----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:46:03]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.502493593908282 1.444815350088257 4.485963823333329 b -2.502493593908276 1.444815350088257 4.485963823333329 c 0.000000000000003 -2.889630700176519 4.485963823333329 Atomic positions (fractional): *1 O 0.05281983255959 0.75000000000000 0.44718016744041 15.999 2 O 0.75000000000000 0.44718016744041 0.05281983255959 15.999 3 O 0.44718016744041 0.05281983255959 0.75000000000000 15.999 4 O 0.94718016744041 0.25000000000000 0.55281983255959 15.999 5 O 0.55281983255959 0.94718016744041 0.25000000000000 15.999 6 O 0.25000000000000 0.55281983255959 0.94718016744041 15.999 *7 Ga 0.85590673201812 0.85590673201812 0.85590673201812 69.723 8 Ga 0.64409326798188 0.64409326798188 0.64409326798188 69.723 9 Ga 0.14409326798188 0.14409326798188 0.14409326798188 69.723 10 Ga 0.35590673201812 0.35590673201812 0.35590673201812 69.723 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.004987187816558 0.000000000000000 0.000000000000000 b -2.502493593908279 4.334446050264776 0.000000000000000 c 0.000000000000000 0.000000000000000 13.457891470000000 Atomic positions (fractional): *1 O 0.30281983255959 0.30281983255959 0.75000000000000 15.999 > 1 2 O 0.00000000000000 0.69718016744041 0.75000000000000 15.999 > 2 3 O 0.69718016744041 0.00000000000000 0.75000000000000 15.999 > 3 4 O 0.03051350077374 0.36384683410708 0.91666666666667 15.999 > 4 5 O 0.63615316589292 0.66666666666667 0.91666666666667 15.999 > 5 6 O 0.33333333333333 0.96948649922626 0.91666666666667 15.999 > 6 7 O 0.96948649922626 0.63615316589292 0.08333333333333 15.999 > 1 8 O 0.66666666666667 0.03051350077374 0.08333333333333 15.999 > 2 9 O 0.36384683410708 0.33333333333333 0.08333333333333 15.999 > 3 10 O 0.69718016744041 0.69718016744041 0.25000000000000 15.999 > 4 11 O 0.30281983255959 0.00000000000000 0.25000000000000 15.999 > 5 12 O 0.00000000000000 0.30281983255959 0.25000000000000 15.999 > 6 13 O 0.63615316589292 0.96948649922626 0.41666666666667 15.999 > 1 14 O 0.33333333333333 0.36384683410708 0.41666666666667 15.999 > 2 15 O 0.03051350077374 0.66666666666667 0.41666666666667 15.999 > 3 16 O 0.36384683410708 0.03051350077374 0.58333333333333 15.999 > 4 17 O 0.96948649922626 0.33333333333333 0.58333333333333 15.999 > 5 18 O 0.66666666666667 0.63615316589292 0.58333333333333 15.999 > 6 *19 Ga 0.00000000000000 0.00000000000000 0.85590673201812 69.723 > 7 20 Ga 0.66666666666667 0.33333333333333 0.97742660131521 69.723 > 8 21 Ga 0.33333333333333 0.66666666666667 0.81075993464855 69.723 > 9 22 Ga 0.66666666666667 0.33333333333333 0.68924006535145 69.723 > 10 23 Ga 0.66666666666667 0.33333333333333 0.18924006535145 69.723 > 7 24 Ga 0.33333333333333 0.66666666666667 0.31075993464855 69.723 > 8 25 Ga 0.00000000000000 0.00000000000000 0.14409326798188 69.723 > 9 26 Ga 0.33333333333333 0.66666666666667 0.02257339868479 69.723 > 10 27 Ga 0.33333333333333 0.66666666666667 0.52257339868479 69.723 > 7 28 Ga 0.00000000000000 0.00000000000000 0.64409326798188 69.723 > 8 29 Ga 0.66666666666667 0.33333333333333 0.47742660131521 69.723 > 9 30 Ga 0.00000000000000 0.00000000000000 0.35590673201812 69.723 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.009974375633115 0.000000000000000 0.000000000000000 b -5.004987187816558 8.668892100529552 0.000000000000000 c 0.000000000000000 0.000000000000000 13.457891470000000 Atomic positions (fractional): *1 O 0.15140991627979 0.15140991627979 0.75000000000000 15.999 > 1 2 O 0.65140991627980 0.15140991627979 0.75000000000000 15.999 > 1 3 O 0.15140991627979 0.65140991627980 0.75000000000000 15.999 > 1 4 O 0.65140991627980 0.65140991627980 0.75000000000000 15.999 > 1 5 O 0.00000000000000 0.34859008372021 0.75000000000000 15.999 > 2 6 O 0.50000000000000 0.34859008372021 0.75000000000000 15.999 > 2 7 O 0.00000000000000 0.84859008372020 0.75000000000000 15.999 > 2 8 O 0.50000000000000 0.84859008372020 0.75000000000000 15.999 > 2 9 O 0.34859008372021 0.00000000000000 0.75000000000000 15.999 > 3 10 O 0.84859008372020 0.00000000000000 0.75000000000000 15.999 > 3 11 O 0.34859008372021 0.50000000000000 0.75000000000000 15.999 > 3 12 O 0.84859008372020 0.50000000000000 0.75000000000000 15.999 > 3 13 O 0.01525675038687 0.18192341705354 0.91666666666667 15.999 > 4 14 O 0.51525675038687 0.18192341705354 0.91666666666667 15.999 > 4 15 O 0.01525675038687 0.68192341705354 0.91666666666667 15.999 > 4 16 O 0.51525675038687 0.68192341705354 0.91666666666667 15.999 > 4 17 O 0.31807658294646 0.33333333333333 0.91666666666667 15.999 > 5 18 O 0.81807658294646 0.33333333333333 0.91666666666667 15.999 > 5 19 O 0.31807658294646 0.83333333333333 0.91666666666667 15.999 > 5 20 O 0.81807658294646 0.83333333333333 0.91666666666667 15.999 > 5 21 O 0.16666666666667 0.48474324961313 0.91666666666667 15.999 > 6 22 O 0.66666666666667 0.48474324961313 0.91666666666667 15.999 > 6 23 O 0.16666666666667 0.98474324961313 0.91666666666667 15.999 > 6 24 O 0.66666666666667 0.98474324961313 0.91666666666667 15.999 > 6 25 O 0.48474324961313 0.31807658294646 0.08333333333333 15.999 > 1 26 O 0.98474324961313 0.31807658294646 0.08333333333333 15.999 > 1 27 O 0.48474324961313 0.81807658294646 0.08333333333333 15.999 > 1 28 O 0.98474324961313 0.81807658294646 0.08333333333333 15.999 > 1 29 O 0.33333333333333 0.01525675038687 0.08333333333333 15.999 > 2 30 O 0.83333333333333 0.01525675038687 0.08333333333333 15.999 > 2 31 O 0.33333333333333 0.51525675038687 0.08333333333333 15.999 > 2 32 O 0.83333333333333 0.51525675038687 0.08333333333333 15.999 > 2 33 O 0.18192341705354 0.16666666666667 0.08333333333333 15.999 > 3 34 O 0.68192341705354 0.16666666666667 0.08333333333333 15.999 > 3 35 O 0.18192341705354 0.66666666666667 0.08333333333333 15.999 > 3 36 O 0.68192341705354 0.66666666666667 0.08333333333333 15.999 > 3 37 O 0.34859008372021 0.34859008372021 0.25000000000000 15.999 > 4 38 O 0.84859008372020 0.34859008372021 0.25000000000000 15.999 > 4 39 O 0.34859008372021 0.84859008372020 0.25000000000000 15.999 > 4 40 O 0.84859008372020 0.84859008372020 0.25000000000000 15.999 > 4 41 O 0.15140991627979 0.00000000000000 0.25000000000000 15.999 > 5 42 O 0.65140991627980 0.00000000000000 0.25000000000000 15.999 > 5 43 O 0.15140991627979 0.50000000000000 0.25000000000000 15.999 > 5 44 O 0.65140991627980 0.50000000000000 0.25000000000000 15.999 > 5 45 O 0.00000000000000 0.15140991627979 0.25000000000000 15.999 > 6 46 O 0.50000000000000 0.15140991627979 0.25000000000000 15.999 > 6 47 O 0.00000000000000 0.65140991627980 0.25000000000000 15.999 > 6 48 O 0.50000000000000 0.65140991627980 0.25000000000000 15.999 > 6 49 O 0.31807658294646 0.48474324961313 0.41666666666667 15.999 > 1 50 O 0.81807658294646 0.48474324961313 0.41666666666667 15.999 > 1 51 O 0.31807658294646 0.98474324961313 0.41666666666667 15.999 > 1 52 O 0.81807658294646 0.98474324961313 0.41666666666667 15.999 > 1 53 O 0.16666666666667 0.18192341705354 0.41666666666667 15.999 > 2 54 O 0.66666666666667 0.18192341705354 0.41666666666667 15.999 > 2 55 O 0.16666666666667 0.68192341705354 0.41666666666667 15.999 > 2 56 O 0.66666666666667 0.68192341705354 0.41666666666667 15.999 > 2 57 O 0.01525675038687 0.33333333333333 0.41666666666667 15.999 > 3 58 O 0.51525675038687 0.33333333333333 0.41666666666667 15.999 > 3 59 O 0.01525675038687 0.83333333333333 0.41666666666667 15.999 > 3 60 O 0.51525675038687 0.83333333333333 0.41666666666667 15.999 > 3 61 O 0.18192341705354 0.01525675038687 0.58333333333333 15.999 > 4 62 O 0.68192341705354 0.01525675038687 0.58333333333333 15.999 > 4 63 O 0.18192341705354 0.51525675038687 0.58333333333333 15.999 > 4 64 O 0.68192341705354 0.51525675038687 0.58333333333333 15.999 > 4 65 O 0.48474324961313 0.16666666666667 0.58333333333333 15.999 > 5 66 O 0.98474324961313 0.16666666666667 0.58333333333333 15.999 > 5 67 O 0.48474324961313 0.66666666666667 0.58333333333333 15.999 > 5 68 O 0.98474324961313 0.66666666666667 0.58333333333333 15.999 > 5 69 O 0.33333333333333 0.31807658294646 0.58333333333333 15.999 > 6 70 O 0.83333333333333 0.31807658294646 0.58333333333333 15.999 > 6 71 O 0.33333333333333 0.81807658294646 0.58333333333333 15.999 > 6 72 O 0.83333333333333 0.81807658294646 0.58333333333333 15.999 > 6 *73 Ga 0.00000000000000 0.00000000000000 0.85590673201812 69.723 > 7 74 Ga 0.50000000000000 0.00000000000000 0.85590673201812 69.723 > 7 75 Ga 0.00000000000000 0.50000000000000 0.85590673201812 69.723 > 7 76 Ga 0.50000000000000 0.50000000000000 0.85590673201812 69.723 > 7 77 Ga 0.33333333333333 0.16666666666667 0.97742660131521 69.723 > 8 78 Ga 0.83333333333333 0.16666666666667 0.97742660131521 69.723 > 8 79 Ga 0.33333333333333 0.66666666666667 0.97742660131521 69.723 > 8 80 Ga 0.83333333333333 0.66666666666667 0.97742660131521 69.723 > 8 81 Ga 0.16666666666667 0.33333333333333 0.81075993464855 69.723 > 9 82 Ga 0.66666666666667 0.33333333333333 0.81075993464855 69.723 > 9 83 Ga 0.16666666666667 0.83333333333333 0.81075993464855 69.723 > 9 84 Ga 0.66666666666667 0.83333333333333 0.81075993464855 69.723 > 9 85 Ga 0.33333333333333 0.16666666666667 0.68924006535145 69.723 > 10 86 Ga 0.83333333333333 0.16666666666667 0.68924006535145 69.723 > 10 87 Ga 0.33333333333333 0.66666666666667 0.68924006535145 69.723 > 10 88 Ga 0.83333333333333 0.66666666666667 0.68924006535145 69.723 > 10 89 Ga 0.33333333333333 0.16666666666667 0.18924006535145 69.723 > 7 90 Ga 0.83333333333333 0.16666666666667 0.18924006535145 69.723 > 7 91 Ga 0.33333333333333 0.66666666666667 0.18924006535145 69.723 > 7 92 Ga 0.83333333333333 0.66666666666667 0.18924006535145 69.723 > 7 93 Ga 0.16666666666667 0.33333333333333 0.31075993464855 69.723 > 8 94 Ga 0.66666666666667 0.33333333333333 0.31075993464855 69.723 > 8 95 Ga 0.16666666666667 0.83333333333333 0.31075993464855 69.723 > 8 96 Ga 0.66666666666667 0.83333333333333 0.31075993464855 69.723 > 8 97 Ga 0.00000000000000 0.00000000000000 0.14409326798188 69.723 > 9 98 Ga 0.50000000000000 0.00000000000000 0.14409326798188 69.723 > 9 99 Ga 0.00000000000000 0.50000000000000 0.14409326798188 69.723 > 9 100 Ga 0.50000000000000 0.50000000000000 0.14409326798188 69.723 > 9 101 Ga 0.16666666666667 0.33333333333333 0.02257339868479 69.723 > 10 102 Ga 0.66666666666667 0.33333333333333 0.02257339868479 69.723 > 10 103 Ga 0.16666666666667 0.83333333333333 0.02257339868479 69.723 > 10 104 Ga 0.66666666666667 0.83333333333333 0.02257339868479 69.723 > 10 105 Ga 0.16666666666667 0.33333333333333 0.52257339868479 69.723 > 7 106 Ga 0.66666666666667 0.33333333333333 0.52257339868479 69.723 > 7 107 Ga 0.16666666666667 0.83333333333333 0.52257339868479 69.723 > 7 108 Ga 0.66666666666667 0.83333333333333 0.52257339868479 69.723 > 7 109 Ga 0.00000000000000 0.00000000000000 0.64409326798188 69.723 > 8 110 Ga 0.50000000000000 0.00000000000000 0.64409326798188 69.723 > 8 111 Ga 0.00000000000000 0.50000000000000 0.64409326798188 69.723 > 8 112 Ga 0.50000000000000 0.50000000000000 0.64409326798188 69.723 > 8 113 Ga 0.33333333333333 0.16666666666667 0.47742660131521 69.723 > 9 114 Ga 0.83333333333333 0.16666666666667 0.47742660131521 69.723 > 9 115 Ga 0.33333333333333 0.66666666666667 0.47742660131521 69.723 > 9 116 Ga 0.83333333333333 0.66666666666667 0.47742660131521 69.723 > 9 117 Ga 0.00000000000000 0.00000000000000 0.35590673201812 69.723 > 10 118 Ga 0.50000000000000 0.00000000000000 0.35590673201812 69.723 > 10 119 Ga 0.00000000000000 0.50000000000000 0.35590673201812 69.723 > 10 120 Ga 0.50000000000000 0.50000000000000 0.35590673201812 69.723 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4194378 0.0000000 0.0000000 0.0000000 4.4194378 0.0000000 0.0000000 0.0000000 4.2843430 -------------------------- Born effective charges -------------------------- 1 O -2.1414732 -0.0939521 0.3179532 -0.0939521 -2.2499597 -0.1835703 0.4602670 -0.2657353 -2.1547648 2 O -2.1414732 0.0939521 -0.3179532 0.0939521 -2.2499597 -0.1835703 -0.4602670 -0.2657353 -2.1547648 3 O -2.3042030 -0.0000000 -0.0000000 -0.0000000 -2.0872299 0.3671407 0.0000000 0.5314705 -2.1547648 4 O -2.1414732 -0.0939521 0.3179532 -0.0939521 -2.2499597 -0.1835703 0.4602670 -0.2657353 -2.1547648 5 O -2.3042030 -0.0000000 -0.0000000 -0.0000000 -2.0872299 0.3671407 0.0000000 0.5314705 -2.1547648 6 O -2.1414732 0.0939521 -0.3179532 0.0939521 -2.2499597 -0.1835703 -0.4602670 -0.2657353 -2.1547648 7 Ga 3.2935747 0.0472447 0.0000000 -0.0472447 3.2935747 -0.0000000 0.0000000 0.0000000 3.2321471 8 Ga 3.2935747 -0.0472447 0.0000000 0.0472447 3.2935747 -0.0000000 0.0000000 0.0000000 3.2321471 9 Ga 3.2935747 0.0472447 0.0000000 -0.0472447 3.2935747 -0.0000000 0.0000000 0.0000000 3.2321471 10 Ga 3.2935747 -0.0472447 0.0000000 0.0472447 3.2935747 -0.0000000 0.0000000 0.0000000 3.2321471 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 7392/7392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 501 Number of blocks in projector: 251 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 73 Use standard eigh solver. Tree of FC basis block matrices: - (501, 493), data: False |-- (73, 71), data: True |-- (192, 190), data: True |-- (236, 232), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.021 Solver_block: 100 / 160 - Time: 0.380 Solver_block: 160 / 160 - Time: 0.263 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.668 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 7392/7392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 501 Number of blocks in projector: 251 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 73 Use standard eigh solver. Tree of FC basis block matrices: - (501, 493), data: False |-- (73, 71), data: True |-- (192, 190), data: True |-- (236, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 18:46:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:46:13]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.502493593908282 1.444815350088257 4.485963823333329 b -2.502493593908276 1.444815350088257 4.485963823333329 c 0.000000000000003 -2.889630700176519 4.485963823333329 Atomic positions (fractional): 1 O 0.05281983255959 0.75000000000000 0.44718016744041 15.999 2 O 0.75000000000000 0.44718016744041 0.05281983255959 15.999 3 O 0.44718016744041 0.05281983255959 0.75000000000000 15.999 4 O 0.94718016744041 0.25000000000000 0.55281983255959 15.999 5 O 0.55281983255959 0.94718016744041 0.25000000000000 15.999 6 O 0.25000000000000 0.55281983255959 0.94718016744041 15.999 7 Ga 0.85590673201812 0.85590673201812 0.85590673201812 69.723 8 Ga 0.64409326798188 0.64409326798188 0.64409326798188 69.723 9 Ga 0.14409326798188 0.14409326798188 0.14409326798188 69.723 10 Ga 0.35590673201812 0.35590673201812 0.35590673201812 69.723 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.009974375633115 0.000000000000000 0.000000000000000 b -5.004987187816558 8.668892100529552 0.000000000000000 c 0.000000000000000 0.000000000000000 13.457891470000000 Atomic positions (fractional): 1 O 0.15140991627979 0.15140991627979 0.75000000000000 15.999 > 1 2 O 0.65140991627980 0.15140991627979 0.75000000000000 15.999 > 1 3 O 0.15140991627979 0.65140991627980 0.75000000000000 15.999 > 1 4 O 0.65140991627980 0.65140991627980 0.75000000000000 15.999 > 1 5 O 0.00000000000000 0.34859008372021 0.75000000000000 15.999 > 5 6 O 0.50000000000000 0.34859008372021 0.75000000000000 15.999 > 5 7 O 0.00000000000000 0.84859008372020 0.75000000000000 15.999 > 5 8 O 0.50000000000000 0.84859008372020 0.75000000000000 15.999 > 5 9 O 0.34859008372021 0.00000000000000 0.75000000000000 15.999 > 9 10 O 0.84859008372020 0.00000000000000 0.75000000000000 15.999 > 9 11 O 0.34859008372021 0.50000000000000 0.75000000000000 15.999 > 9 12 O 0.84859008372020 0.50000000000000 0.75000000000000 15.999 > 9 13 O 0.01525675038687 0.18192341705354 0.91666666666667 15.999 > 13 14 O 0.51525675038687 0.18192341705354 0.91666666666667 15.999 > 13 15 O 0.01525675038687 0.68192341705354 0.91666666666667 15.999 > 13 16 O 0.51525675038687 0.68192341705354 0.91666666666667 15.999 > 13 17 O 0.31807658294646 0.33333333333333 0.91666666666667 15.999 > 17 18 O 0.81807658294646 0.33333333333333 0.91666666666667 15.999 > 17 19 O 0.31807658294646 0.83333333333333 0.91666666666667 15.999 > 17 20 O 0.81807658294646 0.83333333333333 0.91666666666667 15.999 > 17 21 O 0.16666666666667 0.48474324961313 0.91666666666667 15.999 > 21 22 O 0.66666666666667 0.48474324961313 0.91666666666667 15.999 > 21 23 O 0.16666666666667 0.98474324961313 0.91666666666667 15.999 > 21 24 O 0.66666666666667 0.98474324961313 0.91666666666667 15.999 > 21 25 O 0.48474324961313 0.31807658294646 0.08333333333333 15.999 > 1 26 O 0.98474324961313 0.31807658294646 0.08333333333333 15.999 > 1 27 O 0.48474324961313 0.81807658294646 0.08333333333333 15.999 > 1 28 O 0.98474324961313 0.81807658294646 0.08333333333333 15.999 > 1 29 O 0.33333333333333 0.01525675038687 0.08333333333333 15.999 > 5 30 O 0.83333333333333 0.01525675038687 0.08333333333333 15.999 > 5 31 O 0.33333333333333 0.51525675038687 0.08333333333333 15.999 > 5 32 O 0.83333333333333 0.51525675038687 0.08333333333333 15.999 > 5 33 O 0.18192341705354 0.16666666666667 0.08333333333333 15.999 > 9 34 O 0.68192341705354 0.16666666666667 0.08333333333333 15.999 > 9 35 O 0.18192341705354 0.66666666666667 0.08333333333333 15.999 > 9 36 O 0.68192341705354 0.66666666666667 0.08333333333333 15.999 > 9 37 O 0.34859008372021 0.34859008372021 0.25000000000000 15.999 > 13 38 O 0.84859008372020 0.34859008372021 0.25000000000000 15.999 > 13 39 O 0.34859008372021 0.84859008372020 0.25000000000000 15.999 > 13 40 O 0.84859008372020 0.84859008372020 0.25000000000000 15.999 > 13 41 O 0.15140991627979 0.00000000000000 0.25000000000000 15.999 > 17 42 O 0.65140991627980 0.00000000000000 0.25000000000000 15.999 > 17 43 O 0.15140991627979 0.50000000000000 0.25000000000000 15.999 > 17 44 O 0.65140991627980 0.50000000000000 0.25000000000000 15.999 > 17 45 O 0.00000000000000 0.15140991627979 0.25000000000000 15.999 > 21 46 O 0.50000000000000 0.15140991627979 0.25000000000000 15.999 > 21 47 O 0.00000000000000 0.65140991627980 0.25000000000000 15.999 > 21 48 O 0.50000000000000 0.65140991627980 0.25000000000000 15.999 > 21 49 O 0.31807658294646 0.48474324961313 0.41666666666667 15.999 > 1 50 O 0.81807658294646 0.48474324961313 0.41666666666667 15.999 > 1 51 O 0.31807658294646 0.98474324961313 0.41666666666667 15.999 > 1 52 O 0.81807658294646 0.98474324961313 0.41666666666667 15.999 > 1 53 O 0.16666666666667 0.18192341705354 0.41666666666667 15.999 > 5 54 O 0.66666666666667 0.18192341705354 0.41666666666667 15.999 > 5 55 O 0.16666666666667 0.68192341705354 0.41666666666667 15.999 > 5 56 O 0.66666666666667 0.68192341705354 0.41666666666667 15.999 > 5 57 O 0.01525675038687 0.33333333333333 0.41666666666667 15.999 > 9 58 O 0.51525675038687 0.33333333333333 0.41666666666667 15.999 > 9 59 O 0.01525675038687 0.83333333333333 0.41666666666667 15.999 > 9 60 O 0.51525675038687 0.83333333333333 0.41666666666667 15.999 > 9 61 O 0.18192341705354 0.01525675038687 0.58333333333333 15.999 > 13 62 O 0.68192341705354 0.01525675038687 0.58333333333333 15.999 > 13 63 O 0.18192341705354 0.51525675038687 0.58333333333333 15.999 > 13 64 O 0.68192341705354 0.51525675038687 0.58333333333333 15.999 > 13 65 O 0.48474324961313 0.16666666666667 0.58333333333333 15.999 > 17 66 O 0.98474324961313 0.16666666666667 0.58333333333333 15.999 > 17 67 O 0.48474324961313 0.66666666666667 0.58333333333333 15.999 > 17 68 O 0.98474324961313 0.66666666666667 0.58333333333333 15.999 > 17 69 O 0.33333333333333 0.31807658294646 0.58333333333333 15.999 > 21 70 O 0.83333333333333 0.31807658294646 0.58333333333333 15.999 > 21 71 O 0.33333333333333 0.81807658294646 0.58333333333333 15.999 > 21 72 O 0.83333333333333 0.81807658294646 0.58333333333333 15.999 > 21 73 Ga 0.00000000000000 0.00000000000000 0.85590673201812 69.723 > 73 74 Ga 0.50000000000000 0.00000000000000 0.85590673201812 69.723 > 73 75 Ga 0.00000000000000 0.50000000000000 0.85590673201812 69.723 > 73 76 Ga 0.50000000000000 0.50000000000000 0.85590673201812 69.723 > 73 77 Ga 0.33333333333333 0.16666666666667 0.97742660131521 69.723 > 77 78 Ga 0.83333333333333 0.16666666666667 0.97742660131521 69.723 > 77 79 Ga 0.33333333333333 0.66666666666667 0.97742660131521 69.723 > 77 80 Ga 0.83333333333333 0.66666666666667 0.97742660131521 69.723 > 77 81 Ga 0.16666666666667 0.33333333333333 0.81075993464855 69.723 > 81 82 Ga 0.66666666666667 0.33333333333333 0.81075993464855 69.723 > 81 83 Ga 0.16666666666667 0.83333333333333 0.81075993464855 69.723 > 81 84 Ga 0.66666666666667 0.83333333333333 0.81075993464855 69.723 > 81 85 Ga 0.33333333333333 0.16666666666667 0.68924006535145 69.723 > 85 86 Ga 0.83333333333333 0.16666666666667 0.68924006535145 69.723 > 85 87 Ga 0.33333333333333 0.66666666666667 0.68924006535145 69.723 > 85 88 Ga 0.83333333333333 0.66666666666667 0.68924006535145 69.723 > 85 89 Ga 0.33333333333333 0.16666666666667 0.18924006535145 69.723 > 73 90 Ga 0.83333333333333 0.16666666666667 0.18924006535145 69.723 > 73 91 Ga 0.33333333333333 0.66666666666667 0.18924006535145 69.723 > 73 92 Ga 0.83333333333333 0.66666666666667 0.18924006535145 69.723 > 73 93 Ga 0.16666666666667 0.33333333333333 0.31075993464855 69.723 > 77 94 Ga 0.66666666666667 0.33333333333333 0.31075993464855 69.723 > 77 95 Ga 0.16666666666667 0.83333333333333 0.31075993464855 69.723 > 77 96 Ga 0.66666666666667 0.83333333333333 0.31075993464855 69.723 > 77 97 Ga 0.00000000000000 0.00000000000000 0.14409326798188 69.723 > 81 98 Ga 0.50000000000000 0.00000000000000 0.14409326798188 69.723 > 81 99 Ga 0.00000000000000 0.50000000000000 0.14409326798188 69.723 > 81 100 Ga 0.50000000000000 0.50000000000000 0.14409326798188 69.723 > 81 101 Ga 0.16666666666667 0.33333333333333 0.02257339868479 69.723 > 85 102 Ga 0.66666666666667 0.33333333333333 0.02257339868479 69.723 > 85 103 Ga 0.16666666666667 0.83333333333333 0.02257339868479 69.723 > 85 104 Ga 0.66666666666667 0.83333333333333 0.02257339868479 69.723 > 85 105 Ga 0.16666666666667 0.33333333333333 0.52257339868479 69.723 > 73 106 Ga 0.66666666666667 0.33333333333333 0.52257339868479 69.723 > 73 107 Ga 0.16666666666667 0.83333333333333 0.52257339868479 69.723 > 73 108 Ga 0.66666666666667 0.83333333333333 0.52257339868479 69.723 > 73 109 Ga 0.00000000000000 0.00000000000000 0.64409326798188 69.723 > 77 110 Ga 0.50000000000000 0.00000000000000 0.64409326798188 69.723 > 77 111 Ga 0.00000000000000 0.50000000000000 0.64409326798188 69.723 > 77 112 Ga 0.50000000000000 0.50000000000000 0.64409326798188 69.723 > 77 113 Ga 0.33333333333333 0.16666666666667 0.47742660131521 69.723 > 81 114 Ga 0.83333333333333 0.16666666666667 0.47742660131521 69.723 > 81 115 Ga 0.33333333333333 0.66666666666667 0.47742660131521 69.723 > 81 116 Ga 0.83333333333333 0.66666666666667 0.47742660131521 69.723 > 81 117 Ga 0.00000000000000 0.00000000000000 0.35590673201812 69.723 > 85 118 Ga 0.50000000000000 0.00000000000000 0.35590673201812 69.723 > 85 119 Ga 0.00000000000000 0.50000000000000 0.35590673201812 69.723 > 85 120 Ga 0.50000000000000 0.50000000000000 0.35590673201812 69.723 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4194378 0.0000000 0.0000000 0.0000000 4.4194378 0.0000000 0.0000000 0.0000000 4.2843430 -------------------------- Born effective charges -------------------------- 1 O -2.1414732 -0.0939521 0.3179532 -0.0939521 -2.2499597 -0.1835703 0.4602670 -0.2657353 -2.1547648 2 O -2.1414732 0.0939521 -0.3179532 0.0939521 -2.2499597 -0.1835703 -0.4602670 -0.2657353 -2.1547648 3 O -2.3042030 -0.0000000 -0.0000000 -0.0000000 -2.0872299 0.3671407 0.0000000 0.5314705 -2.1547648 4 O -2.1414732 -0.0939521 0.3179532 -0.0939521 -2.2499597 -0.1835703 0.4602670 -0.2657353 -2.1547648 5 O -2.3042030 -0.0000000 -0.0000000 -0.0000000 -2.0872299 0.3671407 0.0000000 0.5314705 -2.1547648 6 O -2.1414732 0.0939521 -0.3179532 0.0939521 -2.2499597 -0.1835703 -0.4602670 -0.2657353 -2.1547648 7 Ga 3.2935747 0.0472447 0.0000000 -0.0472447 3.2935747 -0.0000000 0.0000000 0.0000000 3.2321471 8 Ga 3.2935747 -0.0472447 0.0000000 0.0472447 3.2935747 -0.0000000 0.0000000 0.0000000 3.2321471 9 Ga 3.2935747 0.0472447 0.0000000 -0.0472447 3.2935747 -0.0000000 0.0000000 0.0000000 3.2321471 10 Ga 3.2935747 -0.0472447 0.0000000 0.0472447 3.2935747 -0.0000000 0.0000000 0.0000000 3.2321471 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000004 (xy) -0.00000004 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:46:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:46:21]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.502493593908282 1.444815350088257 4.485963823333329 b -2.502493593908276 1.444815350088257 4.485963823333329 c 0.000000000000003 -2.889630700176519 4.485963823333329 Atomic positions (fractional): 1 O 0.05281983255959 0.75000000000000 0.44718016744041 15.999 2 O 0.75000000000000 0.44718016744041 0.05281983255959 15.999 3 O 0.44718016744041 0.05281983255959 0.75000000000000 15.999 4 O 0.94718016744041 0.25000000000000 0.55281983255959 15.999 5 O 0.55281983255959 0.94718016744041 0.25000000000000 15.999 6 O 0.25000000000000 0.55281983255959 0.94718016744041 15.999 7 Ga 0.85590673201812 0.85590673201812 0.85590673201812 69.723 8 Ga 0.64409326798188 0.64409326798188 0.64409326798188 69.723 9 Ga 0.14409326798188 0.14409326798188 0.14409326798188 69.723 10 Ga 0.35590673201812 0.35590673201812 0.35590673201812 69.723 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.009974375633115 0.000000000000000 0.000000000000000 b -5.004987187816558 8.668892100529552 0.000000000000000 c 0.000000000000000 0.000000000000000 13.457891470000000 Atomic positions (fractional): 1 O 0.15140991627979 0.15140991627979 0.75000000000000 15.999 > 1 2 O 0.65140991627980 0.15140991627979 0.75000000000000 15.999 > 1 3 O 0.15140991627979 0.65140991627980 0.75000000000000 15.999 > 1 4 O 0.65140991627980 0.65140991627980 0.75000000000000 15.999 > 1 5 O 0.00000000000000 0.34859008372021 0.75000000000000 15.999 > 5 6 O 0.50000000000000 0.34859008372021 0.75000000000000 15.999 > 5 7 O 0.00000000000000 0.84859008372020 0.75000000000000 15.999 > 5 8 O 0.50000000000000 0.84859008372020 0.75000000000000 15.999 > 5 9 O 0.34859008372021 0.00000000000000 0.75000000000000 15.999 > 9 10 O 0.84859008372020 0.00000000000000 0.75000000000000 15.999 > 9 11 O 0.34859008372021 0.50000000000000 0.75000000000000 15.999 > 9 12 O 0.84859008372020 0.50000000000000 0.75000000000000 15.999 > 9 13 O 0.01525675038687 0.18192341705354 0.91666666666667 15.999 > 13 14 O 0.51525675038687 0.18192341705354 0.91666666666667 15.999 > 13 15 O 0.01525675038687 0.68192341705354 0.91666666666667 15.999 > 13 16 O 0.51525675038687 0.68192341705354 0.91666666666667 15.999 > 13 17 O 0.31807658294646 0.33333333333333 0.91666666666667 15.999 > 17 18 O 0.81807658294646 0.33333333333333 0.91666666666667 15.999 > 17 19 O 0.31807658294646 0.83333333333333 0.91666666666667 15.999 > 17 20 O 0.81807658294646 0.83333333333333 0.91666666666667 15.999 > 17 21 O 0.16666666666667 0.48474324961313 0.91666666666667 15.999 > 21 22 O 0.66666666666667 0.48474324961313 0.91666666666667 15.999 > 21 23 O 0.16666666666667 0.98474324961313 0.91666666666667 15.999 > 21 24 O 0.66666666666667 0.98474324961313 0.91666666666667 15.999 > 21 25 O 0.48474324961313 0.31807658294646 0.08333333333333 15.999 > 1 26 O 0.98474324961313 0.31807658294646 0.08333333333333 15.999 > 1 27 O 0.48474324961313 0.81807658294646 0.08333333333333 15.999 > 1 28 O 0.98474324961313 0.81807658294646 0.08333333333333 15.999 > 1 29 O 0.33333333333333 0.01525675038687 0.08333333333333 15.999 > 5 30 O 0.83333333333333 0.01525675038687 0.08333333333333 15.999 > 5 31 O 0.33333333333333 0.51525675038687 0.08333333333333 15.999 > 5 32 O 0.83333333333333 0.51525675038687 0.08333333333333 15.999 > 5 33 O 0.18192341705354 0.16666666666667 0.08333333333333 15.999 > 9 34 O 0.68192341705354 0.16666666666667 0.08333333333333 15.999 > 9 35 O 0.18192341705354 0.66666666666667 0.08333333333333 15.999 > 9 36 O 0.68192341705354 0.66666666666667 0.08333333333333 15.999 > 9 37 O 0.34859008372021 0.34859008372021 0.25000000000000 15.999 > 13 38 O 0.84859008372020 0.34859008372021 0.25000000000000 15.999 > 13 39 O 0.34859008372021 0.84859008372020 0.25000000000000 15.999 > 13 40 O 0.84859008372020 0.84859008372020 0.25000000000000 15.999 > 13 41 O 0.15140991627979 0.00000000000000 0.25000000000000 15.999 > 17 42 O 0.65140991627980 0.00000000000000 0.25000000000000 15.999 > 17 43 O 0.15140991627979 0.50000000000000 0.25000000000000 15.999 > 17 44 O 0.65140991627980 0.50000000000000 0.25000000000000 15.999 > 17 45 O 0.00000000000000 0.15140991627979 0.25000000000000 15.999 > 21 46 O 0.50000000000000 0.15140991627979 0.25000000000000 15.999 > 21 47 O 0.00000000000000 0.65140991627980 0.25000000000000 15.999 > 21 48 O 0.50000000000000 0.65140991627980 0.25000000000000 15.999 > 21 49 O 0.31807658294646 0.48474324961313 0.41666666666667 15.999 > 1 50 O 0.81807658294646 0.48474324961313 0.41666666666667 15.999 > 1 51 O 0.31807658294646 0.98474324961313 0.41666666666667 15.999 > 1 52 O 0.81807658294646 0.98474324961313 0.41666666666667 15.999 > 1 53 O 0.16666666666667 0.18192341705354 0.41666666666667 15.999 > 5 54 O 0.66666666666667 0.18192341705354 0.41666666666667 15.999 > 5 55 O 0.16666666666667 0.68192341705354 0.41666666666667 15.999 > 5 56 O 0.66666666666667 0.68192341705354 0.41666666666667 15.999 > 5 57 O 0.01525675038687 0.33333333333333 0.41666666666667 15.999 > 9 58 O 0.51525675038687 0.33333333333333 0.41666666666667 15.999 > 9 59 O 0.01525675038687 0.83333333333333 0.41666666666667 15.999 > 9 60 O 0.51525675038687 0.83333333333333 0.41666666666667 15.999 > 9 61 O 0.18192341705354 0.01525675038687 0.58333333333333 15.999 > 13 62 O 0.68192341705354 0.01525675038687 0.58333333333333 15.999 > 13 63 O 0.18192341705354 0.51525675038687 0.58333333333333 15.999 > 13 64 O 0.68192341705354 0.51525675038687 0.58333333333333 15.999 > 13 65 O 0.48474324961313 0.16666666666667 0.58333333333333 15.999 > 17 66 O 0.98474324961313 0.16666666666667 0.58333333333333 15.999 > 17 67 O 0.48474324961313 0.66666666666667 0.58333333333333 15.999 > 17 68 O 0.98474324961313 0.66666666666667 0.58333333333333 15.999 > 17 69 O 0.33333333333333 0.31807658294646 0.58333333333333 15.999 > 21 70 O 0.83333333333333 0.31807658294646 0.58333333333333 15.999 > 21 71 O 0.33333333333333 0.81807658294646 0.58333333333333 15.999 > 21 72 O 0.83333333333333 0.81807658294646 0.58333333333333 15.999 > 21 73 Ga 0.00000000000000 0.00000000000000 0.85590673201812 69.723 > 73 74 Ga 0.50000000000000 0.00000000000000 0.85590673201812 69.723 > 73 75 Ga 0.00000000000000 0.50000000000000 0.85590673201812 69.723 > 73 76 Ga 0.50000000000000 0.50000000000000 0.85590673201812 69.723 > 73 77 Ga 0.33333333333333 0.16666666666667 0.97742660131521 69.723 > 77 78 Ga 0.83333333333333 0.16666666666667 0.97742660131521 69.723 > 77 79 Ga 0.33333333333333 0.66666666666667 0.97742660131521 69.723 > 77 80 Ga 0.83333333333333 0.66666666666667 0.97742660131521 69.723 > 77 81 Ga 0.16666666666667 0.33333333333333 0.81075993464855 69.723 > 81 82 Ga 0.66666666666667 0.33333333333333 0.81075993464855 69.723 > 81 83 Ga 0.16666666666667 0.83333333333333 0.81075993464855 69.723 > 81 84 Ga 0.66666666666667 0.83333333333333 0.81075993464855 69.723 > 81 85 Ga 0.33333333333333 0.16666666666667 0.68924006535145 69.723 > 85 86 Ga 0.83333333333333 0.16666666666667 0.68924006535145 69.723 > 85 87 Ga 0.33333333333333 0.66666666666667 0.68924006535145 69.723 > 85 88 Ga 0.83333333333333 0.66666666666667 0.68924006535145 69.723 > 85 89 Ga 0.33333333333333 0.16666666666667 0.18924006535145 69.723 > 73 90 Ga 0.83333333333333 0.16666666666667 0.18924006535145 69.723 > 73 91 Ga 0.33333333333333 0.66666666666667 0.18924006535145 69.723 > 73 92 Ga 0.83333333333333 0.66666666666667 0.18924006535145 69.723 > 73 93 Ga 0.16666666666667 0.33333333333333 0.31075993464855 69.723 > 77 94 Ga 0.66666666666667 0.33333333333333 0.31075993464855 69.723 > 77 95 Ga 0.16666666666667 0.83333333333333 0.31075993464855 69.723 > 77 96 Ga 0.66666666666667 0.83333333333333 0.31075993464855 69.723 > 77 97 Ga 0.00000000000000 0.00000000000000 0.14409326798188 69.723 > 81 98 Ga 0.50000000000000 0.00000000000000 0.14409326798188 69.723 > 81 99 Ga 0.00000000000000 0.50000000000000 0.14409326798188 69.723 > 81 100 Ga 0.50000000000000 0.50000000000000 0.14409326798188 69.723 > 81 101 Ga 0.16666666666667 0.33333333333333 0.02257339868479 69.723 > 85 102 Ga 0.66666666666667 0.33333333333333 0.02257339868479 69.723 > 85 103 Ga 0.16666666666667 0.83333333333333 0.02257339868479 69.723 > 85 104 Ga 0.66666666666667 0.83333333333333 0.02257339868479 69.723 > 85 105 Ga 0.16666666666667 0.33333333333333 0.52257339868479 69.723 > 73 106 Ga 0.66666666666667 0.33333333333333 0.52257339868479 69.723 > 73 107 Ga 0.16666666666667 0.83333333333333 0.52257339868479 69.723 > 73 108 Ga 0.66666666666667 0.83333333333333 0.52257339868479 69.723 > 73 109 Ga 0.00000000000000 0.00000000000000 0.64409326798188 69.723 > 77 110 Ga 0.50000000000000 0.00000000000000 0.64409326798188 69.723 > 77 111 Ga 0.00000000000000 0.50000000000000 0.64409326798188 69.723 > 77 112 Ga 0.50000000000000 0.50000000000000 0.64409326798188 69.723 > 77 113 Ga 0.33333333333333 0.16666666666667 0.47742660131521 69.723 > 81 114 Ga 0.83333333333333 0.16666666666667 0.47742660131521 69.723 > 81 115 Ga 0.33333333333333 0.66666666666667 0.47742660131521 69.723 > 81 116 Ga 0.83333333333333 0.66666666666667 0.47742660131521 69.723 > 81 117 Ga 0.00000000000000 0.00000000000000 0.35590673201812 69.723 > 85 118 Ga 0.50000000000000 0.00000000000000 0.35590673201812 69.723 > 85 119 Ga 0.00000000000000 0.50000000000000 0.35590673201812 