10.726 ( -3.875 -0.000 7.421) 8.372 11.329 ( 3.345 0.000 -2.154) 3.978 14.291 ( 4.324 0.000 12.077) 12.827 14.349 ( -10.704 -0.000 2.699) 11.039 15.950 ( -6.756 -0.000 11.278) 13.147 16.527 ( -13.041 -0.000 -8.852) 15.762 ======================= Grid point 183 (82/282) ======================= q-point: (-0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -9.046 -1.979 -4.701) 10.385 1.160 ( -11.982 -0.851 6.009) 13.431 1.679 ( -7.100 -0.856 -8.715) 11.274 1.859 ( -0.009 0.672 3.403) 3.469 3.160 ( 2.030 0.950 -3.352) 4.033 3.509 ( 4.906 1.734 -5.604) 7.647 3.627 ( 0.516 -0.832 1.100) 1.472 3.849 ( -0.956 1.186 -0.048) 1.524 3.997 ( 2.442 -3.963 4.962) 6.804 4.508 ( -4.060 1.414 -5.742) 7.173 4.690 ( -1.221 -1.139 7.186) 7.377 4.864 ( -2.101 -1.268 -2.257) 3.334 5.345 ( 3.492 1.243 4.132) 5.551 5.552 ( -1.152 -1.789 6.062) 6.425 6.862 ( -12.972 -1.276 19.679) 23.605 8.310 ( -15.061 6.319 3.417) 16.687 8.492 ( -5.084 -5.606 -8.093) 11.080 10.217 ( -3.076 1.833 -11.418) 11.966 10.766 ( -5.253 -1.843 11.813) 13.059 11.376 ( 2.336 -1.514 2.039) 3.450 14.203 ( -11.398 3.839 2.471) 12.279 14.405 ( 3.566 7.384 11.567) 14.179 15.855 ( -13.073 13.258 9.135) 20.740 16.395 ( -7.817 -13.021 -1.357) 15.248 ======================= Grid point 184 (83/282) ======================= q-point: (-0.10 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -8.826 -5.395 -3.887) 11.050 1.067 ( -14.672 -2.486 7.693) 16.752 1.459 ( -12.801 -2.607 -15.812) 20.511 1.889 ( 0.999 1.002 3.928) 4.175 3.138 ( 2.467 2.326 -3.499) 4.872 3.489 ( 3.256 1.608 -5.219) 6.358 3.678 ( 0.396 -0.841 6.152) 6.222 3.865 ( 3.621 -1.481 -1.166) 4.082 4.070 ( -2.594 -2.288 0.531) 3.499 4.417 ( -1.465 0.278 -2.001) 2.496 4.704 ( -3.602 0.969 1.856) 4.167 4.878 ( -0.373 -4.661 0.595) 4.713 5.405 ( 2.362 2.709 5.699) 6.738 5.619 ( 0.463 -2.219 3.853) 4.470 6.878 ( -13.969 -0.201 18.581) 23.247 8.085 ( -22.577 2.063 14.664) 27.000 8.431 ( 2.050 -4.890 -13.216) 14.240 10.056 ( -1.876 2.120 -10.949) 11.309 10.842 ( -5.204 -4.009 11.968) 13.652 11.451 ( 1.302 -2.265 3.682) 4.515 14.019 ( -10.850 6.137 3.420) 12.926 14.366 ( -1.144 17.168 9.089) 19.460 15.534 ( -16.645 8.136 1.459) 18.584 16.596 ( 1.877 -14.324 10.072) 17.611 ======================= Grid point 193 (84/282) ======================= q-point: (-0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( -10.964 -0.000 -3.307) 11.452 1.030 ( -16.619 -0.000 7.981) 18.436 1.421 ( -14.581 -0.000 -15.972) 21.626 1.899 ( 0.470 0.000 4.017) 4.045 3.169 ( 4.268 0.000 -5.526) 6.982 3.556 ( 6.142 0.000 -4.605) 7.677 3.594 ( -1.265 -0.000 -1.599) 2.039 3.885 ( 0.900 0.000 4.794) 4.877 4.020 ( -1.701 -0.000 4.106) 4.445 4.423 ( -4.035 -0.000 -2.606) 4.804 4.737 ( 0.101 0.000 5.303) 5.303 4.794 ( -3.121 -0.000 -3.494) 4.685 5.455 ( 6.611 0.000 3.473) 7.468 5.571 ( -2.385 -0.000 6.463) 6.889 6.874 ( -14.597 -0.000 24.428) 28.457 8.124 ( -24.679 -0.000 8.335) 26.048 8.352 ( 0.667 0.000 -10.094) 10.116 10.084 ( -2.903 -0.000 -11.813) 12.164 10.789 ( -5.658 -0.000 11.810) 13.095 11.421 ( 2.101 0.000 3.590) 4.159 14.102 ( -11.479 -0.000 2.776) 11.809 14.608 ( 4.768 0.000 10.123) 11.190 16.032 ( -12.434 -0.000 -8.920) 15.303 16.040 ( -11.430 -0.000 27.666) 29.934 ======================= Grid point 194 (85/282) ======================= q-point: (-0.10 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( -11.200 -3.998 -1.091) 11.942 0.894 ( -20.353 -2.838 12.165) 23.880 1.058 ( -19.366 -2.920 -18.816) 27.159 1.940 ( 0.593 0.119 3.532) 3.583 3.167 ( 5.230 1.379 -6.574) 8.513 3.512 ( 1.186 3.817 -3.698) 5.445 3.673 ( 3.729 -7.256 -0.066) 8.159 3.940 ( 3.971 2.519 3.822) 6.059 3.995 ( -6.020 -0.562 -0.656) 6.082 4.385 ( -3.481 -1.492 3.551) 5.191 4.680 ( -4.199 2.871 -3.698) 6.288 4.815 ( 0.081 -4.618 0.713) 4.674 5.526 ( 3.529 4.209 2.366) 5.981 5.629 ( 2.373 -2.874 1.288) 3.943 6.878 ( -15.043 2.439 18.796) 24.198 7.988 ( -27.116 1.418 44.103) 51.791 8.320 ( 4.273 -5.708 -7.205) 10.136 9.948 ( -1.853 0.112 -10.811) 10.969 10.834 ( -5.192 -2.496 10.944) 12.367 11.482 ( 1.696 -0.793 2.761) 3.336 13.972 ( -9.867 2.436 3.435) 10.729 14.660 ( 1.062 15.342 8.592) 17.616 15.504 ( -20.791 25.605 3.342) 33.152 16.491 ( 1.058 -27.061 22.875) 35.450 ======================= Grid point 204 (86/282) ======================= q-point: (-0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.307 ( -12.757 -0.000 1.983) 12.910 0.592 ( -23.611 -0.000 -13.871) 27.384 0.734 ( -24.294 -0.000 21.140) 32.203 1.967 ( -0.426 -0.000 2.104) 2.147 3.188 ( 7.239 0.000 -8.568) 11.217 3.523 ( -2.827 -0.000 -0.320) 2.846 3.660 ( 8.944 0.000 -5.103) 10.297 3.887 ( -7.452 -0.000 -2.713) 7.930 4.060 ( 3.461 0.000 6.791) 7.622 4.358 ( -6.031 -0.000 6.870) 9.141 4.568 ( -7.047 -0.000 -8.928) 11.374 4.807 ( 1.320 0.000 1.166) 1.761 5.604 ( 7.163 0.000 -15.507) 17.082 5.612 ( -2.606 -0.000 5.135) 5.759 6.821 ( -14.121 -0.000 6.642) 15.605 8.228 ( 3.630 0.000 -9.730) 10.385 8.626 ( 5.990 0.000 139.901) 140.029 9.831 ( -0.602 -0.000 -11.490) 11.506 10.844 ( -5.229 -0.000 10.414) 11.653 11.513 ( 1.470 0.000 0.247) 1.491 13.896 ( -8.302 -0.000 3.306) 8.936 14.848 ( 3.873 0.000 2.689) 4.715 15.648 ( -6.385 -0.000 -4.775) 7.973 16.515 ( 1.173 0.000 42.297) 42.313 ======================= Grid point 205 (87/282) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 0.927 0.000 15.427) 15.455 0.966 ( 4.209 0.000 19.971) 20.410 1.490 ( -5.934 -0.000 25.295) 25.982 1.872 ( -2.896 -0.000 -3.527) 4.564 3.041 ( 9.598 0.000 -10.004) 13.864 3.391 ( -1.458 -0.000 -10.552) 10.652 3.408 ( -1.978 -0.000 -1.976) 2.795 3.787 ( 9.193 0.000 -6.443) 11.226 4.067 ( -8.173 -0.000 -0.212) 8.176 4.424 ( -7.031 -0.000 5.751) 9.083 4.539 ( 6.666 0.000 6.339) 9.199 4.925 ( -1.292 -0.000 3.998) 4.201 5.369 ( 0.212 0.000 -0.596) 0.633 5.677 ( -5.994 -0.000 4.753) 7.650 6.845 ( -9.678 -0.000 10.220) 14.075 7.963 ( 13.015 0.000 -14.337) 19.364 9.422 ( 2.091 0.000 -8.330) 8.589 10.900 ( -6.803 -0.000 -23.394) 24.363 11.144 ( -4.021 -0.000 12.758) 13.377 12.938 ( 55.354 0.000 3.399) 55.458 13.882 ( -4.504 -0.000 3.835) 5.915 14.084 (-110.007 -0.000 -0.187) 110.007 14.852 ( -6.650 -0.000 -1.466) 6.810 15.637 ( 9.228 0.000 0.382) 9.236 ======================= Grid point 206 (88/282) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 3.908 -2.671 14.865) 15.600 1.186 ( 0.752 -1.739 16.817) 16.923 1.602 ( -2.147 1.995 13.441) 13.757 1.821 ( -1.757 -1.665 -1.898) 3.076 3.082 ( 9.638 -0.003 -9.156) 13.294 3.225 ( -0.085 5.554 -7.722) 9.512 3.447 ( -2.018 -9.225 -4.678) 10.538 3.853 ( 11.450 0.319 -8.949) 14.536 3.993 ( -4.749 2.757 6.039) 8.163 4.409 ( -5.135 -1.617 6.012) 8.071 4.680 ( 7.021 -1.059 4.665) 8.496 4.917 ( -4.112 0.485 2.696) 4.941 5.363 ( -1.229 0.348 0.948) 1.591 5.644 ( -5.424 0.386 5.396) 7.661 6.836 ( -7.876 -2.396 10.150) 13.069 8.026 ( 14.729 -0.584 -13.097) 19.719 9.410 ( 4.411 -1.584 -6.360) 7.900 10.483 ( -26.812 3.201 -16.397) 31.591 11.203 ( -4.271 1.635 14.383) 15.093 12.721 ( -75.326 25.807 27.943) 84.385 13.447 ( 31.287 7.696 -0.430) 32.222 13.938 ( 1.897 -6.824 1.412) 7.222 14.842 ( 1.239 -5.785 -2.873) 6.577 15.922 ( 9.380 -18.812 -3.980) 21.395 ======================= Grid point 207 (89/282) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 4.081 -4.190 12.249) 13.574 1.280 ( -6.204 2.155 13.601) 15.103 1.651 ( 2.259 -0.666 1.246) 2.664 1.830 ( -0.764 -1.983 0.197) 2.134 3.088 ( 1.777 2.759 -3.482) 4.785 3.171 ( 9.453 -0.555 -8.822) 12.942 3.484 ( -2.594 -7.726 -5.386) 9.768 3.896 ( 8.055 1.192 -7.696) 11.205 4.000 ( 2.043 2.689 7.804) 8.503 4.417 ( -4.059 -0.599 4.791) 6.308 4.825 ( 4.672 -1.876 1.514) 5.257 4.869 ( -3.075 -0.202 3.031) 4.323 5.347 ( -2.283 0.697 2.343) 3.345 5.631 ( -3.961 0.188 6.363) 7.498 6.883 ( -6.711 -5.101 10.345) 13.344 8.106 ( 13.917 0.220 -11.769) 18.227 9.435 ( 0.993 0.498 -1.560) 1.915 9.941 ( -33.971 0.348 -3.806) 34.186 11.246 ( -4.826 3.181 15.294) 16.350 12.040 ( -33.034 14.293 23.862) 43.185 13.631 ( 13.957 6.256 1.754) 15.396 14.061 ( 2.388 -4.773 -1.053) 5.440 14.985 ( 8.442 -10.457 -2.316) 13.638 16.207 ( 8.970 -13.893 -5.603) 17.460 ======================= Grid point 208 (90/282) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -2.805 -1.883 6.835) 7.624 1.299 ( -0.887 1.006 10.649) 10.733 1.677 ( -0.099 -1.877 -3.569) 4.034 1.831 ( -0.898 -0.323 -0.988) 1.374 3.062 ( 1.496 0.568 -1.892) 2.478 3.260 ( 9.283 -2.615 -4.145) 10.497 3.477 ( -2.500 -3.558 -4.201) 6.047 3.916 ( 6.248 1.069 -4.689) 7.885 4.083 ( 5.485 1.159 3.522) 6.621 4.399 ( -3.877 1.075 3.240) 5.166 4.784 ( -4.626 -0.691 -0.849) 4.754 4.983 ( 5.153 -1.458 3.610) 6.458 5.336 ( -1.898 0.728 3.638) 4.168 5.648 ( -2.772 -0.348 6.545) 7.116 6.966 ( -6.960 -6.759 10.699) 14.443 8.161 ( 11.666 1.404 -10.265) 15.602 9.265 ( -26.487 5.090 10.282) 28.865 9.715 ( -2.783 -7.529 -6.770) 10.501 11.267 ( -5.291 4.128 14.568) 16.039 11.801 ( -13.299 7.516 15.011) 21.417 13.727 ( 6.344 2.122 3.450) 7.527 14.081 ( -3.906 -2.114 -0.745) 4.504 15.244 ( 11.110 -11.077 -1.247) 15.739 16.404 ( 7.918 -7.512 -4.103) 11.660 ======================= Grid point 209 (91/282) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -4.249 1.285 3.139) 5.437 1.364 ( -1.859 1.723 6.183) 6.682 1.635 ( -3.060 -2.287 -6.787) 7.789 1.812 ( -0.964 -0.260 0.335) 1.053 3.065 ( 0.618 -0.774 -1.617) 1.897 3.379 ( 5.520 -2.525 -0.721) 6.112 3.465 ( 0.554 -2.244 -0.541) 2.374 3.937 ( 5.654 1.848 -4.447) 7.427 4.157 ( 4.963 0.006 -0.248) 4.969 4.345 ( -5.201 1.710 1.543) 5.688 4.753 ( -1.125 -1.408 -0.618) 1.905 5.065 ( 2.262 0.779 3.197) 3.993 5.347 ( -0.383 0.656 4.108) 4.178 5.675 ( -2.737 -0.710 5.608) 6.281 7.050 ( -8.709 -6.860 10.844) 15.508 8.199 ( 10.753 1.431 -8.809) 13.974 8.957 ( -29.564 1.947 13.952) 32.749 9.768 ( 4.315 -5.158 -5.654) 8.786 11.265 ( -5.215 4.513 12.637) 14.397 11.711 ( -6.439 4.974 8.908) 12.064 13.808 ( -0.230 -3.120 4.518) 5.496 14.037 ( -4.873 -1.007 1.019) 5.080 15.474 ( 6.537 -7.352 -1.053) 9.894 16.553 ( 8.693 -3.529 -0.389) 9.390 ======================= Grid point 210 (92/282) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -2.186 6.033 0.893) 6.478 1.313 ( -8.050 1.111 4.010) 9.062 1.520 ( -7.312 0.346 -7.723) 10.641 1.842 ( 0.759 -2.145 2.577) 3.437 3.065 ( 0.255 -0.900 -1.769) 2.002 3.406 ( 1.234 1.181 -1.575) 2.324 3.577 ( 3.477 -5.519 4.765) 8.078 3.927 ( 4.622 3.481 -5.151) 7.747 4.190 ( -1.504 0.988 -0.825) 1.979 4.280 ( -0.281 -0.718 -0.946) 1.221 4.761 ( 0.227 -0.346 -0.416) 0.587 5.080 ( -0.483 2.671 2.589) 3.751 5.379 ( 1.440 0.407 2.788) 3.164 5.690 ( -3.369 -0.813 4.500) 5.680 7.098 ( -11.332 -5.648 10.728) 16.595 8.244 ( 12.139 1.326 -12.164) 17.236 8.730 ( -28.621 -0.140 24.314) 37.555 9.829 ( 4.299 -2.006 -3.997) 6.203 11.241 ( -5.383 4.606 10.212) 12.429 11.647 ( -4.062 4.015 4.275) 7.134 13.876 ( -9.208 -9.641 6.191) 14.699 14.029 ( -0.143 -1.138 2.331) 2.598 15.558 ( -0.323 -1.508 -1.446) 2.114 16.723 ( 10.343 -1.839 3.294) 11.010 ======================= Grid point 211 (93/282) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -3.146 9.785 2.855) 10.668 1.188 ( -11.612 0.834 -7.316) 13.750 1.353 ( -10.873 2.506 7.167) 13.262 1.909 ( 1.360 -2.446 2.098) 3.498 3.067 ( 1.088 -0.328 -1.577) 1.944 3.375 ( 0.091 1.269 -3.509) 3.733 3.748 ( 3.707 -5.769 7.302) 10.017 3.881 ( 3.823 4.136 -6.317) 8.463 4.085 ( -6.277 2.784 -1.802) 7.099 4.342 ( 3.596 -3.442 -0.266) 4.985 4.740 ( -1.931 1.773 -0.284) 2.637 5.032 ( -2.447 4.072 0.666) 4.797 5.413 ( 2.376 0.063 -0.632) 2.460 5.694 ( -3.883 -1.105 4.393) 5.967 7.092 ( -13.507 -3.901 10.455) 17.520 8.206 ( 6.817 3.041 -17.982) 19.469 8.746 ( -17.955 -5.035 42.620) 46.521 9.854 ( 3.331 1.426 -2.209) 4.243 11.192 ( -5.870 4.436 8.206) 11.021 11.582 ( -2.425 2.884 0.377) 3.787 13.936 ( -12.627 -11.632 9.234) 19.494 14.093 ( -1.418 -6.605 2.053) 7.061 15.498 ( -4.904 3.074 -0.958) 5.866 16.898 ( 9.399 0.315 3.819) 10.150 ======================= Grid point 212 (94/282) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -3.010 10.965 5.520) 12.640 0.892 ( -16.354 4.875 -4.542) 17.659 1.299 ( -12.047 1.637 16.456) 20.460 1.963 ( 0.492 -1.790 0.792) 2.018 3.063 ( 1.459 1.276 -2.121) 2.873 3.333 ( 1.536 -0.865 -6.177) 6.424 3.810 ( 3.626 5.020 -7.375) 9.630 3.944 ( 2.835 -3.852 6.884) 8.382 3.952 ( -4.542 0.776 -0.540) 4.640 4.415 ( -0.091 -3.852 -0.705) 3.918 4.666 ( -4.282 3.655 1.103) 5.737 4.937 ( -2.741 4.380 -1.055) 5.274 5.418 ( 1.952 0.118 -4.329) 4.750 5.701 ( -4.316 -1.527 5.280) 6.988 7.041 ( -14.063 -1.938 10.046) 17.391 8.083 ( 4.348 2.933 -14.765) 15.669 9.144 ( -2.398 -13.478 48.097) 50.007 9.860 ( 3.518 3.827 5.845) 7.822 11.139 ( -4.885 3.611 7.972) 10.023 11.518 ( -1.352 1.369 -3.330) 3.846 13.999 ( -9.203 -6.072 9.790) 14.745 14.192 ( -12.500 -19.848 3.925) 23.782 15.357 ( -7.836 5.101 -0.016) 9.350 16.994 ( 5.766 3.251 -0.840) 6.672 ======================= Grid point 213 (95/282) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( -10.691 8.487 3.731) 14.151 0.728 ( -5.051 8.240 14.985) 17.831 1.288 ( -13.499 1.300 23.214) 26.885 1.973 ( -1.348 -0.804 -1.030) 1.877 3.037 ( 3.107 2.039 -4.906) 6.155 3.338 ( 3.098 -3.880 -6.750) 8.379 3.716 ( 5.739 8.742 -7.953) 13.138 3.823 ( -7.415 -0.614 -2.916) 7.992 4.153 ( 3.884 -5.065 9.625) 11.548 4.383 ( -5.985 -1.446 -5.805) 8.462 4.579 ( -5.300 4.166 4.737) 8.239 4.870 ( 0.018 2.176 0.756) 2.304 5.393 ( 1.221 0.144 -4.639) 4.799 5.710 ( -4.876 -1.452 5.551) 7.530 6.967 ( -12.977 -0.072 10.031) 16.402 7.995 ( 6.920 2.169 -14.253) 15.992 9.544 ( 1.339 -4.478 -1.564) 4.928 10.301 ( 23.341 -16.913 49.120) 56.953 11.132 ( -0.438 3.338 8.605) 9.241 11.477 ( 0.906 -1.977 -0.834) 2.329 14.002 ( -6.668 1.042 6.530) 9.391 14.367 ( -24.713 -37.495 7.847) 45.587 15.185 ( -11.195 2.731 0.963) 11.563 16.883 ( -3.715 10.083 -15.207) 18.620 ======================= Grid point 214 (96/282) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( -5.322 3.793 13.494) 14.993 0.774 ( 1.702 5.890 20.887) 21.768 1.350 ( -10.863 -0.129 28.105) 30.131 1.936 ( -2.650 -0.184 -2.633) 3.740 3.021 ( 6.793 1.021 -8.144) 10.655 3.372 ( 0.558 -6.213 -6.234) 8.819 3.581 ( 1.790 9.821 -7.409) 12.432 3.755 ( 0.731 -1.080 -3.973) 4.181 4.202 ( -11.073 -1.999 -3.365) 11.744 4.371 ( 6.017 -1.799 6.249) 8.860 4.500 ( -5.903 3.688 5.354) 8.781 4.889 ( 0.890 0.080 3.633) 3.741 5.374 ( 0.948 -0.028 -2.566) 2.735 5.705 ( -5.617 -0.770 5.022) 7.574 6.896 ( -11.324 0.764 10.249) 15.292 7.953 ( 9.987 1.254 -14.768) 17.872 9.495 ( 0.346 0.927 -9.022) 9.077 10.989 ( 5.560 -9.721 0.528) 11.211 11.143 ( 0.998 3.746 -3.259) 5.065 11.983 ( 47.660 -14.898 27.985) 57.241 13.937 ( -6.895 2.320 4.797) 8.714 14.600 ( -35.458 -47.888 0.777) 59.591 15.039 ( -22.625 -11.223 2.466) 25.376 16.223 ( -22.518 38.824 -26.343) 52.041 ======================= Grid point 216 (97/282) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 4.074 0.000 13.168) 13.784 1.318 ( -2.331 -0.000 14.868) 15.049 1.672 ( -1.507 -0.000 3.828) 4.114 1.768 ( -0.760 -0.000 -1.359) 1.557 3.137 ( 11.271 0.000 -9.092) 14.481 3.224 ( 3.048 0.000 -8.213) 8.760 3.308 ( -2.358 -0.000 -3.354) 4.100 3.908 ( 10.011 0.000 -10.139) 14.248 4.049 ( -1.750 -0.000 10.626) 10.770 4.404 ( -3.393 -0.000 7.000) 7.779 4.797 ( 6.780 0.000 3.789) 7.767 4.868 ( -6.112 -0.000 0.763) 6.160 5.356 ( -2.411 -0.000 2.421) 3.417 5.633 ( -4.676 -0.000 6.447) 7.965 6.813 ( -6.497 -0.000 9.323) 11.364 8.111 ( 16.231 0.000 -12.788) 20.664 9.430 ( 7.391 0.000 -4.315) 8.558 9.956 ( -41.872 -0.000 -3.705) 42.036 11.289 ( -5.088 -0.000 15.702) 16.506 12.240 ( -49.439 -0.000 24.457) 55.157 13.865 ( 23.797 0.000 -11.527) 26.442 13.914 ( 3.161 0.000 2.274) 3.894 14.842 ( 9.445 0.000 -3.254) 9.990 15.976 ( 14.704 0.000 1.555) 14.786 ======================= Grid point 217 (98/282) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 2.149 -1.490 9.868) 10.209 1.356 ( -6.399 2.448 11.824) 13.665 1.652 ( 0.185 0.069 -3.972) 3.977 1.786 ( -0.040 -2.507 0.259) 2.521 3.144 ( 3.262 5.741 -4.287) 7.872 3.218 ( 9.661 -0.766 -6.506) 11.673 3.327 ( 0.533 -7.459 -5.214) 9.117 3.931 ( 7.302 0.121 -8.855) 11.478 4.126 ( 0.214 1.667 10.810) 10.940 4.419 ( -3.624 0.270 5.331) 6.452 4.786 ( -4.575 0.648 -1.089) 4.747 4.927 ( 6.164 -2.076 3.238) 7.265 5.349 ( -2.597 0.287 3.978) 4.759 5.639 ( -4.086 -0.247 7.093) 8.190 6.837 ( -5.339 -2.847 9.028) 10.868 8.197 ( 15.349 0.951 -12.881) 20.060 9.383 ( -34.255 4.088 7.629) 35.332 9.550 ( -0.025 -5.164 -2.001) 5.538 11.344 ( -5.860 1.667 14.735) 15.945 11.943 ( -23.117 3.098 16.048) 28.311 13.887 ( 10.031 8.202 -4.024) 13.568 14.037 ( 3.818 -2.604 -2.176) 5.108 15.021 ( 16.240 -5.372 -3.192) 17.400 16.221 ( 14.559 -5.232 0.469) 15.478 ======================= Grid point 218 (99/282) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -2.131 1.571 6.315) 6.847 1.373 ( -2.599 -0.853 8.293) 8.732 1.595 ( -2.868 -0.717 -6.804) 7.418 1.809 ( -0.034 -0.371 0.415) 0.558 3.087 ( 1.407 2.892 -2.861) 4.304 3.307 ( 6.922 -2.296 -1.854) 7.525 3.386 ( 2.856 -4.709 -4.099) 6.866 3.948 ( 5.874 -0.583 -6.727) 8.950 4.186 ( 0.454 2.517 6.605) 7.083 4.385 ( -6.572 0.603 3.429) 7.437 4.740 ( 0.948 0.457 -1.697) 1.997 5.048 ( 4.434 -1.758 2.265) 5.281 5.358 ( -1.780 0.243 5.151) 5.455 5.654 ( -4.330 -0.797 6.547) 7.889 6.900 ( -5.096 -4.488 9.133) 11.381 8.248 ( 13.465 1.959 -12.756) 18.651 8.979 ( -36.302 0.005 14.007) 38.911 9.663 ( 7.245 -2.913 -0.031) 7.809 11.358 ( -5.837 2.621 11.802) 13.425 11.812 ( -10.589 2.795 9.290) 14.361 13.855 ( 2.623 4.951 -3.219) 6.462 14.069 ( 2.991 2.837 1.857) 4.521 15.286 ( 14.978 -6.787 -2.296) 16.603 16.461 ( 13.494 -3.418 0.666) 13.937 ======================= Grid point 219 (100/282) ======================= q-point: (-0.60 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -0.375 2.510 4.134) 4.850 1.385 ( -6.090 2.676 3.993) 7.758 1.494 ( -4.379 -2.007 -6.241) 7.884 1.812 ( 0.133 0.145 1.222) 1.238 3.054 ( 0.398 0.476 -2.294) 2.376 3.401 ( 2.433 -1.665 0.195) 2.954 3.456 ( 4.025 -4.079 0.369) 5.743 3.971 ( 4.233 -0.015 -4.861) 6.446 4.177 ( -2.987 0.341 -0.407) 3.034 4.327 ( -3.511 2.148 3.693) 5.530 4.760 ( 4.544 0.466 -1.755) 4.893 5.114 ( 1.657 0.073 1.209) 2.053 5.384 ( -1.049 0.002 4.749) 4.863 5.659 ( -5.095 -1.439 5.129) 7.372 6.970 ( -5.809 -4.163 9.406) 11.813 8.280 ( 13.293 1.470 -13.649) 19.109 8.705 ( -32.234 -1.694 20.875) 38.440 9.787 ( 6.202 -1.162 2.290) 6.712 11.340 ( -5.422 2.901 8.199) 10.249 11.735 ( -5.536 2.812 3.749) 7.253 13.785 ( -4.213 1.347 -0.051) 4.424 14.089 ( 4.598 5.278 3.337) 7.755 15.494 ( 9.090 -3.581 -1.698) 9.917 16.675 ( 13.082 -1.637 2.561) 13.430 ======================= Grid point 220 (101/282) ======================= q-point: (-0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 2.778 5.050 0.900) 5.834 1.230 ( -11.125 4.128 -0.263) 11.869 1.414 ( -6.527 1.855 2.059) 7.091 1.844 ( 0.787 -2.121 1.645) 2.797 3.049 ( 1.327 -0.831 -1.748) 2.347 3.403 ( -2.082 0.631 -0.363) 2.206 3.599 ( 3.906 -5.866 4.329) 8.271 3.943 ( -1.430 2.071 -2.707) 3.696 4.131 ( -1.214 -2.021 -4.994) 5.523 4.313 ( 1.324 2.871 3.147) 4.461 4.785 ( 3.223 1.692 -1.914) 4.113 5.110 ( -0.931 1.989 -0.209) 2.206 5.407 ( -0.927 -0.470 2.297) 2.521 5.653 ( -5.581 -2.084 4.080) 7.220 7.013 ( -7.313 -2.241 9.921) 12.527 8.275 ( 9.981 2.301 -19.053) 21.632 8.614 ( -24.482 -5.108 35.486) 43.413 9.885 ( 4.615 1.169 4.068) 6.262 11.290 ( -5.681 2.984 5.109) 8.202 11.657 ( -2.995 2.829 -1.102) 4.265 13.731 ( -8.010 -2.522 4.380) 9.472 14.112 ( 4.479 5.151 3.386) 7.619 15.570 ( 3.286 1.800 -1.141) 3.916 16.879 ( 11.607 -0.990 3.234) 12.090 ======================= Grid point 221 (102/282) ======================= q-point: (-0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -12.064 5.240 -0.058) 13.153 1.067 ( 3.194 10.362 0.002) 10.843 1.345 ( -8.829 2.395 11.734) 14.878 1.900 ( 0.614 -2.977 0.711) 3.122 3.074 ( 2.656 -0.658 -1.174) 2.978 3.341 ( -3.709 1.178 -1.683) 4.240 3.741 ( -0.951 -6.456 0.303) 6.533 3.888 ( -0.482 0.016 2.517) 2.563 4.090 ( 3.205 4.000 -5.253) 7.339 4.334 ( 0.483 -0.681 1.021) 1.319 4.758 ( -0.228 3.442 -0.954) 3.579 5.041 ( -2.449 3.516 -2.092) 4.768 5.408 ( -1.015 -0.831 -1.079) 1.699 5.648 ( -5.572 -2.679 4.398) 7.587 7.014 ( -9.079 -0.083 10.845) 14.144 8.167 ( 3.990 3.442 -14.035) 14.991 8.832 ( -11.851 -10.923 41.136) 44.181 9.948 ( 2.868 3.301 6.326) 7.690 11.219 ( -5.707 2.401 4.095) 7.423 11.567 ( -1.346 2.325 -5.651) 6.257 13.722 ( -11.731 -6.537 8.757) 16.032 14.127 ( 2.780 4.799 3.355) 6.481 15.525 ( -0.675 6.595 -0.225) 6.634 17.028 ( 7.595 0.338 0.183) 7.604 ======================= Grid point 222 (103/282) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -8.937 8.794 3.372) 12.984 0.993 ( 2.748 11.507 7.591) 14.057 1.325 ( -10.148 1.718 16.631) 19.558 1.934 ( -0.743 -2.303 -0.966) 2.606 3.093 ( 1.783 1.734 -0.441) 2.526 3.276 ( -0.592 -1.013 -5.053) 5.188 3.723 ( -3.774 -3.526 -4.702) 6.984 3.954 ( 0.272 1.092 -2.024) 2.315 4.059 ( 5.228 2.535 3.441) 6.753 4.340 ( -1.372 -1.453 -1.420) 2.451 4.686 ( -3.184 4.186 1.035) 5.360 4.945 ( -1.698 3.514 -1.690) 4.253 5.387 ( -0.832 -0.721 -2.676) 2.893 5.655 ( -5.422 -2.888 5.080) 7.972 6.981 ( -9.942 1.407 11.712) 15.427 8.070 ( 5.923 3.558 -12.059) 13.898 9.263 ( -4.006 -15.971 33.150) 37.014 10.046 ( 1.564 -1.709 20.503) 20.633 11.179 ( -3.575 0.447 5.846) 6.867 11.465 ( -0.871 1.043 -8.723) 8.828 13.734 ( -18.762 -10.367 12.585) 24.857 14.112 ( -0.025 5.699 3.954) 6.936 15.391 ( -3.700 10.041 0.375) 10.707 17.038 ( 1.581 3.661 -7.565) 8.551 ======================= Grid point 223 (104/282) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -4.451 9.650 9.754) 14.425 0.997 ( 4.206 10.300 14.261) 18.087 1.348 ( -9.436 0.193 20.996) 23.020 1.921 ( -1.987 -1.136 -2.597) 3.461 3.071 ( 2.375 2.868 -2.461) 4.463 3.257 ( 0.874 -3.141 -7.159) 7.866 3.703 ( 0.353 -2.825 -3.458) 4.479 3.842 ( 2.840 9.568 -7.233) 12.325 4.098 ( -8.971 -4.921 -0.154) 10.233 4.370 ( 6.376 1.003 3.414) 7.302 4.598 ( -4.523 3.828 2.451) 6.412 4.902 ( -0.214 1.253 1.643) 2.077 5.368 ( -0.243 -0.598 -1.808) 1.919 5.665 ( -5.567 -2.387 5.092) 7.913 6.936 ( -9.563 2.427 11.825) 15.400 8.012 ( 8.723 3.284 -12.621) 15.690 9.500 ( 0.021 -2.575 -0.267) 2.589 10.531 ( 0.114 -24.198 32.529) 40.542 11.198 ( -1.141 0.125 -2.668) 2.904 11.490 ( 4.820 -13.137 14.484) 20.140 13.693 ( -32.305 -13.252 15.864) 38.353 14.057 ( -1.951 6.953 5.203) 8.901 15.194 ( -5.505 11.489 0.010) 12.740 16.806 ( -4.998 12.678 -18.168) 22.711 ======================= Grid point 224 (105/282) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 0.436 6.092 14.115) 15.380 1.072 ( 2.550 7.193 17.050) 18.680 1.459 ( -4.602 -1.744 21.042) 21.610 1.876 ( -1.988 0.029 -2.851) 3.475 3.058 ( 6.193 1.510 -6.344) 8.994 3.238 ( -0.739 -4.257 -7.573) 8.719 3.640 ( -2.645 9.177 -3.726) 10.252 3.777 ( 10.280 -0.062 -7.999) 13.026 4.015 ( -9.485 -3.970 0.107) 10.283 4.449 ( -1.491 1.994 4.056) 4.760 4.569 ( 4.044 1.996 5.198) 6.881 4.916 ( -1.395 -0.450 3.397) 3.700 5.363 ( -0.212 -0.533 -0.417) 0.710 5.660 ( -5.747 -1.348 4.952) 7.706 6.885 ( -8.782 3.023 11.175) 14.530 7.991 ( 11.660 2.190 -13.257) 17.790 9.459 ( 1.639 2.260 -6.774) 7.327 10.785 ( -10.922 -10.459 -10.334) 18.316 11.135 ( -4.125 -0.542 5.825) 7.158 12.295 ( 9.882 -48.695 28.761) 57.411 13.478 ( -44.534 -6.625 18.533) 48.689 13.993 ( -1.814 6.121 4.798) 7.986 14.984 ( -3.887 10.058 -1.476) 10.883 16.305 ( -3.485 26.726 -18.442) 32.658 ======================= Grid point 227 (106/282) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 1.875 0.000 6.921) 7.171 1.358 ( -8.571 -0.000 8.767) 12.261 1.587 ( -2.132 -0.000 -6.954) 7.273 1.799 ( 1.777 0.000 2.021) 2.691 3.176 ( -2.356 -0.000 -4.251) 4.860 3.257 ( 7.447 0.000 -4.590) 8.748 3.292 ( 8.534 0.000 -3.224) 9.122 3.937 ( 4.965 0.000 -6.965) 8.553 4.235 ( 0.260 0.000 10.375) 10.378 4.381 ( -8.764 -0.000 2.619) 9.147 4.755 ( 1.815 0.000 -2.203) 2.854 5.015 ( 5.423 0.000 2.469) 5.959 5.361 ( -2.208 -0.000 5.287) 5.729 5.643 ( -5.087 -0.000 7.102) 8.735 6.841 ( -3.424 -0.000 8.660) 9.312 8.276 ( 14.823 0.000 -14.915) 21.028 8.975 ( -39.598 -0.000 14.004) 42.002 9.626 ( 8.668 0.000 2.298) 8.968 11.392 ( -6.413 -0.000 11.457) 13.129 11.848 ( -12.219 -0.000 9.313) 15.363 13.938 ( 1.181 0.000 -8.449) 8.531 14.122 ( 7.883 0.000 4.064) 8.869 15.187 ( 18.772 0.000 -3.815) 19.156 16.410 ( 16.346 0.000 2.236) 16.499 ======================= Grid point 228 (107/282) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 0.358 3.235 4.953) 5.926 1.358 ( -4.366 -3.443 6.536) 8.581 1.479 ( -5.482 0.369 -5.999) 8.135 1.832 ( 0.946 0.767 1.640) 2.043 3.095 ( -0.865 2.197 -3.862) 4.527 3.341 ( 5.943 -2.809 -1.378) 6.716 3.372 ( 4.647 -1.697 -1.646) 5.214 3.949 ( 3.816 -0.839 -3.633) 5.335 4.231 ( -9.695 2.765 1.175) 10.150 4.337 ( -0.879 -1.040 6.604) 6.743 4.783 ( 6.514 0.909 -3.241) 7.332 5.097 ( 3.613 -0.860 0.940) 3.831 5.382 ( -2.161 -0.061 5.408) 5.824 5.630 ( -6.720 -0.669 6.169) 9.146 6.898 ( -1.843 -1.461 9.021) 9.322 8.312 ( 13.585 0.840 -16.492) 21.383 8.662 ( -34.006 -1.212 20.332) 39.639 9.770 ( 7.385 -0.282 5.702) 9.335 11.386 ( -6.027 0.838 6.715) 9.061 11.784 ( -6.143 1.008 3.561) 7.172 13.852 ( -2.409 2.224 -4.751) 