----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:43:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.387323969963837 1.378322136701464 4.337775356666662 b -2.387323969963832 1.378322136701464 4.337775356666662 c 0.000000000000002 -2.756644273402933 4.337775356666662 Atomic positions (fractional): *1 O 0.25000000000000 0.94419873998229 0.55580126001771 15.999 2 O 0.44419873998229 0.75000000000000 0.05580126001771 15.999 3 O 0.55580126001771 0.25000000000000 0.94419873998229 15.999 4 O 0.94419873998229 0.55580126001771 0.25000000000000 15.999 5 O 0.05580126001771 0.44419873998229 0.75000000000000 15.999 6 O 0.75000000000000 0.05580126001771 0.44419873998229 15.999 *7 Al 0.35208974895209 0.35208974895209 0.35208974895209 26.982 8 Al 0.14791025104791 0.14791025104791 0.14791025104791 26.982 9 Al 0.85208974895209 0.85208974895209 0.85208974895209 26.982 10 Al 0.64791025104791 0.64791025104791 0.64791025104791 26.982 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.774647939927670 0.000000000000000 0.000000000000000 b -2.387323969963835 4.134966410104398 0.000000000000000 c 0.000000000000000 0.000000000000000 13.013326070000000 Atomic positions (fractional): *1 O 0.00000000000000 0.69419873998229 0.25000000000000 15.999 > 1 2 O 0.36086540664896 0.02753207331562 0.08333333333333 15.999 > 2 3 O 0.30580126001771 0.30580126001771 0.25000000000000 15.999 > 3 4 O 0.69419873998229 0.00000000000000 0.25000000000000 15.999 > 4 5 O 0.97246792668438 0.33333333333333 0.08333333333333 15.999 > 5 6 O 0.66666666666667 0.63913459335104 0.08333333333333 15.999 > 6 7 O 0.66666666666667 0.02753207331562 0.58333333333333 15.999 > 1 8 O 0.02753207331562 0.36086540664896 0.41666666666667 15.999 > 2 9 O 0.97246792668438 0.63913459335104 0.58333333333333 15.999 > 3 10 O 0.36086540664896 0.33333333333333 0.58333333333333 15.999 > 4 11 O 0.63913459335104 0.66666666666667 0.41666666666667 15.999 > 5 12 O 0.33333333333333 0.97246792668438 0.41666666666667 15.999 > 6 13 O 0.33333333333333 0.36086540664896 0.91666666666667 15.999 > 1 14 O 0.69419873998229 0.69419873998229 0.75000000000000 15.999 > 2 15 O 0.63913459335104 0.97246792668438 0.91666666666667 15.999 > 3 16 O 0.02753207331562 0.66666666666667 0.91666666666667 15.999 > 4 17 O 0.30580126001771 0.00000000000000 0.75000000000000 15.999 > 5 18 O 0.00000000000000 0.30580126001771 0.75000000000000 15.999 > 6 *19 Al 0.33333333333333 0.66666666666667 0.01875641561876 26.982 > 7 20 Al 0.00000000000000 0.00000000000000 0.14791025104791 26.982 > 8 21 Al 0.66666666666667 0.33333333333333 0.18542308228542 26.982 > 9 22 Al 0.33333333333333 0.66666666666667 0.31457691771458 26.982 > 10 23 Al 0.00000000000000 0.00000000000000 0.35208974895209 26.982 > 7 24 Al 0.66666666666667 0.33333333333333 0.48124358438125 26.982 > 8 25 Al 0.33333333333333 0.66666666666667 0.51875641561875 26.982 > 9 26 Al 0.00000000000000 0.00000000000000 0.64791025104791 26.982 > 10 27 Al 0.66666666666667 0.33333333333333 0.68542308228542 26.982 > 7 28 Al 0.33333333333333 0.66666666666667 0.81457691771458 26.982 > 8 29 Al 0.00000000000000 0.00000000000000 0.85208974895209 26.982 > 9 30 Al 0.66666666666667 0.33333333333333 0.98124358438125 26.982 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.549295879855340 0.000000000000000 0.000000000000000 b -4.774647939927670 8.269932820208796 0.000000000000000 c 0.000000000000000 0.000000000000000 13.013326070000000 Atomic positions (fractional): *1 O 0.00000000000000 0.34709936999115 0.25000000000000 15.999 > 1 2 O 0.50000000000000 0.34709936999115 0.25000000000000 15.999 > 1 3 O 0.00000000000000 0.84709936999115 0.25000000000000 15.999 > 1 4 O 0.50000000000000 0.84709936999115 0.25000000000000 15.999 > 1 5 O 0.18043270332448 0.01376603665781 0.08333333333333 15.999 > 2 6 O 0.68043270332448 0.01376603665781 0.08333333333333 15.999 > 2 7 O 0.18043270332448 0.51376603665781 0.08333333333333 15.999 > 2 8 O 0.68043270332448 0.51376603665781 0.08333333333333 15.999 > 2 9 O 0.15290063000885 0.15290063000885 0.25000000000000 15.999 > 3 10 O 0.65290063000885 0.15290063000885 0.25000000000000 15.999 > 3 11 O 0.15290063000885 0.65290063000885 0.25000000000000 15.999 > 3 12 O 0.65290063000885 0.65290063000885 0.25000000000000 15.999 > 3 13 O 0.34709936999115 0.00000000000000 0.25000000000000 15.999 > 4 14 O 0.84709936999115 0.00000000000000 0.25000000000000 15.999 > 4 15 O 0.34709936999115 0.50000000000000 0.25000000000000 15.999 > 4 16 O 0.84709936999115 0.50000000000000 0.25000000000000 15.999 > 4 17 O 0.48623396334219 0.16666666666667 0.08333333333333 15.999 > 5 18 O 0.98623396334219 0.16666666666667 0.08333333333333 15.999 > 5 19 O 0.48623396334219 0.66666666666667 0.08333333333333 15.999 > 5 20 O 0.98623396334219 0.66666666666667 0.08333333333333 15.999 > 5 21 O 0.33333333333333 0.31956729667552 0.08333333333333 15.999 > 6 22 O 0.83333333333333 0.31956729667552 0.08333333333333 15.999 > 6 23 O 0.33333333333333 0.81956729667552 0.08333333333333 15.999 > 6 24 O 0.83333333333333 0.81956729667552 0.08333333333333 15.999 > 6 25 O 0.33333333333333 0.01376603665781 0.58333333333333 15.999 > 1 26 O 0.83333333333333 0.01376603665781 0.58333333333333 15.999 > 1 27 O 0.33333333333333 0.51376603665781 0.58333333333333 15.999 > 1 28 O 0.83333333333333 0.51376603665781 0.58333333333333 15.999 > 1 29 O 0.01376603665781 0.18043270332448 0.41666666666667 15.999 > 2 30 O 0.51376603665781 0.18043270332448 0.41666666666667 15.999 > 2 31 O 0.01376603665781 0.68043270332448 0.41666666666667 15.999 > 2 32 O 0.51376603665781 0.68043270332448 0.41666666666667 15.999 > 2 33 O 0.48623396334219 0.31956729667552 0.58333333333333 15.999 > 3 34 O 0.98623396334219 0.31956729667552 0.58333333333333 15.999 > 3 35 O 0.48623396334219 0.81956729667552 0.58333333333333 15.999 > 3 36 O 0.98623396334219 0.81956729667552 0.58333333333333 15.999 > 3 37 O 0.18043270332448 0.16666666666667 0.58333333333333 15.999 > 4 38 O 0.68043270332448 0.16666666666667 0.58333333333333 15.999 > 4 39 O 0.18043270332448 0.66666666666667 0.58333333333333 15.999 > 4 40 O 0.68043270332448 0.66666666666667 0.58333333333333 15.999 > 4 41 O 0.31956729667552 0.33333333333333 0.41666666666667 15.999 > 5 42 O 0.81956729667552 0.33333333333333 0.41666666666667 15.999 > 5 43 O 0.31956729667552 0.83333333333333 0.41666666666667 15.999 > 5 44 O 0.81956729667552 0.83333333333333 0.41666666666667 15.999 > 5 45 O 0.16666666666667 0.48623396334219 0.41666666666667 15.999 > 6 46 O 0.66666666666667 0.48623396334219 0.41666666666667 15.999 > 6 47 O 0.16666666666667 0.98623396334219 0.41666666666667 15.999 > 6 48 O 0.66666666666667 0.98623396334219 0.41666666666667 15.999 > 6 49 O 0.16666666666667 0.18043270332448 0.91666666666667 15.999 > 1 50 O 0.66666666666667 0.18043270332448 0.91666666666667 15.999 > 1 51 O 0.16666666666667 0.68043270332448 0.91666666666667 15.999 > 1 52 O 0.66666666666667 0.68043270332448 0.91666666666667 15.999 > 1 53 O 0.34709936999115 0.34709936999115 0.75000000000000 15.999 > 2 54 O 0.84709936999115 0.34709936999115 0.75000000000000 15.999 > 2 55 O 0.34709936999115 0.84709936999115 0.75000000000000 15.999 > 2 56 O 0.84709936999115 0.84709936999115 0.75000000000000 15.999 > 2 57 O 0.31956729667552 0.48623396334219 0.91666666666667 15.999 > 3 58 O 0.81956729667552 0.48623396334219 0.91666666666667 15.999 > 3 59 O 0.31956729667552 0.98623396334219 0.91666666666667 15.999 > 3 60 O 0.81956729667552 0.98623396334219 0.91666666666667 15.999 > 3 61 O 0.01376603665781 0.33333333333333 0.91666666666667 15.999 > 4 62 O 0.51376603665781 0.33333333333333 0.91666666666667 15.999 > 4 63 O 0.01376603665781 0.83333333333333 0.91666666666667 15.999 > 4 64 O 0.51376603665781 0.83333333333333 0.91666666666667 15.999 > 4 65 O 0.15290063000885 0.00000000000000 0.75000000000000 15.999 > 5 66 O 0.65290063000885 0.00000000000000 0.75000000000000 15.999 > 5 67 O 0.15290063000885 0.50000000000000 0.75000000000000 15.999 > 5 68 O 0.65290063000885 0.50000000000000 0.75000000000000 15.999 > 5 69 O 0.00000000000000 0.15290063000885 0.75000000000000 15.999 > 6 70 O 0.50000000000000 0.15290063000885 0.75000000000000 15.999 > 6 71 O 0.00000000000000 0.65290063000885 0.75000000000000 15.999 > 6 72 O 0.50000000000000 0.65290063000885 0.75000000000000 15.999 > 6 *73 Al 0.16666666666667 0.33333333333333 0.01875641561876 26.982 > 7 74 Al 0.66666666666667 0.33333333333333 0.01875641561876 26.982 > 7 75 Al 0.16666666666667 0.83333333333333 0.01875641561876 26.982 > 7 76 Al 0.66666666666667 0.83333333333333 0.01875641561876 26.982 > 7 77 Al 0.00000000000000 0.00000000000000 0.14791025104791 26.982 > 8 78 Al 0.50000000000000 0.00000000000000 0.14791025104791 26.982 > 8 79 Al 0.00000000000000 0.50000000000000 0.14791025104791 26.982 > 8 80 Al 0.50000000000000 0.50000000000000 0.14791025104791 26.982 > 8 81 Al 0.33333333333333 0.16666666666667 0.18542308228542 26.982 > 9 82 Al 0.83333333333333 0.16666666666667 0.18542308228542 26.982 > 9 83 Al 0.33333333333333 0.66666666666667 0.18542308228542 26.982 > 9 84 Al 0.83333333333333 0.66666666666667 0.18542308228542 26.982 > 9 85 Al 0.16666666666667 0.33333333333333 0.31457691771458 26.982 > 10 86 Al 0.66666666666667 0.33333333333333 0.31457691771458 26.982 > 10 87 Al 0.16666666666667 0.83333333333333 0.31457691771458 26.982 > 10 88 Al 0.66666666666667 0.83333333333333 0.31457691771458 26.982 > 10 89 Al 0.00000000000000 0.00000000000000 0.35208974895209 26.982 > 7 90 Al 0.50000000000000 0.00000000000000 0.35208974895209 26.982 > 7 91 Al 0.00000000000000 0.50000000000000 0.35208974895209 26.982 > 7 92 Al 0.50000000000000 0.50000000000000 0.35208974895209 26.982 > 7 93 Al 0.33333333333333 0.16666666666667 0.48124358438125 26.982 > 8 94 Al 0.83333333333333 0.16666666666667 0.48124358438125 26.982 > 8 95 Al 0.33333333333333 0.66666666666667 0.48124358438125 26.982 > 8 96 Al 0.83333333333333 0.66666666666667 0.48124358438125 26.982 > 8 97 Al 0.16666666666667 0.33333333333333 0.51875641561875 26.982 > 9 98 Al 0.66666666666667 0.33333333333333 0.51875641561875 26.982 > 9 99 Al 0.16666666666667 0.83333333333333 0.51875641561875 26.982 > 9 100 Al 0.66666666666667 0.83333333333333 0.51875641561875 26.982 > 9 101 Al 0.00000000000000 0.00000000000000 0.64791025104791 26.982 > 10 102 Al 0.50000000000000 0.00000000000000 0.64791025104791 26.982 > 10 103 Al 0.00000000000000 0.50000000000000 0.64791025104791 26.982 > 10 104 Al 0.50000000000000 0.50000000000000 0.64791025104791 26.982 > 10 105 Al 0.33333333333333 0.16666666666667 0.68542308228542 26.982 > 7 106 Al 0.83333333333333 0.16666666666667 0.68542308228542 26.982 > 7 107 Al 0.33333333333333 0.66666666666667 0.68542308228542 26.982 > 7 108 Al 0.83333333333333 0.66666666666667 0.68542308228542 26.982 > 7 109 Al 0.16666666666667 0.33333333333333 0.81457691771458 26.982 > 8 110 Al 0.66666666666667 0.33333333333333 0.81457691771458 26.982 > 8 111 Al 0.16666666666667 0.83333333333333 0.81457691771458 26.982 > 8 112 Al 0.66666666666667 0.83333333333333 0.81457691771458 26.982 > 8 113 Al 0.00000000000000 0.00000000000000 0.85208974895209 26.982 > 9 114 Al 0.50000000000000 0.00000000000000 0.85208974895209 26.982 > 9 115 Al 0.00000000000000 0.50000000000000 0.85208974895209 26.982 > 9 116 Al 0.50000000000000 0.50000000000000 0.85208974895209 26.982 > 9 117 Al 0.33333333333333 0.16666666666667 0.98124358438125 26.982 > 10 118 Al 0.83333333333333 0.16666666666667 0.98124358438125 26.982 > 10 119 Al 0.33333333333333 0.66666666666667 0.98124358438125 26.982 > 10 120 Al 0.83333333333333 0.66666666666667 0.98124358438125 26.982 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2770174 -0.0000000 0.0000000 -0.0000000 3.2770174 0.0000000 0.0000000 0.0000000 3.2376371 -------------------------- Born effective charges -------------------------- 1 O -1.9235730 0.0865187 -0.2237033 0.0865187 -2.0234762 -0.1291552 -0.3046883 -0.1759119 -1.9532570 2 O -1.9235730 -0.0865187 0.2237033 -0.0865187 -2.0234762 -0.1291552 0.3046883 -0.1759119 -1.9532570 3 O -1.9235730 -0.0865187 0.2237033 -0.0865187 -2.0234762 -0.1291552 0.3046883 -0.1759119 -1.9532570 4 O -2.0734278 0.0000000 0.0000000 0.0000000 -1.8736215 0.2583104 -0.0000000 0.3518237 -1.9532570 5 O -2.0734278 0.0000000 0.0000000 0.0000000 -1.8736215 0.2583104 -0.0000000 0.3518237 -1.9532570 6 O -1.9235730 0.0865187 -0.2237033 0.0865187 -2.0234762 -0.1291552 -0.3046883 -0.1759119 -1.9532570 7 Al 2.9602869 0.0294970 0.0000000 -0.0294970 2.9602869 -0.0000000 -0.0000000 -0.0000000 2.9298855 8 Al 2.9602869 -0.0294970 0.0000000 0.0294970 2.9602869 -0.0000000 -0.0000000 -0.0000000 2.9298855 9 Al 2.9602869 -0.0294970 0.0000000 0.0294970 2.9602869 -0.0000000 -0.0000000 -0.0000000 2.9298855 10 Al 2.9602869 0.0294970 0.0000000 -0.0294970 2.9602869 -0.0000000 -0.0000000 -0.0000000 2.9298855 ---------------------------------------------------------------------------- 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): 0.012 Solver_block: 100 / 160 - Time: 0.454 Solver_block: 160 / 160 - Time: 0.300 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.770 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) 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 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 18:43:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:43:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.387323969963837 1.378322136701464 4.337775356666662 b -2.387323969963832 1.378322136701464 4.337775356666662 c 0.000000000000002 -2.756644273402933 4.337775356666662 Atomic positions (fractional): 1 O 0.25000000000000 0.94419873998229 0.55580126001771 15.999 2 O 0.44419873998229 0.75000000000000 0.05580126001771 15.999 3 O 0.55580126001771 0.25000000000000 0.94419873998229 15.999 4 O 0.94419873998229 0.55580126001771 0.25000000000000 15.999 5 O 0.05580126001771 0.44419873998229 0.75000000000000 15.999 6 O 0.75000000000000 0.05580126001771 0.44419873998229 15.999 7 Al 0.35208974895209 0.35208974895209 0.35208974895209 26.982 8 Al 0.14791025104791 0.14791025104791 0.14791025104791 26.982 9 Al 0.85208974895209 0.85208974895209 0.85208974895209 26.982 10 Al 0.64791025104791 0.64791025104791 0.64791025104791 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.549295879855340 0.000000000000000 0.000000000000000 b -4.774647939927670 8.269932820208796 0.000000000000000 c 0.000000000000000 0.000000000000000 13.013326070000000 Atomic positions (fractional): 1 O 0.00000000000000 0.34709936999115 0.25000000000000 15.999 > 1 2 O 0.50000000000000 0.34709936999115 0.25000000000000 15.999 > 1 3 O 0.00000000000000 0.84709936999115 0.25000000000000 15.999 > 1 4 O 0.50000000000000 0.84709936999115 0.25000000000000 15.999 > 1 5 O 0.18043270332448 0.01376603665781 0.08333333333333 15.999 > 5 6 O 0.68043270332448 0.01376603665781 0.08333333333333 15.999 > 5 7 O 0.18043270332448 0.51376603665781 0.08333333333333 15.999 > 5 8 O 0.68043270332448 0.51376603665781 0.08333333333333 15.999 > 5 9 O 0.15290063000885 0.15290063000885 0.25000000000000 15.999 > 9 10 O 0.65290063000885 0.15290063000885 0.25000000000000 15.999 > 9 11 O 0.15290063000885 0.65290063000885 0.25000000000000 15.999 > 9 12 O 0.65290063000885 0.65290063000885 0.25000000000000 15.999 > 9 13 O 0.34709936999115 0.00000000000000 0.25000000000000 15.999 > 13 14 O 0.84709936999115 0.00000000000000 0.25000000000000 15.999 > 13 15 O 0.34709936999115 0.50000000000000 0.25000000000000 15.999 > 13 16 O 0.84709936999115 0.50000000000000 0.25000000000000 15.999 > 13 17 O 0.48623396334219 0.16666666666667 0.08333333333333 15.999 > 17 18 O 0.98623396334219 0.16666666666667 0.08333333333333 15.999 > 17 19 O 0.48623396334219 0.66666666666667 0.08333333333333 15.999 > 17 20 O 0.98623396334219 0.66666666666667 0.08333333333333 15.999 > 17 21 O 0.33333333333333 0.31956729667552 0.08333333333333 15.999 > 21 22 O 0.83333333333333 0.31956729667552 0.08333333333333 15.999 > 21 23 O 0.33333333333333 0.81956729667552 0.08333333333333 15.999 > 21 24 O 0.83333333333333 0.81956729667552 0.08333333333333 15.999 > 21 25 O 0.33333333333333 0.01376603665781 0.58333333333333 15.999 > 1 26 O 0.83333333333333 0.01376603665781 0.58333333333333 15.999 > 1 27 O 0.33333333333333 0.51376603665781 0.58333333333333 15.999 > 1 28 O 0.83333333333333 0.51376603665781 0.58333333333333 15.999 > 1 29 O 0.01376603665781 0.18043270332448 0.41666666666667 15.999 > 5 30 O 0.51376603665781 0.18043270332448 0.41666666666667 15.999 > 5 31 O 0.01376603665781 0.68043270332448 0.41666666666667 15.999 > 5 32 O 0.51376603665781 0.68043270332448 0.41666666666667 15.999 > 5 33 O 0.48623396334219 0.31956729667552 0.58333333333333 15.999 > 9 34 O 0.98623396334219 0.31956729667552 0.58333333333333 15.999 > 9 35 O 0.48623396334219 0.81956729667552 0.58333333333333 15.999 > 9 36 O 0.98623396334219 0.81956729667552 0.58333333333333 15.999 > 9 37 O 0.18043270332448 0.16666666666667 0.58333333333333 15.999 > 13 38 O 0.68043270332448 0.16666666666667 0.58333333333333 15.999 > 13 39 O 0.18043270332448 0.66666666666667 0.58333333333333 15.999 > 13 40 O 0.68043270332448 0.66666666666667 0.58333333333333 15.999 > 13 41 O 0.31956729667552 0.33333333333333 0.41666666666667 15.999 > 17 42 O 0.81956729667552 0.33333333333333 0.41666666666667 15.999 > 17 43 O 0.31956729667552 0.83333333333333 0.41666666666667 15.999 > 17 44 O 0.81956729667552 0.83333333333333 0.41666666666667 15.999 > 17 45 O 0.16666666666667 0.48623396334219 0.41666666666667 15.999 > 21 46 O 0.66666666666667 0.48623396334219 0.41666666666667 15.999 > 21 47 O 0.16666666666667 0.98623396334219 0.41666666666667 15.999 > 21 48 O 0.66666666666667 0.98623396334219 0.41666666666667 15.999 > 21 49 O 0.16666666666667 0.18043270332448 0.91666666666667 15.999 > 1 50 O 0.66666666666667 0.18043270332448 0.91666666666667 15.999 > 1 51 O 0.16666666666667 0.68043270332448 0.91666666666667 15.999 > 1 52 O 0.66666666666667 0.68043270332448 0.91666666666667 15.999 > 1 53 O 0.34709936999115 0.34709936999115 0.75000000000000 15.999 > 5 54 O 0.84709936999115 0.34709936999115 0.75000000000000 15.999 > 5 55 O 0.34709936999115 0.84709936999115 0.75000000000000 15.999 > 5 56 O 0.84709936999115 0.84709936999115 0.75000000000000 15.999 > 5 57 O 0.31956729667552 0.48623396334219 0.91666666666667 15.999 > 9 58 O 0.81956729667552 0.48623396334219 0.91666666666667 15.999 > 9 59 O 0.31956729667552 0.98623396334219 0.91666666666667 15.999 > 9 60 O 0.81956729667552 0.98623396334219 0.91666666666667 15.999 > 9 61 O 0.01376603665781 0.33333333333333 0.91666666666667 15.999 > 13 62 O 0.51376603665781 0.33333333333333 0.91666666666667 15.999 > 13 63 O 0.01376603665781 0.83333333333333 0.91666666666667 15.999 > 13 64 O 0.51376603665781 0.83333333333333 0.91666666666667 15.999 > 13 65 O 0.15290063000885 0.00000000000000 0.75000000000000 15.999 > 17 66 O 0.65290063000885 0.00000000000000 0.75000000000000 15.999 > 17 67 O 0.15290063000885 0.50000000000000 0.75000000000000 15.999 > 17 68 O 0.65290063000885 0.50000000000000 0.75000000000000 15.999 > 17 69 O 0.00000000000000 0.15290063000885 0.75000000000000 15.999 > 21 70 O 0.50000000000000 0.15290063000885 0.75000000000000 15.999 > 21 71 O 0.00000000000000 0.65290063000885 0.75000000000000 15.999 > 21 72 O 0.50000000000000 0.65290063000885 0.75000000000000 15.999 > 21 73 Al 0.16666666666667 0.33333333333333 0.01875641561876 26.982 > 73 74 Al 0.66666666666667 0.33333333333333 0.01875641561876 26.982 > 73 75 Al 0.16666666666667 0.83333333333333 0.01875641561876 26.982 > 73 76 Al 0.66666666666667 0.83333333333333 0.01875641561876 26.982 > 73 77 Al 0.00000000000000 0.00000000000000 0.14791025104791 26.982 > 77 78 Al 0.50000000000000 0.00000000000000 0.14791025104791 26.982 > 77 79 Al 0.00000000000000 0.50000000000000 0.14791025104791 26.982 > 77 80 Al 0.50000000000000 0.50000000000000 0.14791025104791 26.982 > 77 81 Al 0.33333333333333 0.16666666666667 0.18542308228542 26.982 > 81 82 Al 0.83333333333333 0.16666666666667 0.18542308228542 26.982 > 81 83 Al 0.33333333333333 0.66666666666667 0.18542308228542 26.982 > 81 84 Al 0.83333333333333 0.66666666666667 0.18542308228542 26.982 > 81 85 Al 0.16666666666667 0.33333333333333 0.31457691771458 26.982 > 85 86 Al 0.66666666666667 0.33333333333333 0.31457691771458 26.982 > 85 87 Al 0.16666666666667 0.83333333333333 0.31457691771458 26.982 > 85 88 Al 0.66666666666667 0.83333333333333 0.31457691771458 26.982 > 85 89 Al 0.00000000000000 0.00000000000000 0.35208974895209 26.982 > 73 90 Al 0.50000000000000 0.00000000000000 0.35208974895209 26.982 > 73 91 Al 0.00000000000000 0.50000000000000 0.35208974895209 26.982 > 73 92 Al 0.50000000000000 0.50000000000000 0.35208974895209 26.982 > 73 93 Al 0.33333333333333 