69.723 > 85 120 Ga 0.50000000000000 0.50000000000000 0.35590673201812 69.723 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4194378 0.0000000 0.0000000 0.0000000 4.4194378 0.0000000 0.0000000 0.0000000 4.2843430 -------------------------- Born effective charges -------------------------- 1 O -2.1414732 -0.0939521 0.3179532 -0.0939521 -2.2499597 -0.1835703 0.4602670 -0.2657353 -2.1547648 2 O -2.1414732 0.0939521 -0.3179532 0.0939521 -2.2499597 -0.1835703 -0.4602670 -0.2657353 -2.1547648 3 O -2.3042030 -0.0000000 -0.0000000 -0.0000000 -2.0872299 0.3671407 0.0000000 0.5314705 -2.1547648 4 O -2.1414732 -0.0939521 0.3179532 -0.0939521 -2.2499597 -0.1835703 0.4602670 -0.2657353 -2.1547648 5 O -2.3042030 -0.0000000 -0.0000000 -0.0000000 -2.0872299 0.3671407 0.0000000 0.5314705 -2.1547648 6 O -2.1414732 0.0939521 -0.3179532 0.0939521 -2.2499597 -0.1835703 -0.4602670 -0.2657353 -2.1547648 7 Ga 3.2935747 0.0472447 0.0000000 -0.0472447 3.2935747 -0.0000000 0.0000000 0.0000000 3.2321471 8 Ga 3.2935747 -0.0472447 0.0000000 0.0472447 3.2935747 -0.0000000 0.0000000 0.0000000 3.2321471 9 Ga 3.2935747 0.0472447 0.0000000 -0.0472447 3.2935747 -0.0000000 0.0000000 0.0000000 3.2321471 10 Ga 3.2935747 -0.0472447 0.0000000 0.0472447 3.2935747 -0.0000000 0.0000000 0.0000000 3.2321471 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 12 ] 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: 0.90, Number of G-points: 297, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/189) ======================= 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 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 189 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 4.546 ( 0.000 0.000 0.000) 0.000 6.212 ( 0.000 0.000 0.000) 0.000 6.459 ( 0.000 0.000 0.000) 0.000 6.459 ( 0.000 0.000 0.000) 0.000 6.854 ( 0.000 0.000 0.000) 0.000 6.854 ( 0.000 0.000 0.000) 0.000 7.893 ( 0.000 0.000 0.000) 0.000 8.334 ( 0.000 0.000 0.000) 0.000 8.334 ( 0.000 0.000 0.000) 0.000 9.389 ( 0.000 0.000 0.000) 0.000 9.389 ( 0.000 0.000 0.000) 0.000 9.619 ( 0.000 0.000 0.000) 0.000 9.619 ( 0.000 0.000 0.000) 0.000 9.807 ( 0.000 0.000 0.000) 0.000 12.382 ( 0.000 0.000 0.000) 0.000 12.382 ( 0.000 0.000 0.000) 0.000 13.514 ( 0.000 0.000 0.000) 0.000 13.514 ( 0.000 0.000 0.000) 0.000 13.652 ( 0.000 0.000 0.000) 0.000 15.542 ( 0.000 0.000 0.000) 0.000 16.238 ( 0.000 0.000 0.000) 0.000 16.238 ( 0.000 0.000 0.000) 0.000 16.328 ( 0.000 0.000 0.000) 0.000 17.863 ( 0.000 0.000 0.000) 0.000 19.679 ( 0.000 0.000 0.000) 0.000 19.679 ( 0.000 0.000 0.000) 0.000 20.073 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/189) ======================= q-point: ( 0.08 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 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 26.117 15.079 21.033) 36.767 0.822 ( 35.648 20.581 2.981) 41.270 1.550 ( 63.647 36.747 19.634) 76.071 4.486 ( -5.157 -2.978 -0.420) 5.970 6.008 ( -14.303 -8.258 1.333) 16.569 6.132 ( -14.882 -8.592 -17.298) 24.383 6.487 ( -3.728 -2.152 9.602) 10.523 6.920 ( 10.261 5.924 -19.135) 22.506 7.157 ( 12.081 6.975 19.929) 24.327 8.068 ( -16.250 -9.382 52.274) 55.540 8.358 ( 1.608 0.928 1.140) 2.179 8.379 ( 4.643 2.681 -1.446) 5.553 9.232 ( -12.086 -6.978 10.379) 17.392 9.398 ( -1.367 -0.789 8.781) 8.922 9.739 ( -5.199 -3.002 -2.324) 6.437 9.825 ( 16.118 9.306 -10.140) 21.195 11.339 ( 7.000 4.041 22.853) 24.240 12.417 ( 2.284 1.319 3.357) 4.269 12.453 ( 6.431 3.713 -1.146) 7.514 13.415 ( -6.639 -3.833 -3.553) 8.449 13.683 ( 2.289 1.321 -1.705) 3.145 15.396 ( 3.404 1.965 -27.423) 27.703 15.722 ( -25.405 -14.668 3.230) 29.513 16.217 ( -1.935 -1.117 0.077) 2.236 16.669 ( 14.930 8.620 3.362) 17.564 17.801 ( -5.175 -2.988 -1.212) 6.098 19.685 ( 1.306 0.754 -2.925) 3.290 19.688 ( 0.260 0.150 1.970) 1.993 20.056 ( -1.447 -0.835 0.144) 1.677 20.153 ( 2.915 1.683 -9.870) 10.428 ======================= Grid point 2 (3/189) ======================= q-point: ( 0.17 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 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 25.550 14.752 19.405) 35.313 1.608 ( 33.499 19.341 2.038) 38.735 3.052 ( 60.526 34.944 18.875) 72.393 4.326 ( -8.477 -4.894 -0.532) 9.803 5.681 ( -15.796 -9.120 3.534) 18.578 5.707 ( -13.601 -7.852 -16.193) 22.558 6.371 ( -10.302 -5.948 3.108) 12.295 7.031 ( 10.186 5.881 -18.991) 22.338 7.517 ( 7.889 4.555 22.804) 24.556 8.018 ( -8.185 -4.725 19.736) 21.882 8.398 ( 0.295 0.170 2.872) 2.893 8.527 ( 9.813 5.666 -3.363) 11.820 9.040 ( -10.616 -6.129 9.978) 15.806 9.453 ( -0.139 -0.080 15.489) 15.489 9.567 ( -7.738 -4.468 -4.833) 10.158 10.129 ( 16.347 9.438 -10.934) 21.814 11.723 ( 14.954 8.634 17.284) 24.431 12.526 ( 4.141 2.391 8.867) 10.074 12.616 ( 8.217 4.744 -5.809) 11.126 13.229 ( -6.364 -3.674 -2.560) 7.781 13.718 ( 2.561 1.478 -4.334) 5.246 15.139 ( -26.892 -15.526 4.995) 31.452 15.289 ( -3.084 -1.780 -13.404) 13.869 16.153 ( -3.911 -2.258 0.238) 4.523 16.961 ( 9.133 5.273 3.911) 11.248 17.624 ( -9.324 -5.383 -3.491) 11.318 19.698 ( 2.139 1.235 -5.318) 5.864 19.713 ( 0.440 0.254 3.329) 3.367 20.018 ( -2.054 -1.186 0.856) 2.521 20.153 ( 1.665 0.961 -6.899) 7.162 ======================= Grid point 3 (4/189) ======================= q-point: ( 0.25 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 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 24.303 14.031 16.934) 32.776 2.326 ( 30.344 17.519 0.554) 35.042 4.137 ( -7.681 -4.434 0.446) 8.880 4.441 ( 52.744 30.452 17.785) 63.447 5.332 ( -11.867 -6.851 -13.807) 19.452 5.368 ( -13.757 -7.943 4.066) 16.398 6.082 ( -14.810 -8.551 -3.230) 17.404 7.147 ( 9.580 5.531 -13.647) 17.567 7.770 ( 1.446 0.835 23.261) 23.321 7.964 ( -3.550 -2.049 6.490) 7.676 8.391 ( -3.587 -2.071 7.697) 8.741 8.737 ( 10.692 6.173 -6.275) 13.849 8.890 ( -8.308 -4.796 9.181) 13.278 9.350 ( -8.236 -4.755 -8.006) 12.432 9.597 ( 3.414 1.971 19.850) 20.238 10.386 ( 13.259 7.655 -13.333) 20.302 12.147 ( 14.249 8.227 9.452) 18.975 12.596 ( -5.240 -3.025 -14.505) 15.716 12.712 ( 4.939 2.852 17.802) 18.693 13.244 ( 8.640 4.988 0.530) 9.990 13.747 ( 2.903 1.676 -4.635) 5.720 14.579 ( -25.218 -14.559 6.464) 29.828 15.165 ( -2.226 -1.285 -7.201) 7.646 16.050 ( -5.570 -3.216 0.896) 6.494 17.118 ( 2.541 1.467 4.950) 5.754 17.357 ( -11.200 -6.466 -7.331) 14.866 19.715 ( 2.808 1.621 -6.274) 7.063 19.747 ( 0.603 0.348 3.881) 3.943 19.981 ( -1.951 -1.126 1.715) 2.831 20.136 ( 0.291 0.168 -6.043) 6.052 ======================= Grid point 4 (5/189) ======================= q-point: ( 0.33 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 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( 22.269 12.857 14.077) 29.315 2.959 ( 26.829 15.490 -1.260) 31.005 4.017 ( -3.740 -2.159 2.200) 4.847 4.964 ( -16.071 -9.278 9.870) 21.018 5.009 ( -9.966 -5.754 -11.036) 15.944 5.486 ( 0.885 0.511 -4.789) 4.897 5.959 ( 28.824 16.641 7.678) 34.157 7.292 ( 9.729 5.617 -8.556) 14.121 7.833 ( -7.061 -4.077 15.891) 17.861 7.961 ( 2.323 1.341 -1.706) 3.179 8.373 ( -5.724 -3.305 20.731) 21.759 8.778 ( -6.465 -3.732 7.506) 10.586 8.888 ( 6.834 3.945 -9.402) 12.275 9.085 ( -10.846 -6.262 -11.517) 17.015 9.851 ( 7.516 4.339 22.220) 23.854 10.551 ( 10.079 5.819 -16.840) 20.471 12.327 ( -8.079 -4.664 -15.748) 18.303 12.414 ( 4.976 2.873 3.811) 6.895 12.930 ( 2.467 1.424 22.593) 22.772 13.444 ( 8.694 5.020 -11.654) 15.382 13.822 ( 5.085 2.936 3.389) 6.779 14.167 ( -14.310 -8.262 7.692) 18.226 15.128 ( 2.305 1.331 -2.623) 3.737 15.921 ( -6.917 -3.994 2.320) 8.318 17.066 ( -8.695 -5.020 -12.006) 15.651 17.136 ( -3.901 -2.252 6.223) 7.682 19.751 ( 3.793 2.190 -5.584) 7.097 19.787 ( 0.792 0.457 3.903) 4.008 19.951 ( -1.919 -1.108 2.178) 3.107 20.089 ( -1.364 -0.787 -5.348) 5.575 ======================= Grid point 5 (6/189) ======================= q-point: ( 0.42 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 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.237 ( 19.042 10.994 11.187) 24.670 3.502 ( 22.938 13.243 -3.439) 26.709 3.963 ( -3.441 -1.987 1.201) 4.152 4.578 ( -21.891 -12.639 5.877) 25.952 4.798 ( -2.711 -1.565 -5.660) 6.468 5.162 ( -14.513 -8.379 -7.067) 18.187 6.903 ( 38.198 22.054 4.860) 44.374 7.493 ( 12.587 7.267 -0.369) 14.538 7.694 ( -11.366 -6.562 9.915) 16.448 8.051 ( 8.534 4.927 -8.778) 13.197 8.333 ( -11.934 -6.890 23.960) 27.640 8.615 ( -18.111 -10.457 -1.589) 20.973 8.809 ( -1.582 -0.913 -2.353) 2.979 8.922 ( 2.294 1.324 -11.459) 11.761 10.180 ( 8.650 4.994 23.063) 25.132 10.610 ( 4.574 2.641 -20.007) 20.692 12.124 ( -0.222 -0.128 -14.435) 14.438 12.381 ( -10.002 -5.775 6.652) 13.328 13.111 ( 2.640 1.524 20.875) 21.097 13.447 ( 1.669 0.963 -20.510) 20.600 13.976 ( 3.926 2.267 6.940) 8.289 14.046 ( -1.822 -1.052 4.432) 4.906 15.250 ( 8.940 5.162 1.086) 10.380 15.755 ( -9.933 -5.735 2.326) 11.703 16.876 ( 0.003 0.002 -14.107) 14.107 17.037 ( -8.523 -4.921 8.101) 12.747 19.815 ( 4.862 2.807 -5.158) 7.624 19.829 ( 0.774 0.447 4.088) 4.184 19.921 ( -2.289 -1.322 3.381) 4.292 20.011 ( -2.622 -1.514 -4.825) 5.696 ======================= Grid point 6 (7/189) ======================= 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 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.649 ( -10.652 -6.150 -8.045) 14.698 3.649 ( 10.652 6.150 8.045) 14.698 4.106 ( -20.809 -12.014 1.802) 24.096 4.106 ( 20.809 12.014 -1.802) 24.096 4.863 ( -8.845 -5.107 -2.183) 10.444 4.863 ( 8.845 5.107 2.183) 10.444 7.467 ( -15.647 -9.034 8.985) 20.179 7.467 ( 15.647 9.034 -8.985) 20.179 7.986 ( -25.842 -14.920 -9.553) 31.331 7.986 ( 25.842 14.920 9.553) 31.331 8.221 ( 13.375 7.722 -14.110) 20.919 8.221 ( -13.375 -7.722 14.110) 20.919 8.864 ( -0.891 -0.514 -10.262) 10.313 8.864 ( 0.891 0.514 10.262) 10.313 10.478 ( -4.381 -2.530 -22.403) 22.968 10.478 ( 4.381 2.530 22.403) 22.968 12.171 ( 10.887 6.285 -10.975) 16.687 12.171 ( -10.887 -6.285 10.975) 16.687 13.304 ( -2.276 -1.314 -21.269) 21.431 13.304 ( 2.276 1.314 21.269) 21.431 14.047 ( -0.102 -0.059 -2.348) 2.351 14.047 ( 0.102 0.059 2.348) 2.351 15.505 ( -12.323 -7.115 -0.780) 14.251 15.505 ( 12.323 7.115 0.780) 14.251 16.898 ( 8.103 4.678 -11.268) 14.646 16.898 ( -8.103 -4.678 11.268) 14.646 19.865 ( 1.434 0.828 -7.580) 7.759 19.865 ( -1.434 -0.828 7.580) 7.759 19.924 ( -1.146 -0.661 -7.269) 7.389 19.924 ( 1.146 0.661 7.269) 7.389 ======================= Grid point 14 (8/189) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -0.000 29.682 29.989) 42.194 1.005 ( -0.000 38.497 20.388) 43.563 1.592 ( -0.000 63.074 28.584) 69.249 4.484 ( 0.000 -5.757 -0.645) 5.793 5.865 ( 0.000 -21.163 -13.534) 25.121 6.312 ( 0.000 1.033 -8.591) 8.653 6.372 ( 0.000 -11.171 4.562) 12.067 6.835 ( 0.000 4.300 -10.674) 11.507 7.277 ( -0.000 14.288 18.426) 23.317 8.330 ( 0.000 -0.666 -1.890) 2.004 8.370 ( -0.000 -2.812 9.968) 10.357 8.568 ( -0.000 -30.026 60.276) 67.341 9.095 ( 0.000 -11.739 -3.943) 12.383 9.409 ( -0.000 -1.217 5.324) 5.461 9.721 ( 0.000 -4.993 -4.218) 6.536 10.055 ( -0.000 19.789 13.986) 24.233 11.313 ( -0.000 -13.370 20.039) 24.090 12.395 ( -0.000 0.982 0.465) 1.086 12.443 ( -0.000 7.620 -2.061) 7.894 13.466 ( 0.000 -8.559 1.435) 8.678 13.759 ( -0.000 9.431 6.582) 11.501 15.228 ( 0.000 24.794 -38.046) 45.412 15.712 ( 0.000 -32.164 2.334) 32.248 16.260 ( -0.000 -0.863 4.765) 4.842 16.678 ( -0.000 15.714 3.744) 16.154 17.792 ( 0.000 -5.871 -2.174) 6.261 19.503 ( 0.000 -7.099 -12.051) 13.987 19.694 ( 0.000 2.742 -1.942) 3.361 20.055 ( 0.000 -1.892 0.020) 1.892 20.192 ( -0.000 10.346 -4.665) 11.349 ======================= Grid point 15 (9/189) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 6.091 24.784 30.382) 39.679 1.576 ( 12.083 36.691 12.352) 40.556 2.755 ( 40.317 52.377 25.252) 70.756 4.374 ( -4.693 -7.453 -0.532) 8.824 5.543 ( -3.423 -19.614 -14.534) 24.651 5.987 ( -18.658 -3.268 -2.388) 19.092 6.441 ( 1.316 -9.621 4.671) 10.775 6.800 ( 3.784 4.174 -17.640) 18.518 7.579 ( 7.644 7.523 18.253) 21.170 8.245 ( -7.178 -8.933 5.021) 12.511 8.421 ( -0.136 -8.095 19.858) 21.445 8.507 ( -5.316 10.247 4.524) 12.398 9.150 ( 4.902 -11.201 11.182) 16.569 9.410 ( 0.746 -5.567 10.469) 11.880 9.613 ( -4.030 -3.557 -3.278) 6.296 10.214 ( -7.226 24.152 3.840) 25.500 11.544 ( 21.216 -3.280 10.777) 24.021 12.446 ( 4.633 -0.347 1.691) 4.945 12.574 ( 5.987 9.762 -3.379) 11.939 13.300 ( -7.549 -7.634 0.097) 10.737 13.836 ( -7.581 13.503 6.461) 16.779 15.222 ( -1.411 -1.184 -15.839) 15.946 15.307 ( -12.110 -20.639 0.913) 23.947 16.234 ( -5.135 -0.458 4.925) 7.130 16.913 ( 7.435 9.414 4.727) 12.893 17.657 ( -5.612 -8.468 -3.919) 10.889 19.464 ( 11.095 -8.853 -13.021) 19.262 19.717 ( 0.758 3.524 -2.428) 4.346 20.022 ( -1.097 -2.788 0.103) 2.997 20.220 ( -3.825 7.715 -1.732) 8.783 ======================= Grid point 16 (10/189) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 14.111 18.737 24.383) 33.834 2.213 ( 16.647 31.025 8.465) 36.212 4.089 ( 45.133 42.718 21.362) 65.713 4.204 ( -6.314 -6.774 0.518) 9.275 5.222 ( -3.779 -16.039 -12.780) 20.854 5.643 ( -17.886 -3.363 -0.077) 18.200 6.249 ( -14.049 -7.619 -0.547) 15.992 6.858 ( 12.826 -1.960 -13.941) 19.045 7.851 ( 6.102 0.505 16.397) 17.503 8.056 ( -6.228 -8.108 0.274) 10.227 8.454 ( -0.633 -3.769 14.486) 14.981 8.633 ( 4.295 9.513 0.097) 10.438 9.093 ( -9.436 -2.710 10.981) 14.730 9.378 ( -4.406 -6.441 -3.167) 8.422 9.619 ( 5.348 -1.450 16.950) 17.832 10.365 ( -1.161 20.929 -5.551) 21.684 11.959 ( 21.217 2.100 4.710) 21.835 12.502 ( 1.563 -3.594 -6.249) 7.376 12.736 ( 6.315 4.063 1.732) 7.707 13.193 ( 1.176 0.749 2.903) 3.220 13.874 ( -8.452 14.571 6.648) 18.109 14.768 ( -16.336 -27.632 4.054) 32.354 15.185 ( -4.108 4.412 -7.263) 9.439 16.154 ( -7.168 -0.540 4.720) 8.599 17.114 ( 4.563 3.405 6.040) 8.301 17.404 ( -9.416 -9.946 -7.212) 15.480 19.500 ( 11.712 -7.557 -12.442) 18.684 19.754 ( 1.176 3.836 -2.367) 4.659 19.974 ( -0.904 -3.744 0.507) 3.885 20.207 ( -4.554 5.914 -0.835) 7.511 ======================= Grid point 17 (11/189) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 17.561 13.730 18.846) 29.191 2.813 ( 17.264 25.818 5.114) 31.476 4.068 ( -4.143 -4.078 2.788) 6.448 4.891 ( -0.750 -14.407 -5.046) 15.283 5.263 ( 0.429 10.449 8.497) 13.474 5.371 ( 10.739 14.096 0.627) 17.732 5.927 ( -8.837 -0.544 -0.867) 8.896 6.996 ( 16.056 -5.068 -8.542) 18.879 7.864 ( -0.386 -11.745 -8.749) 14.651 7.993 ( -1.199 -1.833 13.835) 14.007 8.540 ( 1.462 -0.177 17.456) 17.518 8.780 ( 1.768 6.788 1.860) 7.257 8.962 ( -9.984 -2.095 7.525) 12.677 9.176 ( -10.544 -2.540 -6.196) 12.490 9.872 ( 9.395 1.811 21.430) 23.469 10.477 ( -0.161 15.172 -11.593) 19.095 12.276 ( 5.168 -2.961 -8.123) 10.073 12.328 ( 1.346 0.120 -8.548) 8.654 12.930 ( 10.394 -3.320 11.390) 15.773 13.328 ( 5.218 6.953 -2.397) 9.018 13.940 ( -5.608 13.356 10.975) 18.174 14.306 ( -12.920 -21.740 7.108) 26.269 15.144 ( -1.876 5.768 -2.983) 6.760 16.049 ( -8.428 -0.688 5.454) 10.062 17.071 ( -9.421 -9.637 -10.463) 17.062 17.209 ( -1.363 -0.568 6.002) 6.181 19.550 ( 10.799 -5.554 -11.394) 16.652 19.800 ( 1.340 4.098 -2.152) 4.819 19.931 ( -0.010 -4.601 1.088) 4.728 20.172 ( -5.182 4.300 -0.135) 6.735 ======================= Grid point 18 (12/189) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( 18.419 9.751 14.155) 25.194 3.340 ( 16.302 20.797 1.944) 26.496 4.007 ( -3.266 -3.158 3.547) 5.764 4.689 ( -2.740 -10.778 -1.737) 11.255 4.940 ( -19.997 -6.088 1.454) 20.954 5.309 ( -16.708 -5.532 -8.331) 19.472 6.545 ( 34.751 24.176 6.210) 42.787 7.213 ( 19.960 -3.095 -0.022) 20.199 7.674 ( 1.654 -17.539 -7.952) 19.329 8.033 ( -1.546 6.237 2.738) 6.985 8.642 ( -5.026 -5.586 18.189) 19.680 8.744 ( -13.169 -2.843 4.540) 14.217 8.868 ( -5.741 4.180 -2.385) 7.492 8.947 ( -6.959 2.216 -0.392) 7.313 10.208 ( 10.548 4.420 21.479) 24.333 10.506 ( -0.308 8.643 -15.563) 17.805 12.044 ( -3.676 -3.152 -16.491) 17.187 12.439 ( 1.178 -2.792 -0.070) 3.031 13.120 ( 8.823 -3.083 9.012) 12.983 13.376 ( -2.349 4.634 -7.174) 8.858 14.040 ( -2.610 -3.140 5.862) 7.144 14.086 ( -2.326 -0.987 14.981) 15.193 15.218 ( 3.609 8.815 -0.159) 9.527 15.915 ( -11.112 -2.125 5.260) 12.477 16.799 ( -3.674 -3.760 -14.305) 15.240 17.170 ( -6.132 -4.008 8.392) 11.140 19.610 ( 10.073 -4.342 -10.549) 15.219 19.847 ( 1.110 2.614 -0.564) 2.896 19.902 ( 0.902 -3.143 0.059) 3.270 20.117 ( -5.860 2.987 1.460) 6.737 ======================= Grid point 19 (13/189) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.526 ( 16.037 6.122 10.168) 19.952 3.677 ( -0.646 1.155 -3.114) 3.383 3.969 ( 6.740 7.018 1.141) 9.797 4.400 ( -23.335 -10.874 3.916) 26.040 4.792 ( 6.322 4.626 0.877) 7.882 4.964 ( -12.000 -5.330 -4.740) 13.960 7.122 ( 21.864 1.034 -7.574) 23.162 7.417 ( 4.490 -22.075 -1.592) 22.583 7.786 ( 26.125 13.576 7.608) 30.409 8.099 ( -0.924 11.239 -7.189) 13.374 8.287 ( -25.847 -8.522 -8.788) 28.599 8.488 ( -15.802 -3.418 10.823) 19.455 8.877 ( -2.595 3.393 0.221) 4.277 8.963 ( -1.440 2.742 13.785) 14.129 10.394 ( -2.812 0.793 -20.251) 20.461 10.563 ( 6.449 4.386 22.535) 23.847 11.978 ( 7.858 3.520 -14.400) 16.778 12.322 ( -7.896 -7.637 5.401) 12.241 13.212 ( -1.155 2.533 -15.330) 15.580 13.377 ( 3.606 -0.035 14.747) 15.182 14.005 ( 2.031 -5.427 0.550) 5.821 14.132 ( -5.596 0.082 11.564) 12.847 15.417 ( 8.461 9.731 0.340) 12.900 15.681 ( -15.024 -3.791 0.750) 15.513 16.748 ( 6.258 3.960 -11.113) 13.354 17.056 ( -8.090 -5.276 10.641) 14.371 19.664 ( 8.742 -3.944 -10.529) 14.243 19.859 ( 0.470 -6.078 7.102) 9.360 19.913 ( 1.045 5.350 -8.414) 10.026 20.068 ( -4.995 2.673 5.355) 7.796 ======================= Grid point 20 (14/189) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.368 ( -17.298 -12.332 -5.853) 22.035 3.780 ( -6.114 -1.751 7.105) 9.535 3.955 ( -11.470 -4.689 -0.099) 12.391 4.325 ( 17.247 12.040 -4.307) 21.471 4.805 ( -0.055 -0.850 2.246) 2.402 5.074 ( 12.992 11.193 7.014) 18.528 7.155 ( -8.124 -21.616 -4.256) 23.481 7.382 ( 12.107 -12.831 -4.408) 18.184 7.606 ( -21.759 -5.152 -10.412) 24.666 8.200 ( 1.679 13.842 -17.016) 22.000 8.242 ( -10.363 -2.449 4.797) 11.679 8.408 ( 17.638 11.048 3.950) 21.184 8.875 ( -2.359 6.097 6.289) 9.071 9.040 ( -1.938 -1.236 14.616) 14.795 10.139 ( -8.527 -4.377 -21.065) 23.143 10.792 ( -0.789 2.418 20.730) 20.885 12.157 ( 13.831 4.963 -9.900) 17.719 12.215 ( -0.958 -1.650 8.350) 8.565 13.051 ( -6.076 0.853 -15.744) 16.898 13.551 ( 3.027 -0.908 16.183) 16.489 13.964 ( -0.644 -4.065 -5.136) 6.582 14.052 ( -6.150 -4.174 4.528) 8.703 15.400 ( -13.006 -1.065 -1.699) 13.160 15.661 ( 8.455 8.634 -0.526) 12.096 16.869 ( 7.790 2.338 -5.455) 9.794 16.992 ( -1.982 -0.191 10.733) 10.916 19.690 ( 6.155 -3.559 -9.242) 11.661 19.848 ( 0.185 -7.483 6.582) 9.968 19.902 ( -1.114 4.693 -7.234) 8.695 20.092 ( -1.098 4.331 6.365) 7.776 ======================= Grid point 21 (15/189) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( -22.235 -13.311 -7.154) 26.884 3.354 ( -29.030 -6.560 2.694) 29.884 3.960 ( 2.803 -0.004 -1.370) 3.120 4.653 ( 17.723 2.834 -5.155) 18.674 4.984 ( 11.003 8.165 5.612) 14.806 5.473 ( 12.320 13.110 9.175) 20.195 6.407 ( -45.273 -17.520 -7.069) 49.057 7.187 ( 5.312 -22.116 -5.255) 23.345 7.665 ( 10.987 2.850 -5.052) 12.424 8.047 ( -9.603 -2.545 2.592) 10.267 8.242 ( 1.774 12.149 -21.492) 24.752 8.659 ( 6.370 2.283 -3.673) 7.699 9.032 ( -4.027 -0.451 13.748) 14.332 9.081 ( 6.171 5.278 10.753) 13.475 9.808 ( -9.464 -5.535 -19.197) 22.107 10.830 ( -10.368 1.651 17.313) 20.248 12.306 ( 7.523 0.573 7.924) 10.941 12.363 ( 6.082 2.448 -6.163) 8.998 12.862 ( -5.934 0.055 -12.723) 14.039 13.580 ( -6.714 -5.444 6.489) 10.809 13.892 ( -0.463 -1.302 -0.602) 1.508 13.972 ( 3.236 -1.927 -2.863) 4.731 15.233 ( -7.583 2.852 1.662) 8.271 15.852 ( 6.556 6.484 -1.147) 9.292 16.982 ( 8.154 -0.784 1.858) 8.399 17.099 ( 3.912 4.172 4.153) 7.068 19.695 ( 3.882 -2.348 -6.029) 7.545 19.791 ( -1.735 -4.510 -0.060) 4.833 19.909 ( 1.112 0.490 -0.268) 1.244 20.164 ( -0.273 4.477 5.400) 7.020 ======================= Grid point 22 (16/189) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -26.117 -12.122 -7.799) 29.831 2.786 ( -33.789 -5.394 1.446) 34.248 4.036 ( 6.978 1.483 -0.808) 7.179 4.828 ( -8.083 -7.072 -9.155) 14.113 5.251 ( -12.436 -2.765 4.568) 13.534 5.348 ( -3.256 2.935 -0.447) 4.406 6.005 ( 8.876 11.877 6.257) 16.093 7.077 ( 7.638 -19.822 -1.198) 21.276 7.747 ( -3.105 6.008 -9.878) 11.971 7.934 ( -2.256 -0.882 0.152) 2.427 8.269 ( 5.643 4.754 -12.980) 14.930 8.724 ( 3.213 -1.311 -2.971) 4.568 8.974 ( -7.885 1.113 8.718) 11.807 9.300 ( 6.549 0.257 5.626) 8.637 9.520 ( -5.688 -2.990 -14.057) 15.456 10.721 ( -16.332 2.730 13.296) 21.236 12.200 ( -10.438 -8.076 -12.754) 18.354 12.539 ( 5.764 -1.344 6.615) 8.877 12.741 ( -1.303 5.189 -2.671) 5.980 13.334 ( -12.657 -7.873 -4.822) 15.667 13.877 ( -4.353 1.753 6.467) 7.990 14.202 ( 24.250 4.089 -4.939) 25.084 15.218 ( -1.115 4.022 4.765) 6.334 16.000 ( 5.300 4.746 -0.005) 7.114 17.091 ( 2.867 -0.180 -2.688) 3.934 17.260 ( 9.384 2.397 5.767) 11.272 19.701 ( 1.939 1.233 -7.182) 7.541 19.721 ( -0.936 -6.526 3.150) 7.307 19.936 ( 2.029 -0.055 -0.060) 2.030 20.225 ( -1.128 3.670 4.961) 6.273 ======================= Grid point 23 (17/189) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -29.636 -8.666 -6.498) 31.554 2.148 ( -38.424 -3.197 0.749) 38.564 3.807 ( -65.944 -14.153 -8.550) 67.986 4.201 ( 10.224 1.898 0.085) 10.399 5.373 ( 18.403 -0.109 1.101) 18.436 5.652 ( 14.892 7.185 3.721) 16.948 6.284 ( 6.926 7.321 2.178) 10.311 7.048 ( 6.546 -12.465 3.531) 14.515 7.593 ( -12.710 3.904 -8.006) 15.520 7.908 ( 0.047 1.397 -6.572) 6.719 8.342 ( 4.884 0.330 -3.722) 6.150 8.660 ( -6.973 -5.212 3.093) 9.239 8.964 ( -0.571 7.725 -2.022) 8.006 9.285 ( 3.181 -8.230 -7.588) 11.637 9.519 ( 5.084 3.003 2.362) 6.360 10.505 ( -20.452 2.521 8.132) 22.153 11.790 ( -16.750 -8.762 -11.844) 22.307 12.500 ( -3.074 -3.046 -2.118) 4.818 12.829 ( -10.312 3.568 7.297) 13.127 13.117 ( 6.150 -2.726 -5.352) 8.596 13.845 ( -5.783 1.705 4.367) 7.444 14.707 ( 31.773 5.156 -2.909) 32.319 15.311 ( 3.799 2.829 5.431) 7.206 16.118 ( 4.136 2.675 0.463) 4.947 17.040 ( -5.681 -1.500 -1.874) 6.167 17.493 ( 12.032 1.593 2.327) 12.358 19.661 ( 0.092 -2.065 -3.750) 4.282 19.708 ( 0.270 -1.829 1.569) 2.425 19.976 ( 2.772 0.197 -0.216) 2.787 20.255 ( -2.202 2.413 3.899) 5.086 ======================= Grid point 24 (18/189) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -32.224 0.000 0.000) 32.224 1.463 ( -42.010 0.000 0.000) 42.010 2.520 ( -73.653 0.000 0.000) 73.653 4.380 ( 9.192 -0.000 -0.000) 9.192 5.707 ( 20.432 -0.000 -0.000) 20.432 5.983 ( 17.604 -0.000 -0.000) 17.604 6.394 ( 3.156 -0.000 -0.000) 3.156 7.066 ( -0.524 0.000 0.000) 0.524 7.327 ( -17.409 0.000 0.000) 17.409 7.885 ( 0.105 -0.000 -0.000) 0.105 8.369 ( -0.135 0.000 0.000) 0.135 8.494 ( -9.481 0.000 0.000) 9.481 9.051 ( 7.370 -0.000 -0.000) 7.370 9.290 ( 4.799 -0.000 -0.000) 4.799 9.651 ( 7.344 -0.000 -0.000) 7.344 10.193 ( -21.509 0.000 0.000) 21.509 11.421 ( -15.439 0.000 0.000) 15.439 12.426 ( -2.621 0.000 0.000) 2.621 12.614 ( -13.306 0.000 0.000) 13.306 13.298 ( 11.565 -0.000 -0.000) 11.565 13.769 ( -5.773 0.000 0.000) 5.773 15.267 ( 32.137 -0.000 -0.000) 32.137 15.431 ( 5.546 -0.000 -0.000) 5.546 16.190 ( 2.806 -0.000 -0.000) 2.806 16.868 ( -12.614 0.000 0.000) 12.614 17.693 ( 9.664 -0.000 -0.000) 9.664 19.644 ( 1.049 -0.000 -0.000) 1.049 19.699 ( -0.760 0.000 0.000) 0.760 20.024 ( 2.668 -0.000 -0.000) 2.668 20.241 ( -2.682 0.000 0.000) 2.682 ======================= Grid point 27 (19/189) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -0.000 26.968 26.950) 38.126 1.973 ( -0.000 36.049 19.655) 41.059 3.105 ( -0.000 58.500 25.599) 63.855 4.332 ( 0.000 -8.753 0.039) 8.753 5.288 ( 0.000 -17.928 -16.278) 24.215 6.171 ( 0.000 -15.495 5.050) 16.297 6.226 ( 0.000 -0.612 -6.618) 6.646 6.743 ( 0.000 2.490 -14.591) 14.802 7.666 ( -0.000 2.495 16.879) 17.063 8.160 ( 0.000 -11.450 -9.728) 15.024 8.459 ( -0.000 -4.416 15.076) 15.709 8.836 ( -0.000 3.062 22.896) 23.100 8.937 ( -0.000 -6.276 4.296) 7.606 9.490 ( -0.000 -0.491 11.588) 11.598 9.602 ( 0.000 0.165 -2.200) 2.206 10.607 ( -0.000 19.363 12.877) 23.254 11.291 ( 0.000 -2.590 0.677) 2.677 12.425 ( -0.000 1.857 -0.404) 1.900 12.607 ( -0.000 12.630 -5.386) 13.730 13.257 ( 0.000 -12.090 0.934) 12.126 14.142 ( -0.000 15.491 13.878) 20.799 15.031 ( 0.000 -31.376 -1.461) 31.410 15.290 ( 0.000 7.036 -11.846) 13.778 16.321 ( -0.000 -2.263 9.943) 10.197 16.974 ( -0.000 9.777 4.818) 10.900 17.593 ( 0.000 -9.840 -4.959) 11.019 19.181 ( 0.000 -7.687 -15.703) 17.483 19.730 ( 0.000 4.508 -3.805) 5.899 20.001 ( 0.000 -3.835 0.207) 3.841 20.307 ( -0.000 5.151 -1.681) 5.418 ======================= Grid point 28 (20/189) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 1.255 23.009 28.362) 36.543 2.423 ( 2.757 34.705 12.655) 37.043 4.051 ( 27.466 48.660 22.236) 60.138 4.221 ( -3.480 -7.847 1.343) 8.688 5.026 ( -0.716 -13.227 -14.874) 19.918 5.862 ( -14.710 -8.802 0.414) 17.147 6.289 ( 3.295 -8.235 -0.069) 8.870 6.630 ( -0.885 -0.430 -15.753) 15.784 7.809 ( 4.415 -4.666 8.758) 10.861 7.952 ( 0.779 -15.182 -7.010) 16.740 8.510 ( -0.276 -6.433 17.755) 18.886 8.800 ( -5.754 10.164 4.537) 12.530 9.123 ( 6.343 -5.338 9.032) 12.260 9.473 ( -9.308 2.025 8.303) 12.637 9.671 ( 2.500 5.067 11.743) 13.032 10.679 ( -12.745 18.352 2.954) 22.537 11.565 ( 25.844 -0.138 0.321) 25.846 12.442 ( -0.059 0.344 -3.873) 3.888 12.685 ( 2.602 5.472 -8.110) 10.124 13.190 ( 1.432 -2.276 5.811) 6.404 14.288 ( -10.513 17.424 13.951) 24.673 14.659 ( -5.596 -34.075 2.326) 34.610 15.273 ( -3.666 7.802 -7.538) 11.451 16.311 ( -5.918 -1.868 10.994) 12.624 17.121 ( 3.468 5.074 6.120) 8.674 17.396 ( -6.866 -10.744 -7.196) 14.641 19.119 ( 11.776 -7.443 -16.167) 21.341 19.756 ( 0.907 4.844 -4.694) 6.806 19.954 ( -0.861 -4.724 0.709) 4.854 20.312 ( -2.665 3.495 -1.373) 4.605 ======================= Grid point 29 (21/189) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( 3.004 20.015 24.450) 31.740 2.892 ( 9.063 27.849 7.772) 30.300 4.112 ( -3.574 -4.559 3.874) 6.969 4.709 ( 3.023 -11.771 -4.777) 13.059 5.213 ( 27.288 37.957 8.525) 47.519 5.539 ( -14.982 -8.415 1.056) 17.216 6.101 ( -13.645 -3.792 -3.005) 14.477 6.625 ( 13.521 -7.053 -8.674) 17.544 7.615 ( 0.527 -19.999 -17.879) 26.831 8.015 ( 5.248 -4.535 13.240) 14.946 8.565 ( 1.586 -5.142 16.519) 17.373 8.906 ( 1.241 11.422 3.133) 11.909 9.111 ( -5.227 -5.311 4.966) 8.955 9.358 ( -13.471 4.243 6.470) 15.535 9.905 ( 6.009 7.137 19.182) 21.331 10.654 ( -8.725 14.366 -5.636) 17.728 11.976 ( 21.780 0.229 -3.451) 22.053 12.294 ( -6.677 -4.465 -13.870) 16.028 12.779 ( 9.313 -0.281 1.431) 9.427 13.328 ( 4.356 7.906 4.908) 10.275 14.250 ( -6.731 -28.055 7.713) 29.865 14.350 ( -12.951 14.917 12.440) 23.346 15.246 ( -3.824 8.203 -3.464) 9.691 16.243 ( -8.626 -0.729 11.164) 14.127 17.073 ( -10.171 -10.565 -9.936) 17.714 17.247 ( 1.048 0.305 6.340) 6.434 19.187 ( 14.883 -6.259 -15.033) 22.061 19.795 ( 1.766 5.141 -5.682) 7.864 19.898 ( -0.734 -5.585 2.027) 5.987 20.279 ( -3.639 2.284 -0.755) 4.363 ======================= Grid point 30 (22/189) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.084 ( 6.899 15.531 18.542) 25.152 3.335 ( 11.157 20.690 4.158) 23.871 4.061 ( -3.324 -2.591 5.601) 7.010 4.582 ( 1.712 -8.120 -3.306) 8.933 5.199 ( -17.304 -9.499 2.036) 19.845 5.502 ( -17.150 -2.637 -8.587) 19.360 6.293 ( 24.686 20.186 2.931) 32.023 6.841 ( 22.182 -0.857 3.446) 22.465 7.328 ( 4.465 -22.115 -19.894) 30.080 8.119 ( 1.605 1.099 8.247) 8.474 8.652 ( 1.936 -5.299 12.360) 13.587 8.956 ( -9.577 -4.488 4.371) 11.444 9.042 ( -0.005 5.568 4.146) 6.942 9.192 ( -17.627 8.538 7.328) 20.911 10.218 ( 8.198 7.730 17.626) 20.920 10.578 ( -7.018 7.260 -9.421) 13.810 11.978 ( -5.167 -5.102 -16.919) 18.412 12.289 ( 11.390 -0.983 -5.020) 12.486 12.973 ( 11.186 -0.047 4.798) 12.172 13.446 ( -2.006 6.485 0.293) 6.794 13.971 ( -1.639 -20.933 6.942) 22.115 14.380 ( -10.663 10.640 16.912) 22.648 15.282 ( -0.354 10.451 -1.683) 10.591 16.144 ( -11.606 -0.714 10.562) 15.709 16.752 ( -6.981 -5.778 -14.222) 16.864 17.263 ( -3.121 -3.350 8.146) 9.344 19.289 ( 13.912 -4.652 -13.136) 19.691 19.841 ( 2.670 4.906 -8.124) 9.859 19.853 ( -0.277 -5.684 5.134) 7.665 20.230 ( -4.100 1.285 0.379) 4.313 ======================= Grid point 31 (23/189) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.449 ( 9.805 10.450 13.542) 19.716 3.666 ( 5.350 7.849 -0.748) 9.528 3.992 ( -2.446 0.648 3.547) 4.357 4.619 ( -1.158 -0.695 6.688) 6.824 4.816 ( -13.116 -5.013 -0.219) 14.042 5.100 ( -15.585 -6.102 -7.784) 18.458 6.712 ( 20.499 -2.624 -7.040) 21.832 7.023 ( 7.518 -25.885 -13.436) 30.118 7.502 ( 28.463 17.028 5.422) 33.608 8.205 ( -0.059 8.030 1.729) 8.215 8.537 ( -15.494 -7.228 1.309) 17.147 8.783 ( -13.545 -3.786 5.495) 15.099 9.004 ( -5.552 4.152 7.719) 10.375 9.151 ( -7.725 7.249 11.213) 15.426 10.352 ( -4.710 2.911 -17.484) 18.340 10.619 ( 7.432 3.705 20.225) 21.863 11.811 ( 2.586 0.031 -16.581) 16.782 12.328 ( 0.523 -6.113 -1.056) 6.226 13.194 ( 6.990 5.767 2.429) 9.382 13.408 ( -4.395 1.745 0.683) 4.778 13.880 ( 4.311 -11.528 3.320) 12.748 14.363 ( -11.144 0.131 15.456) 19.055 15.410 ( 4.055 10.563 -1.313) 11.390 15.935 ( -16.676 -1.683 3.894) 17.207 16.635 ( 3.496 3.216 -10.090) 11.152 17.189 ( -6.467 -5.415 9.272) 12.534 19.390 ( 11.712 -3.334 -11.149) 16.510 19.825 ( 0.933 -6.814 5.138) 8.585 19.889 ( 1.870 5.725 -7.858) 9.901 20.181 ( -3.609 0.898 2.429) 4.442 ======================= Grid point 32 (24/189) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.508 ( -14.635 -9.302 -2.380) 17.503 3.760 ( 8.528 5.543 9.360) 13.822 4.176 ( 6.705 8.065 -2.898) 10.881 4.265 ( -20.534 -5.059 2.053) 21.247 4.824 ( -5.260 -4.192 -1.612) 6.917 5.019 ( 13.174 12.477 8.231) 19.924 6.801 ( 9.194 -25.521 -14.024) 30.537 6.970 ( 19.182 -7.847 -6.110) 21.607 7.991 ( -14.434 1.045 -2.691) 14.720 8.151 ( 0.583 3.337 -0.491) 3.423 8.296 ( 0.397 10.530 -2.150) 10.755 8.532 ( -13.691 0.029 4.276) 14.343 9.058 ( -4.188 8.364 8.871) 12.892 9.143 ( -3.886 -1.888 12.434) 13.163 10.114 ( -7.807 -3.488 -19.455) 21.251 10.906 ( 5.582 3.354 19.268) 20.339 11.879 ( 13.868 4.051 -14.153) 20.225 12.257 ( -1.592 -4.570 4.346) 6.505 13.169 ( -11.811 7.387 -7.003) 15.592 13.523 ( 8.952 -0.906 10.843) 14.090 13.877 ( 3.062 -5.015 -3.307) 6.742 14.188 ( -12.637 -9.320 9.181) 18.189 15.545 ( -0.318 4.740 -4.083) 6.265 15.710 ( -8.680 5.881 3.044) 10.918 16.732 ( 7.412 4.097 -5.875) 10.307 17.098 ( -4.734 -3.757 9.842) 11.550 19.475 ( 9.180 -2.232 -8.925) 12.996 19.808 ( 0.696 -6.922 5.398) 8.805 19.908 ( 0.236 4.658 -7.669) 8.976 20.173 ( -1.093 1.768 3.976) 4.486 ======================= Grid point 33 (25/189) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.096 ( -21.269 -9.004 -2.745) 23.259 3.781 ( -25.281 -3.739 3.450) 25.788 3.922 ( 0.797 -0.002 0.854) 1.168 4.392 ( 12.302 2.423 -5.764) 13.800 4.888 ( 10.112 3.887 3.790) 11.477 5.463 ( 14.209 17.175 11.268) 24.977 6.624 ( 6.495 -23.949 -10.983) 27.136 6.991 ( -14.631 -11.702 -7.256) 20.091 7.536 ( -7.134 0.306 -1.081) 7.222 8.201 ( -9.281 0.711 -3.895) 10.090 8.273 ( -2.551 5.159 -4.774) 7.477 8.581 ( 5.472 7.121 -0.654) 9.004 9.079 ( -0.329 -5.455 6.886) 8.791 9.208 ( -2.132 8.641 13.135) 15.866 9.814 ( -9.448 -4.882 -16.153) 19.339 11.068 ( -2.477 2.573 14.462) 14.896 12.107 ( 15.137 2.868 -9.677) 18.194 12.293 ( 5.002 0.118 5.528) 7.456 12.983 ( -11.989 4.723 -4.917) 13.792 13.651 ( -2.637 -3.747 4.758) 6.606 13.806 ( -0.190 -4.508 -1.293) 4.693 13.983 ( -3.563 -6.022 1.023) 7.072 15.428 ( -10.052 3.852 -0.142) 10.766 15.811 ( 5.063 6.501 0.360) 8.248 16.846 ( 7.158 -0.084 -1.581) 7.331 17.111 ( 1.459 0.665 6.063) 6.272 19.547 ( 7.012 -0.923 -6.163) 9.381 19.769 ( -1.063 -5.424 1.988) 5.874 19.908 ( 0.023 2.047 -2.667) 3.362 20.219 ( 0.914 2.458 3.251) 4.177 ======================= Grid point 34 (26/189) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( -25.688 -5.777 -2.413) 26.439 3.299 ( -30.365 -2.045 1.215) 30.458 3.945 ( 3.447 -0.161 -0.569) 3.498 4.619 ( 15.310 -0.278 -2.219) 15.472 5.161 ( 14.078 3.963 2.086) 14.773 5.812 ( -13.395 7.172 5.026) 16.004 6.196 ( -25.930 3.692 2.821) 26.343 6.639 ( 12.617 -21.231 -10.612) 26.880 7.673 ( 11.755 1.015 -0.656) 11.817 8.029 ( -7.990 -1.336 0.842) 8.145 8.227 ( -3.631 5.090 -8.079) 10.216 8.673 ( 1.760 1.947 -1.322) 2.939 9.073 ( 1.868 -3.703 3.835) 5.648 9.314 ( -4.324 3.556 9.532) 11.054 9.536 ( -6.944 -2.468 -11.426) 13.597 11.055 ( -10.540 2.670 8.534) 13.822 12.194 ( -1.457 -1.996 -7.464) 7.862 12.458 ( 8.733 0.739 4.171) 9.706 12.828 ( -7.294 2.947 -1.283) 7.971 13.455 ( -10.998 -5.142 -2.726) 12.443 13.871 ( 11.277 -1.449 0.976) 11.412 13.950 ( 0.597 0.114 0.384) 0.719 15.333 ( -5.921 3.048 1.610) 6.851 15.950 ( 5.568 3.263 0.100) 6.455 16.974 ( 8.751 -0.303 -0.220) 8.759 17.192 ( 3.938 0.683 2.434) 4.680 19.617 ( 5.146 0.678 -3.774) 6.418 19.704 ( -2.005 -3.855 0.958) 4.450 19.917 ( 0.662 0.435 -0.208) 0.819 20.274 ( 0.915 1.772 2.002) 2.826 ======================= Grid point 35 (27/189) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -28.924 0.000 0.000) 28.924 2.749 ( -34.763 0.000 0.000) 34.763 4.046 ( 8.569 -0.000 -0.000) 8.569 4.663 ( -29.814 0.000 0.000) 29.814 5.215 ( -14.687 0.000 0.000) 14.687 5.436 ( 15.362 -0.000 -0.000) 15.362 6.258 ( 3.937 -0.000 -0.000) 3.937 6.766 ( 16.925 -0.000 -0.000) 16.925 7.758 ( -4.093 0.000 0.000) 4.093 7.932 ( -3.838 0.000 0.000) 3.838 8.226 ( 5.344 -0.000 -0.000) 5.344 8.688 ( -0.037 0.000 0.000) 0.037 9.134 ( 4.316 -0.000 -0.000) 4.316 9.156 ( -12.701 0.000 0.000) 12.701 9.484 ( 1.719 -0.000 -0.000) 1.719 10.867 ( -17.018 0.000 0.000) 17.018 11.987 ( -15.181 0.000 0.000) 15.181 12.535 ( -1.836 0.000 0.000) 1.836 12.868 ( 9.935 -0.000 -0.000) 9.935 13.173 ( -17.466 0.000 0.000) 17.466 13.940 ( -2.764 0.000 0.000) 2.764 14.211 ( 27.626 -0.000 -0.000) 27.626 15.305 ( -0.136 0.000 0.000) 0.136 16.056 ( 5.106 -0.000 -0.000) 5.106 17.070 ( 1.517 -0.000 -0.000) 1.517 17.313 ( 10.045 -0.000 -0.000) 10.045 19.654 ( -1.637 0.000 0.000) 1.637 19.678 ( 2.840 -0.000 -0.000) 2.840 19.937 ( 1.747 -0.000 -0.000) 1.747 20.297 ( -0.263 0.000 0.000) 0.263 ======================= Grid point 40 (28/189) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( -0.000 21.873 21.202) 30.462 2.867 ( -0.000 32.171 18.357) 37.040 4.191 ( 0.000 -6.732 3.036) 7.384 4.387 ( -0.000 35.454 17.883) 39.709 4.858 ( 0.000 2.689 -12.583) 12.867 5.903 ( 0.000 -17.592 3.065) 17.857 6.129 ( 0.000 -1.594 -5.027) 5.274 6.570 ( 0.000 -1.245 -15.463) 15.513 7.658 ( 0.000 -22.573 -16.489) 27.954 7.809 ( -0.000 -7.190 14.938) 16.579 8.570 ( -0.000 -2.893 14.259) 14.550 8.885 ( -0.000 -4.100 3.529) 5.410 9.135 ( -0.000 6.124 7.218) 9.466 9.724 ( -0.000 6.303 17.759) 18.844 9.743 ( -0.000 9.003 9.196) 12.869 11.098 ( -0.000 16.984 9.345) 19.385 11.221 ( 0.000 -0.404 -7.547) 7.557 12.448 ( 0.000 2.402 -2.686) 3.604 12.597 ( 0.000 -4.833 -14.387) 15.177 13.238 ( -0.000 7.788 8.835) 11.778 14.379 ( 0.000 -34.968 3.500) 35.142 14.633 ( -0.000 16.097 13.696) 21.135 15.339 ( 0.000 7.851 -5.956) 9.855 16.415 ( -0.000 -4.297 15.090) 15.690 17.179 ( -0.000 4.559 6.277) 7.758 17.316 ( 0.000 -9.685 -7.887) 12.490 18.841 ( 0.000 -5.953 -17.260) 18.258 19.760 ( 0.000 4.668 -6.390) 7.914 19.918 ( 0.000 -5.386 1.434) 5.573 20.343 ( 0.000 1.224 -2.135) 2.461 ======================= Grid point 41 (29/189) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.981 ( 3.290 17.146 18.371) 25.344 3.215 ( -5.298 29.881 14.488) 33.628 4.149 ( -1.893 -3.144 5.667) 6.751 4.526 ( 2.183 -10.269 -4.903) 11.587 5.271 ( 16.557 41.419 6.694) 45.105 5.649 ( -9.772 -13.962 0.854) 17.063 6.167 ( 4.080 -1.677 -0.528) 4.443 6.389 ( -3.504 -5.583 -13.620) 15.131 7.288 ( -2.055 -25.354 -19.245) 31.897 7.904 ( 8.892 -8.687 12.679) 17.756 8.622 ( -0.932 -2.286 13.835) 14.054 8.915 ( 4.036 -0.043 2.478) 4.736 9.191 ( -2.970 2.419 3.361) 5.096 9.727 ( -13.409 9.166 13.379) 21.043 10.018 ( 5.157 9.392 18.074) 21.011 10.935 ( -14.410 8.252 -4.804) 17.286 11.603 ( 22.214 5.526 -0.853) 22.907 12.286 ( -8.623 -6.544 -13.672) 17.438 12.600 ( 10.341 -1.908 -3.724) 11.155 13.424 ( 1.455 14.021 8.284) 16.351 14.063 ( -2.202 -30.921 5.353) 31.458 14.777 ( -9.154 13.961 12.479) 20.843 15.359 ( -2.451 7.753 -3.199) 8.738 16.424 ( -4.840 -4.210 15.759) 17.015 17.089 ( -9.604 -7.992 -9.459) 15.671 17.271 ( 1.433 1.251 6.553) 6.823 18.797 ( 12.305 -4.737 -16.316) 20.977 19.767 ( 1.382 3.406 -7.942) 8.751 19.875 ( -0.654 -4.831 2.879) 5.662 20.322 ( -1.379 0.022 -2.034) 2.457 ======================= Grid point 42 (30/189) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.290 ( 4.129 11.708 15.859) 20.140 3.477 ( -2.641 24.895 7.920) 26.257 4.138 ( -3.135 -0.812 7.345) 8.027 4.458 ( 3.569 -4.522 -1.434) 5.936 5.342 ( -11.648 -11.659 -0.569) 16.490 5.697 ( -9.614 4.217 -7.110) 12.679 6.137 ( 6.955 3.318 -4.904) 9.134 6.548 ( 21.958 10.941 8.432) 25.941 6.904 ( 2.380 -24.636 -22.619) 33.529 8.063 ( 9.571 -5.272 9.196) 14.282 8.677 ( -0.213 -1.413 11.633) 11.721 9.004 ( 3.144 -2.555 5.076) 6.495 9.141 ( -6.097 2.697 0.707) 6.704 9.641 ( -17.017 10.693 11.709) 23.260 10.307 ( 5.140 8.907 18.817) 21.443 10.736 ( -12.183 3.505 -9.061) 15.583 11.876 ( 2.803 -2.523 -14.231) 14.722 12.066 ( 6.687 -1.494 -6.404) 9.379 12.781 ( 13.617 -1.054 1.088) 13.701 13.596 ( -2.890 12.850 5.190) 14.157 13.810 ( -0.302 -23.295 6.609) 24.216 14.776 ( -12.862 8.244 13.475) 20.371 15.387 ( -1.663 9.328 -2.395) 9.773 16.386 ( -7.777 -2.685 16.098) 18.078 16.760 ( -11.704 -4.626 -14.084) 18.887 17.316 ( -1.019 -2.181 7.205) 7.596 18.913 ( 16.155 -3.280 -13.585) 21.361 19.767 ( 2.250 -0.640 -6.295) 6.715 19.853 ( -0.024 -1.027 1.902) 2.162 20.280 ( -1.979 -0.571 -1.246) 2.408 ======================= Grid point 43 (31/189) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.535 ( 4.610 6.134 10.898) 13.328 3.700 ( -0.017 16.275 3.873) 16.729 4.090 ( -5.165 0.383 5.106) 7.273 4.597 ( 9.034 6.522 7.387) 13.369 5.015 ( -15.380 -10.004 0.038) 18.347 5.288 ( -21.472 -6.954 -8.598) 24.152 6.318 ( 17.082 -4.793 -6.129) 18.771 6.544 ( 5.822 -27.190 -20.086) 34.302 7.258 ( 27.029 20.751 6.775) 34.743 8.223 ( 6.918 0.873 4.610) 8.359 8.676 ( -5.905 -3.849 6.178) 9.373 8.952 ( -9.138 -2.287 4.783) 10.565 9.132 ( 0.174 2.083 5.535) 5.917 9.532 ( -16.827 10.701 10.576) 22.573 10.416 ( -12.271 2.065 -14.281) 18.942 10.645 ( 6.816 2.554 18.008) 19.424 11.682 ( -1.478 -3.277 -17.875) 18.233 12.208 ( 7.118 -1.467 -2.553) 7.703 13.044 ( 16.062 0.839 3.902) 16.550 13.614 ( -10.507 10.061 1.230) 14.599 13.704 ( 4.490 -13.972 5.522) 15.680 14.669 ( -14.731 -1.186 12.888) 19.609 15.454 ( 0.867 8.948 -2.593) 9.356 16.242 ( -17.274 -1.630 8.178) 19.181 16.567 ( 0.928 2.652 -9.456) 9.865 17.281 ( -4.381 -4.474 7.127) 9.487 19.076 ( 14.863 -1.962 -10.276) 18.175 19.758 ( 2.249 -3.943 -1.001) 4.648 19.871 ( 1.177 2.379 -2.427) 3.597 20.236 ( -1.986 -0.641 0.125) 2.090 ======================= Grid point 44 (32/189) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.604 ( -5.099 -4.563 -0.746) 6.883 3.828 ( -0.962 9.150 11.930) 15.066 4.136 ( 3.391 7.605 -2.231) 8.620 4.597 ( -22.386 -6.338 2.457) 23.396 4.884 ( -9.242 -5.116 -3.424) 11.105 4.974 ( 12.170 11.443 8.834) 18.897 6.287 ( 9.017 -25.933 -18.579) 33.151 6.548 ( 19.667 -4.808 -4.641) 20.771 7.858 ( 21.103 11.206 2.924) 24.072 8.357 ( 2.009 7.995 -3.022) 8.780 8.454 ( -18.109 -5.710 5.110) 19.664 8.758 ( -12.464 -3.219 2.169) 13.054 9.233 ( -0.114 6.276 9.123) 11.074 9.388 ( -16.944 4.301 11.286) 20.808 10.096 ( -9.510 -4.255 -18.664) 21.375 10.923 ( 8.186 2.577 16.553) 18.645 11.621 ( 8.662 0.640 -14.870) 17.221 12.236 ( 1.206 -2.900 0.606) 3.198 13.358 ( 14.572 3.182 5.155) 15.781 13.477 ( -14.140 5.808 -0.192) 15.288 13.734 ( 6.086 -4.448 0.699) 7.571 14.403 ( -17.956 -10.149 7.596) 21.980 15.543 ( 2.564 5.856 -2.922) 7.028 15.989 ( -15.526 3.097 2.557) 16.037 16.633 ( 5.588 3.784 -3.722) 7.707 17.193 ( -5.272 -4.164 6.479) 9.333 19.234 ( 12.071 -1.003 -6.886) 13.933 19.756 ( 1.837 -4.352 1.754) 5.039 19.896 ( 0.979 2.778 -4.215) 5.143 20.212 ( -0.780 -0.034 1.445) 1.643 ======================= Grid point 45 (33/189) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.350 ( -17.171 -4.100 -0.746) 17.669 3.961 ( -1.445 3.672 6.638) 7.722 4.153 ( -13.977 -1.835 2.114) 14.254 4.235 ( -3.299 -0.244 -7.938) 8.600 4.794 ( 4.582 0.112 1.481) 4.817 5.458 ( 16.914 18.448 13.357) 28.370 6.109 ( 11.314 -24.099 -16.146) 31.136 6.810 ( 17.223 -3.053 -2.332) 17.646 7.957 ( -30.710 -0.708 -0.402) 30.720 8.221 ( 8.165 3.016 -1.025) 8.764 8.370 ( -9.102 0.651 -0.644) 9.148 8.624 ( -1.572 3.761 1.235) 4.260 9.139 ( -11.030 -3.505 3.091) 11.980 9.410 ( -1.755 8.450 12.528) 15.213 9.809 ( -7.471 -5.517 -14.355) 17.098 11.132 ( 4.716 1.036 8.738) 9.983 11.795 ( 17.532 1.864 -7.345) 19.100 12.248 ( 2.483 -1.001 1.896) 3.281 13.262 ( -16.319 4.772 -0.609) 17.013 13.619 ( 8.326 -0.215 4.406) 9.422 13.796 ( 2.555 2.888 -2.522) 4.607 14.024 ( -14.950 -12.164 2.140) 19.392 15.576 ( -3.056 2.381 -1.752) 4.252 15.857 ( -5.151 3.810 1.750) 6.642 16.735 ( 5.510 0.974 -1.665) 5.837 17.138 ( -1.575 -1.234 3.793) 4.289 19.374 ( 9.450 -0.305 -3.426) 10.056 19.748 ( 0.127 -2.883 1.269) 3.153 19.906 ( 0.394 1.436 -2.301) 2.740 20.228 ( 1.088 0.583 1.307) 1.798 ======================= Grid point 46 (34/189) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( -22.804 0.000 0.000) 22.804 3.762 ( -25.839 0.000 0.000) 25.839 3.934 ( -2.800 0.000 0.000) 2.800 4.364 ( 13.631 -0.000 -0.000) 13.631 4.962 ( 12.261 -0.000 -0.000) 12.261 5.950 ( 4.250 -0.000 -0.000) 4.250 6.062 ( 23.492 -0.000 -0.000) 23.492 6.835 ( -22.598 0.000 0.000) 22.598 7.536 ( -5.277 0.000 0.000) 5.277 8.179 ( -10.859 0.000 0.000) 10.859 8.294 ( -1.386 0.000 0.000) 1.386 8.666 ( 1.018 -0.000 -0.000) 1.018 9.025 ( -0.506 0.000 0.000) 0.506 9.495 ( -1.416 0.000 0.000) 1.416 9.565 ( -10.098 0.000 0.000) 10.098 11.194 ( -1.637 0.000 0.000) 1.637 12.065 ( 13.660 -0.000 -0.000) 13.660 12.332 ( 7.107 -0.000 -0.000) 7.107 13.025 ( -14.115 0.000 0.000) 14.115 13.580 ( -9.800 0.000 0.000) 9.800 13.807 ( -1.404 0.000 0.000) 1.404 13.904 ( 4.316 -0.000 -0.000) 4.316 15.476 ( -8.225 0.000 0.000) 8.225 15.884 ( 3.782 -0.000 -0.000) 3.782 16.834 ( 7.173 -0.000 -0.000) 7.173 17.154 ( 2.030 -0.000 -0.000) 2.030 19.502 ( 7.393 -0.000 -0.000) 7.393 19.722 ( -1.703 0.000 0.000) 1.703 19.911 ( 0.309 -0.000 -0.000) 0.309 20.263 ( 1.799 -0.000 -0.000) 1.799 ======================= Grid point 53 (35/189) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( -0.000 13.003 11.040) 17.057 3.651 ( -0.000 26.843 15.941) 31.220 4.193 ( -0.000 0.553 8.392) 8.410 4.393 ( 0.000 -7.717 -3.016) 8.285 5.533 ( -0.000 32.430 0.912) 32.443 5.581 ( 0.000 -17.147 -0.248) 17.149 6.118 ( -0.000 8.261 3.295) 8.894 6.302 ( 0.000 -6.962 -15.949) 17.403 6.952 ( 0.000 -26.202 -18.154) 31.877 7.784 ( -0.000 -12.448 12.192) 17.424 8.699 ( -0.000 -0.643 11.922) 11.940 8.891 ( -0.000 1.123 1.997) 2.291 9.256 ( -0.000 1.600 2.138) 2.670 10.098 ( -0.000 9.326 14.537) 17.271 10.108 ( -0.000 10.076 18.164) 20.772 11.091 ( 0.000 -1.367 -9.972) 10.065 11.475 ( -0.000 13.572 3.147) 13.932 12.205 ( 0.000 -13.981 -14.564) 20.189 12.447 ( 0.000 2.222 -4.567) 5.079 13.628 ( -0.000 17.402 9.447) 19.801 13.830 ( 0.000 -27.042 5.584) 27.612 15.038 ( -0.000 10.011 9.164) 13.572 15.430 ( -0.000 6.023 -1.376) 6.179 16.500 ( -0.000 -7.286 14.472) 16.203 17.082 ( 0.000 -3.246 -6.820) 7.553 17.310 ( -0.000 0.768 6.762) 6.806 18.542 ( 0.000 -3.280 -15.969) 16.302 19.723 ( 0.000 0.430 -7.632) 7.644 19.860 ( -0.000 -2.666 2.198) 3.455 20.311 ( 0.000 -1.216 -2.460) 2.745 ======================= Grid point 54 (36/189) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.363 ( 3.485 6.937 5.076) 9.275 3.910 ( -8.062 23.762 13.623) 28.552 4.243 ( -3.347 1.338 8.472) 9.207 4.376 ( 4.104 0.465 3.353) 5.320 5.362 ( -6.237 -13.501 -1.811) 14.982 5.758 ( 3.446 7.376 -6.799) 10.607 6.061 ( -5.715 -10.181 -12.574) 17.159 6.443 ( 10.226 12.395 4.877) 16.793 6.555 ( 0.102 -13.889 -14.724) 20.241 7.843 ( 11.979 -11.425 9.159) 18.919 8.759 ( -0.994 0.865 9.929) 10.016 8.952 ( 3.618 1.070 2.615) 4.591 9.246 ( -3.497 0.713 0.641) 3.626 10.084 ( -14.656 9.386 12.588) 21.479 10.420 ( 5.599 8.008 18.824) 21.209 10.907 ( -11.372 -0.077 -8.632) 14.277 11.696 ( 8.359 5.317 -10.520) 14.450 11.952 ( -1.315 -8.625 -6.878) 11.110 12.545 ( 11.391 -0.307 -2.866) 11.750 13.635 ( 0.335 -20.187 5.743) 20.991 13.831 ( -2.696 16.151 7.974) 18.213 15.087 ( -8.282 4.286 8.203) 12.420 15.472 ( -0.773 6.050 -1.135) 6.204 16.492 ( -1.023 -6.521 10.020) 11.999 16.908 ( -14.018 0.101 -4.876) 14.842 17.352 ( -0.308 -0.982 5.964) 6.052 18.550 ( 13.391 -1.876 -12.700) 18.551 19.687 ( 1.397 -1.501 -5.755) 6.109 19.853 ( 0.096 -0.815 1.035) 1.321 20.278 ( -0.530 -1.538 -2.003) 2.580 ======================= Grid point 55 (37/189) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.501 ( 5.709 1.813 1.341) 6.138 4.036 ( -10.194 18.304 11.407) 23.855 4.222 ( -4.995 2.045 4.999) 7.356 4.570 ( 8.458 8.031 9.250) 14.886 5.113 ( -8.952 -9.254 -2.031) 13.035 5.558 ( -21.319 -4.744 -6.602) 22.816 5.992 ( 12.110 -4.900 -5.235) 14.074 6.097 ( 0.423 -25.623 -19.987) 32.500 7.081 ( 22.574 20.362 5.353) 30.869 8.034 ( 15.058 -6.666 5.307) 17.302 8.780 ( -4.209 0.777 5.114) 6.669 9.053 ( 2.928 -0.619 7.840) 8.392 9.171 ( -4.579 1.278 -1.988) 5.153 9.975 ( -16.395 8.954 9.816) 21.103 10.600 ( -17.414 -2.533 -10.508) 20.495 10.688 ( 5.105 5.634 18.268) 19.787 11.563 ( -2.444 -5.521 -18.807) 19.752 12.056 ( 9.609 1.790 -0.564) 9.791 12.768 ( 17.074 -0.990 0.264) 17.104 13.539 ( 3.112 -12.029 4.443) 13.195 13.917 ( -8.701 12.379 5.059) 15.954 14.960 ( -13.912 -2.415 7.550) 16.012 15.508 ( -0.370 5.546 -2.059) 5.927 16.493 ( 0.131 -4.299 9.611) 10.530 16.608 ( -17.702 3.983 -7.795) 19.748 17.342 ( -2.781 -2.481 4.603) 5.923 18.738 ( 16.965 -0.775 -8.076) 18.805 19.674 ( 2.447 -2.240 -2.939) 4.432 19.862 ( 0.771 0.527 -0.293) 0.979 20.244 ( -0.702 -1.260 -0.988) 1.748 ======================= Grid point 56 (38/189) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.589 ( 2.906 -0.988 -0.200) 3.076 4.071 ( -8.145 7.639 11.492) 16.024 4.190 ( -4.095 4.736 -3.105) 6.989 4.850 ( -8.449 -3.705 -1.476) 9.343 4.922 ( 9.440 10.014 11.323) 17.821 5.082 ( -22.993 -4.849 -2.749) 23.659 5.821 ( 6.124 -19.465 -16.428) 26.197 6.181 ( 17.103 -2.619 -2.460) 17.476 7.618 ( 21.347 8.881 2.079) 23.214 8.258 ( 12.835 -0.843 1.644) 12.967 8.677 ( -10.686 -1.053 1.769) 10.882 8.959 ( -12.606 -1.018 1.552) 12.742 9.258 ( 7.085 2.428 4.149) 8.562 9.845 ( -17.753 8.010 11.919) 22.834 10.162 ( -18.810 -6.174 -15.081) 24.887 10.919 ( 5.770 2.667 12.774) 14.268 11.425 ( 3.609 -2.112 -12.706) 13.376 12.175 ( 4.346 -0.369 -0.406) 4.381 13.086 ( 20.103 0.254 1.297) 20.146 13.549 ( 4.576 -5.122 1.572) 7.046 13.852 ( -12.679 7.984 2.251) 15.152 14.674 ( -19.226 -5.958 3.817) 20.487 15.543 ( 1.010 3.216 -1.616) 3.738 16.301 ( -17.804 1.198 1.725) 17.928 16.563 ( 4.477 1.755 -1.386) 5.005 17.276 ( -4.851 -2.224 2.854) 6.052 18.968 ( 15.145 -0.245 -3.827) 15.623 19.689 ( 2.853 -1.769 -0.515) 3.397 19.880 ( 1.002 0.873 -1.067) 1.704 20.222 ( -0.412 -0.551 0.011) 0.688 ======================= Grid point 57 (39/189) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.545 ( -7.807 0.000 0.000) 7.807 4.096 ( -4.945 0.000 0.000) 4.945 4.105 ( 0.396 -0.000 -0.000) 0.396 4.544 ( -21.412 0.000 0.000) 21.412 4.798 ( -6.360 0.000 0.000) 6.360 5.317 ( 19.780 -0.000 -0.000) 19.780 5.752 ( 6.273 -0.000 -0.000) 6.273 6.470 ( 19.626 -0.000 -0.000) 19.626 7.983 ( 16.739 -0.000 -0.000) 16.739 8.423 ( -20.088 0.000 0.000) 20.088 8.427 ( 5.214 -0.000 -0.000) 5.214 8.736 ( -11.864 0.000 0.000) 11.864 9.348 ( -4.698 0.000 0.000) 4.698 9.606 ( -17.287 0.000 0.000) 17.287 9.838 ( -7.492 0.000 0.000) 7.492 11.070 ( 6.140 -0.000 -0.000) 6.140 11.515 ( 12.686 -0.000 -0.000) 12.686 12.216 ( 1.724 -0.000 -0.000) 1.724 13.415 ( 17.241 -0.000 -0.000) 17.241 13.525 ( -9.334 0.000 0.000) 9.334 13.754 ( -0.621 0.000 0.000) 0.621 14.298 ( -21.860 0.000 0.000) 21.860 15.579 ( 1.761 -0.000 -0.000) 1.761 16.050 ( -13.756 0.000 0.000) 13.756 16.650 ( 5.042 -0.000 -0.000) 5.042 17.193 ( -4.364 0.000 0.000) 4.364 19.182 ( 12.158 -0.000 -0.000) 12.158 19.721 ( 1.957 -0.000 -0.000) 1.957 19.896 ( 0.735 -0.000 -0.000) 0.735 20.220 ( 0.395 -0.000 -0.000) 0.395 ======================= Grid point 66 (40/189) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.393 ( -0.000 2.677 0.378) 2.703 4.269 ( -0.000 19.841 10.298) 22.354 4.333 ( -0.000 -0.092 3.457) 3.458 4.426 ( -0.000 7.741 13.931) 15.937 5.274 ( 0.000 -12.027 -2.295) 12.244 5.722 ( 0.000 2.019 -5.514) 5.872 5.874 ( 0.000 -16.058 -17.296) 23.601 6.332 ( 0.000 -15.500 -11.552) 19.331 6.616 ( -0.000 25.052 5.441) 25.636 7.652 ( 0.000 -13.473 8.006) 15.672 8.831 ( -0.000 0.840 8.183) 8.226 8.954 ( -0.000 2.620 0.992) 2.801 9.277 ( 0.000 -0.201 -0.226) 0.303 10.379 ( -0.000 5.044 7.102) 8.711 10.550 ( -0.000 9.274 21.885) 23.769 10.953 ( 0.000 -1.381 -6.463) 6.609 11.588 ( 0.000 0.742 -19.800) 19.814 11.849 ( 0.000 -6.231 2.434) 6.689 12.427 ( 0.000 1.233 -3.620) 3.824 13.496 ( 0.000 -14.041 4.360) 14.703 14.058 ( -0.000 14.464 7.364) 16.231 15.217 ( -0.000 0.459 4.015) 4.041 15.520 ( -0.000 3.516 0.426) 3.542 16.474 ( -0.000 -5.582 3.639) 6.663 17.050 ( -0.000 1.887 0.930) 2.104 17.380 ( -0.000 -0.797 4.774) 4.840 18.336 ( 0.000 -0.989 -10.167) 10.215 19.628 ( 0.000 -1.583 -4.298) 4.580 19.849 ( -0.000 -0.572 0.447) 0.726 20.254 ( 0.000 -1.503 -1.737) 2.296 ======================= Grid point 67 (41/189) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.434 ( 3.428 0.472 -0.598) 3.512 4.333 ( -3.003 0.902 3.536) 4.726 4.431 ( -8.541 14.695 6.843) 18.322 4.591 ( 4.044 5.600 9.666) 11.881 5.131 ( -4.180 -6.440 -1.715) 7.867 5.627 ( 0.244 -11.996 -11.327) 16.500 5.760 ( 6.444 -0.179 -4.212) 7.700 5.986 ( -18.325 -10.448 -6.553) 22.088 6.968 ( 13.901 14.764 2.333) 20.412 7.720 ( 15.100 -8.151 3.985) 17.616 8.872 ( -1.704 1.156 3.737) 4.267 9.008 ( 3.964 0.931 2.097) 4.580 9.244 ( -3.381 -0.218 -0.839) 3.491 10.332 ( -11.975 3.904 4.664) 13.431 10.766 ( -4.864 1.319 10.872) 11.983 10.824 ( -5.617 3.408 1.858) 6.828 11.417 ( -0.434 -5.794 -17.879) 18.799 11.925 ( 7.826 1.043 1.698) 8.076 12.513 ( 10.966 -0.155 -1.277) 11.041 13.429 ( 1.648 -6.734 2.433) 7.348 14.168 ( -4.971 8.477 4.069) 10.636 15.157 ( -8.245 -1.999 2.463) 8.834 15.545 ( -0.445 2.225 -0.270) 2.285 16.460 ( 1.549 -2.038 0.913) 2.718 16.924 ( -15.988 1.202 1.025) 16.066 17.385 ( -1.491 -0.802 2.377) 2.918 18.420 ( 14.534 -0.263 -4.843) 15.322 19.607 ( 1.484 -1.084 -2.082) 2.777 19.852 ( 0.544 -0.097 0.063) 0.556 20.233 ( -0.134 -0.872 -0.857) 1.230 ======================= Grid point 68 (42/189) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.509 ( 5.254 -0.000 -0.000) 5.254 4.281 ( -5.284 0.000 0.000) 5.284 4.336 ( -12.154 0.000 0.000) 12.154 4.779 ( 9.626 -0.000 -0.000) 9.626 5.007 ( -6.455 0.000 0.000) 6.455 5.497 ( -27.394 0.000 0.000) 27.394 5.570 ( 4.227 -0.000 -0.000) 4.227 5.911 ( 12.518 -0.000 -0.000) 12.518 7.331 ( 19.504 -0.000 -0.000) 19.504 7.986 ( 18.087 -0.000 -0.000) 18.087 8.821 ( -6.284 0.000 0.000) 6.284 9.134 ( 8.755 -0.000 -0.000) 8.755 9.142 ( -8.470 0.000 0.000) 8.470 10.160 ( -12.458 0.000 0.000) 12.458 10.462 ( -22.974 0.000 0.000) 22.974 10.919 ( 2.408 -0.000 -0.000) 2.408 11.327 ( 0.817 -0.000 -0.000) 0.817 12.074 ( 7.694 -0.000 -0.000) 7.694 12.759 ( 18.400 -0.000 -0.000) 18.400 13.452 ( 3.931 -0.000 -0.000) 3.931 14.096 ( -9.986 0.000 0.000) 9.986 14.953 ( -15.388 0.000 0.000) 15.388 15.548 ( -0.195 0.000 0.000) 0.195 16.498 ( 3.525 -0.000 -0.000) 3.525 16.625 ( -19.481 0.000 0.000) 19.481 17.345 ( -3.502 0.000 0.000) 3.502 18.682 ( 17.305 -0.000 -0.000) 17.305 19.631 ( 2.631 -0.000 -0.000) 2.631 19.865 ( 0.958 -0.000 -0.000) 0.958 20.223 ( -0.220 0.000 0.000) 0.220 ======================= Grid point 81 (43/189) ======================= 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 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.404 ( -0.000 0.000 0.000) 0.000 4.372 ( -0.000 0.000 0.000) 0.000 4.612 ( -0.000 0.000 -0.000) 0.000 4.624 ( -0.000 -0.000 0.000) 0.000 5.125 ( -0.000 0.000 -0.000) 0.000 5.496 ( -0.000 0.000 0.000) 0.000 5.695 ( -0.000 0.000 -0.000) 0.000 6.110 ( 0.000 -0.000 0.000) 0.000 6.934 ( -0.000 0.000 0.000) 0.000 7.538 ( -0.000 0.000 0.000) 0.000 8.899 ( -0.000 0.000 0.000) 0.000 8.989 ( -0.000 0.000 0.000) 0.000 9.267 ( -0.000 0.000 0.000) 0.000 10.466 ( -0.000 0.000 0.000) 0.000 10.884 ( -0.000 0.000 0.000) 0.000 10.901 ( -0.000 0.000 0.000) 0.000 11.303 ( -0.000 0.000 -0.000) 0.000 11.863 ( -0.000 0.000 0.000) 0.000 12.415 ( -0.000 0.000 0.000) 0.000 13.390 ( -0.000 0.000 0.000) 0.000 14.267 ( -0.000 0.000 0.000) 0.000 15.223 ( -0.000 0.000 0.000) 0.000 15.559 ( -0.000 0.000 0.000) 0.000 16.437 ( -0.000 0.000 0.000) 0.000 17.087 ( -0.000 0.000 0.000) 0.000 17.402 ( 0.000 0.000 -0.000) 0.000 18.262 ( -0.000 0.000 0.000) 0.000 19.583 ( -0.000 0.000 0.000) 0.000 19.846 ( -0.000 0.000 0.000) 0.000 20.227 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 162 (44/189) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -0.000 0.000 35.518) 35.518 0.661 ( -0.000 0.000 35.518) 35.518 1.358 ( -0.000 0.000 72.292) 72.292 4.535 ( 0.000 -0.000 -1.138) 1.138 6.166 ( 0.000 -0.000 -4.900) 4.900 6.206 ( 0.000 -0.000 -20.354) 20.354 6.206 ( 0.000 -0.000 -20.354) 20.354 7.066 ( -0.000 0.000 15.997) 15.997 7.066 ( -0.000 -0.000 15.997) 15.997 8.339 ( -0.000 0.000 0.795) 0.795 8.339 ( -0.000 0.000 0.795) 0.795 9.321 ( 0.000 -0.000 -3.668) 3.668 9.321 ( 0.000 -0.000 -3.668) 3.668 9.739 ( 0.000 -0.000 -7.352) 7.352 9.784 ( -0.000 -0.000 13.674) 13.674 9.784 ( -0.000 -0.000 13.674) 13.674 12.357 ( 0.000 -0.000 -2.525) 2.525 12.357 ( 0.000 -0.000 -2.525) 2.525 12.961 ( 0.000 -0.000 -1.368) 1.368 13.547 ( -0.000 0.000 3.036) 3.036 13.547 ( -0.000 -0.000 3.036) 3.036 13.640 ( 0.000 -0.000 -1.307) 1.307 16.284 ( -0.000 0.000 5.185) 5.185 16.284 ( -0.000 -0.000 5.185) 5.185 16.367 ( -0.000 0.000 4.102) 4.102 17.835 ( 0.000 -0.000 -2.968) 2.968 19.632 ( 0.000 0.000 -4.952) 4.952 19.632 ( 0.000 -0.000 -4.952) 4.952 19.885 ( -0.000 0.000 1.159) 1.159 20.073 ( -0.000 0.000 0.011) 0.011 ======================= Grid point 163 (45/189) ======================= q-point: ( 0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 21.942 12.668 22.782) 34.073 1.322 ( 20.314 11.728 33.708) 41.066 2.244 ( 40.418 23.335 51.865) 69.772 4.470 ( -5.015 -2.895 -1.165) 5.907 5.777 ( -13.315 -7.688 -20.577) 25.687 5.945 ( -9.641 -5.566 -7.734) 13.556 6.465 ( 14.642 8.453 -15.628) 23.023 6.800 ( -15.485 -8.940 9.272) 20.141 7.523 ( 14.788 8.538 19.065) 25.594 8.334 ( -0.662 -0.382 -2.517) 2.631 8.380 ( 1.954 1.128 1.604) 2.768 8.852 ( -24.709 -14.266 18.891) 34.218 9.441 ( -8.653 -4.996 9.596) 13.854 9.637 ( -2.817 -1.627 -7.836) 8.485 9.710 ( 7.628 4.404 -1.050) 8.871 9.842 ( -9.185 -5.303 30.429) 32.225 11.830 ( -13.880 -8.014 19.373) 25.143 12.400 ( 5.060 2.922 -4.344) 7.281 12.567 ( 3.249 1.876 13.581) 14.090 13.347 ( -9.628 -5.559 -3.891) 11.779 13.677 ( 1.499 0.865 0.575) 1.824 14.760 ( 33.859 19.548 -29.542) 49.003 15.812 ( -26.490 -15.294 7.080) 31.396 16.266 ( -3.321 -1.917 5.509) 6.712 16.770 ( 14.383 8.304 7.327) 18.153 17.748 ( -5.869 -3.388 -4.454) 8.110 19.573 ( 2.375 1.371 -9.613) 9.997 19.586 ( 0.460 0.266 -7.711) 7.730 20.052 ( 5.757 3.324 -1.297) 6.773 20.060 ( -1.086 -0.627 0.246) 1.278 ======================= Grid point 164 (46/189) ======================= q-point: ( 0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 26.604 15.360 13.139) 33.411 1.940 ( 17.627 10.177 32.599) 38.431 3.555 ( 50.592 29.209 34.374) 67.781 4.316 ( -7.782 -4.493 -0.413) 8.995 5.387 ( -10.879 -6.281 -18.047) 21.989 5.675 ( -11.082 -6.398 -4.219) 13.474 6.460 ( -17.890 -10.329 6.627) 21.694 6.685 ( 13.156 7.596 -18.404) 23.864 7.932 ( 10.036 5.794 21.488) 24.414 8.189 ( -9.126 -5.269 -4.712) 11.544 8.434 ( 1.960 1.132 1.451) 2.688 8.694 ( -3.053 -1.763 20.707) 21.005 9.245 ( -11.514 -6.647 8.927) 16.014 9.462 ( -8.469 -4.889 -4.139) 10.619 9.878 ( -3.455 -1.994 27.275) 27.565 9.964 ( 13.290 7.673 -6.697) 16.743 11.931 ( 9.699 5.600 4.541) 12.085 12.464 ( 2.316 1.337 -10.096) 10.444 12.803 ( 8.088 4.670 18.953) 21.129 13.138 ( -4.065 -2.347 -6.931) 8.371 13.715 ( 1.400 0.808 2.853) 3.279 15.020 ( 6.693 3.864 -13.592) 15.636 15.262 ( -26.607 -15.362 8.699) 31.931 16.206 ( -5.143 -2.969 5.807) 8.306 17.074 ( 8.591 4.960 8.330) 12.954 17.520 ( -11.148 -6.436 -7.538) 14.917 19.559 ( 2.053 1.185 -9.568) 9.857 19.596 ( 5.290 3.054 -12.425) 13.845 20.036 ( -1.317 -0.761 1.000) 1.820 20.116 ( 0.844 0.487 1.294) 1.620 ======================= Grid point 165 (47/189) ======================= q-point: ( 0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 25.630 14.797 7.381) 30.501 2.514 ( 17.244 9.956 27.428) 33.894 4.158 ( -6.096 -3.520 1.943) 7.302 4.835 ( 46.474 26.832 23.252) 58.485 5.065 ( -9.144 -5.279 -14.798) 18.179 5.405 ( -12.183 -7.034 -0.015) 14.068 6.061 ( -18.510 -10.687 1.466) 21.424 6.876 ( 13.537 7.816 -15.304) 21.876 7.971 ( -6.241 -3.603 -7.358) 10.299 8.154 ( -2.941 -1.698 16.072) 16.427 8.532 ( 5.997 3.462 8.793) 11.192 8.803 ( 1.231 0.711 13.710) 13.784 9.074 ( -8.401 -4.850 6.945) 11.930 9.221 ( -11.343 -6.549 -2.379) 13.312 10.031 ( 2.539 1.466 25.499) 25.667 10.163 ( 9.195 5.309 -10.331) 14.814 12.194 ( 12.214 7.052 -1.954) 14.238 12.307 ( -7.864 -4.541 -16.575) 18.900 13.117 ( 7.466 4.310 21.695) 23.345 13.121 ( 5.539 3.198 -11.322) 13.004 13.805 ( 4.346 2.509 8.072) 9.505 14.726 ( -23.846 -13.768 10.390) 29.430 15.060 ( 1.274 0.735 -3.897) 4.165 16.117 ( -6.207 -3.583 6.488) 9.667 17.174 ( -13.906 -8.029 -12.220) 20.179 17.249 ( 2.294 1.324 9.087) 9.465 19.561 ( 3.728 2.153 -10.305) 11.169 19.640 ( 5.535 3.196 -12.527) 14.063 20.017 ( -1.219 -0.704 2.061) 2.496 20.122 ( -1.310 -0.756 2.631) 3.034 ======================= Grid point 166 (48/189) ======================= q-point: ( 0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( 23.273 13.437 3.326) 27.078 3.041 ( 16.332 9.429 21.804) 28.828 4.080 ( -3.347 -1.933 4.670) 6.062 4.804 ( -6.427 -3.711 -10.899) 13.186 5.113 ( -16.481 -9.515 4.988) 19.673 5.392 ( -12.081 -6.975 -3.861) 14.475 6.157 ( 33.810 19.520 11.649) 40.741 7.119 ( 16.140 9.318 -8.897) 20.652 7.832 ( -0.726 -0.419 -12.573) 12.601 8.047 ( -10.615 -6.129 7.172) 14.201 8.741 ( 1.468 0.847 10.122) 10.263 8.877 ( -0.973 -0.562 8.569) 8.643 8.932 ( -9.807 -5.662 4.088) 12.040 8.936 ( -11.104 -6.411 8.395) 15.325 10.255 ( 6.308 3.642 -14.528) 16.252 10.298 ( 7.031 4.059 24.934) 26.222 12.007 ( -7.408 -4.277 -18.357) 20.252 12.411 ( 7.498 4.329 -2.870) 9.121 13.141 ( 3.510 2.027 -17.746) 18.203 13.346 ( 1.313 0.758 19.647) 19.706 13.997 ( 6.010 3.470 11.976) 13.841 14.357 ( -15.284 -8.824 13.866) 22.444 15.107 ( 4.664 2.693 0.093) 5.387 16.009 ( -7.864 -4.540 6.939) 11.428 16.798 ( -10.232 -5.908 -16.490) 20.286 17.290 ( -3.822 -2.207 9.969) 10.903 19.596 ( 5.084 2.935 -10.752) 12.250 19.683 ( 5.114 2.953 -11.902) 13.287 20.008 ( -1.061 -0.612 3.478) 3.687 20.095 ( -2.699 -1.558 3.556) 4.728 ======================= Grid point 167 (49/189) ======================= q-point: ( 0.50 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.470 ( 19.096 11.025 0.281) 22.051 3.499 ( 13.924 8.039 16.277) 22.879 3.996 ( -6.996 -4.039 2.129) 8.354 4.685 ( -24.761 -14.296 5.659) 29.147 4.718 ( 3.976 2.296 -2.647) 5.300 5.045 ( -11.624 -6.711 -5.586) 14.538 6.891 ( 25.417 14.674 -7.250) 30.231 7.565 ( 25.363 14.644 7.491) 30.230 7.778 ( 4.357 2.515 -18.849) 19.509 7.836 ( -11.134 -6.428 5.057) 13.816 8.424 ( -21.731 -12.546 -10.690) 27.275 8.676 ( -14.956 -8.635 9.618) 19.768 8.876 ( -2.844 -1.642 6.533) 7.312 9.051 ( 1.815 1.048 22.709) 22.806 10.253 ( 1.692 0.977 -17.573) 17.682 10.622 ( 7.724 4.459 23.564) 25.196 11.828 ( 2.599 1.500 -17.098) 17.360 12.444 ( -3.815 -2.203 0.435) 4.427 13.062 ( 0.301 0.174 -19.763) 19.766 13.476 ( 1.998 1.153 16.800) 16.958 14.149 ( 0.235 0.136 10.449) 10.453 14.199 ( -8.021 -4.631 13.265) 16.179 15.275 ( 9.547 5.512 1.703) 11.154 15.797 ( -13.951 -8.055 0.706) 16.125 16.618 ( 3.214 1.855 -12.133) 12.687 17.220 ( -7.730 -4.463 10.989) 14.158 19.642 ( 5.075 2.930 -11.907) 13.270 19.719 ( 4.494 2.594 -10.957) 12.123 20.019 ( -0.283 -0.163 5.416) 5.426 20.050 ( -3.478 -2.008 4.520) 6.046 ======================= Grid point 168 (50/189) ======================= q-point: (-0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.550 ( -14.023 -8.096 -2.080) 16.325 3.823 ( 6.308 3.642 9.995) 12.367 4.071 ( 17.218 9.941 -2.299) 20.014 4.152 ( -24.262 -14.008 3.441) 28.226 4.846 ( -3.794 -2.190 0.304) 4.391 4.930 ( 13.020 7.517 5.198) 15.907 7.260 ( 16.206 9.357 -13.338) 22.981 7.597 ( -18.894 -10.908 5.109) 22.407 7.779 ( 8.247 4.761 -26.441) 28.104 7.780 ( -24.004 -13.859 -11.254) 29.915 8.203 ( 23.429 13.527 8.557) 28.375 8.397 ( -13.914 -8.033 5.905) 17.117 8.869 ( -0.991 -0.572 9.806) 9.873 9.190 ( -1.971 -1.138 21.282) 21.404 10.091 ( -5.938 -3.428 -18.082) 19.338 10.889 ( 2.790 1.611 21.063) 21.308 11.928 ( 14.250 8.228 -15.123) 22.349 12.329 ( -5.616 -3.242 5.640) 8.594 12.927 ( -1.602 -0.925 -18.200) 18.293 13.641 ( 3.139 1.812 12.553) 13.066 14.111 ( -7.303 -4.217 11.734) 14.450 14.122 ( -6.389 -3.689 4.331) 8.554 15.465 ( -12.889 -7.441 -3.919) 15.390 15.516 ( 10.626 6.135 1.063) 12.316 16.737 ( 10.246 5.916 -5.119) 12.891 17.119 ( -6.636 -3.831 11.675) 13.965 19.661 ( 3.491 2.015 -13.220) 13.821 19.747 ( 3.637 2.100 -9.080) 10.004 20.002 ( -3.394 -1.960 4.926) 6.295 20.068 ( 1.223 0.706 6.877) 7.020 ======================= Grid point 169 (51/189) ======================= q-point: (-0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.108 ( -22.483 -12.981 -2.255) 26.059 3.589 ( -25.538 -14.744 5.787) 30.051 3.957 ( 0.507 0.293 0.695) 0.909 4.464 ( 18.597 10.737 -6.472) 22.428 4.920 ( 7.658 4.421 7.232) 11.423 5.309 ( 16.096 9.293 8.697) 20.520 6.781 ( -43.234 -24.961 -6.902) 50.397 7.469 ( 9.348 5.397 -14.521) 18.093 7.524 ( -6.507 -3.757 1.719) 7.708 7.833 ( 12.815 7.399 -27.926) 31.604 8.151 ( -10.610 -6.126 3.985) 12.883 8.578 ( 8.199 4.734 -1.156) 9.538 9.032 ( 8.221 4.746 16.219) 18.793 9.223 ( -5.869 -3.388 17.986) 19.221 9.804 ( -9.571 -5.526 -15.988) 19.436 10.970 ( -6.457 -3.728 18.209) 19.677 12.170 ( 13.222 7.634 -16.563) 22.527 12.348 ( 3.761 2.171 9.039) 10.028 12.779 ( -2.642 -1.525 -13.273) 13.619 13.681 ( -5.166 -2.982 1.152) 6.075 13.978 ( -3.980 -2.298 -4.174) 6.208 14.038 ( -6.550 -3.782 17.410) 18.982 15.240 ( -5.820 -3.360 0.338) 6.728 15.740 ( 8.792 5.076 1.068) 10.209 16.937 ( 8.743 5.048 -2.289) 10.352 17.107 ( -0.113 -0.065 10.209) 10.210 19.637 ( 2.150 1.242 -14.117) 14.333 19.771 ( 2.586 1.493 -5.354) 6.130 19.963 ( -2.477 -1.430 3.630) 4.622 20.148 ( 1.827 1.055 7.208) 7.510 ======================= Grid point 170 (52/189) ======================= q-point: (-0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( -26.100 -15.069 -0.446) 30.141 3.023 ( -28.693 -16.566 5.609) 33.603 3.996 ( 3.903 2.253 -0.139) 4.508 4.770 ( 10.994 6.347 -10.510) 16.480 5.209 ( 12.381 7.148 10.331) 17.638 5.534 ( -22.819 -13.175 0.292) 26.351 5.911 ( -6.893 -3.979 2.320) 8.290 7.420 ( -4.855 -2.803 5.206) 7.651 7.475 ( 2.201 1.271 -21.717) 21.866 7.987 ( -6.189 -3.573 3.593) 7.999 8.013 ( 15.067 8.699 -18.576) 25.451 8.683 ( 4.302 2.484 -2.098) 5.392 9.151 ( -10.804 -6.238 16.805) 20.930 9.308 ( 6.985 4.033 12.326) 14.730 9.505 ( -7.746 -4.472 -14.334) 16.896 10.859 ( -12.196 -7.041 15.854) 21.206 12.174 ( -3.215 -1.856 -22.015) 22.326 12.576 ( 10.120 5.843 10.222) 15.525 12.649 ( -3.668 -2.118 -6.739) 7.959 13.440 ( -13.173 -7.605 -6.956) 16.726 14.019 ( -6.646 -3.837 19.998) 21.420 14.034 ( 13.940 8.048 -7.146) 17.611 15.205 ( 0.538 0.311 5.407) 5.442 15.924 ( 6.897 3.982 2.582) 8.373 17.066 ( 3.475 2.006 -1.221) 4.194 17.235 ( 6.550 3.781 6.087) 9.708 19.589 ( 1.881 1.086 -15.235) 15.389 19.796 ( 0.996 0.575 -0.123) 1.157 19.939 ( -0.660 -0.381 0.427) 0.873 20.227 ( 1.045 0.603 7.180) 7.281 ======================= Grid point 171 (53/189) ======================= q-point: (-0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -28.246 -16.308 4.956) 32.990 2.384 ( -32.210 -18.597 6.712) 37.794 4.137 ( 8.218 4.745 0.389) 9.498 4.199 ( -52.935 -30.562 -7.871) 61.629 5.262 ( 11.967 6.909 -7.341) 15.647 5.574 ( 14.090 8.135 12.095) 20.273 6.151 ( 10.706 6.181 3.394) 12.820 7.333 ( -2.081 -1.202 -23.262) 23.386 7.375 ( -3.612 -2.085 10.658) 11.445 7.919 ( -2.660 -1.536 6.212) 6.930 8.212 ( 10.465 6.042 -11.883) 16.948 8.779 ( 5.828 3.365 -2.269) 7.102 8.928 ( -16.533 -9.545 11.490) 22.281 9.339 ( -1.180 -0.681 -6.721) 6.858 9.490 ( 4.614 2.664 6.888) 8.708 10.643 ( -15.403 -8.893 13.925) 22.588 11.823 ( -13.504 -7.797 -21.952) 26.927 12.533 ( -3.732 -2.155 -3.758) 5.718 12.845 ( 3.003 1.734 12.322) 12.801 13.112 ( -5.900 -3.407 -11.382) 13.265 13.972 ( -7.928 -4.577 17.204) 19.488 14.466 ( 26.450 15.271 -5.698) 31.069 15.303 ( 4.195 2.422 6.736) 8.297 16.077 ( 5.047 2.914 3.793) 6.954 17.067 ( -2.996 -1.730 -0.640) 3.518 17.443 ( 9.304 5.372 1.852) 10.902 19.537 ( 2.400 1.386 -16.495) 16.726 19.798 ( -1.777 -1.026 2.846) 3.509 19.951 ( 2.199 1.270 -1.669) 3.039 20.278 ( -0.418 -0.241 6.826) 6.843 ======================= Grid point 172 (54/189) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -28.193 -16.277 17.416) 36.920 1.688 ( -34.840 -20.115 10.369) 41.544 2.873 ( -61.617 -35.574 0.287) 71.149 4.332 ( 8.423 4.863 0.109) 9.726 5.547 ( 17.106 9.876 -10.928) 22.573 5.983 ( 15.501 8.949 13.254) 22.272 6.318 ( 4.214 2.433 -3.402) 5.937 7.099 ( -6.282 -3.627 -21.713) 22.893 7.367 ( -5.676 -3.277 16.015) 17.304 7.971 ( 1.413 0.816 21.475) 21.537 8.313 ( 3.933 2.271 -6.467) 7.902 8.626 ( -14.002 -8.084 5.782) 17.171 8.917 ( 7.875 4.547 -2.801) 9.515 9.340 ( 1.739 1.004 2.504) 3.209 9.620 ( 5.202 3.003 0.781) 6.058 10.359 ( -17.431 -10.064 13.362) 24.159 11.408 ( -11.776 -6.799 -13.298) 19.019 12.442 ( -2.753 -1.589 -1.816) 3.661 12.667 ( -12.369 -7.141 -0.463) 14.290 13.246 ( 11.299 6.524 0.208) 13.049 13.883 ( -8.362 -4.828 12.636) 15.902 15.066 ( 28.954 16.717 -2.883) 33.558 15.428 ( 3.551 2.050 -0.270) 4.110 16.191 ( 2.894 1.671 4.357) 5.491 16.927 ( -9.308 -5.374 0.300) 10.752 17.648 ( 8.452 4.880 -0.871) 9.798 19.497 ( 3.507 2.025 -16.850) 17.330 19.756 ( -2.818 -1.627 0.939) 3.387 20.005 ( 2.818 1.627 -0.550) 3.300 20.287 ( -2.205 -1.273 4.631) 5.285 ======================= Grid point 175 (55/189) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -0.000 32.534 23.946) 40.396 1.483 ( -0.000 28.657 29.264) 40.958 2.506 ( -0.000 27.631 59.900) 65.966 4.467 ( 0.000 -5.177 -1.045) 5.282 5.552 ( 0.000 -20.631 -19.360) 28.293 6.150 ( 0.000 2.878 -9.340) 9.773 6.181 ( 0.000 9.011 -19.857) 21.806 6.887 ( -0.000 -17.831 11.236) 21.076 7.614 ( -0.000 14.502 17.603) 22.807 8.287 ( 0.000 -6.121 -2.805) 6.733 8.417 ( -0.000 4.846 2.389) 5.403 9.095 ( 0.000 -7.882 3.840) 8.768 9.369 ( -0.000 -20.143 20.866) 29.002 9.534 ( -0.000 -5.243 11.020) 12.204 9.585 ( 0.000 -2.078 -10.142) 10.353 10.318 ( -0.000 19.022 13.657) 23.417 11.752 ( 0.000 -40.974 18.385) 44.910 12.389 ( -0.000 6.957 -3.256) 7.681 12.442 ( -0.000 -4.721 4.936) 6.830 13.464 ( 0.000 -9.392 -1.470) 9.506 13.899 ( -0.000 16.550 7.210) 18.052 14.551 ( 0.000 47.116 -29.891) 55.798 15.795 ( 0.000 -34.724 7.051) 35.432 16.404 ( -0.000 0.411 11.156) 11.163 16.782 ( -0.000 14.913 7.500) 16.693 17.722 ( 0.000 -6.409 -5.227) 8.271 19.322 ( 0.000 -14.679 -8.799) 17.114 19.613 ( 0.000 4.114 -6.694) 7.857 20.057 ( 0.000 -1.784 0.188) 1.794 20.112 ( -0.000 13.122 -3.222) 13.511 ======================= Grid point 176 (56/189) ======================= q-point: ( 