5.773 14.234 ( 7.195 4.347 5.056) 9.810 15.404 ( 16.023 -2.620 -3.180) 16.544 16.645 ( 15.628 -0.639 2.783) 15.886 ======================= Grid point 229 (108/282) ======================= q-point: (-0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 0.369 3.269 4.208) 5.341 1.335 ( -7.768 2.564 -1.142) 8.260 1.415 ( -1.642 -2.273 3.588) 4.554 1.832 ( -0.192 1.085 0.794) 1.358 3.044 ( 0.566 0.659 -2.889) 3.017 3.404 ( -1.089 -0.367 1.444) 1.846 3.457 ( 4.814 -5.087 -0.654) 7.035 3.989 ( 2.147 0.296 1.050) 2.408 4.070 ( -9.171 -0.479 -3.127) 9.701 4.395 ( 2.225 2.238 4.939) 5.861 4.825 ( 6.843 1.412 -4.233) 8.170 5.134 ( 1.129 0.098 -0.887) 1.439 5.395 ( -2.931 -0.411 3.765) 4.789 5.600 ( -7.856 -1.772 5.022) 9.491 6.976 ( -1.545 -0.813 9.462) 9.622 8.317 ( 12.488 1.010 -19.071) 22.818 8.506 ( -28.022 -3.163 30.483) 41.526 9.912 ( 5.658 0.867 7.969) 9.811 11.339 ( -5.653 1.022 2.311) 6.192 11.716 ( -3.214 1.687 -2.025) 4.157 13.753 ( -4.552 2.603 0.360) 5.256 14.288 ( 6.076 7.359 5.232) 10.883 15.578 ( 10.644 -0.913 -2.255) 10.919 16.865 ( 13.532 -0.168 3.018) 13.865 ======================= Grid point 230 (109/282) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -7.993 4.485 2.437) 9.484 1.256 ( 1.687 4.478 2.399) 5.352 1.425 ( -3.249 2.735 6.401) 7.681 1.836 ( -0.106 -1.471 0.467) 1.547 3.045 ( 2.670 -1.030 -2.181) 3.598 3.374 ( -4.855 1.163 2.093) 5.413 3.571 ( 0.925 -6.597 -0.246) 6.666 3.908 ( -7.084 0.981 0.030) 7.152 4.081 ( 4.669 -2.007 -0.270) 5.090 4.414 ( 2.097 4.613 2.483) 5.642 4.833 ( 3.918 2.457 -4.377) 6.368 5.107 ( -0.945 1.726 -2.578) 3.243 5.384 ( -3.438 -0.962 1.226) 3.774 5.572 ( -7.625 -3.041 4.661) 9.440 7.031 ( -3.390 1.140 9.984) 10.606 8.248 ( 4.387 2.962 -12.461) 13.538 8.598 ( -14.294 -7.607 33.899) 37.568 10.026 ( 3.788 2.713 8.813) 9.969 11.259 ( -6.004 0.901 -0.252) 6.077 11.622 ( -1.516 1.788 -7.387) 7.750 13.686 ( -5.691 1.924 5.886) 8.411 14.305 ( 5.099 8.284 5.186) 11.024 15.651 ( 5.540 3.137 -1.327) 6.504 17.036 ( 9.695 0.411 1.367) 9.800 ======================= Grid point 231 (110/282) ======================= q-point: (-0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -6.594 7.233 6.599) 11.805 1.237 ( 4.112 6.738 1.030) 7.960 1.397 ( -5.995 4.324 11.735) 13.869 1.865 ( -0.267 -2.821 -0.459) 2.871 3.091 ( 4.369 -1.576 -2.194) 5.137 3.298 ( -6.169 2.291 2.353) 6.989 3.613 ( -3.307 -5.133 -3.029) 6.816 3.867 ( -2.471 -3.807 -0.299) 4.548 4.172 ( 7.023 1.727 1.977) 7.498 4.372 ( -0.501 4.807 0.370) 4.848 4.785 ( -0.034 3.541 -3.318) 4.853 5.032 ( -1.542 3.104 -2.919) 4.531 5.359 ( -2.833 -1.367 -0.615) 3.205 5.568 ( -6.480 -3.842 5.015) 9.050 7.037 ( -6.137 2.778 11.363) 13.210 8.167 ( 5.517 4.068 -9.753) 11.920 8.894 ( -9.937 -12.221 38.199) 41.319 10.097 ( 1.712 3.904 9.748) 10.640 11.175 ( -6.045 -0.442 0.598) 6.091 11.502 ( -0.652 1.436 -11.847) 11.951 13.657 ( -7.270 1.683 10.636) 12.993 14.302 ( 3.622 8.607 5.308) 10.741 15.620 ( 1.494 7.470 -0.441) 7.631 17.107 ( 4.336 2.098 -3.196) 5.780 ======================= Grid point 232 (111/282) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -3.388 9.410 7.963) 12.784 1.239 ( 6.194 7.760 6.230) 11.722 1.378 ( -7.494 2.818 14.651) 16.696 1.877 ( -1.170 -2.162 -2.040) 3.195 3.136 ( 3.170 0.564 -1.473) 3.541 3.216 ( -3.743 1.079 -0.728) 3.963 3.615 ( 0.769 -4.056 -3.471) 5.393 3.885 ( -3.818 -5.327 -1.331) 6.688 4.147 ( -0.865 8.030 -5.154) 9.581 4.390 ( 6.117 0.605 5.721) 8.397 4.694 ( -2.771 3.756 -1.982) 5.071 4.958 ( -0.849 2.994 -0.780) 3.209 5.341 ( -1.657 -1.456 -0.745) 2.328 5.586 ( -5.566 -3.746 5.226) 8.504 7.014 ( -7.554 3.613 12.844) 15.333 8.112 ( 7.659 4.542 -9.917) 13.328 9.268 ( -7.824 -13.833 28.823) 32.914 10.188 ( -2.123 -1.801 18.404) 18.613 11.143 ( -5.422 -3.198 3.156) 7.042 11.375 ( -0.032 -0.043 -10.739) 10.739 13.626 ( -10.459 3.282 13.864) 17.674 14.269 ( 1.400 9.284 5.460) 10.861 15.497 ( -1.693 11.380 -0.063) 11.505 17.023 ( -0.846 5.863 -9.898) 11.535 ======================= Grid point 233 (112/282) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -0.624 8.908 9.658) 13.154 1.269 ( -1.357 7.641 12.656) 14.846 1.436 ( 0.985 0.208 13.432) 13.470 1.860 ( -1.081 -1.264 -2.746) 3.210 3.124 ( -0.177 3.653 1.663) 4.018 3.169 ( 1.598 -1.605 -8.153) 8.462 3.683 ( 6.165 -3.133 -2.948) 7.518 3.879 ( -5.251 -4.320 0.229) 6.803 3.944 ( -3.192 8.244 -8.199) 12.057 4.507 ( 3.588 2.153 2.290) 4.770 4.624 ( 1.367 2.174 3.160) 4.072 4.922 ( -1.394 1.316 1.496) 2.431 5.340 ( -0.967 -1.354 -0.049) 1.665 5.607 ( -5.007 -2.807 5.368) 7.859 6.983 ( -7.506 4.353 13.140) 15.746 8.071 ( 9.031 4.122 -10.790) 14.662 9.457 ( -3.928 -4.664 5.087) 7.941 10.399 ( -13.832 -13.823 18.373) 26.833 11.114 ( -5.278 -1.622 -0.147) 5.524 11.460 ( -0.201 -14.999 14.635) 20.957 13.541 ( -12.027 6.828 14.763) 20.229 14.201 ( -0.379 9.542 4.967) 10.764 15.302 ( -2.583 13.825 -0.611) 14.077 16.769 ( -2.757 12.031 -15.187) 19.570 ======================= Grid point 234 (113/282) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 3.549 5.925 12.651) 14.414 1.254 ( -7.030 3.451 13.990) 16.033 1.577 ( 4.339 0.682 8.398) 9.477 1.845 ( -0.200 -0.355 -1.098) 1.171 3.090 ( -0.245 0.989 -1.138) 1.528 3.151 ( 6.291 -0.251 -9.480) 11.380 3.672 ( -4.261 6.336 -4.534) 8.880 3.840 ( 11.217 0.172 -9.756) 14.867 3.892 ( -3.716 -4.106 6.220) 8.329 4.461 ( -4.123 2.140 1.598) 4.912 4.726 ( 8.278 2.108 4.800) 9.798 4.902 ( -3.763 -0.255 2.207) 4.370 5.345 ( -1.360 -1.082 0.922) 1.967 5.622 ( -4.431 -1.380 5.698) 7.349 6.941 ( -7.170 5.268 12.073) 14.997 8.059 ( 11.128 2.167 -11.406) 16.081 9.451 ( -0.504 0.152 -2.490) 2.545 10.331 ( -26.047 -7.449 -4.304) 27.431 11.136 ( -4.376 -3.168 11.898) 13.067 11.877 ( -18.274 -28.800 28.128) 44.210 13.466 ( 0.082 6.321 10.645) 12.381 14.119 ( -0.008 7.926 2.797) 8.405 15.100 ( 0.933 13.491 -1.686) 13.628 16.432 ( 1.384 16.986 -13.479) 21.729 ======================= Grid point 238 (114/282) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 3.558 0.000 2.569) 4.389 1.331 ( -5.373 -0.000 8.467) 10.028 1.365 ( -5.845 -0.000 -2.186) 6.241 1.855 ( -0.360 -0.000 0.653) 0.745 3.063 ( -0.355 -0.000 -3.660) 3.677 3.380 ( 5.947 0.000 -3.051) 6.684 3.397 ( -0.179 -0.000 1.986) 1.994 3.975 ( 3.293 0.000 0.296) 3.306 4.085 ( -12.823 -0.000 0.191) 12.824 4.419 ( 3.199 0.000 5.828) 6.648 4.846 ( 7.842 0.000 -5.304) 9.467 5.131 ( 2.255 0.000 -0.967) 2.454 5.389 ( -3.548 -0.000 4.203) 5.500 5.576 ( -8.842 -0.000 5.431) 10.376 6.967 ( 0.615 0.000 9.403) 9.423 8.329 ( 13.300 0.000 -18.890) 23.102 8.465 ( -28.904 -0.000 28.515) 40.602 9.924 ( 6.024 0.000 9.299) 11.079 11.350 ( -5.519 -0.000 1.217) 5.652 11.738 ( -3.318 -0.000 -2.330) 4.054 13.795 ( -3.866 -0.000 -1.241) 4.061 14.398 ( 5.421 0.000 6.313) 8.322 15.558 ( 14.286 0.000 -3.245) 14.650 16.864 ( 14.310 0.000 2.972) 14.615 ======================= Grid point 239 (115/282) ======================= q-point: (-0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -8.208 3.022 5.102) 10.126 1.336 ( 2.147 2.704 3.675) 5.043 1.419 ( 0.661 -2.848 5.325) 6.075 1.835 ( -1.626 0.642 -0.589) 1.844 3.039 ( 1.932 0.355 -2.909) 3.510 3.393 ( -3.555 0.401 3.139) 4.759 3.433 ( 2.384 -3.543 -2.509) 4.953 3.911 ( -9.152 -0.420 -3.571) 9.833 4.065 ( 2.803 0.376 7.740) 8.241 4.496 ( 3.193 1.619 3.580) 5.063 4.880 ( 6.503 1.080 -6.801) 9.471 5.131 ( 0.667 0.337 -2.871) 2.967 5.366 ( -4.778 -0.381 2.327) 5.328 5.512 ( -9.166 -1.394 4.937) 10.504 7.056 ( -0.000 0.610 9.427) 9.446 8.315 ( 9.029 2.190 -14.326) 17.075 8.450 ( -18.410 -3.857 32.719) 37.741 10.076 ( 4.396 1.074 10.824) 11.732 11.271 ( -5.262 0.199 -2.880) 6.002 11.653 ( -1.974 0.617 -8.412) 8.663 13.744 ( -4.197 1.653 4.362) 6.275 14.482 ( 3.532 4.354 6.505) 8.588 15.691 ( 10.359 0.439 -2.657) 10.704 17.047 ( 10.729 0.312 1.771) 10.878 ======================= Grid point 240 (116/282) ======================= q-point: (-0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -6.181 4.831 8.971) 11.917 1.356 ( 2.387 3.714 2.703) 5.177 1.483 ( -0.832 0.957 6.028) 6.160 1.811 ( -1.043 -1.139 -0.458) 1.611 3.057 ( 4.364 -0.584 -2.654) 5.141 3.354 ( -5.759 1.742 4.780) 7.685 3.475 ( -1.193 -5.205 -2.691) 5.979 3.798 ( -5.411 -1.684 -3.140) 6.479 4.187 ( 4.807 0.405 9.364) 10.533 4.504 ( 0.421 4.243 0.418) 4.284 4.860 ( 3.120 2.250 -7.004) 7.990 5.092 ( -0.126 1.578 -3.589) 3.923 5.326 ( -4.494 -1.049 0.778) 4.680 5.476 ( -7.380 -3.050 5.026) 9.436 7.104 ( -3.406 2.152 10.318) 11.077 8.272 ( 7.646 4.142 -9.705) 13.031 8.645 ( -11.389 -7.690 36.130) 38.656 10.191 ( 2.910 2.981 10.188) 11.007 11.167 ( -5.753 -0.140 -3.999) 7.007 11.527 ( -1.134 0.550 -13.346) 13.406 13.729 ( -3.661 2.887 9.908) 10.950 14.505 ( 2.371 6.572 6.284) 9.397 15.755 ( 6.117 3.219 -1.754) 7.132 17.149 ( 5.756 1.205 -1.148) 5.992 ======================= Grid point 241 (117/282) ======================= q-point: (-0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -3.314 6.850 8.612) 11.492 1.367 ( 4.000 3.445 3.039) 6.091 1.484 ( -3.783 3.830 8.515) 10.074 1.822 ( -0.501 -2.012 -0.700) 2.188 3.107 ( 5.525 -1.241 -4.013) 6.940 3.292 ( -6.533 3.335 6.718) 9.947 3.499 ( 0.215 -5.102 -3.451) 6.164 3.757 ( -3.479 -3.919 -2.264) 5.708 4.309 ( 2.971 3.401 3.317) 5.603 4.431 ( -0.045 3.478 2.781) 4.453 4.783 ( -0.268 3.165 -6.212) 6.977 5.036 ( 0.049 2.761 -2.419) 3.671 5.299 ( -2.975 -1.719 0.146) 3.439 5.486 ( -5.313 -3.854 5.326) 8.453 7.105 ( -6.499 3.248 12.607) 14.550 8.236 ( 8.650 5.147 -9.105) 13.572 8.953 ( -10.490 -10.202 37.082) 39.864 10.254 ( 1.584 4.384 8.396) 9.603 11.077 ( -6.296 -1.884 -0.751) 6.615 11.385 ( -0.158 0.264 -14.932) 14.935 13.741 ( -3.750 4.748 13.598) 14.883 14.491 ( 0.939 7.623 5.952) 9.717 15.734 ( 2.457 7.067 -0.796) 7.524 17.133 ( 0.543 3.126 -5.597) 6.434 ======================= Grid point 242 (118/282) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -1.542 7.642 5.858) 9.752 1.430 ( -0.771 4.218 6.594) 7.866 1.467 ( 1.791 2.369 9.799) 10.239 1.824 ( -0.703 -1.267 -1.635) 2.185 3.139 ( 4.713 -0.698 -6.914) 8.397 3.231 ( -4.904 4.343 7.523) 9.975 3.572 ( 5.635 -5.484 -3.904) 8.779 3.750 ( -4.356 -4.426 -0.213) 6.213 4.165 ( -4.021 8.021 -6.545) 11.105 4.542 ( 5.864 0.456 6.759) 8.960 4.681 ( -1.772 2.582 -2.680) 4.122 4.983 ( -0.369 3.063 -0.932) 3.223 5.296 ( -1.618 -2.012 0.259) 2.595 5.525 ( -3.870 -3.539 5.781) 7.806 7.089 ( -7.608 3.790 14.602) 16.896 8.196 ( 8.156 5.611 -9.122) 13.462 9.234 ( -11.522 -10.173 26.217) 30.391 10.283 ( -1.939 2.246 8.047) 8.577 11.042 ( -6.745 -3.419 3.293) 8.248 11.293 ( 1.891 -2.042 -6.800) 7.348 13.735 ( -5.114 7.698 14.866) 17.505 14.437 ( -1.401 8.496 5.319) 10.121 15.627 ( -0.070 11.198 -0.186) 11.200 16.987 ( -2.971 6.050 -10.113) 12.153 ======================= Grid point 243 (119/282) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 1.718 5.986 7.444) 9.706 1.361 ( -8.720 4.731 8.933) 13.350 1.608 ( 7.766 0.959 6.316) 10.056 1.816 ( -0.331 -1.170 -1.504) 1.934 3.121 ( 1.063 1.092 -4.539) 4.788 3.202 ( 2.166 3.768 1.706) 4.669 3.655 ( -0.888 -4.985 -4.596) 6.838 3.790 ( 4.271 -3.498 1.640) 5.759 3.967 ( -1.721 6.905 -5.771) 9.162 4.525 ( -2.080 3.121 -3.767) 5.316 4.747 ( 5.018 -0.769 8.091) 9.552 4.929 ( -1.789 2.443 -0.403) 3.054 5.308 ( -1.241 -1.833 0.792) 2.351 5.574 ( -2.749 -2.372 6.223) 7.205 7.072 ( -7.347 4.659 14.933) 17.282 8.145 ( 7.374 4.727 -9.439) 12.877 9.357 ( -11.146 -6.998 11.078) 17.202 10.236 ( -10.298 0.924 -0.318) 10.344 11.055 ( -5.548 -3.298 9.551) 11.527 11.411 ( 0.575 -10.156 10.664) 14.738 13.681 ( -4.823 9.809 13.560) 17.417 14.334 ( -4.087 8.605 3.947) 10.312 15.462 ( 0.439 14.076 -0.257) 14.085 16.750 ( -2.746 8.895 -12.064) 15.238 ======================= Grid point 244 (120/282) ======================= q-point: (-0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 4.074 3.639 8.819) 10.374 1.273 ( -9.022 2.203 9.335) 13.167 1.699 ( 3.732 2.271 0.705) 4.425 1.829 ( 0.411 -1.592 -0.191) 1.655 3.077 ( -0.040 1.549 -1.971) 2.507 3.217 ( 7.963 2.981 -3.624) 9.243 3.596 ( -5.842 0.017 -3.814) 6.977 3.879 ( 5.249 0.980 -6.069) 8.084 3.944 ( 7.374 -1.954 3.783) 8.515 4.436 ( -3.574 1.354 -0.606) 3.870 4.859 ( -5.170 0.146 2.335) 5.674 4.888 ( 6.475 1.491 3.129) 7.345 5.322 ( -1.610 -1.317 1.928) 2.836 5.619 ( -2.254 -0.832 6.445) 6.878 7.037 ( -7.154 6.293 13.267) 16.334 8.118 ( 8.661 1.675 -9.617) 13.050 9.356 ( -12.792 -5.607 6.579) 15.439 9.994 ( -13.901 4.815 -7.608) 16.562 11.148 ( -5.023 -4.228 14.468) 15.888 11.663 ( -8.012 -13.203 17.884) 23.630 13.644 ( 0.890 6.308 9.375) 11.334 14.197 ( -5.463 6.421 1.501) 8.563 15.309 ( 5.102 14.011 -0.682) 14.927 16.518 ( 1.501 9.799 -9.570) 13.779 ======================= Grid point 249 (121/282) ======================= q-point: ( 0.40 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -6.775 -0.000 10.155) 12.208 1.436 ( 3.907 0.000 0.285) 3.918 1.451 ( -0.172 -0.000 8.228) 8.230 1.801 ( -2.196 -0.000 -1.137) 2.473 3.056 ( 4.345 0.000 -2.617) 5.072 3.379 ( -5.670 -0.000 6.108) 8.334 3.395 ( 0.484 0.000 -4.388) 4.415 3.777 ( -6.096 -0.000 -3.575) 7.067 4.195 ( 2.990 0.000 12.013) 12.380 4.559 ( 0.880 0.000 1.163) 1.458 4.890 ( 4.497 0.000 -8.638) 9.738 5.111 ( 0.694 0.000 -3.857) 3.919 5.312 ( -5.289 -0.000 1.303) 5.447 5.434 ( -7.761 -0.000 4.979) 9.221 7.133 ( -2.458 -0.000 9.879) 10.180 8.346 ( 14.477 0.000 -18.317) 23.347 8.527 ( -17.273 -0.000 43.775) 47.060 10.231 ( 3.245 0.000 11.110) 11.574 11.166 ( -5.184 -0.000 -5.806) 7.784 11.533 ( -1.478 -0.000 -13.923) 14.002 13.769 ( -3.150 -0.000 9.688) 10.187 14.594 ( 0.746 0.000 6.712) 6.753 15.793 ( 8.237 0.000 -2.464) 8.598 17.164 ( 6.125 0.000 -0.590) 6.153 ======================= Grid point 251 (122/282) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -3.569 3.245 11.435) 12.411 1.438 ( 0.934 2.019 -0.551) 2.292 1.524 ( -1.228 -0.354 6.510) 6.635 1.785 ( -0.210 -0.769 0.469) 0.925 3.101 ( 6.354 0.498 -2.729) 6.934 3.353 ( -4.829 1.223 5.725) 7.589 3.381 ( -0.907 -3.238 -2.788) 4.368 3.697 ( -3.180 -1.040 -2.691) 4.294 4.344 ( 2.864 0.406 12.980) 13.299 4.523 ( -3.396 2.386 -2.109) 4.655 4.843 ( 1.944 1.359 -9.043) 9.349 5.085 ( 1.073 0.997 -3.281) 3.593 5.264 ( -4.178 -0.835 0.834) 4.342 5.410 ( -4.886 -1.776 5.323) 7.441 7.165 ( -6.215 1.298 12.125) 13.687 8.354 ( 12.730 3.392 -14.039) 19.253 8.760 ( -12.617 -4.689 42.500) 44.580 10.343 ( 2.702 2.062 7.868) 8.571 11.048 ( -5.984 -0.494 -4.335) 7.406 11.385 ( -0.410 -0.116 -16.021) 16.027 13.831 ( -1.859 1.949 13.729) 13.991 14.629 ( -1.098 2.910 6.253) 6.984 15.850 ( 5.412 2.222 -1.583) 6.061 17.185 ( 0.993 1.026 -3.822) 4.080 ======================= Grid point 252 (123/282) ======================= q-point: (-0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -2.463 6.136 4.603) 8.056 1.452 ( 0.140 -1.507 3.113) 3.461 1.547 ( -1.225 2.557 7.359) 7.887 1.805 ( 0.506 -0.305 0.715) 0.927 3.142 ( 5.925 1.123 -4.051) 7.264 3.325 ( -5.151 2.827 8.131) 10.031 3.422 ( 3.912 -5.856 -4.875) 8.565 3.670 ( -1.610 -1.877 -0.560) 2.536 4.340 ( -5.815 5.722 -4.293) 9.219 4.530 ( 2.402 -1.260 11.240) 11.563 4.751 ( -0.085 2.598 -8.342) 8.738 5.052 ( 0.379 2.073 -2.133) 2.999 5.246 ( -2.320 -1.729 0.715) 2.980 5.442 ( -2.672 -2.699 6.021) 7.119 7.166 ( -8.648 2.174 15.165) 17.593 8.338 ( 10.216 5.060 -11.043) 15.872 9.022 ( -12.556 -6.262 34.961) 37.672 10.378 ( 2.404 3.723 0.626) 4.476 10.971 ( -7.099 -2.000 3.150) 8.020 11.265 ( 1.680 -0.669 -12.328) 12.460 13.899 ( -1.689 4.813 15.432) 16.253 14.607 ( -2.950 4.681 5.513) 7.810 15.844 ( 2.756 5.767 -0.276) 6.398 17.096 ( -3.402 2.729 -7.344) 8.542 ======================= Grid point 253 (124/282) ======================= q-point: (-0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -1.023 4.556 1.717) 4.975 1.451 ( -6.691 1.392 4.751) 8.324 1.619 ( 5.427 0.554 6.659) 8.608 1.810 ( 0.125 0.624 0.235) 0.678 3.151 ( 4.418 1.534 -4.927) 6.793 3.301 ( -2.370 3.486 6.924) 8.106 3.510 ( 3.326 -5.996 -5.831) 9.000 3.709 ( 3.313 -2.621 2.074) 4.706 4.132 ( -6.232 5.930 -5.923) 10.444 4.615 ( 0.604 3.646 -6.487) 7.465 4.702 ( 0.532 -2.301 9.819) 10.099 5.000 ( -1.165 2.689 -1.589) 3.333 5.257 ( -1.034 -2.054 0.823) 2.443 5.509 ( -1.124 -2.575 6.712) 7.276 7.164 ( -9.201 2.620 17.328) 19.794 8.287 ( 7.032 6.005 -9.563) 13.303 9.180 ( -14.205 -5.942 21.599) 26.525 10.317 ( -0.134 3.997 -7.243) 8.274 10.974 ( -7.140 -2.781 11.162) 13.539 11.259 ( 3.594 -3.264 -1.085) 4.974 13.923 ( -2.815 8.588 15.093) 17.593 14.528 ( -5.777 6.300 4.539) 9.678 15.771 ( 0.969 9.850 0.884) 9.937 16.913 ( -5.413 4.406 -9.782) 12.017 ======================= Grid point 254 (125/282) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 0.705 0.898 2.259) 2.531 1.362 ( -8.096 3.769 5.679) 10.583 1.731 ( 4.696 0.001 1.924) 5.075 1.803 ( -0.273 0.491 0.750) 0.938 3.130 ( 1.943 2.203 -3.517) 4.583 3.306 ( 2.956 3.368 3.078) 5.436 3.534 ( -1.616 -3.342 -3.632) 5.193 3.847 ( 9.333 -3.575 -2.510) 10.305 3.969 ( -2.672 3.352 -0.859) 4.372 4.499 ( -1.399 3.442 -6.068) 7.115 4.830 ( -1.022 -2.278 8.965) 9.306 4.937 ( -0.473 2.239 -1.255) 2.610 5.281 ( -0.618 -1.822 1.381) 2.369 5.588 ( -0.490 -1.645 6.798) 7.011 7.166 ( -8.677 3.649 17.363) 19.750 8.207 ( 4.926 5.202 -8.765) 11.320 9.203 ( -15.953 -5.643 11.747) 20.599 10.143 ( -2.912 5.891 -12.575) 14.188 11.046 ( -6.424 -3.564 14.908) 16.620 11.409 ( 1.755 -7.161 9.782) 12.249 13.881 ( -3.025 11.086 13.050) 17.388 14.378 ( -9.165 7.425 3.244) 12.233 15.648 ( 1.261 12.312 1.013) 12.418 16.703 ( -3.530 5.103 -9.233) 11.124 ======================= Grid point 255 (126/282) ======================= q-point: (-0.10 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -4.381 -0.792 1.370) 4.658 1.308 ( -1.900 1.743 7.855) 8.267 1.732 ( -0.334 2.120 -3.397) 4.018 1.818 ( -0.021 -0.555 0.556) 0.786 3.092 ( 0.627 2.167 -2.010) 3.021 3.340 ( 6.182 3.022 0.056) 6.881 3.503 ( -2.235 -0.290 -2.057) 3.051 3.889 ( 4.038 -1.242 -5.131) 6.647 4.049 ( 7.992 -1.880 2.204) 8.501 4.399 ( -2.980 1.543 -2.545) 4.212 4.817 ( -4.634 1.697 0.704) 4.985 4.982 ( 2.855 -1.391 4.433) 5.454 5.311 ( -0.494 -1.291 2.558) 2.907 5.649 ( -1.158 -0.369 6.307) 6.423 7.138 ( -8.760 6.025 14.494) 17.976 8.157 ( 6.626 1.622 -7.888) 10.429 9.132 ( -21.468 -5.222 10.440) 24.436 9.912 ( -0.937 7.566 -11.873) 14.110 11.153 ( -5.706 -4.529 14.794) 16.491 11.601 ( -3.318 -7.643 12.221) 14.791 13.823 ( -0.721 9.073 9.453) 13.123 14.182 ( -10.281 6.044 1.556) 12.027 15.532 ( 3.642 11.095 0.008) 11.677 16.561 ( 2.016 4.776 -5.256) 7.382 ======================= Grid point 261 (127/282) ======================= q-point: (-0.50 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -1.594 -0.000 11.362) 11.473 1.386 ( -4.350 -0.000 -4.740) 6.434 1.580 ( 0.276 -0.000 6.605) 6.611 1.802 ( 1.257 -0.000 1.878) 2.260 3.175 ( 7.089 -0.000 -2.126) 7.401 3.326 ( 2.594 -0.000 -5.946) 6.487 3.362 ( -4.543 -0.000 7.467) 8.740 3.648 ( -0.976 -0.000 -0.663) 1.180 4.432 ( -7.249 -0.000 -5.453) 9.071 4.496 ( 1.007 -0.000 14.450) 14.485 4.789 ( 1.435 -0.000 -9.923) 10.027 5.078 ( 0.487 -0.000 -2.408) 2.457 5.222 ( -2.716 -0.000 1.202) 2.970 5.405 ( -2.138 -0.000 6.011) 6.380 7.194 ( -9.200 -0.000 15.286) 17.841 8.412 ( 12.549 -0.000 -14.780) 19.389 8.937 ( -13.665 -0.000 40.028) 42.296 10.429 ( 3.297 -0.000 -1.380) 3.574 10.945 ( -7.238 -0.000 2.639) 7.704 11.256 ( 1.558 -0.000 -13.304) 13.395 13.962 ( -0.425 -0.000 15.682) 15.688 14.667 ( -3.660 -0.000 5.550) 6.648 15.917 ( 4.039 -0.000 -0.393) 4.058 17.130 ( -3.561 -0.000 -6.517) 7.426 ======================= Grid point 263 (128/282) ======================= q-point: (-0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -4.999 3.309 -2.637) 6.549 1.425 ( -3.501 -2.325 6.585) 7.812 1.644 ( 2.412 0.845 6.146) 6.656 1.830 ( 0.821 0.562 1.476) 1.780 3.207 ( 3.547 2.715 -2.085) 4.930 3.340 ( 0.026 -2.234 -1.546) 2.717 3.392 ( 4.441 -1.137 -0.019) 4.585 3.665 ( 1.973 -0.831 2.403) 3.219 4.251 ( -8.494 2.915 -6.680) 11.192 4.633 ( -0.312 -1.489 12.934) 13.023 4.704 ( 0.591 1.760 -9.369) 9.551 5.047 ( -1.675 0.876 -1.735) 2.566 5.218 ( -0.792 -0.794 1.504) 1.876 5.456 ( -0.364 -1.317 6.915) 7.048 7.207 ( -10.996 0.834 18.554) 21.584 8.411 ( 9.052 2.982 -12.513) 15.729 9.075 ( -15.291 -2.237 28.293) 32.238 10.393 ( 3.279 1.625 -13.330) 13.823 10.927 ( -8.093 -0.928 13.534) 15.796 11.209 ( 3.518 -0.952 -5.275) 6.412 14.081 ( -0.024 3.423 15.837) 16.203 14.637 ( -5.864 2.220 4.683) 7.826 15.942 ( 2.435 3.528 1.601) 4.576 16.983 ( -6.932 1.324 -8.846) 11.316 ======================= Grid point 264 (129/282) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -4.693 0.513 -2.136) 5.182 1.424 ( -5.866 0.852 5.306) 7.956 1.727 ( 3.422 -0.015 3.675) 5.022 1.835 ( 0.242 1.351 1.181) 1.811 3.184 ( 1.315 2.143 -2.656) 3.658 3.346 ( 0.212 -0.716 -0.613) 0.966 3.470 ( 6.036 -1.225 -2.630) 6.697 3.766 ( 6.111 -2.302 3.095) 7.227 4.055 ( -6.815 3.036 -4.827) 8.886 4.589 ( 0.126 3.181 -9.393) 9.918 4.761 ( -1.872 -2.681 11.805) 12.250 4.987 ( -2.987 1.404 -1.296) 3.546 5.241 ( 0.317 -1.050 1.493) 1.853 5.541 ( 0.357 -1.805 7.275) 7.504 7.224 ( -11.326 1.206 20.668) 23.598 8.348 ( 5.039 5.002 -10.521) 12.693 9.093 ( -16.656 -2.914 15.411) 22.879 10.257 ( 1.895 2.874 -17.658) 17.991 10.979 ( -7.979 -1.596 17.059) 18.901 11.280 ( 3.494 -3.326 4.468) 6.575 14.140 ( -0.731 8.254 14.663) 16.843 14.540 ( -8.645 4.751 4.042) 10.661 15.911 ( 0.390 8.054 3.211) 8.680 16.785 ( -7.282 1.541 -9.430) 12.014 ======================= Grid point 265 (130/282) ======================= q-point: (-0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -5.727 -2.790 -1.699) 6.593 1.373 ( -5.274 2.459 5.699) 8.145 1.761 ( 0.108 0.145 -2.674) 2.681 1.832 ( 0.158 1.508 2.412) 2.849 3.143 ( -0.134 1.685 -2.642) 3.137 3.358 ( 1.993 -1.304 -2.714) 3.611 3.529 ( 4.975 1.664 0.645) 5.285 3.852 ( 1.352 -1.028 -4.296) 4.620 4.000 ( 3.916 -1.682 3.463) 5.491 4.465 ( -1.084 3.154 -7.700) 8.392 4.840 ( -4.117 -0.685 6.176) 7.453 4.943 ( -0.879 -0.751 2.106) 2.402 5.277 ( 1.018 -1.135 1.572) 2.190 5.627 ( -0.254 -1.349 6.766) 6.904 7.244 ( -10.957 2.328 19.952) 22.882 8.246 ( 3.294 4.782 -8.762) 10.512 9.015 ( -18.816 -3.776 9.669) 21.489 10.072 ( 1.287 4.721 -16.776) 17.475 11.056 ( -7.285 -2.830 16.115) 17.910 11.433 ( 0.791 -5.472 9.425) 10.927 14.113 ( -1.328 12.133 11.975) 17.099 14.367 ( -11.623 7.645 4.105) 14.505 15.800 ( -2.577 10.416 1.790) 10.879 16.635 ( -2.154 0.674 -5.697) 6.128 ======================= Grid point 266 (131/282) ======================= q-point: (-0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -6.522 -4.422 -0.780) 7.918 1.343 ( -4.663 0.712 5.831) 7.500 1.677 ( -4.345 0.700 -7.914) 9.055 1.837 ( 0.019 1.653 2.719) 3.182 3.097 ( -0.371 1.345 -2.230) 2.630 3.381 ( 2.285 -1.625 -2.591) 3.818 3.563 ( 3.895 4.764 3.369) 7.015 3.861 ( 3.279 -3.667 -4.391) 6.594 4.132 ( 5.452 -2.147 2.281) 6.288 4.351 ( -2.484 2.096 -5.118) 6.063 4.797 ( -3.232 1.738 0.586) 3.716 5.011 ( -0.070 -3.166 4.879) 5.817 5.325 ( 1.758 -1.004 2.166) 2.965 5.681 ( -1.731 -0.345 5.691) 5.959 7.211 ( -11.665 5.181 15.072) 19.751 8.195 ( 6.849 1.269 -7.306) 10.094 8.886 ( -23.842 -3.331 13.032) 27.375 9.901 ( 2.585 4.852 -11.967) 13.169 11.149 ( -6.114 -4.269 13.813) 15.698 11.575 ( -2.575 -5.472 8.389) 10.342 14.029 ( -1.339 12.711 8.918) 15.585 14.140 ( -12.114 7.550 3.391) 14.671 15.647 ( -3.282 6.812 -0.935) 7.619 16.622 ( 5.371 1.274 0.190) 5.523 ======================= Grid point 273 (132/282) ======================= q-point: (-0.40 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -7.592 -0.000 -2.624) 8.032 1.425 ( -4.222 -0.000 5.837) 7.204 1.728 ( 2.597 0.000 3.818) 4.617 1.854 ( 0.347 0.000 1.313) 1.359 3.226 ( -3.221 -0.000 1.119) 3.410 3.311 ( 6.045 0.000 -8.753) 10.637 3.461 ( 6.614 0.000 -0.404) 6.626 3.738 ( 4.714 0.000 5.392) 7.162 4.098 ( -8.241 -0.000 -6.278) 10.360 4.633 ( 0.637 0.000 -10.636) 10.655 4.722 ( -2.791 -0.000 13.363) 13.652 5.002 ( -3.703 -0.000 -1.376) 3.951 5.231 ( 0.792 0.000 1.942) 2.097 5.514 ( 0.462 0.000 7.590) 7.604 7.238 ( -12.653 -0.000 21.854) 25.253 8.417 ( 6.117 0.000 -12.408) 13.833 9.056 ( -17.660 -0.000 17.969) 25.194 10.291 ( 3.479 0.000 -20.145) 20.443 10.961 ( -8.614 -0.000 18.346) 20.267 11.238 ( 3.489 0.000 2.663) 4.389 14.251 ( 1.121 0.000 15.268) 15.309 14.601 ( -7.971 -0.000 3.981) 8.910 16.021 ( 1.775 0.000 4.769) 5.088 16.799 ( -9.640 -0.000 -10.185) 14.024 ======================= Grid point 274 (133/282) ======================= q-point: (-0.30 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -8.357 -0.366 -0.843) 8.408 1.407 ( -5.898 0.369 5.350) 7.971 1.759 ( -0.564 -0.072 -1.190) 1.319 1.865 ( 0.298 0.736 1.645) 1.826 3.175 ( -3.024 0.776 -1.022) 3.285 3.323 ( 5.970 -0.972 -8.107) 10.115 3.538 ( 6.280 -0.490 -1.546) 6.486 3.859 ( 4.114 0.969 5.076) 6.605 3.969 ( -3.402 -0.755 -1.519) 3.801 4.531 ( -0.363 1.587 -10.218) 10.347 4.800 ( -3.790 -1.321 11.462) 12.144 4.940 ( -3.883 -0.058 -0.867) 3.979 5.263 ( 1.872 -0.015 1.416) 2.347 5.593 ( -0.002 -0.958 7.598) 7.658 7.273 ( -13.190 0.341 23.739) 27.160 8.351 ( 3.084 2.634 -11.519) 12.212 8.949 ( -19.256 -1.336 10.578) 22.010 10.145 ( 3.152 1.230 -20.225) 20.506 11.014 ( -8.827 -0.675 17.580) 19.683 