0.16666666666667 0.48124358438125 26.982 > 77 94 Al 0.83333333333333 0.16666666666667 0.48124358438125 26.982 > 77 95 Al 0.33333333333333 0.66666666666667 0.48124358438125 26.982 > 77 96 Al 0.83333333333333 0.66666666666667 0.48124358438125 26.982 > 77 97 Al 0.16666666666667 0.33333333333333 0.51875641561875 26.982 > 81 98 Al 0.66666666666667 0.33333333333333 0.51875641561875 26.982 > 81 99 Al 0.16666666666667 0.83333333333333 0.51875641561875 26.982 > 81 100 Al 0.66666666666667 0.83333333333333 0.51875641561875 26.982 > 81 101 Al 0.00000000000000 0.00000000000000 0.64791025104791 26.982 > 85 102 Al 0.50000000000000 0.00000000000000 0.64791025104791 26.982 > 85 103 Al 0.00000000000000 0.50000000000000 0.64791025104791 26.982 > 85 104 Al 0.50000000000000 0.50000000000000 0.64791025104791 26.982 > 85 105 Al 0.33333333333333 0.16666666666667 0.68542308228542 26.982 > 73 106 Al 0.83333333333333 0.16666666666667 0.68542308228542 26.982 > 73 107 Al 0.33333333333333 0.66666666666667 0.68542308228542 26.982 > 73 108 Al 0.83333333333333 0.66666666666667 0.68542308228542 26.982 > 73 109 Al 0.16666666666667 0.33333333333333 0.81457691771458 26.982 > 77 110 Al 0.66666666666667 0.33333333333333 0.81457691771458 26.982 > 77 111 Al 0.16666666666667 0.83333333333333 0.81457691771458 26.982 > 77 112 Al 0.66666666666667 0.83333333333333 0.81457691771458 26.982 > 77 113 Al 0.00000000000000 0.00000000000000 0.85208974895209 26.982 > 81 114 Al 0.50000000000000 0.00000000000000 0.85208974895209 26.982 > 81 115 Al 0.00000000000000 0.50000000000000 0.85208974895209 26.982 > 81 116 Al 0.50000000000000 0.50000000000000 0.85208974895209 26.982 > 81 117 Al 0.33333333333333 0.16666666666667 0.98124358438125 26.982 > 85 118 Al 0.83333333333333 0.16666666666667 0.98124358438125 26.982 > 85 119 Al 0.33333333333333 0.66666666666667 0.98124358438125 26.982 > 85 120 Al 0.83333333333333 0.66666666666667 0.98124358438125 26.982 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2770174 -0.0000000 0.0000000 -0.0000000 3.2770174 0.0000000 0.0000000 0.0000000 3.2376371 -------------------------- Born effective charges -------------------------- 1 O -1.9235730 0.0865187 -0.2237033 0.0865187 -2.0234762 -0.1291552 -0.3046883 -0.1759119 -1.9532570 2 O -1.9235730 -0.0865187 0.2237033 -0.0865187 -2.0234762 -0.1291552 0.3046883 -0.1759119 -1.9532570 3 O -1.9235730 -0.0865187 0.2237033 -0.0865187 -2.0234762 -0.1291552 0.3046883 -0.1759119 -1.9532570 4 O -2.0734278 0.0000000 0.0000000 0.0000000 -1.8736215 0.2583104 -0.0000000 0.3518237 -1.9532570 5 O -2.0734278 0.0000000 0.0000000 0.0000000 -1.8736215 0.2583104 -0.0000000 0.3518237 -1.9532570 6 O -1.9235730 0.0865187 -0.2237033 0.0865187 -2.0234762 -0.1291552 -0.3046883 -0.1759119 -1.9532570 7 Al 2.9602869 0.0294970 0.0000000 -0.0294970 2.9602869 -0.0000000 -0.0000000 -0.0000000 2.9298855 8 Al 2.9602869 -0.0294970 0.0000000 0.0294970 2.9602869 -0.0000000 -0.0000000 -0.0000000 2.9298855 9 Al 2.9602869 -0.0294970 0.0000000 0.0294970 2.9602869 -0.0000000 -0.0000000 -0.0000000 2.9298855 10 Al 2.9602869 0.0294970 0.0000000 -0.0294970 2.9602869 -0.0000000 -0.0000000 -0.0000000 2.9298855 ---------------------------------------------------------------------------- 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 (yxy) 0.00000002 (yxy) 0.00000002 (yyx) 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 18:44:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:44:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.387323969963837 1.378322136701464 4.337775356666662 b -2.387323969963832 1.378322136701464 4.337775356666662 c 0.000000000000002 -2.756644273402933 4.337775356666662 Atomic positions (fractional): 1 O 0.25000000000000 0.94419873998229 0.55580126001771 15.999 2 O 0.44419873998229 0.75000000000000 0.05580126001771 15.999 3 O 0.55580126001771 0.25000000000000 0.94419873998229 15.999 4 O 0.94419873998229 0.55580126001771 0.25000000000000 15.999 5 O 0.05580126001771 0.44419873998229 0.75000000000000 15.999 6 O 0.75000000000000 0.05580126001771 0.44419873998229 15.999 7 Al 0.35208974895209 0.35208974895209 0.35208974895209 26.982 8 Al 0.14791025104791 0.14791025104791 0.14791025104791 26.982 9 Al 0.85208974895209 0.85208974895209 0.85208974895209 26.982 10 Al 0.64791025104791 0.64791025104791 0.64791025104791 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.549295879855340 0.000000000000000 0.000000000000000 b -4.774647939927670 8.269932820208796 0.000000000000000 c 0.000000000000000 0.000000000000000 13.013326070000000 Atomic positions (fractional): 1 O 0.00000000000000 0.34709936999115 0.25000000000000 15.999 > 1 2 O 0.50000000000000 0.34709936999115 0.25000000000000 15.999 > 1 3 O 0.00000000000000 0.84709936999115 0.25000000000000 15.999 > 1 4 O 0.50000000000000 0.84709936999115 0.25000000000000 15.999 > 1 5 O 0.18043270332448 0.01376603665781 0.08333333333333 15.999 > 5 6 O 0.68043270332448 0.01376603665781 0.08333333333333 15.999 > 5 7 O 0.18043270332448 0.51376603665781 0.08333333333333 15.999 > 5 8 O 0.68043270332448 0.51376603665781 0.08333333333333 15.999 > 5 9 O 0.15290063000885 0.15290063000885 0.25000000000000 15.999 > 9 10 O 0.65290063000885 0.15290063000885 0.25000000000000 15.999 > 9 11 O 0.15290063000885 0.65290063000885 0.25000000000000 15.999 > 9 12 O 0.65290063000885 0.65290063000885 0.25000000000000 15.999 > 9 13 O 0.34709936999115 0.00000000000000 0.25000000000000 15.999 > 13 14 O 0.84709936999115 0.00000000000000 0.25000000000000 15.999 > 13 15 O 0.34709936999115 0.50000000000000 0.25000000000000 15.999 > 13 16 O 0.84709936999115 0.50000000000000 0.25000000000000 15.999 > 13 17 O 0.48623396334219 0.16666666666667 0.08333333333333 15.999 > 17 18 O 0.98623396334219 0.16666666666667 0.08333333333333 15.999 > 17 19 O 0.48623396334219 0.66666666666667 0.08333333333333 15.999 > 17 20 O 0.98623396334219 0.66666666666667 0.08333333333333 15.999 > 17 21 O 0.33333333333333 0.31956729667552 0.08333333333333 15.999 > 21 22 O 0.83333333333333 0.31956729667552 0.08333333333333 15.999 > 21 23 O 0.33333333333333 0.81956729667552 0.08333333333333 15.999 > 21 24 O 0.83333333333333 0.81956729667552 0.08333333333333 15.999 > 21 25 O 0.33333333333333 0.01376603665781 0.58333333333333 15.999 > 1 26 O 0.83333333333333 0.01376603665781 0.58333333333333 15.999 > 1 27 O 0.33333333333333 0.51376603665781 0.58333333333333 15.999 > 1 28 O 0.83333333333333 0.51376603665781 0.58333333333333 15.999 > 1 29 O 0.01376603665781 0.18043270332448 0.41666666666667 15.999 > 5 30 O 0.51376603665781 0.18043270332448 0.41666666666667 15.999 > 5 31 O 0.01376603665781 0.68043270332448 0.41666666666667 15.999 > 5 32 O 0.51376603665781 0.68043270332448 0.41666666666667 15.999 > 5 33 O 0.48623396334219 0.31956729667552 0.58333333333333 15.999 > 9 34 O 0.98623396334219 0.31956729667552 0.58333333333333 15.999 > 9 35 O 0.48623396334219 0.81956729667552 0.58333333333333 15.999 > 9 36 O 0.98623396334219 0.81956729667552 0.58333333333333 15.999 > 9 37 O 0.18043270332448 0.16666666666667 0.58333333333333 15.999 > 13 38 O 0.68043270332448 0.16666666666667 0.58333333333333 15.999 > 13 39 O 0.18043270332448 0.66666666666667 0.58333333333333 15.999 > 13 40 O 0.68043270332448 0.66666666666667 0.58333333333333 15.999 > 13 41 O 0.31956729667552 0.33333333333333 0.41666666666667 15.999 > 17 42 O 0.81956729667552 0.33333333333333 0.41666666666667 15.999 > 17 43 O 0.31956729667552 0.83333333333333 0.41666666666667 15.999 > 17 44 O 0.81956729667552 0.83333333333333 0.41666666666667 15.999 > 17 45 O 0.16666666666667 0.48623396334219 0.41666666666667 15.999 > 21 46 O 0.66666666666667 0.48623396334219 0.41666666666667 15.999 > 21 47 O 0.16666666666667 0.98623396334219 0.41666666666667 15.999 > 21 48 O 0.66666666666667 0.98623396334219 0.41666666666667 15.999 > 21 49 O 0.16666666666667 0.18043270332448 0.91666666666667 15.999 > 1 50 O 0.66666666666667 0.18043270332448 0.91666666666667 15.999 > 1 51 O 0.16666666666667 0.68043270332448 0.91666666666667 15.999 > 1 52 O 0.66666666666667 0.68043270332448 0.91666666666667 15.999 > 1 53 O 0.34709936999115 0.34709936999115 0.75000000000000 15.999 > 5 54 O 0.84709936999115 0.34709936999115 0.75000000000000 15.999 > 5 55 O 0.34709936999115 0.84709936999115 0.75000000000000 15.999 > 5 56 O 0.84709936999115 0.84709936999115 0.75000000000000 15.999 > 5 57 O 0.31956729667552 0.48623396334219 0.91666666666667 15.999 > 9 58 O 0.81956729667552 0.48623396334219 0.91666666666667 15.999 > 9 59 O 0.31956729667552 0.98623396334219 0.91666666666667 15.999 > 9 60 O 0.81956729667552 0.98623396334219 0.91666666666667 15.999 > 9 61 O 0.01376603665781 0.33333333333333 0.91666666666667 15.999 > 13 62 O 0.51376603665781 0.33333333333333 0.91666666666667 15.999 > 13 63 O 0.01376603665781 0.83333333333333 0.91666666666667 15.999 > 13 64 O 0.51376603665781 0.83333333333333 0.91666666666667 15.999 > 13 65 O 0.15290063000885 0.00000000000000 0.75000000000000 15.999 > 17 66 O 0.65290063000885 0.00000000000000 0.75000000000000 15.999 > 17 67 O 0.15290063000885 0.50000000000000 0.75000000000000 15.999 > 17 68 O 0.65290063000885 0.50000000000000 0.75000000000000 15.999 > 17 69 O 0.00000000000000 0.15290063000885 0.75000000000000 15.999 > 21 70 O 0.50000000000000 0.15290063000885 0.75000000000000 15.999 > 21 71 O 0.00000000000000 0.65290063000885 0.75000000000000 15.999 > 21 72 O 0.50000000000000 0.65290063000885 0.75000000000000 15.999 > 21 73 Al 0.16666666666667 0.33333333333333 0.01875641561876 26.982 > 73 74 Al 0.66666666666667 0.33333333333333 0.01875641561876 26.982 > 73 75 Al 0.16666666666667 0.83333333333333 0.01875641561876 26.982 > 73 76 Al 0.66666666666667 0.83333333333333 0.01875641561876 26.982 > 73 77 Al 0.00000000000000 0.00000000000000 0.14791025104791 26.982 > 77 78 Al 0.50000000000000 0.00000000000000 0.14791025104791 26.982 > 77 79 Al 0.00000000000000 0.50000000000000 0.14791025104791 26.982 > 77 80 Al 0.50000000000000 0.50000000000000 0.14791025104791 26.982 > 77 81 Al 0.33333333333333 0.16666666666667 0.18542308228542 26.982 > 81 82 Al 0.83333333333333 0.16666666666667 0.18542308228542 26.982 > 81 83 Al 0.33333333333333 0.66666666666667 0.18542308228542 26.982 > 81 84 Al 0.83333333333333 0.66666666666667 0.18542308228542 26.982 > 81 85 Al 0.16666666666667 0.33333333333333 0.31457691771458 26.982 > 85 86 Al 0.66666666666667 0.33333333333333 0.31457691771458 26.982 > 85 87 Al 0.16666666666667 0.83333333333333 0.31457691771458 26.982 > 85 88 Al 0.66666666666667 0.83333333333333 0.31457691771458 26.982 > 85 89 Al 0.00000000000000 0.00000000000000 0.35208974895209 26.982 > 73 90 Al 0.50000000000000 0.00000000000000 0.35208974895209 26.982 > 73 91 Al 0.00000000000000 0.50000000000000 0.35208974895209 26.982 > 73 92 Al 0.50000000000000 0.50000000000000 0.35208974895209 26.982 > 73 93 Al 0.33333333333333 0.16666666666667 0.48124358438125 26.982 > 77 94 Al 0.83333333333333 0.16666666666667 0.48124358438125 26.982 > 77 95 Al 0.33333333333333 0.66666666666667 0.48124358438125 26.982 > 77 96 Al 0.83333333333333 0.66666666666667 0.48124358438125 26.982 > 77 97 Al 0.16666666666667 0.33333333333333 0.51875641561875 26.982 > 81 98 Al 0.66666666666667 0.33333333333333 0.51875641561875 26.982 > 81 99 Al 0.16666666666667 0.83333333333333 0.51875641561875 26.982 > 81 100 Al 0.66666666666667 0.83333333333333 0.51875641561875 26.982 > 81 101 Al 0.00000000000000 0.00000000000000 0.64791025104791 26.982 > 85 102 Al 0.50000000000000 0.00000000000000 0.64791025104791 26.982 > 85 103 Al 0.00000000000000 0.50000000000000 0.64791025104791 26.982 > 85 104 Al 0.50000000000000 0.50000000000000 0.64791025104791 26.982 > 85 105 Al 0.33333333333333 0.16666666666667 0.68542308228542 26.982 > 73 106 Al 0.83333333333333 0.16666666666667 0.68542308228542 26.982 > 73 107 Al 0.33333333333333 0.66666666666667 0.68542308228542 26.982 > 73 108 Al 0.83333333333333 0.66666666666667 0.68542308228542 26.982 > 73 109 Al 0.16666666666667 0.33333333333333 0.81457691771458 26.982 > 77 110 Al 0.66666666666667 0.33333333333333 0.81457691771458 26.982 > 77 111 Al 0.16666666666667 0.83333333333333 0.81457691771458 26.982 > 77 112 Al 0.66666666666667 0.83333333333333 0.81457691771458 26.982 > 77 113 Al 0.00000000000000 0.00000000000000 0.85208974895209 26.982 > 81 114 Al 0.50000000000000 0.00000000000000 0.85208974895209 26.982 > 81 115 Al 0.00000000000000 0.50000000000000 0.85208974895209 26.982 > 81 116 Al 0.50000000000000 0.50000000000000 0.85208974895209 26.982 > 81 117 Al 0.33333333333333 0.16666666666667 0.98124358438125 26.982 > 85 118 Al 0.83333333333333 0.16666666666667 0.98124358438125 26.982 > 85 119 Al 0.33333333333333 0.66666666666667 0.98124358438125 26.982 > 85 120 Al 0.83333333333333 0.66666666666667 0.98124358438125 26.982 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2770174 -0.0000000 0.0000000 -0.0000000 3.2770174 0.0000000 0.0000000 0.0000000 3.2376371 -------------------------- Born effective charges -------------------------- 1 O -1.9235730 0.0865187 -0.2237033 0.0865187 -2.0234762 -0.1291552 -0.3046883 -0.1759119 -1.9532570 2 O -1.9235730 -0.0865187 0.2237033 -0.0865187 -2.0234762 -0.1291552 0.3046883 -0.1759119 -1.9532570 3 O -1.9235730 -0.0865187 0.2237033 -0.0865187 -2.0234762 -0.1291552 0.3046883 -0.1759119 -1.9532570 4 O -2.0734278 0.0000000 0.0000000 0.0000000 -1.8736215 0.2583104 -0.0000000 0.3518237 -1.9532570 5 O -2.0734278 0.0000000 0.0000000 0.0000000 -1.8736215 0.2583104 -0.0000000 0.3518237 -1.9532570 6 O -1.9235730 0.0865187 -0.2237033 0.0865187 -2.0234762 -0.1291552 -0.3046883 -0.1759119 -1.9532570 7 Al 2.9602869 0.0294970 0.0000000 -0.0294970 2.9602869 -0.0000000 -0.0000000 -0.0000000 2.9298855 8 Al 2.9602869 -0.0294970 0.0000000 0.0294970 2.9602869 -0.0000000 -0.0000000 -0.0000000 2.9298855 9 Al 2.9602869 -0.0294970 0.0000000 0.0294970 2.9602869 -0.0000000 -0.0000000 -0.0000000 2.9298855 10 Al 2.9602869 0.0294970 0.0000000 -0.0294970 2.9602869 -0.0000000 -0.0000000 -0.0000000 2.9298855 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yxy) 0.00000002 (yxy) 0.00000002 (yyx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 13 13 ] 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: 0.94, Number of G-points: 297, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/231) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 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 9.003 ( 0.000 0.000 0.000) 0.000 10.934 ( 0.000 0.000 0.000) 0.000 10.934 ( 0.000 0.000 0.000) 0.000 11.332 ( 0.000 0.000 0.000) 0.000 11.332 ( 0.000 0.000 0.000) 0.000 11.542 ( 0.000 0.000 0.000) 0.000 12.228 ( 0.000 0.000 0.000) 0.000 12.683 ( 0.000 0.000 0.000) 0.000 12.683 ( 0.000 0.000 0.000) 0.000 12.818 ( 0.000 0.000 0.000) 0.000 12.818 ( 0.000 0.000 0.000) 0.000 13.052 ( 0.000 0.000 0.000) 0.000 13.052 ( 0.000 0.000 0.000) 0.000 15.466 ( 0.000 0.000 0.000) 0.000 16.815 ( 0.000 0.000 0.000) 0.000 16.815 ( 0.000 0.000 0.000) 0.000 16.890 ( 0.000 0.000 0.000) 0.000 16.890 ( 0.000 0.000 0.000) 0.000 17.165 ( 0.000 0.000 0.000) 0.000 17.664 ( 0.000 0.000 0.000) 0.000 18.520 ( 0.000 0.000 0.000) 0.000 18.520 ( 0.000 0.000 0.000) 0.000 18.826 ( 0.000 0.000 0.000) 0.000 20.259 ( 0.000 0.000 0.000) 0.000 21.995 ( 0.000 0.000 0.000) 0.000 22.014 ( 0.000 0.000 0.000) 0.000 22.014 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/231) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 46.418 26.800 26.094) 59.614 1.231 ( 54.130 31.252 10.296) 63.346 2.129 ( 89.667 51.769 31.861) 108.330 8.911 ( -8.402 -4.851 -0.198) 9.704 10.801 ( -6.223 -3.593 -21.588) 22.753 10.904 ( 0.021 0.012 -12.277) 12.277 11.105 ( -16.453 -9.499 -3.916) 19.398 11.249 ( -15.648 -9.034 26.787) 32.311 11.649 ( -16.742 -9.666 42.950) 47.101 12.343 ( 2.060 1.189 4.618) 5.195 12.537 ( -0.576 -0.332 -17.011) 17.024 12.778 ( 14.804 8.547 -15.660) 23.183 13.027 ( 1.062 0.613 -3.604) 3.807 13.111 ( 9.030 5.214 14.961) 18.236 13.262 ( 16.333 9.430 20.316) 27.720 14.102 ( 2.057 1.187 21.541) 21.672 15.391 ( -5.604 -3.236 -3.762) 7.485 16.681 ( -12.264 -7.081 1.660) 14.259 16.826 ( -5.114 -2.953 -2.202) 6.303 16.908 ( 2.407 1.389 -3.533) 4.495 17.190 ( 6.579 3.799 -9.821) 12.416 17.564 ( -8.798 -5.079 -1.417) 10.257 18.111 ( -18.517 -10.691 3.607) 21.684 18.555 ( 2.059 1.189 2.497) 3.447 19.065 ( 14.810 8.551 1.154) 17.141 20.283 ( 2.996 1.730 -4.571) 5.733 22.002 ( -0.900 -0.520 6.452) 6.536 22.013 ( -0.222 -0.128 0.500) 0.562 22.019 ( 1.461 0.844 -2.810) 3.278 26.212 ( 1.770 1.022 -22.750) 22.841 ======================= Grid point 2 (3/231) ======================= q-point: ( 0.15 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 45.628 26.343 24.733) 58.203 2.440 ( 52.773 30.469 9.584) 61.686 4.213 ( 86.798 50.113 30.534) 104.774 8.657 ( -14.355 -8.288 -0.562) 16.586 10.454 ( -15.018 -8.671 -14.251) 22.446 10.595 ( -16.150 -9.324 -25.587) 31.661 10.894 ( -4.684 -2.704 6.786) 8.677 11.071 ( -15.452 -8.921 22.896) 29.027 11.464 ( -16.929 -9.774 15.768) 25.115 12.301 ( -5.562 -3.211 7.034) 9.524 12.464 ( 2.918 1.685 -18.090) 18.401 13.048 ( 11.261 6.501 -9.629) 16.180 13.157 ( 16.726 9.657 -9.234) 21.408 13.413 ( 9.473 5.469 22.589) 25.098 13.793 ( 19.188 11.078 16.044) 27.355 14.340 ( 8.711 5.029 20.303) 22.658 15.219 ( -6.369 -3.677 -5.088) 8.942 16.341 ( -19.562 -11.294 1.652) 22.648 16.656 ( -8.382 -4.839 -4.775) 10.792 16.940 ( 3.091 1.785 -7.023) 7.878 17.282 ( -16.591 -9.579 0.404) 19.162 17.288 ( 5.795 3.346 -5.071) 8.396 17.754 ( -14.687 -8.480 1.529) 17.028 18.608 ( 0.585 0.338 4.040) 4.096 19.362 ( 11.685 6.746 0.447) 13.500 20.297 ( 1.185 0.684 -9.766) 9.861 22.012 ( -0.265 -0.153 0.850) 0.904 22.032 ( -0.119 -0.068 4.974) 4.976 22.077 ( 5.430 3.135 3.053) 6.974 26.066 ( -5.157 -2.977 -14.441) 15.621 ======================= Grid point 3 (4/231) ======================= q-point: ( 0.23 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.404 ( 44.312 25.584 22.661) 55.961 3.605 ( 50.640 29.237 8.378) 59.071 6.200 ( 81.417 47.006 28.080) 98.117 8.325 ( -15.447 -8.918 -0.004) 17.836 10.001 ( -22.884 -13.212 -3.245) 26.622 10.069 ( -20.178 -11.650 -18.157) 29.539 10.778 ( -20.365 -11.758 5.076) 24.057 10.853 ( -1.424 -0.822 0.773) 1.817 11.208 ( -11.226 -6.482 10.259) 16.532 12.268 ( -2.629 -1.518 11.771) 12.156 12.433 ( 3.235 1.868 -15.932) 16.364 13.163 ( 2.582 1.491 0.703) 3.063 13.508 ( 20.925 12.081 -13.912) 27.881 13.771 ( 9.214 5.320 28.847) 30.747 14.129 ( 5.594 3.230 -4.168) 7.688 14.703 ( 15.120 8.730 11.821) 21.085 15.167 ( 4.982 2.876 1.863) 6.046 15.877 ( -23.856 -13.773 0.167) 27.547 16.441 ( -8.289 -4.786 -3.768) 10.287 16.810 ( -15.127 -8.734 -14.818) 22.906 17.021 ( -4.039 -2.332 10.240) 11.252 17.290 ( -8.636 -4.986 8.658) 13.206 17.593 ( 3.984 2.300 -9.643) 10.684 18.623 ( -1.568 -0.906 5.182) 5.490 19.555 ( 6.067 3.503 -0.216) 7.009 20.181 ( -5.577 -3.220 -14.739) 16.084 22.013 ( -0.072 -0.042 0.950) 0.953 22.056 ( 0.136 0.078 3.133) 3.137 22.317 ( 13.625 7.867 8.953) 18.102 25.819 ( -10.327 -5.962 -13.088) 17.706 ======================= Grid point 4 (5/231) ======================= q-point: ( 0.31 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.464 ( 42.463 24.516 20.153) 53.012 4.709 ( 47.932 27.674 6.674) 55.748 7.991 ( 67.994 39.256 23.427) 81.933 8.016 ( -13.808 -7.972 1.100) 15.982 9.417 ( -29.338 -16.938 0.565) 33.881 9.535 ( -19.977 -11.534 -13.560) 26.758 10.353 ( -16.761 -9.677 -3.478) 19.665 10.840 ( 0.427 0.247 -1.606) 1.680 11.101 ( -5.448 -3.145 10.587) 12.315 12.314 ( -0.481 -0.277 14.337) 14.347 12.402 ( 1.247 0.720 -11.832) 11.919 13.183 ( -0.792 -0.457 2.454) 2.619 13.886 ( 20.572 11.877 -9.908) 25.738 13.998 ( -8.261 -4.770 -14.154) 17.069 14.132 ( 7.117 4.109 27.327) 28.536 15.062 ( 14.332 8.275 -2.426) 16.726 15.204 ( -21.765 -12.566 -5.922) 25.820 15.516 ( 6.748 3.896 1.795) 7.996 16.289 ( -4.721 -2.725 -0.001) 5.451 16.350 ( -20.091 -11.599 -4.120) 23.562 17.039 ( -0.384 -0.222 7.613) 7.626 17.126 ( -9.609 -5.548 12.033) 16.368 17.716 ( 10.753 6.208 -9.154) 15.426 18.617 ( -1.986 -1.147 7.179) 7.536 19.616 ( -0.220 -0.127 -0.454) 0.520 19.897 ( -10.900 -6.293 -18.587) 22.448 22.021 ( 0.293 0.169 0.778) 0.848 22.073 ( -0.191 -0.111 2.522) 2.532 22.751 ( 20.456 11.810 11.904) 26.451 25.468 ( -14.985 -8.651 -13.392) 21.880 ======================= Grid point 5 (6/231) ======================= q-point: ( 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.462 ( 39.887 23.029 17.434) 49.247 5.741 ( 45.062 26.016 4.511) 52.228 7.697 ( -17.831 -10.295 -1.456) 20.640 8.480 ( -34.449 -19.889 3.968) 39.975 9.122 ( -10.716 -6.187 -6.221) 13.850 9.418 ( 18.223 10.521 -3.764) 21.377 10.259 ( 19.896 11.487 13.692) 26.745 10.850 ( 1.836 1.060 -3.501) 4.093 11.097 ( 1.436 