0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 2.849 32.530 19.090) 37.825 2.062 ( 9.952 20.557 30.973) 38.483 3.422 ( 30.399 34.330 44.203) 63.691 4.365 ( -4.505 -6.311 -0.219) 7.757 5.231 ( -1.651 -17.205 -18.401) 25.245 5.865 ( -15.332 3.192 -10.232) 18.707 6.383 ( 15.267 3.565 -15.344) 21.937 6.663 ( -12.993 -14.412 6.825) 20.569 7.917 ( 8.582 3.881 16.662) 19.140 8.157 ( -1.530 -10.641 -6.372) 12.497 8.499 ( 0.849 8.269 1.474) 8.442 8.889 ( -11.836 -8.149 17.987) 23.022 9.431 ( -5.445 -6.960 12.709) 15.479 9.441 ( 0.123 -8.322 -2.311) 8.638 9.667 ( 9.462 2.993 7.104) 12.205 10.386 ( -16.559 16.429 14.105) 27.259 11.715 ( 16.472 -13.438 6.010) 22.091 12.407 ( -0.113 2.724 -6.488) 7.037 12.585 ( 13.221 -3.076 4.925) 14.440 13.296 ( -7.141 -3.807 -0.810) 8.133 13.962 ( -12.715 21.951 5.654) 25.990 14.882 ( 9.679 18.642 -17.208) 27.154 15.402 ( -11.340 -32.504 8.403) 35.436 16.385 ( -9.244 1.505 11.578) 14.892 17.044 ( 8.129 7.708 9.388) 14.616 17.550 ( -6.970 -9.286 -7.389) 13.762 19.223 ( 10.761 -12.517 -12.681) 20.815 19.611 ( -0.291 6.285 -8.492) 10.569 20.031 ( -0.615 -2.656 0.750) 2.827 20.188 ( -1.480 8.018 -1.673) 8.323 ======================= Grid point 177 (57/189) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 10.000 26.550 13.881) 31.584 2.588 ( 10.613 15.431 28.994) 34.517 4.225 ( -5.324 -4.934 1.918) 7.508 4.572 ( 37.945 32.396 29.008) 57.713 4.953 ( -1.400 -12.934 -15.547) 20.272 5.592 ( -13.824 0.660 -5.180) 14.777 6.288 ( -18.756 -13.483 4.487) 23.531 6.576 ( 15.754 3.096 -15.659) 22.427 7.867 ( -1.702 -15.887 -11.615) 19.753 8.212 ( 4.149 -4.286 15.495) 16.603 8.631 ( 1.470 14.625 2.077) 14.845 8.818 ( -0.848 -9.236 17.694) 19.977 9.289 ( -10.234 3.652 -2.116) 11.070 9.336 ( -8.922 -8.430 13.166) 18.000 9.918 ( 10.275 1.681 9.955) 14.405 10.380 ( -9.870 13.429 9.838) 19.353 11.965 ( 18.094 -1.060 -3.241) 18.412 12.286 ( -6.559 -3.801 -14.375) 16.252 12.820 ( 14.358 -3.980 3.336) 15.269 13.252 ( 0.987 4.516 3.689) 5.914 14.028 ( -9.215 21.558 8.222) 24.845 14.885 ( -10.627 -24.557 8.671) 28.128 15.070 ( -2.010 3.154 -4.026) 5.495 16.302 ( -10.523 1.389 11.217) 15.443 17.222 ( -10.276 -10.231 -9.048) 17.092 17.272 ( 2.798 1.377 7.710) 8.317 19.246 ( 13.768 -9.227 -14.360) 21.930 19.622 ( 0.479 7.948 -10.486) 13.166 20.002 ( -0.009 -3.729 2.057) 4.258 20.206 ( -2.822 4.649 0.106) 5.439 ======================= Grid point 178 (58/189) ======================= q-point: ( 0.42 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( 13.373 19.455 10.202) 25.718 3.072 ( 11.472 13.208 22.849) 28.778 4.144 ( -3.070 -2.245 5.493) 6.681 4.723 ( -1.369 -10.183 -11.038) 15.080 5.294 ( -8.605 0.995 -6.000) 10.537 5.500 ( 1.127 4.040 11.144) 11.907 6.001 ( 6.485 6.879 7.766) 12.235 6.813 ( 19.681 3.718 -9.237) 22.057 7.616 ( 2.196 -18.114 -15.779) 24.123 8.209 ( -6.209 -3.794 7.440) 10.407 8.803 ( 0.329 2.666 -0.264) 2.699 8.896 ( 3.514 1.672 18.633) 19.035 9.123 ( -9.126 -3.966 5.181) 11.218 9.175 ( -14.813 -0.610 12.425) 19.344 10.134 ( 5.406 6.489 -0.834) 8.487 10.446 ( -1.414 6.665 15.064) 16.533 11.977 ( -8.244 -6.233 -18.368) 21.077 12.232 ( 14.099 2.222 -6.416) 15.649 12.985 ( 6.989 1.282 -4.693) 8.515 13.387 ( 4.950 0.889 7.625) 9.135 14.163 ( -5.203 15.932 11.097) 20.101 14.517 ( -10.233 -22.628 16.521) 29.828 15.106 ( 0.863 6.781 -1.269) 6.952 16.204 ( -11.202 0.838 11.024) 15.739 16.813 ( -12.756 -9.937 -16.467) 23.079 17.370 ( -0.496 -1.749 10.341) 10.499 19.312 ( 13.230 -6.234 -13.732) 20.062 19.649 ( 1.371 8.528 -11.675) 14.523 19.986 ( 0.796 -4.637 3.553) 5.896 20.191 ( -3.601 2.857 1.199) 4.750 ======================= Grid point 179 (59/189) ======================= q-point: ( 0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.296 ( 14.977 13.653 7.438) 21.588 3.498 ( 11.060 10.344 15.939) 21.986 4.087 ( -6.349 -4.735 4.735) 9.228 4.630 ( 4.387 -0.777 -3.105) 5.430 4.999 ( -20.360 -9.496 3.164) 22.688 5.171 ( -17.091 -7.563 -5.909) 19.601 6.552 ( 24.374 11.943 -6.882) 28.001 7.270 ( 27.295 11.636 2.149) 29.749 7.408 ( 8.174 -21.175 -12.394) 25.861 8.098 ( -9.417 4.214 1.318) 10.401 8.627 ( -17.180 -3.511 -6.125) 18.574 8.912 ( -12.857 -5.739 6.632) 15.564 9.021 ( -8.425 0.482 13.064) 15.552 9.169 ( 2.076 1.433 22.112) 22.255 10.171 ( -0.996 5.045 -13.722) 14.654 10.677 ( 7.419 3.769 21.979) 23.502 11.716 ( -2.464 -1.733 -18.484) 18.728 12.380 ( 6.781 -1.988 -6.029) 9.288 13.021 ( -2.231 8.263 -11.132) 14.042 13.493 ( 4.561 -4.913 11.373) 13.202 14.182 ( -3.188 -9.676 9.868) 14.183 14.414 ( -6.300 1.078 19.073) 20.115 15.227 ( 5.228 7.990 1.263) 9.632 16.009 ( -17.604 -4.247 2.321) 18.257 16.533 ( -0.754 0.220 -11.520) 11.547 17.351 ( -5.231 -4.880 10.377) 12.604 19.389 ( 11.513 -4.036 -12.510) 17.474 19.683 ( 1.690 8.326 -12.179) 14.850 19.983 ( 1.414 -5.296 4.918) 7.364 20.162 ( -3.715 2.272 2.110) 4.839 ======================= Grid point 180 (60/189) ======================= q-point: ( 0.58 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.636 ( 0.651 1.720 2.786) 3.338 3.759 ( 6.789 -1.436 9.934) 12.118 3.991 ( 2.697 6.413 1.453) 7.107 4.477 ( -25.930 -12.947 4.499) 29.330 4.841 ( 10.606 8.770 4.482) 14.473 4.899 ( -6.337 -3.379 -2.198) 7.510 6.912 ( 20.343 3.579 -14.452) 25.209 7.222 ( 11.650 -23.243 -19.088) 32.254 7.887 ( 13.808 8.953 4.281) 17.004 8.013 ( -9.281 5.733 -7.242) 13.094 8.180 ( -19.920 2.768 2.486) 20.264 8.623 ( -16.753 -5.807 4.803) 18.370 9.012 ( -5.168 2.930 13.764) 14.991 9.311 ( -0.094 -3.838 19.932) 20.299 10.052 ( -4.525 -1.313 -14.867) 15.596 10.967 ( 6.227 3.020 19.765) 20.942 11.686 ( 10.186 5.201 -16.606) 20.164 12.359 ( -0.390 -4.915 -1.625) 5.191 12.938 ( -7.917 8.999 -12.603) 17.393 13.630 ( 6.901 -2.417 11.102) 13.293 14.092 ( -1.095 -13.481 8.318) 15.879 14.371 ( -11.692 -2.442 13.443) 17.983 15.426 ( 7.444 6.514 0.962) 9.939 15.652 ( -16.414 -1.005 -4.252) 16.985 16.609 ( 8.333 5.612 -2.600) 10.378 17.256 ( -6.693 -5.703 10.020) 13.331 19.456 ( 8.908 -2.241 -11.546) 14.754 19.709 ( 1.353 7.080 -11.877) 13.893 19.987 ( 1.154 -5.698 5.515) 8.013 20.151 ( -2.116 2.825 3.154) 4.734 ======================= Grid point 181 (61/189) ======================= q-point: (-0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.328 ( -19.629 -13.450 1.710) 23.856 3.920 ( -9.439 -4.198 7.600) 12.825 3.973 ( -14.376 -7.148 2.233) 16.209 4.236 ( 14.461 9.281 -5.319) 17.988 4.871 ( 5.680 1.317 4.715) 7.499 5.225 ( 14.359 13.781 9.264) 21.953 7.002 ( 3.549 -20.648 -11.792) 24.042 7.185 ( 8.747 -14.166 -16.095) 23.157 7.438 ( -22.145 2.823 -9.221) 24.154 7.916 ( -8.522 16.170 -10.747) 21.204 8.323 ( -11.990 -5.181 3.919) 13.637 8.476 ( 9.888 6.363 4.672) 12.652 9.109 ( 1.021 5.838 16.813) 17.827 9.337 ( -2.222 -7.547 13.802) 15.887 9.829 ( -8.759 -5.066 -9.759) 14.058 11.139 ( -1.463 0.012 15.809) 15.877 11.898 ( 15.970 8.957 -15.832) 24.206 12.335 ( 2.795 -1.469 2.604) 4.093 12.810 ( -7.643 7.121 -9.826) 14.341 13.724 ( -1.444 -2.585 2.732) 4.028 13.971 ( -3.557 -10.610 2.145) 11.394 14.199 ( -7.853 -9.198 13.344) 18.009 15.369 ( -9.833 1.737 -0.665) 10.007 15.678 ( 6.817 7.802 2.560) 10.673 16.809 ( 9.882 3.533 0.136) 10.495 17.180 ( -3.030 -3.106 8.062) 9.156 19.494 ( 5.355 0.362 -12.013) 13.157 19.721 ( 1.743 4.214 -9.040) 10.125 19.974 ( -0.331 -4.671 4.516) 6.505 20.190 ( 0.598 2.820 4.032) 4.957 ======================= Grid point 182 (62/189) ======================= q-point: (-0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( -24.090 -14.779 4.030) 28.548 3.429 ( -29.046 -9.505 5.244) 31.008 3.957 ( 1.462 -0.910 0.995) 1.989 4.534 ( 16.009 5.777 -6.991) 18.399 5.111 ( 12.912 4.564 7.402) 15.567 5.643 ( 9.077 12.949 8.768) 18.082 6.309 ( -44.575 -14.498 -3.245) 46.986 6.987 ( 12.794 -22.031 -15.445) 29.792 7.565 ( 11.762 6.957 -7.132) 15.415 7.875 ( -3.898 16.590 -16.331) 23.604 8.119 ( -9.733 -2.717 5.711) 11.607 8.642 ( 3.653 2.619 2.132) 4.975 9.262 ( 1.092 -8.006 7.469) 11.003 9.342 ( 0.799 2.503 16.800) 17.004 9.556 ( -11.655 -6.013 -4.915) 14.005 11.114 ( -10.126 -2.122 12.550) 16.264 12.055 ( 3.530 6.023 -19.062) 20.300 12.467 ( 9.782 0.989 2.751) 10.209 12.719 ( -5.202 5.648 -3.495) 8.437 13.546 ( -11.183 -7.025 -3.902) 13.770 13.867 ( 3.690 -0.797 -5.947) 7.044 14.154 ( -1.494 -10.202 19.721) 22.253 15.287 ( -4.756 3.473 4.303) 7.293 15.875 ( 6.725 5.273 3.606) 9.276 16.982 ( 7.932 0.409 1.213) 8.035 17.205 ( 2.841 -0.016 3.965) 4.877 19.489 ( 1.662 3.762 -14.533) 15.104 19.747 ( 3.278 0.562 -3.142) 4.576 19.947 ( -1.057 -2.600 2.235) 3.588 20.258 ( 1.415 1.825 4.101) 4.706 ======================= Grid point 183 (63/189) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( -26.656 -14.457 9.535) 31.788 2.856 ( -33.040 -9.266 5.985) 34.833 4.037 ( 7.163 1.270 0.884) 7.329 4.671 ( -12.631 -1.560 -6.611) 14.341 5.255 ( -28.937 -7.221 -2.586) 29.936 5.439 ( 15.707 2.983 7.888) 17.828 6.120 ( 6.530 11.665 5.368) 14.406 6.934 ( 13.673 -17.055 -12.860) 25.361 7.651 ( -7.364 9.802 -0.557) 12.273 7.954 ( 7.209 2.599 -8.431) 11.394 8.059 ( 0.698 6.316 2.234) 6.736 8.726 ( 2.546 1.437 3.243) 4.366 9.207 ( -12.902 -6.981 14.090) 20.340 9.256 ( -0.943 -7.202 -5.658) 9.207 9.499 ( 2.009 1.034 7.926) 8.242 10.935 ( -15.505 -4.330 8.818) 18.355 11.886 ( -12.483 3.140 -17.525) 21.744 12.550 ( -1.705 -1.922 -2.017) 3.266 12.805 ( 10.274 6.501 1.987) 12.319 13.216 ( -16.950 -5.997 -3.730) 18.363 14.084 ( 13.439 0.022 2.107) 13.603 14.152 ( 6.035 -2.464 10.969) 12.760 15.310 ( 0.657 1.292 4.778) 4.993 16.043 ( 5.677 2.627 4.607) 7.768 17.079 ( 1.658 -0.289 1.418) 2.201 17.315 ( 8.939 0.168 -0.030) 8.940 19.452 ( -0.070 6.478 -16.301) 17.541 19.790 ( 2.296 -2.309 2.305) 3.989 19.927 ( 0.189 0.183 -1.088) 1.119 20.311 ( 0.655 0.045 3.452) 3.514 ======================= Grid point 184 (64/189) ======================= q-point: (-0.08 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -26.890 -12.463 19.605) 35.536 2.230 ( -36.545 -9.047 7.779) 38.443 3.784 ( -65.208 -7.335 6.355) 65.927 4.206 ( 10.018 1.526 0.458) 10.144 5.267 ( 15.761 5.358 -10.494) 19.678 5.777 ( 17.809 -2.535 7.373) 19.441 6.302 ( 3.670 5.437 -0.407) 6.572 6.922 ( 5.763 -5.294 -14.185) 16.200 7.603 ( -8.716 6.040 7.915) 13.233 8.037 ( 4.891 -2.996 13.740) 14.889 8.226 ( 6.759 8.715 -3.651) 11.617 8.731 ( -6.113 -8.209 3.892) 10.950 8.998 ( -6.370 5.844 4.342) 9.674 9.282 ( 4.725 -4.171 7.838) 10.058 9.564 ( 2.833 -1.526 2.493) 4.070 10.625 ( -17.854 -10.273 4.194) 21.021 11.607 ( -16.650 10.201 -6.148) 20.472 12.475 ( -3.390 -0.269 -0.902) 3.518 12.852 ( -14.521 -4.196 -6.929) 16.628 13.084 ( 11.386 4.382 4.136) 12.882 14.021 ( -6.963 -11.359 13.368) 18.874 14.660 ( 31.781 9.582 -1.841) 33.245 15.357 ( 2.851 -3.136 -1.021) 4.359 16.166 ( 4.304 -0.654 4.917) 6.568 17.043 ( -6.136 -0.701 2.217) 6.562 17.490 ( 11.850 0.380 -2.704) 12.161 19.426 ( 0.072 9.738 -16.003) 18.734 19.781 ( -1.839 -2.653 1.880) 3.735 19.960 ( 3.318 1.290 -1.100) 3.726 20.313 ( -1.024 -2.976 1.625) 3.542 ======================= Grid point 188 (65/189) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( -0.000 28.206 20.757) 35.021 2.394 ( -0.000 30.200 25.101) 39.270 3.779 ( -0.000 36.022 43.494) 56.474 4.341 ( 0.000 -6.925 1.107) 7.013 4.961 ( 0.000 -15.684 -18.611) 24.339 6.060 ( 0.000 1.320 -16.178) 16.232 6.077 ( 0.000 1.857 -8.981) 9.171 6.665 ( 0.000 -15.757 5.174) 16.584 7.963 ( 0.000 -18.183 -11.255) 21.384 7.989 ( -0.000 1.168 17.557) 17.595 8.571 ( -0.000 6.758 3.174) 7.466 9.011 ( 0.000 -7.375 0.654) 7.404 9.310 ( -0.000 -13.900 23.133) 26.988 9.590 ( -0.000 10.280 3.320) 10.803 9.695 ( -0.000 6.815 9.158) 11.415 10.819 ( -0.000 17.737 9.460) 20.102 11.379 ( 0.000 -18.095 6.526) 19.236 12.421 ( 0.000 -1.174 -0.166) 1.185 12.493 ( 0.000 6.613 -6.238) 9.091 13.275 ( 0.000 -6.161 0.818) 6.215 14.354 ( -0.000 19.661 8.090) 21.261 14.885 ( 0.000 17.958 -15.609) 23.793 15.204 ( 0.000 -31.068 5.690) 31.585 16.571 ( -0.000 -1.539 16.967) 17.037 17.105 ( -0.000 8.112 9.132) 12.215 17.470 ( 0.000 -10.720 -8.020) 13.388 18.920 ( 0.000 -12.336 -12.978) 17.905 19.616 ( 0.000 5.531 -8.411) 10.066 20.012 ( 0.000 -3.460 0.911) 3.577 20.256 ( -0.000 6.347 -3.200) 7.108 ======================= Grid point 189 (66/189) ======================= q-point: ( 0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( -0.064 28.911 15.227) 32.676 2.823 ( 1.324 20.851 27.616) 34.629 4.262 ( -3.109 -5.172 3.243) 6.851 4.567 ( 21.392 30.933 30.736) 48.571 4.731 ( 2.095 -8.287 -16.326) 18.428 5.774 ( -12.746 -0.720 -8.972) 15.604 6.239 ( 14.317 -1.124 -9.899) 17.442 6.445 ( -11.008 -12.777 0.925) 16.890 7.643 ( -3.475 -22.261 -14.348) 26.712 8.154 ( 7.078 -6.237 15.995) 18.570 8.682 ( 3.370 5.509 3.718) 7.452 8.904 ( -3.377 -2.481 2.287) 4.774 9.319 ( -1.566 -9.759 12.783) 16.158 9.630 ( -10.842 9.216 10.973) 17.969 9.922 ( 6.420 10.597 11.931) 17.200 10.775 ( -17.322 8.989 7.387) 20.867 11.562 ( 22.863 -3.999 -1.688) 23.271 12.293 ( -8.158 -2.992 -11.185) 14.163 12.615 ( 11.468 -0.349 0.094) 11.474 13.282 ( 0.996 4.316 3.918) 5.914 14.483 ( -10.803 22.189 5.851) 25.363 14.777 ( -3.598 -33.376 10.869) 35.285 15.105 ( 0.823 12.012 -9.582) 15.388 16.575 ( -9.033 -0.880 16.902) 19.185 17.220 ( -7.708 -9.812 -7.913) 14.775 17.280 ( 3.058 1.322 7.458) 8.168 18.837 ( 11.901 -9.515 -14.289) 20.889 19.618 ( 0.471 5.970 -9.848) 11.526 19.981 ( -0.260 -4.037 1.906) 4.472 20.274 ( -1.279 3.646 -2.482) 4.593 ======================= Grid point 190 (67/189) ======================= q-point: ( 0.42 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.036 ( 1.159 26.417 10.944) 28.618 3.193 ( 4.845 11.944 25.051) 28.172 4.210 ( -2.577 -1.606 6.881) 7.521 4.553 ( 1.624 -9.077 -10.655) 14.091 5.338 ( 7.964 15.636 -2.071) 17.669 5.580 ( -0.105 2.691 6.995) 7.495 6.107 ( -12.294 -7.301 2.062) 14.446 6.467 ( 19.184 2.952 -4.779) 19.989 7.276 ( -0.174 -25.425 -17.837) 31.059 8.250 ( 1.800 -6.529 10.075) 12.140 8.786 ( 2.577 -1.808 6.007) 6.782 8.962 ( 5.120 6.427 3.642) 8.988 9.226 ( -6.995 -7.805 9.178) 13.931 9.553 ( -16.253 6.846 13.538) 22.233 10.190 ( 2.945 12.177 8.723) 15.266 10.652 ( -9.030 3.549 7.093) 12.018 11.839 ( 11.725 -2.928 -12.211) 17.180 12.034 ( -2.647 -1.948 -12.372) 12.801 12.833 ( 13.195 -1.345 4.032) 13.863 13.397 ( 0.692 9.057 2.193) 9.344 14.410 ( -7.432 -24.000 9.883) 26.998 14.594 ( -7.148 11.208 13.066) 18.640 15.176 ( -0.592 10.562 -3.710) 11.210 16.502 ( -11.323 0.803 15.915) 19.549 16.831 ( -14.302 -11.408 -15.102) 23.723 17.401 ( 2.036 -1.529 9.350) 9.691 18.917 ( 15.945 -6.026 -13.414) 21.691 19.627 ( 1.388 6.433 -11.379) 13.144 19.955 ( 0.236 -4.451 3.427) 5.622 20.260 ( -1.950 1.813 -1.404) 3.010 ======================= Grid point 191 (68/189) ======================= q-point: ( 0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.363 ( 3.630 20.615 9.281) 22.898 3.519 ( 7.695 5.974 17.313) 19.865 4.180 ( -5.662 -3.990 6.635) 9.592 4.526 ( 6.469 2.110 -1.921) 7.071 5.177 ( -11.717 -5.183 -5.746) 14.042 5.407 ( -22.049 -10.978 -0.529) 24.637 6.236 ( 17.803 6.457 -9.546) 21.208 6.908 ( 11.544 -10.925 -18.280) 24.224 7.021 ( 21.728 -1.644 10.584) 24.225 8.238 ( -3.449 0.516 2.364) 4.213 8.793 ( -5.158 -2.692 3.268) 6.674 9.049 ( -7.371 -3.373 6.232) 10.225 9.157 ( 2.889 -2.225 9.285) 9.975 9.433 ( -14.966 7.269 16.630) 23.524 10.244 ( -8.931 7.679 -8.719) 14.654 10.718 ( 5.488 1.482 17.991) 18.868 11.639 ( -5.239 -4.418 -18.973) 20.172 12.159 ( 12.006 1.586 -8.782) 14.959 13.057 ( 8.401 4.224 4.308) 10.343 13.457 ( -1.889 3.761 0.637) 4.256 14.149 ( -3.245 -23.391 12.267) 26.611 14.677 ( -7.209 8.243 14.275) 17.991 15.264 ( 1.386 9.567 0.085) 9.668 16.309 ( -21.333 -4.395 -2.137) 21.885 16.510 ( -2.524 0.100 -2.566) 3.601 17.422 ( -2.112 -5.159 8.097) 9.831 19.059 ( 14.839 -3.139 -10.896) 18.676 19.646 ( 2.193 6.565 -12.362) 14.168 19.946 ( 0.853 -4.588 4.813) 6.704 20.232 ( -2.145 0.947 -0.452) 2.388 ======================= Grid point 192 (69/189) ======================= q-point: ( 0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.663 ( 5.101 12.872 6.380) 15.245 3.726 ( 3.021 -3.049 9.305) 10.247 4.066 ( -4.940 -0.077 4.851) 6.924 4.759 ( 1.410 4.683 8.467) 9.777 4.822 ( -12.758 -5.898 0.680) 14.072 4.980 ( -11.970 -5.399 -4.988) 14.047 6.510 ( 19.950 2.227 -14.388) 24.698 6.673 ( 9.710 -26.060 -21.727) 35.291 7.674 ( 25.223 11.606 11.837) 30.183 8.182 ( -7.127 6.814 -5.622) 11.350 8.571 ( -19.193 -1.617 4.133) 19.700 8.865 ( -13.539 -5.362 3.231) 14.916 9.214 ( -3.017 2.197 13.952) 14.443 9.423 ( -6.239 0.077 16.011) 17.184 10.048 ( -7.524 -0.862 -13.058) 15.095 10.980 ( 8.352 2.146 16.654) 18.754 11.494 ( 4.400 1.738 -16.452) 17.119 12.252 ( 5.184 -1.186 -6.958) 8.757 13.174 ( -9.093 15.033 -3.250) 17.868 13.504 ( 9.087 -5.440 7.918) 13.224 14.004 ( 0.414 -17.605 9.977) 20.240 14.610 ( -12.840 -5.166 9.688) 16.894 15.405 ( 4.247 7.769 1.482) 8.977 15.915 ( -17.550 2.043 -6.771) 18.922 16.555 ( 3.339 4.225 2.966) 6.148 17.345 ( -4.936 -6.988 6.574) 10.789 19.205 ( 11.880 -0.895 -8.171) 14.447 19.667 ( 2.119 6.082 -12.801) 14.329 19.953 ( 1.095 -4.394 5.731) 7.304 20.209 ( -1.397 0.997 0.336) 1.749 ======================= Grid point 193 (70/189) ======================= q-point: (-0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.520 ( -15.103 -11.274 3.526) 19.174 3.938 ( 4.518 5.278 9.530) 11.793 4.111 ( 4.383 3.791 -3.932) 7.003 4.306 ( -24.292 -9.185 2.469) 26.088 4.830 ( 0.878 -1.991 1.971) 2.936 5.194 ( 14.593 16.344 10.481) 24.289 6.484 ( 12.772 -25.638 -19.390) 34.589 6.780 ( 20.029 1.379 -13.508) 24.197 7.905 ( -27.707 1.608 -8.604) 29.057 8.084 ( 2.747 8.709 -1.110) 9.199 8.387 ( -2.775 2.202 7.832) 8.596 8.604 ( -13.080 -0.173 3.936) 13.661 9.264 ( -3.866 -1.793 11.224) 12.005 9.390 ( -3.492 -1.090 11.841) 12.394 9.854 ( -5.650 -5.468 -5.339) 9.505 11.178 ( 4.970 -0.652 7.187) 8.763 11.640 ( 15.148 8.126 -8.485) 19.170 12.265 ( 3.180 -1.263 -3.647) 5.001 13.057 ( -15.055 13.148 -5.210) 20.656 13.684 ( 7.217 -3.290 6.275) 10.113 13.919 ( -0.136 -12.296 6.897) 14.099 14.305 ( -13.340 -14.244 3.067) 19.755 15.515 ( -1.810 3.783 1.845) 4.582 15.743 ( -5.277 8.390 0.738) 9.939 16.702 ( 7.040 2.824 2.662) 8.039 17.235 ( -3.857 -5.900 4.335) 8.276 19.331 ( 8.283 1.474 -6.470) 10.613 19.672 ( 1.566 4.583 -11.750) 12.709 19.963 ( 0.345 -3.706 5.544) 6.677 20.216 ( 0.545 1.379 0.851) 1.709 ======================= Grid point 194 (71/189) ======================= q-point: (-0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.126 ( -21.455 -11.201 5.727) 24.871 3.833 ( -25.316 -6.720 2.115) 26.278 3.964 ( -3.319 -2.015 3.163) 5.008 4.300 ( 13.680 5.137 -3.552) 15.038 4.970 ( 11.380 0.977 4.709) 12.355 5.676 ( 12.697 19.187 11.392) 25.674 6.365 ( 14.874 -23.715 -16.205) 32.346 6.868 ( -15.371 -4.790 -6.030) 17.192 7.424 ( -8.759 7.077 -10.978) 15.726 8.070 ( -8.901 10.188 -5.870) 14.747 8.301 ( -9.275 -2.041 4.545) 10.529 8.635 ( 3.431 4.084 5.897) 7.952 9.178 ( -0.271 -11.272 2.559) 11.562 9.476 ( -0.851 4.653 11.753) 12.669 9.663 ( -9.289 -7.870 4.261) 12.898 11.226 ( -0.346 -2.981 0.928) 3.141 11.937 ( 11.520 10.148 -5.908) 16.450 12.324 ( 7.394 0.072 -2.989) 7.976 12.910 ( -12.003 9.673 -3.135) 15.731 13.617 ( -8.387 -6.479 -2.310) 10.847 13.832 ( -3.568 -3.580 -2.723) 5.741 14.126 ( 2.644 -13.872 14.712) 20.392 15.461 ( -8.124 2.994 3.886) 9.491 15.846 ( 4.938 4.701 3.306) 7.577 16.852 ( 7.753 -0.769 2.464) 8.171 17.182 ( 0.580 -2.664 1.105) 2.942 19.421 ( 3.695 5.250 -8.217) 10.428 19.675 ( 2.688 1.718 -6.668) 7.392 19.958 ( -0.943 -2.363 3.766) 4.545 20.258 ( 2.049 0.857 0.988) 2.431 ======================= Grid point 195 (72/189) ======================= q-point: (-0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( -24.498 -8.880 10.157) 27.968 3.334 ( -29.261 -5.447 2.533) 29.871 3.959 ( 2.931 -0.764 2.101) 3.686 4.560 ( 13.805 4.787 -3.703) 15.074 5.225 ( 15.126 -1.262 4.321) 15.781 5.859 ( -26.491 -0.012 0.440) 26.495 6.285 ( -20.145 6.176 4.002) 21.447 6.434 ( 20.221 -9.955 -8.971) 24.258 7.594 ( 16.362 6.766 -9.330) 20.013 7.960 ( -8.881 6.829 -5.982) 12.700 8.214 ( -5.995 3.714 7.376) 10.205 8.742 ( 1.825 0.969 7.176) 7.468 9.122 ( 3.272 -8.214 1.100) 8.910 9.401 ( -8.876 -8.965 0.036) 12.616 9.585 ( -4.772 1.272 16.086) 16.827 11.104 ( -8.310 -6.255 -3.803) 11.075 12.058 ( -5.140 11.422 -5.449) 13.659 12.446 ( 8.827 -0.824 -5.579) 10.475 12.815 ( -5.667 4.469 -0.962) 7.281 13.416 ( -10.654 -1.874 0.569) 10.832 13.819 ( 10.442 2.422 -3.993) 11.439 14.150 ( 1.358 -12.759 16.425) 20.843 15.378 ( -5.547 -0.792 2.813) 6.269 15.990 ( 5.938 0.507 4.377) 7.394 16.989 ( 8.697 -1.405 1.438) 8.926 17.200 ( 3.393 -1.341 -1.360) 3.894 19.450 ( -0.517 9.439 -12.445) 15.629 19.724 ( 4.479 -0.932 1.100) 4.705 19.935 ( -1.504 -0.767 0.806) 1.871 20.298 ( 1.761 -0.935 0.513) 2.059 ======================= Grid point 196 (73/189) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( -25.168 -4.410 17.330) 30.874 2.786 ( -33.255 -4.316 3.867) 33.757 4.061 ( 7.823 -0.359 1.670) 8.008 4.705 ( -17.002 7.746 3.489) 19.006 5.169 ( -26.168 1.172 -2.709) 26.333 5.486 ( 15.511 -5.965 3.970) 17.086 6.196 ( 6.401 -9.304 -5.688) 12.645 6.740 ( 10.432 12.304 -3.443) 16.494 7.814 ( -1.413 3.750 6.874) 7.957 7.896 ( 7.488 3.490 -9.480) 12.575 8.275 ( 0.541 6.531 10.998) 12.803 8.793 ( -2.687 -3.571 8.431) 9.543 9.065 ( -1.432 -7.383 -1.067) 7.596 9.274 ( 1.418 -0.829 5.015) 5.277 9.588 ( -4.789 -1.396 12.321) 13.292 10.789 ( -14.824 -10.362 -7.266) 19.492 11.997 ( -13.775 16.427 0.449) 21.443 12.489 ( 2.440 -0.509 -6.038) 6.532 12.802 ( 1.616 -0.932 -4.203) 4.599 13.231 ( -12.251 4.186 5.003) 13.879 14.056 ( -0.903 -11.890 11.073) 16.273 14.225 ( 24.561 2.438 2.113) 24.772 15.293 ( -1.807 -5.349 -1.483) 5.838 16.097 ( 5.099 -3.427 4.714) 7.744 17.106 ( 2.562 0.052 3.360) 4.226 17.262 ( 9.390 -1.622 -5.053) 10.786 19.456 ( -1.090 12.441 -13.389) 18.310 19.787 ( 1.117 -1.871 4.399) 4.909 19.920 ( 1.098 1.016 -2.110) 2.586 20.291 ( -0.095 -3.968 -0.520) 4.003 ======================= Grid point 201 (74/189) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( -0.000 18.071 16.549) 24.504 3.243 ( -0.000 27.369 21.817) 35.001 4.272 ( -0.000 -3.545 5.997) 6.966 4.510 ( 0.000 -9.201 -12.276) 15.342 4.894 ( -0.000 34.480 21.064) 40.405 5.819 ( 0.000 -7.670 -12.970) 15.068 6.034 ( 0.000 3.386 -2.871) 4.440 6.411 ( 0.000 -13.460 -1.002) 13.498 7.353 ( 0.000 -26.113 -16.111) 30.683 8.110 ( -0.000 -10.105 16.986) 19.764 8.724 ( -0.000 4.005 4.530) 6.047 8.882 ( 0.000 -1.340 -4.645) 4.834 9.347 ( -0.000 -7.320 14.075) 15.865 9.974 ( -0.000 14.355 15.677) 21.256 10.000 ( -0.000 10.712 11.060) 15.397 11.145 ( 0.000 -10.048 -1.601) 10.175 11.214 ( -0.000 15.001 2.242) 15.168 12.354 ( 0.000 -9.064 -11.046) 14.289 12.389 ( 0.000 0.470 -3.577) 3.608 13.390 ( -0.000 11.952 7.580) 14.153 14.527 ( 0.000 -37.244 12.589) 39.315 14.811 ( -0.000 18.071 5.466) 18.880 15.174 ( 0.000 17.057 -11.272) 20.445 16.722 ( -0.000 -6.351 14.911) 16.208 17.166 ( 0.000 -8.735 -5.643) 10.399 17.319 ( -0.000 2.645 8.385) 8.792 18.554 ( 0.000 -7.726 -13.740) 15.763 19.603 ( 0.000 4.882 -10.318) 11.415 19.956 ( 0.000 -4.195 2.396) 4.831 20.291 ( 0.000 1.748 -3.184) 3.632 ======================= Grid point 202 (75/189) ======================= q-point: ( 0.42 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.249 ( 3.338 12.241 11.604) 17.194 3.555 ( -6.882 22.933 20.718) 31.663 4.287 ( -1.601 0.179 9.441) 9.577 4.394 ( 1.893 -3.892 -8.934) 9.927 5.368 ( 6.671 19.720 -1.138) 20.848 5.606 ( -2.309 -5.413 -4.910) 7.664 6.188 ( -4.235 -7.832 -6.284) 10.898 6.239 ( 10.584 4.089 10.195) 15.254 6.943 ( -4.356 -27.987 -17.514) 33.301 8.160 ( 6.287 -12.023 13.990) 19.489 8.786 ( 0.307 0.901 4.108) 4.217 8.905 ( 5.453 3.576 -2.884) 7.131 9.324 ( -4.286 -6.135 10.432) 12.839 9.985 ( -14.597 10.236 13.590) 22.417 10.323 ( 5.291 13.151 13.996) 19.921 10.879 ( -13.098 -1.546 -0.741) 13.209 11.528 ( 15.366 4.712 -9.012) 18.427 12.042 ( -9.881 -6.425 -10.993) 16.117 12.564 ( 16.118 -3.197 -0.471) 16.438 13.565 ( -1.841 15.662 6.738) 17.148 14.245 ( -1.616 -34.409 14.214) 37.264 14.935 ( -6.995 15.983 4.665) 18.059 15.269 ( -0.182 13.122 -5.965) 14.415 16.660 ( -4.020 -8.354 1.203) 9.348 16.963 ( -14.885 -4.727 3.909) 16.099 17.401 ( 2.073 -0.897 6.441) 6.826 18.537 ( 13.203 -4.471 -11.093) 17.815 19.589 ( 0.987 4.499 -11.041) 11.963 19.933 ( 0.050 -4.064 3.388) 5.292 20.276 ( -0.560 0.363 -2.694) 2.776 ======================= Grid point 203 (76/189) ======================= q-point: ( 0.50 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.476 ( 6.452 6.012 6.821) 11.148 3.741 ( -7.820 18.096 17.185) 26.152 4.276 ( -4.614 -2.628 6.069) 8.064 4.460 ( 6.403 7.384 3.321) 10.322 5.249 ( -9.020 -5.732 -9.232) 14.123 5.611 ( -10.177 -4.408 -2.814) 11.442 5.991 ( 5.111 -2.518 -10.093) 11.590 6.497 ( -0.562 -27.002 -20.359) 33.822 6.787 ( 24.695 14.820 16.984) 33.436 8.233 ( 4.953 -6.845 7.482) 11.285 8.811 ( 0.132 -1.833 3.396) 3.862 9.058 ( 8.444 3.022 0.133) 8.969 9.219 ( -8.295 -5.485 8.550) 13.115 9.885 ( -17.256 8.527 14.024) 23.815 10.474 ( -12.158 8.766 -3.788) 15.461 10.753 ( 1.951 -0.847 13.026) 13.198 11.541 ( -1.894 -5.151 -19.584) 20.338 11.962 ( 7.951 4.603 -6.477) 11.241 12.834 ( 18.526 -3.849 4.471) 19.443 13.666 ( -7.783 14.809 2.314) 16.889 14.010 ( -0.720 -27.958 14.515) 31.509 14.960 ( -8.756 8.180 5.985) 13.394 15.349 ( -0.320 9.767 -0.955) 9.818 16.441 ( -8.872 -3.710 -17.845) 20.271 16.719 ( -15.284 -2.531 17.042) 23.032 17.428 ( 0.070 -4.172 3.654) 5.546 18.714 ( 16.731 -1.574 -6.767) 18.116 19.588 ( 2.098 4.636 -11.427) 12.509 19.925 ( 0.526 -3.733 4.477) 5.853 20.250 ( -0.806 -0.236 -1.923) 2.098 ======================= Grid point 204 (77/189) ======================= q-point: ( 0.58 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.645 ( 5.900 -1.839 4.312) 7.536 3.875 ( -4.703 14.994 10.045) 18.651 4.199 ( -6.838 -1.325 7.741) 10.413 4.743 ( 11.324 12.193 8.144) 18.527 4.976 ( -10.948 -7.534 -4.495) 14.029 5.196 ( -23.370 -8.651 -1.130) 24.945 6.109 ( 13.982 -7.930 -18.874) 24.791 6.178 ( 8.828 -16.218 -14.802) 23.665 7.445 ( 24.842 12.109 12.644) 30.391 8.277 ( 0.196 1.728 -0.383) 1.781 8.766 ( -4.994 -5.643 4.942) 9.012 9.021 ( -11.339 -3.863 1.727) 12.103 9.250 ( 7.045 0.441 7.107) 10.017 9.777 ( -16.464 7.769 14.913) 23.533 10.160 ( -17.212 -2.378 -11.589) 20.886 10.955 ( 6.871 1.474 11.865) 13.790 11.366 ( 0.682 -0.735 -13.495) 13.532 12.106 ( 7.555 3.815 -8.268) 11.832 13.153 ( 18.912 -2.901 7.550) 20.569 13.616 ( -13.656 12.158 -1.225) 18.325 13.871 ( 1.467 -19.623 12.327) 23.220 14.820 ( -14.014 -5.546 2.293) 15.245 15.444 ( 1.462 7.181 2.262) 7.670 16.152 ( -12.971 5.699 -13.771) 19.757 16.629 ( -4.830 -1.172 12.487) 13.440 17.368 ( -2.819 -6.125 1.299) 6.867 18.945 ( 14.750 0.351 -3.018) 15.060 19.603 ( 2.503 4.928 -11.666) 12.909 19.935 ( 0.999 -3.245 5.475) 6.442 20.225 ( -0.662 -0.127 -1.340) 1.500 ======================= Grid point 205 (78/189) ======================= q-point: (-0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.632 ( -5.875 -7.184 3.827) 10.038 4.005 ( 2.044 9.151 0.214) 9.379 4.137 ( -5.982 -0.718 9.155) 10.959 4.618 ( -21.370 -7.680 0.074) 22.709 4.848 ( -7.195 -4.223 -0.519) 8.359 5.165 ( 15.850 15.215 10.144) 24.199 5.938 ( 9.620 -21.115 -17.590) 29.117 6.393 ( 19.622 3.766 -11.579) 23.093 7.949 ( 17.631 4.838 6.642) 19.451 8.227 ( -10.696 7.472 -8.865) 15.774 8.610 ( -11.612 -4.286 8.973) 15.288 8.796 ( -10.101 -4.968 2.084) 11.448 9.365 ( -2.191 -1.194 5.524) 6.061 9.587 ( -15.238 1.796 1.645) 15.432 9.888 ( -6.733 -3.461 3.897) 8.515 11.072 ( 6.069 -1.817 -5.510) 8.396 11.467 ( 11.108 5.546 3.501) 12.900 12.174 ( 3.709 1.802 -7.237) 8.329 13.433 ( -10.313 11.039 -0.441) 15.113 13.496 ( 9.638 -3.614 5.053) 11.466 13.827 ( 2.986 -11.164 9.224) 14.786 14.433 ( -18.582 -12.793 -4.949) 23.097 15.557 ( 2.429 3.933 4.911) 6.745 15.960 ( -11.191 7.061 -4.915) 14.116 16.672 ( 2.207 0.450 7.202) 7.546 17.250 ( -3.804 -6.050 -0.869) 7.199 19.164 ( 11.335 1.846 -0.308) 11.488 19.615 ( 1.821 5.066 -11.757) 12.930 19.960 ( 0.866 -2.678 6.182) 6.793 20.214 ( 0.286 0.274 -1.251) 1.312 ======================= Grid point 206 (79/189) ======================= q-point: (-0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.396 ( -16.440 -6.470 5.367) 18.465 4.014 ( -1.586 -4.752 -4.021) 6.424 4.128 ( -10.496 0.571 0.448) 10.521 4.250 ( -9.492 1.881 7.527) 12.259 4.826 ( 6.370 -2.555 1.762) 7.086 5.653 ( 22.414 4.745 0.647) 22.920 5.852 ( 6.608 -4.476 -4.382) 9.105 6.703 ( 18.526 5.714 -9.045) 21.394 7.868 ( -30.420 4.930 -7.885) 31.810 8.205 ( 3.751 4.041 0.357) 5.525 8.434 ( -10.274 -3.074 5.263) 11.946 8.697 ( -1.392 -0.258 6.300) 6.457 9.151 ( -9.808 -6.803 -1.929) 12.091 9.512 ( 0.445 -6.125 -1.858) 6.416 9.834 ( -7.584 1.324 17.394) 19.021 11.107 ( 6.339 -2.512 -10.776) 12.752 11.789 ( 14.994 6.325 6.375) 17.478 12.202 ( 3.935 1.125 -6.856) 7.985 13.235 ( -16.910 7.721 -2.361) 18.738 13.638 ( 2.524 -4.676 0.671) 5.356 13.864 ( -2.920 0.233 1.599) 3.337 14.030 ( -3.912 -14.387 3.731) 15.369 15.620 ( -3.755 0.579 5.931) 7.044 15.860 ( -2.555 2.527 -0.926) 3.711 16.768 ( 4.081 -0.541 4.760) 6.293 17.144 ( -0.814 -3.972 -2.979) 5.031 19.350 ( 7.485 3.909 0.421) 8.455 19.618 ( 1.404 4.623 -10.216) 11.301 19.980 ( -0.516 -1.914 5.605) 5.946 20.225 ( 1.827 -0.061 -1.436) 2.325 ======================= Grid point 207 (80/189) ======================= q-point: (-0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.072 ( -20.976 -3.173 8.641) 22.907 3.749 ( -24.198 -2.110 -1.586) 24.341 3.947 ( -0.398 -2.288 1.651) 2.849 4.392 ( 8.878 4.528 3.030) 10.417 4.973 ( 13.186 -4.866 1.145) 14.102 5.738 ( 14.092 -19.391 -13.870) 27.695 6.237 ( 11.381 22.596 9.572) 27.051 6.847 ( -16.370 6.033 0.915) 17.471 7.431 ( -7.713 7.672 -10.198) 14.912 8.161 ( -10.819 4.106 -1.354) 11.651 8.356 ( -1.930 0.173 6.549) 6.830 8.745 ( 2.492 -3.516 6.894) 8.130 9.019 ( 0.937 -4.088 0.018) 4.194 9.373 ( -3.246 -12.801 -3.401) 13.637 9.844 ( -8.742 3.304 19.592) 21.706 11.059 ( -0.005 -5.255 -13.314) 14.313 12.098 ( 9.327 6.336 1.867) 11.429 12.261 ( 7.683 0.754 -6.642) 10.184 13.017 ( -13.411 3.009 -0.772) 13.767 13.553 ( -6.940 2.101 -0.937) 7.311 13.744 ( -0.882 0.855 -4.405) 4.573 14.081 ( 4.835 -10.078 14.802) 18.548 15.505 ( -9.695 -2.891 1.954) 10.304 15.910 ( 5.440 -2.564 3.572) 6.995 16.852 ( 5.307 -0.905 0.663) 5.425 17.120 ( 3.352 -2.536 -2.330) 4.806 19.476 ( 1.655 8.511 -5.291) 10.157 19.650 ( 4.233 2.126 -2.404) 5.312 19.970 ( -2.214 -1.052 3.143) 3.986 20.246 ( 2.340 -1.806 -1.485) 3.308 ======================= Grid point 208 (81/189) ======================= q-point: (-0.08 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( -22.036 1.933 13.722) 26.031 3.293 ( -28.566 -0.560 0.769) 28.582 3.979 ( 3.522 -0.580 3.157) 4.766 4.629 ( 13.216 4.884 -1.268) 14.146 5.157 ( 15.258 -9.185 1.563) 17.878 5.674 ( 3.499 -12.930 -9.134) 16.213 6.210 ( -37.001 6.235 3.855) 37.720 6.786 ( 4.381 22.003 4.724) 22.927 7.611 ( 16.609 7.464 -9.035) 20.327 8.013 ( -8.781 1.681 1.577) 9.079 8.411 ( -0.634 3.995 11.863) 12.534 8.797 ( 4.048 -7.152 10.233) 13.125 9.019 ( -1.490 -3.684 -1.150) 4.137 9.183 ( 1.587 -10.672 -4.446) 11.669 9.839 ( -9.809 3.378 19.898) 22.440 10.829 ( -8.761 -8.148 -14.494) 18.794 12.230 ( 4.655 4.367 -7.540) 9.879 12.351 ( 1.523 3.783 -3.458) 5.347 12.883 ( -6.663 3.600 4.468) 8.793 13.458 ( -7.800 2.668 -1.460) 8.372 13.881 ( 14.359 5.338 3.086) 15.626 14.089 ( -1.649 -11.891 12.957) 17.664 15.311 ( -7.930 -5.685 -1.203) 9.830 15.994 ( 5.703 -5.843 5.177) 9.668 16.950 ( 9.420 -0.810 -5.636) 11.007 17.158 ( 3.721 -2.234 1.610) 4.629 19.519 ( -1.180 11.787 -10.722) 15.978 19.760 ( 4.884 0.990 4.803) 6.921 19.928 ( -2.620 -0.226 -0.975) 2.804 20.236 ( 0.960 -4.539 -1.452) 4.862 ======================= Grid point 214 (82/189) ======================= q-point: ( 0.42 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.358 ( -0.000 4.415 7.952) 9.096 3.958 ( -0.000 21.216 16.682) 26.989 4.320 ( 0.000 1.178 -5.274) 5.404 4.394 ( -0.000 4.292 13.441) 14.110 5.472 ( 0.000 -11.064 -11.940) 16.278 5.478 ( -0.000 16.257 -7.863) 18.058 6.097 ( 0.000 -16.185 -5.901) 17.227 6.285 ( -0.000 15.347 15.732) 21.978 6.645 ( 0.000 -24.548 -14.274) 28.396 8.040 ( -0.000 -17.167 14.806) 22.670 8.837 ( -0.000 2.319 3.650) 4.324 8.861 ( 0.000 5.088 -5.411) 7.428 9.361 ( -0.000 -6.012 8.804) 10.661 10.322 ( -0.000 8.394 9.100) 12.380 10.465 ( -0.000 12.993 19.747) 23.638 10.950 ( 0.000 -5.046 -5.958) 7.808 11.390 ( 0.000 7.674 -13.365) 15.411 12.023 ( 0.000 -11.021 -3.854) 11.675 12.359 ( 0.000 1.988 -4.651) 5.057 13.795 ( -0.000 17.129 8.355) 19.058 14.023 ( 0.000 -32.145 15.111) 35.520 15.147 ( -0.000 10.385 3.054) 10.825 15.356 ( -0.000 12.630 -6.314) 14.121 16.573 ( 0.000 -8.859 -9.010) 12.635 17.130 ( -0.000 -3.718 13.764) 14.257 17.404 ( -0.000 -0.681 2.080) 2.189 18.319 ( 0.000 -2.518 -7.114) 7.547 19.551 ( 0.000 3.601 -10.421) 11.026 19.917 ( -0.000 -3.714 3.580) 5.158 20.262 ( 0.000 -0.505 -2.630) 2.678 ======================= Grid point 215 (83/189) ======================= q-point: ( 0.50 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.447 ( 3.796 0.003 4.865) 6.171 4.158 ( -7.977 16.934 10.892) 21.657 4.337 ( 0.275 2.980 1.840) 3.514 4.533 ( -0.119 7.596 14.125) 16.038 5.247 ( -5.461 -7.741 -10.525) 14.160 5.594 ( 4.979 7.593 -11.385) 14.563 5.863 ( -1.619 -16.076 -8.329) 18.178 6.246 ( -11.326 -21.286 -10.813) 26.425 6.695 ( 16.178 16.271 15.574) 27.731 8.043 ( 9.521 -16.500 11.546) 22.276 8.840 ( -1.868 3.023 -1.158) 3.738 8.954 ( 6.284 3.576 -2.075) 7.522 9.321 ( -4.047 -5.502 7.343) 10.029 10.302 ( -13.629 5.881 10.801) 18.358 10.715 ( -5.693 8.948 3.020) 11.027 10.805 ( -2.358 -1.135 5.689) 6.261 11.362 ( 3.112 -1.686 -20.594) 20.896 11.910 ( -0.266 0.599 -1.331) 1.483 12.512 ( 16.126 -1.368 -0.486) 16.191 13.826 ( -0.334 -25.568 14.344) 