11.335 ( 1.750 -2.119 7.810) 8.280 14.359 ( 0.831 6.119 13.212) 14.584 14.505 ( -9.707 2.489 4.453) 10.966 16.046 ( -0.926 7.495 6.865) 10.206 16.593 ( -8.742 -2.899 -9.223) 13.034 ======================= Grid point 275 (134/282) ======================= q-point: (-0.20 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -9.244 -2.046 0.070) 9.468 1.368 ( -6.900 0.662 6.321) 9.381 1.678 ( -6.425 -0.329 -7.660) 10.003 1.877 ( 0.677 1.182 2.521) 2.865 3.122 ( -1.582 0.582 -2.111) 2.701 3.343 ( 5.426 -0.950 -6.572) 8.576 3.616 ( 5.373 -1.674 -0.446) 5.646 3.831 ( -1.436 2.651 0.102) 3.017 4.068 ( 4.496 -2.795 5.552) 7.671 4.412 ( -0.771 2.224 -8.797) 9.107 4.827 ( -4.588 0.580 3.607) 5.865 4.927 ( -2.402 -3.094 4.201) 5.744 5.306 ( 3.266 -0.305 0.647) 3.344 5.662 ( -1.355 -0.923 6.834) 7.028 7.297 ( -13.308 1.737 21.245) 25.129 8.252 ( 2.959 2.573 -9.996) 10.738 8.809 ( -21.287 -2.409 12.509) 24.808 9.993 ( 2.765 2.209 -17.088) 17.451 11.066 ( -8.143 -2.127 15.104) 17.291 11.455 ( -0.551 -3.647 8.327) 9.107 14.294 ( -7.620 8.096 3.871) 11.772 14.417 ( -3.949 10.444 12.073) 16.445 15.876 ( -9.237 12.521 0.809) 15.580 16.567 ( 1.003 -6.598 0.081) 6.675 ======================= Grid point 276 (135/282) ======================= q-point: (-0.10 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -8.108 -5.375 1.243) 9.807 1.323 ( -7.999 0.826 6.052) 10.065 1.488 ( -11.644 -1.806 -9.605) 15.202 1.895 ( 1.239 1.760 2.853) 3.574 3.084 ( -0.271 0.507 -2.168) 2.243 3.368 ( 3.555 -1.293 -4.495) 5.875 3.700 ( 4.478 1.523 3.473) 5.868 3.818 ( 2.462 -2.233 -2.643) 4.246 4.151 ( -3.311 -1.090 2.062) 4.050 4.333 ( 3.589 2.071 -4.260) 5.943 4.773 ( -3.734 0.625 0.080) 3.787 4.988 ( -2.250 -4.315 3.874) 6.220 5.365 ( 4.189 -0.588 0.062) 4.231 5.698 ( -2.727 -0.131 5.589) 6.220 7.233 ( -14.583 4.623 13.805) 20.606 8.215 ( 7.710 -0.914 -12.267) 14.518 8.716 ( -23.231 -1.006 27.850) 36.281 9.875 ( 2.867 1.430 -11.129) 11.581 11.128 ( -6.886 -3.905 11.964) 14.346 11.546 ( -2.169 -3.670 5.278) 6.785 14.116 ( -9.405 6.515 3.665) 12.014 14.278 ( -4.766 18.331 9.902) 21.372 15.616 ( -9.920 5.005 -1.963) 11.283 16.721 ( 7.645 -3.352 4.998) 9.729 ======================= Grid point 284 (136/282) ======================= q-point: (-0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -10.465 -0.000 1.514) 10.574 1.373 ( -7.841 -0.000 6.701) 10.314 1.672 ( -7.364 -0.000 -7.439) 10.468 1.892 ( 0.791 0.000 2.143) 2.284 3.129 ( -2.433 -0.000 -1.513) 2.865 3.334 ( 8.323 0.000 -9.446) 12.590 3.573 ( 3.049 0.000 -2.240) 3.783 3.901 ( -1.850 -0.000 -0.074) 1.851 4.012 ( 4.717 0.000 9.030) 10.188 4.444 ( -0.523 -0.000 -9.916) 9.930 4.836 ( -4.581 -0.000 10.122) 11.110 4.878 ( -3.819 -0.000 -1.343) 4.048 5.305 ( 3.474 0.000 0.099) 3.476 5.648 ( -1.222 -0.000 7.641) 7.738 7.315 ( -13.997 -0.000 24.244) 27.994 8.290 ( 1.635 0.000 -12.384) 12.491 8.777 ( -21.037 -0.000 12.959) 24.708 10.018 ( 3.228 0.000 -19.095) 19.365 11.040 ( -9.273 -0.000 15.648) 18.190 11.406 ( 0.106 0.000 8.426) 8.426 14.415 ( -11.440 -0.000 3.883) 12.081 14.543 ( 2.319 0.000 12.171) 12.390 16.208 ( 0.601 0.000 13.892) 13.905 16.325 ( -11.873 -0.000 -11.135) 16.277 ======================= Grid point 285 (137/282) ======================= q-point: (-0.20 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -11.847 -0.808 3.047) 12.260 1.330 ( -9.957 -0.156 9.077) 13.475 1.449 ( -14.267 -0.937 -11.365) 18.264 1.924 ( 1.328 0.520 2.643) 3.003 3.091 ( -0.842 0.091 -2.421) 2.565 3.357 ( 7.760 0.366 -8.619) 11.604 3.605 ( 2.053 -4.028 -2.174) 5.017 3.888 ( 1.232 3.222 2.874) 4.490 4.126 ( -1.372 -0.937 6.228) 6.446 4.369 ( 2.577 0.795 -5.761) 6.361 4.798 ( -4.632 1.455 -0.382) 4.870 4.881 ( -4.064 -3.575 5.178) 7.491 5.355 ( 5.241 -0.207 -1.836) 5.557 5.691 ( -2.557 -0.219 7.161) 7.606 7.315 ( -14.702 1.704 17.458) 22.887 8.199 ( 2.426 -0.351 -12.959) 13.189 8.693 ( -19.412 -0.551 29.366) 35.206 9.896 ( 2.540 0.290 -15.927) 16.131 11.060 ( -8.602 -1.392 13.065) 15.704 11.478 ( -0.910 -1.484 6.195) 6.435 14.271 ( -11.748 4.327 4.253) 13.222 14.630 ( 1.565 6.676 9.970) 12.100 15.914 ( -12.868 17.667 -3.743) 22.175 16.498 ( 2.537 -13.981 10.671) 17.770 ======================= Grid point 286 (138/282) ======================= q-point: (-0.10 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -10.101 -4.813 4.851) 12.195 1.147 ( -16.871 -2.132 -11.960) 20.789 1.304 ( -12.614 -1.366 13.683) 18.660 1.954 ( 1.341 1.075 2.254) 2.835 3.064 ( 0.386 -0.381 -2.964) 3.013 3.362 ( 4.605 0.688 -6.966) 8.378 3.697 ( 4.320 -7.903 -3.782) 9.768 3.901 ( 3.048 4.976 5.607) 8.093 4.076 ( -7.418 0.963 -1.592) 7.648 4.405 ( 4.542 1.182 2.036) 5.116 4.712 ( -5.520 -0.166 -1.542) 5.733 4.917 ( -3.532 -4.556 1.958) 6.088 5.404 ( 5.071 -0.536 -3.813) 6.367 5.711 ( -3.461 0.386 6.196) 7.107 7.194 ( -16.171 3.644 9.770) 19.241 8.134 ( 3.969 -2.312 -15.625) 16.287 8.853 ( -9.954 3.174 51.328) 52.380 9.813 ( 2.162 -1.633 -9.865) 10.231 11.091 ( -7.093 -3.080 10.419) 12.975 11.521 ( -1.331 -1.774 1.918) 2.932 14.108 ( -9.851 4.946 5.185) 12.182 14.545 ( -3.953 19.525 8.001) 21.468 15.522 ( -13.939 8.916 -2.181) 16.690 16.801 ( 7.260 -8.653 7.948) 13.811 ======================= Grid point 295 (139/282) ======================= q-point: (-0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -13.813 -0.000 5.236) 14.773 1.114 ( -19.196 -0.000 -11.654) 22.457 1.285 ( -13.846 -0.000 15.300) 20.635 1.966 ( 1.138 0.000 2.330) 2.593 3.058 ( 0.242 0.000 -4.158) 4.166 3.394 ( 9.607 0.000 -9.882) 13.782 3.563 ( -0.586 -0.000 -1.665) 1.766 3.976 ( 3.940 0.000 4.610) 6.064 4.089 ( -7.012 -0.000 -0.162) 7.014 4.414 ( 3.752 0.000 3.784) 5.329 4.721 ( -5.655 -0.000 -4.425) 7.180 4.844 ( -4.340 -0.000 4.186) 6.030 5.395 ( 5.835 0.000 -5.071) 7.730 5.716 ( -3.416 -0.000 7.181) 7.953 7.246 ( -16.170 -0.000 8.734) 18.378 8.103 ( 2.700 0.000 -13.976) 14.234 8.895 ( -5.811 -0.000 56.296) 56.595 9.788 ( 1.418 0.000 -14.076) 14.147 11.051 ( -7.898 -0.000 11.232) 13.731 11.498 ( -0.720 -0.000 2.597) 2.695 14.184 ( -12.320 -0.000 5.177) 13.363 14.770 ( 2.560 0.000 5.649) 6.202 15.846 ( -9.942 -0.000 -9.517) 13.763 16.559 ( 2.405 0.000 19.917) 20.062 ======================= Grid point 296 (140/282) ======================= q-point: (-0.10 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( -12.040 -4.723 7.182) 14.794 0.797 ( -19.885 -2.164 -2.974) 20.222 1.262 ( -15.208 -1.013 20.588) 25.616 1.988 ( 0.079 0.338 1.020) 1.077 3.032 ( 1.953 -0.825 -5.483) 5.879 3.394 ( 6.433 3.930 -7.980) 10.978 3.600 ( 2.532 -8.103 -4.427) 9.574 3.968 ( -8.165 1.095 -2.666) 8.659 4.067 ( 5.039 3.183 7.264) 9.396 4.483 ( -0.629 1.167 4.852) 5.030 4.594 ( -7.541 -1.472 -3.751) 8.550 4.843 ( -2.054 -2.448 1.201) 3.414 5.409 ( 3.875 -0.358 -6.523) 7.596 5.726 ( -4.059 0.523 6.493) 7.675 7.089 ( -16.023 1.307 7.259) 17.639 8.030 ( 4.716 -1.128 -14.793) 15.567 9.471 ( 13.473 10.962 53.764) 56.500 9.739 ( 5.034 -5.845 3.839) 8.616 11.063 ( -6.189 -1.844 9.880) 11.803 11.499 ( -0.390 -0.245 -1.294) 1.374 14.067 ( -10.608 1.641 5.689) 12.148 14.776 ( 0.261 10.933 3.063) 11.357 15.495 ( -13.322 19.644 -2.863) 23.907 16.815 ( 3.547 -10.350 4.073) 11.674 ======================= Grid point 306 (141/282) ======================= q-point: (-0.10 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( -11.555 -0.000 10.703) 15.750 0.617 ( -11.545 -0.000 14.809) 18.778 1.268 ( -15.023 -0.000 26.865) 30.780 1.981 ( -1.629 -0.000 -0.806) 1.817 3.009 ( 4.806 0.000 -7.709) 9.084 3.475 ( 10.246 0.000 -10.798) 14.886 3.495 ( -1.956 -0.000 -2.038) 2.824 3.846 ( -7.265 -0.000 -3.185) 7.933 4.232 ( 5.943 0.000 8.667) 10.509 4.407 ( -9.838 -0.000 -7.487) 12.363 4.507 ( -6.151 -0.000 6.935) 9.270 4.842 ( 1.252 0.000 2.435) 2.738 5.389 ( 2.104 0.000 -5.356) 5.754 5.729 ( -4.817 -0.000 5.842) 7.572 6.971 ( -13.972 -0.000 8.638) 16.426 7.967 ( 7.352 0.000 -15.211) 16.894 9.581 ( -0.386 -0.000 -10.722) 10.729 10.580 ( 48.293 0.000 44.163) 65.441 11.063 ( -5.358 -0.000 10.037) 11.377 11.516 ( 5.968 0.000 4.633) 7.555 13.989 ( -10.004 -0.000 5.551) 11.440 14.855 ( 1.267 0.000 -1.873) 2.261 15.561 ( -1.363 -0.000 -4.443) 4.647 16.574 ( -24.038 -0.000 -20.991) 31.913 ======================= Grid point 307 (142/282) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 0.529 0.000 15.106) 15.116 1.305 ( 2.911 0.000 13.052) 13.372 1.786 ( -2.028 -0.000 3.760) 4.272 1.799 ( -1.930 -0.000 -3.317) 3.838 2.915 ( 2.123 0.000 -1.728) 2.737 3.194 ( -1.034 -0.000 -8.483) 8.546 3.360 ( -2.878 -0.000 -2.806) 4.019 3.624 ( 8.040 0.000 -9.085) 12.132 4.126 ( -2.293 -0.000 6.661) 7.045 4.516 ( -3.895 -0.000 3.244) 5.069 4.665 ( 5.110 0.000 5.993) 7.876 4.994 ( -2.855 -0.000 2.159) 3.579 5.388 ( -0.693 -0.000 2.724) 2.811 5.762 ( -3.580 -0.000 2.635) 4.445 7.061 ( -9.984 -0.000 10.593) 14.557 7.686 ( 12.602 0.000 -11.583) 17.116 9.349 ( -1.340 -0.000 1.219) 1.811 10.443 ( -5.959 -0.000 -21.023) 21.852 11.426 ( -2.165 -0.000 15.529) 15.680 12.941 ( 37.811 0.000 -4.667) 38.098 13.952 ( -5.650 -0.000 2.782) 6.298 14.033 ( -58.586 -0.000 -3.853) 58.713 14.858 ( -16.300 -0.000 2.730) 16.527 15.589 ( 14.917 0.000 -5.355) 15.849 ======================= Grid point 308 (143/282) ======================= q-point: ( 0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 2.032 -2.180 12.961) 13.299 1.447 ( 2.058 -1.043 8.628) 8.931 1.707 ( -4.403 3.922 -0.430) 5.912 1.798 ( -0.395 -2.386 -2.057) 3.175 2.964 ( 5.798 -2.126 -1.700) 6.405 3.083 ( -0.134 3.903 -5.742) 6.944 3.348 ( -2.433 -7.283 -5.189) 9.268 3.662 ( 10.238 0.197 -9.294) 13.828 4.169 ( -1.005 2.820 10.615) 11.029 4.504 ( -2.526 0.344 3.012) 3.946 4.784 ( 5.099 -0.665 5.621) 7.618 4.944 ( -5.475 -0.033 -0.470) 5.496 5.398 ( -1.298 0.382 2.963) 3.258 5.746 ( -2.685 0.291 3.489) 4.412 7.052 ( -8.769 -3.078 10.501) 14.023 7.768 ( 14.059 -1.099 -11.088) 17.939 9.384 ( 1.585 -1.638 3.726) 4.368 10.144 ( -13.466 1.608 -15.644) 20.704 11.519 ( -4.069 2.130 16.841) 17.456 12.892 ( -22.127 18.356 -9.036) 30.136 13.592 ( -6.140 -2.971 13.961) 15.538 13.968 ( -0.767 -5.512 1.558) 5.779 14.810 ( -1.770 -6.398 0.322) 6.646 15.822 ( 15.990 -9.867 -6.406) 19.851 ======================= Grid point 309 (144/282) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 0.355 -2.533 8.802) 9.166 1.500 ( -4.029 2.900 8.087) 9.489 1.617 ( -1.348 -0.627 -4.153) 4.411 1.806 ( 0.694 -1.206 -2.221) 2.621 3.011 ( 2.931 2.659 -3.975) 5.609 3.090 ( 7.015 -4.045 1.398) 8.217 3.368 ( -1.667 -7.589 -5.899) 9.756 3.712 ( 10.074 0.138 -8.217) 13.001 4.207 ( -0.345 4.636 10.202) 11.211 4.483 ( -1.503 2.193 1.403) 3.006 4.830 ( -5.619 -0.161 -1.749) 5.887 4.939 ( 3.823 -2.479 3.982) 6.051 5.400 ( -1.366 0.858 3.327) 3.698 5.749 ( -1.680 0.119 3.909) 4.257 7.098 ( -7.727 -6.180 10.207) 14.216 7.859 ( 13.078 -0.884 -11.196) 17.238 9.486 ( 3.190 -1.479 6.809) 7.663 9.803 ( -18.831 2.051 -7.388) 20.332 11.556 ( -6.402 3.749 14.865) 16.613 12.328 ( -24.099 12.741 2.512) 27.375 13.730 ( 2.486 -1.598 8.777) 9.261 14.058 ( -0.311 -5.354 1.163) 5.487 14.965 ( 6.764 -11.706 0.642) 13.535 16.091 ( 15.343 -8.937 -6.088) 18.771 ======================= Grid point 310 (145/282) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -4.582 1.202 3.401) 5.832 1.493 ( -2.270 1.381 8.095) 8.520 1.579 ( -2.609 -2.026 -5.230) 6.186 1.806 ( 0.697 -0.315 -1.287) 1.497 2.998 ( 2.881 0.885 -3.385) 4.532 3.266 ( 7.359 -4.843 3.263) 9.394 3.397 ( 0.065 -5.731 -3.308) 6.618 3.771 ( 8.966 0.090 -6.039) 10.811 4.218 ( -0.447 4.849 6.949) 8.485 4.438 ( -1.412 3.356 0.384) 3.661 4.740 ( -4.789 -1.831 -3.923) 6.456 5.049 ( 3.389 -1.676 2.712) 4.653 5.404 ( -0.632 1.327 3.485) 3.782 5.764 ( -1.501 -0.264 3.599) 3.908 7.179 ( -7.673 -7.777 9.538) 14.503 7.922 ( 11.125 -0.480 -11.534) 16.033 9.473 ( -20.302 3.279 7.950) 22.048 9.646 ( 4.313 -2.259 2.916) 5.675 11.527 ( -7.430 4.127 10.398) 13.430 11.998 ( -13.317 6.928 2.269) 15.182 13.844 ( -1.243 -3.409 8.589) 9.324 14.093 ( -4.148 -2.782 2.444) 5.560 15.240 ( 9.099 -12.041 0.900) 15.119 16.330 ( 14.163 -5.816 -3.023) 15.606 ======================= Grid point 311 (146/282) ======================= q-point: (-0.60 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -4.033 3.512 1.613) 5.585 1.472 ( -7.075 2.384 1.325) 7.583 1.536 ( -2.689 -1.697 1.207) 3.401 1.823 ( 1.194 -1.520 0.011) 1.933 2.990 ( 2.136 -0.055 -4.526) 5.005 3.397 ( 2.544 -2.099 0.152) 3.302 3.505 ( 4.923 -5.927 4.586) 8.966 3.821 ( 6.368 1.483 -3.861) 7.593 4.208 ( -0.656 2.209 3.877) 4.510 4.357 ( -3.731 4.135 -0.587) 5.600 4.703 ( 0.411 -2.529 -4.645) 5.305 5.106 ( 1.196 -0.204 0.617) 1.361 5.409 ( 0.070 1.846 2.718) 3.286 5.775 ( -2.174 -0.614 2.851) 3.637 7.254 ( -8.554 -7.361 8.747) 14.278 7.953 ( 9.287 -0.347 -12.558) 15.623 9.286 ( -18.372 0.706 14.476) 23.400 9.771 ( 4.956 0.613 7.374) 8.906 11.457 ( -6.744 3.540 5.805) 9.577 11.806 ( -8.120 4.000 -0.919) 9.098 13.941 ( -5.678 -7.131 8.697) 12.599 14.088 ( -4.479 -1.271 4.323) 6.354 15.461 ( 4.719 -7.206 -0.184) 8.616 16.559 ( 13.654 -3.768 1.136) 14.210 ======================= Grid point 312 (147/282) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -3.027 5.052 1.818) 6.164 1.328 ( -10.878 2.923 1.018) 11.309 1.534 ( -3.859 -0.019 5.719) 6.899 1.869 ( 1.724 -2.577 -0.221) 3.108 2.981 ( 2.816 -0.742 -5.253) 6.006 3.422 ( -0.944 0.837 1.493) 1.955 3.699 ( 5.721 -5.527 6.707) 10.405 3.810 ( 2.836 4.088 -3.763) 6.239 4.182 ( -7.401 0.473 -0.900) 7.470 4.291 ( 2.937 1.436 1.870) 3.766 4.710 ( 2.310 -1.255 -4.447) 5.166 5.092 ( -1.531 1.604 -1.587) 2.727 5.405 ( 0.263 1.853 1.273) 2.264 5.777 ( -2.695 -1.093 2.327) 3.725 7.293 ( -9.775 -5.273 8.422) 13.939 7.938 ( 6.792 0.550 -14.196) 15.747 9.264 ( -11.151 -2.535 21.226) 24.110 9.881 ( 3.630 3.062 10.719) 11.724 11.373 ( -5.766 2.866 2.678) 6.974 11.655 ( -6.004 2.413 -4.085) 7.652 14.041 ( -9.945 -12.457 8.945) 18.278 14.099 ( -2.289 -0.684 5.311) 5.824 15.534 ( -0.311 -1.052 -0.860) 1.394 16.781 ( 11.677 -2.193 2.267) 12.095 ======================= Grid point 313 (148/282) ======================= q-point: (-0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -4.488 5.927 2.963) 8.003 1.159 ( -11.967 4.603 6.451) 14.353 1.547 ( -3.962 -0.107 8.488) 9.368 1.920 ( 1.592 -2.664 -1.227) 3.338 2.992 ( 3.927 -1.248 -5.045) 6.514 3.372 ( -4.940 3.775 2.436) 6.677 3.741 ( 1.380 3.878 -5.586) 6.938 3.907 ( 6.616 -4.654 7.769) 11.215 4.042 ( -6.898 2.834 -2.420) 7.840 4.360 ( 1.034 -3.310 0.674) 3.532 4.705 ( 1.299 0.748 -2.391) 2.822 5.005 ( -3.358 3.113 -3.083) 5.520 5.391 ( -0.267 1.419 0.287) 1.472 5.780 ( -2.610 -1.725 2.193) 3.820 7.286 ( -10.724 -2.406 8.847) 14.109 7.868 ( 4.908 1.854 -14.203) 15.141 9.412 ( -2.285 -4.718 16.553) 17.364 10.010 ( 4.180 2.549 19.599) 20.201 11.295 ( -4.448 2.119 2.149) 5.376 11.519 ( -4.663 0.933 -6.133) 7.761 14.132 ( -1.293 -0.687 4.534) 4.765 14.167 ( -12.835 -17.601 9.787) 23.882 15.483 ( -3.583 3.566 -0.496) 5.079 16.920 ( 6.628 0.497 -1.661) 6.851 ======================= Grid point 314 (149/282) ======================= q-point: (-0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -7.790 6.029 7.053) 12.115 1.054 ( -7.369 5.462 13.027) 15.932 1.586 ( -3.747 -0.813 10.108) 10.811 1.944 ( 0.034 -1.937 -2.652) 3.285 3.016 ( 2.877 -0.603 -3.013) 4.210 3.264 ( -4.590 4.069 0.389) 6.146 3.658 ( 1.392 3.322 -6.691) 7.599 3.893 ( -5.603 3.500 -2.917) 7.222 4.130 ( 6.750 -4.308 8.795) 11.894 4.363 ( -4.526 -2.737 -4.883) 7.199 4.685 ( -1.245 1.407 0.075) 1.880 4.911 ( -1.182 2.626 -0.343) 2.900 5.372 ( -0.780 0.908 0.677) 1.375 5.790 ( -2.548 -2.011 2.044) 3.836 7.241 ( -11.092 0.148 9.645) 14.700 7.780 ( 5.168 2.726 -13.255) 14.486 9.516 ( -0.853 -0.594 1.859) 2.130 10.347 ( 13.637 -5.209 24.892) 28.857 11.247 ( -3.022 1.200 2.215) 3.935 11.437 ( -0.622 -1.820 -1.144) 2.238 14.147 ( -3.732 -0.219 4.278) 5.681 14.326 ( -13.881 -21.614 8.243) 26.978 15.357 ( -6.128 5.580 0.136) 8.289 16.871 ( -2.067 5.314 -10.349) 11.816 ======================= Grid point 315 (150/282) ======================= q-point: (-0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -7.447 4.840 12.485) 15.322 1.063 ( -1.814 4.972 16.736) 17.553 1.651 ( -2.795 -1.715 10.602) 11.098 1.920 ( -1.884 -1.038 -4.037) 4.575 2.998 ( -2.443 2.880 1.160) 3.950 3.206 ( 2.029 -1.436 -5.285) 5.841 3.575 ( 2.382 4.799 -6.026) 8.063 3.751 ( -5.641 2.669 -3.928) 7.374 4.247 ( -7.794 -1.294 -6.012) 9.929 4.341 ( 6.866 -2.970 8.088) 11.017 4.630 ( -3.790 1.409 -0.184) 4.047 4.921 ( 1.498 0.363 4.326) 4.592 5.364 ( -0.714 0.436 1.728) 1.920 5.796 ( -3.015 -1.625 1.871) 3.903 7.176 ( -10.876 1.512 10.252) 15.023 7.704 ( 6.737 2.988 -12.719) 14.700 9.471 ( -2.853 1.952 -2.010) 3.999 10.711 ( 10.920 -4.094 -5.762) 13.008 11.239 ( -2.773 -0.992 6.928) 7.528 11.674 ( 21.233 -8.784 15.816) 27.895 14.111 ( -6.924 1.063 4.162) 8.148 14.483 ( -14.894 -23.448 2.466) 27.888 15.210 ( -9.668 1.686 1.582) 9.940 16.503 ( -14.728 15.850 -19.948) 29.429 ======================= Grid point 316 (151/282) ======================= q-point: (-0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -3.566 2.636 15.125) 15.761 1.162 ( 1.423 2.941 16.575) 16.894 1.736 ( -1.502 -1.824 8.473) 8.796 1.862 ( -2.276 -0.353 -4.416) 4.980 2.936 ( -1.675 2.517 0.397) 3.049 3.222 ( 1.593 -4.706 -7.495) 8.992 3.475 ( -0.032 7.581 -3.664) 8.420 3.637 ( 0.166 0.041 -7.381) 7.383 4.139 ( -5.421 -0.928 -0.705) 5.545 4.511 ( 2.557 -2.461 6.158) 7.107 4.574 ( -1.152 1.860 2.450) 3.285 4.977 ( 0.147 -0.423 4.390) 4.412 5.372 ( -0.501 0.080 2.405) 2.458 5.785 ( -3.656 -0.746 1.988) 4.228 7.111 ( -10.528 1.519 10.560) 14.989 7.662 ( 9.457 1.939 -12.308) 15.642 9.391 ( -3.162 1.650 -1.005) 3.706 10.662 ( 0.480 -1.029 -21.013) 21.044 11.316 ( -1.845 -1.341 12.356) 12.565 12.342 ( 39.409 -8.907 9.577) 41.522 14.027 ( -8.244 1.594 3.760) 9.200 14.510 ( -22.131 -17.937 -8.661) 29.775 15.105 ( -23.659 -10.738 3.949) 26.280 15.810 ( -11.695 29.888 -16.399) 36.041 ======================= Grid point 318 (152/282) ======================= q-point: ( 0.10 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 1.376 0.000 9.910) 10.005 1.526 ( 1.298 0.000 4.679) 4.856 1.653 ( -7.146 -0.000 -3.449) 7.935 1.761 ( 1.144 0.000 0.289) 1.180 3.038 ( 8.820 0.000 -0.056) 8.820 3.090 ( 3.736 0.000 -4.740) 6.035 3.221 ( -2.356 -0.000 -4.952) 5.484 3.713 ( 9.957 0.000 -8.542) 13.119 4.276 ( -0.754 -0.000 10.777) 10.803 4.509 ( -1.839 -0.000 3.153) 3.650 4.840 ( -7.043 -0.000 -3.826) 8.015 4.892 ( 4.770 0.000 5.439) 7.234 5.411 ( -1.462 -0.000 3.424) 3.723 5.750 ( -2.058 -0.000 3.707) 4.240 7.016 ( -7.683 -0.000 10.019) 12.626 7.850 ( 14.763 0.000 -11.787) 18.892 9.460 ( 4.382 0.000 6.959) 8.224 9.834 ( -20.869 -0.000 -6.322) 21.805 11.608 ( -7.108 -0.000 15.425) 16.984 12.505 ( -35.140 -0.000 -0.382) 35.142 13.748 ( 10.643 0.000 1.813) 10.796 13.971 ( 3.689 0.000 3.663) 5.198 14.802 ( 7.417 0.000 -0.493) 7.433 15.959 ( 19.083 0.000 -2.958) 19.311 ======================= Grid point 319 (153/282) ======================= q-point: ( 0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -0.618 -0.208 6.055) 6.090 1.525 ( -5.663 0.308 -3.101) 6.463 1.553 ( -1.809 0.543 3.044) 3.583 1.796 ( 1.789 -0.591 0.269) 1.904 3.065 ( 2.881 4.562 -3.266) 6.307 3.179 ( 8.961 -1.814 2.776) 9.555 3.223 ( 1.365 -7.199 -4.726) 8.720 3.769 ( 8.944 -0.134 -6.168) 10.865 4.331 ( -1.152 3.150 8.689) 9.314 4.497 ( -3.408 0.932 2.184) 4.154 4.714 ( -4.394 -0.245 -6.402) 7.769 5.002 ( 3.909 -1.466 3.737) 5.603 5.425 ( -1.020 0.380 3.966) 4.113 5.757 ( -2.012 -0.222 3.209) 3.794 7.035 ( -6.314 -3.125 9.839) 12.101 7.921 ( 13.278 0.139 -12.948) 18.547 9.521 ( -24.874 0.790 5.022) 25.388 9.608 ( 5.916 -0.760 9.045) 10.835 11.605 ( -9.267 1.715 10.480) 14.094 12.125 ( -20.716 2.672 -0.057) 20.888 13.834 ( 2.956 1.020 1.908) 3.664 14.079 ( 5.131 0.812 5.145) 7.311 14.984 ( 13.891 -6.596 -0.622) 15.390 16.210 ( 18.859 -2.938 -1.259) 19.127 ======================= Grid point 320 (154/282) ======================= q-point: ( 0.30 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -2.046 2.741 3.039) 4.575 1.465 ( -2.800 -2.219 -3.384) 4.921 1.534 ( -4.886 0.869 5.723) 7.576 1.815 ( 1.476 0.629 -0.372) 1.647 3.014 ( 1.078 2.150 -3.913) 4.593 3.314 ( 4.907 -5.084 -2.944) 7.655 3.352 ( 5.851 -4.342 5.450) 9.098 3.838 ( 7.813 0.030 -2.671) 8.257 4.304 ( -5.049 4.744 4.123) 8.062 4.438 ( -4.720 1.499 1.865) 5.292 4.654 ( 3.085 -1.025 -6.764) 7.505 5.082 ( 2.441 -1.355 0.758) 2.893 5.442 ( -0.740 0.792 3.720) 3.874 5.756 ( -2.930 -0.722 2.427) 3.873 7.098 ( -5.442 -4.559 9.908) 12.189 7.956 ( 11.297 0.362 -14.040) 18.025 9.288 ( -23.755 -0.335 14.599) 27.884 9.780 ( 5.846 0.142 11.050) 12.502 11.528 ( -8.901 1.900 4.614) 10.204 11.885 ( -10.995 2.120 -3.232) 11.654 13.856 ( -3.195 -0.497 4.863) 5.840 14.153 ( 4.721 5.176 6.159) 9.328 15.258 ( 13.012 -8.102 -0.566) 15.339 16.477 ( 17.258 -2.493 1.192) 17.478 ======================= Grid point 321 (155/282) ======================= q-point: (-0.60 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -0.356 4.501 1.929) 4.910 1.397 ( -6.569 1.680 0.528) 6.801 1.529 ( -3.626 -0.379 6.083) 7.092 1.823 ( 1.142 -0.557 -0.806) 1.505 2.975 ( 1.555 0.393 -4.613) 4.883 3.397 ( 3.142 -2.540 -1.736) 4.397 3.533 ( 3.137 -6.341 6.958) 9.923 3.910 ( 6.473 2.421 0.476) 6.927 4.173 ( -9.967 0.923 -0.911) 10.051 4.393 ( 0.027 4.417 2.741) 5.198 4.675 ( 5.867 -1.241 -6.170) 8.604 5.107 ( 0.479 -0.277 -2.091) 2.163 5.444 ( -1.317 1.141 2.298) 2.884 5.743 ( -4.019 -1.412 1.862) 4.649 7.174 ( -5.410 -3.874 10.327) 12.285 7.954 ( 9.584 0.675 -15.091) 17.890 9.198 ( -18.487 -2.593 22.917) 29.558 9.938 ( 4.456 1.630 12.050) 12.951 11.425 ( -7.302 1.151 0.379) 7.402 11.707 ( -6.774 1.627 -6.813) 9.744 13.863 ( -6.971 -2.232 8.298) 11.065 14.188 ( 4.464 6.899 6.219) 10.306 15.469 ( 8.047 -4.188 -0.853) 9.112 16.727 ( 14.592 -1.687 2.674) 14.930 ======================= Grid point 322 (156/282) ======================= q-point: (-0.50 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -0.491 6.371 1.300) 6.521 1.285 ( -7.967 4.839 6.044) 11.110 1.548 ( -3.336 0.055 7.560) 8.263 1.849 ( 1.300 -2.507 -1.500) 3.198 2.966 ( 3.423 -0.747 -5.200) 6.270 3.419 ( -1.002 -0.024 -0.282) 1.041 3.692 ( -1.790 -6.433 4.953) 8.314 3.928 ( 3.157 5.439 2.583) 6.798 4.064 ( -4.483 -1.841 -2.044) 5.259 4.370 ( 1.290 4.151 1.816) 4.711 4.708 ( 4.662 -0.456 -4.917) 6.791 5.064 ( -1.520 1.434 -3.984) 4.499 5.422 ( -2.137 0.958 0.897) 2.508 5.728 ( -4.213 -2.277 1.742) 5.096 7.231 ( -6.321 -1.771 11.147) 12.936 7.917 ( 7.983 1.823 -15.009) 17.097 9.285 ( -10.272 -5.199 25.775) 28.230 10.068 ( 2.437 2.198 13.799) 14.184 11.327 ( -5.809 0.320 -0.758) 5.867 11.544 ( -5.046 0.984 -9.318) 10.642 13.890 ( -8.694 -4.573 11.017) 14.761 14.210 ( 3.962 6.618 6.157) 9.869 15.552 ( 3.416 1.225 -0.652) 3.687 16.917 ( 9.966 -0.290 0.406) 9.978 ======================= Grid point 323 (157/282) ======================= q-point: (-0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -3.342 7.840 3.877) 9.363 1.204 ( -4.170 6.035 9.881) 12.307 1.575 ( -3.960 0.097 9.423) 10.222 1.881 ( 0.647 -2.881 -2.615) 3.944 2.988 ( 5.167 -1.336 -5.563) 7.709 3.368 ( -4.906 2.990 1.780) 6.015 3.674 ( -5.718 -1.065 -3.963) 7.038 3.968 ( -3.314 -3.383 1.789) 5.063 4.068 ( 6.948 3.802 4.957) 9.343 4.340 ( -0.529 1.868 -1.265) 2.317 4.709 ( 1.187 0.513 -3.771) 3.986 4.982 ( -1.431 2.613 -2.538) 3.913 5.389 ( -2.369 0.391 0.731) 2.510 5.727 ( -3.676 -2.958 1.789) 5.046 7.251 ( -7.735 0.682 12.045) 14.331 7.857 ( 7.613 3.181 -13.314) 15.664 9.461 ( -3.149 -4.039 15.296) 16.130 10.234 ( 2.240 -2.633 19.943) 20.240 11.263 ( -3.951 -0.342 -0.224) 3.972 11.401 ( -3.972 -0.783 -7.182) 8.245 13.947 ( -10.379 -7.061 12.214) 17.514 14.229 ( 2.379 5.996 6.679) 9.286 15.523 ( -0.200 5.993 0.033) 5.996 16.969 ( 3.472 2.873 -5.901) 7.425 ======================= Grid point 324 (158/282) ======================= q-point: (-0.30 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -4.330 7.871 8.431) 12.320 1.207 ( 0.963 5.881 12.326) 13.691 1.613 ( -4.558 -0.911 10.401) 11.393 1.880 ( -1.039 -2.029 -4.056) 4.653 3.022 ( 4.651 -0.922 -5.283) 7.098 3.261 ( -5.772 4.780 2.044) 7.768 3.590 ( -1.113 -1.697 -7.369) 7.643 3.915 ( -1.726 6.369 0.078) 6.599 4.137 ( -6.251 -4.009 -0.150) 7.427 4.342 ( 6.764 1.654 3.701) 7.886 4.657 ( -1.672 0.861 -4.144) 4.550 4.946 ( 0.102 1.607 2.377) 2.871 5.370 ( -1.899 -0.105 1.629) 2.504 5.737 ( -3.260 -3.001 1.806) 4.784 7.231 ( -8.668 2.727 12.330) 15.316 7.800 ( 8.101 4.333 -11.707) 14.881 9.519 ( -1.771 1.109 1.449) 2.543 10.531 ( 4.338 -9.320 10.908) 14.989 11.211 ( -3.394 -0.985 0.348) 3.551 11.434 ( 2.970 -8.242 9.070) 12.610 14.001 ( -13.925 -8.452 11.553) 19.970 14.230 ( -1.316 5.473 7.858) 9.666 15.402 ( -3.768 9.601 0.851) 10.348 16.808 ( -3.422 8.973 -14.349) 17.266 ======================= Grid point 325 (159/282) ======================= q-point: (-0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -2.805 6.278 12.379) 14.161 1.281 ( 3.555 5.648 12.812) 14.446 1.668 ( -4.512 -2.794 9.601) 10.970 1.842 ( -1.113 -1.155 -4.892) 5.148 3.017 ( 1.261 1.753 -3.410) 4.036 3.161 ( -3.224 1.802 -1.503) 3.988 3.567 ( 5.356 -1.359 -8.491) 10.131 