0.829 7.749) 7.924 12.330 ( -3.137 -1.811 -7.764) 8.568 12.422 ( 2.815 1.625 15.731) 16.063 13.195 ( 0.250 0.144 6.607) 6.613 13.676 ( -11.105 -6.411 -19.483) 23.324 14.258 ( 18.637 10.760 -8.848) 23.268 14.295 ( -18.974 -10.955 12.173) 25.064 14.604 ( -12.857 -7.423 2.105) 14.995 15.274 ( 9.796 5.656 -10.449) 15.399 15.719 ( 6.553 3.783 -7.847) 10.901 15.962 ( -13.757 -7.942 4.484) 16.505 16.193 ( -5.405 -3.120 -0.422) 6.255 17.076 ( -0.943 -0.545 9.321) 9.385 17.091 ( 0.080 0.046 10.682) 10.682 17.932 ( 12.986 7.498 -3.237) 15.341 18.624 ( -2.769 -1.599 9.912) 10.415 19.539 ( -9.894 -5.712 -21.178) 24.063 19.547 ( -5.811 -3.355 0.425) 6.724 22.035 ( 0.679 0.392 0.371) 0.867 22.077 ( -0.595 -0.344 1.774) 1.903 23.307 ( 23.618 13.636 13.615) 30.481 25.020 ( -19.064 -11.007 -14.095) 26.139 ======================= Grid point 6 (7/231) ======================= q-point: ( 0.46 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.371 ( 35.502 20.497 14.444) 43.465 6.692 ( 40.198 23.208 0.647) 46.421 7.178 ( -26.133 -15.088 -6.759) 30.923 7.642 ( -40.968 -23.653 -1.022) 47.317 9.059 ( 4.962 2.865 3.579) 6.755 9.298 ( -11.340 -6.547 -8.995) 15.886 10.825 ( 5.089 2.938 11.871) 13.246 10.869 ( 2.183 1.260 -6.047) 6.551 11.531 ( 35.235 20.343 8.242) 41.512 12.129 ( -14.045 -8.109 -5.956) 17.277 12.673 ( 14.156 8.173 16.163) 22.987 13.247 ( -23.980 -13.845 -12.512) 30.385 13.299 ( 4.007 2.313 15.089) 15.783 13.620 ( -19.851 -11.461 -23.459) 32.799 14.547 ( 13.282 7.668 -12.894) 20.037 14.640 ( -4.457 -2.573 20.718) 21.348 15.411 ( 9.295 5.367 -8.991) 14.001 15.591 ( -10.731 -6.196 2.819) 12.708 15.925 ( 4.816 2.780 -2.979) 6.308 16.048 ( -7.248 -4.185 0.560) 8.388 17.138 ( 2.821 1.629 -1.222) 3.479 17.147 ( -1.011 -0.583 9.353) 9.426 18.237 ( 15.446 8.918 1.037) 17.865 18.538 ( -11.345 -6.550 5.492) 14.204 19.322 ( 1.752 1.011 -15.195) 15.329 19.399 ( -8.264 -4.771 4.389) 10.503 22.053 ( 0.907 0.524 -0.225) 1.072 22.069 ( -0.873 -0.504 0.965) 1.396 23.905 ( 23.917 13.809 14.477) 31.182 24.490 ( -22.201 -12.818 -14.580) 29.492 ======================= Grid point 14 (8/231) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -0.000 51.732 40.456) 65.673 1.479 ( -0.000 57.116 34.125) 66.534 2.243 ( -0.000 88.016 49.422) 100.942 8.913 ( -0.000 -9.280 0.094) 9.280 10.680 ( 0.000 -12.814 -32.071) 34.536 10.699 ( 0.000 -4.619 -18.196) 18.773 11.130 ( -0.000 -15.773 13.092) 20.499 11.526 ( -0.000 -4.846 25.187) 25.649 11.883 ( -0.000 -30.266 39.193) 49.518 12.239 ( 0.000 1.103 -8.512) 8.583 12.716 ( 0.000 3.780 -3.181) 4.941 12.889 ( 0.000 -5.559 -4.197) 6.965 12.905 ( 0.000 15.985 -7.881) 17.822 13.099 ( -0.000 -1.233 8.937) 9.022 13.223 ( -0.000 19.136 28.790) 34.569 14.223 ( -0.000 -4.305 27.062) 27.402 15.358 ( 0.000 -6.256 -7.428) 9.712 16.600 ( 0.000 -16.379 -7.153) 17.872 16.835 ( 0.000 -2.931 -0.908) 3.068 16.949 ( -0.000 3.082 0.654) 3.151 17.228 ( 0.000 16.089 -6.366) 17.303 17.565 ( 0.000 -7.698 -1.404) 7.825 18.123 ( -0.000 -24.680 5.068) 25.195 18.560 ( -0.000 2.087 3.108) 3.744 19.084 ( -0.000 17.461 3.382) 17.785 20.246 ( 0.000 3.546 -8.253) 8.982 21.949 ( 0.000 -3.067 -5.792) 6.554 22.016 ( -0.000 0.205 0.746) 0.774 22.061 ( -0.000 0.559 8.741) 8.758 26.048 ( 0.000 11.904 -29.816) 32.105 ======================= Grid point 15 (9/231) ======================= q-point: ( 0.15 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 15.525 44.122 40.349) 61.772 2.384 ( 22.193 54.288 24.802) 63.677 3.851 ( 55.176 75.312 43.118) 102.837 8.744 ( -8.213 -12.192 0.255) 14.702 10.296 ( -2.967 -20.801 -28.834) 35.678 10.544 ( -3.401 -3.617 -18.441) 19.098 11.025 ( -7.525 -8.142 12.648) 16.820 11.416 ( -17.843 -10.214 23.857) 31.494 11.755 ( -13.189 -16.847 24.556) 32.569 12.192 ( 0.211 -7.826 -10.264) 12.909 12.599 ( -10.445 4.597 -1.955) 11.578 12.770 ( 9.942 6.874 -12.890) 17.670 13.109 ( 4.026 18.558 -9.237) 21.117 13.362 ( 18.293 -2.859 13.984) 23.203 13.727 ( 14.458 16.010 25.090) 33.089 14.399 ( 4.902 0.858 22.653) 23.193 15.209 ( -3.350 -6.716 -9.066) 11.770 16.413 ( 2.342 -23.026 -7.430) 24.308 16.635 ( -15.172 0.229 -2.196) 15.331 16.956 ( -2.362 -1.675 -2.120) 3.589 17.333 ( -2.552 8.868 -4.098) 10.097 17.437 ( -7.553 2.637 2.852) 8.493 17.808 ( -10.903 -23.252 4.544) 26.080 18.658 ( 3.448 4.312 5.157) 7.555 19.311 ( 5.220 13.330 3.499) 14.737 20.232 ( 0.796 2.831 -11.723) 12.086 21.923 ( 5.104 -3.430 -7.652) 9.817 22.023 ( -0.018 0.522 0.573) 0.775 22.132 ( 0.850 0.877 12.515) 12.575 25.975 ( 0.176 -0.056 -20.654) 20.655 ======================= Grid point 16 (10/231) ======================= q-point: ( 0.23 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.214 ( 28.314 35.414 33.748) 56.522 3.423 ( 30.257 47.928 19.779) 60.032 5.727 ( 64.888 65.059 36.696) 98.943 8.456 ( -12.557 -12.264 0.929) 17.577 9.876 ( -4.629 -23.847 -22.308) 32.981 10.278 ( -15.080 -3.450 -12.075) 19.624 10.898 ( -8.284 -7.313 8.512) 13.949 11.112 ( -21.787 -10.827 14.287) 28.214 11.454 ( -18.323 -7.410 12.361) 23.312 12.095 ( 7.334 -12.353 -6.277) 15.677 12.531 ( -4.571 5.681 -0.468) 7.307 12.948 ( 13.335 -2.228 -8.270) 15.848 13.340 ( 9.650 19.213 -10.024) 23.722 13.726 ( 18.214 -1.723 13.586) 22.789 14.140 ( 3.746 9.878 10.901) 15.180 14.636 ( 9.195 3.059 13.224) 16.394 15.117 ( 3.849 0.471 -2.079) 4.400 16.131 ( -12.351 -15.841 1.260) 20.126 16.393 ( -7.449 -5.732 -9.184) 13.141 16.775 ( -8.216 -10.772 -11.995) 18.095 17.200 ( -10.352 -4.172 11.694) 16.165 17.435 ( -11.094 -9.566 6.751) 16.130 17.569 ( 0.566 9.601 -0.530) 9.632 18.764 ( -2.641 8.683 6.214) 11.000 19.506 ( 4.824 6.615 2.878) 8.678 20.145 ( -3.755 -1.355 -14.474) 15.015 21.950 ( 6.463 -2.630 -6.975) 9.866 22.035 ( 0.772 -0.022 0.987) 1.253 22.286 ( 6.812 4.454 13.721) 15.953 25.794 ( -5.078 -6.058 -17.482) 19.186 ======================= Grid point 17 (11/231) ======================= q-point: ( 0.31 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.202 ( 33.866 28.877 28.159) 52.666 4.462 ( 33.226 42.335 15.601) 56.032 7.526 ( 62.439 55.063 29.940) 88.470 8.157 ( -12.597 -9.981 3.013) 16.352 9.434 ( -8.774 -23.790 -15.498) 29.718 9.827 ( -27.314 -9.813 -4.935) 29.440 10.558 ( -21.521 -11.926 0.310) 24.607 10.895 ( -6.104 2.047 2.260) 6.823 11.256 ( -9.766 -5.949 14.623) 18.563 12.106 ( 11.081 -11.811 -4.033) 16.690 12.531 ( -3.337 5.817 2.518) 7.164 13.029 ( 8.667 -9.658 -2.976) 13.314 13.637 ( 16.060 13.049 -14.706) 25.387 13.938 ( 1.050 -2.309 -13.193) 13.435 14.220 ( 4.454 -2.475 21.182) 21.786 14.912 ( 9.636 8.239 2.161) 12.861 15.316 ( 9.980 9.542 1.373) 13.876 15.723 ( -28.597 -2.089 1.512) 28.713 16.190 ( 0.746 -18.804 -3.328) 19.111 16.424 ( -8.959 -10.096 -15.851) 20.819 17.082 ( -5.253 -13.041 15.459) 20.895 17.252 ( -5.793 -7.342 13.232) 16.204 17.729 ( -0.212 19.819 0.520) 19.827 18.809 ( -7.664 11.450 7.098) 15.499 19.613 ( 1.604 1.509 2.081) 3.030 19.905 ( -10.250 -5.573 -16.408) 20.133 21.981 ( 4.048 -1.871 -4.016) 6.001 22.055 ( 1.497 -1.295 1.095) 2.262 22.619 ( 16.813 9.187 12.423) 22.835 25.495 ( -10.130 -9.656 -16.977) 22.002 ======================= Grid point 18 (12/231) ======================= q-point: ( 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.164 ( 35.897 24.001 23.368) 49.100 5.455 ( 33.878 37.154 11.700) 51.624 7.874 ( -15.414 -10.094 3.355) 18.728 8.758 ( -4.997 -4.633 9.170) 11.425 9.119 ( 7.319 2.613 -5.495) 9.518 9.300 ( -5.168 3.949 -0.614) 6.533 10.232 ( -3.909 -1.225 4.523) 6.102 10.868 ( -2.114 3.502 -0.097) 4.091 11.175 ( -4.184 -3.344 11.698) 12.866 12.167 ( 10.293 -7.921 -4.822) 13.854 12.549 ( -3.257 2.682 8.760) 9.723 13.064 ( 9.398 -9.844 0.729) 13.630 13.618 ( -5.225 -8.183 -26.723) 28.432 13.986 ( 16.193 8.413 -12.674) 22.217 14.462 ( 10.563 -8.071 22.347) 26.002 14.834 ( -33.528 -4.851 -6.944) 34.582 15.299 ( -5.773 15.308 -6.774) 17.707 15.631 ( 7.613 9.870 -4.591) 13.283 15.967 ( -4.489 -20.154 2.788) 20.836 16.217 ( -0.118 -4.557 -10.767) 11.693 17.011 ( 2.192 -14.655 15.791) 21.655 17.235 ( -4.003 -2.560 18.302) 18.909 17.935 ( 1.857 19.877 3.367) 20.245 18.830 ( -8.728 10.990 9.346) 16.862 19.525 ( -10.293 -7.302 -19.056) 22.856 19.632 ( -6.022 -0.446 2.369) 6.487 22.002 ( 2.780 -1.179 -2.496) 3.918 22.067 ( 1.000 -2.093 1.161) 2.594 23.120 ( 23.389 11.693 11.809) 28.692 25.091 ( -14.650 -12.289 -17.289) 25.779 ======================= Grid point 19 (13/231) ======================= q-point: ( 0.46 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.072 ( 35.442 20.005 19.236) 45.015 6.376 ( 33.272 31.752 7.311) 46.569 7.430 ( -25.971 -15.979 -1.595) 30.534 8.097 ( -39.951 -21.473 0.716) 45.362 9.007 ( 3.880 -1.159 0.061) 4.050 9.380 ( -11.307 -2.321 -10.055) 15.308 10.674 ( 19.825 2.772 12.921) 23.825 10.882 ( 0.087 0.418 3.433) 3.459 11.337 ( 18.539 20.039 6.717) 28.114 12.168 ( -1.429 -4.850 -6.645) 8.350 12.642 ( 7.033 2.478 13.959) 15.826 13.161 ( 7.501 -8.824 -2.137) 11.777 13.334 ( -0.748 -3.443 -13.284) 13.743 13.947 ( -43.515 -9.999 -16.346) 47.547 14.255 ( 13.626 0.525 -15.437) 20.597 14.628 ( 7.321 -12.741 15.455) 21.326 15.377 ( -0.507 12.803 -7.984) 15.097 15.675 ( -6.450 -0.535 -1.879) 6.739 15.876 ( 5.476 2.556 -0.221) 6.048 16.122 ( -2.083 -3.464 -4.387) 5.965 17.049 ( 5.075 -9.686 10.873) 15.421 17.247 ( -4.482 -5.807 18.672) 20.061 18.203 ( 5.813 18.941 4.210) 20.255 18.773 ( -15.521 1.387 5.580) 16.551 19.246 ( -1.760 2.318 -15.656) 15.924 19.537 ( -8.181 -1.516 6.310) 10.442 22.019 ( 2.310 -1.029 -2.651) 3.664 22.064 ( 0.291 -2.018 1.438) 2.495 23.702 ( 25.781 12.229 11.709) 30.844 24.597 ( -18.361 -14.160 -17.483) 29.039 ======================= Grid point 20 (14/231) ======================= q-point: (-0.46 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.665 ( -31.934 -19.024 -7.795) 37.980 6.879 ( 28.421 14.737 15.785) 35.695 7.231 ( -41.071 -17.361 -2.075) 44.638 7.291 ( 30.725 25.077 4.565) 39.922 9.089 ( -8.529 -6.168 -7.059) 12.674 9.222 ( 13.120 7.975 7.499) 17.087 10.759 ( -0.857 -6.538 -6.167) 9.029 10.896 ( 0.527 -5.750 8.786) 10.514 11.887 ( -23.508 -8.708 -3.817) 25.358 11.976 ( 20.503 13.899 5.761) 25.431 12.788 ( -22.148 -13.552 -17.893) 31.534 13.036 ( 10.783 6.403 4.705) 13.394 13.230 ( 0.108 1.451 -17.467) 17.527 13.595 ( 14.897 11.059 18.094) 25.916 14.358 ( 11.655 -7.261 -16.773) 21.677 14.636 ( -0.149 -14.155 10.631) 17.703 15.418 ( 4.752 6.032 -13.567) 15.590 15.573 ( -6.406 2.104 2.663) 7.250 16.021 ( -0.084 2.081 -0.017) 2.083 16.057 ( -0.013 7.004 4.905) 8.551 17.074 ( 1.829 -7.826 3.085) 8.609 17.174 ( -6.508 -10.917 12.644) 17.928 18.398 ( -8.949 0.830 -11.005) 14.209 18.545 ( -3.492 13.017 5.564) 14.581 19.319 ( 6.434 8.139 -1.696) 10.512 19.460 ( -5.331 -0.068 12.949) 14.003 22.018 ( 1.703 -2.394 -3.518) 4.583 22.064 ( 0.058 -0.377 1.535) 1.582 24.040 ( -20.879 -15.096 -16.963) 30.847 24.296 ( 25.275 11.446 11.374) 29.987 ======================= Grid point 21 (15/231) ======================= q-point: (-0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.810 ( -40.481 -22.801 -9.533) 47.429 6.301 ( -48.253 -16.171 -1.786) 50.922 7.505 ( 20.542 9.992 6.848) 23.848 8.085 ( 35.113 22.046 -0.867) 41.469 9.015 ( 7.821 -0.663 1.393) 7.972 9.563 ( 6.007 9.320 10.596) 15.336 10.418 ( -23.734 -19.525 -13.339) 33.503 10.901 ( -0.194 -1.835 3.484) 3.943 11.258 ( -29.454 -2.657 -2.035) 29.644 12.243 ( 0.881 -6.941 -3.235) 7.709 12.399 ( 2.642 3.307 -7.858) 8.926 12.975 ( 8.207 -11.859 -16.413) 21.849 13.634 ( 16.601 11.487 12.482) 23.735 14.098 ( 12.580 9.261 -13.301) 20.517 14.358 ( 6.422 -4.965 10.620) 13.367 14.533 ( -2.685 1.181 7.135) 7.715 15.505 ( -7.257 5.282 -0.028) 8.976 15.562 ( 18.450 -0.734 -9.345) 20.695 15.926 ( -10.959 -1.190 3.740) 11.640 16.227 ( 2.698 8.186 5.640) 10.301 16.948 ( -3.288 -15.505 0.233) 15.851 17.060 ( -0.857 -5.415 -1.243) 5.621 18.117 ( -12.308 -1.712 -4.904) 13.359 18.687 ( -3.815 16.549 -2.259) 17.132 19.496 ( 6.192 5.497 2.012) 8.521 19.575 ( 5.704 3.440 19.449) 20.558 21.994 ( 1.566 -3.137 -4.067) 5.370 22.071 ( -0.302 0.527 0.621) 0.868 23.458 ( -21.825 -14.713 -15.254) 30.422 24.851 ( 22.929 9.752 10.536) 27.053 ======================= Grid point 22 (16/231) ======================= q-point: (-0.31 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.851 ( -44.720 -22.282 -10.580) 51.072 5.331 ( -52.988 -13.934 -2.892) 54.865 7.852 ( 13.667 5.284 0.777) 14.673 8.542 ( -24.648 -6.674 -13.242) 28.765 9.179 ( -8.174 -4.021 0.924) 9.157 9.365 ( 19.899 8.177 6.857) 22.580 10.232 ( 13.098 10.105 3.392) 16.887 10.896 ( -2.051 1.136 2.770) 3.629 11.026 ( -2.030 0.584 -4.163) 4.668 12.117 ( 3.931 -10.875 -8.941) 14.617 12.520 ( 1.681 6.375 2.998) 7.242 12.955 ( 11.715 -11.184 -9.969) 19.018 13.937 ( -2.285 -4.131 -25.122) 25.562 14.045 ( 9.918 1.362 19.564) 21.976 14.208 ( -17.185 -1.889 4.267) 17.807 14.984 ( 15.545 13.767 9.171) 22.700 15.384 ( -12.270 6.260 -0.951) 13.807 15.649 ( -15.913 -5.573 -4.576) 17.471 15.918 ( 26.496 -0.872 0.232) 26.511 16.335 ( 2.076 6.216 0.711) 6.592 16.855 ( 10.317 -10.535 -2.734) 14.997 17.012 ( 1.279 -3.250 -2.462) 4.273 17.923 ( -10.449 -0.175 2.034) 10.647 18.724 ( -7.484 16.170 -2.447) 17.985 19.611 ( 2.159 0.954 2.583) 3.499 19.880 ( 11.286 4.850 18.095) 21.871 21.966 ( 2.102 -3.276 -5.211) 6.504 22.068 ( -0.880 0.669 -0.281) 1.140 22.903 ( -20.655 -12.451 -11.868) 26.880 25.332 ( 19.467 7.477 9.271) 22.822 ======================= Grid point 23 (17/231) ======================= q-point: (-0.23 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.839 ( -48.632 -19.775 -10.552) 53.549 4.304 ( -57.874 -10.911 -2.996) 58.970 7.104 ( -87.655 -26.282 -16.901) 93.058 8.132 ( 15.989 4.702 0.061) 16.667 9.603 ( 31.106 4.728 1.800) 31.515 9.913 ( 26.306 12.036 6.304) 29.607 10.584 ( 13.012 7.639 3.210) 15.427 10.904 ( -1.653 3.761 3.316) 5.279 11.068 ( 7.905 4.606 -5.452) 10.650 12.076 ( 6.975 -7.965 -4.595) 11.542 12.593 ( 0.328 1.934 5.009) 5.379 12.993 ( 7.368 -6.624 -4.430) 10.853 13.642 ( -6.382 -8.263 -22.323) 24.645 13.922 ( -19.475 -1.448 6.739) 20.659 14.264 ( -5.123 3.779 12.390) 13.930 14.889 ( -22.962 -6.790 -0.716) 23.956 15.196 ( -8.167 -7.107 -11.726) 15.960 15.681 ( 16.427 15.570 -2.487) 22.769 16.304 ( 14.905 -0.350 8.489) 17.156 16.567 ( 21.553 8.224 -3.257) 23.298 16.971 ( 4.338 -6.772 7.295) 10.858 17.049 ( 15.185 0.433 -9.125) 17.721 17.777 ( -10.963 0.005 5.415) 12.227 18.730 ( -7.707 13.554 -1.719) 15.686 19.607 ( -3.068 -2.964 1.808) 4.633 20.184 ( 8.724 3.328 13.463) 16.384 21.941 ( 2.796 -3.134 -6.491) 7.731 22.053 ( -1.218 0.650 -1.066) 1.745 22.448 ( -16.536 -8.023 -6.301) 19.429 25.723 ( 15.495 4.937 7.694) 17.991 ======================= Grid point 24 (18/231) ======================= q-point: (-0.15 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( -52.632 -14.020 -8.180) 55.079 3.237 ( -62.408 -6.253 -1.958) 62.752 5.276 ( -98.889 -20.679 -13.228) 101.890 8.451 ( 17.830 3.587 0.365) 18.191 10.145 ( 30.589 1.576 4.025) 30.893 10.449 ( 23.422 7.696 5.600) 25.282 10.776 ( 8.763 -0.240 -3.057) 9.284 10.944 ( 0.562 3.847 -0.640) 3.940 11.275 ( 10.919 7.122 -4.487) 13.787 12.152 ( 8.913 -1.266 1.168) 9.078 12.642 ( 0.293 0.307 6.995) 7.008 12.985 ( -0.072 -4.721 -1.362) 4.914 13.351 ( -7.714 -3.195 -15.836) 17.902 13.634 ( -21.370 -1.688 11.518) 24.335 13.963 ( -27.534 -6.874 -9.669) 29.981 14.448 ( -20.164 -3.615 -5.808) 21.293 15.137 ( 7.536 -0.095 -0.258) 7.541 16.096 ( 21.750 8.822 -3.168) 23.684 16.525 ( 8.810 -1.165 6.163) 10.815 16.977 ( 0.395 -0.270 -0.413) 0.632 17.013 ( 24.109 2.667 2.046) 24.343 17.345 ( 18.899 6.276 -2.863) 20.118 17.626 ( -8.906 -3.787 5.058) 10.920 18.696 ( -7.344 6.904 -1.319) 10.166 19.486 ( -8.699 -3.699 0.628) 9.474 20.349 ( 1.739 0.667 6.686) 6.940 21.926 ( 3.102 -2.018 -5.553) 6.673 22.033 ( -1.074 0.795 -1.282) 1.852 22.166 ( -9.474 -3.212 -0.466) 10.014 26.014 ( 11.538 2.404 5.519) 13.014 ======================= Grid point 25 (19/231) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -55.882 0.000 0.000) 55.882 2.166 ( -65.722 0.000 0.000) 65.722 3.459 (-105.717 0.000 0.000) 105.717 8.742 ( 14.997 -0.000 -0.000) 14.997 10.662 ( 29.180 -0.000 -0.000) 29.180 10.780 ( 9.843 -0.000 -0.000) 9.843 10.968 ( 1.389 -0.000 -0.000) 1.389 10.971 ( 17.727 -0.000 -0.000) 17.727 11.428 ( 6.698 -0.000 -0.000) 6.698 12.288 ( 5.668 -0.000 -0.000) 5.668 12.664 ( -3.380 0.000 0.000) 3.380 12.945 ( 2.456 -0.000 -0.000) 2.456 13.179 ( -8.322 0.000 0.000) 8.322 13.327 ( -32.533 0.000 0.000) 32.533 13.358 ( -19.554 0.000 0.000) 19.554 14.151 ( -11.759 0.000 0.000) 11.759 15.292 ( 9.196 -0.000 -0.000) 9.196 16.486 ( 21.235 -0.000 -0.000) 21.235 16.647 ( 6.329 -0.000 -0.000) 6.329 16.970 ( -1.010 0.000 0.000) 1.010 17.378 ( 17.677 -0.000 -0.000) 17.677 17.406 ( -12.984 0.000 0.000) 12.984 17.770 ( 24.526 -0.000 -0.000) 24.526 18.613 ( -5.712 0.000 0.000) 5.712 19.280 ( -14.401 0.000 0.000) 14.401 20.348 ( -3.416 0.000 0.000) 3.416 21.948 ( 2.812 -0.000 -0.000) 2.812 22.020 ( -0.584 0.000 0.000) 0.584 22.052 ( -3.627 0.000 0.000) 3.627 26.201 ( 7.870 -0.000 -0.000) 7.870 ======================= Grid point 28 (20/231) ======================= q-point: ( 0.15 0.15 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( -0.000 48.879 38.163) 62.012 2.920 ( -0.000 54.959 32.765) 63.984 4.421 ( -0.000 84.749 46.219) 96.532 8.692 ( -0.000 -14.359 1.644) 14.453 9.925 ( 0.000 -22.705 -31.128) 38.529 10.458 ( 0.000 -2.062 -10.906) 11.099 11.086 ( -0.000 -7.917 12.098) 14.458 11.611 ( -0.000 -16.406 22.433) 27.792 11.757 ( -0.000 -18.745 13.488) 23.093 12.127 ( 0.000 -2.772 -5.273) 5.957 12.655 ( 0.000 -8.545 -8.448) 12.016 12.697 ( 0.000 3.957 -13.834) 14.389 13.162 ( -0.000 -7.381 15.085) 16.794 13.239 ( 0.000 28.553 -11.479) 30.775 13.927 ( -0.000 16.900 24.379) 29.664 14.499 ( -0.000 2.369 21.034) 21.167 15.100 ( 0.000 -8.004 -11.519) 14.027 16.114 ( 0.000 -22.501 -9.887) 24.578 16.798 ( -0.000 -1.472 1.785) 2.314 16.866 ( 0.000 -10.201 -6.914) 12.323 17.438 ( -0.000 -0.452 4.160) 4.185 17.524 ( -0.000 2.728 7.952) 8.407 17.794 ( -0.000 -5.433 1.662) 5.682 18.662 ( -0.000 2.014 7.594) 7.857 19.462 ( -0.000 16.839 5.949) 17.859 20.181 ( 0.000 3.637 -14.519) 14.968 21.781 ( 0.000 -3.983 -10.562) 11.288 22.034 ( 0.000 1.145 0.081) 1.147 22.198 ( -0.000 -0.756 13.271) 13.292 25.846 ( 0.000 -2.067 -20.047) 20.153 ======================= Grid point 29 (21/231) ======================= q-point: ( 0.23 0.15 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.579 ( 5.211 44.375 40.272) 60.151 3.686 ( 12.003 52.827 25.086) 59.700 5.786 ( 37.138 76.799 41.281) 94.770 8.509 ( -7.381 -13.795 3.001) 15.931 9.541 ( -0.020 -22.356 -26.877) 34.960 10.349 ( -5.686 -2.544 -7.343) 9.629 11.022 ( -7.324 -7.407 10.280) 14.635 11.401 ( -16.103 -15.869 16.887) 28.219 11.680 ( -3.091 -17.818 13.988) 22.863 11.907 ( -11.396 -5.864 -12.165) 17.670 12.519 ( 2.332 -4.657 -5.380) 7.488 12.738 ( 8.074 0.528 -9.204) 12.255 13.282 ( 11.691 -2.687 -7.016) 13.897 13.512 ( 9.746 18.294 1.584) 20.788 14.228 ( 4.124 7.228 12.977) 15.416 14.651 ( 1.814 3.566 12.522) 13.145 15.010 ( 5.930 -2.522 -4.764) 8.014 15.890 ( 4.228 -21.235 -7.273) 22.841 16.611 ( -11.631 -3.618 -4.745) 13.073 16.741 ( -7.371 -9.875 -1.025) 12.365 17.322 ( -5.692 -18.691 8.721) 21.397 17.523 ( -10.973 0.499 8.205) 13.711 17.823 ( -4.567 21.203 5.730) 22.434 18.823 ( 8.105 4.489 8.688) 12.701 19.617 ( -3.481 13.195 5.720) 14.797 20.106 ( -1.988 1.430 -15.569) 15.761 21.741 ( 7.018 -2.855 -11.620) 13.872 22.043 ( -0.201 0.474 0.988) 1.114 22.299 ( 4.195 0.261 12.831) 13.502 25.676 ( -1.837 -7.422 -19.011) 20.490 ======================= Grid point 30 (22/231) ======================= q-point: ( 0.31 0.15 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.337 ( 12.680 39.474 35.268) 54.432 4.553 ( 20.611 45.938 21.042) 54.570 7.381 ( 47.882 65.112 34.011) 87.687 8.271 ( -10.164 -10.392 5.415) 15.512 9.188 ( -1.435 -20.845 -20.812) 29.490 10.080 ( -18.384 -9.662 -3.521) 21.065 10.789 ( -18.329 -12.114 4.584) 22.443 11.095 ( -14.567 -2.278 5.779) 15.836 11.457 ( -12.669 -11.746 14.628) 22.637 11.769 ( 10.009 -11.623 -9.254) 17.914 12.528 ( 5.206 -3.344 -1.274) 6.317 12.812 ( 7.452 -5.711 -3.241) 9.932 13.358 ( 12.621 -4.878 -22.084) 25.900 13.845 ( 8.986 12.379 0.981) 15.329 14.195 ( -4.268 -9.521 -1.659) 10.565 14.878 ( 11.597 8.868 6.617) 16.029 15.215 ( 13.020 7.602 3.167) 15.406 15.783 ( 7.686 -17.629 -0.562) 19.240 16.342 ( -22.700 5.145 -4.743) 23.754 16.398 ( -16.122 -13.167 -5.673) 21.575 17.053 ( -4.991 -25.601 10.965) 28.294 17.448 ( -9.645 5.056 13.968) 17.712 18.008 ( -4.093 21.489 9.714) 23.935 19.035 ( 1.802 10.387 8.268) 13.397 19.656 ( -4.374 5.062 -0.365) 6.700 19.944 ( -8.412 -1.017 -10.460) 13.461 21.797 ( 9.580 -1.435 -10.551) 14.323 22.048 ( -0.087 -1.022 