29.319 13.964 ( -4.451 13.784 6.172) 15.745 15.173 ( -6.724 3.903 1.068) 7.847 15.433 ( 0.140 8.899 -2.487) 9.241 16.411 ( -3.286 -1.869 -14.954) 15.425 17.042 ( -14.225 -5.152 15.069) 21.353 17.399 ( 0.357 -1.552 -1.987) 2.546 18.412 ( 14.109 -0.638 -1.150) 14.170 19.534 ( 1.215 3.834 -9.582) 10.392 19.910 ( 0.434 -3.340 4.113) 5.316 20.240 ( -0.167 -0.639 -1.972) 2.080 ======================= Grid point 216 (84/189) ======================= q-point: ( 0.58 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.548 ( 5.892 -2.282 4.196) 7.585 4.172 ( -9.006 9.545 0.493) 13.133 4.365 ( -6.049 2.099 11.754) 13.385 4.734 ( 7.193 7.398 8.191) 13.174 5.030 ( -6.918 -4.313 -6.699) 10.552 5.507 ( -18.511 -1.408 -0.838) 18.583 5.712 ( 4.560 -15.095 -15.850) 22.358 5.894 ( 4.496 -4.955 -7.422) 9.993 7.239 ( 21.645 10.230 11.289) 26.468 8.152 ( 11.671 -10.591 6.415) 17.015 8.806 ( -3.607 0.125 -1.302) 3.837 9.083 ( 6.105 1.398 -4.825) 7.906 9.222 ( -5.576 -4.081 7.283) 10.039 10.183 ( -13.370 3.191 12.752) 18.750 10.413 ( -21.649 0.431 -10.437) 24.037 10.926 ( 2.728 -0.441 0.383) 2.790 11.294 ( 1.585 1.899 -2.870) 3.789 11.990 ( 6.223 5.698 -6.307) 10.534 12.810 ( 20.668 -3.768 3.941) 21.375 13.699 ( 1.371 -19.495 12.307) 23.095 13.982 ( -10.615 10.941 1.845) 15.355 14.997 ( -13.468 -4.386 -3.733) 14.647 15.505 ( 0.615 5.280 2.000) 5.679 16.273 ( -5.108 8.090 -16.600) 19.160 16.832 ( -12.920 -7.115 15.232) 21.203 17.352 ( -1.630 -2.453 -4.043) 5.002 18.686 ( 16.606 0.548 2.789) 16.847 19.545 ( 1.966 4.725 -9.040) 10.388 19.920 ( 1.145 -2.915 4.966) 5.871 20.221 ( -0.326 -0.193 -1.460) 1.508 ======================= Grid point 217 (85/189) ======================= q-point: ( 0.67 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.628 ( 2.766 -3.400 4.337) 6.166 4.065 ( -6.874 0.745 -7.164) 9.956 4.328 ( -6.505 -1.942 12.652) 14.358 4.822 ( -9.742 -1.544 -1.498) 9.977 4.994 ( 11.007 0.438 -3.391) 11.526 5.078 ( -20.118 -4.882 -1.095) 20.731 5.656 ( 4.893 1.873 2.152) 5.664 6.072 ( 16.406 5.790 -8.789) 19.492 7.704 ( 20.157 1.277 6.942) 21.357 8.277 ( 6.626 -1.186 -0.467) 6.748 8.704 ( -5.548 -4.900 1.741) 7.605 8.966 ( -12.109 -2.185 -0.912) 12.338 9.283 ( 8.212 -2.578 -0.591) 8.627 9.917 ( -23.330 -5.283 -11.746) 26.649 10.124 ( -12.885 6.559 17.602) 22.779 10.896 ( 4.272 -3.518 -14.287) 15.322 11.432 ( 5.101 5.176 12.537) 14.491 12.092 ( 4.470 5.122 -8.083) 10.562 13.155 ( 21.210 -4.813 5.557) 22.448 13.642 ( 0.909 -10.779 7.634) 13.240 13.866 ( -11.573 4.842 -0.095) 12.546 14.619 ( -19.602 -5.517 -9.186) 22.339 15.582 ( 1.772 1.673 5.319) 5.851 16.156 ( -9.116 8.336 -11.923) 17.168 16.716 ( -3.158 -5.913 12.416) 14.110 17.250 ( -3.950 -2.447 -5.558) 7.244 18.981 ( 14.360 1.356 5.085) 15.294 19.572 ( 1.670 5.859 -9.272) 11.094 19.952 ( 1.693 -2.620 6.120) 6.870 20.207 ( -0.398 0.439 -1.638) 1.741 ======================= Grid point 218 (86/189) ======================= q-point: (-0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.596 ( -7.540 -2.091 5.286) 9.442 3.905 ( -1.090 -6.131 -10.139) 11.899 4.302 ( -1.727 -3.778 10.424) 11.221 4.532 ( -19.794 -0.986 -1.605) 19.883 4.818 ( -8.332 2.069 2.657) 8.987 5.146 ( 17.929 -12.883 -13.298) 25.773 5.932 ( 6.833 20.848 14.462) 26.277 6.397 ( 19.482 9.207 -7.670) 22.873 8.020 ( 16.024 -4.579 3.873) 17.110 8.259 ( -11.954 7.118 -8.332) 16.217 8.593 ( -2.750 -9.126 8.078) 12.494 8.736 ( -10.451 -2.035 -0.279) 10.651 9.320 ( -0.549 -6.143 -2.408) 6.621 9.418 ( -17.265 -5.696 -10.272) 20.882 10.124 ( -8.912 5.057 20.806) 23.192 10.872 ( 7.849 -2.762 -16.953) 18.885 11.682 ( 9.813 3.597 13.447) 17.031 12.136 ( 1.663 4.378 -8.191) 9.435 13.434 ( 13.554 -6.791 2.216) 15.321 13.530 ( -12.505 -0.028 -0.548) 12.517 13.807 ( 6.180 -5.773 6.278) 10.533 14.194 ( -20.508 2.592 -10.030) 22.976 15.656 ( 2.343 -2.242 7.356) 8.039 15.975 ( -10.672 1.654 -7.161) 12.957 16.745 ( 2.700 -3.265 9.047) 9.990 17.119 ( -4.092 -1.354 -7.473) 8.627 19.246 ( 11.121 2.192 6.511) 13.072 19.594 ( 0.673 6.932 -9.915) 12.117 19.997 ( 1.234 -2.346 7.158) 7.633 20.194 ( -0.047 0.364 -2.836) 2.860 ======================= Grid point 219 (87/189) ======================= q-point: (-0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.422 ( -15.895 1.498 6.688) 17.310 3.823 ( 4.814 -6.277 -7.544) 10.931 4.143 ( -20.999 2.271 0.587) 21.130 4.387 ( 3.572 -4.076 8.024) 9.682 4.781 ( 0.950 -0.324 0.402) 1.081 5.216 ( 16.349 -14.612 -12.197) 25.091 6.382 ( 8.260 25.560 12.394) 29.583 6.782 ( 18.826 11.591 -5.608) 22.808 7.905 ( -30.144 7.363 -4.278) 31.323 8.233 ( 10.324 -3.013 1.557) 10.867 8.443 ( -11.628 -2.139 4.135) 12.525 8.645 ( 3.792 -10.850 3.017) 11.883 9.068 ( -9.850 -0.019 -2.875) 10.261 9.241 ( 0.166 -13.880 -4.462) 14.581 10.159 ( -8.797 4.741 21.395) 23.614 10.859 ( 6.297 -3.900 -18.748) 20.158 11.978 ( 12.476 2.094 10.129) 16.206 12.141 ( 1.718 3.105 -9.032) 9.704 13.267 ( -14.708 -0.589 0.250) 14.722 13.523 ( 5.787 -6.160 -3.953) 9.330 13.903 ( -11.578 6.174 -2.683) 13.393 13.975 ( 7.070 -1.772 7.209) 10.251 15.652 ( -7.959 -3.349 4.037) 9.532 15.811 ( 1.063 -5.574 -1.415) 5.848 16.819 ( 1.711 -0.606 6.041) 6.308 17.019 ( 0.779 -2.048 -7.557) 7.869 19.471 ( 7.148 4.087 6.086) 10.239 19.611 ( 1.026 7.162 -9.253) 11.746 20.022 ( -1.506 -1.537 6.268) 6.627 20.177 ( 1.314 -1.616 -3.810) 4.342 ======================= Grid point 220 (88/189) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.221 ( -18.097 6.165 10.191) 21.665 3.712 ( -17.925 1.149 -3.608) 18.320 3.936 ( 0.519 -0.971 2.150) 2.416 4.502 ( 7.707 -1.051 6.023) 9.837 4.835 ( 9.798 -6.846 -1.901) 12.103 5.265 ( 14.268 -13.951 -9.873) 22.264 6.754 ( -2.939 21.949 2.618) 22.299 7.105 ( -0.121 15.939 3.338) 16.285 7.501 ( -13.847 9.965 -3.418) 17.399 8.192 ( -10.991 0.149 -1.006) 11.038 8.443 ( 7.994 -2.373 8.757) 12.092 8.660 ( 8.142 -12.522 6.955) 16.476 8.972 ( 0.222 -3.734 -3.521) 5.137 9.056 ( -3.850 -12.210 -1.868) 12.938 10.181 ( -10.064 4.979 21.895) 24.606 10.742 ( -0.921 -5.437 -19.433) 20.201 12.085 ( 1.556 1.715 -12.063) 12.283 12.290 ( 11.909 0.355 4.877) 12.874 13.093 ( -9.396 3.767 6.675) 12.125 13.489 ( 0.258 -3.536 -8.184) 8.919 13.859 ( -0.643 10.169 0.396) 10.197 14.087 ( 2.159 -6.957 12.578) 14.535 15.432 ( -12.342 -3.541 -0.537) 12.851 15.846 ( 7.494 -8.838 4.115) 12.297 16.828 ( -0.268 1.903 -7.359) 7.606 17.049 ( 7.299 -4.496 3.416) 9.228 19.585 ( -0.872 10.283 -7.642) 12.841 19.710 ( 6.677 3.086 4.193) 8.467 19.984 ( -4.457 -0.667 0.813) 4.579 20.157 ( 1.797 -4.883 -1.704) 5.475 ======================= Grid point 227 (89/189) ======================= q-point: ( 0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.433 ( -0.000 -1.443 4.266) 4.503 4.337 ( 0.000 2.823 -3.332) 4.367 4.437 ( -0.000 12.248 7.377) 14.298 4.714 ( -0.000 3.824 16.346) 16.787 5.155 ( 0.000 -5.683 -10.279) 11.745 5.559 ( 0.000 9.521 -11.508) 14.936 5.635 ( 0.000 -16.948 -8.126) 18.796 6.203 ( 0.000 -9.963 -1.693) 10.106 6.781 ( -0.000 13.408 12.226) 18.145 7.834 ( 0.000 -20.370 10.876) 23.092 8.884 ( 0.000 0.399 -1.542) 1.593 8.910 ( 0.000 6.236 -5.782) 8.504 9.344 ( -0.000 -5.354 6.762) 8.625 10.509 ( -0.000 -0.296 7.367) 7.373 10.834 ( 0.000 2.641 -7.265) 7.730 10.872 ( -0.000 3.118 4.810) 5.732 11.219 ( 0.000 4.270 -10.877) 11.685 11.910 ( -0.000 -3.355 2.864) 4.411 12.360 ( 0.000 3.333 -3.228) 4.640 13.677 ( -0.000 -23.013 14.657) 27.284 14.164 ( -0.000 11.018 3.705) 11.624 15.253 ( 0.000 -1.131 0.016) 1.131 15.484 ( -0.000 7.004 -4.129) 8.131 16.342 ( 0.000 2.033 -14.751) 14.891 17.211 ( -0.000 -6.573 13.073) 14.632 17.362 ( 0.000 0.650 -7.097) 7.126 18.285 ( -0.000 -0.212 4.890) 4.894 19.509 ( 0.000 4.229 -7.431) 8.550 19.899 ( -0.000 -3.128 4.091) 5.150 20.226 ( 0.000 -0.286 -1.187) 1.221 ======================= Grid point 228 (90/189) ======================= q-point: ( 0.58 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.476 ( 3.383 -1.875 5.131) 6.426 4.300 ( -3.682 1.162 -5.926) 7.073 4.533 ( -1.959 3.197 1.744) 4.136 4.728 ( -1.786 -9.524 4.346) 10.620 5.050 ( -3.078 0.575 -6.513) 7.226 5.536 ( 1.294 0.210 2.972) 3.248 5.627 ( 4.044 10.152 -9.155) 14.256 5.976 ( -17.780 -4.221 4.939) 18.930 7.072 ( 14.035 5.004 8.738) 17.273 7.829 ( 13.778 -16.570 7.144) 22.703 8.851 ( -1.808 0.577 -4.723) 5.090 8.958 ( 4.196 2.581 -6.391) 8.069 9.307 ( -3.535 -4.190 5.720) 7.923 10.423 ( -10.627 -5.371 4.422) 12.702 10.685 ( -11.709 3.380 -10.527) 16.104 10.833 ( 0.073 -2.607 -11.326) 11.622 11.353 ( 1.924 10.275 12.578) 16.355 11.921 ( 3.528 0.757 -1.830) 4.045 12.503 ( 13.931 0.569 0.440) 13.949 13.576 ( 1.040 -17.234 12.764) 21.471 14.200 ( -5.562 3.935 -0.746) 6.854 15.135 ( -9.890 -2.460 -4.644) 11.200 15.532 ( 1.701 3.349 -1.004) 3.889 16.290 ( -0.511 7.619 -15.283) 17.085 17.072 ( -13.700 -8.041 10.399) 18.986 17.330 ( -0.419 1.052 -7.085) 7.175 18.460 ( 13.715 0.168 8.561) 16.169 19.523 ( 0.919 5.298 -5.853) 7.948 19.904 ( 0.892 -2.903 4.520) 5.445 20.221 ( -0.227 0.500 -0.472) 0.724 ======================= Grid point 229 (91/189) ======================= q-point: (-0.33 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.557 ( 4.708 -2.846 4.697) 7.234 4.142 ( -8.931 -2.737 -9.092) 13.036 4.410 ( -6.245 -12.938 2.399) 14.565 4.666 ( 9.641 -9.843 -11.644) 18.040 4.973 ( -6.816 4.979 -2.073) 8.692 5.500 ( -22.627 5.436 5.056) 23.814 5.774 ( 2.956 16.517 10.628) 19.862 5.876 ( 7.297 7.954 0.995) 10.840 7.385 ( 19.140 -8.122 5.626) 21.540 8.020 ( 17.286 -7.395 3.136) 19.061 8.765 ( -4.565 -0.971 -5.420) 7.153 8.999 ( 3.399 -0.367 -8.154) 8.841 9.221 ( -4.995 -2.883 2.741) 6.385 10.106 ( -16.501 -9.345 -6.860) 20.166 10.525 ( -11.299 7.622 4.820) 14.456 10.708 ( -0.738 -4.463 -13.658) 14.388 11.547 ( -0.134 7.743 16.883) 18.574 12.010 ( 6.279 4.435 -6.230) 9.895 12.795 ( 19.680 -2.536 3.507) 20.150 13.542 ( 2.830 -10.490 9.227) 14.254 14.053 ( -9.775 -3.588 -4.474) 11.333 14.850 ( -16.937 1.119 -10.104) 19.754 15.585 ( 1.987 -0.666 3.185) 3.812 16.256 ( -3.119 9.157 -16.054) 18.743 16.832 ( -10.955 -9.256 11.969) 18.680 17.267 ( -3.172 1.336 -7.204) 7.985 18.780 ( 16.022 0.780 9.758) 18.776 19.563 ( 1.017 6.587 -5.561) 8.681 19.929 ( 1.906 -2.950 5.267) 6.331 20.220 ( -0.785 1.348 -0.394) 1.609 ======================= Grid point 230 (92/189) ======================= q-point: (-0.25 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.610 ( 3.514 -5.235 0.123) 6.307 3.883 ( -8.740 -6.127 -6.398) 12.444 4.221 ( 0.214 -14.647 -0.344) 14.653 4.671 ( 8.631 -7.792 -14.013) 18.209 4.867 ( -10.300 4.610 0.047) 11.285 5.201 ( -23.072 7.972 9.975) 26.370 6.125 ( 12.175 17.094 4.277) 21.418 6.186 ( 9.021 18.958 8.827) 22.775 7.628 ( 21.517 -16.243 2.989) 27.124 8.236 ( 11.437 -2.105 -0.665) 11.648 8.621 ( -6.841 -2.226 -4.246) 8.354 8.912 ( -8.329 -0.645 -3.502) 9.058 9.155 ( 1.603 -4.637 -5.190) 7.142 9.665 ( -19.630 -8.131 -8.163) 22.762 10.477 ( -11.735 6.014 18.251) 22.516 10.600 ( 6.382 -4.850 -19.499) 21.083 11.718 ( 1.613 4.462 16.562) 17.228 12.110 ( 3.471 6.846 -6.728) 10.207 13.107 ( 18.459 -5.818 3.063) 19.594 13.590 ( 5.104 -2.863 5.781) 8.226 13.783 ( -10.669 -8.086 -4.819) 14.228 14.506 ( -18.847 5.731 -12.904) 23.549 15.619 ( 2.207 -5.180 5.368) 7.779 16.121 ( -9.904 4.213 -12.782) 16.710 16.729 ( -0.845 -6.881 11.108) 13.094 17.166 ( -5.550 2.563 -7.772) 9.888 19.106 ( 13.961 1.660 10.182) 17.359 19.606 ( 0.198 7.663 -6.519) 10.063 19.975 ( 2.808 -3.280 6.076) 7.454 20.209 ( -1.876 1.612 -1.279) 2.784 ======================= Grid point 231 (93/189) ======================= q-point: (-0.17 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.575 ( 6.305 -9.813 -8.124) 14.215 3.708 ( -9.285 1.448 3.185) 9.923 4.155 ( 9.048 -14.687 -0.163) 17.251 4.520 ( -15.830 3.444 -5.868) 17.230 4.826 ( 7.493 -5.333 -4.766) 10.358 5.018 ( -16.234 7.694 8.843) 20.023 6.540 ( 18.567 14.603 -2.627) 23.767 6.604 ( 6.374 25.408 11.761) 28.714 7.845 ( 22.841 -17.570 1.521) 28.857 8.292 ( -5.638 3.591 -4.732) 8.190 8.470 ( -2.735 -7.497 1.309) 8.087 8.710 ( -13.749 0.821 -3.252) 14.152 9.082 ( 0.933 -8.435 -4.911) 9.805 9.245 ( -15.870 -6.193 -4.447) 17.607 10.475 ( -7.525 2.467 19.916) 21.433 10.566 ( 7.801 -3.681 -19.830) 21.625 11.903 ( 6.061 1.042 14.247) 15.517 12.160 ( -1.854 8.741 -7.051) 11.382 13.287 ( 10.889 -8.064 -2.322) 13.747 13.483 ( -12.341 -3.114 0.781) 12.752 13.787 ( 12.235 -1.552 5.691) 13.582 14.199 ( -15.223 7.327 -12.916) 21.266 15.627 ( 3.655 -9.464 4.952) 11.289 15.885 ( -12.786 0.400 -7.189) 14.674 16.776 ( 4.897 -5.039 9.518) 11.831 17.040 ( -7.175 3.993 -8.722) 11.979 19.398 ( 11.019 2.762 10.041) 15.161 19.634 ( -0.687 8.397 -7.909) 11.556 20.029 ( 2.888 -3.799 6.349) 7.943 20.164 ( -3.404 0.810 -3.208) 4.746 ======================= Grid point 232 (94/189) ======================= q-point: (-0.08 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.601 ( 12.380 -7.189 -7.244) 16.044 3.601 ( -12.416 7.127 7.244) 16.044 4.224 ( -7.227 -2.159 -2.220) 7.862 4.224 ( 1.744 -7.338 2.220) 7.862 4.891 ( 10.659 -7.552 -5.410) 14.139 4.891 ( -11.869 5.455 5.410) 14.139 6.982 ( 18.337 15.340 -4.902) 24.405 6.982 ( 4.117 23.550 4.902) 24.405 8.069 ( 8.358 -7.976 -5.528) 12.807 8.069 ( -11.086 3.251 5.528) 12.807 8.426 ( -11.473 -3.566 -7.455) 14.139 8.426 ( 2.648 -11.719 7.455) 14.139 8.992 ( -5.402 -5.304 -2.649) 8.021 8.992 ( -1.892 -7.331 2.649) 8.021 10.512 ( 6.272 -5.020 -22.287) 23.690 10.512 ( -7.484 2.922 22.287) 23.690 12.115 ( -6.410 7.820 -10.580) 14.635 12.115 ( 9.977 -1.641 10.580) 14.635 13.324 ( 4.391 -5.396 -9.815) 12.030 13.324 ( -6.869 1.104 9.815) 12.030 14.005 ( -6.306 6.267 -9.381) 12.924 14.005 ( 8.580 -2.328 9.381) 12.924 15.634 ( -6.208 -4.062 -4.846) 8.861 15.634 ( -0.414 -7.407 4.846) 8.861 16.897 ( -5.886 3.261 -10.840) 12.759 16.897 ( 5.767 -3.467 10.840) 12.759 19.650 ( -0.442 8.812 -9.539) 12.993 19.650 ( 7.852 4.023 9.539) 12.993 20.067 ( -2.696 -2.109 -7.419) 8.170 20.067 ( -0.479 -3.389 7.419) 8.170 ======================= Grid point 241 (95/189) ======================= q-point: (-0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.464 ( -0.000 -2.580 6.133) 6.653 4.288 ( 0.000 0.401 -8.413) 8.422 4.492 ( 0.000 -6.034 -8.954) 10.798 4.610 ( 0.000 -20.137 -3.961) 20.522 5.082 ( -0.000 7.209 -3.527) 8.026 5.631 ( 0.000 9.884 -6.702) 11.942 5.681 ( -0.000 14.457 17.636) 22.804 6.207 ( -0.000 4.502 9.932) 10.904 6.992 ( -0.000 -7.416 6.130) 9.622 7.577 ( 0.000 -11.982 3.728) 12.549 8.801 ( 0.000 -2.326 -8.129) 8.456 8.931 ( 0.000 3.202 -6.122) 6.909 9.330 ( -0.000 -3.677 4.692) 5.961 10.476 ( 0.000 -7.462 -0.320) 7.468 10.564 ( 0.000 -7.616 -24.723) 25.869 10.898 ( -0.000 7.584 1.084) 7.661 11.552 ( -0.000 14.051 15.579) 20.980 11.857 ( 0.000 -5.577 0.758) 5.629 12.409 ( -0.000 3.902 -0.300) 3.913 13.500 ( -0.000 -11.926 11.152) 16.328 14.221 ( 0.000 -5.330 -4.780) 7.159 15.188 ( 0.000 -0.906 -3.925) 4.028 15.517 ( 0.000 1.993 -4.295) 4.735 16.274 ( 0.000 8.471 -14.883) 17.125 17.192 ( -0.000 -8.776 8.709) 12.364 17.289 ( 0.000 3.513 -10.509) 11.081 18.403 ( -0.000 0.146 13.497) 13.497 19.543 ( -0.000 6.168 -3.326) 7.007 19.896 ( -0.000 -2.819 4.461) 5.277 20.232 ( -0.000 1.385 0.505) 1.474 ======================= Grid point 242 (96/189) ======================= q-point: (-0.33 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.482 ( 2.601 -5.873 3.624) 7.375 4.188 ( -6.796 -2.999 -9.080) 11.732 4.318 ( -3.802 -20.486 -6.846) 21.932 4.395 ( 4.703 -6.349 -10.550) 13.181 5.124 ( -3.768 10.351 -2.078) 11.210 5.744 ( 6.406 9.681 -4.239) 12.358 5.919 ( -8.214 13.302 18.010) 23.849 6.209 ( -12.154 15.840 15.977) 25.572 6.981 ( 13.556 -23.850 3.422) 27.646 7.691 ( 16.247 -1.019 0.666) 16.292 8.725 ( 0.288 -3.005 -10.228) 10.664 8.920 ( 0.962 1.746 -6.682) 6.973 9.292 ( -3.587 -3.018 2.595) 5.358 10.202 ( -12.294 -10.007 -12.011) 19.888 10.432 ( 3.431 -5.928 -17.002) 18.330 10.909 ( -9.521 6.138 7.835) 13.774 11.772 ( -1.868 12.102 16.491) 20.540 11.864 ( 7.970 -3.800 -2.921) 9.300 12.544 ( 11.115 1.865 2.111) 11.466 13.486 ( 0.979 -5.038 7.945) 9.458 14.059 ( -4.286 -11.470 -7.248) 14.228 15.046 ( -11.502 1.120 -9.277) 14.819 15.536 ( 3.179 -1.228 -1.434) 3.698 16.264 ( -0.396 8.714 -15.914) 18.148 17.026 ( -12.589 -6.530 7.187) 15.899 17.273 ( -0.357 2.275 -7.420) 7.769 18.614 ( 12.408 0.650 14.615) 19.183 19.594 ( 0.337 7.067 -2.331) 7.449 19.905 ( 1.067 -3.009 4.640) 5.633 20.250 ( -0.549 2.112 0.849) 2.342 ======================= Grid point 243 (97/189) ======================= q-point: (-0.25 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.449 ( 2.960 -11.645 -5.940) 13.403 3.875 ( -5.964 -18.526 -4.339) 19.940 4.121 ( -3.361 -5.237 -5.687) 8.430 4.404 ( 6.946 -1.329 -8.098) 10.751 5.110 ( -8.933 10.570 -1.923) 13.972 5.751 ( -22.652 3.844 13.326) 26.561 6.004 ( 10.258 14.991 -3.035) 18.416 6.474 ( 1.289 23.367 18.607) 29.898 7.049 ( 22.401 -27.226 2.316) 35.333 7.976 ( 16.064 -0.180 -0.861) 16.088 8.619 ( -1.265 -2.964 -10.827) 11.296 8.916 ( 0.995 2.037 -7.174) 7.523 9.184 ( -6.825 -2.276 -0.273) 7.200 9.800 ( -14.990 -11.283 -9.408) 20.988 10.325 ( 4.756 -6.200 -20.251) 21.707 10.829 ( -12.104 2.649 14.065) 18.744 11.898 ( -3.298 5.116 15.803) 16.935 12.022 ( 10.267 4.946 -2.897) 11.759 12.796 ( 15.491 -1.674 2.766) 15.825 13.533 ( 2.419 1.822 3.217) 4.418 13.809 ( -6.195 -11.586 -5.797) 14.361 14.745 ( -16.072 1.089 -14.703) 21.809 15.550 ( 2.116 -6.080 1.614) 6.636 16.201 ( -4.555 6.111 -15.849) 17.587 16.831 ( -9.626 -3.565 9.989) 14.322 17.224 ( -3.033 2.769 -6.560) 7.740 18.951 ( 14.968 1.805 13.808) 20.444 19.651 ( -0.256 7.676 -3.054) 8.265 19.930 ( 2.236 -3.544 4.765) 6.346 20.257 ( -1.779 2.161 0.478) 2.840 ======================= Grid point 244 (98/189) ======================= q-point: (-0.17 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( 4.317 -16.172 -13.584) 21.557 3.707 ( 5.884 -16.956 2.391) 18.107 4.002 ( -3.540 -1.096 -4.126) 5.545 4.474 ( 5.248 2.160 -5.687) 8.034 4.998 ( -14.447 9.197 -1.359) 17.179 5.489 ( -22.600 5.584 12.479) 26.414 6.353 ( 16.513 13.189 -2.418) 21.272 6.817 ( 7.832 13.949 7.038) 17.477 7.242 ( 22.488 -16.514 6.475) 28.642 8.158 ( 9.204 -5.105 -1.663) 10.656 8.517 ( -1.529 0.855 -9.872) 10.026 8.864 ( -6.104 1.626 -5.249) 8.213 9.048 ( -5.196 -0.702 -3.268) 6.178 9.388 ( -15.093 -12.102 -4.673) 19.902 10.233 ( 7.486 -6.642 -21.400) 23.625 10.758 ( -8.547 -1.302 17.531) 19.547 11.987 ( -2.028 3.948 13.831) 14.526 12.212 ( 4.954 8.718 -1.180) 10.096 13.008 ( 12.431 -6.034 -0.262) 13.821 13.572 ( -2.554 -6.463 -2.555) 7.404 13.676 ( 3.346 5.868 2.055) 7.060 14.384 ( -14.549 -0.836 -16.770) 22.217 15.506 ( 1.272 -10.793 2.001) 11.050 16.041 ( -9.340 3.114 -10.278) 14.233 16.775 ( -2.637 -0.437 9.449) 9.820 17.148 ( -5.338 3.850 -5.773) 8.755 19.293 ( 13.056 3.263 12.166) 18.142 19.689 ( -1.212 7.616 -4.601) 8.980 19.967 ( 3.011 -3.926 3.799) 6.238 20.230 ( -3.745 1.094 -0.076) 3.903 ======================= Grid point 254 (99/189) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.385 ( 0.000 -11.888 -1.869) 12.034 4.068 ( 0.000 -25.167 -10.901) 27.427 4.208 ( 0.000 -6.933 -9.499) 11.760 4.251 ( -0.000 6.845 -3.670) 7.767 5.262 ( -0.000 14.196 -2.916) 14.492 5.752 ( -0.000 6.992 -2.297) 7.360 6.253 ( -0.000 11.972 22.879) 25.822 6.570 ( 0.000 -35.569 0.006) 35.569 6.602 ( -0.000 20.016 16.795) 26.128 7.551 ( -0.000 5.140 -2.853) 5.879 8.624 ( 0.000 -2.161 -12.493) 12.678 8.881 ( 0.000 0.148 -6.433) 6.434 9.307 ( 0.000 -3.064 1.833) 3.570 10.133 ( 0.000 -5.862 -22.365) 23.120 10.225 ( 0.000 -11.693 -10.007) 15.390 11.115 ( -0.000 5.326 11.944) 13.078 11.672 ( 0.000 -8.645 -6.749) 10.967 12.032 ( -0.000 12.739 17.539) 21.677 12.487 ( -0.000 1.848 2.828) 3.378 13.514 ( -0.000 3.441 5.721) 6.676 13.904 ( 0.000 -16.191 -8.706) 18.384 15.090 ( 0.000 -2.535 -10.083) 10.396 15.471 ( 0.000 -0.472 -4.566) 4.590 16.254 ( 0.000 8.746 -15.895) 18.142 17.143 ( -0.000 -4.928 7.342) 8.843 17.237 ( 0.000 3.578 -9.296) 9.961 18.612 ( -0.000 0.986 18.134) 18.161 19.653 ( -0.000 7.318 -0.612) 7.344 19.895 ( -0.000 -3.132 4.359) 5.367 20.285 ( -0.000 2.514 1.301) 2.831 ======================= Grid point 255 (100/189) ======================= q-point: (-0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.220 ( 1.416 -17.440 -10.697) 20.508 3.693 ( -4.428 -27.193 -9.507) 29.145 4.096 ( -1.618 -2.185 -6.702) 7.233 4.352 ( 2.152 9.618 0.851) 9.892 5.338 ( -5.718 14.882 -3.659) 16.357 5.830 ( 6.853 -4.608 0.536) 8.275 6.326 ( -8.854 1.769 9.831) 13.349 6.343 ( 6.216 -22.270 2.536) 23.260 6.922 ( 0.108 24.646 21.309) 32.581 7.722 ( 13.865 3.937 -3.653) 14.869 8.521 ( -0.217 -1.939 -14.117) 14.251 8.863 ( 2.322 1.380 -6.601) 7.132 9.253 ( -3.859 -3.109 0.723) 5.008 9.841 ( -10.735 -10.097 -13.302) 19.853 10.070 ( 3.095 -8.738 -18.608) 20.789 11.101 ( -11.208 -2.018 11.653) 16.294 11.721 ( 17.092 -5.767 -2.638) 18.230 12.196 ( -5.989 11.155 14.724) 19.419 12.608 ( 9.410 0.594 3.625) 10.102 13.600 ( -1.867 8.232 0.079) 8.441 13.692 ( 0.364 -12.484 -5.097) 13.489 14.869 ( -11.306 -5.053 -15.145) 19.563 15.461 ( 2.073 -3.456 -2.474) 4.729 16.220 ( -2.107 7.060 -15.105) 16.806 17.051 ( -10.141 1.241 5.917) 11.807 17.231 ( 0.160 1.406 -5.193) 5.382 18.842 ( 11.006 2.043 17.761) 20.995 19.719 ( -0.382 7.412 -0.811) 7.466 19.897 ( 0.945 -3.668 4.186) 5.646 20.308 ( -1.043 2.238 1.012) 2.669 ======================= Grid point 256 (101/189) ======================= q-point: (-0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.958 ( 1.774 -21.196 -17.555) 27.579 3.389 ( 5.134 -26.394 -3.333) 27.094 4.023 ( -2.315 1.118 -4.890) 5.524 4.497 ( 0.918 12.038 2.807) 12.395 5.304 ( -11.511 12.489 -3.744) 17.392 5.824 ( 2.565 -17.000 4.800) 17.849 6.217 ( -1.546 -11.145 5.669) 12.599 6.440 ( 14.734 5.284 -4.638) 16.325 7.308 ( 1.624 23.239 19.969) 30.683 7.937 ( 11.371 -1.579 -3.528) 12.010 8.424 ( 1.743 -0.691 -13.872) 13.999 8.888 ( 1.470 3.556 -7.512) 8.440 9.133 ( -6.851 -2.606 -0.477) 7.345 9.467 ( -12.526 -11.787 -6.717) 18.465 9.932 ( 4.556 -7.622 -20.316) 22.172 10.943 ( -8.367 -8.759 11.677) 16.825 12.000 ( 16.973 0.515 2.075) 17.107 12.268 ( -5.031 7.248 12.553) 15.343 12.788 ( 9.387 -1.717 1.410) 9.647 13.485 ( 1.239 -9.950 -5.890) 11.629 13.765 ( -1.410 15.669 1.071) 15.768 14.479 ( -14.589 -7.439 -17.794) 24.183 15.412 ( -0.442 -7.891 -0.266) 7.908 16.128 ( -5.467 4.109 -10.879) 12.850 16.962 ( -8.777 5.889 6.476) 12.396 17.202 ( -1.743 1.552 -3.649) 4.332 19.187 ( 13.550 3.755 15.161) 20.677 19.760 ( -1.706 6.574 -2.672) 7.299 19.911 ( 2.042 -3.623 3.631) 5.521 20.297 ( -2.855 0.818 0.517) 3.015 ======================= Grid point 267 (102/189) ======================= q-point: (-0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.940 ( 0.000 -21.814 -15.130) 26.547 3.378 ( 0.000 -30.734 -13.222) 33.458 4.073 ( 0.000 2.191 -4.701) 5.186 4.461 ( -0.000 10.550 5.059) 11.701 5.511 ( 0.000 -41.850 -0.422) 41.853 5.522 ( -0.000 17.626 -5.682) 18.519 6.078 ( 0.000 1.053 -2.788) 2.980 6.651 ( -0.000 3.085 20.847) 21.074 7.304 ( -0.000 25.470 19.429) 32.034 7.602 ( 0.000 5.675 -7.334) 9.274 8.422 ( 0.000 -0.064 -16.555) 16.555 8.808 ( 0.000 1.221 -6.072) 6.194 9.254 ( 0.000 -4.839 1.334) 5.020 9.801 ( 0.000 -4.444 -15.010) 15.654 9.802 ( 0.000 -13.846 -16.909) 21.854 11.342 ( -0.000 -1.812 17.285) 17.380 11.344 ( 0.000 -14.384 -9.816) 17.414 12.485 ( -0.000 13.787 13.820) 19.521 12.523 ( -0.000 -2.468 3.463) 4.252 13.457 ( 0.000 -18.157 -8.288) 19.959 13.807 ( -0.000 21.799 2.619) 21.956 14.794 ( 0.000 -10.463 -17.075) 20.026 15.408 ( 0.000 -0.419 -3.487) 3.512 16.218 ( 0.000 6.968 -13.693) 15.364 17.183 ( 0.000 0.615 -6.371) 6.400 17.222 ( -0.000 4.129 6.311) 7.541 18.883 ( -0.000 2.404 19.968) 20.112 19.790 ( -0.000 6.980 -0.263) 6.985 19.878 ( -0.000 -3.994 3.920) 5.596 20.343 ( -0.000 1.824 0.629) 1.930 ======================= Grid point 268 (103/189) ======================= q-point: (-0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( -0.055 -25.039 -20.005) 32.049 3.001 ( 2.683 -32.318 -9.452) 33.779 4.071 ( -2.313 5.596 -2.890) 6.709 4.588 ( 5.319 1.005 2.871) 6.127 5.216 ( 12.751 -39.092 0.637) 41.124 5.576 ( -8.394 15.657 -6.264) 18.837 6.180 ( 5.655 5.909 -0.736) 8.212 6.662 ( -12.687 5.603 15.316) 20.662 7.646 ( -0.082 21.393 18.919) 28.558 7.715 ( 10.518 2.342 -7.114) 12.912 8.312 ( -0.080 0.773 -17.688) 17.705 8.824 ( 3.097 2.604 -6.272) 7.463 9.180 ( -2.578 -7.250 1.644) 7.868 9.483 ( -8.475 -9.286 -13.756) 18.636 9.702 ( 1.556 -5.303 -14.411) 15.435 11.010 ( -8.513 -15.454 1.198) 17.685 11.649 ( 21.220 -4.933 6.656) 22.780 12.481 ( -3.574 0.928 6.348) 7.344 12.718 ( 2.705 6.765 8.421) 11.135 13.270 ( 3.658 -14.766 -7.491) 16.957 14.034 ( -3.746 26.959 1.706) 27.271 14.484 ( -9.488 -11.831 -18.302) 23.769 15.375 ( -1.576 -2.149 -1.601) 3.109 16.178 ( -2.934 5.123 -10.198) 11.784 17.136 ( -1.625 1.100 -4.176) 4.615 17.262 ( -5.012 6.088 5.112) 9.397 19.124 ( 9.879 3.765 18.319) 21.151 19.827 ( -1.577 3.156 -2.072) 4.091 19.880 ( 1.078 -1.096 4.148) 4.424 20.343 ( -1.719 0.407 -0.093) 1.769 ======================= Grid point 280 (104/189) ======================= q-point: (-0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 0.000 -27.790 -21.049) 34.861 2.571 ( 0.000 -35.859 -13.239) 38.225 4.152 ( -0.000 8.771 -1.307) 8.868 4.166 ( 0.000 -54.411 -4.874) 54.628 5.090 ( -0.000 8.561 11.265) 14.149 5.776 ( -0.000 18.168 -9.437) 20.473 6.183 ( -0.000 6.849 0.485) 6.866 6.919 ( -0.000 -1.886 21.009) 21.093 7.566 ( 0.000 1.986 -11.133) 11.309 7.956 ( -0.000 17.999 15.296) 23.621 8.209 ( 0.000 2.259 -21.530) 21.648 8.802 ( 0.000 4.852 -3.983) 6.278 9.064 ( 0.000 -18.152 -2.804) 18.367 9.407 ( 0.000 -1.804 -13.646) 13.765 9.608 ( 0.000 -1.113 -6.197) 6.296 10.891 ( 0.000 -17.980 -12.497) 21.896 11.448 ( -0.000 -9.361 16.878) 19.301 12.489 ( 0.000 -3.816 1.871) 4.250 12.866 ( -0.000 2.073 14.099) 14.250 13.059 ( 0.000 -5.141 -10.386) 11.589 14.321 ( 0.000 -13.565 -18.957) 23.310 14.380 ( -0.000 32.549 2.998) 32.687 15.383 ( 0.000 1.153 -1.246) 1.698 16.193 ( 0.000 5.017 -8.875) 10.195 17.091 ( 0.000 -4.363 -3.134) 5.372 17.426 ( -0.000 9.693 3.602) 10.340 19.190 ( -0.000 3.707 19.684) 20.030 19.825 ( 0.000 -3.221 0.383) 3.244 19.918 ( -0.000 4.340 1.535) 4.603 20.354 ( 0.000 -0.407 -1.409) 1.467 ======================= Grid point 321 (105/189) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -0.000 0.000 35.101) 35.101 1.318 ( -0.000 0.000 35.101) 35.101 2.670 ( -0.000 0.000 68.439) 68.439 4.510 ( 0.000 -0.000 -1.301) 1.301 5.793 ( 0.000 0.000 -23.543) 23.543 5.793 ( 0.000 0.000 -23.543) 23.543 6.038 ( 0.000 -0.000 -8.500) 8.500 7.363 ( -0.000 0.000 15.636) 15.636 7.363 ( -0.000 -0.000 15.636) 15.636 8.372 ( -0.000 0.000 2.780) 2.780 8.372 ( -0.000 0.000 2.780) 2.780 9.303 ( 0.000 0.000 2.093) 2.093 9.303 ( -0.000 0.000 2.093) 2.093 9.533 ( 0.000 -0.000 -14.830) 14.830 10.053 ( -0.000 0.000 14.265) 14.265 10.053 ( -0.000 -0.000 14.265) 14.265 12.300 ( 0.000 -0.000 -3.178) 3.178 12.300 ( 0.000 -0.000 -3.178) 3.178 12.933 ( 0.000 -0.000 -1.413) 1.413 13.594 ( 0.000 0.000 1.013) 1.013 13.594 ( -0.000 -0.000 1.013) 1.013 13.602 ( 0.000 -0.000 -2.819) 2.819 16.443 ( -0.000 0.000 12.203) 12.203 16.443 ( -0.000 -0.000 12.203) 12.203 16.474 ( -0.000 0.000 7.228) 7.228 17.755 ( 0.000 -0.000 -5.516) 5.516 19.496 ( 0.000 0.000 -9.732) 9.732 19.496 ( 0.000 -0.000 -9.732) 9.732 19.915 ( -0.000 0.000 1.966) 1.966 20.073 ( -0.000 0.000 0.010) 0.010 ======================= Grid point 322 (106/189) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 10.755 6.210 28.961) 31.511 1.922 ( 21.736 12.549 31.713) 40.443 3.307 ( 21.263 12.276 59.061) 63.961 4.450 ( -4.645 -2.682 -0.757) 5.417 5.376 ( -11.030 -6.368 -22.421) 25.786 5.728 ( -3.684 -2.127 -15.421) 15.997 6.149 ( 13.211 7.627 -16.236) 22.278 7.021 ( -20.498 -11.834 12.792) 26.904 7.857 ( 16.909 9.762 16.791) 25.752 8.278 ( -6.807 -3.930 -3.554) 8.626 8.436 ( 1.017 0.587 4.749) 4.892 9.120 ( -8.707 -5.027 14.332) 17.507 9.375 ( -4.194 -2.421 -14.910) 15.677 9.576 ( 10.388 5.997 1.166) 12.051 9.840 ( -10.953 -6.324 12.450) 17.747 10.300 ( -0.612 -0.353 19.019) 19.032 12.006 ( -13.783 -7.958 3.455) 16.286 12.304 ( 2.254 1.301 -5.645) 6.216 12.827 ( 5.335 3.080 11.270) 12.844 13.255 ( -13.378 -7.724 -6.421) 16.729 13.685 ( 3.576 2.064 -0.156) 4.132 14.369 ( 33.817 19.524 -14.570) 41.678 15.995 ( -26.257 -15.160 12.635) 32.847 16.433 ( -5.089 -2.938 12.698) 13.992 16.949 ( 14.685 8.478 12.174) 20.874 17.639 ( -7.155 -4.131 -7.134) 10.916 19.390 ( -1.480 -0.855 -10.393) 10.532 19.400 ( -0.110 -0.064 -12.251) 12.252 20.045 ( 6.249 3.608 0.074) 7.216 20.065 ( -0.646 -0.373 0.286) 0.799 ======================= Grid point 323 (107/189) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 18.047 10.419 19.922) 28.829 2.541 ( 16.204 9.355 31.499) 36.637 4.271 ( 35.219 20.334 40.231) 57.205 4.317 ( -6.444 -3.721 0.735) 7.478 5.042 ( -7.645 -4.414 -18.891) 20.852 5.544 ( -5.360 -3.094 -8.914) 10.852 6.343 ( 13.067 7.544 -17.649) 23.219 6.614 ( -21.659 -12.505 9.322) 26.690 8.035 ( -10.051 -5.803 -9.743) 15.153 8.297 ( 11.003 6.352 16.994) 21.218 8.470 ( 1.258 0.726 2.781) 3.138 9.108 ( -4.125 -2.382 22.850) 23.341 9.178 ( -4.852 -2.801 -11.230) 12.550 9.587 ( -11.691 -6.750 12.632) 18.488 9.881 ( 8.821 5.093 -2.278) 10.438 10.364 ( -3.240 -1.871 23.544) 23.840 11.946 ( 5.240 3.025 -1.350) 6.199 12.255 ( -3.633 -2.098 -12.025) 12.736 12.980 ( -5.361 -3.095 -10.108) 11.853 13.114 ( 11.566 6.677 12.727) 18.448 13.784 ( 4.985 2.878 3.972) 6.993 14.808 ( 14.542 8.396 -9.730) 19.407 15.483 ( -26.967 -15.570 15.393) 34.736 16.377 ( -6.886 -3.976 12.650) 14.942 17.273 ( 7.613 4.395 13.111) 15.786 17.348 ( -13.887 -8.018 -10.899) 19.389 19.344 ( 2.346 1.354 -13.521) 13.790 19.347 ( 3.953 2.282 -13.662) 14.405 20.055 ( -0.541 -0.312 1.062) 1.232 20.140 ( 2.245 1.296 0.767) 2.704 ======================= Grid point 324 (108/189) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( 19.469 11.241 12.739) 25.839 3.046 ( 12.712 7.339 28.955) 32.463 4.215 ( -3.559 -2.055 4.416) 6.032 4.787 ( -6.112 -3.529 -14.975) 16.554 5.145 ( 16.869 9.739 2.376) 19.623 5.479 ( 7.685 4.437 13.905) 16.495 6.128 ( -19.394 -11.197 4.408) 22.824 6.609 ( 16.342 9.435 -11.117) 21.901 7.762 ( -7.450 -4.301 -12.978) 15.570 8.313 ( -8.228 -4.751 1.257) 9.584 8.699 ( 8.076 4.663 5.234) 10.694 9.073 ( -0.726 -0.419 2.323) 2.469 9.156 ( -4.953 -2.859 22.236) 22.960 9.382 ( -13.144 -7.589 13.332) 20.201 10.009 ( 4.642 2.680 -6.328) 8.293 10.498 ( 2.266 1.308 23.732) 23.876 11.985 ( -10.551 -6.091 -17.824) 21.590 12.125 ( 11.155 6.440 -4.890) 13.778 12.883 ( 1.486 0.858 -13.709) 13.816 13.432 ( 9.040 5.219 11.925) 15.848 13.976 ( 8.347 4.819 9.602) 13.605 14.962 ( -3.762 -2.172 6.527) 7.841 15.041 ( -13.471 -7.777 9.581) 18.269 16.294 ( -7.504 -4.332 12.533) 15.237 16.908 ( -17.269 -9.970 -16.374) 25.802 17.452 ( 1.382 0.798 12.544) 12.645 19.336 ( 4.441 2.564 -13.847) 14.766 19.378 ( 6.396 3.693 -14.573) 16.338 20.056 ( -0.252 -0.146 2.074) 2.095 20.165 ( -0.390 -0.225 1.471) 1.538 ======================= Grid point 325 (109/189) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.081 ( 18.891 10.907 7.675) 23.125 3.472 ( 10.927 6.309 23.898) 27.024 4.191 ( -4.136 -2.388 7.043) 8.510 4.611 ( -0.835 -0.482 -9.545) 9.594 5.100 ( -6.544 -3.778 -5.750) 9.495 5.402 ( -24.844 -14.344 4.540) 29.044 6.269 ( 22.277 12.861 -3.139) 25.914 7.029 ( 24.100 13.914 -0.318) 27.830 7.576 ( -1.122 -0.648 -10.892) 10.968 8.090 ( -10.193 -5.885 -3.204) 12.198 8.661 ( -9.748 -5.628 -6.339) 12.918 9.076 ( -10.139 -5.854 5.819) 13.074 9.153 ( -6.767 -3.907 19.482) 20.991 9.308 ( 0.945 0.546 24.560) 24.584 10.027 ( 2.121 1.224 -9.805) 10.106 10.743 ( 6.435 3.715 22.109) 23.324 11.655 ( -7.091 -4.094 -19.228) 20.899 12.326 ( 8.807 5.085 -6.084) 11.851 12.821 ( 1.020 0.589 -16.319) 16.362 13.630 ( 2.448 1.414 11.543) 11.884 14.227 ( 6.410 3.701 12.467) 14.499 14.691 ( -16.228 -9.369 21.209) 28.301 15.123 ( 6.698 3.867 1.453) 7.870 16.145 ( -14.884 -8.593 4.092) 17.667 16.490 ( -6.326 -3.652 -13.109) 15.006 17.492 ( -4.239 -2.447 11.379) 12.387 19.361 ( 5.448 3.145 -14.220) 15.549 19.440 ( 6.779 3.914 -13.143) 15.297 20.071 ( 0.199 0.115 3.125) 3.133 20.148 ( -1.843 -1.064 1.674) 2.708 ======================= Grid point 326 (110/189) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.518 ( 16.163 9.332 4.744) 19.257 3.816 ( 8.037 4.640 17.357) 19.682 4.025 ( -11.542 -6.664 0.475) 13.336 4.715 ( 10.974 6.336 2.830) 12.984 4.791 ( -26.034 -15.031 5.848) 30.625 4.954 ( -7.954 -4.592 -4.245) 10.118 6.656 ( 19.430 11.218 -17.037) 28.171 7.311 ( 6.015 3.473 -24.615) 25.576 7.840 ( 22.145 12.785 15.806) 30.061 7.851 ( -8.799 -5.080 -4.697) 11.193 8.258 ( -22.838 -13.185 -5.689) 26.977 8.797 ( -15.642 -9.031 4.033) 18.506 9.122 ( -5.888 -3.400 18.747) 19.942 9.488 ( -0.515 -0.297 21.386) 21.395 9.989 ( -0.427 -0.246 -9.394) 9.407 11.025 ( 6.675 3.854 19.257) 20.742 11.500 ( 4.450 2.569 -17.844) 18.569 12.401 ( 1.045 0.603 -5.026) 5.169 12.731 ( 0.105 0.060 -15.559) 15.559 13.730 ( 1.012 0.585 11.571) 11.630 14.339 ( -3.767 -2.175 9.454) 10.407 14.528 ( -10.854 -6.266 20.480) 24.011 15.321 ( 9.437 5.448 3.529) 11.454 15.710 ( -17.059 -9.849 -10.969) 22.546 16.505 ( 7.001 4.042 1.385) 8.201 17.420 ( -7.677 -4.432 9.910) 13.296 19.388 ( 4.884 2.820 -15.209) 16.221 19.513 ( 6.341 3.661 -10.396) 12.716 20.107 ( 1.159 0.669 3.972) 4.192 20.109 ( -2.537 -1.465 1.551) 3.315 ======================= Grid point 327 (111/189) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.577 ( -16.755 -9.673 4.609) 19.888 3.999 ( 0.335 0.194 8.760) 8.769 4.013 ( 15.177 8.763 -3.913) 17.957 4.240 ( -25.685 -14.829 6.014) 30.262 4.874 ( 1.739 1.004 2.619) 3.300 5.060 ( 15.778 9.110 8.738) 20.207 6.969 ( 18.907 10.916 -18.157) 28.396 7.256 ( 5.261 3.038 -28.152) 28.800 7.556 ( -29.249 -16.887 -10.805) 35.461 7.680 ( -11.790 -6.807 1.824) 13.735 