3.766 ( -3.287 10.236 -2.377) 11.010 4.070 ( -8.131 -4.721 -0.517) 9.417 4.480 ( 5.535 0.201 6.227) 8.334 4.602 ( -0.013 0.635 -1.284) 1.433 4.968 ( -0.522 -0.045 4.099) 4.132 5.371 ( -1.383 -0.358 2.389) 2.783 5.747 ( -3.225 -2.294 2.042) 4.453 7.183 ( -8.790 3.992 11.951) 15.363 7.750 ( 9.040 4.691 -11.064) 15.038 9.458 ( -1.896 3.074 -1.628) 3.961 10.599 ( -1.855 -4.319 -16.287) 16.952 11.258 ( -2.784 -2.975 11.334) 12.044 11.900 ( 17.513 -22.791 16.816) 33.301 13.983 ( -20.661 -7.453 10.496) 24.343 14.187 ( -6.859 4.215 7.585) 11.061 15.208 ( -7.566 11.069 1.920) 13.544 16.415 ( -5.446 18.132 -19.841) 27.424 ======================= Grid point 326 (160/282) ======================= q-point: (-0.10 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 0.436 4.058 14.326) 14.896 1.364 ( 2.412 4.164 11.255) 12.241 1.712 ( -5.320 -3.455 4.096) 7.551 1.818 ( 1.528 -0.359 -2.983) 3.370 2.971 ( 1.812 3.542 -1.990) 4.448 3.104 ( -2.160 -2.519 -4.941) 5.951 3.540 ( -0.872 9.512 -6.402) 11.499 3.615 ( 6.508 -0.427 -7.717) 10.104 4.075 ( -3.700 -3.884 6.383) 8.338 4.515 ( -2.683 -0.265 1.728) 3.203 4.671 ( 6.162 0.732 5.509) 8.298 4.984 ( -2.797 -0.557 2.579) 3.845 5.383 ( -1.131 -0.479 2.692) 2.959 5.748 ( -3.176 -1.163 2.704) 4.330 7.119 ( -8.892 4.340 11.266) 14.994 7.730 ( 11.350 3.313 -10.985) 16.139 9.392 ( -0.848 2.941 0.414) 3.089 10.409 ( -7.076 -2.619 -20.391) 21.742 11.382 ( -2.595 -3.129 15.084) 15.622 12.576 ( 18.467 -27.748 2.499) 33.425 13.817 ( -33.737 -3.757 13.180) 36.415 14.077 ( -6.427 6.223 3.035) 9.447 14.980 ( -8.634 10.140 2.007) 13.468 15.974 ( 5.147 21.187 -15.250) 26.607 ======================= Grid point 329 (161/282) ======================= q-point: ( 0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -0.233 -0.000 4.027) 4.034 1.429 ( -3.231 -0.000 -3.179) 4.532 1.544 ( -5.518 -0.000 4.766) 7.291 1.827 ( 2.331 0.000 -0.016) 2.331 3.074 ( -1.542 -0.000 -5.561) 5.771 3.199 ( 7.238 0.000 -1.065) 7.315 3.307 ( 7.187 0.000 4.542) 8.502 3.836 ( 7.785 0.000 -2.287) 8.114 4.411 ( -11.450 -0.000 -0.198) 11.451 4.413 ( -0.680 -0.000 7.394) 7.425 4.648 ( 4.609 0.000 -8.158) 9.370 5.060 ( 2.791 0.000 1.424) 3.133 5.451 ( -1.068 -0.000 4.135) 4.271 5.746 ( -3.102 -0.000 2.071) 3.730 7.039 ( -3.992 -0.000 10.340) 11.084 7.962 ( 11.806 0.000 -14.686) 18.843 9.281 ( -26.151 -0.000 15.382) 30.340 9.781 ( 6.564 0.000 11.784) 13.489 11.552 ( -10.165 -0.000 4.092) 10.958 11.912 ( -12.014 -0.000 -4.152) 12.711 13.859 ( -1.418 -0.000 2.325) 2.723 14.247 ( 7.544 0.000 8.350) 11.253 15.132 ( 16.886 0.000 -1.890) 16.992 16.443 ( 19.119 0.000 1.562) 19.183 ======================= Grid point 330 (162/282) ======================= q-point: ( 0.30 0.20 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 0.594 2.685 2.908) 4.002 1.400 ( -1.338 -0.932 0.214) 1.645 1.515 ( -6.320 -0.504 6.642) 9.182 1.837 ( 1.226 0.873 -1.855) 2.388 3.002 ( 0.006 1.313 -5.056) 5.224 3.304 ( 5.767 -3.542 -1.306) 6.893 3.431 ( 2.987 -1.621 6.237) 7.103 3.929 ( 6.601 -0.090 2.148) 6.942 4.226 ( -12.147 1.933 -2.137) 12.484 4.465 ( 0.200 1.180 5.998) 6.116 4.659 ( 7.750 -0.091 -8.484) 11.492 5.092 ( 1.588 -0.541 -1.749) 2.424 5.462 ( -2.266 0.307 3.118) 3.867 5.714 ( -4.727 -0.693 1.293) 4.950 7.107 ( -2.168 -1.370 11.229) 11.518 7.967 ( 10.543 0.288 -15.595) 18.826 9.146 ( -22.993 -1.217 24.431) 33.571 9.967 ( 5.796 0.596 12.295) 13.606 11.438 ( -8.767 0.117 -1.165) 8.845 11.735 ( -6.771 0.557 -8.616) 10.972 13.859 ( -3.832 0.599 6.579) 7.637 14.375 ( 6.174 5.679 8.517) 11.955 15.352 ( 14.916 -3.728 -2.095) 15.517 16.701 ( 16.704 -0.482 2.916) 16.963 ======================= Grid point 331 (163/282) ======================= q-point: (-0.60 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 1.083 4.763 2.740) 5.601 1.379 ( -4.390 2.463 5.387) 7.374 1.532 ( -2.434 -1.609 6.231) 6.881 1.817 ( 0.509 0.058 -2.665) 2.713 2.960 ( 1.990 0.342 -4.781) 5.190 3.385 ( 2.734 -2.455 -2.345) 4.359 3.540 ( -1.310 -4.363 7.506) 8.780 4.000 ( -7.495 -1.977 -2.390) 8.111 4.072 ( 2.976 4.631 5.169) 7.551 4.488 ( 1.231 3.971 3.756) 5.602 4.690 ( 7.359 -0.709 -7.881) 10.806 5.080 ( 0.249 0.050 -4.204) 4.212 5.439 ( -3.781 0.416 1.682) 4.160 5.673 ( -5.660 -1.877 1.232) 6.089 7.200 ( -2.145 -0.731 12.195) 12.404 7.953 ( 10.063 1.011 -15.405) 18.428 9.166 ( -16.758 -3.769 30.366) 34.888 10.120 ( 4.076 1.729 11.060) 11.913 11.319 ( -6.978 -0.662 -3.110) 7.668 11.564 ( -4.674 0.562 -11.978) 12.870 13.868 ( -5.017 1.210 11.155) 12.291 14.423 ( 5.144 8.771 7.665) 12.734 15.537 ( 10.198 -2.056 -1.792) 10.557 16.915 ( 12.360 0.089 1.840) 12.497 ======================= Grid point 332 (164/282) ======================= q-point: (-0.50 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -1.306 6.878 3.251) 7.719 1.342 ( -3.045 4.632 8.112) 9.825 1.579 ( -1.776 -0.351 6.881) 7.115 1.815 ( 0.797 -1.983 -2.577) 3.348 2.960 ( 4.270 -0.682 -4.980) 6.595 3.396 ( -0.529 -0.498 -1.841) 1.979 3.610 ( -6.705 -3.810 4.925) 9.150 3.872 ( -6.786 -2.625 -2.450) 7.678 4.177 ( 7.546 4.085 8.259) 11.910 4.452 ( 0.105 5.730 0.055) 5.731 4.711 ( 4.127 -0.351 -6.680) 7.860 5.031 ( -0.249 1.227 -3.973) 4.166 5.394 ( -4.239 0.046 1.125) 4.386 5.647 ( -5.150 -3.156 1.621) 6.254 7.274 ( -3.934 1.025 13.307) 13.914 7.930 ( 9.997 2.445 -13.659) 17.102 9.328 ( -9.659 -5.679 28.492) 30.616 10.226 ( 1.853 1.376 9.746) 10.016 11.232 ( -5.651 -1.631 -0.904) 5.951 11.395 ( -3.817 0.009 -12.428) 13.001 13.899 ( -5.326 1.478 14.471) 15.491 14.434 ( 4.397 9.264 7.084) 12.464 15.626 ( 5.657 1.998 -1.111) 6.102 17.027 ( 6.733 1.811 -2.392) 7.371 ======================= Grid point 333 (165/282) ======================= q-point: (-0.40 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -2.719 7.612 4.482) 9.243 1.343 ( 0.832 4.840 9.658) 10.835 1.612 ( -3.508 0.467 8.301) 9.024 1.825 ( 0.208 -2.129 -3.312) 3.943 2.991 ( 5.433 -1.116 -5.433) 7.764 3.358 ( -2.595 1.849 -0.203) 3.193 3.551 ( -6.235 -0.891 -1.417) 6.455 3.868 ( -4.402 -6.154 1.555) 7.724 4.233 ( 0.327 7.752 1.057) 7.831 4.404 ( 4.549 3.355 3.898) 6.866 4.676 ( 0.752 0.571 -7.323) 7.384 4.992 ( 0.073 1.784 0.014) 1.785 5.359 ( -3.443 -0.648 1.647) 3.871 5.649 ( -3.956 -3.795 1.975) 5.826 7.305 ( -6.013 2.998 14.145) 15.660 7.908 ( 10.023 4.025 -11.222) 15.576 9.495 ( -4.816 -3.128 13.699) 14.853 10.341 ( -0.100 -4.241 10.808) 11.611 11.187 ( -4.098 -1.198 -1.311) 4.466 11.291 ( -2.829 -3.326 -1.055) 4.492 13.941 ( -6.396 1.970 16.200) 17.528 14.427 ( 2.789 9.068 6.710) 11.621 15.613 ( 1.659 6.508 -0.091) 6.716 16.985 ( 1.041 5.310 -8.808) 10.337 ======================= Grid point 334 (166/282) ======================= q-point: (-0.30 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -2.460 6.741 7.311) 10.244 1.411 ( 4.572 4.253 9.592) 11.445 1.627 ( -5.724 -0.282 8.960) 10.636 1.810 ( -0.224 -1.186 -4.245) 4.413 3.014 ( 3.793 -0.632 -6.050) 7.169 3.279 ( -3.815 4.996 1.615) 6.490 3.513 ( 2.469 -2.264 -5.207) 6.192 3.905 ( -5.552 -6.144 3.179) 8.870 4.045 ( -5.449 9.615 -5.376) 12.290 4.506 ( 4.944 1.639 4.016) 6.577 4.623 ( 2.822 1.087 -2.928) 4.209 4.983 ( -0.975 1.227 2.977) 3.364 5.351 ( -2.503 -1.141 2.341) 3.612 5.672 ( -2.906 -3.521 2.348) 5.134 7.297 ( -6.943 4.746 14.057) 16.381 7.882 ( 9.401 5.403 -9.677) 14.533 9.513 ( -2.684 0.793 0.408) 2.828 10.445 ( -4.011 -6.918 -4.633) 9.242 11.186 ( -3.011 -2.355 9.035) 9.811 11.428 ( 1.454 -12.496 13.172) 18.215 13.953 ( -9.919 3.609 16.981) 19.994 14.386 ( 0.022 9.371 5.742) 10.990 15.503 ( -2.239 10.965 1.123) 11.247 16.768 ( -2.129 10.517 -14.992) 18.436 ======================= Grid point 335 (167/282) ======================= q-point: (-0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -0.326 4.846 11.030) 12.052 1.479 ( 0.751 4.291 7.831) 8.961 1.642 ( -3.945 -1.707 6.201) 7.545 1.794 ( 1.604 -1.032 -3.513) 3.997 3.000 ( 2.460 -0.218 -6.214) 6.687 3.176 ( -2.661 6.276 1.309) 6.941 3.566 ( 8.587 -2.365 -6.946) 11.295 3.790 ( -6.601 7.444 -7.481) 12.448 3.960 ( -2.875 -3.475 7.055) 8.373 4.500 ( -1.698 -0.596 -2.745) 3.282 4.710 ( 7.956 2.171 5.679) 10.013 4.978 ( -2.946 0.255 3.064) 4.258 5.361 ( -1.917 -1.276 2.626) 3.492 5.702 ( -2.182 -2.493 2.974) 4.452 7.258 ( -7.093 6.203 13.087) 16.126 7.844 ( 9.154 5.509 -9.538) 14.322 9.462 ( -0.973 1.813 -1.152) 2.358 10.320 ( -8.594 -4.047 -17.017) 19.489 11.294 ( -3.388 -3.395 14.636) 15.402 11.850 ( 2.613 -24.522 16.396) 29.614 13.882 ( -14.821 6.760 17.400) 23.836 14.290 ( -2.139 9.848 3.547) 10.683 15.308 ( -4.630 14.301 2.008) 15.165 16.441 ( 0.821 15.077 -17.143) 22.845 ======================= Grid point 336 (168/282) ======================= q-point: (-0.10 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 1.744 3.474 11.824) 12.446 1.474 ( -5.227 0.691 7.678) 9.314 1.654 ( -0.822 0.293 0.176) 0.891 1.813 ( 2.346 -0.927 -2.682) 3.682 2.990 ( 3.217 -1.008 -5.460) 6.417 3.093 ( 0.905 5.846 1.020) 6.003 3.558 ( -4.462 7.500 -6.476) 10.867 3.647 ( 10.780 -0.768 -8.578) 13.798 4.062 ( -1.019 -4.681 9.755) 10.868 4.475 ( -2.071 -1.844 -0.600) 2.837 4.822 ( 5.628 2.205 4.957) 7.817 4.947 ( -4.363 0.189 1.320) 4.562 5.379 ( -1.569 -1.188 2.846) 3.460 5.729 ( -1.772 -1.136 3.702) 4.259 7.189 ( -7.599 7.126 11.562) 15.563 7.825 ( 10.871 3.430 -10.140) 15.256 9.441 ( 0.951 1.977 2.489) 3.318 10.077 ( -13.020 -3.111 -15.487) 20.470 11.431 ( -4.085 -4.215 15.842) 16.894 12.264 ( -9.296 -25.818 7.673) 28.493 13.744 ( -11.383 8.602 15.729) 21.236 14.160 ( -2.193 8.983 1.425) 9.356 15.092 ( -1.421 14.668 1.593) 14.823 16.169 ( 8.669 14.606 -12.850) 21.298 ======================= Grid point 340 (169/282) ======================= q-point: ( 0.30 0.30 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 2.619 0.000 2.733) 3.786 1.408 ( -1.170 -0.000 4.839) 4.978 1.495 ( -5.036 -0.000 7.582) 9.102 1.825 ( 0.160 0.000 -3.959) 3.963 2.970 ( 1.362 0.000 -5.127) 5.305 3.337 ( 3.647 0.000 -0.919) 3.761 3.490 ( -1.050 -0.000 6.786) 6.866 3.972 ( -6.181 -0.000 -1.401) 6.338 4.137 ( 1.091 0.000 4.807) 4.929 4.540 ( 0.985 0.000 6.326) 6.403 4.681 ( 8.574 0.000 -10.422) 13.496 5.079 ( 0.962 0.000 -4.123) 4.234 5.444 ( -4.331 -0.000 2.024) 4.781 5.647 ( -6.296 -0.000 0.946) 6.367 7.191 ( -0.459 -0.000 12.449) 12.457 7.966 ( 10.812 0.000 -15.489) 18.889 9.115 ( -18.979 -0.000 31.498) 36.774 10.144 ( 4.981 0.000 10.475) 11.599 11.308 ( -7.247 -0.000 -3.979) 8.268 11.571 ( -4.511 -0.000 -13.022) 13.782 13.891 ( -4.021 -0.000 11.096) 11.802 14.556 ( 3.838 0.000 8.675) 9.486 15.497 ( 14.034 0.000 -2.768) 14.304 16.917 ( 13.194 0.000 2.265) 13.387 ======================= Grid point 341 (170/282) ======================= q-point: ( 0.40 0.30 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 0.732 4.567 3.303) 5.683 1.426 ( -3.330 1.664 8.830) 9.582 1.540 ( -0.021 -2.326 4.992) 5.508 1.788 ( 0.161 -0.361 -3.976) 3.995 2.957 ( 3.656 0.224 -4.625) 5.900 3.363 ( 0.585 -1.446 -2.131) 2.640 3.531 ( -4.388 -1.686 7.811) 9.116 3.833 ( -8.531 -0.720 -4.224) 9.546 4.262 ( 6.221 2.077 10.748) 12.591 4.574 ( -0.194 3.128 2.768) 4.181 4.694 ( 6.857 -0.805 -10.156) 12.281 5.048 ( 0.915 0.214 -4.723) 4.815 5.394 ( -5.424 0.001 1.506) 5.629 5.583 ( -6.302 -1.519 1.485) 6.650 7.295 ( -1.508 0.496 13.625) 13.717 7.975 ( 11.792 0.942 -14.039) 18.358 9.216 ( -13.392 -2.556 33.740) 36.390 10.265 ( 3.738 1.106 5.206) 6.504 11.199 ( -6.052 -0.768 -1.714) 6.337 11.394 ( -3.619 -0.037 -14.553) 14.996 13.949 ( -3.942 1.480 15.350) 15.917 14.631 ( 2.259 4.909 7.658) 9.373 15.639 ( 10.556 -0.313 -2.351) 10.820 17.060 ( 8.143 0.701 -0.699) 8.203 ======================= Grid point 342 (171/282) ======================= q-point: (-0.50 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -2.308 6.506 2.643) 7.392 1.446 ( -1.109 2.894 9.191) 9.700 1.605 ( -0.629 -1.354 4.387) 4.634 1.781 ( 1.286 -1.261 -2.383) 2.987 2.977 ( 5.590 0.038 -4.238) 7.015 3.352 ( -0.667 -1.608 -3.760) 4.143 3.538 ( -7.462 -0.519 6.632) 9.997 3.742 ( -4.407 -3.137 -1.761) 5.689 4.397 ( 4.270 4.610 9.205) 11.145 4.508 ( -0.980 4.399 -0.270) 4.515 4.681 ( 3.306 -0.325 -9.863) 10.407 5.026 ( 1.326 0.826 -1.740) 2.338 5.343 ( -4.959 -0.506 1.899) 5.334 5.558 ( -4.651 -3.049 2.304) 6.020 7.371 ( -4.031 1.987 15.046) 15.703 7.993 ( 12.118 2.532 -11.597) 16.963 9.395 ( -8.957 -3.784 26.645) 28.364 10.307 ( 2.225 0.446 -0.882) 2.435 11.151 ( -5.432 -1.307 3.975) 6.857 11.244 ( -2.604 -0.933 -9.714) 10.100 14.019 ( -3.715 3.088 17.782) 18.427 14.641 ( 1.380 6.922 6.625) 9.680 15.722 ( 6.606 2.273 -1.238) 7.095 17.084 ( 2.852 2.613 -5.458) 6.690 ======================= Grid point 343 (172/282) ======================= q-point: (-0.40 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -2.983 5.979 2.779) 7.236 1.497 ( 1.898 2.520 8.954) 9.494 1.630 ( -3.262 -0.172 4.638) 5.673 1.791 ( 1.264 -0.315 -2.141) 2.506 3.010 ( 5.248 0.464 -4.241) 6.763 3.335 ( 1.309 -1.052 -4.664) 4.957 3.490 ( -4.929 0.863 3.747) 6.252 3.748 ( -4.286 -5.279 1.538) 6.971 4.279 ( -5.549 8.300 -4.336) 10.885 4.559 ( 3.339 2.412 1.854) 4.517 4.644 ( 4.376 0.331 -2.003) 4.824 5.021 ( -0.017 1.535 1.393) 2.073 5.319 ( -3.742 -1.276 2.508) 4.683 5.578 ( -2.628 -3.610 2.940) 5.346 7.407 ( -5.982 3.721 15.971) 17.456 8.008 ( 10.958 4.324 -9.246) 14.975 9.496 ( -6.659 -1.664 9.849) 12.005 10.312 ( -0.567 -3.180 -5.604) 6.469 11.146 ( -2.954 -0.861 6.615) 7.296 11.233 ( -2.302 -4.405 6.476) 8.163 14.078 ( -4.656 5.120 18.487) 19.740 14.611 ( -0.093 7.766 5.531) 9.535 15.725 ( 2.933 6.368 0.394) 7.022 16.969 ( -1.201 5.694 -10.666) 12.150 ======================= Grid point 344 (173/282) ======================= q-point: (-0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -2.001 3.885 5.709) 7.190 1.556 ( -2.110 1.577 5.253) 5.877 1.631 ( -0.075 0.633 5.527) 5.564 1.786 ( 1.337 0.489 -1.921) 2.391 3.014 ( 3.592 1.360 -4.749) 6.108 3.310 ( 0.678 3.083 -1.783) 3.625 3.498 ( 2.715 -2.390 -0.669) 3.678 3.769 ( -4.716 -4.565 0.777) 6.609 4.065 ( -4.751 7.643 -2.942) 9.468 4.504 ( -0.236 1.010 -7.085) 7.161 4.759 ( 6.792 1.351 7.430) 10.157 5.002 ( -2.540 1.644 2.413) 3.869 5.321 ( -2.693 -1.771 2.730) 4.224 5.628 ( -1.023 -3.165 3.488) 4.820 7.409 ( -6.541 5.386 15.611) 17.762 7.993 ( 8.605 5.880 -8.231) 13.281 9.470 ( -4.543 -0.781 0.017) 4.609 10.230 ( -4.980 -2.868 -14.316) 15.426 11.227 ( -4.008 -1.763 15.048) 15.672 11.412 ( 0.804 -10.987 14.718) 18.384 14.081 ( -7.672 8.073 18.224) 21.358 14.534 ( -2.385 8.760 3.948) 9.900 15.641 ( -0.328 11.269 2.216) 11.489 16.740 ( -1.837 8.880 -14.286) 16.921 ======================= Grid point 345 (174/282) ======================= q-point: (-0.20 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -0.262 1.336 8.363) 8.473 1.496 ( -8.313 1.280 4.384) 9.485 1.689 ( 2.860 1.534 1.588) 3.613 1.789 ( 2.114 -0.207 -1.395) 2.541 2.996 ( 3.616 1.456 -5.012) 6.349 3.257 ( 1.444 5.999 0.829) 6.226 3.566 ( 1.949 -3.819 -3.299) 5.410 3.720 ( 0.219 2.698 -6.308) 6.865 3.989 ( -0.715 -0.043 5.714) 5.759 4.438 ( -0.956 -0.545 -4.750) 4.876 4.880 ( 5.625 1.987 5.312) 7.988 4.957 ( -4.659 0.845 2.246) 5.241 5.339 ( -1.880 -1.867 2.746) 3.816 5.688 ( -0.188 -2.083 3.964) 4.481 7.377 ( -6.671 7.168 13.821) 16.938 7.942 ( 7.297 5.698 -8.666) 12.681 9.441 ( -2.814 -2.057 1.337) 3.733 10.025 ( -8.187 -0.655 -16.115) 18.087 11.334 ( -4.947 -3.129 15.242) 16.327 11.729 ( -1.564 -15.894 14.930) 21.863 13.997 ( -10.200 10.855 16.621) 22.319 14.399 ( -4.955 9.436 2.621) 10.976 15.483 ( -1.067 15.118 2.981) 15.446 16.487 ( 2.236 10.173 -13.840) 17.321 ======================= Grid point 346 (175/282) ======================= q-point: (-0.10 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -2.394 0.259 5.991) 6.457 1.443 ( -5.490 -0.685 7.522) 9.337 1.668 ( -0.333 2.506 -3.171) 4.055 1.809 ( 1.748 -0.274 -1.791) 2.518 2.988 ( 3.608 0.590 -4.332) 5.668 3.231 ( 4.980 6.434 2.481) 8.506 3.513 ( -4.151 2.428 -4.093) 6.315 3.710 ( 9.724 0.598 -7.223) 12.128 4.089 ( 1.002 -3.963 7.709) 8.726 4.416 ( -0.927 -2.409 -1.657) 3.068 4.856 ( -5.518 1.782 -0.936) 5.874 4.989 ( 3.865 1.238 4.429) 6.007 5.367 ( -1.214 -1.710 2.988) 3.650 5.739 ( -0.436 -0.761 4.118) 4.210 7.296 ( -7.579 8.662 11.155) 16.028 7.906 ( 8.942 3.027 -9.670) 13.514 9.476 ( -3.686 -3.307 7.336) 8.850 9.780 ( -9.422 1.170 -11.436) 14.864 11.445 ( -5.805 -4.505 13.860) 15.687 11.967 ( -8.751 -13.931 8.512) 18.523 13.878 ( -6.784 9.523 13.012) 17.493 14.227 ( -6.993 8.104 2.113) 10.911 15.320 ( 3.261 15.148 2.122) 15.640 16.329 ( 8.536 8.888 -8.977) 15.246 ======================= Grid point 351 (176/282) ======================= q-point: ( 0.40 0.40 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -0.135 -0.000 -0.514) 0.531 1.464 ( -5.436 -0.000 11.719) 12.919 1.570 ( 1.861 0.000 2.830) 3.387 1.765 ( 1.770 0.000 -2.049) 2.708 2.982 ( 6.047 0.000 -4.080) 7.295 3.322 ( -2.024 -0.000 -2.609) 3.302 3.529 ( -5.565 -0.000 8.185) 9.898 3.707 ( -4.703 -0.000 -3.508) 5.868 4.455 ( 5.215 0.000 12.956) 13.966 4.580 ( -4.676 -0.000 -0.609) 4.715 4.667 ( 6.032 0.000 -12.686) 14.047 5.035 ( 2.064 0.000 -2.422) 3.182 5.337 ( -5.634 -0.000 2.082) 6.006 5.516 ( -4.916 -0.000 2.464) 5.499 7.397 ( -3.305 -0.000 15.303) 15.656 8.027 ( 13.128 0.000 -12.036) 17.811 9.342 ( -10.159 -0.000 30.887) 32.515 10.319 ( 3.493 0.000 -5.529) 6.540 11.133 ( -5.760 -0.000 5.680) 8.090 11.232 ( -2.455 -0.000 -11.827) 12.079 14.062 ( -3.437 -0.000 18.320) 18.639 14.735 ( -0.420 -0.000 6.606) 6.619 15.746 ( 8.972 0.000 -1.791) 9.149 17.117 ( 3.294 0.000 -4.380) 5.480 ======================= Grid point 352 (177/282) ======================= q-point: (-0.50 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( -3.575 4.625 -0.819) 5.903 1.514 ( -3.079 -1.456 8.573) 9.224 1.618 ( 1.314 -0.182 2.281) 2.638 1.790 ( 2.634 0.120 0.026) 2.637 3.033 ( 7.460 0.985 -3.283) 8.209 3.280 ( -0.998 -1.992 -4.248) 4.797 3.517 ( -6.549 0.688 7.338) 9.859 3.658 ( -1.510 -1.749 -1.085) 2.552 4.442 ( -7.071 4.005 -5.187) 9.641 4.610 ( 2.624 1.188 -1.894) 3.448 4.637 ( 4.960 -0.618 2.186) 5.456 5.049 ( 1.329 0.580 0.458) 1.520 5.295 ( -4.682 -0.492 2.948) 5.554 5.507 ( -2.346 -1.691 3.445) 4.498 7.475 ( -5.723 1.440 17.224) 18.207 8.087 ( 12.497 1.671 -9.855) 16.003 9.458 ( -8.993 -0.946 19.014) 21.054 10.270 ( 2.837 -0.594 -14.048) 14.344 11.139 ( -3.125 0.277 5.875) 6.660 11.162 ( -3.029 -1.652 5.075) 6.137 14.175 ( -3.200 2.116 19.167) 19.547 14.751 ( -2.022 2.948 5.374) 6.455 15.827 ( 6.518 1.875 -0.174) 6.784 17.063 ( -1.060 1.815 -8.492) 8.748 ======================= Grid point 353 (178/282) ======================= q-point: (-0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -4.080 3.677 0.906) 5.567 1.554 ( -3.546 -1.559 4.057) 5.610 1.658 ( 2.286 1.100 4.114) 4.833 1.811 ( 1.814 1.188 -0.134) 2.173 3.067 ( 5.181 2.744 -2.913) 6.546 3.291 ( 4.553 -3.621 -6.405) 8.652 3.484 ( -6.226 0.678 6.379) 8.939 3.679 ( 0.270 -2.289 1.040) 2.529 4.233 ( -7.618 5.122 -6.002) 10.967 4.539 ( 1.795 1.359 -10.560) 10.797 4.777 ( 3.407 0.204 10.687) 11.219 5.047 ( -1.275 1.494 1.432) 2.431 5.282 ( -3.315 -1.072 3.347) 4.831 5.553 ( -0.069 -2.492 4.054) 4.759 7.519 ( -7.208 3.170 18.228) 19.856 8.119 ( 9.760 3.690 -8.147) 13.238 9.452 ( -8.539 -0.289 4.622) 9.714 10.171 ( 0.901 -1.845 -17.588) 17.708 11.200 ( -3.284 -0.614 14.943) 15.312 11.237 ( -1.074 -3.689 11.276) 11.913 14.253 ( -4.013 5.046 18.527) 19.617 14.708 ( -3.656 4.778 4.180) 7.326 15.856 ( 3.912 5.644 2.169) 7.202 16.901 ( -3.705 4.078 -11.984) 13.190 ======================= Grid point 354 (179/282) ======================= q-point: (-0.30 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -3.754 0.705 3.748) 5.351 1.525 ( -5.532 0.545 1.948) 5.890 1.717 ( 2.778 0.819 2.856) 4.068 1.811 ( 1.628 1.579 -0.295) 2.287 3.053 ( 3.674 2.878 -4.081) 6.200 3.345 ( 6.918 -0.150 -5.164) 8.634 3.464 ( -5.800 -2.810 3.824) 7.494 3.734 ( 3.849 -0.450 0.499) 3.907 4.049 ( -5.259 3.504 -2.075) 6.651 4.451 ( 0.691 1.284 -8.540) 8.664 4.900 ( 2.532 -0.191 8.674) 9.038 5.001 ( -3.850 2.220 1.002) 4.556 5.293 ( -2.132 -1.528 3.105) 4.065 5.630 ( 1.244 -2.327 4.250) 5.002 7.532 ( -7.414 4.932 17.196) 19.365 8.092 ( 6.226 5.563 -7.721) 11.372 9.376 ( -7.591 -2.185 0.626) 7.924 10.021 ( -1.156 -0.268 -18.619) 18.657 11.280 ( -6.433 -1.232 15.549) 16.872 11.443 ( 1.314 -7.474 15.199) 16.988 14.257 ( -6.365 9.037 16.826) 20.132 14.609 ( -5.888 6.662 3.454) 9.539 15.815 ( 1.007 10.667 4.141) 11.487 16.680 ( -2.667 5.276 -13.135) 14.405 ======================= Grid point 355 (180/282) ======================= q-point: (-0.20 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -5.051 -2.289 4.279) 7.004 1.461 ( -4.893 1.524 3.774) 6.365 1.723 ( -0.516 1.663 -2.074) 2.708 1.819 ( 2.204 1.127 0.244) 2.487 3.026 ( 3.577 2.174 -5.025) 6.540 3.373 ( 4.704 4.063 0.737) 6.259 3.470 ( -2.421 -4.541 -1.585) 5.385 3.762 ( 4.605 2.947 -2.706) 6.100 4.020 ( 1.014 -1.646 3.815) 4.277 4.383 ( -0.231 -0.133 -5.370) 5.376 4.913 ( -5.472 2.513 -0.217) 6.025 4.999 ( 2.214 -0.276 5.987) 6.389 5.319 ( -1.203 -1.896 2.741) 3.544 5.709 ( 1.179 -1.548 4.076) 4.516 7.500 ( -7.679 7.027 13.759) 17.253 8.016 ( 4.905 5.424 -8.341) 11.093 9.348 ( -8.704 -5.523 5.508) 11.687 9.837 ( -1.121 2.264 -15.319) 15.526 11.350 ( -6.560 -2.804 13.453) 15.227 11.674 ( -1.873 -9.049 12.034) 15.172 14.162 ( -7.689 11.927 13.182) 19.369 14.450 ( -9.197 8.831 4.563) 13.542 15.689 ( -0.943 13.660 3.198) 14.061 16.509 ( 2.973 5.032 -9.520) 11.171 ======================= Grid point 356 (181/282) ======================= q-point: (-0.10 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -7.158 -2.508 2.038) 7.854 1.457 ( -2.846 -1.068 6.404) 7.089 1.638 ( -3.505 2.278 -4.598) 6.214 1.828 ( 1.380 1.434 -0.059) 1.991 3.004 ( 3.089 1.090 -4.837) 5.842 3.386 ( 2.665 3.089 2.003) 4.545 3.483 ( 2.411 1.349 0.080) 2.764 3.772 ( 5.730 0.634 -3.956) 6.991 4.120 ( 2.869 -2.668 4.249) 5.779 4.357 ( -1.494 -2.524 -2.052) 3.580 4.801 ( -4.503 2.852 -2.432) 5.859 5.069 ( 1.784 -0.157 3.370) 3.817 5.359 ( -0.284 -2.089 2.715) 3.437 5.763 ( -0.232 -0.445 3.617) 3.652 7.395 ( -8.988 8.658 9.734) 15.827 7.960 ( 7.206 2.699 -9.636) 12.331 9.356 ( -14.767 -5.652 10.917) 19.214 9.712 ( 3.143 2.557 -5.556) 6.877 11.418 ( -6.440 -4.100 10.378) 12.883 11.808 ( -6.095 -7.425 5.557) 11.098 14.029 ( -5.216 10.410 9.560) 15.065 14.240 ( -11.647 8.967 5.342) 15.639 15.540 ( 0.958 11.303 0.831) 11.374 16.471 ( 9.429 4.852 -3.262) 11.095 ======================= Grid point 362 (182/282) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -5.255 -0.000 -1.878) 5.581 1.517 ( -2.904 -0.000 4.753) 5.570 1.673 ( 2.461 0.000 3.471) 4.255 1.829 ( 2.024 0.000 0.639) 2.123 3.127 ( 9.124 0.000 -2.401) 9.434 3.214 ( -0.289 -0.000 -4.864) 4.873 3.494 ( -7.236 -0.000 5.992) 9.395 3.652 ( 2.398 0.000 0.813) 2.533 4.302 ( -8.697 -0.000 -7.495) 11.481 4.558 ( 3.130 0.000 -12.041) 12.441 4.778 ( 1.559 0.000 12.532) 12.629 5.066 ( -0.838 -0.000 1.034) 1.330 5.270 ( -3.389 -0.000 3.938) 5.196 5.518 ( 0.264 0.000 4.292) 4.300 7.561 ( -7.720 -0.000 19.503) 20.975 8.166 ( 10.531 0.000 -8.589) 13.589 9.451 ( -10.014 -0.000 7.608) 12.577 10.145 ( 3.291 0.000 -20.525) 20.787 11.183 ( 1.600 0.000 8.418) 8.569 11.204 ( -6.421 -0.000 16.690) 17.882 14.319 ( -2.697 -0.000 18.570) 18.765 14.769 ( -4.291 -0.000 4.238) 6.031 15.927 ( 5.754 0.000 2.106) 6.127 16.952 ( -4.388 -0.000 -11.218) 12.046 ======================= Grid point 363 (183/282) ======================= q-point: (-0.40 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -6.053 1.299 1.024) 6.275 1.516 ( -2.814 -0.792 1.524) 3.297 1.732 ( 2.272 0.312 2.791) 3.613 1.847 ( 1.315 0.919 0.189) 1.616 3.137 ( 2.934 3.661 -4.287) 6.355 3.260 ( 6.240 -4.460 -3.673) 8.504 3.446 ( -6.033 0.065 3.266) 6.861 3.725 ( 5.556 -0.158 3.462) 6.549 4.120 ( -7.712 1.644 -5.713) 9.738 4.483 ( 2.041 0.852 -11.079) 11.298 4.891 ( -0.305 -0.287 11.010) 11.018 5.040 ( -3.483 0.691 0.550) 3.593 5.273 ( -2.029 -0.115 3.997) 4.484 5.581 ( 1.957 -1.215 4.532) 5.084 7.619 ( -8.914 1.842 20.306) 22.253 8.194 ( 6.879 2.132 -7.870) 10.668 9.349 ( -10.388 -0.221 0.394) 10.398 10.006 ( 3.064 -0.652 -21.056) 21.288 11.265 ( -7.098 -0.135 15.974) 17.481 11.324 ( 1.539 -2.261 14.341) 14.600 14.423 ( -2.693 3.563 16.840) 17.423 14.722 ( -6.070 2.238 3.574) 7.391 16.003 ( 4.406 3.926 5.083) 7.789 16.763 ( -6.144 1.459 -13.041) 14.490 ======================= Grid point 364 (184/282) ======================= q-point: (-0.30 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -7.128 -0.195 3.795) 8.077 1.490 ( -3.019 0.491 1.065) 3.239 1.751 ( -0.572 0.685 -0.710) 1.140 1.853 ( 1.677 1.203 0.398) 2.102 3.090 ( 2.904 2.779 -5.566) 6.866 3.340 ( -2.138 -5.126 -0.366) 5.566 3.427 ( 4.495 0.687 -1.264) 4.719 3.832 ( 5.328 2.115 3.587) 6.762 3.999 ( -2.941 -0.158 -0.395) 2.972 4.398 ( 0.694 0.924 -9.167) 9.240 4.958 ( -4.539 0.652 4.231) 6.239 4.991 ( -1.452 -0.107 4.038) 4.292 5.287 ( -1.202 -0.420 3.135) 3.383 5.667 ( 2.280 -1.549 4.167) 4.996 7.639 ( -9.145 3.866 17.775) 20.359 8.147 ( 3.306 4.186 -8.039) 9.648 9.239 ( -10.388 -2.754 2.630) 11.064 9.869 ( 2.771 0.269 -18.558) 18.765 11.306 ( -7.495 -0.763 13.464) 15.428 11.505 ( -0.334 -4.517 13.487) 14.227 14.435 ( -4.618 8.882 