2.416) 2.625 22.519 ( 12.417 4.225 11.173) 17.230 25.416 ( -5.610 -11.613 -19.027) 22.986 ======================= Grid point 31 (23/231) ======================= q-point: ( 0.38 0.15 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.128 ( 19.610 33.076 29.249) 48.312 5.429 ( 24.621 39.096 16.962) 49.218 8.049 ( -12.859 -8.218 7.740) 17.111 8.698 ( 17.181 7.853 9.970) 21.360 8.990 ( 17.007 20.953 -2.125) 27.070 9.545 ( -26.912 -15.218 -0.696) 30.925 10.384 ( -16.160 -6.039 0.031) 17.251 10.966 ( -6.330 1.158 1.680) 6.651 11.283 ( -6.361 -8.842 12.392) 16.498 11.839 ( 15.121 -8.134 -6.117) 18.227 12.596 ( 4.607 -2.496 3.821) 6.485 12.836 ( 6.306 -8.552 0.419) 10.634 13.309 ( 9.626 -13.540 -29.403) 33.772 13.833 ( -2.823 -0.569 -14.042) 14.334 14.282 ( 13.479 -1.427 7.108) 15.305 15.153 ( 4.407 8.261 4.370) 10.332 15.511 ( 8.682 12.623 -2.475) 15.519 15.732 ( -25.756 -13.297 -7.629) 29.973 15.789 ( -4.616 -4.377 7.076) 9.515 16.128 ( -6.645 -3.603 -11.676) 13.910 16.895 ( 3.597 -22.164 14.968) 26.986 17.444 ( -8.456 3.949 18.472) 20.696 18.203 ( -3.458 20.423 11.587) 23.734 19.151 ( -7.297 13.564 8.454) 17.570 19.508 ( -8.759 -5.541 -16.666) 19.626 19.774 ( -8.816 2.123 4.430) 10.092 21.873 ( 7.519 -0.785 -7.816) 10.874 22.051 ( 0.184 -1.981 3.072) 3.660 22.914 ( 21.357 8.016 9.576) 24.740 25.056 ( -9.824 -14.470 -19.476) 26.176 ======================= Grid point 32 (24/231) ======================= q-point: ( 0.46 0.15 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.920 ( 24.356 26.794 23.648) 43.248 6.259 ( 26.162 32.024 12.154) 43.101 7.700 ( -23.765 -13.412 3.660) 27.533 8.473 ( -24.455 -16.449 1.663) 29.519 8.950 ( -5.625 -6.849 -2.330) 9.164 9.498 ( -10.206 2.547 -9.789) 14.369 10.507 ( 17.822 9.856 17.724) 26.998 10.889 ( -1.879 -5.240 1.363) 5.731 11.315 ( 8.174 10.637 5.057) 14.336 11.992 ( 12.302 -2.449 -7.383) 14.555 12.650 ( 2.320 -3.138 10.826) 11.508 12.883 ( 9.365 -10.377 -13.225) 19.243 13.161 ( 7.713 -5.725 -8.789) 13.020 13.802 ( 13.395 -6.175 -17.741) 23.072 14.465 ( 4.666 -4.233 2.827) 6.906 14.727 ( -51.548 -2.760 -5.420) 51.906 15.448 ( 3.644 1.823 0.216) 4.080 15.722 ( 4.422 -6.577 2.522) 8.317 15.803 ( -0.269 11.828 -4.796) 12.766 16.008 ( 4.587 -1.893 -8.568) 9.902 16.905 ( 8.061 -16.999 14.180) 23.559 17.446 ( -9.388 0.591 21.430) 23.404 18.413 ( -1.821 19.533 9.692) 21.882 19.071 ( -17.740 -3.618 -2.606) 18.292 19.265 ( -4.432 10.905 -7.440) 13.926 19.700 ( -7.610 0.613 7.378) 10.617 21.925 ( 4.650 -0.982 -5.557) 7.312 22.057 ( 0.298 -1.251 3.280) 3.523 23.443 ( 26.493 9.609 8.793) 29.522 24.606 ( -13.708 -16.229 -19.622) 28.919 ======================= Grid point 33 (25/231) ======================= q-point: ( 0.54 0.15 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.678 ( 26.152 20.499 18.841) 38.199 6.885 ( -2.363 3.184 -0.056) 3.965 7.217 ( -4.516 5.379 5.865) 9.150 7.749 ( -40.743 -16.150 0.510) 43.830 9.101 ( 14.512 7.162 5.632) 17.135 9.148 ( -13.175 -9.180 -9.870) 18.849 10.677 ( -0.627 -7.578 -2.601) 8.036 10.875 ( 1.648 -7.035 11.604) 13.670 11.792 ( 21.502 16.198 3.267) 27.118 11.994 ( -1.689 -6.237 -7.434) 9.850 12.660 ( 1.693 -12.112 -21.453) 24.695 12.961 ( 19.469 6.155 10.338) 22.886 13.403 ( -3.231 6.142 -1.003) 7.013 13.685 ( -31.112 1.613 -2.071) 31.223 13.949 ( 14.745 -7.472 -17.631) 24.168 14.512 ( 2.071 -12.264 6.332) 13.957 15.471 ( -7.638 6.718 -5.081) 11.370 15.656 ( -0.074 -4.074 4.823) 6.314 15.923 ( 7.813 4.407 -12.508) 15.392 16.107 ( 5.606 4.708 3.608) 8.162 16.953 ( 5.970 -13.922 8.848) 17.543 17.371 ( -14.496 -4.924 21.365) 26.284 18.505 ( -9.743 5.742 -12.510) 16.864 18.800 ( -7.874 9.997 6.190) 14.151 19.342 ( 0.898 10.429 2.082) 10.673 19.631 ( -6.821 0.414 9.941) 12.063 21.936 ( 2.386 -2.281 -4.451) 5.541 22.078 ( -0.077 1.010 3.349) 3.499 24.022 ( 26.790 8.696 7.410) 29.125 24.092 ( -15.786 -16.149 -18.056) 28.914 ======================= Grid point 34 (26/231) ======================= q-point: (-0.38 0.15 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.231 ( -39.814 -17.631 -4.186) 43.744 6.921 ( -45.068 -12.277 -0.487) 46.713 7.324 ( 20.994 12.877 12.886) 27.796 7.778 ( 27.774 20.809 1.303) 34.728 8.894 ( 1.090 -7.627 -3.701) 8.547 9.531 ( 17.854 13.482 9.832) 24.438 10.474 ( -10.408 -13.199 -6.580) 18.051 10.891 ( 0.179 -4.129 6.584) 7.774 11.747 ( -18.663 -5.843 -0.576) 19.565 12.222 ( 3.262 4.626 4.057) 6.964 12.314 ( -11.536 -9.323 -16.569) 22.238 12.703 ( -12.391 -10.196 -21.412) 26.757 13.479 ( 23.524 7.772 13.058) 28.005 13.832 ( 10.416 -0.714 -22.434) 24.745 14.328 ( 17.921 16.407 20.992) 32.110 14.483 ( 9.420 -7.524 1.289) 12.125 15.328 ( -5.461 1.271 -10.495) 11.899 15.674 ( -2.707 3.887 2.286) 5.260 16.004 ( 5.501 -0.128 -3.710) 6.636 16.249 ( 3.810 2.414 4.211) 6.171 16.917 ( -1.568 -11.626 4.095) 12.425 17.122 ( -18.251 -9.880 12.222) 24.085 18.237 ( -10.708 1.549 -13.964) 17.665 18.934 ( -3.275 17.282 5.785) 18.517 19.479 ( 4.072 5.756 3.158) 7.725 19.651 ( 0.351 1.727 14.061) 14.171 21.914 ( 1.268 -2.807 -4.379) 5.353 22.103 ( -1.283 2.173 3.093) 3.992 23.548 ( -18.341 -15.663 -16.399) 29.165 24.588 ( 26.327 7.809 7.139) 28.373 ======================= Grid point 35 (27/231) ======================= q-point: (-0.31 0.15 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.364 ( -45.298 -14.752 -4.514) 47.853 6.054 ( -50.075 -8.469 -0.972) 50.796 7.703 ( 11.318 4.588 3.729) 12.770 8.380 ( 26.307 11.765 -3.732) 29.059 9.062 ( 21.433 1.280 4.865) 22.016 9.737 ( -39.466 -7.060 2.358) 40.162 10.132 ( 10.163 6.766 -0.252) 12.212 10.890 ( 0.800 -2.033 1.659) 2.743 11.262 ( -27.680 1.085 1.850) 27.763 11.885 ( 2.889 -14.295 -11.327) 18.466 12.426 ( 5.862 -4.973 -12.524) 14.695 12.679 ( 13.853 3.470 3.269) 14.650 13.702 ( 2.790 -14.671 -15.510) 21.531 14.009 ( 15.716 12.470 11.820) 23.286 14.415 ( -3.035 -1.571 3.121) 4.628 14.990 ( 11.456 18.635 10.290) 24.174 15.262 ( 10.408 -5.663 -19.071) 22.452 15.715 ( 2.084 8.651 7.947) 11.931 15.967 ( -12.814 1.406 1.920) 13.033 16.336 ( 6.179 -4.923 2.282) 8.223 16.660 ( -10.904 -11.334 -0.123) 15.728 16.947 ( 0.634 -6.425 1.071) 6.544 18.059 ( -7.365 2.136 -5.175) 9.251 19.021 ( -7.738 16.043 1.820) 17.904 19.593 ( 3.170 0.929 2.820) 4.343 19.841 ( 9.334 2.587 13.853) 16.904 21.878 ( 0.922 -2.534 -4.784) 5.491 22.108 ( -2.388 1.731 2.093) 3.616 23.035 ( -18.340 -12.022 -11.682) 24.846 25.090 ( 23.478 5.483 5.519) 24.733 ======================= Grid point 36 (28/231) ======================= q-point: (-0.23 0.15 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.461 ( -49.516 -9.115 -3.535) 50.472 5.140 ( -55.094 -4.496 -0.788) 55.283 7.921 ( 12.977 1.629 0.271) 13.082 8.210 ( -68.704 -7.771 -6.897) 69.485 9.208 ( 16.027 1.562 0.869) 16.126 9.560 ( 29.155 4.372 3.197) 29.654 10.494 ( 12.400 8.119 4.117) 15.383 10.935 ( 6.366 1.607 -0.552) 6.589 11.022 ( -7.053 0.558 0.652) 7.105 11.850 ( 9.465 -7.822 -2.807) 12.595 12.411 ( 8.765 -6.857 -9.226) 14.455 12.976 ( 7.395 10.067 11.790) 17.177 13.463 ( -2.529 -12.897 -18.722) 22.875 14.183 ( -9.403 -0.972 3.070) 9.939 14.502 ( -0.226 12.708 18.720) 22.627 15.090 ( 0.039 -12.157 -19.618) 23.079 15.197 ( -10.253 2.538 0.413) 10.570 15.689 ( -12.507 3.666 -0.593) 13.046 16.107 ( 18.340 12.213 9.874) 24.146 16.360 ( 6.739 -3.306 -1.969) 7.761 16.642 ( 18.174 -8.488 -1.829) 20.142 16.942 ( 2.253 -2.377 0.256) 3.285 17.946 ( -7.490 1.224 -0.227) 7.593 19.009 ( -10.341 10.811 0.509) 14.969 19.621 ( -0.451 -2.070 1.607) 2.659 20.109 ( 11.594 1.882 8.169) 14.307 21.847 ( 1.260 -1.791 -4.158) 4.699 22.086 ( -2.489 0.596 0.614) 2.632 22.617 ( -16.675 -5.869 -5.065) 18.389 25.505 ( 19.880 2.765 3.271) 20.336 ======================= Grid point 37 (29/231) ======================= q-point: (-0.15 0.15 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.578 ( -52.653 0.000 0.000) 52.653 4.192 ( -59.463 0.000 0.000) 59.463 6.739 ( -95.817 0.000 0.000) 95.817 8.178 ( 17.349 -0.000 -0.000) 17.349 9.657 ( 31.014 -0.000 -0.000) 31.014 10.068 ( 28.804 -0.000 -0.000) 28.804 10.666 ( 5.631 -0.000 -0.000) 5.631 10.968 ( -1.364 0.000 0.000) 1.364 11.119 ( 11.914 -0.000 -0.000) 11.914 11.985 ( 11.238 -0.000 -0.000) 11.238 12.499 ( 10.178 -0.000 -0.000) 10.178 13.140 ( -10.666 0.000 0.000) 10.666 13.259 ( 5.223 -0.000 -0.000) 5.223 13.962 ( -16.743 0.000 0.000) 16.743 14.411 ( -27.347 0.000 0.000) 27.347 14.827 ( -28.822 0.000 0.000) 28.822 14.993 ( 7.677 -0.000 -0.000) 7.677 15.800 ( 17.005 -0.000 -0.000) 17.005 16.412 ( 8.754 -0.000 -0.000) 8.754 16.613 ( 25.059 -0.000 -0.000) 25.059 16.962 ( 1.386 -0.000 -0.000) 1.386 16.962 ( 24.949 -0.000 -0.000) 24.949 17.814 ( -10.192 0.000 0.000) 10.192 18.888 ( -10.908 0.000 0.000) 10.908 19.574 ( -4.300 0.000 0.000) 4.300 20.302 ( 7.530 -0.000 -0.000) 7.530 21.852 ( 2.407 -0.000 -0.000) 2.407 22.055 ( -1.716 0.000 0.000) 1.716 22.332 ( -13.601 0.000 0.000) 13.601 25.817 ( 15.963 -0.000 -0.000) 15.963 ======================= Grid point 42 (30/231) ======================= q-point: ( 0.23 0.23 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.159 ( -0.000 43.839 34.027) 55.495 4.287 ( -0.000 51.455 30.684) 59.909 6.462 ( -0.000 78.342 40.836) 88.347 8.469 ( -0.000 -12.886 5.711) 14.095 9.182 ( 0.000 -19.335 -26.395) 32.719 10.342 ( 0.000 -3.403 -3.087) 4.594 11.079 ( -0.000 -7.733 10.232) 12.826 11.475 ( -0.000 -18.868 -1.206) 18.907 11.501 ( -0.000 -17.540 16.302) 23.946 12.030 ( -0.000 -6.658 2.622) 7.156 12.426 ( 0.000 -5.009 -6.914) 8.538 12.507 ( 0.000 -6.771 -14.090) 15.632 13.022 ( 0.000 -12.244 -11.161) 16.568 13.658 ( 0.000 24.211 -5.953) 24.932 14.317 ( -0.000 2.227 11.111) 11.332 14.785 ( -0.000 5.409 12.283) 13.421 14.828 ( 0.000 -7.883 -10.170) 12.867 15.653 ( 0.000 -12.506 -5.445) 13.640 16.537 ( 0.000 -14.318 -3.988) 14.863 16.775 ( -0.000 -10.151 6.908) 12.278 17.266 ( -0.000 -11.464 7.997) 13.977 17.775 ( -0.000 8.813 11.591) 14.561 18.074 ( -0.000 20.420 5.050) 21.035 18.811 ( -0.000 0.784 13.069) 13.093 19.847 ( -0.000 15.249 8.495) 17.455 20.036 ( 0.000 2.506 -19.372) 19.534 21.589 ( 0.000 -0.612 -12.597) 12.612 22.054 ( -0.000 0.258 0.776) 0.817 22.323 ( -0.000 -1.788 11.286) 11.426 25.493 ( 0.000 -10.956 -19.241) 22.141 ======================= Grid point 43 (31/231) ======================= q-point: ( 0.31 0.23 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.805 ( 6.592 38.715 33.799) 51.814 4.931 ( 2.011 49.142 25.238) 55.280 7.612 ( 25.498 67.826 35.342) 80.620 8.353 ( -6.003 -8.920 8.452) 13.676 8.890 ( 1.303 -13.894 -21.995) 26.049 10.202 ( -9.736 -10.143 -1.178) 14.109 10.964 ( -11.643 -10.035 6.536) 16.702 11.289 ( -4.197 -13.033 2.043) 13.844 11.389 ( -1.756 -15.950 4.564) 16.683 11.745 ( -16.788 -7.300 1.973) 18.413 12.390 ( 4.021 -2.736 -3.627) 6.067 12.544 ( 14.952 -10.002 -6.213) 19.031 12.893 ( 12.344 -17.166 -24.874) 32.646 13.872 ( 6.300 17.329 -3.162) 18.707 14.238 ( -13.323 -7.625 -3.456) 15.735 14.732 ( 9.559 -5.075 -0.420) 10.831 15.057 ( 16.109 3.233 3.222) 16.743 15.595 ( 2.186 -0.534 -1.437) 2.670 16.357 ( -5.177 -11.697 -1.020) 12.832 16.664 ( -3.770 -13.725 8.656) 16.659 17.109 ( -18.548 -5.419 6.930) 20.529 17.778 ( -12.633 8.352 12.656) 19.737 18.304 ( -0.839 17.650 11.091) 20.862 19.022 ( 11.931 2.928 12.499) 17.525 19.821 ( -10.901 5.999 -14.873) 19.391 20.038 ( -2.790 8.102 3.281) 9.176 21.588 ( 7.105 2.772 -11.681) 13.950 22.056 ( -0.271 -1.161 2.026) 2.351 22.430 ( 7.900 -0.236 8.875) 11.884 25.241 ( -2.297 -14.755 -19.721) 24.736 ======================= Grid point 44 (32/231) ======================= q-point: ( 0.38 0.23 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.457 ( 6.784 35.048 33.350) 48.852 5.589 ( 11.968 41.215 17.061) 46.184 8.228 ( -9.821 -5.054 11.640) 16.047 8.517 ( 8.805 -6.582 -0.320) 10.998 9.008 ( 22.388 49.256 9.210) 54.883 9.798 ( -22.746 -17.879 0.155) 28.932 10.605 ( -19.406 -9.219 -0.403) 21.489 11.076 ( -8.288 -10.603 -1.594) 13.552 11.269 ( 1.286 -13.357 3.871) 13.966 11.608 ( 2.298 -0.320 2.037) 3.088 12.437 ( 8.400 -5.483 -1.989) 10.226 12.645 ( 9.912 -10.423 -2.278) 14.563 12.790 ( 14.804 -15.836 -24.846) 32.973 13.848 ( -13.500 -11.721 -12.386) 21.750 14.139 ( 10.425 10.991 -0.426) 15.155 14.912 ( 18.742 -9.368 -0.648) 20.962 15.375 ( 17.908 1.113 1.276) 17.988 15.668 ( 1.302 10.935 -2.510) 11.295 16.138 ( -11.035 -9.074 0.901) 14.316 16.459 ( -28.443 3.544 3.236) 28.846 16.727 ( -8.330 -19.630 9.051) 23.166 17.763 ( -9.909 7.330 17.727) 21.591 18.496 ( -2.277 14.116 13.368) 19.574 19.291 ( 6.884 2.093 10.230) 12.507 19.569 ( -12.293 5.699 -19.794) 23.987 20.019 ( -11.694 6.070 8.241) 15.540 21.699 ( 8.634 4.664 -8.879) 13.234 22.053 ( -0.059 -1.830 3.245) 3.726 22.697 ( 17.859 3.338 6.921) 19.442 24.910 ( -5.389 -17.528 -20.361) 27.401 ======================= Grid point 45 (33/231) ======================= q-point: ( 0.46 0.23 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.077 ( 9.946 30.879 27.833) 42.744 6.261 ( 18.236 30.864 11.905) 37.774 7.981 ( -20.239 -10.003 6.785) 23.574 8.525 ( 4.412 -2.796 2.605) 5.836 9.130 ( -28.308 -16.047 -1.272) 32.565 9.637 ( -8.185 7.029 -7.739) 13.278 10.503 ( 8.141 11.813 16.394) 21.785 10.846 ( -2.890 -12.766 -3.556) 13.563 11.274 ( 7.395 0.572 2.605) 7.861 11.737 ( 10.943 3.067 -8.223) 14.027 12.490 ( 11.041 -15.179 -14.576) 23.765 12.586 ( 5.882 -9.106 -2.622) 11.154 12.930 ( 15.845 1.051 7.387) 17.513 13.526 ( -1.695 -9.003 -17.639) 19.876 14.355 ( 7.469 1.257 0.937) 7.632 15.127 ( 20.306 -11.052 -0.389) 23.122 15.529 ( -33.068 0.853 -2.444) 33.170 15.712 ( 3.295 5.400 -5.566) 8.426 15.828 ( -3.578 4.226 2.378) 6.026 16.028 ( -16.805 2.005 -3.622) 17.307 16.666 ( 8.778 -17.835 11.621) 23.025 17.777 ( -10.773 5.310 21.390) 24.531 18.652 ( -1.696 10.852 8.149) 13.677 19.205 ( -11.764 -3.791 -8.802) 15.173 19.492 ( -5.121 12.926 1.391) 13.973 19.906 ( -12.069 2.663 7.539) 14.477 21.813 ( 5.448 3.022 -5.204) 8.118 22.070 ( 0.598 0.830 4.035) 4.163 23.136 ( 25.726 5.959 5.920) 27.062 24.504 ( -8.792 -18.933 -20.507) 29.262 ======================= Grid point 46 (34/231) ======================= q-point: ( 0.54 0.23 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.677 ( 14.573 22.793 21.403) 34.496 6.852 ( 16.321 19.502 5.061) 25.929 7.526 ( -25.802 -6.926 5.077) 27.193 8.238 ( -35.193 -12.554 2.874) 37.476 8.955 ( 13.708 5.295 5.295) 15.620 9.243 ( -18.828 -11.900 -12.687) 25.633 10.601 ( -1.538 -9.549 -3.856) 10.412 10.861 ( 3.288 -4.044 14.764) 15.657 11.616 ( 20.117 13.731 2.504) 24.485 11.790 ( 6.580 -7.582 -21.099) 23.366 12.373 ( 4.971 -10.422 -16.763) 20.355 12.759 ( 16.560 -1.315 12.583) 20.840 13.357 ( 11.797 11.683 1.508) 16.672 13.474 ( 22.318 -0.005 -7.063) 23.409 14.370 ( -9.836 -7.041 0.668) 12.114 14.626 ( -52.699 -1.993 -2.870) 52.815 15.364 ( 20.010 -8.285 0.198) 21.658 15.743 ( -14.274 3.340 -0.039) 14.660 15.880 ( 0.242 6.257 -10.611) 12.321 15.976 ( 13.466 0.319 1.483) 13.552 16.738 ( 9.469 -13.074 7.971) 18.004 17.741 ( -15.056 1.328 23.433) 27.885 18.620 ( -9.530 0.697 -14.837) 17.648 19.047 ( -6.489 9.767 7.200) 13.760 19.510 ( -6.654 9.606 3.577) 12.220 19.794 ( -7.819 -0.197 6.386) 10.098 21.860 ( 2.305 -0.576 -3.079) 3.889 22.135 ( -0.181 5.527 5.225) 7.608 23.676 ( 29.093 6.352 5.092) 30.210 24.042 ( -11.730 -18.595 -19.259) 29.228 ======================= Grid point 47 (35/231) ======================= q-point: (-0.38 0.23 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.682 ( -32.337 -10.582 -1.520) 34.058 7.249 ( 12.367 15.946 14.563) 24.886 7.496 ( -22.511 -2.569 3.133) 22.872 7.613 ( 1.962 10.349 2.266) 10.775 8.812 ( -8.071 -13.386 -8.231) 17.666 9.382 ( 20.789 11.322 7.992) 24.985 10.451 ( -3.705 -8.713 -4.483) 10.476 10.914 ( -0.803 -3.266 11.245) 11.737 11.626 ( 4.393 -14.498 -19.518) 24.707 12.065 ( 19.451 9.113 3.485) 21.760 12.267 ( 0.788 -6.445 -7.692) 10.066 13.187 ( 20.702 1.195 9.431) 22.780 13.289 ( -41.937 -3.563 -5.758) 42.480 13.541 ( -6.114 -1.695 -21.889) 22.790 14.166 ( 24.519 19.260 4.532) 31.506 14.407 ( 2.021 -3.498 13.655) 14.241 15.505 ( -11.818 -2.721 -1.982) 12.288 15.608 ( 12.458 -2.346 1.837) 12.810 15.859 ( 0.233 3.792 -9.930) 10.632 16.182 ( 9.291 -1.843 2.363) 9.763 16.796 ( 5.907 -8.531 3.264) 10.877 17.540 ( -25.475 -3.706 18.369) 31.625 18.337 ( -10.674 1.892 -16.510) 19.751 19.150 ( -1.942 11.825 7.347) 14.056 19.524 ( -2.008 4.534 2.966) 5.778 19.743 ( -2.580 -0.020 6.862) 7.331 21.856 ( 0.911 -1.609 -2.431) 3.054 22.204 ( -2.992 6.633 5.642) 9.207 23.563 ( -13.779 -15.903 -15.946) 26.401 24.234 ( 29.066 5.155 4.164) 29.812 ======================= Grid point 48 (36/231) ======================= q-point: (-0.31 0.23 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.962 ( -42.897 -6.905 -1.279) 43.468 6.757 ( -44.670 -4.412 -0.303) 44.889 7.640 ( 6.603 5.949 7.630) 11.714 8.037 ( 24.221 7.910 -3.456) 25.713 8.755 ( 15.390 -4.217 0.504) 15.965 9.875 ( 21.712 9.199 6.484) 24.456 10.218 ( -16.629 -5.920 -3.507) 17.996 10.912 ( -3.153 -0.889 4.929) 5.918 11.512 ( 7.119 -10.100 -8.750) 15.141 12.074 ( -43.272 -0.151 3.933) 43.450 12.285 ( -16.819 -5.112 -15.097) 23.172 12.488 ( 19.313 5.063 3.873) 20.337 13.444 ( 7.125 -9.992 -4.222) 12.978 13.825 ( 28.864 11.452 1.086) 31.072 14.294 ( 4.562 -7.830 -2.025) 9.285 14.939 ( 21.402 18.668 7.441) 29.358 15.250 ( -14.607 -1.651 -2.336) 14.884 15.759 ( 6.134 2.533 3.350) 7.434 15.915 ( 12.303 -3.907 -5.047) 13.860 16.222 ( -2.116 -5.058 0.990) 5.572 16.825 ( 2.633 -1.812 0.966) 3.339 17.082 ( -32.270 -5.121 5.431) 33.122 18.158 ( -6.730 2.092 -5.775) 9.111 19.238 ( -3.285 8.305 2.432) 9.257 19.565 ( 2.296 0.489 1.606) 2.845 19.801 ( 4.496 0.646 6.051) 7.566 21.837 ( 0.019 -1.036 -1.879) 2.145 22.213 ( -5.351 3.756 3.379) 7.360 23.137 ( -14.656 -9.170 -8.868) 19.430 24.745 ( 26.968 2.817 2.426) 27.223 ======================= Grid point 49 (37/231) ======================= q-point: (-0.23 0.23 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.194 ( -47.291 0.000 0.000) 47.291 5.969 ( -50.375 0.000 0.000) 50.375 7.767 ( 6.997 -0.000 -0.000) 6.997 8.456 ( 21.100 -0.000 -0.000) 21.100 9.121 ( 27.614 -0.000 -0.000) 27.614 9.626 ( -50.378 0.000 0.000) 50.378 10.295 ( 19.878 -0.000 -0.000) 19.878 10.880 ( -0.310 0.000 0.000) 0.310 11.292 ( -28.850 0.000 0.000) 28.850 11.630 ( 9.256 -0.000 -0.000) 9.256 12.240 ( 4.826 -0.000 -0.000) 4.826 12.850 ( 18.491 -0.000 -0.000) 18.491 13.397 ( -2.986 0.000 0.000) 2.986 14.265 ( -0.157 0.000 0.000) 0.157 14.415 ( 28.193 -0.000 -0.000) 28.193 15.003 ( -11.158 0.000 0.000) 11.158 15.249 ( 4.719 -0.000 -0.000) 4.719 15.983 ( -6.691 0.000 0.000) 6.691 16.046 ( 14.395 -0.000 -0.000) 14.395 16.100 ( 5.173 -0.000 -0.000) 5.173 16.578 ( -20.768 0.000 0.000) 20.768 16.884 ( 3.426 -0.000 -0.000) 3.426 18.055 ( -5.973 0.000 0.000) 5.973 19.206 ( -6.944 0.000 0.000) 6.944 19.607 ( 1.674 -0.000 -0.000) 1.674 19.954 ( 10.790 -0.000 -0.000) 10.790 21.822 ( -0.261 0.000 0.000) 0.261 22.152 ( -4.796 0.000 0.000) 4.796 22.828 ( -15.475 0.000 0.000) 15.475 25.175 ( 23.726 -0.000 -0.000) 23.726 ======================= Grid point 56 (38/231) ======================= q-point: ( 0.31 0.31 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.268 ( -0.000 35.502 26.987) 44.594 5.547 ( -0.000 46.416 27.791) 54.100 8.170 ( -0.000 41.071 26.872) 49.081 8.396 ( -0.000 -5.275 12.037) 13.142 8.717 ( 0.000 16.194 -14.033) 21.428 10.170 ( -0.000 -14.336 -0.109) 14.337 11.019 ( -0.000 -11.380 9.228) 14.651 11.056 ( 0.000 -18.704 -9.205) 20.846 11.423 ( -0.000 -7.160 8.164) 10.859 11.923 ( -0.000 -9.644 5.491) 11.097 12.140 ( 0.000 -16.980 -9.390) 19.404 12.341 ( 0.000 1.118 -1.149) 1.603 12.439 ( 0.000 -19.480 -29.980) 35.753 13.911 ( 0.000 9.271 -7.963) 12.222 14.347 ( -0.000 -5.081 2.101) 5.499 14.517 ( 0.000 -11.451 -8.573) 14.305 14.887 ( 0.000 -2.616 -2.612) 3.697 15.648 ( 0.000 13.299 -0.219) 13.301 16.311 ( -0.000 -10.176 5.451) 11.545 16.549 ( -0.000 -20.662 9.969) 22.941 17.372 ( -0.000 7.071 11.402) 13.417 18.057 ( -0.000 6.242 10.462) 12.183 18.491 ( -0.000 14.271 6.463) 15.667 18.996 ( -0.000 -1.030 18.215) 18.244 19.837 ( 0.000 3.811 -23.083) 23.396 20.220 ( -0.000 13.224 9.137) 16.074 21.520 ( 0.000 8.594 -8.788) 12.292 22.055 ( -0.000 -1.987 2.064) 2.865 22.392 ( -0.000 -1.931 6.326) 6.614 24.988 ( 0.000 -18.099 -20.005) 26.977 ======================= Grid point 57 (39/231) ======================= q-point: ( 0.38 0.31 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.773 ( 7.071 28.711 21.963) 36.833 6.091 ( -3.004 42.729 24.908) 49.550 8.318 ( 3.021 -9.942 -3.706) 11.032 8.408 ( -4.713 0.143 14.940) 15.666 9.307 ( 12.370 60.604 13.231) 63.253 9.919 ( -12.253 -18.246 0.344) 21.981 10.810 ( -16.354 -11.596 3.240) 20.308 10.861 ( 3.986 -20.666 -8.279) 22.616 11.301 ( -8.934 -8.410 0.683) 12.289 11.649 ( -6.005 -5.887 -4.810) 9.688 12.147 ( 12.452 -19.978 -20.758) 31.386 12.242 ( 11.051 -9.256 -0.559) 14.427 12.464 ( 11.071 1.284 3.449) 11.667 13.834 ( -7.695 -11.930 -12.389) 18.842 14.186 ( -4.491 8.492 -3.070) 10.085 14.532 ( 13.148 -11.335 -2.480) 17.536 14.998 ( 20.083 -8.341 -6.976) 22.837 15.793 ( -0.023 18.406 -3.941) 18.823 16.229 ( -6.003 -7.202 10.209) 13.861 16.453 ( 2.806 -16.690 10.577) 19.957 17.252 ( -31.469 7.379 7.165) 33.107 18.070 ( -7.932 5.507 13.745) 16.798 18.663 ( 1.915 6.900 7.690) 10.508 19.201 ( 10.525 -1.904 15.581) 18.899 19.676 ( -7.245 7.314 -22.971) 25.173 20.318 ( -8.580 9.659 8.762) 15.610 21.626 ( 4.390 12.826 -5.081) 14.478 22.050 ( 0.445 -2.306 3.022) 3.827 22.500 ( 11.507 -0.319 4.175) 12.246 24.672 ( -2.158 -20.480 -20.192) 28.841 ======================= Grid point 58 (40/231) ======================= q-point: ( 0.46 0.31 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.269 ( 12.096 19.878 15.705) 28.073 6.556 ( -1.658 37.105 20.645) 42.494 8.191 ( -9.170 -7.372 2.468) 12.022 8.485 ( 2.477 5.060 12.270) 13.502 9.435 ( -26.091 -15.712 0.101) 30.457 9.821 ( -11.092 10.470 -6.903) 16.742 10.633 ( 1.897 10.450 15.359) 18.673 10.667 ( 0.964 -17.879 -10.016) 20.517 11.157 ( 4.337 -2.409 -3.119) 5.860 11.557 ( 5.901 -4.682 -19.291) 20.710 12.104 ( 9.739 -10.757 -6.454) 15.881 12.357 ( 11.338 -7.537 5.433) 14.659 12.759 ( 16.243 6.807 9.626) 20.071 13.449 ( -10.490 -12.427 -12.957) 20.793 14.268 ( 4.693 2.224 -1.666) 5.454 14.686 ( 19.670 -7.519 -4.576) 21.550 15.230 ( 25.077 -12.226 -6.434) 28.631 15.891 ( -3.413 12.654 -9.191) 16.008 16.111 ( -11.580 -0.881 12.148) 16.806 16.456 ( 3.141 -9.078 10.250) 14.048 16.661 ( -45.842 3.440 0.848) 45.979 18.100 ( -7.611 4.870 18.736) 20.801 18.745 ( -0.229 1.362 0.142) 1.388 19.311 ( -4.515 -1.945 5.786) 7.593 19.596 ( 1.517 9.973 -9.255) 13.690 20.230 ( -16.150 5.443 7.199) 18.500 21.776 ( 2.408 8.687 -2.006) 9.235 22.093 ( 2.566 3.534 4.462) 6.244 22.808 ( 22.397 2.211 3.331) 22.751 24.303 ( -4.660 -21.101 -19.753) 29.277 ======================= Grid point 59 (41/231) ======================= q-point: ( 0.54 0.31 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.700 ( 14.219 10.123 8.706) 19.505 6.981 ( 3.083 29.100 15.396) 33.066 7.906 ( -22.064 -3.553 5.473) 23.008 8.644 ( -12.575 -0.401 9.411) 15.712 8.890 ( -9.917 -4.986 0.485) 11.111 9.391 ( -22.378 -11.430 -11.381) 27.586 10.479 ( 0.570 -11.236 -8.162) 13.899 10.848 ( 5.304 -4.293 12.283) 14.051 11.392 ( 12.541 -0.170 -11.767) 17.198 11.514 ( 10.506 6.505 -11.893) 17.151 12.147 ( 7.211 -4.045 -5.137) 9.734 12.554 ( 13.668 -4.575 13.105) 19.480 13.095 ( 9.951 -5.349 -16.854) 20.291 13.357 ( 13.869 17.800 13.807) 26.454 14.306 ( 3.975 -8.940 2.036) 9.994 14.935 ( 20.136 -3.683 -6.819) 21.576 15.504 ( 21.492 -9.357 -4.236) 23.820 15.566 ( -45.226 -1.009 -0.413) 45.239 16.012 ( -9.664 8.115 -0.566) 12.632 16.051 ( -18.166 1.634 -0.155) 18.240 16.556 ( 7.014 -5.581 6.532) 11.091 18.109 ( -10.940 2.434 21.403) 24.160 18.648 ( -6.001 -1.667 -14.982) 16.225 19.263 ( -5.622 5.777 7.197) 10.806 19.665 ( -0.267 4.738 -0.386) 4.761 20.021 ( -16.777 1.902 4.261) 17.414 21.826 ( 0.354 1.029 -0.936) 1.435 22.240 ( 1.585 10.603 6.698) 12.641 23.273 ( 28.813 3.249 2.693) 29.121 23.906 ( -7.243 -19.049 -17.498) 26.861 ======================= Grid point 60 (42/231) ======================= q-point: (-0.38 0.31 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.928 ( -1.944 -0.550 0.840) 2.188 7.365 ( 6.578 16.741 12.109) 21.683 7.580 ( -12.826 2.609 1.308) 13.154 8.096 ( -35.657 -5.255 2.246) 36.113 8.835 ( -15.409 -11.538 -7.624) 20.705 9.195 ( 15.959 6.618 4.818) 17.936 10.383 ( 0.727 -5.291 -3.745) 6.523 10.965 ( 3.700 -1.682 14.968) 15.510 11.277 ( 4.457 -10.411 -23.597) 26.174 11.860 ( 17.018 7.357 2.270) 18.678 12.171 ( 2.490 -2.414 -3.110) 4.658 12.878 ( 20.886 -2.449 13.253) 24.857 13.103 ( 12.851 -2.076 -17.838) 22.083 13.966 ( 15.861 22.818 3.854) 28.055 14.251 ( -7.483 -10.121 5.331) 13.669 14.606 ( -49.945 0.213 2.958) 50.033 15.170 ( 18.790 -6.759 -6.972) 21.151 15.763 ( 6.483 -3.084 3.233) 7.873 15.857 ( -8.179 2.567 -4.666) 9.760 15.986 ( 5.223 0.428 -0.586) 5.273 16.653 ( 6.497 -3.034 2.337) 7.542 18.002 ( -19.866 -0.692 17.078) 26.207 18.409 ( -8.560 0.491 -15.498) 17.711 19.299 ( -2.110 5.217 4.995) 7.524 19.656 ( -5.911 2.895 1.384) 6.726 19.829 ( -7.914 -0.816 1.755) 8.147 21.826 ( 0.381 -0.586 -0.708) 0.995 22.367 ( -2.727 8.370 5.940) 10.619 23.526 ( -9.004 -12.240 -11.364) 18.974 23.804 ( 30.274 2.155 1.668) 30.396 ======================= Grid point 61 (43/231) ======================= q-point: (-0.31 0.31 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.568 ( -34.848 0.000 0.000) 34.848 7.373 ( -29.753 0.000 0.000) 29.753 7.665 ( -4.533 0.000 0.000) 4.533 7.716 ( 17.897 -0.000 -0.000) 17.897 8.589 ( -1.269 0.000 0.000) 1.269 9.570 ( 22.356 -0.000 -0.000) 22.356 10.331 ( -3.752 0.000 0.000) 3.752 11.015 ( -6.034 0.000 0.000) 6.034 11.249 ( 11.720 -0.000 -0.000) 11.720 12.169 ( 0.687 -0.000 -0.000) 0.687 12.199 ( 19.917 -0.000 -0.000) 19.917 13.188 ( -40.787 0.000 0.000) 40.787 13.237 ( 11.790 -0.000 -0.000) 11.790 13.424 ( -0.902 0.000 0.000) 0.902 14.225 ( 1.026 -0.000 -0.000) 1.026 14.705 ( 23.331 -0.000 -0.000) 23.331 15.356 ( 7.851 -0.000 -0.000) 7.851 15.645 ( -5.813 0.000 0.000) 5.813 15.825 ( 0.075 -0.000 -0.000) 0.075 16.156 ( 9.303 -0.000 -0.000) 9.303 16.740 ( 5.503 -0.000 -0.000) 5.503 17.621 ( -31.365 0.000 0.000) 31.365 18.253 ( -6.556 0.000 0.000) 6.556 19.318 ( -1.258 0.000 0.000) 1.258 19.577 ( -3.681 0.000 0.000) 3.681 19.782 ( 0.190 -0.000 -0.000) 0.190 21.826 ( 0.298 -0.000 -0.000) 0.298 22.350 ( -6.201 0.000 0.000) 6.201 23.266 ( -11.345 0.000 0.000) 11.345 24.308 ( 29.610 -0.000 -0.000) 29.610 ======================= Grid point 70 (44/231) ======================= q-point: ( 0.38 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.063 ( -0.000 21.548 15.245) 26.395 6.646 ( -0.000 38.357 22.812) 44.628 8.202 ( 0.000 -5.285 -1.407) 5.469 8.565 ( -0.000 3.734 17.335) 17.732 9.849 ( 0.000 58.247 7.228) 58.694 9.852 ( -0.000 -17.652 1.361) 17.705 10.598 ( 0.000 -18.853 -5.848) 19.739 10.911 ( -0.000 -8.656 8.080) 11.841 11.224 ( 0.000 -17.480 -7.435) 18.996 11.421 ( 0.000 -24.210 -39.374) 46.221 11.803 ( -0.000 -9.748 3.400) 10.324 12.178 ( -0.000 3.451 12.724) 13.184 12.441 ( -0.000 5.282 8.425) 9.944 13.722 ( 0.000 -11.858 -15.844) 19.790 14.244 ( 0.000 -4.839 -2.000) 5.236 14.364 ( 0.000 0.419 -1.436) 1.496 14.610 ( 0.000 -15.729 -13.200) 20.534 15.923 ( 0.000 15.374 -7.571) 17.137 16.321 ( -0.000 -1.394 16.016) 16.076 16.344 ( -0.000 -12.483 8.418) 15.057 17.691 ( -0.000 10.180 12.597) 16.196 18.225 ( -0.000 0.576 7.064) 7.088 18.690 ( -0.000 2.222 0.735) 2.340 19.188 ( -0.000 -3.511 20.614) 20.911 19.656 ( 0.000 7.236 -24.226) 25.284 20.534 ( -0.000 9.594 6.913) 11.825 21.736 ( 0.000 18.850 0.993) 18.876 22.034 ( -0.000 -3.152 2.740) 4.176 22.407 ( -0.000 -1.326 1.836) 2.264 24.372 ( 0.000 -21.999 -19.196) 29.197 ======================= Grid point 71 (45/231) ======================= q-point: ( 0.46 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.344 ( 6.143 12.802 8.545) 16.573 7.058 ( -4.055 31.289 18.293) 36.470 8.198 ( 1.425 -0.660 2.166) 2.675 8.668 ( -4.621 5.032 15.722) 17.142 9.626 ( -12.429 -12.449 3.520) 17.940 10.144 ( -19.592 15.208 -11.268) 27.241 10.404 ( 0.886 -18.906 -3.679) 19.281 10.812 ( -6.155 -0.732 -0.904) 6.264 11.006 ( 7.694 2.311 -10.501) 13.221 11.215 ( 12.036 -10.490 -12.451) 20.247 11.824 ( 11.142 -12.243 -0.719) 16.570 12.317 ( -0.237 6.191 16.196) 17.341 12.665 ( 10.900 8.680 9.754) 17.009 13.419 ( -8.012 -13.238 -11.838) 19.483 14.225 ( -3.609 -6.701 -6.390) 9.938 14.334 ( 15.315 1.140 -4.963) 16.139 14.655 ( 21.799 -14.644 -6.889) 27.149 15.977 ( -1.532 7.649 -6.432) 10.111 16.277 ( -2.831 -4.954 6.904) 8.957 16.422 ( 0.209 1.739 11.777) 11.907 17.458 ( -40.285 5.659 4.919) 40.977 18.299 ( 0.236 2.309 12.919) 13.126 18.709 ( 1.588 -2.321 -4.614) 5.404 19.342 ( 5.921 -5.012 19.779) 21.246 19.575 ( -0.534 9.507 -22.034) 24.003 20.551 ( -11.212 5.801 5.162) 13.639 21.880 ( -4.019 9.826 1.751) 10.759 22.097 ( 6.274 6.759 4.810) 10.400 22.525 ( 14.426 -0.164 1.120) 14.470 24.048 ( -1.918 -20.608 -16.881) 26.708 ======================= Grid point 72 (46/231) ======================= q-point: ( 0.54 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.599 ( 10.824 5.113 3.375) 12.438 7.317 ( -3.827 19.296 10.986) 22.532 8.179 ( -8.796 0.306 3.300) 9.400 8.726 ( 0.682 2.607 7.720) 8.177 9.233 ( -28.539 -5.912 2.064) 29.218 9.647 ( -27.257 -6.173 -5.889) 28.561 10.298 ( 3.816 -7.883 -7.083) 11.263 10.680 ( 8.422 -9.465 -7.368) 14.656 11.200 ( 3.520 -3.325 -3.497) 5.973 11.418 ( 12.034 18.292 -0.196) 21.896 11.915 ( 14.048 -8.824 -2.102) 16.722 12.485 ( 3.137 3.855 17.287) 17.987 12.837 ( 4.460 -4.872 -15.258) 16.627 13.381 ( 11.425 10.831 12.152) 19.888 14.109 ( 4.862 -12.569 -5.744) 14.650 14.620 ( 15.550 6.344 -6.097) 17.867 14.892 ( 29.647 -13.682 -1.737) 32.698 15.941 ( -6.133 2.446 -2.406) 7.028 16.218 ( -6.319 0.061 2.978) 6.986 16.494 ( 1.179 0.773 5.328) 5.511 16.726 ( -53.142 2.014 0.060) 53.181 18.373 ( -4.886 1.900 16.564) 17.374 18.619 ( -3.292 -2.270 -13.004) 13.605 19.413 ( -3.800 0.240 8.250) 9.086 19.617 ( 6.991 3.288 -6.833) 10.314 20.363 ( -18.525 2.161 2.577) 18.828 21.859 ( -3.286 1.123 0.299) 3.485 22.329 ( 5.150 10.402 5.546) 12.865 22.861 ( 25.091 0.801 0.938) 25.121 23.747 ( -4.124 -14.024 -11.375) 18.522 ======================= Grid point 73 (47/231) ======================= q-point: (-0.38 -0.62 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.821 ( 11.899 -0.000 -0.000) 11.899 7.417 ( 1.034 -0.000 -0.000) 1.034 7.929 ( -21.969 0.000 0.000) 21.969 8.635 ( -32.492 0.000 0.000) 32.492 8.881 ( 3.763 -0.000 -0.000) 3.763 9.215 ( -18.166 0.000 0.000) 18.166 10.304 ( 3.662 -0.000 -0.000) 3.662 10.819 ( 14.405 -0.000 -0.000) 14.405 11.170 ( -2.251 0.000 0.000) 2.251 11.679 ( 11.566 -0.000 -0.000) 11.566 12.069 ( 8.748 -0.000 -0.000) 8.748 12.665 ( 9.748 -0.000 -0.000) 9.748 12.833 ( 10.006 -0.000 -0.000) 10.006 13.821 ( 21.600 -0.000 -0.000) 21.600 14.104 ( 6.721 -0.000 -0.000) 6.721 14.848 ( 14.351 -0.000 -0.000) 14.351 15.341 ( 31.448 -0.000 -0.000) 31.448 15.575 ( -52.042 0.000 0.000) 52.042 16.065 ( -16.013 0.000 0.000) 16.013 16.081 ( -12.109 0.000 0.000) 12.109 16.558 ( 4.624 -0.000 -0.000) 4.624 18.328 ( -12.116 0.000 0.000) 12.116 18.461 ( -5.859 0.000 0.000) 5.859 19.380 ( -3.298 0.000 0.000) 3.298 19.694 ( 2.274 -0.000 -0.000) 2.274 20.066 ( -18.908 0.000 0.000) 18.908 21.827 ( -1.158 0.000 0.000) 1.158 22.453 ( 0.879 -0.000 -0.000) 0.879 23.318 ( 29.422 -0.000 -0.000) 29.422 23.558 ( -5.880 0.000 0.000) 5.880 ======================= Grid point 85 (48/231) ======================= q-point: ( 0.46 0.46 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.415 ( -0.000 5.768 3.459) 6.726 7.421 ( -0.000 18.944 10.783) 21.798 8.206 ( -0.000 1.603 2.884) 3.300 8.827 ( -0.000 2.503 9.512) 9.836 9.677 ( -0.000 -4.805 8.077) 9.398 10.202 ( 0.000 -4.395 -9.209) 10.204 10.554 ( 0.000 5.288 -0.277) 5.296 10.573 ( 0.000 -15.246 -26.627) 30.683 10.844 ( 0.000 -11.036 -6.160) 12.639 11.150 ( -0.000 20.835 13.234) 24.682 11.594 ( -0.000 -14.836 -2.362) 15.023 12.532 ( -0.000 10.535 14.542) 17.957 12.711 ( -0.000 7.551 10.877) 13.241 13.278 ( 0.000 -12.404 -13.907) 18.635 14.100 ( 0.000 -9.610 -12.557) 15.813 14.179 ( -0.000 -6.401 -0.383) 6.412 14.379 ( 0.000 0.932 -0.249) 0.964 16.011 ( 0.000 3.291 -3.172) 4.571 16.268 ( -0.000 -3.666 3.049) 4.768 16.528 ( -0.000 3.751 7.081) 8.013 17.982 ( -0.000 6.042 7.237) 9.428 18.265 ( -0.000 -1.279 2.388) 2.709 18.645 ( 0.000 -2.662 -2.848) 3.898 19.331 ( -0.000 -4.234 14.535) 15.139 19.541 ( 0.000 6.278 -16.035) 17.220 20.717 ( -0.000 3.545 2.585) 4.387 22.012 ( -0.000 -1.539 1.379) 2.066 22.132 ( -0.000 14.096 4.957) 14.943 22.399 ( -0.000 -0.454 0.045) 0.457 23.811 ( 0.000 -14.249 -10.726) 17.835 ======================= Grid point 86 (49/231) ======================= q-point: (-0.46 -0.54 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.497 ( 5.768 -0.000 -0.000) 5.768 7.513 ( -3.750 0.000 0.000) 3.750 8.239 ( 0.884 -0.000 -0.000) 0.884 8.815 ( -5.274 0.000 0.000) 5.274 9.578 ( -14.483 0.000 0.000) 14.483 10.109 ( -34.422 0.000 0.000) 34.422 10.177 ( 3.020 -0.000 -0.000) 3.020 10.457 ( 6.114 -0.000 -0.000) 6.114 11.060 ( 13.403 -0.000 -0.000) 13.403 11.426 ( 4.286 -0.000 -0.000) 4.286 11.554 ( 16.220 -0.000 -0.000) 16.220 12.660 ( 2.048 -0.000 -0.000) 2.048 12.694 ( -8.254 0.000 0.000) 8.254 13.268 ( 11.500 -0.000 -0.000) 11.500 13.980 ( -0.890 0.000 0.000) 0.890 14.354 ( 22.637 -0.000 -0.000) 22.637 14.468 ( 9.129 -0.000 -0.000) 9.129 16.002 ( -1.896 0.000 0.000) 1.896 16.261 ( -0.201 0.000 0.000) 0.201 16.544 ( -2.539 0.000 0.000) 2.539 17.544 ( -44.169 0.000 0.000) 44.169 18.437 ( 6.839 -0.000 -0.000) 6.839 18.601 ( -2.411 0.000 0.000) 2.411 19.452 ( 10.030 -0.000 -0.000) 10.030 19.498 ( -2.748 0.000 0.000) 2.748 20.638 ( -12.126 0.000 0.000) 12.126 21.943 ( -5.747 0.000 0.000) 5.747 22.298 ( 7.152 -0.000 -0.000) 7.152 22.528 ( 15.627 -0.000 -0.000) 15.627 23.690 ( -2.023 0.000 0.000) 2.023 ======================= Grid point 187 (50/231) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -0.000 0.000 59.987) 59.987 1.067 ( -0.000 0.000 59.987) 59.987 1.922 ( -0.000 0.000 107.647) 107.647 9.002 ( 0.000 -0.000 -0.059) 0.059 10.609 ( 0.000 -0.000 -27.213) 27.213 10.609 ( 0.000 -0.000 -27.213) 27.213 11.521 ( -0.000 0.000 11.212) 11.212 11.521 ( -0.000 0.000 11.212) 11.212 12.144 ( 0.000 -0.000 -9.254) 9.254 12.466 ( 0.000 -0.000 -11.273) 11.273 12.466 ( 0.000 -0.000 -11.273) 11.273 13.017 ( -0.000 0.000 14.342) 14.342 13.017 ( -0.000 0.000 14.342) 14.342 13.278 ( -0.000 0.000 20.886) 20.886 13.278 ( -0.000 0.000 20.886) 20.886 14.688 ( -0.000 0.000 2.400) 2.400 15.361 ( 0.000 -0.000 -11.707) 11.707 16.769 ( 0.000 -0.000 -4.917) 4.917 16.769 ( 0.000 -0.000 -4.917) 4.917 16.870 ( 0.000 -0.000 -2.624) 2.624 16.870 ( 0.000 0.000 -2.624) 2.624 17.615 ( 0.000 -0.000 -5.796) 5.796 18.569 ( -0.000 0.000 5.689) 5.689 18.569 ( -0.000 0.000 5.689) 5.689 18.853 ( -0.000 0.000 2.974) 2.974 20.156 ( 0.000 -0.000 -10.297) 10.297 21.974 ( 0.000 -0.000 -4.522) 4.522 21.974 ( 0.000 -0.000 -4.522) 4.522 22.149 ( -0.000 0.000 16.113) 16.113 25.497 ( 0.000 -0.000 -2.784) 2.784 ======================= Grid point 188 (51/231) ======================= q-point: ( 0.15 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 33.213 19.175 42.754) 57.434 1.978 ( 32.508 18.768 53.007) 64.952 3.181 ( 56.733 32.755 80.082) 103.463 8.907 ( -8.666 -5.003 -0.108) 10.007 10.383 ( -3.721 -2.148 -33.801) 34.073 10.406 ( -4.334 -2.502 -23.265) 23.798 11.277 ( -14.084 -8.131 10.366) 19.286 11.646 ( -7.409 -4.278 14.883) 17.167 12.191 ( -5.052 -2.917 1.275) 5.971 12.267 ( -3.031 -1.750 -11.783) 12.292 12.402 ( -6.246 -3.606 2.103) 7.513 12.781 ( -10.934 -6.313 10.947) 16.710 12.953 ( -6.506 -3.756 10.050) 12.547 13.431 ( 11.647 6.724 20.682) 24.670 13.658 ( 15.981 9.227 23.125) 29.586 14.602 ( -2.616 -1.510 23.785) 23.976 15.229 ( -4.441 -2.564 -14.194) 15.092 16.648 ( -10.821 -6.248 -5.577) 13.683 16.709 ( -2.642 -1.525 -11.335) 11.738 16.836 ( 0.803 0.464 -4.386) 4.483 17.056 ( 9.459 5.461 -3.668) 11.522 17.506 ( -6.459 -3.729 -5.603) 9.328 18.219 ( -21.656 -12.503 8.588) 26.440 18.646 ( 2.106 1.216 7.660) 8.037 19.116 ( 13.391 7.731 4.548) 16.117 20.119 ( 2.265 1.308 -12.151) 12.429 21.932 ( 0.665 0.384 -7.087) 7.129 21.966 ( 1.429 0.825 -5.326) 5.576 22.243 ( -0.747 -0.431 19.190) 19.209 25.739 ( 12.715 7.341 -21.182) 25.773 ======================= Grid point 189 (52/231) ======================= q-point: ( 0.23 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( 42.223 24.378 29.157) 56.808 2.989 ( 33.834 19.534 47.914) 61.823 5.000 ( 71.457 41.256 56.532) 100.020 8.651 ( -14.170 -8.181 -0.040) 16.362 10.069 ( -7.566 -4.368 -30.979) 32.187 10.159 ( -7.283 -4.205 -18.455) 20.281 11.068 ( -10.892 -6.288 9.931) 16.025 11.486 ( -19.988 -11.540 22.383) 32.151 11.700 ( -26.396 -15.240 7.797) 31.461 12.184 ( 1.768 1.021 -12.808) 12.970 12.489 ( 0.125 0.072 4.116) 4.118 12.778 ( 10.675 6.163 -4.578) 13.150 13.090 ( 11.315 6.533 -2.687) 13.339 13.788 ( 10.643 6.145 16.269) 20.389 14.090 ( 9.576 5.528 19.746) 22.631 14.742 ( 1.879 1.085 19.938) 20.056 15.074 ( -0.449 -0.259 -10.504) 10.517 16.308 ( -17.274 -9.973 -5.982) 20.824 16.555 ( -5.502 -3.176 -7.351) 9.716 16.764 ( -4.835 -2.792 -11.045) 12.376 17.217 ( 7.960 4.596 -1.853) 9.377 17.328 ( -7.316 -4.224 2.924) 8.940 17.846 ( -17.882 -10.324 9.292) 22.643 18.721 ( 0.103 0.060 8.452) 8.453 19.402 ( 10.256 5.921 4.120) 12.538 20.074 ( -0.363 -0.209 -13.751) 13.758 21.938 ( 4.508 2.603 -8.393) 9.876 21.970 ( 1.814 1.047 -5.356) 5.751 22.359 ( 1.239 0.715 20.273) 20.324 25.732 ( -0.416 -0.240 -20.393) 20.398 ======================= Grid point 190 (53/231) ======================= q-point: ( 0.31 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.872 ( 43.592 25.168 21.180) 54.611 3.991 ( 34.772 20.076 41.132) 57.480 6.837 ( 70.867 40.915 42.776) 92.336 8.344 ( -14.209 -8.204 2.125) 16.545 9.686 ( -12.909 -7.453 -23.901) 28.168 9.856 ( -13.469 -7.776 -12.196) 19.764 10.900 ( -33.882 -19.562 7.878) 39.909 10.929 ( -6.589 -3.804 6.448) 9.973 11.458 ( -10.158 -5.865 16.619) 20.341 12.178 ( 4.212 2.432 -12.343) 13.267 12.498 ( -1.523 -0.880 10.222) 10.372 13.000 ( 11.170 6.449 -12.110) 17.693 13.347 ( 15.815 9.131 -6.568) 19.407 13.904 ( -3.775 -2.179 -13.961) 14.626 14.375 ( 7.152 4.129 32.093) 33.138 14.884 ( 3.776 2.180 6.044) 7.452 15.156 ( 9.446 5.454 -3.113) 11.343 15.838 ( -23.321 -13.464 -5.026) 27.394 16.423 ( -4.577 -2.643 0.844) 5.352 16.477 ( -11.934 -6.890 -19.395) 23.792 17.281 ( -2.516 -1.452 15.279) 15.552 17.395 ( 9.235 5.332 0.004) 10.664 17.560 ( -14.073 -8.125 10.471) 19.332 18.752 ( -1.571 -0.907 8.963) 9.144 19.590 ( 4.857 2.804 4.140) 6.970 19.904 ( -7.829 -4.520 -15.361) 17.824 21.979 ( 1.819 1.050 -4.774) 5.215 22.013 ( 5.541 3.199 -5.984) 8.761 22.574 ( 9.288 5.362 17.450) 20.482 25.518 ( -8.051 -4.649 -19.541) 21.640 ======================= Grid point 191 (54/231) ======================= q-point: ( 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.907 ( 42.474 24.522 15.348) 51.390 4.962 ( 34.545 19.945 34.793) 52.931 8.070 ( -14.193 -8.195 5.204) 17.196 8.461 ( 55.654 32.132 28.416) 70.266 9.264 ( -13.487 -7.787 -16.873) 22.962 9.376 ( -26.151 -15.099 -5.466) 30.688 10.348 ( -16.180 -9.342 3.744) 19.055 10.855 ( -3.054 -1.763 3.070) 4.675 11.353 ( -9.185 -5.303 16.958) 20.001 12.201 ( 3.764 2.173 -10.274) 11.155 12.560 ( 1.292 0.746 11.210) 11.309 13.099 ( 5.571 3.216 -9.614) 11.568 13.602 ( -10.235 -5.909 -25.040) 27.689 13.689 ( 20.236 11.683 -12.021) 26.277 14.730 ( 5.097 2.943 33.880) 34.388 14.978 ( 5.533 3.195 -6.716) 9.270 15.055 ( -26.849 -15.501 -10.587) 32.761 15.486 ( 3.348 1.933 -5.003) 6.323 16.110 ( -10.339 -5.969 -17.295) 21.015 16.351 ( -4.770 -2.754 5.289) 7.636 17.360 ( -1.381 -0.797 22.639) 22.695 17.366 ( -10.430 -6.022 14.725) 19.023 17.630 ( 12.355 7.133 0.474) 14.274 18.783 ( -0.564 -0.326 10.924) 10.943 19.565 ( -13.851 -7.997 -18.249) 24.266 19.658 ( -1.000 -0.577 5.059) 5.189 21.991 ( 1.790 1.033 -4.174) 4.657 22.075 ( 2.131 1.230 -1.558) 2.913 22.975 ( 19.315 11.151 12.503) 25.568 25.168 ( -13.523 -7.808 -19.652) 25.101 ======================= Grid point 192 (55/231) ======================= q-point: ( 0.46 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.874 ( 40.419 23.336 10.438) 47.824 5.879 ( 33.072 19.094 28.992) 47.946 7.711 ( -23.498 -13.567 2.973) 27.296 8.531 ( -39.281 -22.679 1.774) 45.392 9.012 ( -1.505 -0.869 -6.406) 6.638 9.328 ( 3.158 1.823 -6.052) 7.066 10.585 ( 32.342 18.672 21.947) 43.317 10.824 ( -1.129 -0.652 0.703) 1.481 11.280 ( -3.861 -2.229 12.361) 13.141 12.191 ( -0.713 -0.412 -7.396) 7.441 12.675 ( 3.304 1.908 11.008) 11.651 13.208 ( 10.056 5.806 -4.610) 12.493 13.248 ( -7.262 -4.193 -27.140) 28.406 14.034 ( 18.481 10.670 -15.071) 26.126 14.177 ( -42.537 -24.559 -13.423) 50.918 14.965 ( -1.782 -1.029 21.554) 21.652 15.059 ( 7.485 4.321 -12.113) 14.880 15.546 ( 3.605 2.081 -13.029) 13.678 15.901 ( -2.121 -1.224 -2.204) 3.294 16.253 ( -7.230 -4.174 5.513) 10.004 17.277 ( -6.347 -3.664 13.941) 15.750 17.455 ( -3.926 -2.267 25.358) 25.760 17.931 ( 14.347 8.283 2.623) 16.773 18.837 ( -4.901 -2.830 13.236) 14.395 19.161 ( -8.155 -4.709 -20.778) 22.812 19.622 ( -5.284 -3.051 7.707) 9.830 22.006 ( 1.726 0.997 -3.851) 4.336 22.090 ( -0.272 -0.157 0.211) 0.378 23.518 ( 24.380 14.076 9.708) 29.778 24.713 ( -17.697 -10.217 -19.795) 28.450 ======================= Grid point 193 (56/231) ======================= q-point: ( 0.54 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.709 ( 29.216 16.868 23.066) 40.867 6.731 ( 27.274 15.747 4.367) 31.795 7.125 ( -22.658 -13.082 0.006) 26.163 7.638 ( -43.167 -24.922 0.752) 49.850 9.124 ( 11.172 6.450 3.603) 13.393 9.146 ( -8.963 -5.175 -7.840) 12.984 10.799 ( -1.632 -0.943 -1.473) 2.392 11.050 ( -3.336 -1.926 12.732) 13.302 11.699 ( 31.689 18.296 10.029) 37.941 12.029 ( -13.365 -7.716 -4.977) 16.216 12.884 ( 13.887 8.018 5.264) 16.877 12.953 ( -14.696 -8.484 -20.496) 26.609 13.193 ( -27.750 -16.022 -22.923) 39.399 13.501 ( 16.088 9.288 8.027) 20.237 14.275 ( 11.749 6.783 -14.921) 20.167 14.906 ( -9.937 -5.737 4.673) 12.389 15.165 ( 10.563 6.099 -16.448) 20.477 15.501 ( 0.189 0.109 -10.458) 10.460 15.982 ( 4.631 2.674 12.548) 13.640 16.132 ( -7.063 -4.078 7.174) 10.862 17.230 ( -5.432 -3.136 11.564) 13.155 17.445 ( -10.754 -6.209 20.241) 23.747 18.241 ( 12.748 7.360 -0.328) 14.724 18.543 ( -16.702 -9.643 -6.955) 20.502 19.191 ( 9.195 5.308 2.686) 10.952 19.564 ( -4.498 -2.597 13.390) 14.362 22.018 ( 1.528 0.882 -4.001) 4.372 22.072 ( -1.255 -0.724 -0.111) 1.453 24.110 ( 25.257 14.582 8.160) 30.285 24.184 ( -20.563 -11.872 -19.242) 30.562 ======================= Grid point 194 (57/231) ======================= q-point: (-0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.210 ( -39.945 -23.062 -3.700) 46.273 6.697 ( -44.885 -25.914 1.239) 51.843 7.369 ( 20.628 11.910 14.247) 27.755 7.667 ( 37.073 21.404 1.640) 42.840 9.012 ( 1.521 0.878 -1.252) 2.156 9.456 ( 14.287 8.249 8.741) 18.671 10.655 ( -15.381 -8.880 -6.709) 18.986 10.999 ( -5.302 -3.061 8.201) 10.234 11.421 ( -35.260 -20.358 -3.873) 40.899 12.217 ( 13.504 7.796 3.095) 15.897 12.366 ( -12.314 -7.110 -17.501) 22.549 12.974 ( 4.023 2.323 -21.041) 21.548 13.341 ( 24.843 14.343 -5.165) 29.148 13.933 ( 14.944 8.628 9.021) 19.472 14.407 ( 8.675 5.008 1.701) 10.160 14.652 ( -13.541 -7.818 -1.365) 15.695 15.343 ( 17.608 10.166 -23.417) 31.012 15.456 ( -0.685 -0.396 -3.357) 3.449 16.018 ( -8.524 -4.921 6.799) 11.962 16.174 ( 4.407 2.545 15.117) 15.950 17.178 ( -5.415 -3.126 11.304) 12.918 17.208 ( -16.548 -9.554 3.240) 19.381 18.222 ( -10.818 -6.246 0.829) 12.519 18.435 ( 6.557 3.786 -4.794) 8.962 19.425 ( 8.582 4.955 7.141) 12.215 19.641 ( 3.161 1.825 19.347) 19.688 22.022 ( 1.146 0.662 -4.766) 4.946 22.039 ( -1.344 -0.776 -1.436) 2.115 23.616 ( -21.838 -12.608 -17.405) 30.640 24.682 ( 23.619 13.636 6.709) 28.086 ======================= Grid point 195 (58/231) ======================= q-point: (-0.31 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.278 ( -44.396 -25.632 -3.202) 51.364 5.714 ( -47.413 -27.374 1.481) 54.768 7.759 ( 11.733 6.774 5.380) 14.578 8.387 ( 24.798 14.317 -6.488) 29.360 9.244 ( 17.185 9.922 7.844) 21.338 9.463 ( -38.062 -21.975 1.807) 43.987 10.118 ( 2.282 1.318 -2.326) 3.515 10.941 ( -3.911 -2.258 6.526) 7.936 11.021 ( -4.646 -2.682 -0.497) 5.388 12.156 ( -1.444 -0.834 -13.532) 13.634 12.437 ( 7.027 4.057 3.144) 8.702 12.974 ( 5.872 3.390 -17.824) 19.070 13.687 ( 10.539 6.085 -23.164) 26.166 14.121 ( 5.399 3.117 7.296) 9.596 14.340 ( -14.871 -8.586 1.104) 17.207 14.823 ( 19.552 11.288 17.589) 28.619 15.386 ( -7.538 -4.352 1.768) 8.882 15.609 ( 13.113 7.571 -30.118) 33.710 15.854 ( -1.632 -0.942 6.021) 6.309 16.297 ( -0.693 -0.400 10.535) 10.565 16.921 ( -4.444 -2.566 -8.252) 9.717 17.150 ( -3.908 -2.256 13.991) 14.701 18.052 ( -9.133 -5.273 9.925) 14.482 18.500 ( 2.960 1.709 -3.900) 5.186 19.610 ( 4.152 2.397 7.443) 8.853 19.900 ( 9.016 5.206 19.067) 21.725 22.001 ( -0.822 -0.475 -3.182) 3.321 22.009 ( 0.634 0.366 -6.232) 6.275 23.059 ( -21.000 -12.125 -13.606) 27.805 25.193 ( 20.518 11.846 4.953) 24.204 ======================= Grid point 196 (59/231) ======================= q-point: (-0.23 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.279 ( -47.268 -27.290 -0.358) 54.582 4.676 ( -50.449 -29.127 2.942) 58.328 7.662 ( -72.546 -41.885 -12.924) 84.760 8.027 ( 12.560 7.251 2.279) 14.681 9.362 ( 26.907 15.535 -5.581) 31.567 9.750 ( 22.771 13.147 10.985) 28.497 10.448 ( 16.685 9.633 6.734) 20.409 10.914 ( -2.047 -1.182 6.573) 6.985 11.007 ( 2.422 1.398 0.427) 2.829 12.098 ( 1.937 1.119 -9.233) 9.500 12.589 ( 4.361 2.518 7.828) 9.307 12.990 ( 5.002 2.888 -18.167) 19.063 13.558 ( -4.043 -2.334 -27.638) 28.029 14.048 ( -14.675 -8.473 8.502) 18.959 14.314 ( 1.699 0.981 11.815) 11.976 15.073 ( -21.470 -12.396 -0.893) 24.807 15.196 ( 0.386 0.223 -11.568) 11.577 15.450 ( 7.586 4.380 -1.349) 8.863 16.250 ( 26.956 15.563 -8.041) 32.148 16.356 ( 4.325 2.497 5.970) 7.784 16.956 ( 9.162 5.290 -6.035) 12.180 17.165 ( -3.424 -1.977 16.542) 17.008 17.918 ( -9.793 -5.654 12.646) 16.964 18.541 ( 2.390 1.380 -1.239) 3.025 19.676 ( -1.966 -1.135 6.280) 6.677 20.196 ( 8.218 4.745 14.030) 16.938 21.968 ( 0.073 0.042 -4.948) 4.949 21.974 ( 0.134 0.078 -7.929) 7.931 22.581 ( -17.109 -9.878 -7.053) 20.977 25.616 ( 16.657 9.617 2.707) 19.423 ======================= Grid point 197 (60/231) ======================= q-point: (-0.15 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.257 ( -49.170 -28.389 6.689) 57.170 3.588 ( -53.168 -30.697 6.538) 61.741 5.872 ( -85.305 -49.251 -8.037) 98.829 8.342 ( 15.217 8.786 1.774) 17.661 9.925 ( 28.588 16.505 -12.113) 35.163 10.289 ( 21.145 12.208 6.617) 25.297 10.767 ( 8.366 4.830 4.029) 10.466 10.947 ( 1.037 0.599 11.484) 11.546 11.147 ( 9.516 5.494 4.541) 11.890 12.131 ( 4.819 2.782 -3.841) 6.761 12.717 ( 1.123 0.648 15.069) 15.124 12.961 ( 2.725 1.573 -18.962) 19.221 13.282 ( -6.215 -3.588 -25.021) 26.030 13.801 ( -16.371 -9.452 17.081) 25.478 14.114 ( -21.525 -12.428 -7.063) 25.839 14.562 ( -21.924 -12.658 -2.663) 25.455 15.097 ( 4.689 2.707 -5.600) 7.789 15.840 ( 21.562 12.449 -3.781) 25.184 16.547 ( 8.278 4.779 7.324) 12.042 16.741 ( 21.367 12.336 -9.653) 26.494 17.168 ( 12.603 7.277 -4.252) 15.162 17.203 ( -1.780 -1.028 18.261) 18.376 17.785 ( -8.470 -4.890 10.823) 14.587 18.579 ( 1.086 0.627 0.385) 1.311 19.598 ( -8.221 -4.746 4.452) 10.485 20.374 ( 2.306 1.331 5.206) 5.847 21.933 ( 0.489 0.282 -5.937) 5.964 21.947 ( 1.070 0.618 -6.360) 6.478 22.265 ( -10.286 -5.939 -0.058) 11.878 25.936 ( 12.472 7.201 -0.703) 14.419 ======================= Grid point 198 (61/231) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -49.052 -28.320 21.829) 60.701 2.486 ( -54.577 -31.510 14.602) 64.689 3.969 ( -89.364 -51.594 4.553) 103.289 8.670 ( 13.770 7.950 0.957) 15.930 10.425 ( 26.496 15.298 -22.337) 37.882 10.639 ( 10.712 6.185 -9.588) 15.650 10.897 ( 3.289 1.899 6.954) 7.924 11.169 ( 9.685 5.592 26.562) 28.821 11.412 ( 9.584 5.533 14.345) 18.118 12.231 ( 4.917 2.839 -3.664) 6.757 12.790 ( -4.548 -2.626 16.042) 16.879 12.909 ( 2.721 1.571 -16.578) 16.873 13.048 ( -1.921 -1.109 -16.212) 16.363 13.497 ( -22.248 -12.845 22.818) 34.361 13.502 ( -25.331 -14.625 -16.276) 33.473 14.217 ( -10.306 -5.950 7.489) 14.061 15.236 ( 8.241 4.758 -3.445) 10.121 16.264 ( 20.180 11.651 -6.729) 24.254 16.739 ( 5.596 3.231 4.460) 7.852 16.963 ( 3.421 1.975 -3.504) 5.280 17.365 ( 8.571 4.949 8.685) 13.168 17.366 ( 1.665 0.961 3.853) 4.306 17.766 ( 7.250 4.186 1.808) 8.565 18.584 ( -1.128 -0.651 1.410) 1.920 19.384 ( -13.370 -7.719 2.859) 15.701 20.359 ( -3.121 -1.802 -3.818) 5.251 21.940 ( 1.919 1.108 -6.976) 7.320 21.951 ( 2.180 1.259 2.410) 3.485 22.114 ( -5.010 -2.893 1.547) 5.989 26.130 ( 7.370 4.255 -8.394) 11.954 ======================= Grid point 201 (62/231) ======================= q-point: ( 0.15 0.15 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( -0.000 44.493 44.883) 63.199 2.254 ( -0.000 39.909 49.824) 63.837 3.597 ( -0.000 43.231 90.677) 100.456 8.917 ( -0.000 -8.681 0.532) 8.697 10.079 ( 0.000 -14.876 -35.197) 38.211 10.339 ( 0.000 3.755 -22.798) 23.105 11.344 ( -0.000 -12.374 9.423) 15.554 11.834 ( -0.000 6.584 7.826) 10.227 12.004 ( 0.000 -4.269 -13.967) 14.605 12.170 ( 0.000 -6.709 -1.379) 6.849 12.658 ( -0.000 9.781 2.251) 10.036 12.847 ( -0.000 -7.276 2.683) 7.755 13.048 ( -0.000 -30.388 18.688) 35.674 13.403 ( -0.000 -7.201 19.861) 21.126 13.754 ( -0.000 19.172 28.427) 34.289 14.678 ( -0.000 -4.175 20.832) 21.246 15.134 ( 0.000 -4.606 -17.453) 18.050 16.437 ( 0.000 -18.228 -10.884) 21.230 16.779 ( 0.000 1.162 -5.782) 5.898 16.916 ( 0.000 0.970 -4.750) 4.848 17.073 ( 0.000 26.192 -9.141) 27.742 17.504 ( 0.000 0.179 -5.932) 5.935 18.258 ( -0.000 -28.785 9.727) 30.384 18.672 ( -0.000 1.846 9.778) 9.950 19.176 ( -0.000 17.683 6.765) 18.933 20.044 ( 0.000 2.141 -12.864) 13.040 21.821 ( 0.000 -6.047 -8.884) 10.747 21.955 ( 0.000 3.371 -6.061) 6.935 22.355 ( -0.000 -2.478 21.301) 21.445 25.628 ( 0.000 11.513 -16.938) 20.481 ======================= Grid point 202 (63/231) ======================= q-point: ( 0.23 0.15 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.907 ( 10.437 45.532 37.638) 59.990 3.119 ( 18.246 34.797 48.906) 62.734 4.898 ( 40.615 51.377 71.360) 96.857 8.753 ( -8.895 -10.824 0.758) 14.031 9.742 ( 2.515 -17.803 -32.686) 37.305 10.217 ( -5.581 6.691 -20.045) 21.857 11.224 ( -8.590 -8.168 8.987) 14.875 11.739 ( -10.005 -3.737 8.838) 13.862 11.989 ( 4.560 -10.396 -4.518) 12.218 12.053 ( -20.651 -16.020 6.600) 26.957 12.444 ( -1.938 6.572 -12.030) 13.844 12.843 ( -5.394 -8.930 15.538) 18.715 12.994 ( 7.194 7.071 -1.301) 10.171 13.630 ( 17.836 -8.787 14.200) 24.433 14.154 ( 7.852 11.724 22.323) 26.409 14.784 ( 0.944 -4.859 17.241) 17.937 14.995 ( 1.486 -1.362 -13.026) 13.181 16.247 ( 7.103 -21.427 -10.796) 25.023 16.548 ( -19.075 3.137 -7.929) 20.894 16.878 ( -5.166 -4.433 -6.686) 9.541 17.257 ( -0.414 20.579 -4.490) 21.068 17.478 ( -4.870 10.142 0.743) 11.275 17.946 ( -10.200 -26.504 11.356) 30.586 18.798 ( 2.623 3.772 10.686) 11.632 19.403 ( 3.088 13.572 6.800) 15.491 19.994 ( 0.874 1.120 -13.522) 13.596 21.754 ( 6.010 -5.492 -11.114) 13.776 21.958 ( 0.673 4.650 -6.580) 8.086 22.457 ( 0.706 -3.345 21.718) 21.985 25.609 ( 1.022 1.765 -19.055) 19.164 ======================= Grid point 203 (64/231) ======================= q-point: ( 0.31 0.15 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.779 ( 22.206 39.738 30.383) 54.730 4.031 ( 22.597 30.300 45.366) 59.049 6.536 ( 54.288 51.185 53.052) 91.551 8.485 ( -12.001 -9.703 2.153) 15.582 9.433 ( 1.734 -19.582 -26.513) 33.007 10.028 ( -12.793 6.495 -16.771) 22.071 11.047 ( -10.450 -8.131 7.759) 15.347 11.355 ( -35.213 -20.992 12.060) 42.732 11.662 ( -9.251 -2.938 10.861) 14.566 11.947 ( 7.836 -10.865 -7.803) 15.503 12.531 ( 5.084 4.300 -9.106) 11.281 12.849 ( 5.259 -1.741 6.650) 8.655 13.176 ( 9.434 6.846 -9.135) 14.809 13.818 ( 5.273 -5.603 -3.583) 8.487 14.392 ( 6.401 -5.964 15.083) 17.437 14.854 ( 4.989 -0.393 11.961) 12.965 15.073 ( 7.571 7.301 -2.889) 10.908 16.150 ( 5.172 -18.301 -0.028) 19.017 16.189 ( -18.989 2.868 -12.865) 23.115 16.570 ( -16.139 -9.286 -11.241) 21.750 17.364 ( -2.456 8.173 5.441) 10.121 17.587 ( -6.013 20.493 8.430) 22.960 17.643 ( -5.146 -20.908 11.533) 24.426 18.909 ( -3.416 7.710 9.762) 12.900 19.580 ( 3.193 5.432 4.875) 7.967 19.896 ( -4.642 -1.282 -11.983) 12.915 21.782 ( 10.440 -3.648 -11.260) 15.782 21.989 ( 1.766 5.607 -5.756) 8.227 22.595 ( 4.895 -1.243 19.521) 20.163 25.452 ( -4.217 -4.984 -19.991) 21.030 ======================= Grid point 204 (65/231) ======================= q-point: ( 0.38 0.15 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.690 ( 28.278 32.365 24.969) 49.705 4.940 ( 25.318 28.336 38.406) 54.027 8.130 ( 50.839 43.124 36.430) 75.970 8.244 ( -10.618 -6.234 7.200) 14.264 9.106 ( -2.020 -19.468 -20.576) 28.398 9.689 ( -23.292 -1.598 -11.362) 25.964 10.608 ( -26.318 -17.606 5.852) 32.200 10.969 ( -9.197 -0.530 5.439) 10.698 11.551 ( -9.983 -7.954 17.840) 21.936 11.964 ( 12.168 -9.180 -9.355) 17.885 12.599 ( 4.372 4.204 -2.269) 6.476 12.945 ( 4.952 -3.558 -1.410) 6.259 13.307 ( 13.723 -4.619 -20.849) 25.384 13.670 ( -8.006 4.525 -14.884) 17.496 14.533 ( 15.544 -17.138 7.526) 24.330 15.055 ( 1.962 8.178 17.747) 19.639 15.247 ( 3.580 10.383 -8.825) 14.089 15.693 ( -32.958 2.879 -5.791) 33.587 16.118 ( -4.412 -7.112 -12.967) 15.433 16.202 ( 3.535 -19.548 0.199) 19.866 17.397 ( -3.807 -11.060 18.409) 21.811 17.484 ( 0.171 -6.741 12.394) 14.110 17.811 ( -3.939 26.258 8.712) 27.945 18.960 ( -6.362 10.161 8.748) 14.841 19.572 ( -7.186 -8.578 -10.954) 15.659 19.745 ( -5.303 3.499 3.762) 7.383 21.858 ( 9.144 -2.648 -8.881) 13.019 22.045 ( 2.354 3.798 -2.688) 5.215 22.858 ( 14.227 4.831 13.912) 20.477 25.154 ( -9.411 -9.071 -20.748) 24.522 ======================= Grid point 205 (66/231) ======================= q-point: ( 0.46 0.15 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.576 ( 31.298 25.789 20.440) 45.414 5.817 ( 26.293 26.331 30.796) 48.302 7.971 ( -19.638 -11.452 7.486) 23.934 8.787 ( -8.803 -17.441 -6.321) 20.533 9.055 ( -15.543 -4.068 -1.390) 16.127 9.288 ( 5.560 13.713 -1.598) 14.884 10.430 ( 13.838 7.308 17.887) 23.766 10.895 ( -4.105 1.634 3.005) 5.343 11.411 ( -7.869 -9.238 14.192) 18.672 12.037 ( 10.668 -5.834 -7.778) 14.434 12.712 ( 2.032 2.965 5.001) 6.159 12.957 ( 9.362 -6.145 -14.572) 18.377 13.158 ( -1.800 -4.856 -20.623) 21.263 13.720 ( 15.109 4.581 -15.204) 21.919 14.586 ( -8.749 -11.391 -6.871) 15.922 14.802 ( -25.198 -8.106 -1.972) 26.543 15.296 ( -3.923 12.233 7.678) 14.966 15.502 ( 0.162 10.652 -11.889) 15.964 15.904 ( -2.383 -3.067 -2.105) 4.418 16.180 ( 7.068 -17.463 4.783) 19.437 17.336 ( -0.739 -15.406 20.029) 25.280 17.564 ( 1.012 -2.241 16.527) 16.709 18.051 ( -2.593 24.404 9.867) 26.451 19.029 ( -3.110 10.672 9.814) 14.828 19.176 ( -17.400 -9.910 -16.586) 26.001 19.738 ( -4.759 0.350 8.612) 9.846 21.914 ( 5.850 -1.330 -6.708) 8.999 22.085 ( 0.808 0.316 0.483) 0.993 23.302 ( 22.981 10.352 8.486) 26.595 24.744 ( -13.767 -11.721 -21.191) 27.856 ======================= Grid point 206 (67/231) ======================= q-point: ( 0.54 0.15 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.414 ( 32.093 20.521 16.323) 41.443 6.623 ( 24.777 21.960 22.882) 40.246 7.443 ( -30.457 -17.634 2.648) 35.293 8.113 ( -40.700 -22.005 0.964) 46.278 9.008 ( 10.954 4.847 -0.046) 11.979 9.212 ( -10.724 -3.826 -8.646) 14.297 10.790 ( 0.112 -4.216 3.270) 5.336 11.080 ( 7.085 -2.631 14.792) 16.611 11.487 ( 20.273 15.561 9.729) 27.346 12.054 ( 0.833 -4.816 -6.020) 7.754 12.717 ( 3.256 -7.157 -17.400) 19.094 12.874 ( 4.399 2.589 -8.905) 10.264 13.311 ( 16.249 8.287 0.997) 18.267 13.684 ( -49.414 -8.775 -13.211) 51.897 13.946 ( 16.607 -1.955 -16.330) 23.373 14.741 ( 7.300 -12.105 -2.791) 14.409 15.275 ( -11.500 10.886 -5.324) 16.706 15.500 ( -1.927 11.737 -14.845) 19.022 15.986 ( 7.981 -4.565 13.951) 16.708 16.162 ( 1.918 -8.074 8.215) 11.677 17.307 ( -1.314 -12.440 17.429) 21.454 17.609 ( -4.813 -8.206 19.474) 21.673 18.266 ( -1.970 16.439 2.280) 16.713 18.713 ( -16.891 -3.279 -12.685) 21.377 19.186 ( 3.326 9.488 9.795) 14.037 19.705 ( -5.404 -1.109 12.185) 13.376 21.944 ( 3.573 -0.915 -5.473) 6.600 22.087 ( -0.752 -0.554 0.988) 1.360 23.857 ( 26.562 12.444 5.401) 29.826 24.253 ( -17.027 -13.253 -20.743) 29.931 ======================= Grid point 207 (68/231) ======================= q-point: (-0.38 0.15 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.610 ( -36.193 -21.700 1.434) 42.225 7.180 ( 19.212 7.872 12.875) 24.430 7.231 ( -35.940 -15.709 5.331) 39.584 7.398 ( 22.820 21.459 8.682) 32.506 8.985 ( -3.043 -4.678 -4.269) 7.027 9.347 ( 16.664 11.240 6.591) 21.154 10.693 ( -5.390 -10.706 -1.027) 12.030 11.055 ( -3.300 -8.601 8.868) 12.787 11.844 ( -20.457 -5.903 -1.328) 21.333 12.065 ( 18.066 11.669 3.156) 21.738 12.448 ( -21.544 -14.603 -19.853) 32.735 12.740 ( -10.349 -7.776 -22.701) 26.132 13.145 ( 16.869 20.504 -9.482) 28.193 13.789 ( 17.091 5.143 5.304) 18.620 14.202 ( 22.996 4.680 -0.296) 23.469 14.661 ( -0.219 -10.959 -6.315) 12.650 15.161 ( -5.053 8.286 -12.902) 16.145 15.504 ( -2.034 11.566 -9.385) 15.033 16.084 ( 1.960 -7.855 7.049) 10.734 16.249 ( 2.709 1.861 17.137) 17.450 17.252 ( -2.659 -13.234 14.670) 19.935 17.406 ( -19.097 -13.837 9.881) 25.569 18.187 ( -3.936 -4.757 -10.617) 12.282 18.622 ( -6.498 18.745 4.110) 20.260 19.406 ( 6.412 6.338 10.565) 13.888 19.731 ( -0.010 -0.179 16.635) 16.636 21.943 ( 1.870 -2.212 -4.999) 5.777 22.071 ( -1.621 1.327 -0.549) 2.166 23.717 ( -18.911 -13.607 -18.840) 29.962 24.429 ( 26.322 12.238 3.294) 29.215 ======================= Grid point 208 (69/231) ======================= q-point: (-0.31 0.15 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.744 ( -43.319 -24.633 2.008) 49.873 6.306 ( -48.651 -18.205 2.258) 51.995 7.663 ( 12.329 4.396 10.497) 16.779 8.060 ( 29.625 19.077 -1.886) 35.286 9.070 ( 15.332 2.150 5.079) 16.294 9.754 ( 6.195 10.428 10.840) 16.267 10.238 ( -30.199 -20.742 -6.610) 37.227 10.982 ( -2.341 -5.708 5.570) 8.312 11.267 ( -29.549 -0.432 2.822) 29.687 12.032 ( 0.204 -9.368 -14.231) 17.039 12.355 ( 9.249 5.522 -5.563) 12.123 12.671 ( 12.897 -4.365 -15.022) 20.275 13.505 ( 10.789 17.657 -25.269) 32.660 14.007 ( 13.050 -3.660 7.497) 15.488 14.478 ( -8.445 -4.883 -2.559) 10.085 14.772 ( 19.652 14.578 19.670) 31.395 15.151 ( 12.133 2.832 -26.055) 28.880 15.543 ( -1.744 12.344 -4.216) 13.160 16.000 ( -9.859 -4.029 5.072) 11.796 16.396 ( 0.593 -0.510 14.430) 14.451 16.930 ( -15.462 -15.606 -5.008) 22.532 17.205 ( -0.959 -12.305 14.938) 19.377 18.077 ( -1.198 -6.549 1.755) 6.886 18.701 ( -9.121 19.317 3.466) 21.641 19.607 ( 5.327 2.018 10.171) 11.658 19.903 ( 7.547 1.155 16.931) 18.573 21.907 ( 1.067 -3.458 -5.545) 6.621 22.052 ( -2.374 3.443 -2.770) 5.016 23.186 ( -19.071 -12.315 -14.783) 27.090 24.956 ( 23.952 10.689 1.143) 26.254 ======================= Grid point 209 (70/231) ======================= q-point: (-0.23 0.15 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.807 ( -46.817 -24.672 5.414) 53.197 5.344 ( -53.032 -16.434 4.198) 55.678 7.898 ( 10.879 2.358 4.331) 11.945 8.339 ( -33.899 -7.355 -8.670) 35.755 9.178 ( -11.926 -3.809 -0.724) 12.540 9.514 ( 24.734 6.078 9.472) 27.175 10.326 ( 16.503 12.482 6.841) 21.794 10.955 ( 0.921 -2.744 4.352) 5.227 11.040 ( -6.452 -0.323 4.679) 7.976 11.958 ( 6.122 -5.980 -7.846) 11.611 12.459 ( 11.112 -4.217 -11.638) 16.634 12.822 ( 8.345 8.703 -4.197) 12.767 13.462 ( -3.095 0.010 -25.110) 25.300 14.244 ( -4.964 -3.140 2.652) 6.444 14.348 ( 3.378 9.674 9.426) 13.923 15.077 ( 4.314 0.256 -16.604) 17.157 15.204 ( -1.014 -3.702 -0.096) 3.840 15.561 ( -13.756 9.820 -2.577) 17.097 15.964 ( 14.668 7.542 3.312) 16.823 16.375 ( -2.450 -0.806 3.576) 4.409 16.776 ( 9.898 -6.438 -1.812) 11.946 17.193 ( 2.425 -13.536 16.496) 21.476 18.010 ( -3.642 -6.817 7.806) 10.985 18.737 ( -10.092 17.686 3.441) 20.652 19.712 ( 0.842 -2.863 8.610) 9.112 20.151 ( 10.200 0.557 11.332) 15.257 21.859 ( 1.373 -2.999 -5.911) 6.768 22.022 ( -3.025 4.310 -4.955) 7.230 22.722 ( -16.964 -9.136 -8.282) 20.973 25.404 ( 20.425 8.406 -1.458) 22.135 ======================= Grid point 210 (71/231) ======================= q-point: (-0.15 0.15 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.859 ( -49.104 -23.177 12.516) 55.723 4.347 ( -57.091 -14.255 7.648) 59.339 6.950 ( -89.786 -22.548 0.073) 92.574 8.157 ( 15.566 3.133 2.754) 16.115 9.507 ( 28.221 10.558 -11.045) 32.092 10.043 ( 25.668 5.478 7.344) 27.254 10.673 ( 9.976 3.251 6.620) 12.406 11.004 ( -0.110 -0.321 7.542) 7.550 11.084 ( 9.264 3.414 6.781) 11.978 12.006 ( 8.676 -2.524 -3.910) 9.845 12.533 ( 12.471 -6.449 -9.718) 17.075 13.011 ( 0.304 17.169 2.742) 17.389 13.212 ( -6.658 -5.207 -20.285) 21.975 14.059 ( -12.381 -5.689 6.002) 14.889 14.373 ( -20.835 1.160 -2.529) 21.020 14.860 ( -20.758 -5.669 -5.608) 22.237 14.987 ( -0.234 -0.339 -5.492) 5.507 15.641 ( 13.296 10.940 -1.923) 17.325 16.420 ( 21.475 8.930 -0.431) 23.262 16.487 ( 11.168 4.004 1.893) 12.015 16.946 ( 15.829 -1.793 -1.707) 16.022 17.220 ( 4.598 -13.112 16.783) 21.789 17.907 ( -7.658 -7.220 9.133) 13.935 18.746 ( -9.433 13.393 3.355) 16.721 19.680 ( -4.459 -6.849 6.144) 10.224 20.327 ( 6.530 -1.675 1.200) 6.848 21.844 ( 2.544 -0.419 -2.613) 3.671 21.981 ( -2.803 4.628 -6.292) 8.299 22.387 ( -12.555 -5.260 -1.454) 13.690 25.747 ( 16.184 5.703 -5.072) 17.893 ======================= Grid point 211 (72/231) ======================= q-point: (-0.08 0.15 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( -49.373 -19.011 25.088) 58.554 3.341 ( -59.771 -11.997 13.247) 62.385 5.283 ( -98.294 -13.227 14.484) 100.232 8.469 ( 17.372 2.193 1.569) 17.580 9.969 ( 27.383 10.027 -20.075) 35.404 10.449 ( 15.680 2.934 -4.024) 16.452 10.846 ( 8.080 -2.194 8.648) 12.037 11.104 ( 10.122 -5.096 15.407) 19.126 11.379 ( 12.618 3.775 15.184) 20.100 12.111 ( 9.072 -0.820 -7.405) 11.739 12.624 ( 8.208 -2.255 -6.277) 