8.368 ( 15.166 8.756 9.625) 19.983 8.483 ( -14.097 -8.139 3.882) 16.734 9.166 ( -0.147 -0.085 20.672) 20.673 9.515 ( -4.947 -2.856 7.944) 9.785 9.889 ( -6.172 -3.564 1.360) 7.256 11.240 ( 1.702 0.983 16.397) 16.514 11.617 ( 14.308 8.261 -17.879) 24.344 12.365 ( -0.284 -0.164 -2.086) 2.112 12.649 ( 0.378 0.218 -11.608) 11.616 13.795 ( -2.005 -1.157 6.754) 7.139 14.160 ( -13.365 -7.716 -1.470) 15.503 14.450 ( -7.685 -4.437 21.322) 23.096 15.374 ( -8.040 -4.642 -4.588) 10.356 15.565 ( 9.872 5.700 4.659) 12.315 16.725 ( 10.103 5.833 3.701) 12.239 17.304 ( -6.872 -3.967 7.646) 11.019 19.381 ( 3.335 1.926 -16.647) 17.086 19.594 ( 5.789 3.343 -7.024) 9.697 20.058 ( -2.775 -1.602 1.086) 3.384 20.171 ( 2.266 1.308 4.231) 4.975 ======================= Grid point 328 (112/189) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.150 ( -22.840 -13.186 6.155) 27.082 3.715 ( -25.911 -14.960 7.703) 30.895 3.990 ( -2.182 -1.260 2.876) 3.823 4.341 ( 15.670 9.047 -6.476) 19.218 5.057 ( 10.641 6.144 7.284) 14.284 5.481 ( 15.738 9.086 9.624) 20.563 6.670 ( -42.261 -24.399 -4.913) 49.045 7.144 ( 3.891 2.246 -20.926) 21.403 7.337 ( 20.317 11.730 -24.313) 33.786 7.540 ( -3.990 -2.304 0.025) 4.607 8.244 ( -9.912 -5.723 6.598) 13.211 8.612 ( 4.452 2.570 4.782) 7.020 9.361 ( 4.818 2.782 18.908) 19.709 9.414 ( -4.546 -2.625 -1.981) 5.611 9.724 ( -12.539 -7.239 11.194) 18.301 11.273 ( -7.162 -4.135 14.366) 16.576 11.797 ( 10.132 5.850 -21.895) 24.825 12.431 ( 7.405 4.275 -0.813) 8.589 12.615 ( 1.045 0.604 -5.575) 5.704 13.674 ( -10.992 -6.346 1.257) 12.754 13.861 ( -6.757 -3.901 -8.642) 11.644 14.443 ( -6.062 -3.500 22.850) 23.898 15.276 ( -1.550 -0.895 3.658) 4.072 15.805 ( 8.594 4.962 6.228) 11.716 16.954 ( 7.606 4.391 3.887) 9.604 17.241 ( -1.610 -0.930 3.886) 4.308 19.332 ( 2.128 1.228 -18.277) 18.441 19.685 ( 5.371 3.101 -3.522) 7.133 19.999 ( -2.835 -1.637 0.130) 3.276 20.252 ( 2.559 1.477 3.858) 4.860 ======================= Grid point 329 (113/189) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( -24.671 -14.244 11.896) 30.872 3.165 ( -28.545 -16.481 9.631) 34.339 4.013 ( 3.360 1.940 1.976) 4.354 4.590 ( 8.647 4.992 -8.605) 13.181 5.387 ( 14.068 8.122 8.640) 18.398 5.520 ( -34.543 -19.943 -1.079) 39.901 5.997 ( 3.315 1.914 5.497) 6.698 7.058 ( 1.226 0.708 -22.568) 22.612 7.500 ( -0.564 -0.326 4.179) 4.229 7.664 ( 19.900 11.489 -19.138) 29.905 8.138 ( -4.670 -2.696 12.581) 13.687 8.704 ( 2.527 1.459 4.047) 4.989 9.312 ( -3.714 -2.144 -5.306) 6.822 9.483 ( -15.237 -8.797 16.965) 24.441 9.543 ( 1.951 1.126 13.054) 13.247 11.130 ( -12.733 -7.351 13.109) 19.698 11.728 ( -3.210 -1.853 -23.623) 23.912 12.578 ( -2.668 -1.540 -2.705) 4.099 12.656 ( 12.870 7.430 -2.873) 15.136 13.361 ( -16.500 -9.526 0.597) 19.062 13.901 ( 15.395 8.889 -6.755) 19.017 14.423 ( -8.793 -5.077 21.991) 24.222 15.315 ( 1.697 0.980 5.988) 6.300 16.019 ( 6.651 3.840 7.765) 10.921 17.089 ( 2.241 1.294 3.441) 4.305 17.288 ( 4.712 2.720 -0.485) 5.462 19.258 ( 1.994 1.151 -19.719) 19.853 19.786 ( 4.575 2.641 -0.295) 5.291 19.934 ( -2.578 -1.489 -1.585) 3.373 20.323 ( 1.683 0.971 3.021) 3.592 ======================= Grid point 334 (114/189) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( -0.000 22.260 27.308) 35.231 2.056 ( -0.000 22.238 31.888) 38.876 3.630 ( -0.000 14.355 58.838) 60.564 4.454 ( 0.000 -4.250 -0.038) 4.250 5.164 ( 0.000 -17.841 -22.057) 28.369 5.767 ( 0.000 12.940 -23.838) 27.124 5.968 ( 0.000 2.913 -9.597) 10.030 7.120 ( 0.000 -22.617 12.892) 26.033 7.925 ( -0.000 15.632 15.811) 22.234 8.222 ( 0.000 -13.786 -4.292) 14.438 8.496 ( -0.000 3.730 6.339) 7.355 9.163 ( 0.000 -9.071 -4.314) 10.044 9.416 ( -0.000 7.888 -0.541) 7.907 9.528 ( -0.000 8.701 4.624) 9.853 9.843 ( -0.000 -20.278 16.512) 26.150 10.542 ( -0.000 17.172 9.871) 19.807 11.932 ( 0.000 -29.394 3.288) 29.577 12.340 ( -0.000 5.895 -1.471) 6.075 12.554 ( 0.000 -14.496 5.676) 15.568 13.413 ( 0.000 -8.407 -4.032) 9.324 13.985 ( -0.000 21.615 1.270) 21.653 14.111 ( -0.000 40.962 -18.958) 45.136 15.981 ( 0.000 -36.169 12.877) 38.393 16.683 ( -0.000 1.475 18.846) 18.904 16.960 ( -0.000 14.390 11.751) 18.579 17.603 ( 0.000 -7.405 -7.504) 10.543 19.135 ( 0.000 -16.141 -11.855) 20.027 19.447 ( 0.000 5.590 -11.184) 12.503 20.061 ( 0.000 -1.361 0.278) 1.389 20.072 ( -0.000 10.066 -1.248) 10.143 ======================= Grid point 335 (115/189) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -0.810 24.683 22.909) 33.686 2.622 ( 12.701 18.734 29.748) 37.379 4.280 ( 18.151 18.896 43.757) 51.002 4.374 ( -4.032 -4.311 1.830) 6.180 4.876 ( 0.274 -13.702 -19.003) 23.430 5.625 ( -8.881 7.058 -15.164) 18.938 6.084 ( 12.642 5.868 -13.953) 19.721 6.841 ( -14.818 -20.087 10.684) 27.152 7.962 ( -4.806 -18.011 -8.328) 20.417 8.266 ( 10.762 6.154 14.302) 18.927 8.558 ( -1.988 5.607 4.910) 7.714 9.024 ( 0.437 -8.477 -7.195) 11.127 9.435 ( -9.026 9.016 11.991) 17.508 9.726 ( -5.101 -8.571 11.864) 15.500 9.773 ( 9.188 4.197 7.004) 12.291 10.654 ( -9.664 10.445 12.567) 18.985 11.766 ( 8.591 -16.093 0.393) 18.247 12.267 ( -7.257 0.100 -7.698) 10.580 12.677 ( 15.382 -8.016 3.969) 17.794 13.261 ( -5.278 0.926 -3.109) 6.195 14.009 ( -10.671 26.701 -0.625) 28.761 14.612 ( 17.089 21.723 -12.282) 30.245 15.624 ( -9.726 -35.736 15.234) 40.046 16.663 ( -13.514 2.992 17.962) 22.676 17.260 ( 8.697 5.122 13.495) 16.851 17.390 ( -8.785 -10.090 -9.133) 16.199 18.982 ( 8.823 -13.949 -13.720) 21.463 19.414 ( -2.084 8.111 -12.544) 15.083 20.047 ( 0.028 -1.927 0.952) 2.150 20.159 ( 0.855 6.465 -1.429) 6.676 ======================= Grid point 336 (116/189) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 5.295 22.215 16.844) 28.377 3.134 ( 9.385 11.727 29.033) 32.688 4.279 ( -3.400 -2.142 3.746) 5.493 4.659 ( 1.153 -9.816 -15.535) 18.413 5.031 ( 17.462 16.806 13.128) 27.563 5.520 ( -0.198 6.028 1.079) 6.127 6.268 ( 5.533 1.877 -9.200) 10.898 6.453 ( -9.647 -11.804 7.624) 17.045 7.631 ( -3.215 -20.568 -12.718) 24.395 8.394 ( -4.218 -4.290 1.248) 6.144 8.698 ( 4.823 10.221 4.811) 12.283 8.999 ( 6.417 -3.611 3.869) 8.318 9.422 ( -9.303 -0.280 17.012) 19.392 9.591 ( -10.329 -5.461 12.966) 17.454 9.991 ( 2.664 10.172 1.242) 10.588 10.670 ( -4.798 3.312 17.057) 18.026 11.865 ( 14.208 -6.040 -7.148) 17.012 12.009 ( -9.811 -4.582 -14.685) 18.246 12.828 ( 3.963 2.919 -1.729) 5.217 13.312 ( 9.082 1.444 2.201) 9.456 14.149 ( -3.724 23.442 5.101) 24.278 14.915 ( 7.842 11.903 -5.281) 15.201 15.211 ( -12.041 -31.459 17.908) 38.149 16.564 ( -13.847 2.544 16.439) 21.643 16.980 ( -16.245 -12.956 -14.683) 25.443 17.490 ( 4.242 -0.077 13.586) 14.233 18.978 ( 13.674 -9.059 -14.200) 21.695 19.393 ( -0.835 9.860 -13.859) 17.029 20.041 ( 0.769 -2.562 2.048) 3.369 20.200 ( -0.611 3.341 -0.777) 3.484 ======================= Grid point 337 (117/189) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.041 ( 9.004 18.276 11.581) 23.435 3.531 ( 7.880 6.663 25.238) 27.266 4.277 ( -2.257 -0.582 8.827) 9.130 4.510 ( 1.898 -4.722 -11.535) 12.608 5.136 ( -4.904 2.267 -10.390) 11.710 5.666 ( -13.232 -9.761 6.198) 17.572 6.061 ( 6.801 3.458 -5.096) 9.175 6.763 ( 22.439 10.718 4.823) 25.331 7.354 ( 4.593 -19.816 -9.435) 22.423 8.219 ( -9.662 -0.204 -6.909) 11.880 8.774 ( -6.071 3.665 -0.690) 7.125 9.153 ( 1.949 -2.477 8.167) 8.754 9.352 ( -4.575 -6.868 17.885) 19.697 9.476 ( -9.040 -0.335 18.947) 20.996 10.044 ( -4.985 7.875 -4.733) 10.453 10.805 ( 4.444 1.622 18.706) 19.295 11.628 ( -9.452 -6.658 -18.793) 22.064 12.084 ( 14.960 -0.435 -9.276) 17.608 12.862 ( -4.929 12.691 -7.075) 15.343 13.519 ( 12.714 -5.134 6.102) 15.008 14.352 ( -1.697 13.746 9.888) 17.017 14.884 ( -8.653 -22.371 21.024) 31.896 15.092 ( 4.706 8.525 -0.063) 9.738 16.405 ( -22.297 -7.234 -3.021) 23.635 16.514 ( -7.857 -2.236 -2.321) 8.492 17.574 ( -0.731 -4.228 10.888) 11.703 19.062 ( 13.560 -4.668 -12.538) 19.049 19.404 ( 1.123 9.919 -14.182) 17.343 20.048 ( 1.393 -3.126 3.047) 4.582 20.199 ( -1.802 1.866 -0.397) 2.625 ======================= Grid point 338 (118/189) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.428 ( 11.334 14.416 7.697) 19.888 3.833 ( 6.596 1.248 18.136) 19.339 4.161 ( -10.256 -5.932 2.878) 12.192 4.620 ( 10.782 7.835 3.080) 13.680 4.977 ( -7.059 -2.760 -5.422) 9.319 5.152 ( -26.638 -15.977 3.569) 31.267 6.312 ( 18.693 7.038 -17.582) 26.610 6.954 ( 9.128 -14.447 -21.629) 27.566 7.596 ( 24.789 5.001 17.600) 30.810 8.020 ( -10.314 5.114 -9.594) 14.986 8.568 ( -20.320 1.483 -0.068) 20.374 8.996 ( -13.914 -6.573 2.234) 15.549 9.333 ( -6.665 -3.215 20.334) 21.638 9.577 ( 1.713 -3.447 19.035) 19.420 9.971 ( -3.309 2.428 -5.934) 7.215 11.045 ( 7.823 2.041 16.341) 18.231 11.374 ( -1.337 -0.577 -17.452) 17.513 12.225 ( 10.224 -2.409 -10.222) 14.657 12.830 ( -9.417 15.790 -9.079) 20.505 13.690 ( 9.132 -6.725 9.877) 15.039 14.392 ( -3.772 -9.303 11.988) 15.636 14.760 ( -7.661 -6.172 17.037) 19.674 15.272 ( 6.457 7.595 4.064) 10.765 15.871 ( -19.771 -5.591 -16.398) 26.288 16.508 ( -0.373 3.982 8.350) 9.258 17.528 ( -4.738 -7.007 7.880) 11.560 19.166 ( 10.469 -1.066 -11.153) 15.333 19.441 ( 2.804 8.437 -13.115) 15.845 20.062 ( 1.586 -3.666 3.451) 5.279 20.181 ( -1.927 1.829 -0.114) 2.659 ======================= Grid point 339 (119/189) ======================= q-point: (-0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.737 ( -2.571 -0.821 8.257) 8.687 3.856 ( 3.128 -0.712 -1.258) 3.446 4.081 ( -1.466 1.588 9.253) 9.502 4.566 ( -25.703 -14.906 5.023) 30.135 4.873 ( -1.302 -1.421 0.015) 1.927 4.974 ( 14.147 12.487 9.119) 20.957 6.590 ( 21.006 6.992 -20.454) 30.142 6.812 ( 11.874 -19.922 -22.402) 32.245 7.783 ( -15.161 5.131 -12.889) 20.551 7.992 ( -10.295 -1.985 3.454) 11.039 8.327 ( 0.140 9.810 10.800) 14.591 8.687 ( -15.851 -5.902 2.503) 17.098 9.352 ( -4.694 0.577 21.927) 22.432 9.556 ( -3.919 -7.907 1.769) 9.000 9.951 ( -1.173 -3.545 8.067) 8.889 11.236 ( 7.176 -1.725 2.059) 7.662 11.419 ( 9.254 9.386 -4.717) 13.999 12.263 ( 5.441 -2.963 -8.319) 10.373 12.747 ( -10.508 13.873 -8.328) 19.293 13.815 ( 3.806 -4.513 9.646) 11.309 14.239 ( -8.184 -14.423 4.462) 17.173 14.602 ( -8.606 -12.423 10.976) 18.678 15.460 ( -0.201 3.069 2.219) 3.792 15.569 ( -3.871 8.580 -1.511) 9.533 16.660 ( 6.846 4.574 7.360) 11.043 17.400 ( -6.043 -7.723 4.919) 10.971 19.234 ( 5.371 2.549 -12.640) 13.968 19.500 ( 4.783 5.551 -9.390) 11.910 20.059 ( -0.216 -3.450 2.033) 4.010 20.188 ( 0.503 2.048 1.124) 2.390 ======================= Grid point 340 (120/189) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.415 ( -19.314 -13.030 6.594) 24.214 4.038 ( -10.691 -6.973 4.847) 13.653 4.053 ( -15.814 -8.555 5.464) 18.792 4.146 ( 11.412 7.587 -2.510) 13.932 4.969 ( 9.199 2.566 5.464) 11.003 5.413 ( 14.290 14.796 10.709) 23.191 6.701 ( 14.131 -21.019 -20.413) 32.530 6.866 ( 14.761 1.648 -17.336) 22.829 7.245 ( -32.032 -0.882 -10.304) 33.660 7.794 ( -13.519 13.027 -4.077) 19.211 8.409 ( -10.912 -5.115 5.765) 13.359 8.599 ( 5.569 4.290 8.330) 10.899 9.387 ( -2.418 -8.454 0.049) 8.794 9.484 ( -0.441 3.100 16.909) 17.197 9.893 ( -7.220 -9.059 13.619) 17.879 11.314 ( 5.072 -5.580 -1.229) 7.641 11.658 ( 6.286 13.847 -4.848) 15.961 12.294 ( 7.199 -0.413 -6.799) 9.911 12.676 ( -6.404 10.804 -5.272) 13.621 13.778 ( -7.887 -8.199 4.050) 12.076 13.911 ( -11.197 -7.986 -7.755) 15.789 14.513 ( 2.078 -14.248 18.001) 23.051 15.401 ( -7.248 5.619 4.060) 10.029 15.766 ( 7.677 6.418 7.400) 12.446 16.873 ( 8.714 1.885 6.280) 10.906 17.271 ( -3.256 -5.546 1.484) 6.599 19.233 ( 0.740 5.453 -15.921) 16.845 19.593 ( 6.284 3.184 -4.286) 8.246 20.018 ( -1.980 -2.298 0.184) 3.039 20.243 ( 2.533 1.475 1.750) 3.414 ======================= Grid point 341 (121/189) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( -21.691 -13.363 11.747) 28.054 3.544 ( -26.375 -13.034 6.991) 30.239 4.000 ( -0.012 -1.637 3.713) 4.058 4.413 ( 12.806 7.000 -5.460) 15.582 5.242 ( 14.736 3.180 6.398) 16.377 5.781 ( 1.181 9.476 5.513) 11.027 6.288 ( -38.094 -9.126 0.942) 39.184 6.662 ( 14.396 -16.992 -18.409) 28.894 7.310 ( 20.456 12.387 -19.390) 30.788 7.709 ( -9.765 13.614 -2.516) 16.942 8.277 ( -6.095 -2.366 11.300) 13.055 8.731 ( 1.573 2.968 6.771) 7.558 9.277 ( -0.345 -6.604 -2.119) 6.944 9.599 ( -1.134 -4.035 12.537) 13.219 9.731 ( -10.705 -7.468 17.556) 21.876 11.248 ( -3.510 -10.055 -0.410) 10.658 11.754 ( -6.103 13.805 -9.807) 18.000 12.414 ( 11.327 0.007 -7.887) 13.803 12.671 ( -3.006 8.068 -2.905) 9.086 13.539 ( -11.361 -8.600 3.331) 14.633 13.739 ( 2.887 1.870 -6.828) 7.646 14.536 ( 0.418 -13.360 20.150) 24.181 15.383 ( -3.829 2.872 5.389) 7.208 15.991 ( 7.204 3.436 9.146) 12.139 17.040 ( 7.123 -1.513 4.325) 8.469 17.223 ( 1.753 -1.906 -1.588) 3.037 19.181 ( -1.515 7.656 -18.051) 19.666 19.711 ( 6.417 2.170 -0.582) 6.799 19.955 ( -2.899 -1.465 -1.532) 3.592 20.308 ( 2.592 0.536 1.219) 2.914 ======================= Grid point 347 (122/189) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( -0.000 24.635 20.265) 31.899 2.889 ( -0.000 24.839 27.882) 37.341 4.383 ( -0.000 -4.379 3.643) 5.697 4.514 ( -0.000 6.566 8.866) 11.033 4.669 ( -0.000 -0.400 9.676) 9.684 5.685 ( 0.000 7.802 -22.726) 24.028 5.941 ( 0.000 4.093 -2.749) 4.931 6.815 ( 0.000 -23.230 9.392) 25.057 7.748 ( 0.000 -23.911 -11.798) 26.663 8.305 ( -0.000 2.524 16.010) 16.208 8.660 ( -0.000 4.272 7.203) 8.374 8.883 ( 0.000 -4.355 -13.937) 14.602 9.677 ( -0.000 -13.801 16.719) 21.680 9.779 ( -0.000 15.123 15.965) 21.991 9.820 ( -0.000 10.656 4.699) 11.646 10.936 ( -0.000 15.259 2.370) 15.442 11.471 ( 0.000 -22.309 2.822) 22.486 12.401 ( 0.000 -0.485 -3.168) 3.205 12.411 ( 0.000 -5.104 -1.070) 5.215 13.284 ( -0.000 1.572 0.238) 1.590 14.428 ( -0.000 23.051 0.023) 23.051 14.572 ( -0.000 31.150 -16.642) 35.317 15.416 ( 0.000 -40.233 15.787) 43.219 16.925 ( -0.000 -3.719 18.733) 19.099 17.308 ( -0.000 5.948 12.497) 13.840 17.318 ( 0.000 -10.217 -6.340) 12.024 18.675 ( 0.000 -13.642 -13.864) 19.450 19.421 ( 0.000 6.595 -12.476) 14.112 20.032 ( 0.000 -2.469 1.251) 2.768 20.200 ( -0.000 5.689 -2.690) 6.293 ======================= Grid point 348 (123/189) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( -3.011 23.315 16.818) 28.905 3.328 ( 3.981 17.425 26.788) 32.204 4.327 ( -2.342 -1.623 -1.009) 3.023 4.436 ( 3.441 -7.048 -9.823) 12.570 5.045 ( 9.537 15.365 13.705) 22.691 5.567 ( -2.333 4.033 -13.343) 14.133 6.104 ( 10.701 6.789 3.450) 13.134 6.558 ( -10.155 -20.573 8.538) 24.480 7.376 ( -4.165 -26.890 -14.054) 30.625 8.403 ( -0.412 -4.877 7.668) 9.096 8.756 ( 2.408 6.686 4.970) 8.672 8.846 ( 7.747 -2.120 -4.288) 9.105 9.591 ( -5.809 -11.925 14.874) 19.929 9.853 ( -9.571 10.334 10.806) 17.753 10.107 ( 3.610 15.677 9.972) 18.927 10.912 ( -11.260 2.968 5.573) 12.910 11.485 ( 16.195 -8.058 -6.301) 19.155 12.081 ( -14.348 -5.420 -10.693) 18.697 12.648 ( 17.773 -3.981 2.814) 18.429 13.332 ( -2.437 10.722 1.545) 11.103 14.516 ( -8.751 25.359 -1.144) 26.851 14.886 ( 8.884 19.280 -7.483) 22.508 15.099 ( -3.685 -37.784 16.773) 41.504 16.843 ( -8.500 -8.990 2.674) 12.657 17.089 ( -15.815 -5.093 4.164) 17.129 17.481 ( 5.083 -1.360 11.777) 12.899 18.587 ( 11.870 -8.454 -12.351) 19.103 19.401 ( -0.409 7.143 -13.335) 15.133 20.019 ( 0.320 -2.808 2.196) 3.579 20.227 ( -0.070 3.126 -2.506) 4.007 ======================= Grid point 349 (124/189) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.252 ( -0.093 20.476 12.572) 24.028 3.654 ( 2.522 7.100 23.526) 24.703 4.339 ( 5.985 2.109 -8.490) 10.600 4.379 ( -3.110 -2.324 8.164) 9.040 5.173 ( -3.853 4.708 -12.731) 14.110 5.633 ( 8.990 1.437 -7.053) 11.517 6.101 ( -14.279 -12.629 0.837) 19.081 6.588 ( 14.853 7.356 13.215) 21.198 6.998 ( 4.023 -25.682 -8.714) 27.417 8.308 ( -6.257 -0.220 -5.122) 8.089 8.862 ( 0.881 1.795 4.482) 4.908 9.042 ( 13.167 -1.500 5.262) 14.259 9.450 ( -7.543 -10.944 13.177) 18.717 9.813 ( -13.581 7.303 13.004) 20.171 10.258 ( -8.398 12.327 1.936) 15.041 10.860 ( 0.322 -1.495 11.619) 11.720 11.548 ( 0.821 -8.417 -16.890) 18.889 11.837 ( 3.238 2.267 -9.939) 10.696 12.926 ( 13.620 0.065 6.096) 14.923 13.399 ( -2.213 10.910 -2.002) 11.311 14.587 ( -7.195 2.406 8.421) 11.334 14.855 ( -0.671 -16.534 14.823) 22.216 15.120 ( 4.464 13.177 -1.481) 13.991 16.491 ( -14.125 -12.590 -18.736) 26.628 16.842 ( -18.113 0.781 17.531) 25.220 17.562 ( 2.428 -6.549 6.815) 9.759 18.714 ( 15.656 -2.930 -7.517) 17.612 19.388 ( 0.584 7.828 -14.012) 16.061 20.018 ( 0.904 -3.102 3.304) 4.621 20.227 ( -0.664 1.355 -2.110) 2.594 ======================= Grid point 350 (125/189) ======================= q-point: ( 0.58 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.523 ( 3.103 16.646 9.006) 19.178 3.845 ( 2.856 -1.799 14.636) 15.020 4.281 ( -5.853 -2.399 4.793) 7.936 4.563 ( 9.258 10.470 7.131) 15.690 5.021 ( -6.201 -1.107 -9.756) 11.613 5.434 ( -21.554 -15.226 1.279) 26.421 5.982 ( 12.410 2.698 -15.767) 20.245 6.527 ( 4.060 -23.481 -19.105) 30.542 7.351 ( 25.698 7.542 20.669) 33.830 8.167 ( -8.248 5.746 -9.628) 13.919 8.854 ( -8.022 1.293 3.959) 9.038 9.120 ( -5.664 -5.499 1.158) 7.979 9.403 ( 4.991 -8.817 16.179) 19.090 9.740 ( -11.469 4.388 13.087) 17.946 10.115 ( -13.498 2.674 -2.204) 13.935 11.009 ( 6.967 -0.037 9.418) 11.715 11.312 ( -3.788 -2.726 -12.877) 13.697 11.968 ( 11.416 3.031 -11.684) 16.614 13.124 ( -3.797 14.609 2.322) 15.272 13.473 ( 8.843 -2.956 1.602) 9.461 14.415 ( -5.463 -22.228 15.693) 27.752 14.886 ( -3.577 -0.174 7.597) 8.399 15.300 ( 3.753 9.628 4.341) 11.209 16.011 ( -15.663 -3.417 -20.488) 26.015 16.711 ( -10.954 1.594 15.001) 18.643 17.528 ( -0.668 -9.199 2.341) 9.515 18.917 ( 13.339 0.585 -3.621) 13.834 19.397 ( 1.780 7.822 -14.183) 16.294 20.030 ( 1.239 -3.131 4.095) 5.301 20.209 ( -0.952 0.713 -1.971) 2.302 ======================= Grid point 351 (126/189) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.777 ( 5.348 9.253 6.350) 12.432 3.854 ( -3.664 -6.233 2.580) 7.677 4.217 ( -6.342 -0.208 12.100) 13.663 4.823 ( -14.168 -10.920 -0.534) 17.896 4.906 ( 1.028 3.680 1.222) 4.012 4.959 ( -2.099 4.123 8.604) 9.769 6.167 ( 17.906 -0.339 -21.761) 28.183 6.303 ( 10.436 -18.159 -17.186) 27.093 7.906 ( 16.573 5.927 11.277) 20.904 8.016 ( -9.951 7.403 -10.182) 16.047 8.669 ( -17.728 2.949 5.240) 18.720 8.903 ( -12.905 -4.625 1.047) 13.749 9.510 ( 1.370 -6.194 17.148) 18.284 9.592 ( -10.594 -3.255 -1.645) 11.204 9.995 ( -3.333 -2.362 11.060) 11.790 11.061 ( 5.114 -2.654 -12.527) 13.788 11.380 ( 7.915 6.742 8.981) 13.739 12.077 ( 7.759 1.406 -11.645) 14.064 13.098 ( -15.760 18.953 -4.726) 25.099 13.667 ( 13.937 -7.512 9.111) 18.267 14.228 ( -3.923 -19.769 12.831) 23.892 14.669 ( -13.363 -14.542 -3.708) 20.094 15.492 ( 4.590 6.866 8.221) 11.653 15.753 ( -8.505 9.192 -8.379) 15.067 16.705 ( -1.724 2.257 11.418) 11.766 17.404 ( -3.089 -10.165 -0.621) 10.642 19.103 ( 8.418 3.737 -2.870) 9.647 19.422 ( 3.191 6.483 -12.774) 14.676 20.044 ( 0.549 -2.631 3.892) 4.729 20.194 ( 0.087 0.754 -1.715) 1.876 ======================= Grid point 352 (127/189) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.615 ( -13.808 -10.979 5.339) 18.431 3.997 ( 7.594 4.938 -3.494) 9.709 4.165 ( -7.846 -1.560 11.248) 13.802 4.359 ( -21.287 -10.530 3.173) 23.960 4.882 ( 5.089 -0.956 3.120) 6.045 5.401 ( 15.216 17.626 11.473) 25.958 6.112 ( 13.920 -22.116 -19.727) 32.743 6.490 ( 20.387 7.193 -17.336) 27.711 7.714 ( -25.966 4.824 -10.667) 28.484 8.093 ( -7.762 6.955 0.494) 10.434 8.529 ( -5.181 -1.954 6.961) 8.895 8.698 ( -8.187 2.903 6.640) 10.934 9.329 ( -4.797 -11.177 -3.472) 12.649 9.621 ( 0.182 -1.910 15.033) 15.155 9.988 ( -4.456 -6.017 15.942) 17.613 11.083 ( 9.424 -2.445 -13.766) 16.861 11.670 ( 9.334 9.745 8.581) 15.992 12.126 ( 6.120 0.617 -10.917) 12.531 12.965 ( -15.483 15.881 -4.884) 22.711 13.802 ( 2.011 -8.027 7.041) 10.866 13.971 ( -13.149 -11.273 -5.460) 18.160 14.385 ( 3.033 -17.704 9.087) 20.130 15.610 ( -5.788 4.977 5.928) 9.665 15.768 ( 3.670 6.975 4.118) 8.892 16.812 ( 4.284 0.371 8.254) 9.307 17.249 ( -2.480 -8.531 -2.692) 9.283 19.210 ( 1.315 8.026 -8.231) 11.571 19.486 ( 6.318 3.490 -6.162) 9.491 20.034 ( -1.591 -1.429 1.720) 2.745 20.215 ( 2.413 0.460 -0.583) 2.525 ======================= Grid point 353 (128/189) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.284 ( -18.270 -10.505 10.180) 23.405 3.854 ( -20.445 -9.685 0.018) 22.623 4.028 ( -2.906 -4.215 3.985) 6.488 4.292 ( 5.874 6.986 3.210) 9.675 5.053 ( 12.787 -1.207 4.010) 13.456 5.867 ( 7.278 17.401 8.060) 20.511 6.056 ( 20.361 -19.177 -15.785) 32.117 6.738 ( 1.866 4.256 -9.420) 10.504 7.186 ( -22.577 7.694 -12.088) 26.740 7.995 ( -11.286 11.586 -2.597) 16.382 8.428 ( -6.468 -2.606 8.963) 11.356 8.773 ( 2.314 3.125 8.147) 9.027 9.183 ( 0.781 -9.768 -0.494) 9.811 9.628 ( -2.188 -10.985 8.544) 14.087 9.947 ( -7.814 -1.919 19.914) 21.478 11.095 ( 5.260 -6.537 -13.002) 15.475 11.926 ( 2.146 12.203 3.442) 12.859 12.183 ( 8.861 0.795 -11.573) 14.597 12.854 ( -10.571 11.507 -3.160) 15.941 13.601 ( -7.964 -6.049 -1.606) 10.129 13.754 ( -4.919 -4.798 -2.003) 7.158 14.440 ( 7.499 -14.928 17.552) 24.231 15.540 ( -8.232 1.398 3.102) 8.908 15.957 ( 6.957 1.721 9.529) 11.924 16.910 ( 5.323 -4.355 1.775) 7.103 17.167 ( 1.784 -3.357 -0.969) 3.923 19.214 ( -2.817 11.092 -13.567) 17.749 19.614 ( 7.415 2.100 0.086) 7.707 19.988 ( -3.157 -0.437 -0.853) 3.299 20.263 ( 3.178 -0.403 -0.146) 3.206 ======================= Grid point 360 (129/189) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.274 ( -0.000 12.903 14.638) 19.513 3.665 ( -0.000 21.877 23.208) 31.894 4.231 ( 0.000 -0.233 -15.921) 15.923 4.422 ( -0.000 0.703 10.320) 10.344 5.160 ( -0.000 12.470 2.096) 12.645 5.484 ( 0.000 -0.390 -21.351) 21.354 6.168 ( -0.000 9.542 20.189) 22.330 6.468 ( 0.000 -22.432 5.283) 23.046 7.067 ( 0.000 -27.972 -14.418) 31.469 8.419 ( -0.000 -10.496 15.615) 18.815 8.708 ( 0.000 4.266 -13.801) 14.445 8.814 ( -0.000 2.437 6.270) 6.727 9.606 ( -0.000 -11.854 12.865) 17.494 10.133 ( -0.000 14.340 3.778) 14.829 10.304 ( -0.000 15.772 18.950) 24.655 11.125 ( 0.000 -15.069 -1.248) 15.121 11.147 ( 0.000 9.975 -9.767) 13.961 12.209 ( 0.000 -10.834 -4.588) 11.765 12.321 ( 0.000 -1.133 -3.565) 3.741 13.523 ( -0.000 15.659 6.849) 17.091 14.837 ( 0.000 -34.035 19.519) 39.234 14.851 ( -0.000 20.619 -0.521) 20.625 14.945 ( 0.000 18.382 -12.087) 22.000 16.746 ( 0.000 -15.265 -10.916) 18.767 17.308 ( -0.000 -3.489 18.839) 19.159 17.465 ( -0.000 -2.979 6.109) 6.797 18.337 ( 0.000 -4.640 -8.831) 9.975 19.384 ( 0.000 6.097 -12.990) 14.350 20.004 ( -0.000 -2.949 2.703) 4.000 20.234 ( 0.000 1.798 -2.818) 3.343 ======================= Grid point 361 (130/189) ======================= q-point: ( 0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.451 ( 1.984 6.320 10.348) 12.287 3.924 ( -6.269 15.000 16.507) 23.168 4.227 ( 4.712 6.408 -6.652) 10.368 4.508 ( -1.934 4.224 14.583) 15.305 5.197 ( -3.966 4.736 -14.528) 15.787 5.418 ( 8.444 1.134 -15.585) 17.762 6.177 ( -8.701 -17.423 3.266) 19.747 6.561 ( 8.833 5.241 18.742) 21.371 6.660 ( -0.671 -24.338 -8.184) 25.686 8.359 ( -3.222 -6.529 4.263) 8.438 8.781 ( 9.635 -1.293 -2.440) 10.023 8.898 ( 4.370 2.243 3.633) 6.110 9.531 ( -4.803 -10.217 10.764) 15.599 10.185 ( -11.025 11.889 6.671) 17.533 10.539 ( -5.657 13.073 9.819) 17.302 10.902 ( -3.674 -5.336 2.075) 6.802 11.269 ( 10.256 -2.330 -16.506) 19.572 11.892 ( -11.912 -1.391 -6.007) 13.413 12.577 ( 22.376 -4.892 1.652) 22.964 13.669 ( -6.795 17.545 4.288) 19.298 14.574 ( -2.677 -35.864 20.273) 41.284 14.960 ( -4.133 17.400 -1.637) 17.959 15.165 ( 5.380 16.581 -4.261) 17.945 16.449 ( -8.244 -12.642 -17.154) 22.848 17.234 ( -15.517 -3.335 18.035) 24.024 17.464 ( 2.880 -7.086 -1.003) 7.714 18.418 ( 13.782 -0.353 -0.631) 13.800 19.365 ( 0.287 6.412 -12.668) 14.201 19.998 ( 0.525 -3.023 3.541) 4.685 20.227 ( -0.168 0.623 -2.505) 2.587 ======================= Grid point 362 (131/189) ======================= q-point: ( 0.58 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.610 ( 5.636 1.820 7.715) 9.726 3.984 ( -7.572 9.831 5.778) 13.689 4.363 ( 1.579 5.249 7.002) 8.893 4.636 ( 0.690 8.326 14.556) 16.784 5.036 ( -5.100 -1.076 -12.866) 13.881 5.475 ( 3.518 0.222 -14.467) 14.891 5.869 ( -8.827 -11.962 -0.321) 14.870 6.168 ( -4.703 -25.724 -14.632) 29.965 7.151 ( 22.933 8.538 21.346) 32.472 8.273 ( -4.307 1.865 -4.382) 6.421 8.873 ( 4.680 -6.485 4.437) 9.145 9.050 ( 8.773 -0.478 -0.366) 8.794 9.398 ( -6.005 -9.056 9.899) 14.699 10.114 ( -15.047 10.126 6.764) 19.357 10.386 ( -17.292 -0.793 -0.738) 17.326 10.937 ( 3.560 -1.310 -2.432) 4.506 11.255 ( 2.867 -1.119 -3.443) 4.618 11.815 ( 3.286 6.748 -9.125) 11.815 12.936 ( 23.413 -5.613 6.094) 24.836 13.676 ( -13.208 17.217 -1.311) 21.739 14.331 ( -2.561 -30.477 19.254) 36.141 15.001 ( -5.675 4.019 -1.051) 7.033 15.363 ( 3.710 10.868 2.222) 11.696 16.080 ( -10.706 -1.619 -20.154) 22.878 17.032 ( -15.649 -3.483 15.963) 22.624 17.416 ( 2.168 -7.941 -5.214) 9.744 18.690 ( 15.224 1.404 4.284) 15.877 19.362 ( 0.837 7.176 -12.533) 14.466 20.008 ( 1.129 -2.858 4.431) 5.393 20.210 ( -0.524 0.176 -2.410) 2.473 ======================= Grid point 363 (132/189) ======================= q-point: ( 0.67 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.748 ( 5.542 -3.884 6.633) 9.476 3.955 ( -6.684 6.614 -1.246) 9.486 4.419 ( -6.056 1.291 15.024) 16.250 4.863 ( -3.268 -0.866 -7.127) 7.888 4.898 ( 7.348 6.680 8.349) 12.974 5.199 ( -19.874 -8.132 -1.195) 21.506 5.770 ( 6.943 -10.666 -12.955) 18.161 5.931 ( 9.761 -4.755 -12.880) 16.846 7.707 ( 21.238 4.409 14.893) 26.311 8.189 ( -6.988 7.652 -8.711) 13.538 8.871 ( -1.154 -6.694 5.633) 8.825 9.016 ( -8.805 -3.946 -1.909) 9.836 9.407 ( 9.039 -8.645 10.248) 16.170 9.854 ( -23.345 2.953 -10.080) 25.599 10.186 ( -9.050 -0.510 16.751) 19.046 10.875 ( 2.780 -4.240 -16.434) 17.199 11.397 ( 5.318 6.130 12.994) 15.319 11.911 ( 6.766 6.274 -12.339) 15.408 13.306 ( 20.891 -4.893 8.477) 23.070 13.563 ( -15.794 14.632 -4.468) 21.989 14.149 ( -1.142 -23.917 17.054) 29.397 14.740 ( -15.901 -11.899 -10.289) 22.367 15.538 ( 3.926 6.817 7.200) 10.664 15.895 ( -5.285 10.098 -12.633) 17.014 16.883 ( -9.141 -2.610 13.892) 16.833 17.313 ( -0.456 -8.492 -7.039) 11.039 18.976 ( 12.321 2.847 6.029) 14.009 19.372 ( 1.078 7.606 -12.750) 14.885 20.035 ( 1.341 -2.218 5.090) 5.712 20.186 ( -0.533 0.286 -2.853) 2.917 ======================= Grid point 364 (133/189) ======================= q-point: (-0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.733 ( -6.565 -7.250 6.093) 11.523 3.915 ( 1.374 0.245 -6.063) 6.221 4.407 ( -8.378 1.232 16.718) 18.740 4.605 ( -17.954 -8.335 -1.679) 19.865 4.849 ( -4.665 -2.856 0.352) 5.481 5.259 ( 19.444 -1.438 -3.273) 19.769 5.738 ( 4.885 0.695 -0.287) 4.943 6.139 ( 18.446 8.975 -15.214) 25.540 8.049 ( -14.003 9.121 -9.883) 19.415 8.090 ( 12.583 0.705 7.742) 14.790 8.731 ( -13.968 -2.079 3.139) 14.467 8.851 ( -2.945 -5.751 4.111) 7.658 9.394 ( -17.803 -4.165 -5.630) 19.131 9.548 ( 7.018 -10.734 4.823) 13.702 10.184 ( -7.191 1.597 20.469) 21.754 10.818 ( 7.480 -2.803 -17.481) 19.220 11.659 ( 8.430 6.896 12.936) 16.910 11.981 ( 4.812 4.390 -12.919) 14.468 13.375 ( -17.918 14.336 -4.761) 23.435 13.620 ( 14.725 -8.370 6.919) 18.296 14.039 ( -3.735 -13.422 10.464) 17.424 14.260 ( -11.016 -14.822 -9.670) 20.846 15.709 ( 3.660 2.597 10.409) 11.335 15.846 ( -4.681 6.916 -6.678) 10.693 16.854 ( -2.176 -1.386 11.088) 11.384 17.164 ( -1.503 -8.132 -7.755) 11.338 19.213 ( 6.317 5.834 4.297) 9.612 19.392 ( 3.046 6.200 -10.903) 12.907 20.063 ( -0.435 -0.776 4.354) 4.444 20.171 ( 1.237 -0.086 -3.003) 3.249 ======================= Grid point 365 (134/189) ======================= q-point: (-0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.526 ( -13.876 -6.130 7.673) 17.000 3.894 ( 2.554 -5.414 -5.912) 8.413 4.183 ( -18.967 -5.720 3.296) 20.083 4.429 ( -6.288 4.635 11.576) 13.965 4.855 ( 7.937 -5.202 1.209) 9.566 5.437 ( 20.385 -17.010 -14.669) 30.333 5.994 ( 6.417 21.360 10.422) 24.618 6.479 ( 20.249 12.633 -14.849) 28.109 7.722 ( -28.955 7.482 -6.897) 30.691 8.223 ( -3.003 5.162 1.011) 6.056 8.531 ( -6.760 -4.250 5.136) 9.494 8.823 ( 0.196 -2.679 6.203) 6.760 9.110 ( -5.878 -6.156 -0.669) 8.538 9.539 ( 2.537 -16.323 4.874) 17.223 10.213 ( -7.827 2.961 21.394) 22.972 10.823 ( 8.794 -4.310 -17.980) 20.474 11.947 ( 8.001 5.841 7.733) 12.567 12.010 ( 5.608 4.039 -11.833) 13.703 13.176 ( -16.323 10.089 -3.801) 19.562 13.689 ( 0.896 -10.539 4.250) 11.399 13.744 ( -12.572 0.168 -9.395) 15.696 14.240 ( 12.023 -13.115 14.628) 23.034 15.697 ( -8.698 0.103 -1.161) 8.775 15.904 ( 6.441 -1.597 8.565) 10.835 16.855 ( -2.328 -2.359 0.923) 3.440 17.073 ( 3.842 -5.152 -1.220) 6.541 19.302 ( -2.695 11.208 -8.719) 14.453 19.509 ( 8.425 2.502 1.758) 8.963 20.042 ( -3.510 0.771 0.007) 3.594 20.195 ( 3.473 -1.419 -0.732) 3.822 ======================= Grid point 373 (135/189) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.494 ( -0.000 -0.884 6.415) 6.476 4.202 ( 0.000 8.462 -6.771) 10.837 4.253 ( -0.000 13.856 14.676) 20.183 4.699 ( -0.000 8.253 19.327) 21.015 5.173 ( 0.000 -4.419 -18.881) 19.391 5.261 ( 0.000 10.642 -14.490) 17.978 6.023 ( 0.000 -26.490 -4.312) 26.838 6.459 ( 0.000 -18.312 -4.453) 18.845 6.669 ( -0.000 9.759 23.953) 25.865 8.308 ( -0.000 -19.117 13.256) 23.263 8.689 ( 0.000 10.170 -12.971) 16.482 8.892 ( -0.000 -1.057 3.484) 3.641 9.538 ( -0.000 -9.412 9.192) 13.156 10.430 ( -0.000 12.361 2.417) 12.595 10.805 ( -0.000 10.134 13.120) 16.578 10.857 ( 0.000 -9.689 -3.815) 10.413 11.047 ( 0.000 3.269 -18.576) 18.862 12.012 ( 0.000 -5.957 0.804) 6.011 12.287 ( 0.000 1.807 -2.748) 3.289 13.927 ( -0.000 15.835 5.428) 16.739 14.370 ( 0.000 -35.571 21.214) 41.416 15.170 ( -0.000 11.416 -0.154) 11.417 15.214 ( -0.000 17.405 -8.112) 19.202 16.298 ( 0.000 -9.851 -18.111) 20.617 17.347 ( 0.000 -5.290 -8.315) 9.855 17.441 ( -0.000 -6.961 16.757) 18.146 18.307 ( -0.000 1.763 5.727) 5.992 19.351 ( 0.000 6.303 -10.670) 12.393 19.987 ( -0.000 -3.048 3.895) 4.945 20.218 ( 0.000 0.218 -2.001) 2.013 ======================= Grid point 374 (136/189) ======================= q-point: ( 0.58 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.552 ( 4.100 -1.847 5.997) 7.495 4.197 ( -4.585 6.724 -4.740) 9.418 4.448 ( 1.400 7.860 8.608) 11.740 4.853 ( -4.368 4.751 19.168) 20.226 5.003 ( -2.680 -1.452 -14.650) 14.964 5.327 ( 5.252 10.130 -16.351) 19.939 5.736 ( -0.114 -21.100 -5.984) 21.932 6.165 ( -15.782 -12.721 2.296) 20.400 7.029 ( 15.300 6.867 19.698) 25.870 8.231 ( 3.825 -15.114 7.207) 17.176 8.745 ( 3.863 4.654 -7.797) 9.868 8.923 ( 4.590 -2.189 -0.196) 5.089 9.467 ( -4.467 -8.104 7.365) 11.827 10.461 ( -10.363 10.893 1.669) 15.128 10.610 ( -13.642 -7.053 -3.011) 15.650 10.806 ( 2.210 -4.145 -18.111) 18.710 11.211 ( 7.257 10.443 9.776) 16.040 11.869 ( -6.792 2.914 -2.617) 7.841 12.528 ( 21.412 -2.438 2.086) 21.651 14.011 ( -8.493 10.810 1.761) 13.860 14.180 ( -0.046 -28.746 19.560) 34.770 15.136 ( -8.550 2.511 -4.471) 9.970 15.394 ( 5.433 10.294 -1.521) 11.739 16.080 ( -4.503 0.436 -19.412) 19.932 17.245 ( -1.828 -5.843 -7.090) 9.368 17.348 ( -9.510 -5.464 9.859) 14.748 18.504 ( 12.977 1.590 9.858) 16.374 19.356 ( 0.150 7.115 -9.058) 11.519 19.991 ( 0.863 -2.933 4.439) 5.390 20.207 ( -0.395 0.330 -1.586) 1.668 ======================= Grid point 375 (137/189) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.655 ( 5.546 -3.079 6.884) 9.361 4.105 ( -7.485 2.088 -6.531) 10.151 4.554 ( 0.952 0.029 5.391) 5.475 4.851 ( -1.872 -7.080 -0.868) 7.374 4.893 ( -2.062 -1.073 -2.294) 3.266 5.361 ( -5.477 7.638 -11.093) 14.539 5.635 ( 3.118 -0.307 2.887) 4.260 5.827 ( -11.106 -3.330 3.549) 12.125 7.484 ( 19.766 1.803 14.504) 24.583 8.224 ( 3.606 -5.286 -0.080) 6.399 8.773 ( 2.659 -4.579 -1.584) 5.527 8.987 ( 6.215 -3.180 -4.737) 8.437 9.342 ( -5.198 -7.351 5.993) 10.815 10.175 ( -20.671 -1.620 -14.803) 25.476 10.451 ( -8.287 3.023 14.272) 16.778 10.685 ( 1.200 -3.813 -17.709) 18.154 11.479 ( 4.197 9.027 14.305) 17.428 11.845 ( 1.008 7.278 -8.257) 11.053 12.900 ( 24.095 -5.159 5.415) 25.229 13.900 ( -10.517 0.309 1.980) 10.706 14.053 ( -2.745 -15.527 12.212) 19.944 14.848 ( -16.450 -7.519 -11.248) 21.299 15.562 ( 4.925 5.467 3.588) 8.186 15.969 ( -2.450 9.941 -15.754) 18.789 17.069 ( -8.492 -8.636 6.877) 13.928 17.226 ( -3.416 -2.122 -5.347) 6.691 18.821 ( 14.563 1.664 10.647) 18.116 19.376 ( -0.188 8.206 -8.428) 11.765 20.015 ( 1.823 -2.595 4.849) 5.794 20.191 ( -1.075 0.919 -1.748) 2.248 ======================= Grid point 376 (138/189) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.734 ( 3.254 -5.415 6.109) 8.788 3.922 ( -8.165 -2.497 -7.162) 11.144 4.524 ( -1.592 -11.370 7.369) 13.642 4.717 ( -1.903 -5.518 -13.848) 15.028 4.867 ( 6.208 -7.068 -3.118) 9.910 5.122 ( -22.321 5.181 6.741) 23.886 5.837 ( 6.420 15.148 8.756) 18.637 5.889 ( 9.199 12.340 -4.952) 16.169 7.863 ( 17.954 -4.652 9.706) 20.933 8.220 ( -2.479 4.446 -5.552) 7.532 8.740 ( 2.909 -10.542 1.432) 11.030 8.926 ( -7.464 -2.709 -3.309) 8.602 9.293 ( 6.579 -11.436 2.996) 13.529 9.709 ( -22.441 -1.978 -10.572) 24.886 10.468 ( -6.525 4.688 17.114) 18.906 10.569 ( 3.282 -3.715 -17.714) 18.394 11.709 ( 3.775 6.736 15.319) 17.155 11.900 ( 3.035 8.241 -11.870) 14.766 13.270 ( 21.853 -7.358 6.293) 23.901 13.720 ( -13.543 3.711 -2.330) 14.234 13.945 ( 1.357 -16.858 10.896) 20.119 14.383 ( -20.450 -4.113 -14.632) 25.480 15.707 ( 4.819 0.445 7.317) 8.773 15.929 ( -3.696 7.487 -12.095) 14.697 16.939 ( -3.025 -7.700 9.524) 12.615 17.099 ( -4.882 -1.331 -8.354) 9.767 19.133 ( 12.551 2.235 10.175) 16.311 19.397 ( -1.190 9.189 -8.609) 12.647 20.060 ( 2.662 -2.195 4.768) 5.886 20.165 ( -2.017 1.564 -2.582) 3.630 ======================= Grid point 377 (139/189) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.728 ( 0.532 -7.619 -8.623) 11.519 3.728 ( -6.864 -3.349 8.623) 11.519 4.464 ( -12.363 -3.797 -6.253) 14.365 4.464 ( 2.893 -12.605 6.253) 14.365 4.925 ( 13.818 -9.466 -9.271) 19.144 4.925 ( -15.107 7.234 9.271) 19.144 6.198 ( 18.407 15.251 -13.198) 27.306 6.198 ( 4.004 23.567 13.198) 27.306 8.119 ( -13.397 8.625 -6.579) 17.238 8.119 ( 14.168 -7.290 6.579) 17.238 8.705 ( -7.140 -5.288 -3.629) 9.597 8.705 ( -1.010 -8.827 3.629) 9.597 9.304 ( -14.134 -3.820 -1.969) 14.773 9.304 ( 3.759 -14.150 1.969) 14.773 10.516 ( 8.520 -4.118 -20.671) 22.734 10.516 ( -7.826 5.319 20.671) 22.734 11.934 ( 0.658 7.777 -12.881) 15.061 11.934 ( 6.406 4.458 12.881) 15.061 13.490 ( -14.065 2.530 -3.250) 14.656 13.490 ( 9.223 -10.916 3.250) 14.656 13.981 ( -16.297 4.388 -11.571) 20.463 13.981 ( 11.949 -11.920 11.571) 20.463 15.817 ( -6.305 1.212 -9.209) 11.226 15.817 ( 4.202 -4.854 9.209) 11.226 16.940 ( -3.761 -1.551 -10.985) 11.714 16.940 ( 0.538 -4.033 10.985) 11.714 19.404 ( -1.141 9.285 -9.897) 13.618 19.404 ( 8.611 3.654 9.897) 13.618 20.116 ( -1.119 0.332 -5.439) 5.562 20.116 ( 0.847 -0.803 5.439) 5.562 ======================= Grid point 387 (140/189) ======================= q-point: ( 0.58 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.545 ( -0.000 -0.752 7.113) 7.152 4.219 ( 0.000 1.325 -8.582) 8.684 4.518 ( -0.000 0.512 0.168) 0.539 4.931 ( 0.000 -0.585 -5.401) 5.432 4.988 ( 0.000 -9.384 4.083) 10.234 5.315 ( 0.000 14.472 -14.221) 20.290 5.597 ( -0.000 -1.123 5.960) 6.065 6.273 ( -0.000 -4.994 8.828) 10.143 7.053 ( -0.000 3.372 16.426) 16.768 8.028 ( 0.000 -24.293 9.305) 26.015 8.743 ( 0.000 10.576 -11.965) 15.970 8.843 ( 0.000 -5.394 -1.670) 5.647 9.471 ( -0.000 -7.431 6.160) 9.652 10.551 ( 0.000 -7.817 -26.674) 27.796 10.639 ( 0.000 -8.361 -4.105) 9.315 10.690 ( -0.000 12.257 2.449) 12.499 11.350 ( -0.000 14.802 11.354) 18.655 11.962 ( -0.000 -3.276 3.689) 4.933 12.323 ( -0.000 3.872 -0.379) 3.890 14.009 ( -0.000 -28.535 19.844) 34.757 14.184 ( -0.000 6.584 -1.705) 6.801 15.223 ( 0.000 -3.439 -3.165) 4.674 15.384 ( 0.000 8.966 -5.831) 10.695 16.016 ( 0.000 5.447 -19.015) 19.779 17.156 ( 0.000 1.073 -13.742) 13.784 17.442 ( -0.000 -10.205 10.540) 14.671 18.474 ( -0.000 1.847 13.998) 14.120 19.380 ( 0.000 7.594 -5.905) 9.620 19.982 ( -0.000 -2.948 4.565) 5.434 20.210 ( 0.000 0.902 -0.705) 1.145 ======================= Grid point 388 (141/189) ======================= q-point: (-0.33 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.609 ( 2.626 -2.292 8.451) 9.142 4.140 ( -2.655 -0.532 -10.658) 10.997 4.468 ( 2.015 -6.294 -8.029) 10.399 4.738 ( -4.752 -24.829 -2.747) 25.429 4.942 ( -1.707 6.930 -4.174) 8.268 5.414 ( 3.851 16.551 -12.468) 21.077 5.757 ( -1.633 14.402 18.369) 23.398 6.150 ( -17.698 0.632 13.075) 22.012 7.278 ( 13.552 -3.399 12.844) 18.978 7.956 ( 12.132 -20.589 5.684) 24.564 8.738 ( -1.513 1.739 -7.717) 8.054 8.817 ( 4.691 -1.611 -7.271) 8.802 9.401 ( -4.359 -6.339 4.363) 8.845 10.262 ( -7.217 -7.088 -22.982) 25.110 10.478 ( -3.037 -6.806 -10.331) 12.739 10.780 ( -6.266 10.426 8.026) 14.573 11.586 ( 4.451 12.981 6.996) 15.403 11.905 ( -4.406 1.130 3.108) 5.509 12.535 ( 17.656 -0.138 3.091) 17.925 13.868 ( -0.456 -23.456 17.327) 29.165 14.140 ( -5.718 -0.521 -5.538) 7.977 14.999 ( -14.763 -3.443 -9.569) 17.927 15.508 ( 7.460 3.325 -1.576) 8.318 15.978 ( -0.089 9.774 -17.197) 19.781 17.076 ( -2.581 1.146 -11.101) 11.455 17.320 ( -7.742 -8.371 7.359) 13.571 18.688 ( 11.154 1.446 14.741) 18.542 19.424 ( -0.373 8.338 -4.102) 9.300 19.992 ( 1.104 -2.864 4.514) 5.459 20.213 ( -0.724 1.733 -0.394) 1.919 ======================= Grid point 389 (142/189) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.646 ( 2.172 -8.921 3.025) 9.667 3.998 ( -6.689 -0.698 -5.034) 8.400 4.401 ( -0.236 -22.189 -8.613) 23.804 4.419 ( 4.859 -7.856 -7.677) 12.011 4.935 ( -5.008 6.042 -2.420) 8.212 5.579 ( -3.677 19.984 -4.233) 20.756 5.807 ( -10.677 2.536 9.455) 14.485 6.151 ( -2.056 20.666 18.597) 27.878 7.527 ( 18.230 -15.149 9.229) 25.436 8.077 ( 14.522 -8.975 2.307) 17.227 8.649 ( -1.661 -4.637 -6.408) 8.082 8.844 ( 4.991 -1.084 -8.465) 9.886 9.264 ( -7.217 -6.046 2.590) 9.764 9.903 ( -13.668 -6.067 -14.149) 20.587 10.319 ( 2.133 -5.930 -18.310) 19.364 10.803 ( -9.305 8.143 14.614) 19.143 11.814 ( 5.126 11.634 1.501) 12.802 11.905 ( -2.022 4.431 4.925) 6.926 12.875 ( 21.436 -4.145 4.800) 22.355 13.765 ( 0.550 -17.471 13.484) 22.077 13.940 ( -9.005 -5.494 -7.199) 12.771 14.618 ( -19.147 0.655 -13.864) 23.649 15.637 ( 6.513 -1.747 1.827) 6.987 15.963 ( -1.289 8.583 -14.772) 17.133 16.950 ( -4.927 -3.340 -2.891) 6.618 17.178 ( -6.308 -2.337 1.533) 6.900 19.002 ( 13.235 1.883 12.928) 18.597 19.471 ( -1.275 8.879 -3.309) 9.561 20.017 ( 2.102 -2.816 3.406) 4.894 20.211 ( -1.780 2.470 -0.321) 3.062 ======================= Grid point 400 (143/189) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.602 ( -0.000 -7.493 7.483) 10.590 4.095 ( 0.000 3.657 -10.971) 11.564 4.318 ( 0.000 -9.480 -9.239) 13.237 4.501 ( 0.000 -26.135 -7.057) 27.071 5.012 ( -0.000 9.519 -3.971) 10.314 5.461 ( 0.000 16.389 -10.929) 19.698 6.086 ( -0.000 19.770 24.882) 31.780 6.453 ( -0.000 6.281 15.925) 17.119 7.147 ( -0.000 -15.417 10.045) 18.401 7.651 ( 0.000 -18.474 3.554) 18.813 8.658 ( 0.000 -7.769 -6.671) 10.240 8.773 ( 0.000 6.546 -10.383) 12.274 9.405 ( -0.000 -5.743 3.561) 6.758 10.081 ( 0.000 -5.252 -26.475) 26.991 10.383 ( 0.000 -9.648 -10.359) 14.156 11.009 ( -0.000 12.111 11.367) 16.610 11.646 ( 0.000 6.752 -4.483) 8.105 12.011 ( -0.000 0.646 14.083) 14.098 12.420 ( -0.000 4.995 1.859) 5.330 13.764 ( -0.000 -19.787 15.935) 25.406 14.098 ( 0.000 -8.238 -8.101) 11.553 15.067 ( 0.000 -3.061 -9.510) 9.991 15.418 ( 0.000 2.466 -5.617) 6.134 15.968 ( 0.000 10.330 -16.468) 19.440 17.067 ( 0.000 6.283 -12.327) 13.836 17.337 ( 0.000 -10.133 5.858) 11.704 18.706 ( -0.000 1.424 18.124) 18.180 19.492 ( -0.000 8.451 -1.578) 8.597 19.983 ( -0.000 -2.950 4.385) 5.285 20.239 ( -0.000 2.466 0.031) 2.466 ======================= Grid point 401 (144/189) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.512 ( 0.321 -16.356 -2.005) 16.481 4.071 ( -5.075 -1.454 -2.346) 5.777 4.169 ( -0.724 -14.734 -8.114) 16.836 4.226 ( 3.130 -8.471 -7.762) 11.908 5.063 ( -3.032 10.786 -4.339) 12.015 5.607 ( 6.130 17.075 -9.631) 20.540 6.296 ( -18.304 8.051 21.858) 29.625 6.534 ( -6.250 19.279 18.260) 27.279 7.082 ( 13.943 -30.425 7.169) 34.227 7.729 ( 17.135 -5.805 3.014) 18.341 8.543 ( 0.771 -7.806 -8.703) 11.716 8.768 ( 0.770 4.204 -9.249) 10.189 9.333 ( -4.689 -4.979 2.450) 7.265 9.868 ( -2.765 -4.005 -21.231) 21.782 10.165 ( -3.813 -10.511 -14.046) 17.953 11.118 ( -8.419 8.247 13.754) 18.112 11.728 ( 10.070 2.982 -7.173) 12.718 12.097 ( -4.288 7.216 14.019) 16.340 12.596 ( 12.527 1.894 3.490) 13.142 13.686 ( -0.603 -13.945 12.160) 18.512 13.916 ( -3.142 -11.509 -7.445) 14.063 14.822 ( -14.757 -1.082 -14.676) 20.841 15.486 ( 7.850 -1.571 -4.014) 8.956 15.969 ( -0.218 9.452 -14.303) 17.145 17.016 ( -5.239 4.388 -7.753) 10.335 17.243 ( -3.920 -5.517 3.470) 7.606 18.919 ( 9.115 1.743 17.357) 19.682 19.561 ( -0.784 8.365 -0.510) 8.418 19.986 ( 0.785 -3.073 3.416) 4.662 20.259 ( -0.834 2.934 -0.049) 3.051 ======================= Grid point 413 (145/189) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.293 ( 0.000 -21.935 -7.634) 23.226 3.876 ( 0.000 -28.380 -9.616) 29.965 4.068 ( 0.000 -5.022 -5.724) 7.615 4.244 ( -0.000 14.138 3.116) 14.477 5.180 ( -0.000 13.956 -5.719) 15.082 5.650 ( -0.000 14.463 -7.965) 16.511 6.599 ( 0.000 -43.726 2.810) 43.816 6.704 ( -0.000 6.487 25.044) 25.870 6.939 ( -0.000 24.054 19.398) 30.902 7.533 ( 0.000 -1.130 0.313) 1.172 8.404 ( 0.000 -7.039 -10.555) 12.686 8.739 ( 0.000 2.378 -8.076) 8.419 9.345 ( -0.000 -4.428 2.850) 5.266 9.730 ( 0.000 -0.356 -20.871) 20.874 9.997 ( 0.000 -14.492 -14.512) 20.509 11.407 ( -0.000 8.107 19.097) 20.746 11.506 ( 0.000 -8.169 -10.743) 13.496 12.312 ( -0.000 10.796 11.492) 15.767 12.539 ( -0.000 3.204 3.079) 4.444 13.674 ( -0.000 -4.876 10.448) 11.530 13.754 ( 0.000 -15.969 -6.889) 17.391 14.831 ( 0.000 -5.251 -17.905) 18.659 15.368 ( 0.000 0.518 -5.860) 5.883 15.979 ( 0.000 9.420 -12.517) 15.666 17.069 ( 0.000 6.397 -8.126) 10.342 17.248 ( -0.000 -3.759 3.022) 4.823 18.973 ( -0.000 1.622 19.977) 20.043 19.647 ( -0.000 7.811 0.582) 7.832 19.970 ( -0.000 -3.334 3.114) 4.562 20.293 ( -0.000 3.089 -0.657) 3.158 ======================= Grid point 480 (146/189) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -0.000 0.000 34.356) 34.356 1.963 ( -0.000 0.000 34.356) 34.356 3.872 ( -0.000 0.000 59.748) 59.748 4.497 ( -0.000 0.000 0.140) 0.140 5.338 ( 0.000 0.000 -25.334) 25.334 5.338 ( 0.000 -0.000 -25.334) 25.334 5.876 ( 0.000 -0.000 -7.645) 7.645 7.643 ( -0.000 0.000 14.429) 14.429 7.643 ( -0.000 -0.000 14.429) 14.429 8.432 ( -0.000 0.000 3.080) 3.080 8.432 ( -0.000 -0.000 3.080) 3.080 9.187 ( 0.000 -0.000 -22.429) 22.429 9.405 ( -0.000 0.000 8.983) 8.983 9.405 ( -0.000 0.000 8.983) 8.983 10.288 ( -0.000 0.000 10.443) 10.443 10.288 ( -0.000 -0.000 10.443) 10.443 12.256 ( 0.000 0.000 -1.020) 1.020 12.256 ( 0.000 -0.000 -1.020) 1.020 12.920 ( -0.000 0.000 0.255) 0.255 13.533 ( 0.000 -0.000 -4.606) 4.606 13.553 ( 0.000 0.000 -5.978) 5.978 13.553 ( 0.000 -0.000 -5.978) 5.978 16.627 ( -0.000 0.000 9.006) 9.006 16.743 ( -0.000 0.000 19.993) 19.993 16.743 ( -0.000 0.000 19.993) 19.993 17.635 ( 0.000 -0.000 -7.339) 7.339 19.273 ( 0.000 -0.000 -14.237) 14.237 19.273 ( 0.000 -0.000 -14.237) 14.237 19.955 ( -0.000 0.000 2.238) 2.238 20.073 ( 0.000 -0.000 -0.043) 0.043 ======================= Grid point 481 (147/189) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 3.990 2.304 30.246) 30.595 2.512 ( 19.626 11.331 31.911) 39.139 4.339 ( 11.028 6.367 48.738) 50.374 4.450 ( -4.436 -2.561 0.820) 5.187 4.949 ( -8.030 -4.636 -23.313) 25.089 5.384 ( 5.255 3.034 -21.029) 21.887 5.911 ( 7.385 4.264 -7.214) 11.170 7.258 ( -22.668 -13.088 12.528) 29.019 8.144 ( 17.338 10.010 14.042) 24.454 8.200 ( -12.797 -7.388 -4.881) 15.561 8.545 ( 0.064 0.037 5.624) 5.625 9.030 ( -0.070 -0.040 -20.888) 20.888 9.428 ( -0.987 -0.570 18.723) 18.757 9.625 ( 9.200 5.312 4.487) 11.532 10.065 ( -12.441 -7.183 10.454) 17.767 10.567 ( 6.220 3.591 9.771) 12.127 12.059 ( -13.053 -7.536 3.777) 15.539 12.206 ( -2.220 -1.282 -4.446) 5.132 12.967 ( 9.389 5.421 4.748) 11.836 13.095 ( -15.986 -9.230 -10.961) 21.468 13.661 ( 7.107 4.103 -2.565) 8.598 14.138 ( 30.729 17.742 -11.972) 37.448 16.267 ( -24.269 -14.012 15.915) 32.227 16.738 ( -7.300 -4.214 19.820) 21.538 17.227 ( 14.277 8.243 17.817) 24.274 17.488 ( -9.010 -5.202 -8.964) 13.733 19.133 ( -0.318 -0.184 -16.355) 16.359 19.171 ( -1.931 -1.115 -13.500) 13.683 20.050 ( 5.305 3.063 0.427) 6.140 20.070 ( -0.154 -0.089 0.253) 0.309 ======================= Grid point 482 (148/189) ======================= q-point: ( 0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 10.563 6.098 23.030) 26.060 3.112 ( 15.842 9.146 30.121) 35.241 4.340 ( -4.512 -2.605 0.889) 5.286 4.700 ( -4.010 -2.315 -16.858) 17.483 4.870 ( 13.990 8.077 15.725) 22.544 5.404 ( 7.163 4.135 -4.084) 9.224 6.103 ( 12.553 7.247 -2.507) 14.710 6.800 ( -24.333 -14.049 10.558) 30.015 7.853 ( -13.252 -7.651 -9.559) 18.043 8.442 ( -5.340 -3.083 -6.572) 9.012 8.571 ( 9.769 5.640 8.832) 14.327 9.013 ( 5.980 3.453 -2.507) 7.347 9.538 ( -2.092 -1.208 23.291) 23.415 9.783 ( -3.251 -1.877 6.521) 7.525 9.894 ( -2.874 -1.659 4.706) 5.759 10.720 ( 2.120 1.224 13.892) 14.106 11.930 ( 0.365 0.211 0.925) 1.016 12.028 ( -10.126 -5.847 -12.157) 16.868 12.766 ( -6.188 -3.572 -12.560) 14.450 13.276 ( 13.561 7.830 5.625) 16.639 13.850 ( 10.275 5.932 3.050) 12.251 14.630 ( 19.872 11.473 -9.978) 25.022 15.816 ( -25.533 -14.741 19.470) 35.331 16.670 ( -9.202 -5.313 18.309) 21.169 17.121 ( -17.591 -10.156 -13.179) 24.213 17.558 ( 5.753 3.321 17.366) 18.593 19.062 ( 3.064 1.769 -16.681) 17.052 19.090 ( 2.842 1.641 -14.137) 14.513 20.074 ( 0.227 0.131 1.028) 1.061 20.143 ( 2.829 1.633 -0.352) 3.285 ======================= Grid point 483 (149/189) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( 13.324 7.693 16.108) 22.275 3.576 ( 9.970 5.756 28.026) 30.298 4.318 ( 1.274 0.735 5.463) 5.657 4.520 ( -4.519 -2.609 -12.467) 13.515 5.020 ( 2.206 1.274 -11.422) 11.703 5.680 ( 12.779 7.378 -2.008) 14.892 6.167 ( -18.657 -10.772 3.179) 21.776 6.622 ( 13.769 7.950 12.684) 20.339 7.549 ( -7.317 -4.224 -8.211) 11.782 8.194 ( -8.700 -5.023 -14.307) 17.481 8.726 ( 0.174 0.100 1.573) 1.586 9.203 ( 5.199 3.002 7.062) 9.269 9.591 ( -6.475 -3.738 24.052) 25.187 9.645 ( -8.010 -4.625 14.705) 17.372 9.926 ( 0.717 0.414 -2.640) 2.767 10.875 ( 4.015 2.318 15.754) 16.422 11.654 ( -13.169 -7.603 -17.491) 23.177 12.036 ( 8.454 4.881 -3.879) 10.505 12.628 ( -0.529 -0.305 -13.287) 13.301 13.589 ( 10.688 6.171 5.993) 13.720 14.151 ( 12.608 7.279 9.141) 17.191 14.929 ( 11.887 6.863 -3.852) 14.256 15.404 ( -22.575 -13.034 21.969) 34.090 16.564 ( -21.422 -12.368 -6.209) 25.503 16.580 ( -9.421 -5.439 3.513) 11.431 17.703 ( -1.208 -0.697 13.858) 13.928 19.054 ( 5.166 2.983 -16.167) 17.232 19.120 ( 7.006 4.045 -12.835) 15.172 20.092 ( 0.549 0.317 1.839) 1.945 20.173 ( 0.256 0.148 -0.556) 0.630 ======================= Grid point 484 (150/189) ======================= q-point: ( 0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.254 ( 14.380 8.302 10.528) 19.661 3.913 ( 6.206 3.583 23.403) 24.475 4.289 ( -10.023 -5.787 -0.550) 11.586 4.507 ( 10.256 5.922 2.332) 12.071 4.955 ( -1.400 -0.808 -9.139) 9.281 5.502 ( -26.961 -15.566 5.033) 31.536 6.052 ( 13.661 7.887 -16.951) 23.155 6.936 ( 5.606 3.237 -11.938) 13.580 7.620 ( 15.102 8.719 15.672) 23.446 7.915 ( -7.899 -4.560 -15.088) 17.631 8.601 ( -11.706 -6.758 -0.643) 13.532 9.134 ( -11.169 -6.449 0.157) 12.898 9.565 ( -8.704 -5.025 24.305) 26.301 9.730 ( 0.435 0.251 17.437) 17.444 9.905 ( 1.637 0.945 -0.827) 2.063 11.089 ( 6.471 3.736 14.214) 16.059 11.308 ( -6.777 -3.913 -17.709) 19.361 12.196 ( 7.904 4.563 -7.452) 11.783 12.547 ( 0.414 0.239 -12.878) 12.887 13.809 ( 5.237 3.023 8.207) 10.194 14.454 ( 6.592 3.806 11.835) 14.071 15.068 ( -11.078 -6.396 12.917) 18.179 15.188 ( 3.896 2.250 10.978) 11.864 15.930 ( -21.574 -12.456 -22.190) 33.362 16.539 ( -2.718 -1.569 13.329) 13.693 17.689 ( -6.075 -3.507 8.942) 11.365 19.077 ( 5.522 3.188 -16.134) 17.348 19.224 ( 8.229 4.751 -9.398) 13.365 20.121 ( 0.939 0.542 2.324) 2.565 20.155 ( -1.312 -0.758 -0.901) 1.763 ======================= Grid point 485 (151/189) ======================= q-point: ( 0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.626 ( 14.518 8.382 5.674) 17.699 4.014 ( -13.947 -8.052 -0.747) 16.122 4.131 ( 1.594 0.920 16.193) 16.297 4.831 ( 14.751 8.517 9.494) 19.500 4.874 ( -4.606 -2.659 -1.016) 5.415 4.914 ( -24.162 -13.950 4.007) 28.187 6.285 ( 17.773 10.261 -22.184) 30.221 6.870 ( 1.693 0.977 -22.018) 22.105 7.663 ( -6.824 -3.940 -14.118) 16.168 8.158 ( 18.662 10.775 17.689) 27.880 8.208 ( -22.597 -13.046 -1.330) 26.127 8.837 ( -14.286 -8.248 0.518) 16.505 9.538 ( -6.818 -3.936 25.262) 26.460 9.662 ( -6.734 -3.888 -3.061) 8.357 10.059 ( 2.525 1.458 16.739) 16.991 11.178 ( 4.907 2.833 -16.549) 17.492 11.319 ( 6.492 3.748 11.973) 14.126 12.264 ( 2.942 1.698 -9.333) 9.932 12.492 ( 1.298 0.750 -10.093) 10.204 13.933 ( 0.710 0.410 10.298) 10.331 14.461 ( -12.073 -6.970 1.972) 14.079 14.893 ( -10.725 -6.192 17.149) 21.153 15.427 ( 9.727 5.616 8.833) 14.289 15.453 ( -8.735 -5.043 -13.493) 16.846 16.639 ( 4.694 2.710 11.426) 12.646 17.562 ( -8.693 -5.019 4.673) 11.072 19.086 ( 4.316 2.492 -17.033) 17.747 19.358 ( 7.901 4.562 -5.775) 10.797 20.109 ( -2.097 -1.210 -1.456) 2.825 20.165 ( 1.720 0.993 2.290) 3.031 ======================= Grid point 486 (152/189) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.670 ( -17.251 -9.960 2.338) 20.056 3.962 ( 13.717 7.919 0.979) 15.869 4.155 ( -5.635 -3.253 8.369) 10.601 4.366 ( -24.783 -14.309 7.229) 29.516 4.937 ( 6.286 3.629 3.957) 8.266 5.249 ( 16.367 9.450 11.294) 22.017 6.565 ( 20.325 11.735 -25.266) 34.484 6.792 ( 3.806 2.198 -21.040) 21.494 7.348 ( -20.453 -11.809 -11.248) 26.159 7.693 ( -16.476 -9.513 -0.788) 19.041 8.557 ( -11.495 -6.637 4.421) 13.990 8.566 ( 9.351 5.399 11.368) 15.679 9.482 ( -6.283 -3.627 -5.004) 8.813 9.598 ( -1.833 -1.059 25.115) 25.204 10.121 ( -6.464 -3.732 16.443) 18.057 11.285 ( 12.259 7.078 -17.209) 22.283 11.495 ( 1.937 1.118 11.079) 11.303 12.249 ( 2.642 1.526 -10.149) 10.598 12.489 ( 3.031 1.750 -5.860) 6.826 13.938 ( -6.371 -3.678 8.629) 11.339 14.036 ( -18.593 -10.735 -11.778) 24.488 14.820 ( -5.484 -3.166 17.233) 18.359 15.342 ( -0.780 -0.450 1.628) 1.860 15.707 ( 9.608 5.547 10.962) 15.596 16.857 ( 7.900 4.561 9.802) 13.390 17.386 ( -8.009 -4.624 0.890) 9.291 19.052 ( 2.493 1.439 -18.562) 18.784 19.500 ( 7.306 4.218 -2.758) 8.876 20.046 ( -2.502 -1.445 -2.198) 3.630 20.225 ( 2.558 1.477 1.684) 3.400 ======================= Grid point 493 (153/189) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( -0.000 13.096 28.637) 31.489 2.655 ( -0.000 18.425 32.454) 37.320 4.475 ( -0.000 -3.065 2.500) 3.955 4.568 ( -0.000 0.856 28.609) 28.621 4.766 ( 0.000 -8.883 -11.908) 14.857 5.305 ( 0.000 14.696 -25.860) 29.744 5.864 ( -0.000 3.272 2.862) 4.347 7.353 ( 0.000 -24.883 12.101) 27.670 8.125 ( 0.000 -20.995 -6.248) 21.905 8.200 ( -0.000 16.223 13.823) 21.313 8.639 ( -0.000 5.775 8.147) 9.986 8.847 ( 0.000 -3.243 -24.150) 24.367 9.628 ( -0.000 7.699 6.744) 10.235 9.633 ( -0.000 9.930 17.665) 20.265 10.097 ( -0.000 -16.204 10.425) 19.268 10.665 ( -0.000 14.419 2.875) 14.703 11.956 ( 0.000 -23.816 0.839) 23.831 12.356 ( -0.000 4.556 3.657) 5.842 12.619 ( 0.000 -17.746 1.059) 17.777 13.312 ( 0.000 -5.928 -6.969) 9.149 13.807 ( -0.000 34.680 -14.213) 37.479 13.939 ( -0.000 25.626 -5.897) 26.296 16.260 ( 0.000 -35.170 16.488) 38.843 17.086 ( -0.000 0.807 23.204) 23.218 17.220 ( -0.000 12.422 16.286) 20.482 17.454 ( 0.000 -7.724 -7.688) 10.898 18.873 ( 0.000 -14.893 -16.387) 22.143 19.199 ( 0.000 7.233 -15.374) 16.991 20.061 ( -0.000 6.712 -0.059) 6.712 20.067 ( 0.000 -0.714 0.262) 0.761 ======================= Grid point 494 (154/189) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( -3.098 17.044 24.452) 29.966 3.175 ( 12.693 16.232 29.837) 36.261 4.368 ( -3.910 -5.638 -8.147) 10.651 4.528 ( 3.960 -7.598 -7.754) 11.555 4.918 ( 2.747 8.024 11.907) 14.618 5.316 ( 4.791 10.820 -17.126) 20.816 6.026 ( 7.695 6.172 14.459) 17.504 7.042 ( -15.502 -22.215 10.744) 29.142 7.791 ( -6.132 -23.367 -9.665) 26.020 8.437 ( -1.318 1.874 -3.772) 4.413 8.624 ( 0.495 8.806 2.577) 9.189 8.868 ( 10.373 0.696 -0.537) 10.411 9.726 ( -2.491 5.805 12.953) 14.411 9.864 ( -0.634 8.653 11.241) 14.200 9.977 ( -3.645 -8.522 9.822) 13.505 10.803 ( 0.427 9.226 2.727) 9.630 11.768 ( 5.178 -20.557 0.593) 21.208 12.137 ( -16.395 -5.707 -6.221) 18.440 12.730 ( 10.624 -3.272 2.335) 11.359 13.180 ( -1.962 4.440 -5.495) 7.332 13.969 ( -1.984 27.172 -2.576) 27.365 14.397 ( 18.844 23.340 -11.454) 32.110 15.947 ( -8.170 -35.307 18.855) 40.852 17.003 ( -14.731 -1.750 13.508) 20.063 17.211 ( -13.646 -7.879 -4.050) 16.270 17.572 ( 9.001 2.325 18.152) 20.394 18.706 ( 8.844 -12.491 -15.903) 22.072 19.150 ( -2.805 9.458 -15.808) 18.633 20.065 ( 0.516 -0.951 0.963) 1.448 20.135 ( 1.626 4.716 -1.132) 5.116 ======================= Grid point 495 (155/189) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( 1.281 16.637 18.840) 25.167 3.662 ( 8.845 9.042 27.767) 30.513 4.270 ( 4.413 -1.312 -10.826) 11.764 4.480 ( -1.528 -4.223 2.563) 5.171 4.979 ( -1.261 6.511 -12.409) 14.070 5.481 ( 12.668 6.985 -12.623) 19.199 6.328 ( -0.799 -1.561 15.718) 15.816 6.665 ( -7.714 -8.978 14.726) 18.893 7.423 ( -1.622 -22.705 -8.421) 24.270 8.224 ( -9.095 0.329 -18.039) 20.205 8.798 ( -0.241 6.993 6.402) 9.484 9.110 ( 13.123 0.666 6.462) 14.643 9.753 ( -6.776 -9.342 14.805) 18.772 9.801 ( -4.903 -0.195 9.510) 10.701 10.053 ( -5.882 11.393 7.935) 15.078 10.911 ( 3.053 2.828 6.930) 8.084 11.694 ( -8.353 -14.259 -11.120) 19.919 11.790 ( 5.637 -5.634 -7.442) 10.904 12.785 ( -9.020 14.873 -2.205) 17.534 13.333 ( 18.088 -3.355 0.385) 18.401 14.241 ( 3.271 23.676 5.264) 24.474 14.791 ( 13.109 15.869 -7.607) 21.944 15.587 ( -10.292 -31.546 21.267) 39.412 16.654 ( -17.824 -14.726 -16.773) 28.564 16.923 ( -19.433 1.366 18.025) 26.541 17.748 ( 2.716 -5.605 12.914) 14.337 18.733 ( 13.633 -5.085 -11.371) 18.467 19.116 ( -0.829 10.771 -15.670) 19.033 20.078 ( 1.191 -1.336 1.875) 2.592 20.177 ( 0.358 2.360 -1.597) 2.872 ======================= Grid point 496 (156/189) ======================= q-point: ( 0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.275 ( 4.942 14.670 13.288) 20.401 3.980 ( 5.568 0.274 21.191) 21.912 4.305 ( 2.538 -0.060 -8.089) 8.478 4.480 ( 1.470 3.400 12.316) 12.861 4.921 ( -1.307 3.464 -12.585) 13.119 5.622 ( 5.521 -1.312 -14.601) 15.665 5.969 ( -17.537 -11.881 2.075) 21.284 6.764 ( 2.862 -9.353 -7.818) 12.522 7.436 ( 19.590 -3.018 17.961) 26.749 7.974 ( -9.570 4.271 -18.208) 21.009 8.802 ( -9.959 4.672 2.985) 11.398 9.218 ( -3.840 -3.967 -0.787) 5.577 9.706 ( 1.314 -9.530 18.250) 20.630 9.794 ( -1.968 -2.104 10.958) 11.331 10.035 ( -10.527 6.922 8.030) 14.941 11.058 ( 6.947 0.177 5.269) 8.721 11.315 ( -10.444 -5.027 -11.979) 16.669 11.904 ( 14.740 -5.075 -9.378) 18.192 12.745 ( -12.964 20.531 -5.337) 24.861 13.619 ( 18.603 -6.574 4.748) 20.293 14.539 ( 2.129 13.926 10.164) 17.372 15.047 ( 7.151 4.957 -1.303) 8.798 15.316 ( -6.088 -18.081 21.507) 28.749 16.038 ( -22.023 -12.799 -23.561) 34.698 16.771 ( -13.447 1.527 16.877) 21.633 17.739 ( -1.134 -9.626 5.628) 11.208 18.869 ( 10.488 1.158 -7.815) 13.131 19.141 ( 3.177 9.241 -13.276) 16.484 20.098 ( 1.388 -1.829 2.357) 3.291 20.177 ( -0.891 1.230 -1.896) 2.430 ======================= Grid point 497 (157/189) ======================= q-point: ( 0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.573 ( 7.502 12.010 6.910) 15.756 4.060 ( -1.901 -9.440 3.115) 10.121 4.279 ( -4.793 2.263 13.601) 14.598 4.753 ( 12.198 9.411 9.784) 18.251 4.867 ( -0.301 1.427 -4.756) 4.974 5.226 ( -25.264 -17.742 2.986) 31.016 5.949 ( 14.721 5.675 -19.795) 25.313 6.582 ( 5.072 -17.241 -17.845) 25.327 7.736 ( -8.551 7.200 -14.635) 18.416 7.970 ( 18.910 2.038 15.954) 24.825 8.591 ( -20.956 5.389 1.663) 21.702 8.997 ( -12.825 -5.491 -1.824) 14.070 9.671 ( -4.921 -6.125 0.756) 7.893 9.782 ( -5.501 -7.192 19.663) 21.648 10.099 ( 3.565 0.985 17.152) 17.546 11.026 ( 1.034 -3.382 -15.392) 15.793 11.322 ( 6.076 5.807 8.720) 12.111 12.019 ( 11.583 -4.166 -11.163) 16.617 12.685 ( -12.992 19.656 -6.529) 24.450 13.861 ( 12.459 -6.015 8.277) 16.122 14.584 ( -9.191 -7.802 6.748) 13.816 14.985 ( -6.635 -16.924 5.686) 19.047 15.415 ( 6.623 6.211 12.112) 15.137 15.546 ( -11.056 3.445 -14.784) 18.779 16.735 ( -4.262 2.432 14.359) 15.174 17.614 ( -3.934 -10.924 0.657) 11.629 18.967 ( 3.667 6.072 -11.245) 13.295 19.241 ( 7.536 5.450 -6.687) 11.455 20.103 ( -0.356 -1.956 0.403) 2.029 20.168 ( 0.364 1.008 -0.500) 1.183 ======================= Grid point 498 (158/189) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.763 ( -1.854 0.148 -7.438) 7.667 3.928 ( -0.689 -1.015 11.551) 11.616 4.280 ( -6.208 -2.738 11.175) 13.074 4.660 ( -23.358 -16.704 4.954) 29.140 4.890 ( 4.307 1.673 1.774) 4.949 5.178 ( 14.319 13.031 12.383) 22.983 6.164 ( 19.165 6.359 -23.963) 31.336 6.439 ( 11.133 -15.672 -17.754) 26.168 7.530 ( -14.286 6.383 -13.942) 20.957 8.019 ( -20.925 -1.586 -0.903) 21.004 8.545 ( 5.667 6.433 12.015) 14.760 8.731 ( -12.329 -3.457 2.743) 13.095 9.486 ( -4.912 -7.889 -5.106) 10.604 9.798 ( -4.024 -3.184 25.337) 25.852 10.221 ( -0.329 -6.668 16.166) 17.490 11.015 ( 10.388 0.339 -15.117) 18.345 11.549 ( 5.841 8.068 8.061) 12.814 12.071 ( 7.566 -3.029 -11.553) 14.139 12.617 ( -10.509 15.991 -5.710) 19.969 13.991 ( 2.444 -6.022 8.584) 10.767 14.170 ( -20.747 -13.716 -11.440) 27.375 14.801 ( 2.353 -18.041 11.034) 21.279 15.480 ( -5.614 10.001 1.088) 11.520 15.688 ( 8.572 6.617 12.757) 16.733 16.848 ( 4.203 2.387 12.045) 12.978 17.423 ( -5.155 -10.570 -2.537) 12.030 18.974 ( -0.641 7.856 -15.253) 17.169 19.395 ( 8.321 3.803 -1.682) 9.302 20.057 ( -2.267 -1.163 -2.122) 3.316 20.203 ( 2.346 0.690 0.682) 2.539 ======================= Grid point 506 (159/189) ======================= q-point: ( 0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.061 ( -0.000 18.114 21.128) 27.830 3.418 ( -0.000 20.200 28.730) 35.120 4.194 ( 0.000 -8.183 -21.236) 22.758 4.483 ( -0.000 -1.147 7.278) 7.368 5.021 ( -0.000 5.144 3.636) 6.300 5.237 ( 0.000 10.311 -25.267) 27.289 6.160 ( -0.000 6.777 28.607) 29.399 6.990 ( 0.000 -26.239 9.096) 27.771 7.526 ( 0.000 -28.010 -12.168) 30.539 8.534 ( 0.000 2.127 -22.853) 22.952 8.569 ( -0.000 4.462 12.267) 13.053 8.835 ( -0.000 2.090 10.671) 10.874 9.882 ( -0.000 11.837 3.192) 12.260 9.936 ( -0.000 -13.547 10.152) 16.928 10.119 ( -0.000 15.080 19.317) 24.507 10.891 ( 0.000 11.082 -7.244) 13.240 11.494 ( 0.000 -23.363 0.430) 23.367 12.374 ( 0.000 -7.592 -0.507) 7.609 12.378 ( 0.000 -7.205 -2.379) 7.587 13.293 ( -0.000 10.463 1.115) 10.522 14.290 ( -0.000 32.441 -13.275) 35.052 14.375 ( -0.000 26.491 -4.852) 26.932 15.758 ( 0.000 -39.863 20.247) 44.710 16.997 ( 0.000 -16.647 -9.581) 19.207 17.480 ( -0.000 -1.044 21.681) 21.706 17.555 ( -0.000 1.254 13.412) 13.471 18.403 ( 0.000 -10.233 -14.928) 18.099 19.157 ( 0.000 8.227 -15.766) 17.783 20.057 ( -0.000 -1.227 1.377) 1.844 20.158 ( -0.000 4.328 -1.814) 4.693 ======================= Grid point 507 (160/189) ======================= q-point: ( 0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.299 ( -3.974 16.702 17.646) 24.620 3.807 ( 3.632 11.263 22.711) 25.609 4.073 ( 5.892 0.894 -14.670) 15.834 4.535 ( -0.841 1.443 10.937) 11.063 5.004 ( -3.670 5.666 -13.411) 15.014 5.257 ( 9.090 5.209 -19.145) 21.824 6.442 ( 0.314 0.913 25.151) 25.169 6.754 ( -3.962 -17.070 13.815) 22.315 7.131 ( -2.438 -29.213 -11.642) 31.542 8.295 ( -10.366 4.514 -17.573) 20.896 8.846 ( 13.962 2.055 6.520) 15.546 8.929 ( 3.644 -1.705 9.168) 10.012 9.821 ( -4.996 -12.178 8.915) 15.898 9.979 ( -4.983 10.766 3.507) 12.371 10.350 ( -4.779 14.317 15.582) 21.694 10.914 ( 0.449 3.740 -6.697) 7.684 11.376 ( 9.691 -16.723 -3.569) 19.655 11.910 ( -20.179 -5.469 -7.766) 22.303 12.707 ( 24.206 -6.537 3.185) 25.275 13.344 ( -10.081 17.335 -0.093) 20.054 14.483 ( -0.481 26.985 -1.378) 27.025 14.721 ( 10.543 22.715 -9.062) 26.632 15.479 ( -2.814 -38.358 22.269) 44.443 16.651 ( -11.770 -17.724 -15.546) 26.351 17.379 ( -18.266 -0.040 18.704) 26.144 17.659 ( 4.148 -11.074 4.831) 12.774 18.417 ( 14.013 -1.054 -3.780) 14.552 19.131 ( -0.986 8.988 -15.394) 17.853 20.061 ( 0.683 -1.491 2.249) 2.783 20.183 ( 0.262 2.429 -2.170) 3.267 ======================= Grid point 508 (161/189) ======================= q-point: ( 0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.500 ( -1.668 14.930 13.887) 20.458 3.941 ( 4.299 -2.380 -0.864) 4.989 4.261 ( 6.322 9.158 10.312) 15.172 4.616 ( -2.466 4.190 15.319) 16.072 4.905 ( -2.279 4.659 -15.715) 16.549 5.346 ( 11.166 1.996 -20.323) 23.274 6.197 ( -19.205 -18.243 7.977) 27.663 6.577 ( -6.061 -23.049 -10.741) 26.141 7.201 ( 21.286 0.256 24.555) 32.498 8.080 ( -9.565 8.337 -18.067) 22.078 8.972 ( -1.970 1.653 6.852) 7.319 9.121 ( 11.394 -4.750 1.822) 12.478 9.683 ( -2.664 -12.121 11.721) 17.070 9.956 ( -9.853 6.723 0.778) 11.953 10.374 ( -13.287 6.085 12.148) 19.003 10.939 ( 5.145 -1.711 -7.507) 9.261 11.339 ( 0.209 -9.484 -0.766) 9.517 11.648 ( 0.924 3.078 -10.438) 10.922 13.057 ( 13.489 1.787 7.705) 15.637 13.327 ( -4.113 12.455 -5.605) 14.264 14.728 ( -0.722 15.168 7.189) 16.801 14.965 ( 5.650 3.174 -3.586) 7.407 15.290 ( 2.117 -18.058 19.704) 26.811 16.111 ( -18.708 -14.119 -21.750) 31.974 17.166 ( -18.844 -0.293 16.645) 25.144 17.602 ( 4.028 -13.898 -3.487) 14.884 18.679 ( 13.684 2.753 4.333) 14.615 19.116 ( 0.014 9.497 -14.927) 17.692 20.077 ( 1.127 -1.767 3.069) 3.717 20.183 ( -0.439 0.997 -2.582) 2.803 ======================= Grid point 509 (162/189) ======================= q-point: ( 0.67 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.691 ( -0.365 12.742 8.074) 15.089 3.964 ( 3.960 -6.474 -0.894) 7.641 4.458 ( -1.743 4.014 14.309) 14.963 4.740 ( 3.510 6.629 4.062) 8.530 4.868 ( 1.276 4.472 0.452) 4.672 5.335 ( -2.607 -7.355 -14.704) 16.646 5.793 ( -9.220 -6.816 -0.936) 11.504 6.219 ( 1.494 -24.732 -13.950) 28.434 7.738 ( 20.191 3.544 19.559) 28.333 7.914 ( -8.355 11.235 -16.264) 21.460 8.932 ( -10.422 2.875 3.864) 11.481 9.098 ( -5.610 -4.946 -3.048) 8.077 9.719 ( 6.411 -10.642 14.576) 19.152 9.770 ( -10.670 -3.392 -4.693) 12.140 10.291 ( -9.276 1.449 17.952) 20.258 10.867 ( 1.364 -6.063 -16.499) 17.631 11.364 ( 2.349 5.581 10.184) 11.848 11.736 ( 10.933 2.080 -12.496) 16.733 13.123 ( -16.915 21.588 -2.475) 27.537 13.532 ( 21.992 -7.561 4.576) 23.701 14.693 ( -8.381 -14.721 12.529) 21.069 14.932 ( -5.605 -13.838 -2.961) 15.221 15.442 ( 6.584 5.887 11.102) 14.186 15.651 ( -8.817 4.260 -16.492) 19.180 16.991 ( -12.886 0.191 14.757) 19.592 17.488 ( 1.866 -13.756 -6.522) 15.338 18.930 ( 6.827 6.223 3.793) 9.986 19.138 ( 3.917 7.412 -12.259) 14.851 20.097 ( 0.504 -1.514 3.047) 3.440 20.162 ( -0.351 0.292 -2.890) 2.926 ======================= Grid point 510 (163/189) ======================= q-point: (-0.25 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.778 ( -2.870 5.022 -5.363) 7.887 3.958 ( 1.781 -6.027 8.478) 10.554 4.469 ( -8.082 1.299 12.734) 15.138 4.801 ( -1.022 -5.735 -0.926) 5.899 4.916 ( -14.354 -9.045 0.333) 16.970 5.163 ( 11.124 10.630 11.184) 19.022 5.795 ( 11.260 0.213 -15.841) 19.437 6.013 ( 9.133 -14.372 -13.979) 22.031 7.757 ( -11.657 13.064 -14.375) 22.654 8.132 ( 8.244 -0.126 9.152) 12.318 8.742 ( -14.423 3.402 2.435) 15.017 8.924 ( -10.005 -0.826 1.924) 10.222 9.465 ( -8.880 -7.912 -7.492) 14.056 9.859 ( 6.778 -12.836 18.521) 23.531 10.309 ( -4.483 -1.263 19.052) 19.613 10.769 ( 6.134 -3.186 -16.394) 17.792 11.574 ( 6.019 9.466 8.065) 13.816 11.843 ( 8.969 0.526 -11.572) 14.651 13.002 ( -17.446 19.614 -5.462) 26.813 13.824 ( 15.237 -7.783 7.234) 18.576 14.321 ( -21.400 -14.781 -9.558) 27.709 14.635 ( 0.293 -22.108 8.043) 23.528 15.634 ( -1.602 10.353 -4.368) 11.351 15.698 ( 7.651 6.105 12.996) 16.269 16.937 ( -4.311 0.221 12.693) 13.407 17.323 ( -0.612 -12.905 -7.586) 14.982 19.025 ( -2.631 11.273 -8.807) 14.545 19.275 ( 9.587 3.287 0.116) 10.136 20.080 ( -2.417 -0.100 -1.027) 2.628 20.167 ( 2.287 -0.506 -0.052) 2.343 ======================= Grid point 519 (164/189) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.521 ( -0.000 4.279 10.147) 11.012 3.953 ( 0.000 9.094 -12.147) 15.174 4.087 ( -0.000 15.105 21.684) 26.426 4.663 ( -0.000 6.411 15.703) 16.961 5.031 ( 0.000 4.470 -12.393) 13.174 5.058 ( 0.000 3.034 -23.924) 24.116 6.562 ( 0.000 -29.011 3.121) 29.178 6.694 ( -0.000 6.047 32.475) 33.033 6.836 ( 0.000 -24.886 -9.047) 26.480 8.382 ( 0.000 10.194 -20.968) 23.315 8.663 ( -0.000 -8.757 10.175) 13.425 8.968 ( -0.000 -1.985 9.790) 9.989 9.800 ( -0.000 -11.424 7.547) 13.692 10.161 ( -0.000 14.062 -0.489) 14.071 10.648 ( -0.000 15.210 17.260) 23.005 10.873 ( 0.000 3.247 -18.587) 18.869 11.102 ( 0.000 -16.942 -0.420) 16.947 12.151 ( 0.000 -9.280 -2.818) 9.698 12.270 ( 0.000 -1.672 -1.410) 2.188 13.639 ( -0.000 17.280 5.278) 18.068 14.704 ( -0.000 25.601 -12.051) 28.295 14.819 ( -0.000 23.192 -2.073) 23.285 15.265 ( -0.000 -38.600 24.432) 45.683 16.481 ( 0.000 -18.756 -16.200) 24.783 17.477 ( 0.000 -12.468 -6.282) 13.961 17.675 ( -0.000 -5.905 18.458) 19.379 18.280 ( -0.000 4.098 3.900) 5.657 19.134 ( 0.000 8.654 -13.339) 15.901 20.055 ( -0.000 -1.697 2.779) 3.256 20.188 ( 0.000 1.666 -2.100) 2.681 ======================= Grid point 520 (165/189) ======================= q-point: ( 0.58 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.604 ( 4.831 -0.128 3.632) 6.045 3.978 ( -4.785 12.742 -3.309) 14.007 4.359 ( 3.225 8.903 15.583) 18.235 4.834 ( -2.889 8.601 20.103) 22.056 4.881 ( -2.869 3.310 -18.963) 19.462 5.086 ( 7.918 3.874 -18.424) 20.424 6.211 ( -4.492 -29.130 -2.701) 29.598 6.479 ( -13.930 -19.220 -1.144) 23.765 7.073 ( 14.952 3.507 27.376) 31.390 8.231 ( -10.509 10.030 -16.058) 21.654 8.812 ( 16.788 -9.866 3.832) 19.846 9.006 ( 1.462 -3.349 7.435) 8.284 9.699 ( -4.272 -10.707 7.119) 13.549 10.208 ( -8.804 12.352 -4.166) 15.730 10.712 ( -13.644 1.602 9.086) 16.471 10.763 ( 3.480 -3.069 -18.860) 19.422 11.145 ( 12.363 -1.454 5.248) 13.509 11.799 ( -16.344 1.563 -3.821) 16.857 12.616 ( 27.261 -5.102 2.388) 27.837 13.716 ( -12.494 18.133 0.635) 22.030 14.860 ( 3.785 -3.618 -2.406) 5.762 14.937 ( -5.394 6.447 7.078) 10.990 15.193 ( 7.706 -3.064 12.210) 14.760 16.100 ( -11.267 -14.686 -19.930) 27.200 17.344 ( 4.694 -12.107 -11.273) 17.196 17.544 ( -16.311 -5.349 14.393) 22.401 18.516 ( 13.775 3.479 9.987) 17.367 19.136 ( -0.933 9.347 -11.285) 14.683 20.063 ( 0.800 -1.931 3.416) 4.004 20.185 ( -0.450 0.885 -2.121) 2.342 ======================= Grid point 521 (166/189) ======================= q-point: ( 0.67 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.739 ( 8.491 -1.463 4.391) 9.671 3.967 ( -6.826 8.774 -3.554) 11.671 4.558 ( 3.910 3.505 10.863) 12.065 4.764 ( -2.576 3.554 -12.741) 13.476 4.984 ( -2.710 5.430 19.024) 19.968 5.138 ( 6.535 4.355 -19.134) 20.683 5.875 ( -0.864 -23.701 -5.280) 24.297 6.027 ( -20.239 -13.700 4.327) 24.820 7.550 ( 19.649 2.063 20.893) 28.755 8.082 ( -8.786 12.298 -15.128) 21.384 8.956 ( 8.293 -10.392 2.716) 13.570 9.048 ( 2.906 -3.380 0.803) 4.529 9.586 ( -0.192 -12.235 10.294) 15.990 10.017 ( -18.402 5.969 -12.955) 23.283 10.561 ( -9.705 -2.297 14.838) 17.878 10.656 ( 3.201 -5.614 -19.439) 20.485 11.406 ( 9.201 5.329 10.044) 14.627 11.646 ( -4.703 8.244 -7.127) 11.869 13.046 ( 27.475 -6.301 5.412) 28.703 13.621 ( -17.564 18.342 -4.362) 25.767 14.677 ( -3.485 -27.350 15.623) 31.690 14.935 ( -8.889 -4.455 -5.551) 11.387 15.436 ( 8.613 8.091 6.459) 13.467 15.719 ( -7.349 3.288 -17.816) 19.550 17.240 ( 3.493 -11.389 -9.684) 15.352 17.310 ( -14.256 -3.810 10.275) 17.981 18.845 ( 13.531 2.802 10.897) 17.598 19.142 ( -1.741 10.263 -10.278) 14.629 20.086 ( 1.443 -1.907 3.785) 4.477 20.162 ( -1.342 0.658 -2.605) 3.003 ======================= Grid