12.740) 16.203 14.629 ( -7.341 4.587 5.446) 10.227 15.998 ( -0.229 10.434 5.464) 11.781 16.573 ( -2.526 0.090 -10.939) 11.227 ======================= Grid point 365 (185/282) ======================= q-point: (-0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -8.940 -1.864 4.435) 10.152 1.458 ( -2.740 0.817 2.373) 3.716 1.681 ( -4.900 1.123 -3.978) 6.411 1.866 ( 1.837 1.306 0.665) 2.350 3.044 ( 2.748 2.050 -5.861) 6.790 3.357 ( -3.966 -4.212 2.522) 6.311 3.506 ( 9.897 -0.005 -3.352) 10.449 3.825 ( -1.113 3.488 1.846) 4.100 4.073 ( 6.139 -1.429 4.108) 7.523 4.322 ( -1.164 -0.354 -6.355) 6.471 4.871 ( -4.876 2.379 -1.315) 5.582 5.046 ( -0.874 -1.544 5.066) 5.368 5.312 ( -0.192 -1.278 2.341) 2.674 5.742 ( 1.201 -1.096 3.508) 3.866 7.587 ( -9.995 6.158 11.790) 16.638 8.052 ( 2.877 4.097 -8.832) 10.152 9.213 ( -11.422 -5.096 11.267) 16.834 9.758 ( 3.500 0.924 -12.363) 12.883 11.336 ( -7.052 -2.217 10.371) 12.736 11.645 ( -3.097 -5.266 8.345) 10.343 14.309 ( -6.655 10.910 6.039) 14.134 14.508 ( -9.075 10.340 10.307) 17.190 15.823 ( -6.327 11.807 0.037) 13.396 16.543 ( 6.197 0.065 -2.524) 6.691 ======================= Grid point 366 (186/282) ======================= q-point: (-0.10 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -7.817 -3.073 3.410) 9.065 1.425 ( -6.457 -0.613 1.034) 6.568 1.566 ( -5.643 0.497 -0.655) 5.702 1.874 ( 1.771 2.012 0.560) 2.738 3.007 ( 2.553 1.216 -5.539) 6.219 3.394 ( -1.524 -2.610 3.097) 4.328 3.606 ( 9.463 0.930 -0.933) 9.554 3.797 ( -0.109 1.100 0.537) 1.229 4.195 ( 4.969 0.565 4.282) 6.583 4.265 ( -3.522 -2.568 -3.772) 5.764 4.770 ( -2.188 2.526 -3.399) 4.766 5.086 ( -1.070 -1.775 1.803) 2.747 5.357 ( 0.813 -1.994 1.856) 2.842 5.782 ( -0.745 -0.113 2.902) 2.998 7.444 ( -11.207 7.191 7.587) 15.325 7.979 ( 5.197 1.691 -11.165) 12.430 9.246 ( -12.259 -2.379 17.835) 21.773 9.748 ( 4.450 -1.272 -0.675) 4.677 11.364 ( -6.206 -3.450 6.785) 9.821 11.697 ( -5.351 -4.277 1.940) 7.119 14.148 ( -4.628 7.950 3.490) 9.839 14.300 ( -12.329 15.160 11.033) 22.440 15.619 ( -4.787 6.021 -1.622) 7.861 16.643 ( 10.770 2.120 1.955) 11.149 ======================= Grid point 373 (187/282) ======================= q-point: (-0.40 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -7.753 -0.000 3.413) 8.471 1.492 ( -1.949 -0.000 0.648) 2.054 1.760 ( -0.584 -0.000 -0.245) 0.633 1.869 ( 1.225 0.000 0.125) 1.231 3.144 ( 3.698 0.000 -7.598) 8.450 3.253 ( -3.191 -0.000 1.781) 3.655 3.432 ( 3.556 0.000 -1.452) 3.841 3.858 ( 7.901 0.000 6.384) 10.158 4.000 ( -5.972 -0.000 -2.913) 6.645 4.413 ( 1.176 0.000 -10.760) 10.824 4.962 ( -2.541 -0.000 9.677) 10.005 4.989 ( -4.930 -0.000 -0.305) 4.940 5.287 ( -1.204 -0.000 3.432) 3.637 5.645 ( 2.673 0.000 4.343) 5.099 7.689 ( -10.281 -0.000 20.008) 22.495 8.202 ( 3.275 0.000 -8.186) 8.817 9.207 ( -11.178 -0.000 1.067) 11.229 9.868 ( 4.165 0.000 -19.746) 20.181 11.300 ( -7.797 -0.000 13.376) 15.483 11.446 ( -0.278 -0.000 13.978) 13.981 14.563 ( -1.202 -0.000 14.505) 14.555 14.677 ( -7.894 -0.000 3.427) 8.605 16.154 ( 4.912 0.000 8.887) 10.154 16.555 ( -8.285 -0.000 -13.943) 16.219 ======================= Grid point 374 (188/282) ======================= q-point: (-0.30 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -9.588 0.271 5.720) 11.168 1.474 ( -1.873 0.235 0.909) 2.095 1.698 ( -6.182 0.295 -3.648) 7.185 1.888 ( 1.803 0.413 0.463) 1.906 3.109 ( 3.485 2.886 -6.608) 8.009 3.238 ( -4.337 -4.301 1.887) 6.393 3.489 ( 6.635 -0.683 -2.765) 7.220 3.911 ( -2.736 2.500 1.192) 3.893 4.039 ( 7.784 -1.150 7.181) 10.653 4.326 ( -0.114 0.314 -9.687) 9.693 4.912 ( -5.092 0.884 -1.031) 5.270 5.005 ( -3.455 -1.287 6.829) 7.760 5.300 ( -0.489 0.062 2.262) 2.316 5.717 ( 2.135 -0.646 3.720) 4.337 7.695 ( -11.263 2.244 14.711) 18.663 8.135 ( 0.505 1.925 -9.043) 9.259 9.122 ( -10.253 -1.894 9.970) 14.426 9.763 ( 4.218 -0.160 -15.938) 16.487 11.304 ( -7.898 -0.496 10.078) 12.814 11.552 ( -2.345 -1.973 10.140) 10.593 14.546 ( -7.960 6.887 4.809) 11.572 14.666 ( -2.642 1.538 10.846) 11.269 16.152 ( -5.328 13.593 -0.244) 14.602 16.443 ( 1.306 -8.233 -1.674) 8.502 ======================= Grid point 375 (189/282) ======================= q-point: (-0.20 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -11.011 -0.412 6.789) 12.942 1.433 ( -5.473 0.716 -1.706) 5.777 1.564 ( -8.270 -0.397 -0.498) 8.295 1.912 ( 2.249 0.913 0.682) 2.521 3.055 ( 2.210 2.738 -5.120) 6.213 3.284 ( -1.782 -5.391 2.318) 6.132 3.564 ( 6.560 -2.594 -3.839) 8.032 3.872 ( -0.817 3.290 3.343) 4.761 4.203 ( 2.143 -0.042 6.909) 7.234 4.242 ( 3.171 0.306 -7.141) 7.819 4.820 ( -4.318 1.355 -2.715) 5.278 5.028 ( -3.685 -2.398 3.436) 5.580 5.321 ( 0.715 -0.752 1.380) 1.727 5.774 ( 0.692 -0.413 3.058) 3.162 7.595 ( -12.749 4.367 7.421) 15.384 8.027 ( 0.622 1.786 -10.538) 10.706 9.182 ( -7.249 -2.211 22.129) 23.391 9.710 ( 3.885 -1.517 -8.992) 9.912 11.297 ( -7.015 -1.769 7.096) 10.134 11.606 ( -3.951 -2.677 4.395) 6.488 14.368 ( -9.070 8.675 3.665) 13.075 14.655 ( -3.946 9.651 10.222) 14.602 15.831 ( -10.974 11.647 -5.215) 16.831 16.622 ( 7.926 -4.327 5.229) 10.435 ======================= Grid point 376 (190/282) ======================= q-point: (-0.10 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -9.000 -2.786 6.060) 11.202 1.275 ( -13.231 -1.275 -2.223) 13.477 1.531 ( -4.054 -0.245 6.285) 7.483 1.928 ( 2.200 1.809 0.118) 2.850 3.012 ( 2.603 1.821 -4.784) 5.743 3.346 ( -3.078 -4.859 2.957) 6.468 3.659 ( 6.794 -4.961 -4.975) 9.774 3.866 ( 1.808 4.769 5.370) 7.406 4.132 ( -6.327 -1.460 -3.978) 7.615 4.338 ( 5.926 2.975 4.347) 7.929 4.733 ( -2.057 0.536 -3.739) 4.301 5.029 ( -3.796 -3.061 -0.304) 4.886 5.359 ( 1.187 -1.596 0.662) 2.097 5.796 ( -1.063 0.486 2.622) 2.871 7.422 ( -12.988 4.539 5.876) 14.961 7.931 ( 2.517 0.011 -12.989) 13.231 9.327 ( -3.434 2.552 22.677) 23.077 9.779 ( 3.852 -4.926 6.034) 8.690 11.296 ( -5.676 -2.786 4.486) 7.752 11.594 ( -4.691 -2.190 -1.501) 5.391 14.195 ( -6.599 6.704 3.943) 10.200 14.477 ( -8.914 18.710 8.772) 22.505 15.565 ( -8.550 3.162 -2.831) 9.546 16.806 ( 8.934 -1.012 3.001) 9.478 ======================= Grid point 384 (191/282) ======================= q-point: (-0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -11.757 -0.000 7.450) 13.919 1.444 ( -5.359 -0.000 -2.248) 5.811 1.557 ( -9.319 -0.000 -0.344) 9.325 1.922 ( 2.416 0.000 0.675) 2.509 3.142 ( 7.488 0.000 -9.180) 11.847 3.159 ( -6.698 -0.000 5.333) 8.562 3.526 ( 3.737 0.000 -2.514) 4.504 3.918 ( 0.139 0.000 2.001) 2.006 4.203 ( 1.181 0.000 7.272) 7.367 4.248 ( 5.417 0.000 -6.846) 8.731 4.837 ( -4.816 -0.000 -2.950) 5.647 4.992 ( -5.099 -0.000 4.756) 6.973 5.313 ( 0.283 0.000 1.110) 1.146 5.767 ( 1.311 0.000 3.233) 3.489 7.652 ( -13.355 -0.000 7.696) 15.414 8.052 ( -1.328 -0.000 -10.442) 10.526 9.152 ( -5.345 -0.000 23.856) 24.447 9.687 ( 3.651 0.000 -12.355) 12.883 11.275 ( -7.521 -0.000 7.055) 10.312 11.571 ( -3.542 -0.000 5.402) 6.460 14.503 ( -10.820 -0.000 4.585) 11.751 14.755 ( 0.068 0.000 8.138) 8.138 16.073 ( -9.512 -0.000 -13.748) 16.718 16.497 ( 5.319 0.000 14.100) 15.070 ======================= Grid point 385 (192/282) ======================= q-point: (-0.20 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -13.087 -0.202 8.551) 15.634 1.255 ( -15.560 -0.424 -3.849) 16.034 1.526 ( -3.479 -0.094 6.762) 7.605 1.957 ( 2.430 0.514 0.371) 2.511 3.080 ( -1.020 3.556 -0.890) 3.805 3.209 ( 1.222 -5.272 -2.297) 5.879 3.554 ( 2.252 -2.611 -2.895) 4.502 3.955 ( 3.594 1.959 3.823) 5.601 4.123 ( -4.230 0.221 -6.258) 7.557 4.395 ( 7.305 1.284 7.774) 10.745 4.738 ( -5.055 -0.038 -4.675) 6.885 4.962 ( -5.517 -1.697 1.514) 5.968 5.331 ( 0.984 -0.565 0.378) 1.196 5.803 ( 0.098 0.122 2.837) 2.841 7.505 ( -14.500 1.775 3.870) 15.112 7.935 ( -0.742 0.183 -11.974) 11.998 9.393 ( 3.167 2.196 31.284) 31.520 9.657 ( 2.676 -3.692 -4.499) 6.406 11.247 ( -6.207 -1.036 5.288) 8.220 11.554 ( -3.806 -0.864 0.083) 3.904 14.368 ( -10.902 5.131 5.008) 13.048 14.788 ( -0.790 4.429 5.152) 6.840 15.764 ( -10.134 9.999 -9.945) 17.366 16.716 ( 5.573 -4.761 8.996) 11.604 ======================= Grid point 386 (193/282) ======================= q-point: (-0.10 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -11.181 -2.681 7.805) 13.897 1.067 ( -15.312 -2.550 5.010) 16.311 1.553 ( -3.350 0.276 8.943) 9.554 1.970 ( 1.521 1.259 -0.889) 2.165 3.029 ( 0.178 1.701 -1.483) 2.263 3.256 ( -1.576 -4.505 -1.193) 4.920 3.607 ( 2.772 -5.615 -4.287) 7.589 4.000 ( -5.639 0.526 -4.989) 7.547 4.028 ( 5.425 3.179 5.905) 8.626 4.469 ( 0.679 4.522 1.751) 4.896 4.667 ( -1.962 -2.337 -1.152) 3.261 4.924 ( -4.478 -2.771 -1.301) 5.425 5.356 ( 0.556 -1.172 0.157) 1.307 5.814 ( -1.286 0.918 2.501) 2.959 7.340 ( -13.463 1.656 5.927) 14.803 7.831 ( 1.773 -0.955 -13.302) 13.453 9.521 ( 1.253 3.799 4.083) 5.716 9.934 ( 11.922 -3.279 28.131) 30.729 11.240 ( -4.465 -1.828 4.472) 6.579 11.500 ( -3.146 -0.506 -3.798) 4.957 14.217 ( -8.336 4.991 5.113) 10.979 14.669 ( -5.362 16.363 3.613) 17.594 15.461 ( -9.799 4.839 -3.717) 11.544 16.867 ( 2.920 -3.955 -1.367) 5.102 ======================= Grid point 395 (194/282) ======================= q-point: (-0.20 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -14.423 -0.000 10.011) 17.556 1.034 ( -16.731 -0.000 4.321) 17.280 1.557 ( -3.048 -0.000 9.279) 9.767 1.985 ( 1.404 0.000 -0.685) 1.562 3.060 ( -8.847 -0.000 5.673) 10.509 3.189 ( 9.268 0.000 -9.778) 13.472 3.522 ( -0.324 -0.000 -2.165) 2.189 4.010 ( -5.154 -0.000 -6.347) 8.176 4.074 ( 6.761 0.000 4.680) 8.222 4.557 ( 4.144 0.000 8.555) 9.506 4.606 ( -6.894 -0.000 -6.793) 9.678 4.886 ( -4.919 -0.000 0.104) 4.920 5.340 ( 0.627 0.000 0.178) 0.651 5.825 ( -0.747 -0.000 2.601) 2.706 7.362 ( -14.308 -0.000 4.514) 15.004 7.820 ( 0.385 0.000 -12.912) 12.917 9.579 ( -0.424 -0.000 -5.847) 5.863 9.880 ( 18.588 0.000 36.271) 40.757 11.215 ( -4.747 -0.000 5.305) 7.119 11.494 ( -2.275 -0.000 -2.943) 3.719 14.301 ( -11.994 -0.000 5.851) 13.345 14.834 ( -0.088 -0.000 0.623) 0.629 15.635 ( -5.783 -0.000 -11.586) 12.950 16.780 ( -0.758 -0.000 2.623) 2.731 ======================= Grid point 396 (195/282) ======================= q-point: (-0.10 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -12.536 -1.795 11.058) 16.812 0.949 ( -10.775 -2.421 14.402) 18.149 1.606 ( -2.880 0.531 10.700) 11.093 1.975 ( -0.396 0.539 -2.432) 2.522 3.005 ( -6.183 -1.016 3.712) 7.283 3.220 ( 6.979 0.459 -7.972) 10.605 3.525 ( -0.048 -4.701 -2.717) 5.430 3.876 ( -6.467 0.600 -6.145) 8.941 4.203 ( 7.865 1.353 5.050) 9.444 4.435 ( -7.636 2.170 -5.669) 9.754 4.644 ( -2.515 -1.395 4.235) 5.119 4.865 ( 0.048 -0.932 1.890) 2.108 5.351 ( -0.067 -0.543 0.799) 0.968 5.826 ( -1.953 0.731 2.235) 3.057 7.239 ( -12.730 -0.012 7.564) 14.808 7.730 ( 3.294 -1.048 -13.417) 13.855 9.517 ( -2.343 -0.154 -3.407) 4.138 10.444 ( 25.806 1.971 20.590) 33.072 11.221 ( -3.220 -0.661 6.121) 6.948 11.477 ( 4.328 1.022 1.727) 4.770 14.187 ( -10.571 1.859 5.621) 12.116 14.784 ( -1.577 7.124 -2.374) 7.673 15.408 ( -6.055 10.566 -5.855) 13.512 16.699 ( -12.294 -6.904 -11.958) 18.488 ======================= Grid point 406 (196/282) ======================= q-point: (-0.10 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -9.333 -0.000 13.920) 16.759 0.992 ( -3.713 -0.000 19.082) 19.440 1.677 ( -1.693 -0.000 10.732) 10.865 1.933 ( -2.109 -0.000 -3.863) 4.401 2.949 ( -5.069 -0.000 2.912) 5.846 3.263 ( 8.799 0.000 -9.539) 12.977 3.456 ( -2.235 -0.000 -1.142) 2.510 3.741 ( -5.406 -0.000 -7.188) 8.994 4.244 ( -4.129 -0.000 -6.086) 7.355 4.408 ( 3.981 0.000 6.829) 7.905 4.602 ( -5.748 -0.000 2.100) 6.120 4.919 ( 2.304 0.000 5.048) 5.549 5.357 ( -0.271 -0.000 1.749) 1.770 5.817 ( -3.039 -0.000 1.936) 3.604 7.157 ( -11.670 -0.000 9.361) 14.961 7.664 ( 6.191 0.000 -13.285) 14.656 9.444 ( -3.872 -0.000 -2.480) 4.598 10.756 ( 12.265 0.000 -11.962) 17.132 11.252 ( -2.164 -0.000 9.309) 9.557 11.792 ( 30.556 0.000 15.950) 34.468 14.104 ( -10.879 -0.000 5.223) 12.068 14.767 ( -1.402 -0.000 -7.052) 7.190 15.440 ( 4.896 0.000 -8.031) 9.405 16.134 ( -42.813 -0.000 -18.394) 46.597 ======================= Grid point 407 (197/282) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -0.504 -0.000 12.434) 12.444 1.471 ( 2.218 0.000 2.131) 3.076 1.738 ( 0.534 0.000 -4.424) 4.456 1.745 ( 0.062 0.000 -2.038) 2.039 2.940 ( -1.295 -0.000 2.826) 3.109 3.060 ( -1.761 -0.000 -4.581) 4.908 3.303 ( -5.609 -0.000 -2.110) 5.992 3.441 ( 8.348 0.000 -8.418) 11.856 4.316 ( -0.205 -0.000 10.513) 10.515 4.548 ( -1.087 -0.000 -0.323) 1.135 4.783 ( 5.525 0.000 5.841) 8.040 4.993 ( -4.744 -0.000 -2.429) 5.330 5.482 ( -3.406 -0.000 6.359) 7.214 5.752 ( 2.071 0.000 -3.809) 4.336 7.258 ( -8.950 -0.000 8.571) 12.392 7.513 ( 9.150 0.000 -6.003) 10.943 9.465 ( -2.906 -0.000 9.833) 10.254 10.053 ( -2.770 -0.000 -17.589) 17.806 11.791 ( -2.691 -0.000 20.677) 20.851 12.704 ( 19.923 0.000 -18.484) 27.177 13.980 ( -21.552 -0.000 -0.842) 21.568 13.988 ( -4.590 -0.000 0.712) 4.645 14.973 ( -23.655 -0.000 8.503) 25.136 15.423 ( 20.539 0.000 -10.607) 23.116 ======================= Grid point 408 (198/282) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -0.654 -1.893 9.669) 9.875 1.504 ( 2.275 -1.874 -4.483) 5.365 1.674 ( -3.331 2.631 -0.531) 4.278 1.747 ( 1.973 -0.501 -1.725) 2.668 2.993 ( 2.009 1.161 1.537) 2.783 3.013 ( 2.149 -1.350 0.647) 2.619 3.252 ( -4.079 -5.191 -3.301) 7.382 3.498 ( 9.953 -0.547 -6.301) 11.792 4.378 ( -0.643 3.112 8.921) 9.470 4.520 ( -0.208 2.072 -1.828) 2.771 4.878 ( -5.372 0.133 -2.506) 5.929 4.916 ( 2.879 -1.664 3.673) 4.954 5.490 ( -3.411 0.444 6.033) 6.945 5.748 ( 2.580 0.135 -3.564) 4.402 7.243 ( -7.809 -3.161 8.055) 11.656 7.594 ( 9.928 -1.519 -6.594) 12.015 9.551 ( 0.278 -0.567 12.320) 12.336 9.861 ( -4.728 1.634 -12.473) 13.439 11.880 ( -8.139 3.153 18.271) 20.249 12.536 ( -3.699 8.347 -23.009) 24.754 13.874 ( -7.818 -3.119 11.651) 14.374 14.010 ( 1.115 -4.463 3.154) 5.577 14.880 ( -9.279 -7.288 6.971) 13.704 15.661 ( 22.623 -6.059 -9.039) 25.104 ======================= Grid point 409 (199/282) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -3.949 -0.535 4.667) 6.137 1.491 ( 0.089 -3.130 -7.265) 7.911 1.624 ( -1.738 2.012 4.506) 5.232 1.764 ( 2.262 0.034 -1.672) 2.814 2.979 ( 0.744 2.135 0.538) 2.324 3.148 ( 7.285 -3.216 1.949) 8.198 3.274 ( -0.656 -7.184 -1.349) 7.339 3.597 ( 9.728 -1.371 -2.670) 10.181 4.382 ( -1.268 5.253 6.541) 8.484 4.463 ( 1.430 3.632 -3.325) 5.127 4.747 ( -8.321 -1.660 -5.860) 10.312 5.022 ( 3.036 -1.453 3.586) 4.918 5.493 ( -2.834 1.072 5.877) 6.612 5.751 ( 2.940 -0.202 -3.852) 4.850 7.278 ( -6.533 -5.808 7.333) 11.410 7.675 ( 8.554 -1.948 -7.247) 11.379 9.645 ( -3.184 2.342 -1.038) 4.086 9.729 ( -0.347 0.299 9.501) 9.513 11.822 ( -11.979 5.046 10.440) 16.672 12.168 ( -8.755 6.774 -15.596) 19.125 13.954 ( -3.039 -3.028 10.816) 11.636 14.131 ( -0.987 -4.691 6.734) 8.266 15.024 ( 1.607 -13.156 5.351) 14.293 15.971 ( 22.178 -6.802 -5.027) 23.736 ======================= Grid point 410 (200/282) ======================= q-point: ( 0.30 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -4.952 2.375 0.922) 5.569 1.484 ( -1.242 -3.463 -3.357) 4.980 1.632 ( -2.086 1.125 5.364) 5.864 1.776 ( 1.971 -0.313 -1.836) 2.712 2.956 ( -0.676 1.489 -0.826) 1.832 3.272 ( 5.900 -3.873 -2.724) 7.566 3.410 ( 6.002 -5.562 4.404) 9.292 3.730 ( 7.639 -1.778 2.349) 8.188 4.332 ( -1.365 5.384 2.727) 6.187 4.414 ( 0.370 3.953 -1.526) 4.253 4.622 ( -5.497 -2.785 -6.996) 9.323 5.083 ( 1.193 -1.114 0.246) 1.651 5.493 ( -2.289 1.796 5.538) 6.256 5.756 ( 2.706 -0.503 -4.541) 5.310 7.342 ( -5.762 -6.588 6.643) 10.988 7.729 ( 6.118 -1.997 -7.635) 9.986 9.525 ( -5.060 2.900 0.704) 5.875 9.885 ( 2.910 0.715 16.233) 16.508 11.662 ( -11.093 4.432 2.189) 12.144 11.886 ( -7.186 3.432 -11.441) 13.940 14.042 ( -2.443 -2.393 8.708) 9.356 14.201 ( -6.290 -3.591 8.591) 11.236 15.280 ( 4.986 -12.157 2.867) 13.449 16.301 ( 19.414 -5.702 0.852) 20.252 ======================= Grid point 411 (201/282) ======================= q-point: (-0.60 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -3.621 3.009 2.334) 5.255 1.468 ( -4.049 -0.933 0.436) 4.178 1.629 ( -2.591 1.269 4.786) 5.588 1.796 ( 2.209 -1.775 -2.679) 3.899 2.917 ( -0.487 0.743 -2.477) 2.631 3.358 ( 4.440 -2.994 -2.994) 6.135 3.613 ( 9.053 -3.832 5.575) 11.302 3.847 ( 1.919 0.233 5.841) 6.152 4.281 ( -6.572 0.142 1.945) 6.855 4.317 ( 0.713 5.747 -3.219) 6.626 4.582 ( 2.305 -2.563 -5.490) 6.482 5.084 ( -0.685 -0.320 -2.806) 2.906 5.484 ( -2.448 2.253 5.069) 6.064 5.752 ( 2.227 -0.764 -5.169) 5.680 7.405 ( -5.481 -5.358 6.367) 9.965 7.744 ( 3.508 -1.483 -8.070) 8.924 9.480 ( -2.189 1.495 6.099) 6.650 10.051 ( 2.459 1.902 17.174) 17.453 11.490 ( -7.775 2.700 -2.574) 8.623 11.677 ( -6.080 1.490 -10.151) 11.926 14.103 ( -2.096 -2.048 5.667) 6.380 14.233 ( -8.453 -4.469 9.675) 13.603 15.465 ( 2.716 -6.443 0.432) 7.006 16.607 ( 14.633 -4.001 3.803) 15.639 ======================= Grid point 412 (202/282) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -4.072 3.124 4.773) 7.009 1.410 ( -7.259 2.309 5.516) 9.405 1.630 ( -0.462 0.664 2.910) 3.020 1.829 ( 2.599 -2.737 -3.254) 4.984 2.892 ( 1.197 -0.334 -3.061) 3.303 3.401 ( 1.794 -1.540 -3.149) 3.938 3.819 ( 9.160 4.668 6.358) 12.088 3.863 ( -4.705 -3.138 6.794) 8.840 4.133 ( -7.696 2.334 -3.715) 8.859 4.318 ( 1.897 -0.893 -1.099) 2.367 4.622 ( 4.322 -1.603 -2.302) 5.153 5.025 ( -2.426 1.080 -4.286) 5.042 5.466 ( -2.974 1.979 4.996) 6.142 5.746 ( 2.116 -1.327 -5.239) 5.804 7.445 ( -5.464 -2.846 6.747) 9.136 7.713 ( 1.555 -0.069 -8.161) 8.308 9.522 ( 0.374 0.323 6.755) 6.773 10.209 ( 2.985 1.852 16.880) 17.241 11.360 ( -4.269 1.164 -3.532) 5.662 11.511 ( -5.210 0.397 -7.807) 9.394 14.146 ( -1.492 -2.505 2.978) 4.168 14.281 ( -7.835 -6.651 9.121) 13.741 15.523 ( -0.248 -0.505 -0.240) 0.612 16.814 ( 7.983 -1.396 1.045) 8.171 ======================= Grid point 413 (203/282) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -5.717 3.054 7.307) 9.768 1.341 ( -7.122 3.703 9.603) 12.516 1.649 ( 1.435 0.403 1.348) 2.009 1.865 ( 2.003 -2.560 -3.693) 4.920 2.906 ( 2.986 -1.625 -2.793) 4.400 3.383 ( -1.838 0.669 -2.474) 3.154 3.722 ( -9.240 5.320 3.079) 11.098 3.972 ( -0.929 5.035 -1.343) 5.293 4.084 ( 6.459 -3.444 7.244) 10.298 4.316 ( -2.019 -2.420 -4.945) 5.864 4.663 ( 1.031 -1.307 -2.609) 3.095 4.951 ( -1.053 1.855 -0.541) 2.201 5.451 ( -3.397 1.267 5.563) 6.640 5.749 ( 2.182 -1.938 -5.010) 5.798 7.454 ( -6.080 -0.061 7.764) 9.862 7.649 ( 1.370 1.703 -7.751) 8.053 9.562 ( -0.835 0.679 2.778) 2.979 10.388 ( 6.751 -0.182 10.771) 12.713 11.289 ( -2.451 -0.434 -1.263) 2.791 11.426 ( -1.180 -0.676 -0.380) 1.412 14.181 ( -1.790 -3.132 1.302) 3.835 14.360 ( -5.971 -8.539 6.480) 12.271 15.477 ( -2.586 4.263 -0.134) 4.988 16.841 ( -0.562 2.316 -5.702) 6.180 ======================= Grid point 414 (204/282) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -6.487 2.899 9.906) 12.191 1.319 ( -3.863 3.465 11.780) 12.872 1.678 ( 2.762 0.041 -0.369) 2.786 1.870 ( 0.049 -1.491 -4.111) 4.373 2.956 ( 3.613 -2.716 -2.045) 4.961 3.291 ( -5.735 3.843 -0.474) 6.920 3.568 ( -7.344 1.551 -2.362) 7.869 3.854 ( -3.399 7.453 -0.237) 8.195 4.241 ( -2.471 0.319 -4.651) 5.276 4.300 ( 6.241 -4.414 7.146) 10.464 4.631 ( -2.057 -1.487 -4.915) 5.532 4.961 ( 1.465 0.868 4.585) 4.891 5.447 ( -3.498 0.690 6.414) 7.338 5.759 ( 2.060 -2.101 -4.873) 5.693 7.426 ( -7.514 1.965 8.319) 11.381 7.577 ( 2.668 3.297 -6.846) 8.053 9.534 ( -3.514 0.952 0.743) 3.716 10.503 ( 5.345 -0.641 -7.652) 9.356 11.322 ( 0.181 -2.158 8.081) 8.366 11.532 ( 10.147 -3.940 8.086) 13.560 14.194 ( -3.518 -2.685 0.453) 4.449 14.441 ( -5.216 -8.916 1.798) 10.485 15.359 ( -3.772 6.968 -0.181) 7.926 16.621 ( -11.368 7.746 -13.056) 18.966 ======================= Grid point 415 (205/282) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -5.172 2.681 12.532) 13.820 1.356 ( -0.598 2.614 10.931) 11.255 1.711 ( 3.866 -0.621 -2.627) 4.716 1.833 ( -1.680 -0.357 -3.985) 4.339 3.011 ( 0.221 -2.672 -0.767) 2.789 3.158 ( -4.650 4.111 -0.425) 6.221 3.462 ( -3.011 -0.589 -5.619) 6.402 3.681 ( -5.857 8.055 -3.147) 10.445 4.183 ( -3.294 -1.108 1.619) 3.834 4.494 ( 7.126 -1.903 6.820) 10.046 4.589 ( -1.486 -1.537 -3.244) 3.885 5.015 ( 0.800 -0.112 4.065) 4.145 5.455 ( -3.502 0.379 6.821) 7.677 5.765 ( 1.776 -1.604 -4.795) 5.359 7.369 ( -8.090 2.391 8.263) 11.809 7.515 ( 3.792 4.049 -5.844) 8.057 9.481 ( -4.928 0.663 2.669) 5.643 10.417 ( 0.457 -0.359 -18.381) 18.391 11.450 ( 0.441 -1.974 13.397) 13.549 11.923 ( 24.881 -7.879 7.620) 27.189 14.159 ( -6.125 -0.991 0.224) 6.209 14.453 ( -7.626 -6.863 -4.941) 11.387 15.233 ( -2.635 4.662 -0.264) 5.362 16.130 ( -21.796 14.835 -15.547) 30.608 ======================= Grid point 416 (206/282) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -2.503 1.887 13.717) 14.071 1.416 ( 1.009 1.545 7.520) 7.743 1.742 ( 3.824 -0.918 -4.349) 5.863 1.778 ( -1.626 0.003 -3.417) 3.784 2.978 ( -5.489 1.288 1.799) 5.918 3.102 ( -0.333 -1.337 -3.827) 4.067 3.401 ( -0.610 0.516 -4.732) 4.799 3.481 ( -2.834 4.969 -6.684) 8.798 4.221 ( -1.018 -1.537 8.535) 8.732 4.563 ( -1.730 -1.120 -0.668) 2.166 4.656 ( 6.586 -0.389 5.408) 8.531 5.039 ( -1.573 -0.224 1.118) 1.942 5.467 ( -3.417 0.074 6.703) 7.524 5.760 ( 1.718 -0.702 -4.422) 4.796 7.310 ( -8.820 1.786 8.779) 12.572 7.482 ( 6.334 2.617 -5.922) 9.057 9.449 ( -4.895 0.488 6.348) 8.032 10.242 ( -1.424 -0.633 -19.891) 19.952 11.618 ( 0.139 -1.783 17.856) 17.946 12.407 ( 29.701 -6.832 -3.091) 30.633 14.072 ( -7.546 0.530 0.277) 7.570 14.299 ( -15.323 -2.189 -10.689) 18.810 15.185 ( -9.209 -4.201 2.428) 10.409 15.520 ( -12.557 19.142 -11.114) 25.448 ======================= Grid point 418 (207/282) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -1.555 -0.000 6.772) 6.948 1.447 ( 0.788 0.000 -8.921) 8.955 1.664 ( -2.985 -0.000 2.759) 4.065 1.758 ( 2.428 0.000 -1.182) 2.701 3.038 ( 4.429 0.000 -0.455) 4.452 3.094 ( 3.983 0.000 -0.350) 3.999 3.155 ( -0.910 -0.000 4.009) 4.111 3.579 ( 10.724 0.000 -4.459) 11.614 4.457 ( -0.946 -0.000 6.891) 6.955 4.516 ( 0.869 0.000 -3.430) 3.538 4.721 ( -9.147 -0.000 -6.725) 11.353 5.001 ( 2.950 0.000 4.640) 5.498 5.506 ( -2.819 -0.000 6.055) 6.679 5.747 ( 2.470 0.000 -4.093) 4.780 7.201 ( -6.437 -0.000 7.981) 10.253 7.651 ( 10.086 0.000 -8.062) 12.912 9.690 ( 2.648 0.000 14.994) 15.226 9.717 ( -6.789 -0.000 -5.571) 8.782 11.892 ( -14.120 -0.000 11.812) 18.409 12.261 ( -12.614 -0.000 -20.092) 23.723 13.922 ( -2.181 -0.000 12.312) 12.503 14.082 ( 6.359 0.000 7.737) 10.015 14.833 ( 2.043 0.000 4.024) 4.513 15.877 ( 25.010 0.000 -4.378) 25.391 ======================= Grid point 419 (208/282) ======================= q-point: ( 0.20 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -2.451 1.819 2.419) 3.895 1.401 ( 0.561 -2.604 -5.104) 5.757 1.654 ( -2.812 0.664 4.635) 5.462 1.776 ( 2.494 0.015 -2.629) 3.624 3.014 ( -1.199 3.022 -2.167) 3.908 3.155 ( 4.791 -4.901 -1.004) 6.927 3.306 ( 6.885 -1.996 8.644) 11.229 3.698 ( 10.898 -0.738 -0.956) 10.965 4.457 ( -1.245 4.067 -1.546) 4.525 4.493 ( 0.649 1.763 -0.982) 2.120 4.558 ( -7.881 -2.424 -4.622) 9.453 5.058 ( 1.110 -0.629 1.273) 1.802 5.524 ( -2.337 0.605 5.927) 6.400 5.740 ( 2.043 -0.514 -4.802) 5.244 7.221 ( -4.499 -2.625 8.313) 9.810 7.699 ( 8.424 -0.514 -9.064) 12.385 9.591 ( -7.799 1.848 2.050) 8.273 9.876 ( 3.616 -0.744 15.829) 16.254 11.747 ( -15.433 1.947 3.099) 15.861 11.944 ( -10.222 1.060 -15.439) 18.547 13.996 ( -4.390 -1.101 12.274) 13.082 14.232 ( 6.008 3.594 9.795) 12.040 14.998 ( 9.780 -8.093 2.243) 12.891 16.194 ( 23.751 -2.347 0.402) 23.870 ======================= Grid point 420 (209/282) ======================= q-point: ( 0.30 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -0.777 3.393 1.038) 3.633 1.421 ( 0.389 -2.510 -0.677) 2.629 1.651 ( -3.632 0.583 5.378) 6.515 1.774 ( 1.703 -0.127 -3.606) 3.990 2.945 ( -1.604 1.392 -2.696) 3.432 3.272 ( 5.146 -3.678 -0.554) 6.349 3.500 ( 6.079 -3.597 8.385) 10.964 3.851 ( 9.755 -0.310 3.068) 10.231 4.304 ( -9.706 1.043 -5.887) 11.399 4.440 ( 1.837 3.652 -3.627) 5.465 4.545 ( 1.669 -0.354 0.910) 1.934 5.068 ( -0.101 -0.749 -2.368) 2.486 5.529 ( -2.884 1.222 5.172) 6.047 5.726 ( 1.155 -1.105 -5.310) 5.546 7.290 ( -2.898 -3.392 8.906) 9.961 7.719 ( 6.334 -0.551 -9.194) 11.179 9.522 ( -6.141 1.543 7.983) 10.189 10.066 ( 2.828 -0.289 15.455) 15.714 11.543 ( -11.917 1.421 -2.990) 12.368 11.699 ( -7.627 0.243 -12.930) 15.014 14.052 ( -6.345 -1.185 12.563) 14.124 14.307 ( 4.511 7.528 8.875) 12.481 15.261 ( 9.920 -8.983 0.923) 13.415 16.524 ( 19.171 -2.368 3.751) 19.678 ======================= Grid point 421 (210/282) ======================= q-point: ( 0.40 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( -0.070 4.506 2.331) 5.073 1.445 ( -1.012 0.194 2.937) 3.112 1.642 ( -2.919 0.461 4.312) 5.227 1.772 ( 1.541 -1.610 -3.425) 4.086 2.895 ( -0.250 0.464 -2.888) 2.935 3.353 ( 3.037 -2.066 -1.544) 3.984 3.697 ( 3.152 -5.749 8.610) 10.822 3.982 ( 7.592 3.982 4.209) 9.550 4.116 ( -11.341 -1.615 -4.522) 12.316 4.391 ( 3.728 4.405 -4.196) 7.135 4.595 ( 3.547 -0.339 0.971) 3.693 5.034 ( -0.980 -0.219 -4.688) 4.794 5.510 ( -4.072 1.407 4.654) 6.342 5.706 ( 0.522 -1.725 -5.407) 5.700 7.378 ( -2.176 -2.275 9.603) 10.106 7.714 ( 4.831 0.100 -8.529) 9.802 9.536 ( -2.553 0.537 9.787) 10.129 10.222 ( 1.011 -0.394 13.418) 13.462 11.376 ( -6.963 0.123 -4.507) 8.295 11.508 ( -6.504 -0.592 -10.088) 12.018 14.088 ( -6.346 -0.648 11.597) 13.236 14.334 ( 3.809 8.026 8.323) 12.174 15.459 ( 6.601 -4.589 -0.096) 8.040 16.782 ( 12.501 -0.967 2.629) 12.811 ======================= Grid point 422 (211/282) ======================= q-point: (-0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -1.324 5.141 3.535) 6.378 1.436 ( -3.520 3.464 7.525) 9.001 1.651 ( 0.208 -0.255 1.789) 1.819 1.794 ( 1.585 -2.798 -2.822) 4.278 2.880 ( 1.741 -0.503 -2.695) 3.248 3.375 ( 0.478 -0.816 -2.665) 2.828 3.794 ( -9.447 -0.762 3.040) 9.953 3.970 ( -1.951 -4.291 0.719) 4.768 4.097 ( 6.887 4.774 4.960) 9.738 4.344 ( 2.375 3.963 -3.727) 5.936 4.635 ( 1.343 -0.610 -2.183) 2.634 4.984 ( -0.224 0.653 -2.486) 2.581 5.479 ( -4.863 0.933 4.995) 7.033 5.692 ( 0.636 -2.450 -5.094) 5.688 7.452 ( -2.690 -0.065 10.392) 10.735 7.692 ( 4.508 1.598 -7.249) 8.684 9.583 ( -0.623 0.787 4.965) 5.066 10.349 ( 0.948 -2.592 8.827) 9.248 11.278 ( -3.800 -0.402 -3.215) 4.994 11.391 ( -4.484 -1.958 -1.937) 5.262 14.115 ( -4.536 -0.472 8.970) 10.063 14.360 ( 3.064 6.543 8.663) 11.281 15.545 ( 3.222 0.673 -0.058) 3.292 16.892 ( 5.004 1.797 -2.893) 6.053 ======================= Grid point 423 (212/282) ======================= q-point: (-0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -2.547 4.763 5.504) 7.712 1.421 ( -2.568 4.418 10.084) 11.305 1.677 ( 1.803 -0.177 0.172) 1.819 1.818 ( 0.127 -2.552 -2.714) 3.727 2.904 ( 3.185 -1.437 -1.996) 4.024 3.342 ( -1.633 0.454 -3.451) 3.845 3.627 ( -10.604 2.670 -1.859) 11.092 4.016 ( -2.762 0.044 4.273) 5.088 4.148 ( -0.252 0.668 -2.543) 2.642 4.332 ( 7.169 3.661 4.756) 9.349 4.596 ( -1.352 -1.031 -7.138) 7.338 4.986 ( 1.117 0.882 2.965) 3.289 5.458 ( -4.777 0.141 5.957) 7.637 5.694 ( 1.130 -2.908 -4.749) 5.682 7.484 ( -4.668 2.486 10.474) 11.734 7.667 ( 5.444 3.503 -5.584) 8.549 9.566 ( -1.817 1.533 -1.287) 2.703 10.444 ( 1.613 -4.194 -4.335) 6.244 11.262 ( -1.414 -2.225 6.344) 6.870 11.424 ( 0.469 -4.215 6.614) 7.857 14.140 ( -2.665 -0.230 5.689) 6.287 14.396 ( 1.008 4.634 8.781) 9.980 15.529 ( 0.304 5.513 0.700) 5.565 16.800 ( -2.657 6.254 -10.290) 12.331 ======================= Grid point 424 (213/282) ======================= q-point: (-0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -2.349 3.939 8.899) 10.012 1.442 ( 0.430 3.993 9.435) 10.254 1.700 ( 2.398 -0.170 -1.604) 2.890 1.808 ( -2.314 -1.671 -2.294) 3.662 2.950 ( 2.049 -1.892 -1.079) 2.990 3.261 ( -3.344 2.757 -2.960) 5.248 3.471 ( -4.493 1.857 -3.674) 6.094 3.916 ( -3.920 9.929 -3.448) 11.218 4.103 ( -6.426 -5.330 1.863) 8.554 4.483 ( 8.114 1.324 8.453) 11.792 4.539 ( 0.550 -1.909 -6.694) 6.983 5.020 ( 0.147 0.522 3.968) 4.005 5.457 ( -4.477 -0.325 6.649) 8.022 5.708 ( 1.645 -2.787 -4.475) 5.523 7.457 ( -5.896 4.381 9.293) 11.845 7.640 ( 5.431 5.389 -4.037) 8.651 9.502 ( -2.609 0.948 -1.698) 3.254 10.385 ( -1.581 -2.542 -17.128) 17.387 11.387 ( -0.494 -2.800 13.539) 13.834 11.662 ( 10.487 -11.209 10.221) 18.441 14.145 ( -2.459 0.895 3.235) 4.160 14.403 ( -3.594 3.688 7.015) 8.702 15.434 ( -2.371 9.168 2.401) 9.769 16.486 ( -8.673 12.619 -16.501) 22.511 ======================= Grid point 425 (214/282) ======================= q-point: (-0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -1.144 3.432 12.299) 12.820 1.484 ( 2.056 3.527 6.413) 7.602 1.717 ( 3.272 -0.715 -3.851) 5.103 1.766 ( -3.880 -1.078 -1.903) 4.455 2.971 ( -1.393 -1.598 -0.213) 2.131 3.145 ( -3.858 4.230 -1.709) 5.975 3.411 ( 3.857 0.771 -5.758) 6.974 3.677 ( -5.993 9.103 -6.344) 12.610 4.145 ( -3.268 -4.295 7.455) 9.204 4.508 ( -1.085 -3.018 -3.608) 4.827 4.658 ( 8.246 1.011 6.957) 10.836 5.035 ( -1.683 0.097 1.897) 2.538 5.465 ( -4.290 -0.453 6.617) 7.899 5.725 ( 2.124 -2.043 -4.118) 5.064 7.398 ( -6.357 5.053 8.851) 12.012 7.597 ( 5.404 6.036 -4.383) 9.212 9.464 ( -2.301 0.436 2.560) 3.469 10.210 ( -3.492 -1.987 -19.609) 20.017 11.545 ( -1.218 -3.426 16.397) 16.795 12.090 ( 16.936 -16.458 2.283) 23.726 14.105 ( -4.332 2.794 2.617) 5.781 14.311 ( -10.002 4.681 2.952) 11.431 15.292 ( -6.849 9.962 6.315) 13.639 16.016 ( -5.952 18.642 -18.846) 27.168 ======================= Grid point 426 (215/282) ======================= q-point: (-0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -0.370 3.285 12.456) 12.887 1.511 ( 2.150 2.887 2.538) 4.404 1.709 ( -3.951 -1.636 -2.558) 4.983 1.737 ( 3.435 -0.822 -4.076) 5.393 2.965 ( -1.137 -0.338 1.143) 1.647 3.046 ( -2.278 2.388 -1.348) 3.565 3.407 ( 1.800 4.619 -5.328) 7.277 3.469 ( 1.660 3.849 -6.548) 7.775 4.252 ( -1.110 -4.498 9.755) 10.799 4.510 ( -0.777 -3.055 -2.210) 3.850 4.796 ( 6.042 1.134 6.519) 8.961 4.997 ( -4.257 0.340 -1.591) 4.557 5.476 ( -3.861 -0.559 6.284) 7.397 5.740 ( 2.498 -0.983 -3.653) 4.533 7.323 ( -7.578 4.907 8.621) 12.483 7.568 ( 7.664 4.174 -5.496) 10.314 9.479 ( -1.498 0.749 8.018) 8.191 10.023 ( -3.908 -2.309 -17.502) 18.081 11.728 ( -2.973 -4.374 18.967) 19.691 12.468 ( 12.975 -16.523 -12.232) 24.310 14.004 ( -11.241 4.267 5.918) 13.401 14.108 ( -7.860 7.323 0.052) 10.742 15.096 ( -15.711 9.887 9.568) 20.884 15.663 ( 12.809 15.664 -15.618) 25.561 ======================= Grid point 429 (216/282) ======================= q-point: ( 0.20 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -1.456 -0.000 3.639) 3.919 1.360 ( 3.322 0.000 -3.835) 5.074 1.660 ( -4.280 -0.000 6.535) 7.812 1.774 ( 2.477 0.000 -5.402) 5.943 2.970 ( -2.402 -0.000 -4.039) 4.699 3.211 ( 6.054 0.000 2.082) 6.402 3.456 ( 5.050 0.000 9.404) 10.674 3.844 ( 11.747 0.000 2.073) 11.929 4.317 ( -9.351 -0.000 -10.726) 14.230 4.488 ( 2.656 0.000 -4.878) 5.554 4.546 ( -0.043 -0.000 6.020) 6.020 5.057 ( -0.086 -0.000 -1.982) 1.984 5.545 ( -3.115 -0.000 5.325) 6.170 5.709 ( 0.903 0.000 -5.466) 5.540 7.246 ( -1.750 -0.000 9.832) 9.986 7.713 ( 7.250 0.000 -9.748) 12.148 9.544 ( -8.598 -0.000 9.105) 12.524 10.058 ( 3.853 0.000 14.435) 14.940 11.561 ( -14.270 -0.000 -2.713) 14.525 11.699 ( -7.714 -0.000 -14.514) 16.436 14.042 ( -5.241 -0.000 14.003) 14.951 14.448 ( 6.358 0.000 10.812) 12.543 15.110 ( 13.952 0.000 0.003) 13.952 16.493 ( 21.131 0.000 3.753) 21.461 ======================= Grid point 430 (217/282) ======================= q-point: ( 0.30 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 1.639 3.426 2.138) 4.358 1.417 ( 3.502 -2.138 0.459) 4.129 1.659 ( -5.032 0.653 7.366) 8.945 1.747 ( 1.609 -0.478 -6.462) 6.677 2.910 ( -1.027 0.480 -3.428) 3.611 3.305 ( 3.865 -1.357 1.491) 4.360 3.593 ( 1.628 -2.116 9.186) 9.566 4.020 ( 8.335 -0.078 5.565) 10.022 4.106 ( -6.633 0.337 -10.841) 12.714 4.475 ( 4.325 1.784 -5.796) 7.449 4.603 ( 1.032 0.577 5.772) 5.892 5.025 ( -0.363 -0.326 -4.739) 4.764 5.534 ( -4.752 0.474 4.522) 6.577 5.669 ( -0.324 -0.905 -5.480) 5.564 7.337 ( 0.124 -0.839 11.192) 11.225 7.716 ( 6.524 0.047 -8.939) 11.066 9.544 ( -6.272 0.089 12.690) 14.156 10.209 ( 1.930 -0.337 9.895) 10.087 11.374 ( -9.369 -0.154 -3.869) 10.138 11.492 ( -6.353 -0.427 -12.533) 14.058 14.104 ( -4.960 0.931 15.663) 16.456 14.558 ( 4.898 7.022 9.026) 12.440 15.322 ( 12.867 -4.721 -0.511) 13.715 16.768 ( 15.302 -0.236 3.578) 15.716 ======================= Grid point 431 (218/282) ======================= q-point: ( 0.40 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 1.278 5.116 1.891) 5.602 1.489 ( 2.496 0.157 3.202) 4.063 1.649 ( -3.106 0.486 4.908) 5.829 1.731 ( 1.098 -2.104 -4.184) 4.811 2.877 ( 0.936 0.163 -2.822) 2.978 3.355 ( 0.780 -0.632 -0.071) 1.006 3.711 ( -2.714 -3.957 8.622) 9.867 3.903 ( -9.136 -1.455 -6.987) 11.593 4.198 ( 11.911 2.714 3.354) 12.669 4.450 ( 3.900 3.524 -4.072) 6.649 4.641 ( -0.270 0.938 1.906) 2.141 4.986 ( 0.708 -0.310 -3.935) 4.010 5.497 ( -6.014 0.503 4.561) 7.564 5.633 ( -0.723 -2.002 -4.943) 5.382 7.452 ( 0.212 0.024 12.203) 12.205 7.724 ( 6.751 0.876 -7.047) 9.798 9.593 ( -2.771 -0.025 9.770) 10.155 10.285 ( -0.521 -1.971 2.588) 3.295 11.270 ( -4.514 -0.188 -1.292) 4.699 11.340 ( -5.586 -1.777 -5.335) 7.926 14.162 ( -3.837 2.937 15.540) 16.274 14.583 ( 4.228 9.280 7.921) 12.913 15.511 ( 9.158 -2.853 -0.384) 9.600 16.931 ( 8.441 1.197 -0.565) 8.544 ======================= Grid point 432 (219/282) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -0.615 5.646 1.939) 6.001 1.524 ( -0.312 3.209 7.124) 7.820 1.667 ( 0.726 -0.562 1.970) 2.174 1.747 ( 0.822 -2.899 -3.174) 4.377 2.882 ( 3.012 -0.394 -2.145) 3.719 3.342 ( -1.680 -0.046 -2.085) 2.678 3.674 ( -8.936 0.954 -1.412) 9.097 3.873 ( -3.758 -6.628 4.239) 8.719 4.285 ( 6.818 5.248 -5.023) 9.963 4.444 ( 5.282 4.787 6.020) 9.331 4.588 ( -2.618 0.535 -6.110) 6.669 4.998 ( 1.994 0.004 1.430) 2.453 5.458 ( -6.115 -0.024 5.384) 8.147 5.618 ( -0.048 -2.932 -4.250) 5.163 7.543 ( -1.589 2.049 12.605) 12.869 7.744 ( 7.663 2.460 -4.684) 9.312 9.606 ( -1.721 1.430 0.291) 2.257 10.311 ( -0.851 -5.516 -5.325) 7.715 11.220 ( -3.053 -1.030 2.873) 4.317 11.334 ( -2.637 -2.732 7.025) 7.985 14.206 ( -1.851 4.527 13.438) 14.300 14.585 ( 3.161 8.843 7.828) 12.226 15.615 ( 5.535 1.285 0.510) 5.705 16.932 ( 2.060 4.135 -7.037) 8.418 ======================= Grid point 433 (220/282) ======================= q-point: (-0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -1.253 4.450 4.430) 6.403 1.545 ( 0.452 3.844 8.101) 8.978 1.699 ( 1.358 -0.180 0.516) 1.463 1.754 ( -0.874 -2.366 -3.216) 4.088 2.919 ( 3.498 -0.626 -1.203) 3.752 3.287 ( -1.954 0.023 -4.546) 4.948 3.541 ( -5.419 2.844 -0.923) 6.189 3.940 ( -6.283 -6.834 4.485) 10.310 4.156 ( -1.805 8.563 -6.703) 11.023 4.494 ( -1.351 -0.798 -8.231) 8.379 4.563 ( 9.334 3.807 8.466) 13.164 5.036 ( 0.487 0.626 3.521) 3.609 5.441 ( -5.526 -0.801 6.249) 8.380 5.630 ( 1.146 -3.271 -3.766) 5.118 7.574 ( -3.509 4.544 11.332) 12.703 7.769 ( 7.479 4.551 -2.373) 9.071 9.532 ( -2.009 1.517 -5.084) 5.673 10.278 ( -2.127 -5.722 -15.381) 16.548 11.310 ( 0.229 -3.398 13.371) 13.798 11.441 ( -0.367 -5.383 11.017) 12.268 14.236 ( -0.351 5.680 10.772) 12.183 14.571 ( 0.382 8.197 7.312) 10.990 15.632 ( 2.226 5.927 2.456) 6.791 16.755 ( -2.744 8.610 -13.495) 16.241 ======================= Grid point 434 (221/282) ======================= q-point: (-0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -0.643 2.755 8.741) 9.188 1.578 ( 2.008 3.683 5.867) 7.213 1.709 ( -0.769 -0.728 -0.863) 1.367 1.731 ( -0.940 -0.822 -3.035) 3.282 2.947 ( 0.678 -0.062 0.014) 0.681 3.220 ( -0.002 1.037 -6.161) 6.248 3.464 ( 0.386 3.293 0.156) 3.319 3.870 ( -8.266 3.330 -7.523) 11.662 4.051 ( -2.362 -0.375 6.466) 6.894 4.435 ( -0.351 -2.326 -7.236) 7.609 4.711 ( 8.705 2.957 7.871) 12.103 5.047 ( -1.693 0.850 2.525) 3.157 5.442 ( -5.145 -1.226 6.434) 8.329 5.661 ( 2.388 -2.946 -3.423) 5.109 7.548 ( -4.200 6.379 9.962) 12.553 7.763 ( 5.655 6.657 -2.432) 9.067 9.465 ( -0.902 -0.196 -2.409) 2.580 10.137 ( -4.362 -3.848 -19.341) 20.196 11.468 ( -1.927 -2.454 15.286) 15.601 11.693 ( 5.768 -13.180 9.741) 17.374 14.237 ( -1.124 7.130 9.504) 11.935 14.497 ( -4.030 8.846 4.855) 10.866 15.569 ( -1.798 10.442 6.003) 12.178 16.427 ( -3.128 13.670 -18.037) 22.847 ======================= Grid point 435 (222/282) ======================= q-point: (-0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -0.471 2.143 11.702) 11.906 1.592 ( -0.377 2.809 3.682) 4.646 1.673 ( -3.120 -0.931 -3.236) 4.591 1.721 ( 3.172 0.048 -3.632) 4.822 2.945 ( -1.233 -0.033 1.093) 1.648 3.150 ( 1.360 3.662 -4.340) 5.839 3.470 ( 6.264 2.419 -1.292) 6.838 3.638 ( -6.066 6.673 -7.185) 11.531 4.127 ( -1.950 -4.509 8.640) 9.939 4.415 ( -0.042 -3.740 -5.304) 6.490 4.841 ( 6.583 2.380 6.729) 9.710 5.012 ( -3.770 0.885 -0.237) 3.880 5.452 ( -4.618 -1.344 6.122) 7.785 5.701 ( 3.327 -2.072 -3.177) 5.045 7.485 ( -5.140 7.417 8.990) 12.738 7.711 ( 5.097 6.861 -4.172) 9.511 9.480 ( 0.758 -0.987 3.999) 4.188 9.949 ( -5.510 -3.233 -17.645) 18.766 11.610 ( -3.644 -4.280 15.787) 16.758 12.018 ( 5.912 -16.715 0.312) 17.732 14.180 ( -6.979 8.889 10.866) 15.677 14.338 ( -4.285 10.282 0.974) 11.181 15.421 ( -8.148 14.337 9.914) 19.241 16.077 ( 5.780 15.610 -18.591) 24.954 ======================= Grid point 436 (223/282) ======================= q-point: (-0.10 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -2.521 2.578 9.176) 9.859 1.580 ( 0.307 2.764 0.687) 2.865 1.603 ( -3.972 -1.496 -2.731) 5.047 1.742 ( 3.798 -0.621 -3.199) 5.005 2.949 ( -0.503 -0.955 1.285) 1.678 3.109 ( 4.483 4.624 -0.375) 6.451 3.429 ( -3.159 7.551 -5.280) 9.740 3.525 ( 8.179 1.597 -2.809) 8.794 4.255 ( -0.902 -5.789 8.603) 10.409 4.430 ( 0.506 -4.353 -3.857) 5.838 4.893 ( -4.855 1.306 -0.788) 5.089 4.963 ( 3.221 1.911 2.675) 4.603 5.468 ( -3.742 -1.332 5.854) 7.074 5.736 ( 3.529 -0.871 -3.232) 4.864 7.386 ( -6.641 7.635 7.715) 12.724 7.670 ( 6.948 4.506 -5.564) 9.977 9.567 ( 1.763 0.122 9.772) 9.931 9.786 ( -5.605 -3.890 -12.409) 14.161 11.752 ( -6.764 -6.085 15.013) 17.555 12.215 ( -0.586 -14.551 -10.577) 17.998 14.028 ( -10.603 8.657 9.938) 16.916 14.198 ( -0.903 9.607 3.344) 10.213 15.193 ( -8.044 15.906 8.632) 19.805 15.910 ( 16.935 12.019 -12.217) 24.093 ======================= Grid point 440 (224/282) ======================= q-point: ( 0.30 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 1.380 0.000 4.201) 4.422 1.460 ( 6.163 0.000 -1.071) 6.255 1.665 ( -6.286 -0.000 9.130) 11.085 1.698 ( 2.297 0.000 -8.128) 8.446 2.880 ( 0.718 0.000 -2.993) 3.078 3.346 ( 0.903 0.000 1.709) 1.932 3.655 ( -2.045 -0.000 9.143) 9.368 3.885 ( -9.592 -0.000 -7.717) 12.311 4.230 ( 14.094 0.000 0.399) 14.100 4.497 ( 4.107 0.000 -3.339) 5.292 4.659 ( -1.080 -0.000 4.071) 4.212 4.980 ( 1.031 0.000 -4.564) 4.679 5.504 ( -6.378 -0.000 4.445) 7.774 5.605 ( -1.333 -0.000 -4.828) 5.008 7.452 ( 1.335 0.000 12.809) 12.878 7.735 ( 7.593 0.000 -7.006) 10.331 9.590 ( -4.332 -0.000 12.595) 13.319 10.260 ( -0.054 -0.000 -1.182) 1.183 11.269 ( -4.834 -0.000 2.141) 5.287 11.314 ( -5.585 -0.000 -8.978) 10.573 14.207 ( -3.812 -0.000 17.957) 18.357 14.724 ( 2.543 0.000 7.424) 7.848 15.457 ( 12.836 0.000 -0.456) 12.844 16.947 ( 9.570 0.000 0.283) 9.574 ======================= Grid point 441 (225/282) ======================= q-point: ( 0.40 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -0.271 4.892 0.870) 4.976 1.545 ( 4.438 -1.880 0.104) 4.821 1.662 ( -5.075 0.292 8.027) 9.501 1.689 ( 3.813 -1.242 -4.700) 6.178 2.880 ( 3.007 0.097 -2.277) 3.773 3.344 ( -2.689 0.107 0.288) 2.707 3.688 ( -5.933 0.515 3.164) 6.744 3.743 ( -4.557 -3.241 -0.567) 5.621 4.362 ( 11.874 1.158 -9.308) 15.132 4.543 ( 3.997 2.430 7.194) 8.581 4.616 ( -4.826 1.024 -3.585) 6.099 4.991 ( 2.991 -0.281 0.590) 3.062 5.458 ( -6.915 0.033 5.145) 8.619 5.559 ( -0.990 -1.402 -3.685) 4.065 7.581 ( 0.452 0.802 13.875) 13.905 7.786 ( 8.869 0.869 -4.339) 9.911 9.632 ( -2.498 0.532 5.321) 5.902 10.205 ( -0.899 -2.375 -11.200) 11.484 11.205 ( -3.976 -0.265 -0.410) 4.005 11.288 ( -2.483 -0.949 9.399) 9.768 14.309 ( -2.861 2.584 17.901) 18.311 14.773 ( 1.333 4.661 5.956) 7.679 15.614 ( 9.918 -0.647 0.779) 9.970 17.005 ( 3.965 1.491 -5.141) 6.661 ======================= Grid point 442 (226/282) ======================= q-point: ( 0.50 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -1.910 4.649 0.824) 5.093 1.609 ( 2.656 -0.332 1.222) 2.943 1.666 ( -4.535 -1.041 5.261) 7.023 1.727 ( 4.805 0.183 -2.330) 5.343 2.914 ( 4.948 0.143 -1.504) 5.173 3.287 ( -4.052 0.107 -2.150) 4.588 3.597 ( -3.250 1.723 -1.630) 4.023 3.783 ( -5.794 -5.174 6.188) 9.931 4.329 ( 2.776 4.755 -10.490) 11.848 4.483 ( -2.796 -0.061 -9.663) 10.060 4.663 ( 6.400 3.500 10.757) 12.997 5.046 ( 1.805 0.145 3.107) 3.596 5.424 ( -6.453 -0.453 5.970) 8.803 5.553 ( 0.541 -2.517 -2.761) 3.775 7.673 ( -1.558 3.080 13.663) 14.093 7.857 ( 9.042 2.310 -1.596) 9.468 9.581 ( -2.624 2.214 -4.726) 5.841 10.124 ( -0.851 -5.658 -16.309) 17.283 11.232 ( -0.596 -2.289 9.906) 10.184 11.372 ( -2.607 -1.059 13.035) 13.335 14.382 ( -1.518 4.927 15.668) 16.494 14.762 ( 0.069 6.080 5.296) 8.063 15.729 ( 6.589 1.977 2.838) 7.442 16.919 ( -0.399 4.345 -10.934) 11.772 ======================= Grid point 443 (227/282) ======================= q-point: (-0.40 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -2.019 2.595 4.332) 5.438 1.648 ( -0.726 -2.931 -2.929) 4.207 1.661 ( -0.948 2.265 6.193) 6.662 1.751 ( 3.038 1.506 -1.228) 3.606 2.962 ( 4.094 1.014 -0.276) 4.227 3.220 ( -0.924 -0.462 -5.263) 5.364 3.545 ( -0.279 2.736 1.354) 3.066 3.805 ( -7.737 -4.751 2.897) 9.530 4.168 ( -3.114 6.066 -5.321) 8.649 4.395 ( 0.894 -1.033 -10.162) 10.253 4.794 ( 6.861 3.293 8.883) 11.698 5.073 ( -0.870 1.008 2.730) 3.038 5.410 ( -5.819 -1.144 6.298) 8.651 5.585 ( 2.440 -2.867 -2.384) 4.456 7.703 ( -2.858 5.614 12.041) 13.590 7.911 ( 6.855 4.686 -0.515) 8.319 9.470 ( -2.072 0.911 -6.133) 6.538 10.018 ( -2.168 -5.310 -19.481) 20.308 11.403 ( 1.720 -3.827 14.521) 15.115 11.474 ( -2.487 -3.420 12.938) 13.611 14.421 ( -0.976 6.685 13.369) 14.979 14.708 ( -2.283 7.156 3.979) 8.500 15.780 ( 3.241 6.092 6.029) 9.163 16.701 ( -2.444 8.003 -15.566) 17.673 ======================= Grid point 444 (228/282) ======================= q-point: (-0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -1.982 0.080 8.544) 8.771 1.605 ( -5.271 -1.472 -1.529) 5.682 1.694 ( 2.855 2.105 1.472) 3.841 1.748 ( 2.149 1.909 -1.645) 3.312 2.973 ( 0.283 2.095 1.004) 2.340 3.192 ( 4.695 -0.121 -7.573) 8.911 3.544 ( 1.794 2.918 3.719) 5.056 3.734 ( -6.461 0.367 -4.249) 7.742 4.074 ( -2.688 0.798 3.749) 4.682 4.345 ( 1.290 -1.728 -8.115) 8.396 4.908 ( 5.829 2.686 6.788) 9.342 5.043 ( -3.525 1.578 0.803) 3.944 5.412 ( -5.179 -1.620 6.018) 8.103 5.640 ( 3.986 -2.564 -2.418) 5.320 7.676 ( -3.759 7.384 10.176) 13.123 7.893 ( 4.080 7.031 -2.385) 8.472 9.433 ( -0.175 -2.247 -0.004) 2.254 9.865 ( -3.580 -3.482 -18.604) 19.262 11.531 ( -4.267 -1.958 13.290) 14.095 11.682 ( 3.276 -9.772 8.651) 13.456 14.411 ( -4.565 8.694 12.766) 16.105 14.590 ( -3.275 9.008 1.392) 9.685 15.755 ( -1.781 11.267 9.907) 15.109 16.412 ( 0.719 10.629 -17.793) 20.738 ======================= Grid point 445 (229/282) ======================= q-point: (-0.20 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -4.919 -0.806 8.395) 9.763 1.550 ( -4.012 -1.421 0.941) 4.359 1.677 ( -0.099 3.153 -2.245) 3.872 1.748 ( 4.070 1.411 -2.326) 4.895 2.953 ( -0.659 1.174 0.825) 1.579 3.202 ( 7.863 2.253 -5.485) 9.848 3.545 ( -3.700 1.008 -0.845) 3.927 3.624 ( 3.977 6.059 -0.697) 7.281 4.123 ( -1.519 -4.099 6.861) 8.135 4.333 ( 1.716 -2.976 -5.589) 6.560 4.941 ( -5.006 2.429 -0.848) 5.629 5.008 ( 3.444 1.602 3.488) 5.157 5.425 ( -4.197 -1.906 5.616) 7.265 5.702 ( 4.653 -1.801 -2.820) 5.731 7.598 ( -5.268 8.581 7.817) 12.747 7.817 ( 3.444 6.848 -4.338) 8.808 9.520 ( 1.387 -4.200 7.618) 8.809 9.703 ( -4.026 -2.152 -14.067) 14.789 11.613 ( -6.136 -4.422 11.247) 13.554 11.888 ( 1.479 -10.575 0.262) 10.681 14.280 ( -10.892 10.635 8.805) 17.586 14.458 ( -2.067 10.255 4.066) 11.224 15.609 ( -6.991 15.923 9.426) 19.780 16.201 ( 10.064 10.107 -13.399) 19.570 ======================= Grid point 446 (230/282) ======================= q-point: (-0.10 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -7.969 -0.847 2.431) 8.375 1.571 ( -0.191 0.661 1.567) 1.712 1.596 ( -2.574 1.359 0.077) 2.912 1.765 ( 3.457 0.716 -2.110) 4.113 2.949 ( -0.138 -0.355 0.365) 0.528 3.239 ( 8.876 3.498 -2.401) 9.838 3.443 ( -0.895 4.800 -2.256) 5.379 3.654 ( 6.465 3.634 2.430) 7.804 4.232 ( -0.938 -5.916 5.828) 8.357 4.363 ( 2.180 -3.809 -3.173) 5.415 4.798 ( -7.207 2.513 -5.017) 9.133 5.061 ( 2.803 1.428 2.446) 3.985 5.453 ( -3.034 -2.011 5.507) 6.601 5.747 ( 4.100 -0.663 -3.587) 5.488 7.468 ( -6.623 8.667 5.933) 12.417 7.754 ( 4.936 4.383 -5.537) 8.616 9.577 ( -5.135 -3.326 -6.953) 9.262 9.693 ( 3.240 -2.243 13.151) 13.729 11.674 ( -8.482 -5.947 7.761) 12.944 11.967 ( -3.108 -8.093 -7.389) 11.391 14.095 ( -7.202 8.076 6.485) 12.615 14.323 ( -7.186 9.954 7.611) 14.444 15.401 ( -2.451 15.346 5.344) 16.434 16.176 ( 16.316 8.538 -4.914) 19.060 ======================= Grid point 451 (231/282) ======================= q-point: ( 0.40 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -3.563 -0.000 -0.778) 3.647 1.558 ( 3.424 0.000 -3.642) 4.999 1.673 ( -4.160 -0.000 8.290) 9.275 1.732 ( 5.902 0.000 -0.970) 5.982 2.918 ( 5.511 0.000 -1.692) 5.765 3.289 ( -5.279 -0.000 -0.738) 5.331 3.629 ( -1.000 -0.000 -4.311) 4.425 3.705 ( -6.610 -0.000 9.066) 11.220 4.387 ( 8.124 0.000 -13.616) 15.856 4.486 ( -7.137 -0.000 -8.227) 10.892 4.712 ( 5.345 0.000 11.114) 12.332 5.047 ( 2.531 0.000 3.018) 3.939 5.418 ( -6.844 -0.000 5.929) 9.056 5.518 ( 0.291 0.000 -2.233) 2.252 7.715 ( -0.735 -0.000 15.106) 15.124 7.886 ( 9.561 0.000 -1.850) 9.738 9.618 ( -3.090 -0.000 -2.361) 3.889 10.041 ( 0.161 0.000 -18.998) 18.998 11.203 ( -1.195 -0.000 8.526) 8.610 11.361 ( -2.496 -0.000 13.777) 14.001 14.449 ( -2.810 -0.000 17.649) 17.872 14.844 ( -0.835 -0.000 3.843) 3.933 15.750 ( 8.534 0.000 3.264) 9.137 16.974 ( 0.143 0.000 -10.015) 10.016 ======================= Grid point 452 (232/282) ======================= q-point: ( 0.50 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -3.655 2.157 0.862) 4.331 1.567 ( 0.087 -2.583 -3.735) 4.542 1.701 ( -0.676 0.721 5.892) 5.975 1.787 ( 3.863 0.954 -0.318) 3.991 2.986 ( 7.244 0.633 -1.083) 7.352 3.211 ( -4.330 -0.169 -2.376) 4.942 3.601 ( 1.412 1.754 -0.192) 2.260 3.702 ( -7.693 -2.926 6.297) 10.363 4.290 ( -4.984 3.288 -8.629) 10.494 4.368 ( 3.201 -1.216 -11.952) 12.433 4.859 ( 4.671 1.528 9.757) 10.925 5.091 ( 0.181 0.356 2.702) 2.731 5.391 ( -6.063 -0.322 6.246) 8.710 5.528 ( 2.365 -1.319 -1.436) 3.065 7.814 ( -2.418 2.672 14.862) 15.292 7.986 ( 8.051 1.236 -0.173) 8.147 9.510 ( -3.962 1.658 -7.426) 8.579 9.896 ( 0.924 -3.433 -20.638) 20.942 11.320 ( 1.660 -1.751 13.895) 14.103 11.446 ( -3.750 -0.184 13.724) 14.228 14.544 ( -2.374 2.643 15.346) 15.752 14.835 ( -2.288 2.596 2.707) 4.394 15.878 ( 6.337 1.812 6.349) 9.151 16.834 ( -2.501 2.596 -14.075) 14.529 ======================= Grid point 453 (233/282) ======================= q-point: (-0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -3.778 0.717 4.878) 6.212 1.554 ( -1.789 -2.238 -3.762) 4.729 1.735 ( 1.020 0.988 3.215) 3.514 1.801 ( 2.272 1.901 -0.755) 3.057 3.038 ( 2.847 2.777 0.216) 3.983 3.167 ( 2.958 -1.531 -5.542) 6.466 3.598 ( -3.877 1.304 4.880) 6.368 3.700 ( -0.662 -1.799 0.569) 1.999 4.128 ( -5.348 2.321 -3.066) 6.587 4.321 ( 3.101 -0.419 -10.283) 10.748 4.967 ( 3.598 1.807 7.551) 8.558 5.082 ( -2.819 1.216 1.264) 3.320 5.380 ( -5.195 -0.727 5.936) 7.921 5.580 ( 4.286 -1.975 -1.548) 4.967 7.844 ( -3.602 5.539 12.449) 14.094 8.036 ( 4.564 3.764 -0.618) 5.948 9.395 ( -3.234 -0.495 -3.957) 5.135 9.773 ( 0.559 -3.522 -19.593) 19.914 11.502 ( -2.147 -1.127 12.194) 12.433 11.513 ( -0.275 -3.422 11.929) 12.413 14.590 ( -2.949 5.084 13.128) 14.383 14.769 ( -3.465 4.877 1.593) 6.192 15.969 ( 3.454 5.605 9.864) 11.860 16.609 ( -2.867 5.080 -16.570) 17.567 ======================= Grid point 454 (234/282) ======================= q-point: (-0.30 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -5.609 -1.360 7.753) 9.666 1.518 ( -2.042 -1.189 -2.537) 3.467 1.739 ( -0.582 1.731 -0.342) 1.858 1.798 ( 2.918 2.086 -0.917) 3.703 2.999 ( -1.117 2.269 -1.234) 2.814 3.222 ( 9.787 -0.333 -5.613) 11.287 3.541 ( -8.433 -0.927 2.530) 8.853 3.748 ( 6.621 3.432 1.708) 7.651 4.060 ( -3.667 -0.963 3.172) 4.943 4.284 ( 2.457 -0.988 -7.435) 7.893 5.007 ( -4.874 2.472 -0.781) 5.520 5.043 ( 2.109 1.165 4.861) 5.426 5.381 ( -4.375 -1.308 5.385) 7.060 5.652 ( 5.356 -1.974 -2.296) 6.152 7.802 ( -4.938 7.362 8.872) 12.542 7.991 ( 1.629 6.293 -3.262) 7.273 9.395 ( -2.432 -4.687 4.452) 6.906 9.658 ( 0.984 -1.836 -15.309) 15.450 11.535 ( -6.252 -1.843 8.627) 10.812 11.688 ( 1.797 -5.513 6.440) 8.666 14.533 ( -8.369 8.914 8.231) 14.739 14.680 ( -1.830 6.715 4.226) 8.142 15.961 ( -3.739 11.592 9.845) 15.661 16.394 ( 3.605 5.028 -13.750) 15.078 ======================= Grid point 455 (235/282) ======================= q-point: (-0.20 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -8.859 -0.771 4.180) 9.826 1.522 ( -1.150 -2.393 3.459) 4.360 1.670 ( -2.965 2.721 -2.862) 4.938 1.805 ( 3.517 1.954 -1.536) 4.306 2.955 ( -0.343 0.818 -1.915) 2.111 3.305 ( 11.185 1.475 -5.071) 12.369 3.482 ( -4.207 -0.870 1.272) 4.480 3.786 ( 3.976 5.898 4.869) 8.620 4.106 ( 0.083 -3.857 4.148) 5.665 4.284 ( 1.850 -2.402 -3.725) 4.803 4.875 ( -6.252 3.356 -3.919) 8.106 5.089 ( 1.438 0.709 2.487) 2.959 5.399 ( -3.347 -2.017 5.122) 6.442 5.718 ( 5.219 -1.469 -3.374) 6.386 7.688 ( -6.766 8.290 4.921) 11.778 7.890 ( 1.249 6.026 -4.567) 7.663 9.468 ( -4.395 -5.081 1.360) 6.854 9.634 ( 4.335 -2.335 2.186) 5.387 11.548 ( -6.805 -3.740 5.348) 9.429 11.791 ( -0.753 -5.596 -1.067) 5.746 14.337 ( -9.159 10.411 3.851) 14.392 14.589 ( -5.867 10.017 7.777) 13.973 15.762 ( -7.579 13.105 2.378) 15.324 16.363 ( 11.272 5.614 -2.596) 12.857 ======================= Grid point 456 (236/282) ======================= q-point: (-0.10 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -7.633 -0.936 2.076) 7.965 1.551 ( -6.053 0.431 0.343) 6.078 1.591 ( -0.525 -0.709 3.000) 3.127 1.807 ( 3.047 1.963 -2.105) 4.192 2.933 ( -0.182 -0.369 -2.091) 2.132 3.358 ( 7.198 2.975 -4.169) 8.834 3.503 ( 5.174 0.495 2.272) 5.672 3.802 ( 1.419 4.229 6.519) 7.899 4.206 ( 2.179 -4.233 2.642) 5.445 4.316 ( -0.719 -3.431 -0.571) 3.551 4.706 ( -4.599 3.877 -6.908) 9.160 5.104 ( 0.407 0.422 -0.165) 0.609 5.437 ( -2.371 -2.464 5.184) 6.210 5.756 ( 3.988 -0.480 -4.442) 5.989 7.529 ( -7.318 7.702 4.019) 11.359 7.803 ( 2.270 3.821 -6.121) 7.564 9.458 ( -2.811 -2.271 0.429) 3.639 9.825 ( 3.588 -3.960 15.339) 16.243 11.544 ( -7.289 -4.493 1.581) 8.707 11.786 ( -3.877 -4.053 -7.118) 9.062 14.156 ( -5.211 7.116 3.429) 9.463 14.408 ( -11.342 11.522 8.892) 18.452 15.558 ( -2.661 9.580 0.567) 9.959 16.456 ( 14.097 5.998 2.539) 15.529 ======================= Grid point 462 (237/282) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -4.443 -0.000 2.837) 5.272 1.518 ( -0.190 -0.000 -3.668) 3.673 1.747 ( 0.607 0.000 3.412) 3.465 1.828 ( 2.170 0.000 -0.736) 2.291 3.089 ( 9.128 0.000 -1.056) 9.189 3.133 ( -3.733 -0.000 -3.086) 4.844 3.613 ( -10.795 -0.000 5.429) 12.083 3.675 ( 6.725 0.000 1.287) 6.847 4.160 ( -6.716 -0.000 -5.171) 8.476 4.316 ( 4.288 0.000 -11.118) 11.916 4.991 ( 2.275 0.000 8.057) 8.372 5.097 ( -2.543 -0.000 1.395) 2.901 5.374 ( -4.792 -0.000 5.762) 7.495 5.553 ( 4.290 0.000 -1.083) 4.424 7.923 ( -4.150 -0.000 14.474) 15.057 8.079 ( 5.368 0.000 -0.380) 5.382 9.396 ( -5.218 -0.000 -6.094) 8.022 9.719 ( 3.040 0.000 -19.911) 20.142 11.460 ( 2.258 0.000 13.485) 13.673 11.500 ( -5.124 -0.000 11.132) 12.255 14.656 ( -2.327 -0.000 13.078) 13.283 14.831 ( -3.654 -0.000 1.658) 4.013 16.040 ( 5.590 0.000 9.855) 11.330 16.673 ( -4.219 -0.000 -16.114) 16.657 ======================= Grid point 463 (238/282) ======================= q-point: (-0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -5.445 -0.016 5.978) 8.086 1.490 ( -0.123 -0.787 -3.464) 3.554 1.767 ( -0.536 0.530 0.893) 1.169 1.837 ( 1.933 0.822 -1.218) 2.428 3.052 ( -1.762 1.483 -3.782) 4.428 3.203 ( 8.985 -0.780 -1.921) 9.221 3.517 ( -10.103 -0.633 3.500) 10.711 3.799 ( 9.400 0.847 3.371) 10.022 4.055 ( -5.602 0.130 0.123) 5.605 4.272 ( 2.721 -0.137 -8.847) 9.257 5.049 ( -4.908 0.767 -0.207) 4.972 5.065 ( 0.340 0.481 5.784) 5.814 5.366 ( -3.855 -0.062 4.837) 6.186 5.612 ( 5.617 -0.979 -1.738) 5.961 7.949 ( -5.711 3.538 10.267) 12.270 8.102 ( 1.460 2.170 -1.986) 3.285 9.312 ( -4.642 -1.672 1.226) 5.084 9.614 ( 3.853 -1.238 -16.045) 16.548 11.510 ( -6.251 -0.355 7.278) 9.601 11.598 ( 1.299 -1.743 9.204) 9.457 14.705 ( -3.597 4.201 9.272) 10.796 14.782 ( -3.503 1.419 2.682) 4.634 16.176 ( 3.127 4.894 12.001) 13.332 16.461 ( -3.537 0.695 -15.972) 16.374 ======================= Grid point 464 (239/282) ======================= q-point: (-0.30 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -7.918 -0.202 7.221) 10.718 1.478 ( 0.135 -1.041 -1.182) 1.580 1.723 ( -3.878 1.426 -1.656) 4.451 1.844 ( 2.800 0.991 -1.416) 3.291 2.986 ( -0.035 1.409 -4.352) 4.575 3.308 ( 8.786 -1.059 -2.327) 9.150 3.451 ( -6.126 -0.963 3.288) 7.019 3.913 ( 4.847 3.853 4.401) 7.597 4.035 ( 0.421 -1.979 2.690) 3.366 4.242 ( 1.154 -0.970 -4.555) 4.798 4.949 ( -5.994 2.109 -2.501) 6.828 5.097 ( -0.757 0.051 3.057) 3.150 5.364 ( -3.242 -0.611 4.432) 5.525 5.681 ( 5.918 -1.276 -2.943) 6.731 7.870 ( -7.537 5.696 4.570) 10.494 8.030 ( -1.155 4.359 -4.390) 6.294 9.348 ( -3.450 -3.854 8.684) 10.108 9.576 ( 4.615 -2.058 -7.458) 9.009 11.485 ( -6.527 -1.424 3.575) 7.577 11.687 ( -0.588 -2.750 2.815) 3.979 14.588 ( -7.609 8.801 2.995) 12.014 14.775 ( -2.192 3.947 6.947) 8.285 16.063 ( -8.369 10.558 -3.856) 14.013 16.436 ( 7.311 -0.059 2.527) 7.735 ======================= Grid point 465 (240/282) ======================= q-point: (-0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -9.150 0.902 5.208) 10.567 1.499 ( -3.068 -2.255 3.592) 5.235 1.622 ( -4.669 1.305 -2.277) 5.356 1.854 ( 3.326 1.474 -1.987) 4.145 2.940 ( 0.929 0.916 -4.136) 4.337 3.414 ( 9.373 0.938 -4.835) 10.588 3.448 ( -2.006 -3.440 6.026) 7.223 3.914 ( -2.536 3.709 6.623) 8.003 4.123 ( 5.833 -2.342 -2.743) 6.858 4.259 ( 0.460 -0.926 3.613) 3.758 4.805 ( -5.098 3.469 -5.424) 8.213 5.100 ( -1.520 -0.641 0.166) 1.658 5.382 ( -2.398 -1.631 4.687) 5.512 5.737 ( 5.227 -0.923 -4.157) 6.742 7.709 ( -8.787 6.268 1.494) 10.897 7.909 ( -1.617 4.116 -5.868) 7.348 9.414 ( -0.870 -1.103 4.520) 4.734 9.697 ( 4.080 -5.794 10.458) 12.633 11.450 ( -5.874 -2.794 0.630) 6.535 11.698 ( -2.691 -2.792 -3.504) 5.226 14.384 ( -7.679 10.150 1.903) 12.870 14.702 ( -5.986 9.801 6.529) 13.210 15.777 ( -8.869 8.309 -4.729) 13.040 16.573 ( 9.699 2.806 5.968) 11.729 ======================= Grid point 466 (241/282) ======================= q-point: (-0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -7.487 -0.139 4.654) 8.817 1.461 ( -9.620 -1.242 3.451) 10.295 1.597 ( -0.054 -1.046 2.104) 2.350 1.852 ( 3.197 2.258 -2.825) 4.827 2.911 ( 1.108 0.413 -3.540) 3.733 3.420 ( 2.640 1.704 -2.783) 4.197 3.603 ( 7.737 -4.316 4.607) 9.986 3.891 ( -3.489 3.372 7.302) 8.767 4.172 ( -0.358 -5.266 -5.147) 7.372 4.313 ( 0.772 2.476 6.204) 6.724 4.661 ( -0.425 3.316 -6.720) 7.505 5.076 ( -2.305 -1.029 -2.642) 3.654 5.424 ( -1.987 -2.289 5.011) 5.856 5.761 ( 3.855 0.013 -4.951) 6.275 7.542 ( -8.077 5.196 3.001) 10.062 7.793 ( -0.601 2.272 -7.459) 7.820 9.459 ( 0.568 -0.030 5.299) 5.330 9.957 ( 3.791 -5.520 17.876) 19.089 11.415 ( -4.977 -3.022 -1.672) 6.057 11.631 ( -4.358 -1.957 -7.723) 9.082 14.207 ( -4.341 6.997 2.132) 8.506 14.493 ( -10.610 13.645 6.303) 18.398 15.584 ( -4.782 3.502 -1.759) 6.182 16.706 ( 9.845 3.350 4.312) 11.258 ======================= Grid point 473 (242/282) ======================= q-point: (-0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -7.120 -0.000 7.543) 10.373 1.465 ( 0.890 0.000 -2.585) 2.734 1.741 ( -4.270 -0.000 -1.100) 4.409 1.856 ( 2.495 0.000 -1.566) 2.946 3.009 ( 0.594 0.000 -5.617) 5.648 3.286 ( 4.652 0.000 0.782) 4.717 3.440 ( -4.848 -0.000 2.869) 5.633 3.973 ( 11.258 0.000 2.815) 11.605 4.000 ( -5.203 -0.000 3.302) 6.162 4.231 ( 0.998 0.000 -4.910) 5.011 4.974 ( -6.088 -0.000 -1.747) 6.334 5.097 ( -1.956 -0.000 3.501) 4.010 5.360 ( -3.028 -0.000 3.741) 4.813 5.663 ( 6.197 0.000 -2.624) 6.730 7.948 ( -8.213 -0.000 4.310) 9.276 8.087 ( -1.940 -0.000 -4.074) 4.512 9.296 ( -3.118 -0.000 10.681) 11.127 9.546 ( 4.767 0.000 -10.499) 11.531 11.469 ( -6.533 -0.000 2.808) 7.111 11.652 ( -0.761 -0.000 4.242) 4.310 14.732 ( -6.082 -0.000 1.505) 6.266 14.796 ( -1.160 -0.000 7.808) 7.894 16.239 ( -6.398 -0.000 -16.733) 17.915 16.396 ( 4.981 0.000 14.782) 15.599 ======================= Grid point 474 (243/282) ======================= q-point: (-0.30 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -9.412 0.677 8.307) 12.572 1.463 ( -0.233 -0.664 -0.467) 0.845 1.643 ( -7.340 0.424 -1.852) 7.582 1.877 ( 3.404 0.403 -1.703) 3.827 2.971 ( 2.705 1.142 -6.050) 6.725 3.347 ( -1.778 -2.579 7.002) 7.671 3.439 ( 2.771 0.206 -1.272) 3.056 3.972 ( -3.996 0.993 5.224) 6.652 4.087 ( 6.806 -0.641 -7.610) 10.230 4.258 ( 3.333 0.341 7.794) 8.483 4.864 ( -6.044 1.106 -4.045) 7.356 5.083 ( -3.338 -0.435 0.791) 3.458 5.359 ( -2.391 -0.340 3.762) 4.470 5.718 ( 5.998 -0.438 -3.718) 7.071 7.826 ( -10.045 2.585 -0.220) 10.375 7.988 ( -4.016 1.762 -6.309) 7.684 9.410 ( 0.566 0.641 15.050) 15.075 9.564 ( 3.967 -3.853 -0.153) 5.532 11.404 ( -5.671 -0.874 -0.216) 5.742 11.649 ( -2.620 -0.976 -1.329) 3.096 14.615 ( -7.288 6.623 1.743) 10.001 14.837 ( -1.431 1.085 5.036) 5.347 15.970 ( -8.128 5.505 -13.635) 16.802 16.594 ( 5.619 -0.507 12.468) 13.685 ======================= Grid point 475 (244/282) ======================= q-point: (-0.20 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -10.451 1.571 7.580) 13.006 1.427 ( -10.255 -1.123 3.507) 10.896 1.575 ( -0.174 -0.705 -0.461) 0.860 1.896 ( 3.680 1.177 -2.398) 4.547 2.941 ( 3.238 1.801 -5.251) 6.427 3.417 ( -5.385 -2.955 7.127) 9.408 3.489 ( 6.519 -2.447 -0.625) 6.992 3.964 ( -1.888 1.947 5.769) 6.375 4.072 ( 0.479 -2.446 -8.154) 8.526 4.386 ( 5.165 2.773 9.166) 10.880 4.729 ( -4.156 1.727 -6.173) 7.640 5.041 ( -4.138 -1.340 -1.924) 4.756 5.378 ( -1.803 -1.208 4.545) 5.036 5.758 ( 5.185 -0.174 -4.545) 6.897 7.652 ( -10.145 3.230 0.046) 10.647 7.847 ( -4.041 1.780 -7.731) 8.903 9.487 ( 2.245 2.391 5.216) 6.162 9.789 ( 5.090 -7.119 18.102) 20.106 11.351 ( -3.961 -1.797 -1.315) 4.544 11.589 ( -3.746 -1.222 -5.887) 7.084 14.429 ( -7.241 9.289 1.614) 11.888 14.791 ( -3.685 7.452 2.393) 8.651 15.685 ( -9.037 5.003 -8.298) 13.250 16.756 ( 5.574 0.534 7.185) 9.109 ======================= Grid point 476 (245/282) ======================= q-point: (-0.10 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -9.101 0.078 7.550) 11.825 1.347 ( -11.249 -2.363 7.148) 13.536 1.608 ( 1.544 -1.000 1.366) 2.291 1.894 ( 3.177 2.111 -3.475) 5.161 2.918 ( 3.051 1.762 -3.903) 5.258 3.414 ( -2.524 -0.986 -0.356) 2.733 3.635 ( 0.608 -6.993 6.592) 9.630 3.972 ( 1.048 2.830 2.691) 4.044 4.036 ( -2.288 -3.144 -3.147) 5.002 4.417 ( -0.397 5.320 0.766) 5.389 4.657 ( 2.174 0.742 -1.913) 2.990 4.983 ( -4.082 -1.997 -3.426) 5.691 5.418 ( -2.088 -1.725 5.188) 5.852 5.771 ( 3.832 0.706 -4.919) 6.275 7.511 ( -8.379 2.189 3.571) 9.367 7.719 ( -2.178 0.387 -8.284) 8.575 9.529 ( 0.805 0.876 4.601) 4.752 10.123 ( 7.774 -4.626 18.975) 21.021 11.323 ( -2.441 -1.557 -1.201) 3.134 11.493 ( -3.631 -0.856 -6.940) 7.879 14.259 ( -4.349 6.970 1.823) 8.416 14.589 ( -7.450 14.176 1.300) 16.067 15.508 ( -6.312 -0.688 -2.560) 6.846 16.840 ( 3.069 0.397 0.432) 3.125 ======================= Grid point 484 (246/282) ======================= q-point: (-0.30 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -11.574 -0.000 9.456) 14.945 1.412 ( -9.341 -0.000 1.865) 9.525 1.565 ( -0.814 -0.000 -1.128) 1.391 1.911 ( 3.827 0.000 -2.074) 4.353 2.974 ( 5.212 0.000 -7.045) 8.764 3.352 ( -8.500 -0.000 12.815) 15.377 3.470 ( 4.413 0.000 -2.734) 5.192 3.988 ( -0.989 -0.000 4.912) 5.010 4.044 ( 1.357 0.000 -9.627) 9.722 4.426 ( 6.648 0.000 10.744) 12.635 4.748 ( -6.108 -0.000 -6.096) 8.629 5.023 ( -4.905 -0.000 -1.389) 5.098 5.363 ( -1.837 -0.000 4.121) 4.512 5.755 ( 5.671 0.000 -4.320) 7.129 7.695 ( -11.055 -0.000 -1.175) 11.118 7.871 ( -5.289 -0.000 -8.038) 9.622 9.553 ( 1.819 0.000 -0.472) 1.880 9.658 ( 6.575 0.000 23.995) 24.880 11.328 ( -3.774 -0.000 -1.304) 3.993 11.573 ( -3.648 -0.000 -5.172) 6.329 14.578 ( -8.036 -0.000 1.676) 8.208 14.858 ( -1.141 -0.000 1.928) 2.241 15.776 ( -7.418 -0.000 -14.906) 16.650 16.754 ( 3.005 0.000 10.593) 11.011 ======================= Grid point 485 (247/282) ======================= q-point: (-0.20 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -12.547 0.946 9.670) 15.869 1.301 ( -12.981 -1.062 7.215) 14.889 1.587 ( 3.290 -0.529 -0.432) 3.360 1.930 ( 3.231 0.719 -3.207) 4.609 2.973 ( 5.722 1.979 -6.227) 8.685 3.348 ( -10.358 -3.026 8.856) 13.959 3.517 ( 1.159 -2.130 2.788) 3.695 3.968 ( -1.603 -0.762 -8.436) 8.620 4.039 ( 3.787 0.895 4.014) 5.591 4.548 ( 0.146 4.646 2.174) 5.132 4.640 ( -0.613 -2.258 -0.871) 2.497 4.944 ( -4.966 -0.814 -2.544) 5.638 5.386 ( -1.802 -0.693 5.040) 5.397 5.783 ( 4.862 0.223 -4.653) 6.733 7.549 ( -10.237 0.796 1.534) 10.382 7.729 ( -4.466 0.251 -8.769) 9.844 9.559 ( -0.625 1.054 2.374) 2.672 10.013 ( 12.475 -2.993 21.162) 24.747 11.293 ( -1.656 -0.695 0.181) 1.805 11.477 ( -2.808 -0.351 -6.608) 7.188 14.446 ( -7.943 5.821 1.629) 9.981 14.827 ( -2.073 3.243 -1.509) 4.134 15.540 ( -7.177 2.631 -11.318) 13.658 16.833 ( -1.197 -0.586 2.520) 2.851 ======================= Grid point 486 (248/282) ======================= q-point: (-0.10 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -10.772 -0.306 10.208) 14.843 1.261 ( -9.304 -2.461 11.227) 14.788 1.636 ( 3.271 -0.511 0.074) 3.312 1.915 ( 1.863 1.350 -4.455) 5.014 2.964 ( 4.769 2.871 -3.870) 6.779 3.322 ( -8.171 -3.885 2.700) 9.442 3.588 ( -3.889 -4.487 5.472) 8.075 3.876 ( -4.113 -2.055 -6.581) 8.029 4.134 ( 7.692 0.925 3.619) 8.551 4.415 ( -4.745 3.932 -4.878) 7.859 4.690 ( 0.108 0.664 0.327) 0.748 4.904 ( -0.957 -1.488 1.303) 2.197 5.419 ( -2.488 -1.090 5.840) 6.441 5.787 ( 3.466 1.052 -4.816) 6.026 7.454 ( -8.606 -0.084 5.463) 10.193 7.614 ( -1.634 -0.991 -8.498) 8.711 9.553 ( -2.716 -0.039 2.574) 3.742 10.364 ( 13.322 -1.586 9.895) 16.670 11.297 ( -0.640 0.142 2.384) 2.472 11.431 ( 2.375 -0.026 -0.764) 2.495 14.292 ( -5.852 5.624 1.671) 8.287 14.668 ( -4.134 11.264 -4.085) 12.675 15.377 ( -5.844 -2.173 -4.337) 7.594 16.775 ( -7.631 -2.694 -6.706) 10.510 ======================= Grid point 495 (249/282) ======================= q-point: (-0.20 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -13.049 -0.000 10.991) 17.061 1.227 ( -10.148 -0.000 12.075) 15.773 1.629 ( 4.478 0.000 -0.958) 4.579 1.932 ( 1.617 0.000 -4.598) 4.874 3.017 ( 7.637 0.000 -6.708) 10.165 3.249 ( -12.765 -0.000 7.956) 15.041 3.526 ( -3.463 -0.000 6.196) 7.098 3.856 ( -3.558 -0.000 -8.748) 9.444 4.144 ( 7.089 0.000 1.423) 7.231 4.470 ( -5.467 -0.000 -5.346) 7.646 4.696 ( 0.106 0.000 2.966) 2.968 4.885 ( -0.725 -0.000 1.872) 2.008 5.404 ( -2.248 -0.000 5.854) 6.271 5.800 ( 3.981 0.000 -4.737) 6.188 7.452 ( -9.557 -0.000 4.596) 10.605 7.601 ( -2.874 -0.000 -8.916) 9.368 9.554 ( -3.866 -0.000 2.681) 4.704 10.339 ( 16.166 0.000 9.407) 18.704 11.298 ( 0.119 0.000 4.021) 4.022 11.430 ( 3.861 0.000 -1.320) 4.080 14.389 ( -8.905 -0.000 1.671) 9.061 14.795 ( -2.122 -0.000 -4.506) 4.981 15.379 ( -3.016 -0.000 -12.981) 13.327 16.732 ( -12.248 -0.000 -5.713) 13.515 ======================= Grid point 496 (250/282) ======================= q-point: (-0.10 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -10.296 -0.751 12.143) 15.938 1.255 ( -5.095 -1.402 13.560) 14.553 1.678 ( 4.551 0.008 -1.451) 4.777 1.893 ( -0.143 0.373 -5.413) 5.428 3.036 ( 5.413 3.188 -3.841) 7.364 3.180 ( -9.385 -3.941 3.228) 10.678 3.531 ( -5.796 -1.455 4.383) 7.411 3.729 ( -5.388 -2.066 -7.655) 9.587 4.210 ( 1.876 -0.897 -2.951) 3.610 4.409 ( 1.891 2.577 3.215) 4.533 4.659 ( -3.300 0.584 -2.217) 4.018 4.948 ( 2.500 -0.200 5.485) 6.031 5.430 ( -2.851 -0.498 6.518) 7.132 5.796 ( 2.630 0.776 -4.878) 5.596 7.391 ( -8.961 -0.719 7.277) 11.566 7.515 ( 0.382 -1.399 -8.033) 8.163 9.519 ( -5.472 -0.277 2.973) 6.233 10.500 ( 7.936 -0.360 -9.793) 12.610 11.358 ( 0.910 0.665 8.628) 8.701 11.603 ( 18.715 1.493 8.522) 20.618 14.269 ( -8.401 2.595 1.629) 8.942 14.676 ( -3.065 5.305 -8.305) 10.321 15.258 ( -0.211 -0.129 -8.630) 8.634 16.439 ( -24.011 -5.254 -11.977) 27.342 ======================= Grid point 506 (251/282) ======================= q-point: (-0.10 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -6.852 -0.000 13.636) 15.261 1.321 ( -1.491 -0.000 11.996) 12.088 1.722 ( 4.959 0.000 -2.836) 5.713 1.835 ( -1.233 -0.000 -5.376) 5.515 3.048 ( -9.676 -0.000 3.310) 10.227 3.107 ( 6.477 0.000 -5.394) 8.429 3.476 ( -7.199 -0.000 2.929) 7.772 3.561 ( -4.436 -0.000 -10.295) 11.210 4.190 ( -1.315 -0.000 2.472) 2.800 4.530 ( 6.554 0.000 5.071) 8.287 4.607 ( -2.860 -0.000 -1.191) 3.098 5.018 ( 1.289 0.000 3.981) 4.185 5.448 ( -3.099 -0.000 6.814) 7.485 5.785 ( 1.757 0.000 -4.891) 5.197 7.340 ( -9.219 -0.000 8.537) 12.564 7.459 ( 3.373 0.000 -7.153) 7.908 9.472 ( -6.387 -0.000 4.637) 7.893 10.419 ( 1.640 0.000 -18.785) 18.857 11.476 ( 1.248 0.000 13.641) 13.698 12.023 ( 30.730 0.000 6.503) 31.411 14.178 ( -9.692 -0.000 1.420) 9.795 14.564 ( -5.697 -0.000 -12.602) 13.830 15.230 ( 9.555 0.000 -12.285) 15.564 15.873 ( -40.569 -0.000 -7.422) 41.243 ======================= Grid point 507 (252/282) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 2.155 0.000 -9.419) 9.662 1.374 ( -2.155 -0.000 9.419) 9.662 1.713 ( 1.067 0.000 -1.045) 1.493 1.713 ( -1.067 -0.000 1.045) 1.493 2.996 ( -1.598 -0.000 -2.482) 2.952 2.996 ( 1.598 0.000 2.482) 2.952 3.312 ( 8.589 0.000 -3.590) 9.309 3.312 ( -8.589 -0.000 3.590) 9.309 4.490 ( 0.360 0.000 -5.795) 5.806 4.490 ( -0.360 -0.000 5.795) 5.806 4.904 ( -6.017 -0.000 -5.768) 8.336 4.904 ( 6.017 0.000 5.768) 8.336 5.629 ( 4.780 0.000 -7.461) 8.861 5.629 ( -4.780 -0.000 7.461) 8.861 7.403 ( 8.049 0.000 -5.812) 9.928 7.403 ( -8.049 -0.000 5.812) 9.928 9.723 ( 1.183 0.000 -14.934) 14.981 9.723 ( -1.183 -0.000 14.934) 14.981 12.253 ( 7.786 0.000 -24.044) 25.273 12.253 ( -7.786 -0.000 24.044) 25.273 13.985 ( 1.998 0.000 -0.707) 2.120 13.985 ( -1.998 -0.000 0.707) 2.120 15.187 ( 24.379 0.000 -11.893) 27.125 15.187 ( -24.379 -0.000 11.893) 27.125 ======================= Grid point 509 (253/282) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 1.664 -1.707 -11.244) 11.494 1.424 ( -2.728 -1.843 5.638) 6.529 1.695 ( -0.960 1.775 0.992) 2.248 1.727 ( 1.216 -0.427 0.504) 1.384 2.991 ( 1.860 -0.127 0.026) 1.865 3.061 ( 4.035 -0.900 1.189) 4.302 3.273 ( -4.804 -1.711 5.650) 7.612 3.424 ( 9.179 -2.978 -0.738) 9.678 4.415 ( 0.675 2.620 -8.462) 8.884 4.513 ( -0.225 2.442 4.343) 4.988 4.769 ( -7.661 -0.757 -5.811) 9.645 5.012 ( 3.531 -0.400 3.593) 5.053 5.623 ( 4.864 -0.007 -7.782) 9.177 5.631 ( -4.408 0.553 7.337) 8.577 7.374 ( -6.233 -2.608 4.945) 8.373 7.469 ( 8.065 -2.169 -6.298) 10.460 9.625 ( 1.962 1.305 -10.307) 10.573 9.863 ( 0.951 0.127 17.250) 17.277 12.043 ( -1.179 3.730 -23.399) 23.724 12.225 ( -17.486 4.782 13.831) 22.802 14.028 ( 2.609 -0.478 4.503) 5.227 14.119 ( 7.196 -4.641 7.086) 11.115 15.079 ( -15.375 -7.200 11.141) 20.307 15.488 ( 28.943 -6.132 -6.670) 30.328 ======================= Grid point 510 (254/282) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 1.219 -0.975 -10.006) 10.127 1.447 ( -2.675 -2.532 1.587) 4.011 1.677 ( 0.226 0.917 0.015) 0.944 1.759 ( 0.335 -0.530 2.563) 2.639 2.999 ( -1.087 1.691 0.614) 2.102 3.143 ( 4.586 -3.329 0.189) 5.670 3.344 ( 4.340 -1.441 5.704) 7.311 3.608 ( 8.828 -5.697 3.223) 10.990 4.314 ( 1.842 2.793 -8.901) 9.509 4.508 ( -0.525 3.707 4.648) 5.968 4.622 ( -8.221 -0.547 -6.076) 10.238 5.061 ( 0.951 -0.367 -0.151) 1.031 5.616 ( 4.229 -0.264 -7.359) 8.492 5.633 ( -3.159 1.266 6.424) 7.270 7.396 ( -3.944 -4.431 4.467) 7.426 7.541 ( 6.310 -3.168 -6.441) 9.558 9.559 ( 1.985 2.477 -4.529) 5.531 10.042 ( 2.427 -0.071 17.810) 17.974 11.776 ( -3.697 3.490 -17.818) 18.529 11.979 ( -18.798 5.726 1.515) 19.709 14.110 ( 3.000 0.702 4.997) 5.870 14.308 ( 1.629 -2.767 8.890) 9.452 15.162 ( -4.023 -11.727 6.675) 14.081 15.934 ( 26.814 -8.763 3.021) 28.371 ======================= Grid point 511 (255/282) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 1.841 0.123 -6.223) 6.491 1.458 ( -1.051 -2.867 -1.049) 3.228 1.670 ( 0.277 -0.075 -1.627) 1.652 1.784 ( -1.405 0.220 3.955) 4.203 2.945 ( -3.086 1.738 -0.474) 3.573 3.252 ( 4.528 -2.457 1.418) 5.343 3.504 ( 10.024 -2.083 4.327) 11.115 3.823 ( 6.179 -6.069 4.600) 9.806 4.251 ( 3.096 1.361 -6.023) 6.907 4.425 ( -9.790 1.919 -3.281) 10.502 4.536 ( 1.354 2.121 2.059) 3.251 5.050 ( -0.724 -0.541 -3.393) 3.511 5.607 ( 3.744 -0.483 -7.140) 8.077 5.628 ( -2.805 1.938 5.655) 6.603 7.456 ( -2.488 -4.570 4.832) 7.102 7.589 ( 4.118 -2.909 -6.715) 8.397 9.539 ( 2.418 2.134 0.419) 3.252 10.226 ( 1.868 0.176 16.654) 16.760 11.550 ( -5.003 2.702 -12.622) 13.843 11.686 ( -12.304 3.426 -6.585) 14.370 14.163 ( 1.807 1.951 3.613) 4.486 14.384 ( -3.594 -0.911 7.127) 8.033 15.337 ( 1.932 -10.056 2.185) 10.470 16.392 ( 18.942 -7.228 8.427) 21.955 ======================= Grid point 512 (256/282) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 1.822 0.277 -2.616) 3.200 1.474 ( 0.329 -2.170 -1.673) 2.760 1.657 ( -0.075 -0.196 -1.667) 1.680 1.788 ( -1.942 0.660 3.320) 3.903 2.886 ( -2.069 1.126 -0.575) 2.425 3.331 ( 2.539 -0.996 1.050) 2.922 3.720 ( 12.766 -2.443 4.089) 13.625 3.965 ( 0.022 -4.299 2.705) 5.079 4.223 ( -9.688 2.838 -5.820) 11.652 4.250 ( 2.703 -0.092 -1.727) 3.209 4.578 ( 3.133 1.319 4.377) 5.542 5.003 ( -1.658 -0.440 -4.489) 4.805 5.600 ( 4.134 -0.928 -7.785) 8.863 5.614 ( -3.696 2.121 6.577) 7.837 7.522 ( -2.136 -2.992 5.508) 6.622 7.601 ( 2.710 -1.536 -6.749) 7.433 9.567 ( 2.289 0.868 2.260) 3.331 10.361 ( 0.068 0.522 11.239) 11.251 11.363 ( -3.903 1.771 -8.061) 9.130 11.494 ( -4.666 0.812 -6.418) 7.976 14.177 ( 0.697 1.709 1.841) 2.606 14.389 ( -3.430 -0.124 3.832) 5.144 15.474 ( 1.953 -5.301 0.304) 5.657 16.713 ( 9.328 -3.717 6.301) 11.854 ======================= Grid point 513 (257/282) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 0.000 -0.000 0.000) 0.000 1.484 ( -0.000 -0.000 0.000) 0.000 1.649 ( 0.000 -0.000 -0.000) 0.000 1.784 ( 0.000 -0.000 -0.000) 0.000 2.862 ( 0.000 -0.000 -0.000) 0.000 3.359 ( 0.000 -0.000 -0.000) 0.000 3.928 ( 0.000 -0.000 -0.000) 0.000 3.952 ( 0.000 -0.000 0.000) 0.000 4.074 ( 0.000 0.000 -0.000) 0.000 4.265 ( -0.000 -0.000 -0.000) 0.000 4.621 ( 0.000 -0.000 -0.000) 0.000 4.967 ( 0.000 -0.000 0.000) 0.000 5.601 ( -0.000 0.000 0.001) 0.001 5.601 ( 0.000 -0.000 -0.001) 0.001 7.561 ( 0.000 -0.000 -0.000) 0.000 7.589 ( 0.000 -0.000 0.000) 0.000 9.591 ( 0.000 -0.000 0.000) 0.000 10.407 ( 0.000 -0.000 -0.000) 0.000 11.291 ( 0.000 -0.000 -0.000) 0.000 11.429 ( 0.000 -0.000 -0.000) 0.000 14.178 ( 0.000 -0.000 -0.000) 0.000 14.382 ( 0.000 -0.000 -0.000) 0.000 15.521 ( 0.000 -0.000 0.000) 0.000 16.825 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 520 (258/282) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 3.754 0.000 -11.199) 11.812 1.414 ( -2.826 -0.000 2.685) 3.898 1.709 ( 0.600 0.000 -2.648) 2.715 1.733 ( -0.691 -0.000 4.293) 4.349 3.055 ( 6.137 0.000 1.359) 6.285 3.056 ( -3.333 -0.000 -0.291) 3.346 3.340 ( 3.686 0.000 10.961) 11.564 3.524 ( 11.492 0.000 -1.654) 11.610 4.350 ( 0.413 0.000 -11.022) 11.030 4.560 ( 0.195 0.000 3.477) 3.482 4.618 ( -8.354 -0.000 -3.935) 9.234 5.057 ( 0.697 0.000 0.491) 0.853 5.610 ( 4.461 0.000 -8.371) 9.485 5.649 ( -3.825 -0.000 7.605) 8.513 7.338 ( -4.101 -0.000 5.770) 7.080 7.500 ( 8.093 0.000 -7.383) 10.954 9.595 ( 3.270 0.000 -6.532) 7.305 10.036 ( 1.234 0.000 18.501) 18.542 11.825 ( -4.387 -0.000 -20.580) 21.042 12.054 ( -23.809 -0.000 3.512) 24.066 14.131 ( 3.506 0.000 6.624) 7.495 14.294 ( 8.345 0.000 12.846) 15.319 14.983 ( -7.074 -0.000 10.704) 12.830 15.815 ( 32.498 0.000 -0.942) 32.512 ======================= Grid point 521 (259/282) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 5.981 0.143 -9.230) 10.999 1.404 ( -1.358 -1.184 0.011) 1.801 1.679 ( 0.293 0.599 -3.476) 3.540 1.774 ( -1.327 -0.681 5.524) 5.722 2.987 ( -4.657 1.346 0.267) 4.855 3.177 ( 6.389 -2.571 2.121) 7.206 3.496 ( 6.988 0.976 9.108) 11.522 3.690 ( 12.081 -3.705 -1.613) 12.738 4.251 ( -1.627 -0.363 -8.902) 9.056 4.481 ( -6.358 1.602 -3.013) 7.216 4.591 ( 1.060 1.425 4.021) 4.396 5.041 ( -1.242 -0.173 -2.997) 3.248 5.591 ( 3.923 -0.490 -8.569) 9.437 5.662 ( -3.949 0.682 7.273) 8.304 7.371 ( -1.360 -1.844 6.719) 7.099 7.538 ( 6.714 -1.035 -7.215) 9.910 9.588 ( 3.118 1.262 -2.485) 4.182 10.212 ( 0.728 -0.668 16.522) 16.552 11.599 ( -4.823 1.029 -15.111) 15.895 11.743 ( -20.409 1.085 -4.437) 20.913 14.218 ( 1.474 1.361 7.295) 7.566 14.461 ( 4.129 4.943 12.048) 13.661 15.089 ( 2.508 -7.648 6.954) 10.636 16.253 ( 26.973 -3.132 5.962) 27.801 ======================= Grid point 522 (260/282) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 6.620 1.402 -6.359) 9.286 1.418 ( 2.013 -1.937 -2.118) 3.506 1.647 ( -0.058 -0.487 -3.550) 3.584 1.802 ( -2.925 0.363 6.100) 6.775 2.917 ( -3.893 1.214 0.353) 4.093 3.297 ( 4.180 -1.724 2.594) 5.213 3.663 ( 8.923 -1.107 6.098) 10.864 3.853 ( 8.760 -4.243 -5.882) 11.373 4.163 ( -7.173 -1.976 -2.315) 7.792 4.378 ( 0.120 4.162 -1.653) 4.480 4.628 ( 1.927 2.099 4.969) 5.728 4.988 ( -1.633 -0.606 -5.144) 5.431 5.572 ( 3.376 -1.067 -8.438) 9.151 5.657 ( -4.885 1.160 6.910) 8.541 7.457 ( 0.541 -1.961 7.630) 7.897 7.569 ( 5.372 -0.917 -6.124) 8.198 9.599 ( 2.860 1.341 -0.284) 3.171 10.340 ( -2.108 -1.542 9.827) 10.168 11.406 ( -5.952 1.523 -8.722) 10.669 11.492 ( -9.539 -0.801 -6.105) 11.353 14.257 ( 0.409 3.647 5.872) 6.925 14.510 ( 2.126 8.113 10.434) 13.387 15.299 ( 6.234 -7.791 2.943) 10.402 16.632 ( 16.305 -2.436 6.709) 17.799 ======================= Grid point 523 (261/282) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 4.974 2.349 -4.071) 6.843 1.463 ( 4.423 -1.391 -2.348) 5.197 1.634 ( 0.580 -1.356 -2.778) 3.145 1.799 ( -3.686 1.032 5.182) 6.442 2.870 ( -1.997 0.633 0.583) 2.174 3.361 ( 0.682 0.068 2.367) 2.464 3.858 ( 9.679 -4.465 -1.409) 10.752 3.879 ( -4.203 -3.644 -3.398) 6.519 4.089 ( -1.546 0.483 -1.983) 2.560 4.354 ( 3.139 5.085 3.246) 6.801 4.650 ( -0.876 1.957 1.676) 2.721 4.952 ( 0.750 -1.038 -1.877) 2.273 5.558 ( 3.079 -1.722 -8.030) 8.770 5.635 ( -5.771 1.052 7.274) 9.344 7.554 ( 1.815 -0.353 6.671) 6.923 7.593 ( 4.279 0.210 -2.980) 5.219 9.607 ( 1.408 1.097 -1.791) 2.529 10.360 ( -4.218 -3.262 -2.362) 5.832 11.296 ( -2.177 0.385 -0.838) 2.364 11.405 ( -2.725 -1.641 0.190) 3.186 14.247 ( 0.542 5.126 3.644) 6.313 14.515 ( 3.225 8.944 7.959) 12.399 15.469 ( 5.464 -3.864 1.195) 6.798 16.827 ( 5.915 0.175 1.590) 6.127 ======================= Grid point 524 (262/282) ======================= q-point: ( 0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 2.603 2.247 -1.569) 3.780 1.511 ( 3.969 0.651 -0.597) 4.066 1.647 ( 1.710 -1.413 -1.756) 2.829 1.781 ( -2.501 0.509 2.441) 3.532 2.865 ( 0.290 -0.453 1.009) 1.144 3.358 ( -2.528 1.185 1.524) 3.180 