point 522 (167/189) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.875 ( -7.007 3.118 -6.374) 9.973 3.875 ( 6.204 -4.510 6.374) 9.973 4.686 ( 2.039 -1.334 -12.246) 12.486 4.686 ( -2.175 1.099 12.246) 12.486 5.076 ( -5.025 -1.931 -10.293) 11.616 5.076 ( 0.840 -5.318 10.293) 11.616 5.729 ( 2.793 -3.984 -7.101) 8.608 5.729 ( -4.847 0.427 7.101) 8.608 7.976 ( -8.827 13.986 -13.548) 21.379 7.976 ( 16.525 -0.651 13.548) 21.379 8.960 ( -6.173 -3.898 -3.922) 8.287 8.960 ( -0.289 -7.295 3.922) 8.287 9.627 ( -20.126 1.405 -12.821) 23.904 9.627 ( 11.280 -16.727 12.821) 23.904 10.534 ( 3.879 -5.334 -19.166) 20.270 10.534 ( -6.559 0.693 19.166) 20.270 11.661 ( 4.887 7.393 -14.299) 16.822 11.661 ( 3.959 7.928 14.299) 16.822 13.454 ( -15.190 15.268 -7.106) 22.679 13.454 ( 20.818 -5.521 7.106) 22.679 14.476 ( -19.227 -14.839 -17.046) 29.672 14.476 ( -3.237 -24.071 17.046) 29.672 15.693 ( 0.647 9.981 -9.371) 13.706 15.693 ( 8.320 5.551 9.371) 13.706 17.129 ( 1.587 -9.846 -12.127) 15.701 17.129 ( -9.320 -3.549 12.127) 15.701 19.144 ( -0.706 9.884 -11.306) 15.034 19.144 ( 8.913 4.331 11.306) 15.034 20.121 ( -1.305 0.379 -4.115) 4.334 20.121 ( 0.981 -0.941 4.115) 4.334 ======================= Grid point 533 (168/189) ======================= q-point: ( 0.58 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.558 ( 0.000 1.559 -0.982) 1.842 4.117 ( -0.000 6.874 -0.732) 6.913 4.488 ( -0.000 5.034 8.959) 10.276 4.810 ( 0.000 2.562 -17.556) 17.742 4.972 ( 0.000 9.674 -15.954) 18.658 5.098 ( -0.000 8.922 22.334) 24.050 5.906 ( 0.000 -29.317 -7.394) 30.235 6.493 ( 0.000 -12.217 7.115) 14.138 7.129 ( -0.000 1.725 24.768) 24.828 8.388 ( 0.000 15.580 -19.126) 24.668 8.507 ( 0.000 -18.382 7.715) 19.936 8.981 ( -0.000 -7.133 5.844) 9.221 9.680 ( -0.000 -9.773 5.974) 11.455 10.385 ( -0.000 13.576 -7.971) 15.743 10.532 ( 0.000 -6.846 -25.943) 26.832 10.850 ( 0.000 -10.760 4.321) 11.595 11.136 ( -0.000 14.641 11.204) 18.436 12.027 ( 0.000 -2.227 1.054) 2.464 12.272 ( -0.000 1.569 1.566) 2.216 13.983 ( -0.000 13.119 0.284) 13.122 14.711 ( 0.000 -24.004 9.338) 25.756 15.142 ( -0.000 6.674 6.093) 9.037 15.156 ( -0.000 11.489 -1.008) 11.533 15.937 ( 0.000 -11.717 -20.369) 23.499 17.123 ( 0.000 -7.438 -14.831) 16.591 17.698 ( -0.000 -9.645 10.022) 13.909 18.495 ( -0.000 4.835 13.386) 14.233 19.178 ( 0.000 9.324 -7.103) 11.721 20.058 ( -0.000 -2.167 3.687) 4.277 20.186 ( 0.000 0.876 -1.525) 1.759 ======================= Grid point 534 (169/189) ======================= q-point: ( 0.67 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.633 ( 5.355 3.358 1.288) 6.451 4.099 ( -4.248 0.468 -3.985) 5.843 4.519 ( 2.050 -3.314 -5.861) 7.038 4.786 ( -0.656 7.201 -3.716) 8.130 5.025 ( 3.807 12.669 -15.389) 20.294 5.173 ( -5.385 -12.001 11.650) 17.571 5.691 ( -0.175 -4.939 4.484) 6.673 6.304 ( -16.855 -8.010 11.780) 22.068 7.401 ( 13.672 -0.461 19.696) 23.981 8.231 ( -7.625 3.208 -8.675) 11.987 8.627 ( 15.323 -7.433 -3.316) 17.350 8.950 ( 2.588 -9.194 2.600) 9.899 9.587 ( -4.072 -9.286 5.771) 11.667 10.213 ( -10.080 -1.757 -21.879) 24.153 10.436 ( 1.252 1.046 -18.715) 18.786 10.759 ( -5.877 -2.427 12.798) 14.291 11.382 ( 6.369 11.291 3.940) 13.549 11.863 ( -11.810 5.061 3.872) 13.420 12.586 ( 24.319 -2.345 4.185) 24.787 13.983 ( -10.765 10.626 -4.386) 15.749 14.526 ( -0.532 -28.315 14.116) 31.643 15.043 ( -12.005 -3.992 -4.168) 13.321 15.390 ( 9.728 7.856 2.110) 12.681 15.719 ( -2.417 3.222 -18.709) 19.138 17.010 ( 3.225 -4.342 -14.638) 15.606 17.544 ( -11.271 -8.772 7.943) 16.343 18.731 ( 10.788 3.347 13.461) 17.572 19.224 ( -1.289 9.778 -4.182) 10.713 20.067 ( 0.863 -2.296 3.548) 4.313 20.180 ( -0.904 1.193 -1.293) 1.978 ======================= Grid point 548 (170/189) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.657 ( -0.000 7.165 3.354) 7.911 4.061 ( 0.000 -7.190 -6.757) 9.867 4.401 ( 0.000 -4.830 -12.007) 12.942 4.849 ( -0.000 5.987 -0.335) 5.996 5.004 ( 0.000 -29.360 -3.606) 29.580 5.051 ( 0.000 17.034 -13.600) 21.797 5.870 ( -0.000 16.337 20.934) 26.554 6.511 ( -0.000 -1.288 16.371) 16.422 7.368 ( -0.000 -3.706 16.972) 17.372 8.159 ( 0.000 -25.704 4.604) 26.113 8.477 ( 0.000 15.703 -16.206) 22.565 8.833 ( 0.000 -11.964 0.329) 11.968 9.572 ( 0.000 -8.530 5.103) 9.940 10.036 ( 0.000 -8.015 -27.865) 28.995 10.389 ( 0.000 1.974 -16.649) 16.766 10.895 ( -0.000 4.704 13.649) 14.437 11.451 ( -0.000 10.583 -1.393) 10.675 12.081 ( -0.000 0.861 9.140) 9.180 12.358 ( -0.000 3.154 4.398) 5.412 14.100 ( 0.000 2.748 -7.171) 7.680 14.348 ( 0.000 -27.240 14.228) 30.732 15.125 ( 0.000 -7.942 -8.052) 11.309 15.316 ( -0.000 5.119 0.398) 5.135 15.672 ( 0.000 8.685 -17.001) 19.091 16.887 ( 0.000 2.523 -14.512) 14.729 17.576 ( 0.000 -11.063 3.377) 11.567 18.767 ( -0.000 3.709 16.934) 17.336 19.312 ( -0.000 9.423 -0.892) 9.465 20.060 ( -0.000 -2.477 3.600) 4.370 20.195 ( -0.000 1.763 -1.056) 2.055 ======================= Grid point 641 (171/189) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( -0.000 0.000 33.307) 33.307 2.592 ( -0.000 0.000 33.307) 33.307 4.525 ( -0.000 0.000 3.146) 3.146 4.767 ( -0.000 0.000 30.027) 30.027 4.852 ( 0.000 -0.000 -27.080) 27.080 4.852 ( 0.000 -0.000 -27.080) 27.080 5.880 ( -0.000 0.000 14.774) 14.774 7.898 ( -0.000 0.000 13.024) 13.024 7.898 ( -0.000 -0.000 13.024) 13.024 8.463 ( 0.000 0.000 -0.126) 0.126 8.463 ( -0.000 -0.000 -0.126) 0.126 8.700 ( 0.000 -0.000 -30.002) 30.002 9.633 ( -0.000 0.000 15.147) 15.147 9.633 ( -0.000 0.000 15.147) 15.147 10.420 ( 0.000 0.000 3.324) 3.324 10.420 ( -0.000 0.000 3.324) 3.324 12.284 ( -0.000 0.000 4.631) 4.631 12.284 ( -0.000 -0.000 4.631) 4.631 12.949 ( -0.000 0.000 3.019) 3.019 13.368 ( 0.000 0.000 -13.633) 13.633 13.368 ( 0.000 -0.000 -13.633) 13.633 13.431 ( 0.000 -0.000 -6.411) 6.411 16.801 ( -0.000 0.000 9.647) 9.647 17.170 ( -0.000 0.000 25.309) 25.309 17.170 ( -0.000 -0.000 25.309) 25.309 17.487 ( 0.000 -0.000 -8.394) 8.394 18.969 ( 0.000 0.000 -18.435) 18.435 18.969 ( 0.000 -0.000 -18.435) 18.435 19.995 ( -0.000 0.000 2.022) 2.022 20.071 ( 0.000 -0.000 -0.200) 0.200 ======================= Grid point 642 (172/189) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( -0.663 -0.383 29.854) 29.864 3.105 ( 17.371 10.029 31.784) 37.584 4.413 ( -8.103 -4.678 -14.402) 17.174 4.587 ( -0.569 -0.328 -5.980) 6.016 4.827 ( 2.097 1.211 -9.414) 9.721 5.041 ( 11.964 6.907 -7.077) 15.522 6.069 ( 5.068 2.926 28.682) 29.273 7.484 ( -23.892 -13.794 11.733) 29.979 8.096 ( -16.907 -9.761 -6.305) 20.516 8.333 ( 5.877 3.393 -5.239) 8.573 8.479 ( 4.966 2.867 -7.379) 9.345 8.775 ( 12.042 6.952 -1.593) 13.995 9.756 ( 3.848 2.222 9.660) 10.633 9.797 ( 2.801 1.617 20.340) 20.596 10.199 ( -10.647 -6.147 3.396) 12.755 10.655 ( 9.448 5.455 -0.394) 10.917 12.155 ( -9.269 -5.351 -0.608) 10.720 12.182 ( -13.146 -7.590 9.838) 18.089 12.852 ( -16.431 -9.486 -14.762) 24.039 13.032 ( 11.018 6.361 2.569) 12.979 13.596 ( 11.758 6.788 -4.084) 14.178 13.900 ( 30.482 17.599 -13.301) 37.626 16.560 ( -20.500 -11.836 15.094) 28.074 17.138 ( -10.619 -6.131 19.698) 23.203 17.324 ( -10.592 -6.115 -5.783) 13.529 17.605 ( 12.326 7.117 22.404) 26.543 18.796 ( 0.149 0.086 -19.760) 19.761 18.884 ( -0.269 -0.155 -17.435) 17.438 20.059 ( 3.761 2.171 0.512) 4.372 20.074 ( 0.411 0.237 0.132) 0.493 ======================= Grid point 643 (173/189) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.910 ( 4.535 2.618 23.858) 24.426 3.665 ( 14.604 8.432 29.488) 33.970 4.214 ( 0.103 0.059 -16.370) 16.371 4.558 ( -2.268 -1.309 3.538) 4.401 4.799 ( 2.782 1.606 -15.630) 15.957 5.247 ( 12.754 7.364 -15.136) 21.118 6.423 ( 7.145 4.125 30.626) 31.717 7.004 ( -24.172 -13.956 11.255) 30.096 7.695 ( -13.759 -7.944 -6.752) 17.262 8.106 ( -5.866 -3.387 -26.462) 27.315 8.727 ( 5.463 3.154 7.649) 9.915 9.062 ( 12.700 7.333 3.657) 15.114 9.875 ( 1.525 0.880 5.554) 5.827 9.963 ( -0.426 -0.246 22.252) 22.257 9.997 ( -8.742 -5.047 3.852) 10.804 10.849 ( 8.479 4.895 -0.229) 9.794 11.813 ( -17.354 -10.019 -10.849) 22.787 12.014 ( -5.880 -3.395 8.177) 10.628 12.535 ( -5.288 -3.053 -11.452) 12.978 13.352 ( 14.536 8.392 2.864) 17.027 13.902 ( 16.112 9.302 2.844) 18.820 14.439 ( 24.137 13.935 -10.026) 29.619 16.174 ( -22.865 -13.201 18.487) 32.231 16.819 ( -20.390 -11.772 -14.031) 27.408 17.079 ( -13.670 -7.892 19.753) 25.285 17.898 ( 1.980 1.143 18.139) 18.283 18.733 ( 4.487 2.591 -18.346) 19.064 18.822 ( 4.860 2.806 -14.304) 15.365 20.093 ( 0.956 0.552 0.965) 1.466 20.130 ( 2.388 1.379 -0.996) 2.932 ======================= Grid point 644 (174/189) ======================= q-point: ( 0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.176 ( 7.653 4.418 17.244) 19.376 4.086 ( 7.450 4.301 26.909) 28.250 4.203 ( 5.685 3.282 -13.895) 15.367 4.542 ( -1.959 -1.131 10.763) 10.998 4.771 ( 3.490 2.015 -14.978) 15.510 5.419 ( 12.561 7.252 -20.586) 25.182 6.311 ( -26.736 -15.436 9.928) 32.429 6.839 ( -1.967 -1.136 4.544) 5.080 7.567 ( 5.583 3.223 13.010) 14.520 7.817 ( -5.422 -3.131 -25.057) 25.827 8.779 ( -3.557 -2.054 2.861) 5.005 9.249 ( 0.348 0.201 -2.238) 2.274 9.893 ( -2.416 -1.395 3.412) 4.408 9.920 ( 0.693 0.400 9.334) 9.368 10.040 ( -5.473 -3.160 24.120) 24.934 11.038 ( 8.429 4.867 1.015) 9.786 11.353 ( -15.125 -8.732 -14.286) 22.563 12.012 ( 1.978 1.142 1.802) 2.909 12.410 ( -1.052 -0.607 -9.584) 9.661 13.676 ( 12.484 7.208 3.366) 14.803 14.319 ( 16.838 9.722 9.128) 21.479 14.851 ( 17.176 9.917 -3.995) 20.232 15.801 ( -20.923 -12.080 20.469) 31.665 16.171 ( -25.977 -14.998 -22.864) 37.716 16.915 ( -11.628 -6.713 18.927) 23.206 17.925 ( -5.800 -3.348 8.205) 10.591 18.747 ( 5.970 3.447 -16.552) 17.930 18.928 ( 9.509 5.490 -6.544) 12.783 20.124 ( 1.050 0.606 1.617) 2.021 20.148 ( 0.181 0.105 -1.927) 1.939 ======================= Grid point 645 (175/189) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.449 ( 9.017 5.206 9.528) 14.113 4.185 ( -2.496 -1.441 -6.745) 7.334 4.331 ( 1.333 0.770 20.940) 20.997 4.689 ( 8.832 5.099 13.891) 17.232 4.777 ( 4.025 2.324 -9.315) 10.410 5.473 ( -5.367 -3.099 -13.651) 14.992 5.817 ( -10.774 -6.220 -1.853) 12.577 6.686 ( -5.755 -3.323 -12.956) 14.561 7.566 ( -4.067 -2.348 -21.710) 22.212 7.998 ( 17.459 10.080 22.120) 29.929 8.591 ( -13.890 -8.020 -1.699) 16.129 9.087 ( -9.939 -5.738 -4.762) 12.425 9.768 ( -6.983 -4.032 -3.795) 8.912 10.039 ( -8.047 -4.646 26.446) 28.031 10.149 ( 8.378 4.837 16.523) 19.146 11.017 ( -6.995 -4.038 -12.992) 15.298 11.239 ( 9.035 5.216 1.227) 10.505 12.075 ( 3.500 2.021 -4.728) 6.220 12.355 ( 0.865 0.499 -7.468) 7.534 13.936 ( 8.413 4.857 5.100) 10.972 14.658 ( 3.476 2.007 9.471) 10.286 15.137 ( 7.346 4.241 1.122) 8.556 15.482 ( -18.102 -10.451 -24.379) 32.113 15.549 ( -10.846 -6.262 21.352) 24.754 16.826 ( -5.567 -3.214 16.438) 17.650 17.787 ( -8.438 -4.872 0.689) 9.768 18.774 ( 5.219 3.013 -16.096) 17.188 19.119 ( 9.283 5.360 -1.312) 10.799 20.120 ( -1.347 -0.778 -2.746) 3.156 20.158 ( 1.083 0.625 1.663) 2.081 ======================= Grid point 654 (176/189) ======================= q-point: ( 0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( -0.000 6.097 28.495) 29.140 3.255 ( -0.000 16.049 32.000) 35.799 4.255 ( 0.000 -12.362 -25.550) 28.384 4.547 ( -0.000 -1.320 4.259) 4.459 4.814 ( 0.000 15.649 -25.954) 30.307 4.967 ( -0.000 2.063 -0.717) 2.184 6.268 ( -0.000 3.479 38.320) 38.477 7.562 ( 0.000 -26.649 9.896) 28.427 7.980 ( 0.000 -25.756 -10.117) 27.672 8.339 ( 0.000 1.261 -29.005) 29.032 8.438 ( -0.000 15.939 11.682) 19.762 8.755 ( -0.000 12.473 3.294) 12.901 9.794 ( -0.000 1.027 11.034) 11.082 9.984 ( -0.000 10.985 19.151) 22.078 10.214 ( 0.000 -11.131 1.786) 11.274 10.637 ( -0.000 10.927 -5.833) 12.387 12.002 ( 0.000 -26.074 4.765) 26.506 12.475 ( -0.000 0.273 8.318) 8.323 12.591 ( 0.000 -17.937 -3.959) 18.369 13.157 ( 0.000 0.369 -9.219) 9.227 13.590 ( -0.000 31.593 -8.617) 32.747 13.792 ( -0.000 29.096 -8.828) 30.406 16.568 ( 0.000 -30.589 16.077) 34.556 17.235 ( 0.000 -12.941 -8.635) 15.558 17.562 ( -0.000 7.762 20.315) 21.747 17.604 ( -0.000 3.359 24.685) 24.913 18.530 ( 0.000 -12.916 -20.377) 24.126 18.878 ( 0.000 9.222 -19.135) 21.241 20.065 ( -0.000 4.168 0.347) 4.182 20.070 ( -0.000 0.132 0.137) 0.190 ======================= Grid point 655 (177/189) ======================= q-point: ( 0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.145 ( -4.822 10.409 24.533) 27.083 3.727 ( 11.553 13.380 29.292) 34.213 4.025 ( 3.346 -6.484 -22.054) 23.229 4.579 ( 0.632 0.031 5.294) 5.332 4.763 ( -2.991 9.834 -18.996) 21.599 5.038 ( 8.392 4.801 -13.540) 16.637 6.581 ( 3.265 3.257 37.397) 37.681 7.234 ( -14.426 -23.023 9.347) 28.732 7.609 ( -4.011 -26.339 -9.504) 28.287 8.068 ( -9.541 3.830 -27.661) 29.509 8.770 ( 8.415 10.510 9.232) 16.326 8.934 ( 7.953 6.545 2.603) 10.624 9.883 ( 1.196 1.298 7.502) 7.707 10.066 ( -5.980 -8.475 2.182) 10.599 10.200 ( -2.431 11.568 18.083) 21.604 10.748 ( 6.940 7.388 -8.279) 13.088 11.805 ( 4.539 -25.558 3.588) 26.205 12.026 ( -23.711 -12.161 -6.272) 27.376 12.795 ( 2.809 5.915 5.271) 8.406 13.063 ( 3.884 4.018 -6.958) 8.924 13.948 ( 7.131 27.263 0.920) 28.196 14.186 ( 18.388 25.323 -10.818) 33.112 16.298 ( -7.539 -31.645 18.439) 37.393 16.899 ( -14.453 -16.492 -13.429) 25.714 17.478 ( -18.943 1.875 21.039) 28.372 17.900 ( 6.546 -6.516 13.895) 16.685 18.421 ( 12.174 -4.620 -11.887) 17.631 18.831 ( -2.277 11.150 -18.341) 21.585 20.082 ( 0.920 0.166 0.917) 1.310 20.116 ( 1.310 3.159 -0.938) 3.546 ======================= Grid point 656 (178/189) ======================= q-point: ( 0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.327 ( -2.207 11.369 19.152) 22.381 3.962 ( 9.738 -3.098 -14.419) 17.673 4.192 ( 8.309 8.690 24.070) 26.906 4.639 ( -0.168 2.996 9.291) 9.764 4.691 ( -1.549 5.852 -15.433) 16.577 5.147 ( 11.231 5.054 -20.084) 23.559 6.617 ( -19.267 -17.156 13.249) 29.002 6.889 ( -8.965 -13.156 2.851) 16.173 7.445 ( 12.328 -10.818 15.127) 22.312 7.792 ( -8.453 6.143 -27.231) 29.167 8.916 ( -4.678 7.412 5.171) 10.176 9.164 ( 9.352 0.894 -1.224) 9.474 9.916 ( -2.663 -1.555 2.604) 4.036 9.931 ( -0.783 -6.406 6.398) 9.087 10.327 ( -7.526 7.698 19.006) 21.844 10.888 ( 9.830 2.411 -8.805) 13.415 11.504 ( -20.050 -6.768 -8.657) 22.863 11.731 ( 10.989 -19.668 0.664) 22.539 12.761 ( -19.033 23.063 -0.466) 29.906 13.336 ( 25.795 -6.926 0.063) 26.709 14.354 ( 8.044 24.966 6.859) 27.111 14.650 ( 18.140 17.406 -6.868) 26.062 15.976 ( -9.843 -28.570 20.284) 36.395 16.299 ( -23.756 -17.892 -20.564) 36.157 17.274 ( -19.725 -0.543 18.408) 26.986 17.883 ( 3.202 -15.892 -1.132) 16.251 18.618 ( 8.722 6.427 0.055) 10.834 18.829 ( 3.524 9.773 -13.672) 17.171 20.111 ( 1.329 -0.200 1.738) 2.197 20.143 ( 0.276 1.505 -2.005) 2.522 ======================= Grid point 657 (179/189) ======================= q-point: ( 0.67 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.513 ( 0.016 10.263 11.214) 15.201 4.041 ( 9.866 -2.917 -7.991) 13.027 4.474 ( 1.144 3.948 18.748) 19.194 4.657 ( 3.266 3.146 -8.262) 9.425 4.766 ( 1.950 7.280 12.391) 14.503 5.246 ( 11.231 2.466 -22.642) 25.394 6.086 ( -26.017 -17.980 8.192) 32.670 6.582 ( -4.448 -19.224 -9.487) 21.894 7.559 ( -7.483 9.084 -23.716) 26.475 7.857 ( 19.794 0.521 22.103) 29.675 8.845 ( -14.277 6.311 0.702) 15.626 9.144 ( -5.483 -3.157 -6.493) 9.066 9.797 ( -6.309 -5.840 -3.332) 9.220 10.039 ( 10.775 -6.223 13.615) 18.445 10.358 ( -8.716 3.335 21.844) 23.754 10.922 ( 2.255 -9.048 -12.634) 15.702 11.247 ( -3.737 8.936 -2.699) 10.055 11.779 ( 13.174 -12.489 -2.803) 18.368 12.666 ( -17.418 23.111 -3.241) 29.121 13.693 ( 22.176 -5.454 2.939) 23.025 14.722 ( 4.168 13.098 9.259) 16.572 15.010 ( 12.132 7.040 -2.249) 14.206 15.579 ( -23.216 -12.143 -23.339) 35.087 15.720 ( -7.111 -18.854 19.887) 28.311 17.082 ( -14.419 -0.522 16.058) 21.588 17.740 ( 0.817 -15.557 -5.849) 16.641 18.725 ( -0.962 11.818 -10.323) 15.721 18.999 ( 10.895 4.321 0.992) 11.762 20.119 ( -1.130 -0.170 -1.836) 2.163 20.151 ( 1.210 -0.013 0.935) 1.529 ======================= Grid point 668 (180/189) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.453 ( -0.000 10.488 20.528) 23.052 3.790 ( 0.000 -3.285 -21.706) 21.953 3.944 ( -0.000 15.452 27.578) 31.612 4.627 ( -0.000 6.504 0.667) 6.538 4.780 ( 0.000 8.728 -16.168) 18.374 4.912 ( 0.000 1.166 -10.815) 10.877 6.831 ( -0.000 2.873 38.991) 39.096 7.141 ( 0.000 -26.799 6.461) 27.567 7.290 ( 0.000 -29.301 -13.601) 32.304 8.066 ( 0.000 6.496 -26.095) 26.892 8.757 ( -0.000 4.010 7.591) 8.585 9.006 ( -0.000 6.729 6.660) 9.468 9.943 ( -0.000 3.549 3.656) 5.095 10.049 ( 0.000 -6.886 1.519) 7.051 10.464 ( -0.000 14.484 17.115) 22.422 10.679 ( 0.000 6.138 -14.935) 16.147 11.522 ( 0.000 -26.144 3.449) 26.371 12.337 ( 0.000 -12.495 -4.525) 13.289 12.340 ( 0.000 -6.397 -0.913) 6.462 13.334 ( -0.000 17.036 3.058) 17.308 14.087 ( -0.000 30.001 -8.530) 31.190 14.288 ( -0.000 29.717 -3.327) 29.903 16.142 ( 0.000 -36.143 20.487) 41.545 16.770 ( 0.000 -19.996 -13.774) 24.281 17.715 ( 0.000 -13.728 -1.604) 13.821 17.892 ( -0.000 -3.947 20.435) 20.813 18.207 ( -0.000 4.082 -0.828) 4.165 18.849 ( 0.000 11.348 -16.524) 20.046 20.083 ( -0.000 0.149 1.393) 1.401 20.131 ( -0.000 3.019 -1.220) 3.256 ======================= Grid point 669 (181/189) ======================= q-point: ( 0.58 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.600 ( 1.968 3.752 7.049) 8.224 3.726 ( -0.512 8.016 -7.753) 11.164 4.300 ( 6.429 9.651 22.638) 25.436 4.644 ( -0.827 8.915 -20.953) 22.785 4.803 ( -1.873 5.830 14.508) 15.747 4.915 ( 6.755 2.557 -16.484) 17.997 6.758 ( -10.458 -24.770 7.051) 27.797 6.868 ( -11.528 -22.873 -6.557) 26.440 7.247 ( 14.826 -4.217 28.350) 32.269 7.877 ( -10.487 10.914 -25.430) 29.594 8.947 ( 13.428 -1.366 2.550) 13.736 9.082 ( -1.736 3.169 6.778) 7.681 9.916 ( -2.439 -7.178 2.170) 7.885 10.006 ( -4.784 4.497 -1.093) 6.656 10.646 ( -6.263 11.123 14.832) 19.569 10.677 ( 6.731 0.875 -16.522) 17.862 11.383 ( 7.879 -19.578 3.966) 21.474 11.790 ( -24.140 -4.091 -5.108) 25.011 12.750 ( 30.588 -7.698 1.246) 31.566 13.338 ( -18.373 20.990 -0.278) 27.897 14.465 ( 14.368 23.177 -2.806) 27.414 14.587 ( 4.543 26.030 -2.664) 26.557 15.898 ( -3.110 -34.792 22.398) 41.495 16.334 ( -15.933 -20.539 -18.258) 31.766 17.566 ( 6.156 -17.429 -10.721) 21.368 17.717 ( -19.740 -3.593 13.477) 24.170 18.501 ( 15.654 4.546 11.062) 19.700 18.851 ( -2.214 12.448 -13.343) 18.382 20.102 ( 0.929 -0.219 2.196) 2.394 20.146 ( -0.144 1.799 -1.854) 2.587 ======================= Grid point 670 (182/189) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.757 ( 10.167 1.788 -13.375) 16.896 3.757 ( -3.535 9.698 13.375) 16.896 4.580 ( 0.686 5.651 -18.288) 19.153 4.580 ( 4.551 3.420 18.288) 19.153 4.957 ( 9.003 2.265 -20.229) 22.257 4.957 ( -2.540 8.930 20.229) 22.257 6.370 ( -7.046 -27.373 -10.520) 30.159 6.370 ( -20.183 -19.788 10.520) 30.159 7.676 ( -9.375 15.165 -24.668) 30.437 7.676 ( 17.821 -0.537 24.668) 30.437 9.089 ( 5.194 -3.548 -4.868) 7.954 9.089 ( -5.669 2.724 4.868) 7.954 9.874 ( -10.796 0.009 -8.249) 13.587 9.874 ( 5.406 -9.345 8.249) 13.587 10.666 ( 7.066 -6.887 -17.430) 20.029 10.666 ( -9.498 2.676 17.430) 20.029 11.457 ( -2.687 0.849 -9.639) 10.042 11.457 ( 2.079 -1.903 9.639) 10.042 13.202 ( -0.573 10.537 -7.465) 12.926 13.202 ( 9.411 4.772 7.465) 12.926 14.859 ( 11.225 10.117 -6.786) 16.565 14.859 ( 3.149 14.780 6.786) 16.565 15.695 ( -21.380 -13.783 -22.663) 34.069 15.695 ( -1.246 -25.407 22.663) 34.069 17.443 ( 7.048 -17.012 -12.626) 22.327 17.443 ( -18.256 -2.402 12.626) 22.327 18.851 ( -0.736 11.523 -12.884) 17.301 18.851 ( 10.347 5.125 12.884) 17.301 20.132 ( -1.054 0.625 -2.852) 3.104 20.132 ( 1.069 -0.600 2.852) 3.104 ======================= Grid point 682 (183/189) ======================= q-point: ( 0.58 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.479 ( 0.000 1.584 -13.748) 13.839 3.953 ( -0.000 12.161 11.228) 16.552 4.449 ( -0.000 6.577 14.658) 16.066 4.592 ( 0.000 8.034 -22.091) 23.507 4.777 ( 0.000 1.483 -13.872) 13.951 5.021 ( -0.000 11.481 20.781) 23.741 6.495 ( 0.000 -34.856 -9.033) 36.008 6.808 ( 0.000 -16.250 4.036) 16.744 7.292 ( -0.000 -0.608 30.924) 30.930 7.952 ( 0.000 14.039 -24.243) 28.014 8.786 ( 0.000 -6.907 2.908) 7.494 9.144 ( -0.000 -2.836 8.281) 8.753 9.884 ( 0.000 -7.642 1.973) 7.893 10.103 ( 0.000 9.312 -6.523) 11.370 10.478 ( 0.000 -2.921 -22.746) 22.933 10.929 ( -0.000 14.223 11.527) 18.308 11.152 ( 0.000 -18.062 6.713) 19.269 12.082 ( 0.000 -5.263 -4.506) 6.929 12.287 ( -0.000 -1.439 3.580) 3.858 13.701 ( -0.000 16.324 0.986) 16.354 14.497 ( -0.000 23.476 -10.244) 25.614 14.802 ( -0.000 23.536 0.837) 23.551 15.726 ( -0.000 -34.869 24.760) 42.766 16.161 ( 0.000 -21.731 -18.257) 28.382 17.251 ( 0.000 -15.267 -16.372) 22.386 17.935 ( -0.000 -9.114 7.850) 12.029 18.459 ( -0.000 7.385 13.733) 15.593 18.929 ( -0.000 12.057 -6.944) 13.913 20.105 ( -0.000 -0.559 2.598) 2.658 20.154 ( 0.000 1.502 -1.655) 2.235 ======================= Grid point 805 (184/189) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.199 ( -0.000 0.000 32.014) 32.014 3.199 ( -0.000 -0.000 32.014) 32.014 4.332 ( 0.000 0.000 -28.851) 28.851 4.332 ( 0.000 -0.000 -28.851) 28.851 4.618 ( -0.000 0.000 6.835) 6.835 4.927 ( 0.000 -0.000 -5.227) 5.227 6.493 ( -0.000 0.000 43.940) 43.940 8.074 ( 0.000 -0.000 -37.261) 37.261 8.123 ( -0.000 0.000 11.014) 11.014 8.123 ( -0.000 -0.000 11.014) 11.014 8.421 ( 0.000 -0.000 -4.431) 4.431 8.421 ( 0.000 -0.000 -4.431) 4.431 9.939 ( -0.000 0.000 16.780) 16.780 9.939 ( -0.000 -0.000 16.780) 16.780 10.400 ( 0.000 0.000 -5.539) 5.539 10.400 ( 0.000 0.000 -5.539) 5.539 12.441 ( -0.000 0.000 12.259) 12.259 12.441 ( -0.000 0.000 12.259) 12.259 13.032 ( -0.000 0.000 5.764) 5.764 13.066 ( 0.000 0.000 -18.136) 18.136 13.066 ( 0.000 -0.000 -18.136) 18.136 13.299 ( 0.000 -0.000 -7.591) 7.591 16.981 ( -0.000 0.000 9.602) 9.602 17.326 ( 0.000 -0.000 -8.935) 8.935 17.659 ( -0.000 0.000 26.783) 26.783 17.659 ( -0.000 0.000 26.783) 26.783 18.590 ( 0.000 0.000 -22.250) 22.250 18.590 ( 0.000 -0.000 -22.250) 22.250 20.028 ( -0.000 0.000 1.520) 1.520 20.065 ( 0.000 -0.000 -0.504) 0.504 ======================= Grid point 806 (185/189) ======================= q-point: ( 0.50 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.241 ( -4.378 -2.528 28.770) 29.210 3.689 ( 15.637 9.028 31.004) 35.878 3.982 ( -3.923 -2.265 -26.089) 26.479 4.390 ( 9.912 5.723 -28.240) 30.472 4.661 ( -0.370 -0.214 8.031) 8.043 4.910 ( 2.946 1.701 -9.956) 10.521 6.790 ( 1.665 0.961 42.435) 42.479 7.691 ( -24.299 -14.029 10.358) 29.909 7.803 ( -2.421 -1.398 -36.914) 37.020 7.969 ( -18.121 -10.462 -7.058) 22.083 8.606 ( 15.064 8.697 8.129) 19.201 8.757 ( 15.286 8.825 -2.582) 17.838 9.967 ( -1.404 -0.810 12.062) 12.170 10.160 ( 4.776 2.757 18.227) 19.043 10.179 ( -7.900 -4.561 -5.462) 10.632 10.558 ( 10.040 5.797 -9.620) 15.065 12.178 ( -20.803 -12.011 1.771) 24.086 12.407 ( -14.152 -8.170 13.077) 20.929 12.584 ( -12.115 -6.995 -12.161) 18.536 13.052 ( 12.777 7.377 -1.064) 14.792 13.524 ( 17.231 9.948 -3.194) 20.151 13.686 ( 31.093 17.952 -7.862) 36.754 16.820 ( -16.513 -9.534 12.956) 23.053 17.081 ( -16.057 -9.270 -11.502) 21.819 17.638 ( -11.137 -6.430 24.613) 27.770 18.035 ( 8.549 4.936 22.825) 24.868 18.407 ( 2.095 1.209 -21.732) 21.866 18.527 ( 3.082 1.779 -20.407) 20.715 20.067 ( 2.274 1.313 0.345) 2.649 20.074 ( 1.123 0.648 -0.068) 1.299 ======================= Grid point 807 (186/189) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.350 ( -0.635 -0.367 23.158) 23.170 3.858 ( 5.624 3.247 -20.328) 21.340 4.205 ( 12.941 7.471 28.446) 32.132 4.425 ( 7.941 4.585 -23.632) 25.348 4.704 ( -0.744 -0.430 10.458) 10.493 4.942 ( 7.062 4.077 -15.787) 17.768 6.961 ( -11.420 -6.593 23.211) 26.695 7.183 ( -23.764 -13.720 5.103) 27.911 7.527 ( -2.013 -1.162 -35.009) 35.086 7.684 ( -2.847 -1.644 9.929) 10.460 8.821 ( 3.070 1.773 1.296) 3.775 9.080 ( 11.661 6.733 -1.671) 13.568 9.985 ( -3.209 -1.852 3.447) 5.060 10.018 ( -2.538 -1.465 0.427) 2.961 10.355 ( 1.851 1.069 19.599) 19.715 10.733 ( 11.553 6.670 -11.246) 17.449 11.633 ( -22.759 -13.140 -8.210) 27.533 12.197 ( -10.163 -5.868 9.920) 15.367 12.374 ( -4.374 -2.525 -5.223) 7.266 13.376 ( 15.358 8.867 -0.606) 17.744 13.968 ( 21.661 12.506 4.601) 25.432 14.294 ( 26.659 15.391 -4.513) 31.112 16.494 ( -20.033 -11.566 15.994) 28.124 16.506 ( -26.463 -15.278 -18.491) 35.716 17.469 ( -15.467 -8.930 19.943) 26.771 18.127 ( -5.934 -3.426 0.565) 6.875 18.399 ( 6.793 3.922 -16.691) 18.443 18.642 ( 12.212 7.050 0.329) 14.104 20.108 ( 1.353 0.781 -1.296) 2.030 20.111 ( 1.710 0.987 0.982) 2.205 ======================= Grid point 819 (187/189) ======================= q-point: ( 0.50 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.482 ( -0.000 0.418 27.583) 27.586 3.763 ( 0.000 -8.791 -27.334) 28.713 3.839 ( -0.000 14.166 30.714) 33.823 4.251 ( 0.000 16.094 -29.087) 33.242 4.723 ( -0.000 1.119 8.999) 9.068 4.835 ( 0.000 0.360 -9.854) 9.861 7.055 ( -0.000 0.586 42.832) 42.836 7.512 ( 0.000 -10.872 -30.145) 32.045 7.793 ( 0.000 -26.619 1.428) 26.657 7.941 ( 0.000 -13.175 -10.294) 16.719 8.622 ( -0.000 14.591 7.400) 16.360 8.752 ( -0.000 19.166 -2.910) 19.385 10.013 ( -0.000 -5.160 11.485) 12.591 10.159 ( 0.000 -6.179 -7.397) 9.639 10.316 ( -0.000 11.377 15.954) 19.595 10.457 ( 0.000 7.787 -13.230) 15.352 12.129 ( 0.000 -32.085 7.325) 32.911 12.502 ( 0.000 -11.689 -3.385) 12.170 12.575 ( 0.000 -13.951 -1.483) 14.030 13.028 ( -0.000 15.003 -2.011) 15.137 13.499 ( -0.000 26.730 -1.233) 26.758 13.657 ( -0.000 32.567 -4.275) 32.846 16.846 ( 0.000 -24.146 13.804) 27.813 17.044 ( 0.000 -15.463 -11.245) 19.119 17.938 ( -0.000 -4.741 14.071) 14.848 18.066 ( -0.000 0.368 23.204) 23.207 18.146 ( 0.000 -3.939 -15.175) 15.677 18.498 ( 0.000 12.687 -20.853) 24.410 20.071 ( -0.000 1.223 -0.084) 1.226 20.071 ( -0.000 2.449 0.285) 2.466 ======================= Grid point 820 (188/189) ======================= q-point: ( 0.58 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.594 ( 7.187 -3.224 -23.749) 25.022 3.594 ( -6.386 4.612 23.749) 25.022 4.262 ( 3.780 14.380 -27.427) 31.198 4.262 ( 10.564 10.464 27.427) 31.198 4.798 ( 3.015 0.777 -11.764) 12.169 4.798 ( -0.834 3.000 11.764) 12.169 7.198 ( -4.409 -14.791 -22.348) 27.159 7.198 ( -10.605 -11.214 22.348) 27.159 7.596 ( -16.752 -2.071 -16.076) 23.310 7.596 ( 6.582 -15.543 16.076) 23.310 8.910 ( 6.404 10.364 -5.009) 13.172 8.910 ( 5.774 10.728 5.009) 13.172 10.019 ( -3.815 -3.089 -6.105) 7.833 10.019 ( -0.767 -4.848 6.105) 7.833 10.521 ( 9.661 4.844 -15.419) 18.829 10.521 ( -0.636 10.789 15.419) 18.829 11.902 ( -25.052 -12.726 -6.532) 28.848 11.902 ( 1.505 -28.059 6.532) 28.848 12.923 ( 12.654 0.642 -7.725) 14.840 12.923 ( -5.771 11.280 7.725) 14.840 14.018 ( 18.803 24.464 -6.682) 31.570 14.018 ( 11.785 28.516 6.682) 31.570 16.621 ( -19.043 -19.530 -16.222) 31.737 16.621 ( -7.392 -26.257 16.222) 31.737 17.849 ( 7.236 -17.964 -16.896) 25.701 17.849 ( -19.176 -2.715 16.896) 25.701 18.490 ( -0.874 14.262 -16.594) 21.898 18.490 ( 12.788 6.374 16.594) 21.898 20.099 ( 0.537 1.899 -0.886) 2.163 20.099 ( 1.376 1.414 0.886) 2.163 ======================= Grid point 976 (189/189) ======================= 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 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.781 ( 0.000 0.000 -30.519) 30.519 3.781 ( 0.000 0.000 -30.519) 30.519 3.781 ( -0.000 0.000 30.519) 30.519 3.781 ( -0.000 -0.000 30.519) 30.519 4.772 ( 0.000 -0.000 -9.324) 9.324 4.772 ( -0.000 0.000 9.324) 9.324 7.322 ( 0.000 -0.000 -43.382) 43.382 7.322 ( -0.000 0.000 43.382) 43.382 8.302 ( 0.000 -0.000 -8.156) 8.156 8.302 ( -0.000 0.000 8.156) 8.156 8.302 ( 0.000 -0.000 -8.156) 8.156 8.302 ( -0.000 -0.000 8.156) 8.156 10.223 ( 0.000 -0.000 -13.042) 13.042 10.223 ( 0.000 -0.000 -13.042) 13.042 10.223 ( -0.000 0.000 13.042) 13.042 10.223 ( -0.000 -0.000 13.042) 13.042 12.725 ( 0.000 -0.000 -17.669) 17.669 12.725 ( 0.000 -0.000 -17.669) 17.669 12.725 ( -0.000 0.000 17.669) 17.669 12.725 ( -0.000 0.000 17.669) 17.669 13.157 ( 0.000 -0.000 -7.452) 7.452 13.157 ( -0.000 0.000 7.452) 7.452 17.157 ( 0.000 -0.000 -9.297) 9.297 17.157 ( -0.000 0.000 9.297) 9.297 18.146 ( 0.000 0.000 -25.322) 25.322 18.146 ( 0.000 -0.000 -25.322) 25.322 18.146 ( -0.000 0.000 25.322) 25.322 18.146 ( -0.000 0.000 25.322) 25.322 20.051 ( 0.000 -0.000 -0.963) 0.963 20.051 ( -0.000 0.000 0.963) 0.963 =================== 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 3/51840 10.0 3176.482 3176.482 7046.205 0.000 -0.000 -0.000 3/51840 20.0 2591.866 2591.866 3048.949 0.000 -0.000 -0.000 3/51840 30.0 1103.717 1103.717 1297.112 0.000 -0.000 -0.000 3/51840 40.0 537.239 537.239 652.199 0.000 -0.000 -0.000 3/51840 50.0 310.284 310.284 376.905 0.000 -0.000 -0.000 3/51840 60.0 202.579 202.579 243.775 0.000 -0.000 -0.000 3/51840 70.0 143.845 143.845 171.413 0.000 -0.000 -0.000 3/51840 80.0 108.411 108.411 128.160 0.000 -0.000 -0.000 3/51840 90.0 85.376 85.376 100.324 0.000 -0.000 -0.000 3/51840 100.0 69.528 69.528 81.347 0.000 -0.000 -0.000 3/51840 110.0 58.131 58.131 67.807 0.000 -0.000 -0.000 3/51840 120.0 49.642 49.642 57.785 0.000 -0.000 -0.000 3/51840 130.0 43.134 43.134 50.140 0.000 -0.000 -0.000 3/51840 140.0 38.024 38.024 44.159 0.000 -0.000 -0.000 3/51840 150.0 33.930 33.930 39.381 0.000 -0.000 -0.000 3/51840 160.0 30.591 30.591 35.493 0.000 -0.000 -0.000 3/51840 170.0 27.826 27.826 32.279 0.000 -0.000 -0.000 3/51840 180.0 25.506 25.506 29.585 0.000 -0.000 -0.000 3/51840 190.0 23.536 23.536 27.300 0.000 -0.000 -0.000 3/51840 200.0 21.845 21.845 25.340 0.000 -0.000 -0.000 3/51840 210.0 20.380 20.380 23.643 0.000 -0.000 -0.000 3/51840 220.0 19.100 19.100 22.160 0.000 -0.000 -0.000 3/51840 230.0 17.973 17.973 20.855 0.000 -0.000 -0.000 3/51840 240.0 16.973 16.973 19.697 0.000 -0.000 -0.000 3/51840 250.0 16.080 16.080 18.665 0.000 -0.000 -0.000 3/51840 260.0 15.279 15.279 17.737 0.000 -0.000 -0.000 3/51840 270.0 14.556 14.556 16.900 0.000 -0.000 -0.000 3/51840 280.0 13.900 13.900 16.141 0.000 -0.000 -0.000 3/51840 290.0 13.303 13.303 15.450 0.000 -0.000 -0.000 3/51840 300.0 12.756 12.756 14.817 0.000 -0.000 -0.000 3/51840 310.0 12.254 12.254 14.236 0.000 -0.000 -0.000 3/51840 320.0 11.791 11.791 13.701 0.000 -0.000 -0.000 3/51840 330.0 11.364 11.364 13.206 0.000 -0.000 -0.000 3/51840 340.0 10.967 10.967 12.746 0.000 -0.000 -0.000 3/51840 350.0 10.598 10.598 12.319 0.000 -0.000 -0.000 3/51840 360.0 10.254 10.254 11.921 0.000 -0.000 -0.000 3/51840 370.0 9.932 9.932 11.548 0.000 -0.000 -0.000 3/51840 380.0 9.631 9.631 11.199 0.000 -0.000 -0.000 3/51840 390.0 9.348 9.348 10.872 0.000 -0.000 -0.000 3/51840 400.0 9.082 9.082 10.563 0.000 -0.000 -0.000 3/51840 410.0 8.831 8.831 10.273 0.000 -0.000 -0.000 3/51840 420.0 8.594 8.594 9.998 0.000 -0.000 -0.000 3/51840 430.0 8.370 8.370 9.738 0.000 -0.000 -0.000 3/51840 440.0 8.158 8.158 9.492 0.000 -0.000 -0.000 3/51840 450.0 7.957 7.957 9.259 0.000 -0.000 -0.000 3/51840 460.0 7.765 7.765 9.037 0.000 -0.000 -0.000 3/51840 470.0 7.583 7.583 8.825 0.000 -0.000 -0.000 3/51840 480.0 7.410 7.410 8.624 0.000 -0.000 -0.000 3/51840 490.0 7.244 7.244 8.432 0.000 -0.000 -0.000 3/51840 500.0 7.086 7.086 8.249 0.000 -0.000 -0.000 3/51840 510.0 6.935 6.935 8.073 0.000 -0.000 -0.000 3/51840 520.0 6.791 6.791 7.906 0.000 -0.000 -0.000 3/51840 530.0 6.652 6.652 7.745 0.000 -0.000 -0.000 3/51840 540.0 6.519 6.519 7.591 0.000 -0.000 -0.000 3/51840 550.0 6.392 6.392 7.443 0.000 -0.000 -0.000 3/51840 560.0 6.269 6.269 7.301 0.000 -0.000 -0.000 3/51840 570.0 6.152 6.152 7.164 0.000 -0.000 -0.000 3/51840 580.0 6.038 6.038 7.032 0.000 -0.000 -0.000 3/51840 590.0 5.929 5.929 6.906 0.000 -0.000 -0.000 3/51840 600.0 5.824 5.824 6.784 0.000 -0.000 -0.000 3/51840 610.0 5.723 5.723 6.666 0.000 -0.000 -0.000 3/51840 620.0 5.625 5.625 6.552 0.000 -0.000 -0.000 3/51840 630.0 5.531 5.531 6.443 0.000 -0.000 -0.000 3/51840 640.0 5.440 5.440 6.337 0.000 -0.000 -0.000 3/51840 650.0 5.351 5.351 6.234 0.000 -0.000 -0.000 3/51840 660.0 5.266 5.266 6.135 0.000 -0.000 -0.000 3/51840 670.0 5.183 5.183 6.039 0.000 -0.000 -0.000 3/51840 680.0 5.103 5.103 5.946 0.000 -0.000 -0.000 3/51840 690.0 5.026 5.026 5.856 0.000 -0.000 -0.000 3/51840 700.0 4.951 4.951 5.768 0.000 -0.000 -0.000 3/51840 710.0 4.878 4.878 5.684 0.000 -0.000 -0.000 3/51840 720.0 4.807 4.807 5.601 0.000 -0.000 -0.000 3/51840 730.0 4.739 4.739 5.522 0.000 -0.000 -0.000 3/51840 740.0 4.672 4.672 5.444 0.000 -0.000 -0.000 3/51840 750.0 4.607 4.607 5.369 0.000 -0.000 -0.000 3/51840 760.0 4.544 4.544 5.295 0.000 -0.000 -0.000 3/51840 770.0 4.483 4.483 5.224 0.000 -0.000 -0.000 3/51840 780.0 4.423 4.423 5.155 0.000 -0.000 -0.000 3/51840 790.0 4.365 4.365 5.087 0.000 -0.000 -0.000 3/51840 800.0 4.309 4.309 5.021 0.000 -0.000 -0.000 3/51840 810.0 4.254 4.254 4.957 0.000 -0.000 -0.000 3/51840 820.0 4.200 4.200 4.895 0.000 -0.000 -0.000 3/51840 830.0 4.148 4.148 4.834 0.000 -0.000 -0.000 3/51840 840.0 4.097 4.097 4.775 0.000 -0.000 -0.000 3/51840 850.0 4.047 4.047 4.717 0.000 -0.000 -0.000 3/51840 860.0 3.999 3.999 4.661 0.000 -0.000 -0.000 3/51840 870.0 3.951 3.951 4.606 0.000 -0.000 -0.000 3/51840 880.0 3.905 3.905 4.552 0.000 -0.000 -0.000 3/51840 890.0 3.860 3.860 4.499 0.000 -0.000 -0.000 3/51840 900.0 3.816 3.816 4.448 0.000 -0.000 -0.000 3/51840 910.0 3.773 3.773 4.398 0.000 -0.000 -0.000 3/51840 920.0 3.731 3.731 4.349 0.000 -0.000 -0.000 3/51840 930.0 3.689 3.689 4.301 0.000 -0.000 -0.000 3/51840 940.0 3.649 3.649 4.254 0.000 -0.000 -0.000 3/51840 950.0 3.610 3.610 4.208 0.000 -0.000 -0.000 3/51840 960.0 3.571 3.571 4.163 0.000 -0.000 -0.000 3/51840 970.0 3.534 3.534 4.119 0.000 -0.000 -0.000 3/51840 980.0 3.497 3.497 4.076 0.000 -0.000 -0.000 3/51840 990.0 3.461 3.461 4.034 0.000 -0.000 -0.000 3/51840 1000.0 3.425 3.425 3.993 0.000 -0.000 -0.000 3/51840 Thermal conductivity related properties were written into "kappa-m121212.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:48:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|