3.740 ( -9.701 -1.047 -6.688) 11.829 4.048 ( 4.393 -5.083 1.336) 6.850 4.064 ( 2.515 1.066 -3.258) 4.252 4.366 ( 4.725 5.530 3.493) 8.069 4.580 ( -4.592 1.491 -1.557) 5.073 5.002 ( 2.646 -0.614 3.588) 4.500 5.554 ( 2.974 -2.389 -7.336) 8.268 5.617 ( -5.923 0.420 7.904) 9.886 7.597 ( 5.038 2.691 -2.926) 6.418 7.642 ( 0.609 1.644 8.100) 8.288 9.564 ( -1.340 0.714 -4.762) 4.998 10.295 ( -2.866 -4.640 -12.674) 13.798 11.319 ( 0.813 -1.675 6.283) 6.553 11.457 ( 1.329 -1.803 7.245) 7.583 14.217 ( 1.613 5.081 1.631) 5.575 14.513 ( 5.300 8.586 4.396) 11.007 15.554 ( 3.521 1.107 1.048) 3.837 16.807 ( -2.724 3.535 -5.126) 6.796 ======================= Grid point 525 (263/282) ======================= q-point: (-0.40 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 1.928 1.365 2.021) 3.109 1.533 ( 2.696 2.741 0.831) 3.933 1.673 ( 1.480 -0.565 -0.552) 1.678 1.766 ( -1.106 -0.554 -0.852) 1.502 2.904 ( 2.101 -1.424 1.161) 2.791 3.298 ( -5.184 1.587 0.357) 5.433 3.568 ( -8.399 1.906 -3.612) 9.340 3.975 ( -0.146 5.613 -9.146) 10.732 4.153 ( -4.357 -5.626 5.493) 8.989 4.400 ( 4.809 -0.606 -5.380) 7.241 4.542 ( 1.944 3.113 7.405) 8.264 5.063 ( 0.973 0.310 3.586) 3.728 5.565 ( 3.284 -2.753 -6.871) 8.098 5.613 ( -5.793 -0.201 8.319) 10.139 7.584 ( 4.121 5.194 -1.835) 6.879 7.678 ( -0.242 3.911 6.806) 7.853 9.498 ( -2.029 -0.888 -3.764) 4.368 10.178 ( -2.972 -3.883 -17.549) 18.218 11.465 ( 4.661 -3.938 9.394) 11.202 11.593 ( 3.244 -3.229 9.656) 10.686 14.191 ( 2.709 4.701 -0.001) 5.425 14.505 ( 5.727 7.883 0.485) 9.756 15.551 ( 2.117 6.517 1.127) 6.944 16.586 ( -10.183 7.565 -9.673) 15.953 ======================= Grid point 526 (264/282) ======================= q-point: (-0.30 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 2.916 0.607 6.372) 7.033 1.531 ( 2.575 3.738 0.378) 4.555 1.679 ( 0.310 0.587 -0.839) 1.070 1.746 ( -1.698 -1.202 -2.395) 3.172 2.960 ( 2.050 -1.444 0.541) 2.565 3.199 ( -6.570 1.451 -0.834) 6.780 3.430 ( -3.534 4.317 -0.746) 5.629 3.774 ( -5.450 6.900 -8.046) 11.918 4.217 ( -3.174 -4.613 6.367) 8.479 4.401 ( 0.129 -4.176 -6.299) 7.559 4.659 ( 8.293 2.549 8.273) 11.988 5.076 ( -1.147 0.804 1.130) 1.800 5.583 ( 3.959 -2.405 -6.894) 8.306 5.616 ( -5.935 -0.481 8.169) 10.109 7.543 ( 3.711 6.720 -1.309) 7.788 7.653 ( -2.276 5.476 4.739) 7.591 9.490 ( -0.651 -2.617 1.391) 3.035 10.016 ( -3.805 -2.554 -17.851) 18.430 11.670 ( 3.822 -4.680 11.577) 13.058 11.798 ( 7.902 -7.446 4.477) 11.744 14.162 ( 3.166 5.266 -1.104) 6.242 14.450 ( 2.008 7.956 -2.754) 8.655 15.472 ( 3.536 11.662 -0.194) 12.188 16.205 ( -16.466 11.582 -8.906) 22.014 ======================= Grid point 527 (265/282) ======================= q-point: (-0.20 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 2.218 1.879 9.719) 10.144 1.505 ( 2.581 4.153 -3.122) 5.802 1.663 ( 0.852 -0.250 -2.379) 2.539 1.712 ( -3.393 -1.432 -1.149) 3.858 2.991 ( 1.022 -0.210 -0.107) 1.049 3.090 ( -5.896 1.126 -1.300) 6.142 3.365 ( 2.619 5.196 0.936) 5.894 3.551 ( -6.563 6.415 -4.864) 10.386 4.309 ( -1.534 -5.107 7.259) 9.007 4.408 ( 0.079 -5.129 -5.807) 7.748 4.802 ( 7.661 1.803 6.572) 10.253 5.031 ( -3.439 1.025 -2.284) 4.254 5.604 ( 4.749 -1.632 -6.987) 8.604 5.617 ( -5.797 -0.591 7.574) 9.556 7.495 ( 4.592 6.551 -2.096) 8.270 7.572 ( -4.759 5.759 3.787) 8.376 9.569 ( 0.711 -2.881 7.714) 8.265 9.844 ( -3.385 -1.728 -15.953) 16.400 11.894 ( 1.132 -6.967 15.627) 17.147 12.021 ( 9.563 -9.998 -6.885) 15.453 14.119 ( 3.649 6.767 -1.010) 7.754 14.295 ( -4.644 8.835 -4.044) 10.769 15.372 ( 10.342 14.129 -3.647) 17.886 15.753 ( -20.324 13.515 -1.766) 24.471 ======================= Grid point 528 (266/282) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 2.170 3.667 -9.398) 10.319 1.427 ( -2.170 3.667 9.398) 10.319 1.689 ( 0.275 -1.690 -0.776) 1.880 1.689 ( -0.275 -1.690 0.776) 1.880 3.009 ( -0.760 0.831 -2.396) 2.648 3.009 ( 0.760 0.831 2.396) 2.648 3.372 ( -4.914 4.535 -1.508) 6.854 3.372 ( 4.914 4.535 1.508) 6.854 4.423 ( 0.575 -4.733 -6.473) 8.040 4.423 ( -0.575 -4.733 6.473) 8.040 4.922 ( -5.685 1.249 -5.440) 7.967 4.922 ( 5.685 1.249 5.440) 7.967 5.620 ( 5.214 -0.725 -7.315) 9.012 5.620 ( -5.214 -0.725 7.315) 9.012 7.465 ( 5.782 4.759 -5.396) 9.230 7.465 ( -5.782 4.759 5.396) 9.230 9.704 ( -0.580 -1.562 -13.731) 13.832 9.704 ( 0.580 -1.562 13.731) 13.832 12.130 ( 6.494 -8.581 -19.584) 22.346 12.130 ( -6.494 -8.581 19.584) 22.346 14.084 ( -4.336 7.303 -2.127) 8.756 14.084 ( 4.336 7.303 2.127) 8.756 15.350 ( 9.308 11.828 -13.107) 19.958 15.350 ( -9.308 11.828 13.107) 19.958 ======================= Grid point 532 (267/282) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 9.372 0.000 -8.116) 12.398 1.391 ( 1.554 0.000 -0.960) 1.827 1.640 ( -0.445 -0.000 -5.301) 5.319 1.806 ( -2.573 -0.000 7.355) 7.792 2.935 ( -4.980 -0.000 1.070) 5.094 3.268 ( 5.998 0.000 2.808) 6.622 3.661 ( 3.626 0.000 10.261) 10.883 3.786 ( 14.666 0.000 -12.069) 18.994 4.138 ( -6.760 -0.000 -1.503) 6.925 4.432 ( -0.069 -0.000 -1.203) 1.205 4.658 ( 1.758 0.000 4.740) 5.055 4.979 ( -1.904 -0.000 -5.348) 5.677 5.557 ( 3.065 0.000 -8.495) 9.032 5.671 ( -5.270 -0.000 6.968) 8.736 7.431 ( 1.676 0.000 8.477) 8.641 7.557 ( 6.340 0.000 -6.029) 8.749 9.619 ( 2.997 0.000 -1.396) 3.306 10.315 ( -2.913 -0.000 9.244) 9.692 11.431 ( -4.634 -0.000 -10.134) 11.143 11.474 ( -13.601 -0.000 -4.675) 14.382 14.314 ( 0.112 0.000 9.872) 9.873 14.655 ( 4.190 0.000 9.005) 9.932 15.166 ( 7.569 0.000 6.643) 10.071 16.600 ( 19.628 0.000 6.482) 20.671 ======================= Grid point 533 (268/282) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 9.374 1.964 -6.795) 11.743 1.432 ( 5.470 -0.812 -1.395) 5.703 1.591 ( -0.786 -1.421 -4.868) 5.132 1.824 ( -4.156 0.671 7.053) 8.214 2.888 ( -3.548 0.554 1.649) 3.951 3.357 ( 2.727 -0.323 3.067) 4.117 3.779 ( 4.336 -1.202 0.793) 4.569 3.798 ( 1.788 -2.299 -9.353) 9.796 4.091 ( 0.289 -0.110 -0.035) 0.311 4.457 ( 3.728 2.380 4.198) 6.098 4.695 ( -0.899 1.126 1.097) 1.811 4.927 ( 0.881 -0.634 -3.009) 3.199 5.523 ( 2.321 -0.825 -7.887) 8.263 5.653 ( -6.539 0.357 6.929) 9.534 7.548 ( 3.504 -0.101 9.317) 9.955 7.596 ( 6.328 0.011 -3.348) 7.159 9.634 ( 2.316 0.756 -2.399) 3.420 10.282 ( -6.929 -2.036 -4.540) 8.531 11.309 ( -3.727 0.480 -2.837) 4.709 11.364 ( -3.666 -1.197 2.138) 4.409 14.382 ( 0.821 3.913 9.108) 9.947 14.728 ( 2.960 5.803 7.473) 9.914 15.360 ( 9.088 -3.471 5.248) 11.054 16.831 ( 9.889 0.123 2.182) 10.128 ======================= Grid point 534 (269/282) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 6.025 3.820 -4.784) 8.590 1.514 ( 6.902 -0.220 -0.429) 6.919 1.582 ( 1.470 -3.344 -5.014) 6.204 1.810 ( -4.856 1.282 6.015) 7.836 2.865 ( -1.302 0.396 1.808) 2.263 3.386 ( -1.883 0.885 2.935) 3.598 3.689 ( -3.405 -2.318 -11.815) 12.513 3.903 ( -0.876 -4.263 8.298) 9.370 4.107 ( 7.301 0.794 -7.981) 10.846 4.505 ( 3.310 5.110 2.458) 6.565 4.626 ( -3.547 1.283 -0.656) 3.828 4.978 ( 3.805 -0.978 2.965) 4.922 5.501 ( 2.183 -1.672 -7.058) 7.575 5.624 ( -7.093 0.174 7.390) 10.245 7.651 ( 7.083 1.540 -0.726) 7.285 7.677 ( 3.304 1.039 9.522) 10.133 9.599 ( -0.066 1.795 -5.687) 5.964 10.155 ( -5.489 -5.492 -14.473) 16.424 11.282 ( -1.425 -1.136 3.792) 4.207 11.419 ( 0.767 -1.070 8.882) 8.979 14.395 ( 2.512 7.576 6.103) 10.047 14.740 ( 2.710 7.607 6.697) 10.491 15.545 ( 7.948 -1.216 4.377) 9.154 16.881 ( 1.802 2.139 -4.511) 5.308 ======================= Grid point 535 (270/282) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 3.503 3.290 -1.304) 4.980 1.584 ( 3.301 0.536 1.080) 3.514 1.617 ( 5.315 -2.715 -6.266) 8.653 1.782 ( -4.283 1.314 4.865) 6.614 2.880 ( 1.193 -0.367 1.701) 2.110 3.339 ( -6.134 1.573 1.978) 6.634 3.580 ( -3.428 -0.681 -6.384) 7.278 3.998 ( -4.690 -5.016 6.177) 9.236 4.096 ( 5.996 2.598 -9.450) 11.489 4.408 ( -2.474 1.522 -8.699) 9.171 4.652 ( 4.382 4.556 9.259) 11.210 5.061 ( 2.300 -0.431 3.496) 4.207 5.498 ( 2.773 -2.293 -6.330) 7.281 5.603 ( -6.925 -0.488 7.768) 10.418 7.703 ( 5.935 4.035 1.126) 7.264 7.773 ( 3.003 3.279 8.116) 9.254 9.503 ( -2.004 1.319 -6.505) 6.933 10.036 ( -3.380 -6.906 -18.274) 19.826 11.369 ( 2.341 -3.214 7.825) 8.777 11.536 ( 0.845 -1.408 10.836) 10.960 14.376 ( 4.590 8.916 3.458) 10.607 14.725 ( 2.858 8.198 4.212) 9.650 15.667 ( 6.375 2.915 4.741) 8.463 16.752 ( -4.173 5.270 -10.099) 12.131 ======================= Grid point 536 (271/282) ======================= q-point: (-0.40 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 3.648 1.449 2.845) 4.848 1.610 ( 2.012 0.693 -0.842) 2.288 1.652 ( 3.573 -1.010 -4.679) 5.974 1.753 ( -3.384 1.578 3.584) 5.176 2.929 ( 2.746 -0.888 1.252) 3.146 3.237 ( -7.911 1.601 0.541) 8.089 3.511 ( -0.533 1.833 -1.651) 2.524 3.923 ( -6.061 3.701 -7.105) 10.046 4.109 ( 0.103 -2.746 3.072) 4.121 4.320 ( -1.148 -2.105 -7.156) 7.547 4.749 ( 7.132 4.300 8.267) 11.734 5.096 ( -0.388 0.654 1.663) 1.829 5.518 ( 3.881 -2.573 -6.035) 7.623 5.595 ( -6.723 -1.113 7.630) 10.231 7.715 ( 4.024 6.546 2.151) 7.979 7.801 ( 1.550 5.863 4.412) 7.500 9.440 ( -0.933 -1.151 -1.559) 2.151 9.909 ( -3.646 -5.748 -18.451) 19.666 11.541 ( 5.332 -5.094 6.549) 9.862 11.662 ( -0.086 -3.165 10.072) 10.558 14.355 ( 6.409 9.201 1.883) 11.371 14.671 ( 1.148 8.603 0.840) 8.720 15.720 ( 5.758 7.807 5.346) 11.076 16.475 ( -8.637 9.233 -12.268) 17.617 ======================= Grid point 537 (272/282) ======================= q-point: (-0.30 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 4.621 -0.278 6.553) 8.024 1.595 ( 0.320 0.775 -4.688) 4.763 1.656 ( 1.343 0.380 -1.576) 2.106 1.712 ( -2.898 2.231 1.431) 3.927 2.983 ( 2.914 -0.323 0.738) 3.023 3.120 ( -6.777 1.329 -0.790) 6.951 3.493 ( 2.756 4.145 2.508) 5.574 3.712 ( -6.263 5.670 -7.123) 11.050 4.186 ( -0.803 -4.133 5.368) 6.822 4.289 ( -0.746 -3.845 -6.003) 7.168 4.862 ( 7.182 2.956 6.282) 9.990 5.063 ( -3.042 1.459 -1.164) 3.569 5.552 ( 5.031 -2.297 -6.211) 8.317 5.591 ( -6.557 -1.418 7.080) 9.754 7.683 ( 2.924 7.897 1.581) 8.568 7.744 ( -0.880 7.463 1.229) 7.615 9.490 ( 1.429 -3.118 5.787) 6.727 9.768 ( -4.028 -4.234 -15.941) 16.978 11.727 ( 4.088 -6.127 5.227) 9.032 11.793 ( 0.630 -6.910 3.977) 7.998 14.339 ( 7.431 9.837 1.324) 12.399 14.538 ( -3.547 9.731 -1.632) 10.485 15.719 ( 7.636 12.452 4.786) 15.371 16.102 ( -11.710 12.995 -9.622) 19.965 ======================= Grid point 538 (273/282) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 0.607 1.449 -10.551) 10.667 1.510 ( -0.607 1.449 10.551) 10.667 1.660 ( 2.094 0.588 -2.702) 3.469 1.660 ( -2.094 0.588 2.702) 3.469 3.029 ( 2.188 0.692 -6.002) 6.426 3.029 ( -2.188 0.692 6.002) 6.426 3.513 ( -4.935 5.865 -4.758) 9.021 3.513 ( 4.935 5.865 4.758) 9.021 4.289 ( 1.183 -5.136 -7.116) 8.855 4.289 ( -1.183 -5.136 7.116) 8.855 4.961 ( -5.326 1.886 -4.529) 7.241 4.961 ( 5.326 1.886 4.529) 7.241 5.591 ( 5.927 -1.594 -6.923) 9.252 5.591 ( -5.927 -1.594 6.923) 9.252 7.627 ( 3.113 7.598 -5.022) 9.625 7.627 ( -3.113 7.598 5.022) 9.625 9.643 ( -3.084 -3.244 -11.977) 12.786 9.643 ( 3.084 -3.244 11.977) 12.786 11.896 ( 4.846 -8.728 -11.184) 14.991 11.896 ( -4.846 -8.728 11.184) 14.991 14.318 ( -5.505 10.454 -2.912) 12.169 14.318 ( 5.505 10.454 2.912) 12.169 15.706 ( 3.980 14.859 -16.246) 22.373 15.706 ( -3.980 14.859 16.246) 22.373 ======================= Grid point 544 (274/282) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 9.768 0.000 -7.356) 12.228 1.506 ( 1.197 0.000 4.116) 4.286 1.523 ( 4.772 0.000 -8.022) 9.335 1.828 ( -5.088 -0.000 6.232) 8.045 2.873 ( -2.074 -0.000 2.481) 3.234 3.397 ( -1.026 -0.000 3.065) 3.232 3.654 ( -0.456 -0.000 -14.343) 14.350 3.848 ( -2.266 -0.000 9.668) 9.930 4.115 ( 7.261 0.000 -7.510) 10.446 4.594 ( 5.592 0.000 8.403) 10.093 4.624 ( -5.287 -0.000 -7.562) 9.227 4.965 ( 4.187 0.000 2.980) 5.139 5.478 ( 1.856 0.000 -6.746) 6.997 5.626 ( -7.489 -0.000 7.175) 10.372 7.671 ( 7.643 0.000 -0.053) 7.643 7.691 ( 4.500 0.000 10.345) 11.281 9.629 ( 0.981 0.000 -5.112) 5.205 10.074 ( -6.970 -0.000 -16.088) 17.533 11.267 ( -2.106 -0.000 2.810) 3.512 11.405 ( 0.863 0.000 9.580) 9.619 14.511 ( 1.496 0.000 9.612) 9.728 14.839 ( 1.718 0.000 3.555) 3.948 15.525 ( 9.376 0.000 8.213) 12.464 16.909 ( 3.470 0.000 -4.536) 5.711 ======================= Grid point 545 (275/282) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 4.484 4.048 -4.403) 7.475 1.500 ( 0.248 -4.291 -3.647) 5.636 1.621 ( 8.815 0.532 -0.395) 8.840 1.809 ( -4.882 0.623 5.254) 7.199 2.881 ( 0.332 0.256 2.486) 2.521 3.368 ( -6.276 0.603 1.812) 6.560 3.557 ( 1.095 -0.686 -9.002) 9.095 3.902 ( -4.805 -2.096 9.392) 10.756 4.131 ( 7.877 0.436 -10.404) 13.056 4.456 ( -5.989 1.460 -10.007) 11.753 4.736 ( 5.987 1.770 8.490) 10.538 5.050 ( 3.461 -0.291 3.449) 4.894 5.456 ( 2.394 -0.918 -5.585) 6.146 5.594 ( -7.689 -0.188 7.406) 10.677 7.777 ( 7.892 1.617 2.701) 8.497 7.831 ( 4.073 1.193 9.898) 10.770 9.557 ( -1.607 2.278 -7.106) 7.634 9.871 ( -3.605 -4.799 -19.721) 20.614 11.314 ( 1.066 -1.116 7.487) 7.644 11.515 ( 0.932 -0.380 10.684) 10.731 14.576 ( 2.597 5.339 7.026) 9.198 14.862 ( 0.602 2.256 2.286) 3.268 15.714 ( 8.002 0.963 9.657) 12.578 16.843 ( -1.119 1.840 -10.749) 10.963 ======================= Grid point 546 (276/282) ======================= q-point: ( 0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 1.967 2.533 0.329) 3.224 1.528 ( 1.559 -4.199 -6.041) 7.521 1.699 ( 5.635 2.005 0.297) 5.988 1.788 ( -3.424 0.931 4.344) 5.609 2.920 ( 2.950 0.143 1.966) 3.548 3.273 ( -8.064 1.065 0.716) 8.166 3.531 ( 2.979 0.116 -4.066) 5.042 3.920 ( -8.639 -2.124 5.608) 10.516 4.117 ( 5.661 1.666 -8.572) 10.407 4.294 ( -3.825 -0.056 -7.998) 8.866 4.851 ( 6.219 3.254 7.253) 10.093 5.106 ( 1.146 0.181 1.850) 2.184 5.464 ( 3.665 -1.548 -5.104) 6.472 5.568 ( -7.415 -0.838 7.243) 10.400 7.859 ( 5.532 4.540 4.268) 8.333 7.926 ( 3.383 3.536 6.483) 8.123 9.443 ( -2.078 1.499 -4.665) 5.322 9.745 ( -2.207 -6.671 -18.542) 19.829 11.442 ( 4.044 -2.610 7.590) 8.988 11.614 ( -0.731 -0.993 9.126) 9.209 14.583 ( 4.560 7.894 4.128) 10.008 14.838 ( -0.738 4.011 1.047) 4.211 15.867 ( 6.800 3.945 10.616) 13.210 16.654 ( -4.242 4.740 -14.288) 15.640 ======================= Grid point 547 (277/282) ======================= q-point: ( 0.60 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 2.470 -0.007 4.272) 4.934 1.530 ( -0.145 -3.577 -6.991) 7.854 1.724 ( 2.724 2.893 0.851) 4.064 1.768 ( -1.971 1.771 2.185) 3.435 2.982 ( 4.617 0.310 1.243) 4.792 3.157 ( -7.720 1.460 -0.082) 7.857 3.559 ( 5.483 1.321 0.213) 5.643 3.808 ( -9.639 1.641 -2.895) 10.197 4.123 ( 2.560 -0.624 0.074) 2.636 4.220 ( -1.781 -1.750 -4.937) 5.532 4.944 ( 5.902 3.240 5.481) 8.681 5.099 ( -1.782 1.296 -0.558) 2.273 5.497 ( 5.162 -1.924 -5.426) 7.732 5.552 ( -7.029 -1.473 6.679) 9.808 7.875 ( 2.669 6.963 4.085) 8.503 7.927 ( 1.455 6.542 1.075) 6.788 9.423 ( 0.141 -1.904 3.300) 3.812 9.640 ( -2.626 -5.552 -15.620) 16.784 11.596 ( 5.421 -3.870 3.237) 7.405 11.681 ( -2.826 -2.542 6.422) 7.462 14.578 ( 6.439 8.517 2.588) 10.986 14.750 ( -3.275 6.437 -0.845) 7.272 15.975 ( 6.550 7.655 11.128) 15.012 16.374 ( -6.493 8.195 -14.285) 17.703 ======================= Grid point 548 (278/282) ======================= q-point: (-0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -0.627 -2.180 -8.747) 9.036 1.486 ( 0.627 -2.180 8.747) 9.036 1.721 ( -0.887 2.994 -1.150) 3.327 1.721 ( 0.887 2.994 1.150) 3.327 3.049 ( 0.635 0.951 -5.509) 5.627 3.049 ( -0.635 0.951 5.509) 5.627 3.633 ( -5.884 3.241 -4.802) 8.258 3.633 ( 5.884 3.241 4.802) 8.258 4.189 ( 1.745 -2.621 -6.917) 7.600 4.189 ( -1.745 -2.621 6.917) 7.600 5.017 ( -4.594 2.383 -3.512) 6.254 5.017 ( 4.594 2.383 3.512) 6.254 5.544 ( 6.336 -1.917 -6.354) 9.176 5.544 ( -6.336 -1.917 6.354) 9.176 7.829 ( 2.155 8.023 -5.058) 9.726 7.829 ( -2.155 8.023 5.058) 9.726 9.547 ( -2.210 -4.105 -11.454) 12.367 9.547 ( 2.210 -4.105 11.454) 12.367 11.721 ( 3.613 -4.992 -4.302) 7.515 11.721 ( -3.613 -4.992 4.302) 7.515 14.573 ( -4.681 9.144 -3.228) 10.768 14.573 ( 4.681 9.144 3.228) 10.768 16.043 ( -0.286 11.201 -16.995) 20.356 16.043 ( 0.286 11.201 16.995) 20.356 ======================= Grid point 556 (279/282) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -3.043 -0.000 1.264) 3.295 1.438 ( 5.714 0.000 -7.584) 9.495 1.726 ( 6.348 0.000 0.286) 6.354 1.799 ( -3.632 -0.000 4.278) 5.612 2.925 ( 2.815 0.000 2.412) 3.707 3.286 ( -7.607 -0.000 0.234) 7.611 3.531 ( 4.449 0.000 -5.172) 6.823 3.888 ( -8.372 -0.000 8.540) 11.959 4.138 ( 6.947 0.000 -10.087) 12.248 4.299 ( -5.638 -0.000 -8.799) 10.450 4.894 ( 6.165 0.000 6.511) 8.966 5.108 ( 1.874 0.000 1.970) 2.719 5.444 ( 3.398 0.000 -4.412) 5.568 5.557 ( -7.635 -0.000 6.974) 10.341 7.922 ( 7.545 0.000 3.908) 8.497 7.969 ( 2.725 0.000 9.053) 9.454 9.488 ( -3.526 -0.000 -4.621) 5.812 9.629 ( -0.488 -0.000 -20.163) 20.169 11.409 ( 3.578 0.000 8.219) 8.964 11.602 ( -0.544 -0.000 8.425) 8.443 14.698 ( 1.794 0.000 6.197) 6.451 14.879 ( -0.245 -0.000 -0.748) 0.787 15.918 ( 6.424 0.000 13.334) 14.801 16.713 ( -2.754 -0.000 -15.213) 15.460 ======================= Grid point 557 (280/282) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -0.543 0.919 2.605) 2.815 1.451 ( 1.773 -2.371 -5.930) 6.628 1.777 ( 2.791 1.216 -0.106) 3.046 1.795 ( -1.715 0.383 2.871) 3.366 2.994 ( 5.268 0.412 1.790) 5.579 3.185 ( -7.613 0.644 -0.198) 7.643 3.575 ( 7.583 0.173 -2.058) 7.859 3.817 ( -11.390 -0.224 3.031) 11.788 4.133 ( 4.994 0.668 -6.714) 8.395 4.191 ( -3.397 -0.666 -2.886) 4.507 5.006 ( 5.059 1.369 4.555) 6.944 5.123 ( -0.554 0.530 -0.179) 0.787 5.462 ( 4.782 -0.718 -4.448) 6.570 5.525 ( -7.060 -0.597 6.174) 9.398 8.013 ( 4.252 3.367 3.495) 6.452 8.045 ( 1.394 2.364 4.425) 5.207 9.408 ( -2.532 0.772 0.241) 2.658 9.509 ( 0.194 -4.145 -14.791) 15.362 11.534 ( 4.754 -1.165 5.202) 7.143 11.644 ( -2.558 -0.644 4.557) 5.265 14.742 ( 2.583 3.842 4.075) 6.167 14.849 ( -1.559 1.551 -1.736) 2.802 16.104 ( 5.334 2.540 15.064) 16.181 16.510 ( -3.961 2.661 -16.791) 17.456 ======================= Grid point 558 (281/282) ======================= q-point: (-0.40 -0.60 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 1.388 -1.560 -6.971) 7.277 1.435 ( -1.388 -1.560 6.971) 7.277 1.781 ( 0.988 1.589 -1.337) 2.300 1.781 ( -0.988 1.589 1.337) 2.300 3.075 ( -4.012 1.008 -2.698) 4.939 3.075 ( 4.012 1.008 2.698) 4.939 3.678 ( -7.875 0.709 -1.891) 8.130 3.678 ( 7.875 0.709 1.891) 8.130 4.152 ( 2.818 -0.604 -5.364) 6.089 4.152 ( -2.818 -0.604 5.364) 6.089 5.072 ( -3.359 1.753 -2.711) 4.659 5.072 ( 3.359 1.753 2.711) 4.659 5.502 ( 6.256 -1.259 -5.548) 8.456 5.502 ( -6.256 -1.259 5.548) 8.456 8.009 ( 1.653 5.687 -4.092) 7.199 8.009 ( -1.653 5.687 4.092) 7.199 9.450 ( 1.127 -3.199 -10.377) 10.917 9.450 ( -1.127 -3.199 10.377) 10.917 11.636 ( -4.268 -1.967 0.361) 4.713 11.636 ( 4.268 -1.967 -0.361) 4.713 14.756 ( -2.630 5.011 -3.377) 6.591 14.756 ( 2.630 5.011 3.377) 6.591 16.255 ( -3.214 5.523 -17.060) 18.217 16.255 ( 3.214 5.523 17.060) 18.217 ======================= Grid point 569 (282/282) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 2.571 0.000 -5.592) 6.155 1.415 ( -2.571 -0.000 5.592) 6.155 1.800 ( 1.400 0.000 -1.938) 2.391 1.800 ( -1.400 -0.000 1.938) 2.391 3.090 ( -6.970 -0.000 -1.103) 7.057 3.090 ( 6.970 0.000 1.103) 7.057 3.685 ( -11.030 -0.000 1.112) 11.086 3.685 ( 11.030 0.000 -1.112) 11.086 4.146 ( 4.527 0.000 -4.464) 6.358 4.146 ( -4.527 -0.000 4.464) 6.358 5.095 ( -2.891 -0.000 -2.236) 3.655 5.095 ( 2.891 0.000 2.236) 3.655 5.486 ( 5.948 0.000 -4.928) 7.725 5.486 ( -5.948 -0.000 4.928) 7.725 8.086 ( 2.128 0.000 -1.673) 2.707 8.086 ( -2.128 -0.000 1.673) 2.707 9.406 ( 3.947 0.000 -8.954) 9.785 9.406 ( -3.947 -0.000 8.954) 9.785 11.613 ( -4.105 -0.000 -0.789) 4.181 11.613 ( 4.105 0.000 0.789) 4.181 14.820 ( -1.171 -0.000 -3.466) 3.658 14.820 ( 1.171 0.000 3.466) 3.658 16.324 ( -4.221 -0.000 -17.080) 17.594 16.324 ( 4.221 0.000 17.080) 17.594 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/24000 10.0 207.298 165.100 383.972 -0.000 -35.766 0.000 3/24000 20.0 108.819 59.537 206.023 -0.000 -33.022 0.000 3/24000 30.0 54.048 28.188 102.618 -0.000 -14.065 0.000 3/24000 40.0 29.398 15.359 56.254 -0.000 -6.884 0.000 3/24000 50.0 18.479 9.723 35.482 -0.000 -4.133 0.000 3/24000 60.0 13.023 6.891 24.987 -0.000 -2.843 0.000 3/24000 70.0 9.932 5.277 18.996 -0.000 -2.130 0.000 3/24000 80.0 7.998 4.262 15.230 -0.000 -1.688 0.000 3/24000 90.0 6.695 3.575 12.683 -0.000 -1.393 0.000 3/24000 100.0 5.767 3.084 10.863 -0.000 -1.184 0.000 3/24000 110.0 5.078 2.719 9.506 -0.000 -1.030 0.000 3/24000 120.0 4.548 2.439 8.459 -0.000 -0.912 0.000 3/24000 130.0 4.130 2.218 7.629 -0.000 -0.819 0.000 3/24000 140.0 3.792 2.040 6.955 -0.000 -0.745 0.000 3/24000 150.0 3.512 1.893 6.398 -0.000 -0.684 0.000 3/24000 160.0 3.278 1.770 5.929 -0.000 -0.632 0.000 3/24000 170.0 3.077 1.665 5.529 -0.000 -0.589 0.000 3/24000 180.0 2.904 1.574 5.183 -0.000 -0.551 0.000 3/24000 190.0 2.752 1.495 4.881 -0.000 -0.518 0.000 3/24000 200.0 2.618 1.424 4.615 -0.000 -0.489 0.000 3/24000 210.0 2.497 1.362 4.378 -0.000 -0.464 0.000 3/24000 220.0 2.389 1.305 4.166 -0.000 -0.441 0.000 3/24000 230.0 2.291 1.254 3.975 -0.000 -0.420 0.000 3/24000 240.0 2.202 1.207 3.801 -0.000 -0.401 0.000 3/24000 250.0 2.119 1.164 3.643 -0.000 -0.384 0.000 3/24000 260.0 2.044 1.124 3.498 -0.000 -0.368 0.000 3/24000 270.0 1.973 1.087 3.365 -0.000 -0.354 0.000 3/24000 280.0 1.908 1.053 3.242 -0.000 -0.341 0.000 3/24000 290.0 1.847 1.020 3.128 -0.000 -0.328 0.000 3/24000 300.0 1.790 0.990 3.022 -0.000 -0.317 0.000 3/24000 310.0 1.737 0.962 2.923 -0.000 -0.306 0.000 3/24000 320.0 1.686 0.935 2.831 -0.000 -0.296 0.000 3/24000 330.0 1.639 0.910 2.745 -0.000 -0.287 0.000 3/24000 340.0 1.594 0.886 2.663 -0.000 -0.278 0.000 3/24000 350.0 1.552 0.863 2.587 -0.000 -0.270 0.000 3/24000 360.0 1.512 0.841 2.515 -0.000 -0.263 0.000 3/24000 370.0 1.474 0.821 2.447 -0.000 -0.255 0.000 3/24000 380.0 1.438 0.801 2.382 -0.000 -0.248 0.000 3/24000 390.0 1.403 0.783 2.321 -0.000 -0.242 0.000 3/24000 400.0 1.370 0.765 2.263 -0.000 -0.236 0.000 3/24000 410.0 1.339 0.748 2.208 -0.000 -0.230 0.000 3/24000 420.0 1.309 0.732 2.155 -0.000 -0.224 0.000 3/24000 430.0 1.280 0.716 2.105 -0.000 -0.219 0.000 3/24000 440.0 1.253 0.701 2.057 -0.000 -0.214 0.000 3/24000 450.0 1.226 0.687 2.012 -0.000 -0.209 0.000 3/24000 460.0 1.201 0.673 1.968 -0.000 -0.204 0.000 3/24000 470.0 1.177 0.660 1.927 -0.000 -0.200 0.000 3/24000 480.0 1.154 0.647 1.887 -0.000 -0.196 0.000 3/24000 490.0 1.131 0.635 1.848 -0.000 -0.192 0.000 3/24000 500.0 1.110 0.623 1.811 -0.000 -0.188 0.000 3/24000 510.0 1.089 0.611 1.776 -0.000 -0.184 0.000 3/24000 520.0 1.069 0.600 1.742 -0.000 -0.180 0.000 3/24000 530.0 1.050 0.590 1.709 -0.000 -0.177 0.000 3/24000 540.0 1.031 0.579 1.678 -0.000 -0.174 0.000 3/24000 550.0 1.013 0.570 1.647 -0.000 -0.170 0.000 3/24000 560.0 0.996 0.560 1.618 -0.000 -0.167 0.000 3/24000 570.0 0.979 0.551 1.590 -0.000 -0.164 0.000 3/24000 580.0 0.963 0.542 1.562 -0.000 -0.162 0.000 3/24000 590.0 0.947 0.533 1.536 -0.000 -0.159 0.000 3/24000 600.0 0.932 0.525 1.511 -0.000 -0.156 0.000 3/24000 610.0 0.917 0.516 1.486 -0.000 -0.154 0.000 3/24000 620.0 0.903 0.509 1.462 -0.000 -0.151 0.000 3/24000 630.0 0.889 0.501 1.439 -0.000 -0.149 0.000 3/24000 640.0 0.876 0.493 1.417 -0.000 -0.146 0.000 3/24000 650.0 0.863 0.486 1.395 -0.000 -0.144 0.000 3/24000 660.0 0.850 0.479 1.374 -0.000 -0.142 0.000 3/24000 670.0 0.838 0.472 1.353 -0.000 -0.140 0.000 3/24000 680.0 0.826 0.466 1.334 -0.000 -0.138 0.000 3/24000 690.0 0.814 0.459 1.314 -0.000 -0.136 0.000 3/24000 700.0 0.803 0.453 1.296 -0.000 -0.134 0.000 3/24000 710.0 0.792 0.447 1.277 -0.000 -0.132 0.000 3/24000 720.0 0.781 0.441 1.260 -0.000 -0.130 0.000 3/24000 730.0 0.771 0.435 1.243 -0.000 -0.128 0.000 3/24000 740.0 0.761 0.429 1.226 -0.000 -0.126 0.000 3/24000 750.0 0.751 0.424 1.210 -0.000 -0.125 0.000 3/24000 760.0 0.741 0.418 1.194 -0.000 -0.123 0.000 3/24000 770.0 0.732 0.413 1.178 -0.000 -0.121 0.000 3/24000 780.0 0.723 0.408 1.163 -0.000 -0.120 0.000 3/24000 790.0 0.714 0.403 1.149 -0.000 -0.118 0.000 3/24000 800.0 0.705 0.398 1.134 -0.000 -0.117 0.000 3/24000 810.0 0.696 0.393 1.120 -0.000 -0.115 0.000 3/24000 820.0 0.688 0.389 1.107 -0.000 -0.114 0.000 3/24000 830.0 0.680 0.384 1.093 -0.000 -0.113 0.000 3/24000 840.0 0.672 0.380 1.080 -0.000 -0.111 0.000 3/24000 850.0 0.664 0.375 1.068 -0.000 -0.110 0.000 3/24000 860.0 0.657 0.371 1.055 -0.000 -0.109 0.000 3/24000 870.0 0.649 0.367 1.043 -0.000 -0.107 0.000 3/24000 880.0 0.642 0.363 1.031 -0.000 -0.106 0.000 3/24000 890.0 0.635 0.359 1.020 -0.000 -0.105 0.000 3/24000 900.0 0.628 0.355 1.009 -0.000 -0.104 0.000 3/24000 910.0 0.621 0.351 0.998 -0.000 -0.103 0.000 3/24000 920.0 0.615 0.348 0.987 -0.000 -0.102 0.000 3/24000 930.0 0.608 0.344 0.976 -0.000 -0.100 0.000 3/24000 940.0 0.602 0.340 0.966 -0.000 -0.099 0.000 3/24000 950.0 0.596 0.337 0.956 -0.000 -0.098 0.000 3/24000 960.0 0.590 0.333 0.946 -0.000 -0.097 0.000 3/24000 970.0 0.584 0.330 0.936 -0.000 -0.096 0.000 3/24000 980.0 0.578 0.327 0.926 -0.000 -0.095 0.000 3/24000 990.0 0.572 0.324 0.917 -0.000 -0.094 0.000 3/24000 1000.0 0.566 0.320 0.908 -0.000 -0.093 0.000 3/24000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:50:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|