10.577 12.946 ( -7.680 -3.991 -10.905) 13.922 13.188 ( -3.706 20.742 6.376) 22.014 13.676 ( -24.005 -14.275 -11.505) 30.206 13.972 ( -25.370 1.328 13.617) 28.824 14.462 ( -17.759 -1.369 6.968) 19.126 15.098 ( 8.588 2.945 -4.088) 9.957 16.012 ( 20.207 12.356 -6.107) 24.460 16.614 ( 7.931 -7.289 3.385) 11.291 16.825 ( 15.206 7.295 -7.677) 18.530 17.188 ( 13.198 -4.237 7.990) 16.000 17.369 ( 15.314 1.207 6.560) 16.704 17.724 ( -10.044 -11.162 5.595) 16.024 18.716 ( -8.135 6.311 3.509) 10.877 19.528 ( -9.538 -6.928 3.949) 12.433 20.336 ( 0.298 -2.505 -8.212) 8.591 21.898 ( 2.021 3.913 -2.258) 4.949 21.965 ( 0.174 3.387 -0.273) 3.402 22.193 ( -7.744 -2.675 2.223) 8.489 25.959 ( 10.657 2.679 -11.084) 15.608 ======================= Grid point 215 (73/231) ======================= q-point: ( 0.23 0.23 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.547 ( -0.000 45.402 39.247) 60.014 3.598 ( -0.000 44.665 42.623) 61.739 5.504 ( -0.000 56.332 71.543) 91.059 8.733 ( -0.000 -12.047 3.001) 12.416 9.349 ( 0.000 -17.470 -33.727) 37.983 10.221 ( 0.000 8.386 -16.948) 18.909 11.268 ( -0.000 -7.853 6.468) 10.174 11.720 ( 0.000 -10.097 -9.054) 13.562 11.937 ( -0.000 -10.058 13.674) 16.975 12.103 ( 0.000 1.154 -3.632) 3.810 12.542 ( -0.000 -11.224 -1.722) 11.355 12.697 ( -0.000 -26.774 12.977) 29.753 13.035 ( 0.000 12.864 -9.263) 15.853 13.432 ( -0.000 -6.449 11.949) 13.579 14.315 ( -0.000 8.031 18.675) 20.329 14.845 ( 0.000 -3.067 -16.708) 16.988 14.883 ( -0.000 -2.648 20.774) 20.942 15.927 ( 0.000 -19.980 -10.809) 22.717 16.715 ( 0.000 -9.643 -10.292) 14.104 16.801 ( 0.000 6.093 -1.157) 6.201 17.483 ( 0.000 19.822 -0.133) 19.822 17.611 ( 0.000 12.744 1.043) 12.787 17.866 ( -0.000 -19.389 7.675) 20.853 18.859 ( -0.000 2.441 14.661) 14.863 19.594 ( -0.000 16.956 8.835) 19.120 19.906 ( 0.000 0.339 -15.193) 15.197 21.572 ( 0.000 -5.734 -12.865) 14.085 21.955 ( 0.000 5.154 -7.491) 9.093 22.533 ( -0.000 -6.435 22.082) 23.001 25.498 ( 0.000 -1.848 -18.535) 18.627 ======================= Grid point 216 (74/231) ======================= q-point: ( 0.31 0.23 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.198 ( 3.361 46.704 32.917) 57.237 4.343 ( 10.284 36.348 44.363) 58.267 6.686 ( 29.574 56.850 58.005) 86.435 8.573 ( -8.085 -10.065 3.685) 13.426 9.043 ( 4.172 -16.899 -28.358) 33.274 10.157 ( -6.619 7.994 -15.421) 18.588 11.161 ( -7.141 -8.069 3.348) 11.283 11.609 ( 2.569 -13.344 -1.812) 13.709 11.741 ( -20.317 -22.280 11.204) 32.167 11.916 ( -15.067 -4.476 5.804) 16.756 12.381 ( 5.560 1.178 -10.255) 11.724 12.716 ( 10.196 -15.365 7.076) 19.751 13.025 ( 4.960 -6.247 -16.470) 18.300 13.623 ( 12.745 4.355 5.555) 14.569 14.373 ( -7.040 -6.385 2.024) 9.717 14.792 ( 8.263 -0.717 0.677) 8.322 15.031 ( 6.254 2.319 9.912) 11.947 15.767 ( 7.929 -17.055 -6.289) 19.832 16.475 ( -11.194 -3.308 -9.691) 15.172 16.753 ( -14.974 2.462 1.389) 15.238 17.516 ( -2.114 -20.593 12.906) 24.395 17.614 ( -10.083 9.840 1.931) 14.220 17.922 ( -0.254 25.736 4.774) 26.176 19.025 ( 4.460 4.527 13.904) 15.288 19.675 ( -6.904 4.758 -3.401) 9.048 19.892 ( 1.908 6.642 -3.098) 7.573 21.515 ( 7.785 -3.073 -13.617) 15.984 21.974 ( 1.708 5.730 -7.465) 9.565 22.613 ( 2.702 -6.983 20.525) 21.848 25.329 ( -2.096 -7.364 -19.498) 20.948 ======================= Grid point 217 (75/231) ======================= q-point: ( 0.38 0.23 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.901 ( 9.719 42.008 28.219) 51.531 5.115 ( 15.744 29.749 41.212) 53.210 8.068 ( 39.074 50.794 41.656) 76.433 8.390 ( -8.470 -5.295 7.411) 12.438 8.796 ( 2.361 -16.519 -22.250) 27.812 9.935 ( -16.623 0.958 -13.523) 21.450 10.872 ( -21.106 -17.815 5.128) 28.091 11.198 ( -18.562 -7.351 5.229) 20.638 11.604 ( 10.203 -14.241 -6.770) 18.782 11.729 ( -9.848 -9.033 14.558) 19.761 12.455 ( 9.184 0.926 -8.770) 12.733 12.827 ( 11.086 -8.366 5.605) 14.977 12.892 ( 7.339 -13.978 -26.770) 31.079 13.797 ( -7.432 8.649 -6.722) 13.237 14.181 ( 8.615 -15.559 -1.524) 17.851 15.022 ( 15.364 -0.941 5.143) 16.229 15.244 ( 6.669 10.483 3.988) 13.049 15.761 ( 12.020 -16.382 -2.153) 20.433 16.205 ( -14.055 1.373 -8.814) 16.646 16.367 ( -35.262 2.251 0.454) 35.337 17.299 ( 0.037 -29.619 16.281) 33.799 17.659 ( -5.958 12.801 9.781) 17.177 18.186 ( -3.330 26.529 9.331) 28.319 19.187 ( -2.218 10.050 6.286) 12.059 19.525 ( -4.022 -6.989 -8.375) 11.626 19.934 ( -7.361 7.706 6.301) 12.380 21.594 ( 12.325 -0.183 -11.826) 17.082 22.025 ( 2.700 4.752 -4.717) 7.219 22.763 ( 9.559 -3.027 15.633) 18.572 25.058 ( -5.833 -11.534 -20.723) 24.423 ======================= Grid point 218 (76/231) ======================= q-point: ( 0.46 0.23 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.616 ( 15.281 34.597 24.377) 44.997 5.879 ( 19.504 24.790 34.228) 46.546 8.221 ( -16.024 -8.602 11.232) 21.376 8.594 ( 5.291 -8.846 -13.951) 17.346 9.183 ( 15.854 24.893 15.274) 33.231 9.471 ( -23.568 -6.235 -8.877) 25.945 10.486 ( -5.715 -2.859 13.087) 14.564 10.995 ( -7.126 -3.951 0.831) 8.191 11.485 ( -4.198 -16.681 8.864) 19.351 11.726 ( 11.146 -5.207 -4.868) 13.230 12.610 ( 13.045 -1.274 -8.399) 15.567 12.676 ( 2.792 -9.574 -20.783) 23.052 12.977 ( 10.054 -5.573 1.457) 11.587 13.554 ( -6.571 -2.952 -16.325) 17.843 14.340 ( 14.577 -3.419 -0.708) 14.989 15.235 ( 0.182 4.207 -5.750) 7.127 15.439 ( 1.966 6.896 5.609) 9.104 15.619 ( -23.079 -4.279 -6.672) 24.402 15.930 ( -0.035 -7.205 5.338) 8.967 15.957 ( -11.005 -1.156 -3.584) 11.632 17.194 ( 6.051 -26.567 18.099) 32.710 17.744 ( -6.003 9.795 15.101) 18.975 18.412 ( -4.582 22.268 11.076) 25.289 19.136 ( -8.759 1.539 -17.088) 19.264 19.381 ( -9.020 1.970 10.200) 13.758 19.898 ( -7.842 3.314 8.353) 11.926 21.732 ( 10.295 1.291 -7.624) 12.876 22.077 ( 1.523 1.514 -0.301) 2.168 23.076 ( 19.684 4.210 8.605) 21.891 24.687 ( -9.709 -14.125 -21.527) 27.517 ======================= Grid point 219 (77/231) ======================= q-point: ( 0.54 0.23 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.322 ( 19.947 27.700 20.059) 39.592 6.590 ( 20.702 18.276 26.019) 37.942 7.784 ( -27.620 -15.575 5.125) 32.120 8.499 ( -23.318 -12.194 1.206) 26.342 8.907 ( -0.725 -0.912 -2.471) 2.732 9.319 ( -13.202 -3.005 -9.892) 16.768 10.765 ( 1.111 -5.453 6.945) 8.900 10.984 ( 13.512 2.925 12.368) 18.550 11.424 ( 6.271 3.074 6.591) 9.603 11.825 ( 12.432 -7.653 -11.991) 18.892 12.444 ( 3.442 -10.473 -23.685) 26.125 12.807 ( 5.612 0.407 0.880) 5.695 13.152 ( 13.373 12.365 0.574) 18.222 13.496 ( 15.959 -7.402 -13.180) 21.982 14.403 ( -21.953 -1.120 -7.573) 23.250 14.642 ( -29.558 -2.723 -5.079) 30.114 15.524 ( -0.991 2.267 1.519) 2.903 15.552 ( -0.750 14.235 -11.741) 18.467 15.781 ( 1.813 -11.028 2.059) 11.365 16.064 ( 10.896 -5.559 11.628) 16.877 17.180 ( 7.407 -23.369 16.044) 29.299 17.810 ( -8.024 5.187 19.175) 21.424 18.517 ( -10.081 7.326 -1.410) 12.542 18.860 ( -10.038 6.566 -10.752) 16.108 19.380 ( -6.603 9.134 12.461) 16.802 19.851 ( -5.853 -0.720 9.210) 10.936 21.841 ( 5.492 1.359 -3.564) 6.687 22.100 ( -0.034 0.564 1.604) 1.700 23.554 ( 26.475 8.875 3.619) 28.157 24.238 ( -12.970 -15.256 -21.252) 29.199 ======================= Grid point 220 (78/231) ======================= q-point: (-0.38 0.23 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.939 ( -13.565 -6.524 6.920) 16.567 7.016 ( 17.473 13.393 16.503) 27.514 7.372 ( 2.066 8.458 12.519) 15.249 7.770 ( -40.676 -15.635 1.757) 43.613 8.985 ( -9.493 -9.242 -7.406) 15.179 9.201 ( 18.507 11.249 4.867) 22.198 10.640 ( -2.506 -12.762 -1.325) 13.073 11.084 ( -2.681 -7.405 11.295) 13.770 11.753 ( 9.772 -8.317 -15.193) 19.887 11.896 ( 18.272 8.504 1.739) 20.229 12.314 ( 2.556 -5.250 -14.213) 15.365 12.953 ( 9.283 12.717 -13.879) 20.988 13.358 ( -45.646 -1.785 -2.503) 45.750 13.558 ( 4.309 -6.345 -6.796) 10.248 13.838 ( 26.148 15.493 -0.910) 30.407 14.545 ( 1.113 -5.428 0.395) 5.555 15.397 ( -16.280 9.109 -3.477) 18.976 15.594 ( -1.492 14.427 -13.474) 19.797 15.859 ( 15.847 -16.120 8.105) 24.014 16.258 ( 7.962 -3.165 12.708) 15.327 17.155 ( 4.198 -21.376 12.582) 25.157 17.725 ( -20.816 -4.809 15.853) 26.603 18.220 ( -11.068 -0.032 -15.610) 19.136 18.907 ( -3.952 17.795 5.202) 18.956 19.472 ( 0.109 5.702 11.085) 12.466 19.823 ( -2.292 -2.439 10.935) 11.436 21.884 ( 1.239 -0.817 -1.105) 1.850 22.115 ( -1.336 3.637 0.752) 3.947 23.746 ( -15.007 -14.757 -19.199) 28.488 24.104 ( 28.106 9.947 0.650) 29.821 ======================= Grid point 221 (79/231) ======================= q-point: (-0.31 0.23 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.239 ( -41.000 -20.107 4.682) 45.905 6.922 ( -43.812 -13.144 0.677) 45.746 7.591 ( 12.305 8.221 16.377) 22.073 7.796 ( 22.133 14.202 0.816) 26.310 8.869 ( 9.208 -5.732 1.027) 10.895 9.682 ( 20.663 14.396 7.104) 26.166 10.407 ( -12.870 -15.096 -0.989) 19.862 11.013 ( -4.209 -5.989 6.577) 9.841 11.656 ( 4.332 -11.259 -11.464) 16.642 12.103 ( -39.758 -2.402 -1.585) 39.862 12.228 ( -4.759 3.984 -10.073) 11.832 12.417 ( 6.485 0.524 -6.476) 9.180 13.302 ( 14.329 15.307 -28.547) 35.420 13.766 ( 18.355 -3.847 11.241) 21.864 14.332 ( 15.568 -0.047 -17.027) 23.071 14.668 ( 14.093 14.825 15.686) 25.777 15.192 ( -14.278 5.735 -2.724) 15.626 15.637 ( -0.007 12.467 -7.820) 14.716 16.005 ( 9.438 -8.256 5.570) 13.721 16.376 ( 4.074 -7.759 10.050) 13.334 17.058 ( -4.936 -17.263 9.186) 20.169 17.247 ( -24.572 -11.217 -0.726) 27.021 18.104 ( -3.761 2.030 2.082) 4.754 19.022 ( -5.623 16.092 4.333) 17.589 19.599 ( 4.018 0.286 9.693) 10.497 19.880 ( 4.355 -3.022 10.919) 12.137 21.863 ( -1.012 -1.878 -0.891) 2.313 22.123 ( -3.227 5.612 -1.081) 6.563 23.268 ( -15.890 -11.813 -14.484) 24.532 24.636 ( 26.849 8.849 -1.824) 28.329 ======================= Grid point 222 (80/231) ======================= q-point: (-0.23 0.23 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.395 ( -45.574 -17.735 7.812) 49.523 6.070 ( -49.230 -10.145 2.694) 50.336 7.794 ( 6.222 -0.789 6.433) 8.985 8.314 ( 22.270 12.262 -3.291) 25.635 9.166 ( 25.096 -1.058 6.666) 25.988 9.767 ( -49.711 -14.043 1.984) 51.695 10.190 ( 20.289 11.728 5.525) 24.077 10.936 ( -1.370 -4.959 2.807) 5.861 11.305 ( -27.961 -0.585 2.438) 28.074 11.689 ( 9.557 -8.675 -10.263) 16.490 12.223 ( 5.489 -0.193 -6.528) 8.531 12.732 ( 15.365 11.103 -1.248) 18.998 13.345 ( 1.668 2.148 -20.979) 21.154 14.177 ( 14.250 8.150 4.725) 17.083 14.364 ( 10.186 -0.148 -10.288) 14.478 14.926 ( -5.153 3.640 -14.300) 15.630 15.219 ( 6.424 7.081 14.711) 17.545 15.776 ( 4.454 16.306 -2.873) 17.146 16.005 ( -7.786 -0.316 3.317) 8.469 16.399 ( 7.497 -16.138 6.255) 18.862 16.613 ( -18.125 -7.854 -6.213) 20.708 17.086 ( 3.617 -14.932 12.940) 20.087 18.083 ( -4.374 -0.647 8.056) 9.190 19.071 ( -8.198 13.546 3.541) 16.225 19.696 ( 2.969 -4.786 8.391) 10.106 20.014 ( 9.834 -4.419 4.878) 11.834 21.824 ( -1.260 -0.431 -0.678) 1.494 22.095 ( -4.339 4.537 -3.774) 7.325 22.865 ( -15.524 -5.931 -6.983) 18.026 25.099 ( 23.803 6.566 -4.549) 25.108 ======================= Grid point 223 (81/231) ======================= q-point: (-0.15 0.23 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.556 ( -48.078 -13.054 13.796) 51.693 5.184 ( -53.688 -7.171 5.626) 54.456 7.957 ( 12.061 -1.113 3.782) 12.689 8.186 ( -65.222 -1.504 4.318) 65.382 9.160 ( 9.328 2.873 -5.575) 11.241 9.646 ( 29.770 -2.712 5.775) 30.446 10.564 ( 12.317 1.146 3.536) 12.866 10.977 ( 8.966 -0.534 4.946) 10.253 11.062 ( -6.487 -2.704 3.505) 7.853 11.767 ( 11.027 -1.605 -6.970) 13.144 12.335 ( 7.688 4.564 1.813) 9.122 12.990 ( 8.715 3.158 -15.586) 18.134 13.283 ( -3.100 10.594 2.801) 11.388 14.184 ( -6.388 -3.002 -2.858) 7.615 14.527 ( 0.097 -2.286 -21.882) 22.002 14.880 ( 1.004 14.985 4.110) 15.571 15.250 ( -13.806 -1.467 4.636) 14.638 15.673 ( -12.237 3.877 -0.950) 12.872 16.194 ( 15.625 11.525 -0.909) 19.437 16.360 ( 6.386 -9.724 2.935) 11.998 16.589 ( 18.246 -6.899 -1.558) 19.569 17.110 ( 4.344 -12.564 15.529) 20.442 18.026 ( -6.936 -3.940 8.995) 12.023 19.047 ( -10.286 7.902 3.637) 13.471 19.690 ( -1.226 -7.924 5.869) 9.937 20.139 ( 10.642 -5.530 -5.064) 13.018 21.829 ( 0.726 2.280 2.378) 3.373 22.036 ( -3.549 3.557 -5.733) 7.623 22.576 ( -14.898 0.165 0.225) 14.901 25.463 ( 19.752 3.694 -7.891) 21.588 ======================= Grid point 224 (82/231) ======================= q-point: (-0.08 0.23 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.795 ( -48.258 -5.342 23.315) 53.861 4.282 ( -57.168 -4.009 10.096) 58.191 6.907 ( -91.738 5.854 18.623) 93.792 8.201 ( 16.547 -1.860 2.583) 16.850 9.510 ( 26.351 6.813 -14.682) 30.925 10.091 ( 25.901 -6.567 1.389) 26.756 10.708 ( 10.208 -5.607 4.128) 12.356 11.005 ( 1.972 -6.473 4.018) 7.870 11.224 ( 14.526 -4.310 10.739) 18.571 11.912 ( 9.184 6.175 -6.837) 13.009 12.536 ( 5.368 6.820 1.645) 8.834 12.923 ( 0.048 -0.672 -10.751) 10.772 13.479 ( -1.526 19.504 9.546) 21.769 13.894 ( -21.314 -5.779 -7.137) 23.209 14.291 ( -6.395 -3.311 -9.170) 11.659 14.814 ( -22.870 2.976 0.832) 23.078 15.107 ( -5.557 8.131 8.347) 12.910 15.792 ( 15.170 7.646 -0.636) 17.000 16.391 ( 9.968 -15.441 -2.018) 18.489 16.534 ( 19.462 5.426 -7.549) 21.569 16.922 ( 21.684 1.910 3.405) 22.033 17.183 ( 7.055 -8.906 14.953) 18.780 17.866 ( -12.171 -8.104 5.780) 15.724 18.924 ( -10.589 -2.114 4.129) 11.561 19.606 ( -4.469 -4.594 3.281) 7.200 20.181 ( 7.145 -4.887 -12.366) 15.094 21.911 ( 2.032 4.582 2.629) 5.660 21.999 ( -1.167 3.782 -3.006) 4.970 22.379 ( -13.413 3.123 5.006) 14.653 25.703 ( 14.652 0.703 -12.276) 19.128 ======================= Grid point 229 (83/231) ======================= q-point: ( 0.31 0.31 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.775 ( -0.000 38.230 35.561) 52.212 4.897 ( -0.000 43.518 37.587) 57.503 7.324 ( -0.000 58.229 53.869) 79.326 8.594 ( -0.000 -8.765 8.386) 12.131 8.688 ( 0.000 -12.522 -29.011) 31.598 10.197 ( 0.000 6.624 -14.413) 15.862 11.119 ( 0.000 -8.707 -8.585) 12.228 11.461 ( -0.000 -14.960 6.336) 16.246 11.786 ( -0.000 -22.899 15.778) 27.809 12.121 ( 0.000 3.460 -0.388) 3.482 12.331 ( 0.000 -7.017 -5.217) 8.744 12.372 ( -0.000 -19.182 5.490) 19.952 12.683 ( 0.000 -24.035 -23.085) 33.325 13.647 ( 0.000 14.272 1.381) 14.339 14.473 ( -0.000 -5.098 6.457) 8.227 14.611 ( 0.000 -4.626 -14.468) 15.190 15.006 ( -0.000 -6.602 11.800) 13.522 15.562 ( 0.000 -5.956 -5.038) 7.801 16.458 ( 0.000 -5.984 -4.921) 7.747 16.931 ( -0.000 -2.706 10.599) 10.939 17.427 ( -0.000 -14.675 10.280) 17.917 17.906 ( -0.000 14.788 2.801) 15.051 18.130 ( 0.000 26.973 1.019) 26.992 19.097 ( -0.000 1.596 18.342) 18.411 19.695 ( 0.000 -1.847 -17.270) 17.368 20.000 ( -0.000 15.083 8.507) 17.317 21.361 ( 0.000 1.344 -12.727) 12.797 21.961 ( 0.000 5.880 -9.284) 10.989 22.629 ( -0.000 -10.358 20.533) 22.998 25.145 ( 0.000 -11.381 -19.603) 22.667 ======================= Grid point 230 (84/231) ======================= q-point: ( 0.38 0.31 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.356 ( 5.133 35.708 29.634) 46.687 5.509 ( 1.391 36.838 38.050) 52.979 8.316 ( 19.781 48.885 41.735) 67.252 8.438 ( 0.591 -1.747 -18.271) 18.364 8.568 ( -2.201 -6.751 5.271) 8.843 10.073 ( -9.607 -0.059 -14.194) 17.140 10.951 ( -3.928 -11.069 -7.961) 14.189 11.300 ( -7.416 -21.432 4.937) 23.210 11.513 ( -14.055 -13.367 7.850) 20.924 11.876 ( -13.420 -14.230 7.793) 21.055 12.281 ( 5.759 -0.118 -9.576) 11.174 12.408 ( 10.639 -14.216 -22.550) 28.701 12.539 ( 17.891 -16.086 3.804) 24.358 13.848 ( 10.435 9.084 -1.438) 13.910 14.124 ( -21.380 -9.435 -8.969) 25.031 14.720 ( 15.975 -8.074 -1.687) 17.979 15.127 ( 15.313 -5.324 4.778) 16.901 15.547 ( 2.201 1.885 -4.327) 5.208 16.337 ( -7.961 -1.605 -1.084) 8.194 16.868 ( -9.517 -7.435 13.515) 18.125 17.235 ( -17.782 -11.105 7.884) 22.398 17.954 ( -7.549 14.566 6.915) 17.804 18.454 ( 4.618 21.390 4.889) 22.423 19.268 ( 5.068 3.949 11.269) 12.972 19.506 ( -7.035 -3.283 -12.875) 15.034 20.161 ( -3.459 11.600 7.229) 14.099 21.390 ( 6.848 6.923 -10.014) 13.968 21.986 ( 3.142 5.563 -8.413) 10.564 22.683 ( 5.071 -9.666 17.789) 20.871 24.882 ( -2.746 -14.987 -20.305) 25.386 ======================= Grid point 231 (85/231) ======================= q-point: ( 0.46 0.31 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.939 ( 7.902 33.569 22.236) 41.034 6.082 ( 6.205 25.930 36.704) 45.366 8.330 ( 2.305 -7.916 -14.981) 17.100 8.480 ( -7.125 1.149 14.734) 16.406 9.296 ( 16.187 36.231 17.172) 43.239 9.706 ( -20.660 -8.693 -11.655) 25.263 10.667 ( -12.442 -8.127 9.315) 17.539 10.984 ( -4.358 -17.435 -7.471) 19.463 11.335 ( 0.493 -12.214 3.512) 12.718 11.617 ( -2.854 -13.111 -5.470) 14.491 12.270 ( 7.607 -12.523 -12.490) 19.253 12.445 ( 11.412 2.369 -6.820) 13.504 12.742 ( 15.645 -4.909 6.059) 17.481 13.620 ( -17.366 -12.640 -12.694) 24.950 14.120 ( 12.457 8.197 -2.243) 15.080 14.905 ( 20.119 -12.631 -1.192) 23.785 15.395 ( 19.533 -4.038 1.068) 19.975 15.578 ( -0.093 5.748 -6.564) 8.725 16.168 ( -13.618 2.251 1.864) 13.928 16.515 ( -43.438 7.278 3.066) 44.150 16.953 ( 2.519 -27.157 16.282) 31.764 18.039 ( -5.906 12.340 13.060) 18.913 18.676 ( -0.690 11.361 6.038) 12.885 19.207 ( -10.372 4.924 -19.831) 22.915 19.504 ( 3.812 1.083 13.511) 14.080 20.160 ( -11.806 6.437 6.993) 15.156 21.567 ( 9.836 9.661 -5.353) 14.790 22.053 ( 3.411 3.597 -3.189) 5.894 22.857 ( 14.568 -3.530 10.944) 18.560 24.541 ( -5.857 -17.133 -20.866) 27.626 ======================= Grid point 232 (86/231) ======================= q-point: ( 0.54 0.31 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.494 ( 10.508 29.016 17.022) 35.243 6.617 ( 11.443 15.049 29.697) 35.204 8.068 ( -18.194 -10.225 1.785) 20.947 8.606 ( 4.748 8.232 7.409) 12.050 9.081 ( -28.692 -14.817 -4.930) 32.666 9.462 ( -15.085 -2.002 -10.777) 18.647 10.701 ( -1.837 -15.651 -4.031) 16.265 10.892 ( 14.394 10.353 16.545) 24.251 11.346 ( 10.884 -6.147 4.290) 13.216 11.467 ( 4.386 -8.362 -19.416) 21.590 12.199 ( 3.705 -6.347 -9.165) 11.748 12.653 ( 12.652 0.411 -0.271) 12.661 13.049 ( 18.972 4.813 3.346) 19.857 13.248 ( -6.791 -4.373 -9.257) 12.285 14.340 ( 8.741 3.028 -2.270) 9.526 15.116 ( 21.475 -12.719 -2.439) 25.078 15.407 ( -34.588 5.764 -8.571) 36.098 15.649 ( 12.037 -1.509 -2.262) 12.340 15.922 ( -16.070 0.670 6.885) 17.496 15.994 ( -15.825 4.160 0.400) 16.367 16.916 ( 7.966 -23.451 16.171) 29.579 18.124 ( -7.543 9.104 17.382) 21.022 18.634 ( -8.645 -5.038 -10.442) 14.462 19.068 ( -6.946 15.383 -4.549) 17.481 19.610 ( -2.569 4.074 9.794) 10.914 20.025 ( -12.224 0.901 5.592) 13.473 21.770 ( 6.222 6.428 0.672) 8.971 22.120 ( 1.465 4.186 1.446) 4.664 23.220 ( 24.361 3.572 3.694) 24.897 24.137 ( -8.799 -17.410 -20.344) 28.186 ======================= Grid point 233 (87/231) ======================= q-point: ( 0.62 0.31 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.984 ( 10.753 5.079 10.298) 15.731 7.054 ( 9.182 18.392 19.094) 28.056 7.648 ( -22.710 -5.707 9.060) 25.108 8.274 ( -36.912 -12.075 0.702) 38.843 9.022 ( 5.297 -2.076 -0.984) 5.774 9.051 ( -4.668 0.079 -5.267) 7.038 10.520 ( 0.423 -12.476 -4.632) 13.315 11.133 ( 1.038 -5.637 15.454) 16.482 11.341 ( 9.328 -12.043 -27.252) 31.220 11.699 ( 19.611 11.310 6.413) 23.530 12.176 ( 3.237 -1.416 -7.088) 7.920 12.790 ( 9.151 4.775 -14.735) 17.990 13.204 ( 15.618 -9.217 1.872) 18.232 13.565 ( 18.973 21.965 2.514) 29.133 14.341 ( -29.351 1.008 -2.618) 29.485 14.604 ( -31.200 1.666 0.666) 31.252 15.364 ( 23.450 -14.047 -1.180) 27.361 15.700 ( -1.467 6.569 -8.646) 10.957 15.759 ( -17.464 7.338 2.277) 19.079 16.059 ( 16.169 -7.944 6.946) 19.308 16.929 ( 7.314 -19.920 13.142) 24.960 18.116 ( -17.980 -0.859 14.527) 23.131 18.305 ( -9.870 0.378 -14.965) 17.930 19.136 ( -3.038 14.134 1.658) 14.551 19.629 ( -5.595 3.466 8.979) 11.133 19.891 ( -5.497 -3.747 4.358) 7.953 21.868 ( 1.278 -0.908 4.191) 4.475 22.204 ( -0.974 9.704 2.299) 10.020 23.684 ( 5.758 -6.457 -10.683) 13.747 23.740 ( 12.180 -2.122 -7.571) 14.498 ======================= Grid point 234 (88/231) ======================= q-point: (-0.31 0.31 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.718 ( -32.692 -13.612 5.240) 35.798 7.416 ( -19.486 0.052 3.002) 19.716 7.591 ( 12.709 6.882 3.022) 14.765 7.711 ( -10.156 1.483 14.100) 17.440 8.712 ( -2.162 -11.540 -3.037) 12.128 9.474 ( 22.097 9.853 2.210) 24.295 10.405 ( -2.320 -8.011 -0.608) 8.363 11.074 ( -5.504 -5.924 -0.715) 8.117 11.306 ( 11.673 -8.460 -7.221) 16.123 12.096 ( 10.917 6.757 -0.637) 12.854 12.197 ( 8.999 0.888 -1.311) 9.137 12.945 ( 10.142 11.462 -23.886) 28.369 13.250 ( -55.092 -0.912 -7.445) 55.600 13.508 ( 13.034 -2.551 14.711) 19.819 14.060 ( 10.433 11.545 -13.093) 20.336 14.679 ( 11.492 7.602 15.015) 20.379 15.460 ( -7.107 -4.686 -3.903) 9.365 15.662 ( 6.077 6.964 -3.042) 9.731 15.720 ( 4.643 -3.062 2.235) 5.994 16.242 ( 9.802 -8.363 3.734) 13.415 16.933 ( 4.936 -15.527 11.812) 20.124 17.632 ( -30.385 -5.122 -11.921) 33.040 18.250 ( -6.214 3.821 10.433) 12.730 19.220 ( -1.914 9.995 0.827) 10.210 19.618 ( -2.014 -1.486 6.780) 7.227 19.843 ( 0.908 -4.911 4.255) 6.561 21.872 ( -0.889 -2.903 4.349) 5.304 22.258 ( -4.938 8.873 -0.245) 10.158 23.319 ( -12.138 -8.409 -10.518) 18.130 24.237 ( 29.046 6.152 -3.788) 29.931 ======================= Grid point 235 (89/231) ======================= q-point: (-0.23 0.31 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.023 ( -42.084 -10.098 7.837) 43.983 6.761 ( -43.570 -4.577 0.596) 43.814 7.734 ( 4.481 -5.931 2.024) 7.704 8.049 ( 20.027 9.477 6.047) 22.966 8.780 ( 19.214 -6.186 1.996) 20.284 9.910 ( 22.383 2.386 -2.708) 22.672 10.233 ( -15.302 -4.202 5.069) 16.659 10.928 ( -2.501 -5.482 -4.581) 7.569 11.422 ( 7.424 1.602 0.896) 7.647 12.045 ( -37.146 -0.830 -8.791) 38.181 12.256 ( -23.779 6.399 13.174) 27.928 12.501 ( 18.657 2.542 -3.169) 19.094 13.185 ( 12.433 12.089 -20.800) 27.081 13.934 ( 25.256 0.955 6.577) 26.116 14.132 ( 4.081 4.824 -13.390) 14.806 15.053 ( 5.537 9.361 4.804) 11.890 15.266 ( -4.156 -3.279 4.033) 6.655 15.781 ( 5.178 11.192 -4.587) 13.157 15.894 ( 16.872 -11.464 5.935) 21.244 16.222 ( -3.566 -8.122 -1.306) 8.966 16.952 ( -3.733 -6.511 9.041) 11.750 17.012 ( -24.025 -6.396 -8.293) 26.209 18.234 ( -7.007 0.224 12.956) 14.731 19.258 ( -2.561 5.114 -0.211) 5.724 19.635 ( 3.092 -5.305 5.677) 8.362 19.850 ( 4.486 -6.647 -0.398) 8.029 21.856 ( -1.429 -1.043 3.921) 4.302 22.198 ( -6.529 3.002 -5.224) 8.884 23.052 ( -13.585 2.172 -0.377) 13.763 24.707 ( 26.787 4.008 -6.670) 27.894 ======================= Grid point 236 (90/231) ======================= q-point: (-0.15 0.31 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.309 ( -45.036 -3.898 12.699) 46.954 6.000 ( -48.837 -1.198 3.510) 48.977 7.791 ( 8.684 -5.216 2.738) 10.494 8.464 ( 19.175 4.822 0.981) 19.797 9.128 ( 28.134 -7.729 0.627) 29.183 9.658 ( -47.333 -0.420 3.214) 47.444 10.283 ( 17.881 -6.585 -0.929) 19.078 10.882 ( 3.482 -1.427 0.251) 3.772 11.280 ( -23.755 -1.743 -1.409) 23.861 11.675 ( 1.684 11.551 5.194) 12.777 12.350 ( 3.465 9.119 10.752) 14.518 12.723 ( 13.471 -3.117 -10.601) 17.423 13.401 ( 7.036 18.798 -4.624) 20.598 14.074 ( 7.256 -3.969 -16.790) 18.716 14.357 ( 7.428 3.237 -3.995) 9.034 15.061 ( -2.309 13.122 4.385) 14.027 15.351 ( 4.881 -7.778 9.023) 12.873 15.920 ( 3.533 -5.635 -5.926) 8.908 15.978 ( -5.106 -14.064 -5.049) 15.791 16.132 ( 8.908 9.720 0.280) 13.188 16.531 ( -12.913 4.262 -3.505) 14.042 17.033 ( 4.409 -9.293 15.701) 18.770 18.172 ( -8.285 -3.611 12.068) 15.077 19.216 ( -5.207 -2.749 1.235) 6.016 19.651 ( 1.262 -6.586 4.683) 8.180 19.860 ( 9.232 -7.436 -9.880) 15.432 21.869 ( -0.098 1.701 4.732) 5.029 22.087 ( -4.145 1.237 -6.563) 7.861 22.888 ( -16.386 9.020 6.105) 19.675 25.086 ( 23.198 1.121 -9.809) 25.212 ======================= Grid point 237 (91/231) ======================= q-point: (-0.08 0.31 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.676 ( -45.101 4.447 20.000) 49.537 5.216 ( -52.822 2.256 7.875) 53.454 7.949 ( 13.329 -4.351 3.543) 14.462 8.417 ( -58.931 11.549 15.712) 62.073 9.125 ( 9.166 2.295 -7.870) 12.297 9.539 ( 29.630 -11.855 0.339) 31.915 10.424 ( 14.001 -12.035 -3.579) 18.806 10.950 ( 1.134 -5.051 0.281) 5.185 11.088 ( 2.287 -1.751 8.519) 8.992 11.887 ( 4.846 15.496 0.781) 16.255 12.553 ( 2.710 5.237 3.714) 6.968 12.818 ( 8.324 3.442 -2.534) 9.357 13.680 ( 4.063 20.654 -2.696) 21.222 14.045 ( 2.629 -3.462 -12.213) 12.963 14.211 ( -11.828 -2.241 -5.772) 13.350 15.142 ( -9.728 -2.609 -1.718) 10.218 15.417 ( -7.917 12.292 12.269) 19.087 15.706 ( -3.820 -3.454 2.059) 5.547 15.910 ( 20.923 -17.881 -11.330) 29.764 16.319 ( 7.928 4.364 -8.041) 12.106 16.689 ( 15.265 8.988 7.179) 19.114 17.118 ( 4.144 -7.443 16.737) 18.780 18.024 ( -11.830 -7.500 7.952) 16.107 19.037 ( -9.019 -12.810 3.907) 16.146 19.628 ( -0.324 -2.470 1.494) 2.905 19.888 ( 11.167 -7.048 -14.859) 19.879 21.938 ( 1.639 3.328 4.016) 5.467 22.029 ( -1.181 2.894 -4.086) 5.145 22.746 ( -18.351 10.892 8.923) 23.130 25.353 ( 18.701 -1.798 -13.342) 23.043 ======================= Grid point 243 (92/231) ======================= q-point: ( 0.38 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.765 ( -0.000 25.482 29.157) 38.723 6.085 ( -0.000 38.912 32.524) 50.715 8.235 ( 0.000 -4.040 -18.618) 19.051 8.641 ( -0.000 -0.976 15.365) 15.396 8.887 ( -0.000 53.604 29.696) 61.280 10.052 ( 0.000 -4.361 -14.166) 14.822 10.781 ( 0.000 -11.170 -12.692) 16.907 11.280 ( -0.000 -18.070 13.704) 22.679 11.499 ( -0.000 -19.568 -0.624) 19.578 11.781 ( 0.000 -34.395 -27.216) 43.860 12.083 ( -0.000 -17.454 9.802) 20.018 12.242 ( -0.000 -2.626 7.137) 7.605 12.280 ( 0.000 12.481 -4.099) 13.137 13.773 ( 0.000 -0.559 -8.923) 8.940 14.353 ( 0.000 -2.718 -9.775) 10.146 14.367 ( -0.000 -8.633 0.317) 8.639 14.869 ( -0.000 -16.207 0.561) 16.216 15.581 ( 0.000 12.412 -7.386) 14.443 16.411 ( -0.000 0.280 5.593) 5.600 16.806 ( -0.000 -24.981 18.772) 31.248 17.545 ( -0.000 11.125 8.055) 13.735 18.180 ( -0.000 9.727 3.324) 10.280 18.551 ( 0.000 14.604 -0.121) 14.605 19.293 ( -0.000 0.939 2.182) 2.375 19.496 ( 0.000 -1.572 -1.594) 2.239 20.333 ( -0.000 13.241 2.866) 13.548 21.407 ( 0.000 15.157 -3.066) 15.464 21.946 ( 0.000 5.663 -11.583) 12.893 22.642 ( -0.000 -12.686 18.555) 22.477 24.631 ( 0.000 -18.024 -19.930) 26.872 ======================= Grid point 244 (93/231) ======================= q-point: ( 0.46 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.170 ( 6.152 17.119 23.173) 29.460 6.581 ( -3.254 33.830 29.590) 45.062 8.160 ( 3.384 1.740 -13.185) 13.723 8.703 ( -5.343 2.113 17.732) 18.639 9.547 ( 6.498 38.792 9.522) 40.468 9.819 ( -11.607 -7.937 -12.693) 18.943 10.658 ( 3.453 -9.823 -4.214) 11.232 10.973 ( -16.862 -18.123 7.037) 25.735 11.228 ( -6.388 -27.803 -20.226) 34.970 11.392 ( 5.218 -13.462 -2.001) 14.576 12.062 ( 6.639 -12.362 3.539) 14.472 12.312 ( 3.812 4.407 5.732) 8.173 12.530 ( 12.912 6.727 5.358) 15.514 13.614 ( -6.249 -14.989 -12.293) 20.367 14.127 ( -4.861 8.765 -3.725) 10.693 14.485 ( 13.656 -13.260 -2.790) 19.238 14.916 ( 22.525 -16.427 -2.220) 27.967 15.654 ( -0.794 15.296 -11.165) 18.953 16.399 ( -8.169 1.968 8.279) 11.797 16.717 ( 3.369 -22.671 18.736) 29.603 17.348 ( -37.965 8.741 3.710) 39.134 18.275 ( -1.197 9.223 9.077) 12.996 18.704 ( 4.481 2.065 -2.834) 5.690 19.260 ( -0.641 8.011 -21.956) 23.381 19.532 ( 0.779 -2.602 19.768) 19.954 20.416 ( -6.259 9.807 1.734) 11.763 21.583 ( 1.996 18.508 0.453) 18.620 21.988 ( 6.038 5.988 -8.089) 11.737 22.687 ( 7.525 -10.341 15.113) 19.798 24.318 ( -2.629 -19.351 -19.316) 27.468 ======================= Grid point 245 (94/231) ======================= q-point: ( 0.54 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.547 ( 11.225 8.163 16.444) 21.519 6.968 ( -3.274 26.844 24.285) 36.347 8.168 ( -1.420 2.137 -4.811) 5.453 8.731 ( -4.486 3.560 14.284) 15.390 9.375 ( -24.995 -9.660 -8.197) 28.023 9.650 ( -16.658 1.960 -11.132) 20.131 10.499 ( -0.547 -18.757 -7.929) 20.372 10.820 ( 6.420 -9.230 -7.734) 13.646 11.103 ( 12.389 9.455 8.972) 17.983 11.331 ( 1.364 -8.861 -0.795) 9.000 12.071 ( 4.647 -7.883 0.670) 9.175 12.490 ( 8.082 4.391 4.451) 10.219 12.804 ( 11.601 0.989 -3.004) 12.024 13.330 ( -5.121 -1.853 0.936) 5.526 14.219 ( 7.444 3.179 -3.795) 8.939 14.611 ( 20.481 -12.992 -3.397) 24.491 15.165 ( 27.076 -15.711 -1.411) 31.336 15.688 ( -4.470 14.685 -13.216) 20.256 16.288 ( -13.017 1.825 7.194) 14.984 16.670 ( -50.522 4.855 3.203) 50.856 16.711 ( 3.999 -18.366 15.420) 24.312 18.390 ( -3.508 8.023 13.264) 15.894 18.620 ( -5.204 -7.080 -11.837) 14.741 19.240 ( -1.661 13.052 -12.351) 18.046 19.653 ( 3.266 -1.580 12.460) 12.978 20.313 ( -15.269 4.174 1.935) 15.947 21.777 ( 3.263 9.909 1.402) 10.526 22.141 ( 5.424 10.233 1.466) 11.674 22.900 ( 18.782 -3.161 6.992) 20.289 23.969 ( -5.178 -17.865 -17.401) 25.471 ======================= Grid point 246 (95/231) ======================= q-point: ( 0.62 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.865 ( 12.907 -0.402 10.716) 16.780 7.268 ( 0.235 17.898 14.895) 23.287 7.994 ( -18.661 -4.063 4.319) 19.580 8.732 ( -29.777 -8.272 -1.270) 30.930 8.883 ( 5.299 0.680 -0.517) 5.367 9.217 ( -21.032 -4.539 -7.959) 22.941 10.360 ( 3.152 -8.024 -4.322) 9.643 10.847 ( 14.541 -7.501 -14.890) 22.123 11.242 ( -2.811 -5.087 6.908) 9.027 11.569 ( 15.689 12.760 9.716) 22.436 12.085 ( 3.917 -2.162 -2.349) 5.053 12.596 ( 5.068 -0.022 -17.118) 17.852 12.918 ( 13.352 -5.007 7.276) 16.009 13.559 ( 11.628 20.368 6.711) 24.394 14.319 ( 9.651 -8.684 -0.195) 12.985 14.851 ( 21.377 -6.872 -2.307) 22.573 15.460 ( 10.092 -7.113 -0.745) 12.369 15.465 ( -25.877 5.256 -9.809) 28.168 16.001 ( -20.847 3.272 -1.234) 21.139 16.114 ( -16.214 1.839 6.418) 17.535 16.739 ( 5.892 -15.002 13.928) 21.302 18.323 ( -12.195 -5.565 -18.779) 23.072 18.463 ( -6.078 5.364 16.563) 18.441 19.268 ( -1.273 9.095 -6.882) 11.476 19.730 ( 0.510 -1.119 7.011) 7.118 20.069 ( -16.797 -0.121 1.050) 16.830 21.866 ( 1.197 -1.300 5.087) 5.385 22.331 ( 1.321 12.450 3.063) 12.889 23.295 ( 26.960 2.018 -0.068) 27.035 23.638 ( -7.056 -11.354 -11.825) 17.848 ======================= Grid point 247 (96/231) ======================= q-point: (-0.31 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.997 ( -4.722 -6.141 6.859) 10.347 7.453 ( 3.825 2.740 -3.013) 5.587 7.689 ( -11.547 -4.668 11.000) 16.617 8.101 ( -31.886 -6.903 -1.865) 32.677 8.769 ( -15.293 -2.948 0.659) 15.588 9.198 ( 17.434 3.159 -4.645) 18.317 10.361 ( 1.853 -1.183 1.516) 2.670 10.891 ( 7.540 -3.761 -18.378) 20.218 11.274 ( 0.680 2.236 19.001) 19.145 11.923 ( 14.835 2.048 4.458) 15.625 12.127 ( 2.350 2.395 -2.303) 4.070 12.634 ( 14.577 7.534 -24.660) 29.620 13.220 ( 17.188 -1.532 15.358) 23.100 13.915 ( 4.214 17.448 -8.189) 19.729 14.336 ( -14.913 -7.832 4.568) 17.453 14.618 ( -28.199 -5.533 -3.068) 28.900 15.156 ( 16.173 -2.082 5.816) 17.312 15.679 ( 7.599 2.507 -8.888) 11.959 15.899 ( -13.882 2.586 5.223) 15.056 15.988 ( 9.667 -2.442 0.648) 9.991 16.784 ( 6.136 -12.574 12.344) 18.658 17.905 ( -20.152 -2.801 -21.329) 29.477 18.490 ( -8.092 2.886 17.994) 19.940 19.277 ( 0.044 3.449 -6.851) 7.670 19.717 ( -5.549 -2.444 4.662) 7.648 19.844 ( -7.149 -3.090 0.104) 7.789 21.881 ( -0.052 -3.873 6.658) 7.703 22.391 ( -3.832 3.605 -3.858) 6.524 23.417 ( -8.770 2.175 -0.254) 9.039 23.778 ( 29.661 2.863 -4.458) 30.130 ======================= Grid point 248 (97/231) ======================= q-point: (-0.23 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.632 ( -34.164 -2.858 6.955) 34.982 7.394 ( -36.347 1.653 -0.495) 36.388 7.467 ( 11.888 -13.120 -9.402) 20.047 7.875 ( 13.348 -10.316 7.695) 18.542 8.644 ( -4.650 6.932 6.417) 10.529 9.488 ( 22.957 -4.696 -8.795) 25.029 10.380 ( -3.175 1.934 5.418) 6.571 10.835 ( 2.055 -1.903 -12.437) 12.749 11.482 ( 1.201 11.184 17.428) 20.743 12.167 ( 10.467 0.601 -1.905) 10.656 12.184 ( 6.796 1.047 0.325) 6.884 12.902 ( 21.020 14.622 -23.008) 34.424 13.294 ( -59.481 4.274 8.241) 60.201 13.657 ( 11.962 -0.277 15.264) 19.395 14.108 ( -0.723 11.660 -11.750) 16.570 14.672 ( 27.401 -26.315 -3.003) 38.109 15.385 ( -0.676 7.001 2.271) 7.391 15.660 ( 4.198 -4.079 0.386) 5.866 15.848 ( -3.096 8.600 2.916) 9.594 16.143 ( 8.156 -1.237 -1.443) 8.374 16.857 ( 6.537 -9.752 13.106) 17.595 17.383 ( -26.692 0.399 -21.000) 33.965 18.466 ( -9.923 -0.214 18.293) 20.812 19.246 ( 1.276 -3.199 -7.861) 8.582 19.611 ( -3.291 -4.650 3.418) 6.644 19.759 ( -1.059 -5.064 -2.207) 5.625 21.886 ( -0.355 -2.200 6.416) 6.792 22.259 ( -5.687 -3.151 -9.106) 11.188 23.359 ( -12.226 13.261 9.304) 20.295 24.237 ( 28.873 1.100 -7.789) 29.925 ======================= Grid point 249 (98/231) ======================= q-point: (-0.15 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.069 ( -40.483 3.478 10.582) 41.988 6.771 ( -43.265 4.415 1.164) 43.505 7.516 ( 15.849 -13.436 -5.313) 21.446 8.115 ( 23.523 -12.759 4.439) 27.126 8.773 ( 8.096 5.562 2.845) 10.227 9.707 ( 19.225 -11.405 -11.735) 25.246 10.340 ( -12.265 5.618 9.731) 16.634 10.814 ( 3.204 0.612 -5.372) 6.284 11.614 ( -10.853 9.040 1.505) 14.205 12.108 ( -25.862 10.247 5.442) 28.345 12.371 ( 13.955 -4.399 -2.927) 14.921 12.630 ( -19.675 10.077 19.335) 29.368 13.264 ( 20.274 15.287 -19.582) 32.065 13.920 ( 4.164 2.474 3.778) 6.143 14.235 ( 11.273 8.464 -3.752) 14.588 14.812 ( 27.937 -33.757 -6.670) 44.323 15.308 ( -8.761 7.396 3.141) 11.888 15.747 ( 2.089 -6.580 0.927) 6.966 15.975 ( 6.254 8.083 1.801) 10.378 16.181 ( -1.926 4.216 -4.288) 6.314 16.853 ( -21.938 2.436 -10.442) 24.418 16.975 ( 3.618 -4.780 11.353) 12.839 18.381 ( -11.390 -3.391 16.492) 20.328 19.168 ( 1.675 -10.366 -5.669) 11.933 19.583 ( 2.607 -5.707 3.326) 7.101 19.655 ( -0.429 -7.018 -9.166) 11.552 21.911 ( 0.108 0.551 5.860) 5.887 22.105 ( -3.423 -1.416 -7.898) 8.724 23.333 ( -16.826 16.271 12.150) 26.372 24.624 ( 26.082 -1.652 -10.988) 28.350 ======================= Grid point 250 (99/231) ======================= q-point: (-0.08 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.553 ( -41.121 11.052 16.452) 45.648 6.110 ( -47.599 7.087 5.452) 48.431 7.668 ( 17.663 -9.730 -0.119) 20.166 8.437 ( 28.064 -12.282 2.575) 30.742 8.994 ( 15.965 -1.850 -2.922) 16.335 9.652 ( -12.908 -5.235 -7.205) 15.682 10.236 ( -11.958 5.913 11.454) 17.582 10.879 ( 4.696 0.028 0.075) 4.697 11.256 ( -22.490 -0.330 1.419) 22.538 12.043 ( -4.121 15.666 3.851) 16.651 12.506 ( 6.759 -3.361 2.375) 7.913 12.802 ( 4.868 14.166 12.688) 19.630 13.550 ( 15.741 7.442 -24.394) 29.970 14.008 ( -0.301 13.794 -0.859) 13.824 14.362 ( -2.385 1.057 2.510) 3.620 14.842 ( 21.240 -34.865 -7.163) 41.449 15.482 ( 14.195 10.137 1.781) 17.534 15.620 ( -6.841 -5.918 2.368) 9.350 15.900 ( -15.707 -0.688 -5.364) 16.611 16.220 ( 3.322 4.516 -11.235) 12.556 16.710 ( 0.482 12.294 7.014) 14.163 17.091 ( 4.828 -4.885 16.463) 17.838 18.220 ( -13.829 -6.252 11.292) 18.916 19.022 ( -3.110 -16.780 2.252) 17.213 19.543 ( 4.651 -5.301 -16.030) 17.513 19.607 ( 4.824 -6.401 1.357) 8.130 21.968 ( 1.001 2.430 4.257) 5.003 22.040 ( -0.507 1.860 -4.561) 4.952 23.253 ( -20.563 15.923 12.131) 28.697 24.911 ( 22.296 -4.425 -14.216) 26.810 ======================= Grid point 257 (100/231) ======================= q-point: ( 0.46 0.46 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.358 ( -0.000 7.814 18.100) 19.715 7.070 ( -0.000 28.572 24.588) 37.695 8.109 ( 0.000 7.054 -9.164) 11.565 8.875 ( -0.000 1.987 16.640) 16.758 9.778 ( 0.000 -5.350 -11.953) 13.096 9.838 ( 0.000 28.140 -10.592) 30.067 10.576 ( -0.000 -2.180 9.036) 9.295 10.783 ( 0.000 -26.171 -28.259) 38.516 11.129 ( -0.000 -21.663 -2.162) 21.770 11.167 ( -0.000 -9.359 16.268) 18.768 11.868 ( -0.000 -14.085 3.031) 14.408 12.454 ( -0.000 7.520 16.499) 18.132 12.545 ( -0.000 13.978 4.206) 14.597 13.436 ( 0.000 -13.869 -16.422) 21.495 14.199 ( 0.000 -7.967 -3.146) 8.566 14.323 ( 0.000 4.204 -3.374) 5.390 14.466 ( -0.000 -22.068 -2.151) 22.173 15.734 ( 0.000 15.955 -13.695) 21.027 16.550 ( -0.000 2.520 9.586) 9.911 16.582 ( -0.000 -21.643 18.002) 28.151 17.862 ( -0.000 11.120 6.294) 12.777 18.314 ( -0.000 0.194 3.057) 3.063 18.645 ( 0.000 1.043 -5.576) 5.673 19.168 ( 0.000 6.558 -23.045) 23.960 19.636 ( -0.000 -3.859 22.484) 22.812 20.560 ( 0.000 11.741 -4.134) 12.448 21.818 ( -0.000 22.382 8.232) 23.848 21.900 ( 0.000 5.752 -13.852) 14.999 22.613 ( -0.000 -12.709 17.117) 21.320 24.051 ( 0.000 -18.904 -16.614) 25.167 ======================= Grid point 258 (101/231) ======================= q-point: ( 0.54 0.46 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.534 ( 5.761 0.636 13.028) 14.259 7.380 ( -4.154 18.210 17.485) 25.585 8.158 ( 2.611 6.893 -6.923) 10.112 8.899 ( -5.842 -4.168 9.414) 11.837 9.566 ( -12.684 -2.558 -14.663) 19.556 9.867 ( -9.570 11.404 -17.399) 22.899 10.397 ( -10.950 -13.968 1.649) 17.825 10.546 ( 0.930 -12.212 -5.566) 13.453 11.101 ( 12.829 2.059 5.707) 14.192 11.258 ( 2.155 1.831 13.865) 14.151 11.838 ( 9.878 -15.171 2.177) 18.234 12.590 ( -4.047 10.532 9.741) 14.906 12.680 ( 2.094 -0.050 -3.798) 4.337 13.291 ( 6.997 -4.508 -3.131) 8.893 14.121 ( -2.021 -12.474 -3.289) 13.058 14.254 ( 12.061 3.636 -3.737) 13.140 14.615 ( 21.751 -11.739 1.245) 24.748 15.784 ( -1.360 14.682 -14.481) 20.667 16.463 ( -4.804 -11.823 12.766) 18.050 16.615 ( 0.742 -5.861 10.074) 11.679 17.510 ( -43.284 4.297 0.877) 43.506 18.476 ( 7.881 -2.022 3.510) 8.861 18.575 ( -4.119 0.659 -6.208) 7.479 19.180 ( 7.353 9.741 -21.563) 24.777 19.713 ( -1.394 -4.244 20.534) 21.014 20.558 ( -8.789 6.688 -4.362) 11.875 21.839 ( -1.498 7.661 -7.487) 10.816 22.158 ( 8.391 14.977 4.640) 17.784 22.668 ( 9.322 -9.410 13.054) 18.597 23.792 ( -2.359 -13.252 -11.362) 17.614 ======================= Grid point 259 (102/231) ======================= q-point: ( 0.62 0.46 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.710 ( 10.189 -4.765 9.049) 14.436 7.475 ( -4.493 1.854 6.206) 7.883 8.166 ( -4.648 0.090 -4.986) 6.817 8.774 ( -2.083 -7.159 -2.141) 7.757 9.153 ( -25.375 -1.316 -11.745) 27.993 9.546 ( -24.642 4.147 -5.383) 25.561 10.268 ( 1.423 -1.275 4.353) 4.754 10.579 ( 7.367 2.898 -0.751) 7.952 11.227 ( 4.643 -3.741 6.043) 8.490 11.557 ( 8.546 10.585 13.269) 19.004 11.913 ( 12.458 -9.257 1.856) 15.632 12.446 ( -2.825 -4.128 -21.460) 22.035 12.824 ( 5.981 5.029 14.900) 16.825 13.495 ( 16.805 -1.437 -1.381) 16.922 14.031 ( 3.589 -6.456 -1.895) 7.625 14.584 ( 17.782 10.812 2.534) 20.964 14.898 ( 27.127 -11.636 1.935) 29.581 15.781 ( -5.249 12.243 -13.436) 18.920 16.331 ( -9.254 -6.031 6.812) 12.977 16.599 ( -3.563 -9.265 6.709) 11.981 16.759 ( -46.148 -1.019 4.041) 46.336 18.325 ( -7.615 -4.442 -17.666) 19.744 18.646 ( -0.365 3.388 11.971) 12.447 19.251 ( 4.063 7.022 -16.345) 18.248 19.757 ( -0.938 -3.218 12.174) 12.627 20.355 ( -16.886 1.028 -3.365) 17.249 21.861 ( 1.144 0.819 -0.120) 1.412 22.380 ( 4.614 4.486 -0.393) 6.448 22.906 ( 20.851 -3.303 4.188) 21.522 23.633 ( -4.288 0.574 -0.884) 4.415 ======================= Grid point 260 (103/231) ======================= q-point: (-0.31 -0.54 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.868 ( 11.725 -9.124 4.722) 15.589 7.362 ( -0.270 -15.794 -5.323) 16.669 7.906 ( -18.359 -6.648 -2.932) 19.744 8.558 ( -27.184 -0.334 -8.665) 28.534 8.844 ( 5.450 -0.120 -4.550) 7.101 9.231 ( -20.797 9.342 3.374) 23.048 10.369 ( 2.226 5.597 6.866) 9.134 10.701 ( 5.106 4.128 -9.271) 11.360 11.391 ( 5.615 6.340 20.290) 21.987 11.745 ( 7.977 -7.763 6.666) 12.974 12.089 ( 7.734 5.001 2.181) 9.465 12.358 ( 9.512 4.497 -21.009) 23.496 13.100 ( 10.919 4.570 16.951) 20.675 13.690 ( 24.647 -20.705 -11.739) 34.264 14.075 ( 2.422 6.861 -4.065) 8.334 14.953 ( 12.092 6.128 10.087) 16.897 15.316 ( 24.688 2.806 -4.245) 25.207 15.525 ( -36.216 4.675 -3.279) 36.663 16.033 ( -20.676 2.697 -2.583) 21.010 16.161 ( -12.850 -4.917 6.464) 15.201 16.640 ( 5.818 -11.766 9.615) 16.271 18.011 ( -12.959 -2.091 -22.235) 25.821 18.716 ( -3.508 1.440 14.888) 15.363 19.232 ( -0.341 1.475 -13.134) 13.221 19.757 ( -1.801 -3.237 4.118) 5.539 20.041 ( -17.572 -2.093 -2.766) 17.911 21.880 ( 0.692 -3.163 5.873) 6.706 22.371 ( -0.181 -6.497 -8.339) 10.573 23.293 ( 27.582 -0.652 -2.760) 27.727 23.661 ( -6.240 15.193 10.618) 19.557 ======================= Grid point 261 (104/231) ======================= q-point: (-0.23 -0.54 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.937 ( 7.299 -12.793 -1.331) 14.789 7.162 ( -3.122 -15.207 -6.544) 16.847 7.555 ( -5.629 -13.562 -2.332) 14.868 8.037 ( -34.607 6.140 -3.811) 35.354 8.980 ( 5.940 3.680 0.373) 6.998 9.087 ( -6.400 5.839 1.211) 8.748 10.483 ( -0.723 6.597 7.228) 9.813 10.719 ( 2.990 2.154 -12.684) 13.208 11.705 ( 4.666 11.013 21.296) 24.425 11.844 ( 11.169 -7.438 1.442) 13.496 12.256 ( 3.556 9.713 7.305) 12.663 12.562 ( 18.750 10.271 -18.694) 28.400 13.457 ( 14.711 4.333 18.687) 24.174 13.789 ( 27.925 -31.796 -13.723) 44.487 14.133 ( -3.413 11.970 -8.370) 15.000 14.583 ( -58.849 4.089 0.706) 58.995 15.322 ( 15.382 1.037 7.976) 17.358 15.680 ( -1.616 8.157 -4.181) 9.308 15.940 ( 8.771 -0.925 1.540) 8.953 16.022 ( -4.539 0.932 4.219) 6.267 16.716 ( 8.581 -9.320 10.028) 16.158 17.607 ( -18.291 -0.255 -24.379) 30.479 18.730 ( -7.583 -0.357 17.473) 19.051 19.121 ( -1.124 -5.186 -13.566) 14.567 19.663 ( -6.326 -6.874 1.446) 9.453 19.780 ( -8.604 -2.186 -3.649) 9.598 21.903 ( 0.640 -2.610 7.570) 8.033 22.217 ( -2.495 -7.166 -10.043) 12.587 23.713 ( 26.997 -0.519 -5.821) 27.622 23.783 ( -8.283 18.982 13.783) 24.878 ======================= Grid point 262 (105/231) ======================= q-point: (-0.15 0.46 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.775 ( -30.733 7.404 8.846) 32.826 6.983 ( 18.673 -21.362 -14.109) 31.687 7.496 ( -24.419 2.769 2.299) 24.683 7.556 ( 9.291 -16.912 -3.870) 19.680 8.993 ( -13.531 13.676 11.667) 22.500 9.204 ( 19.934 -8.927 -11.536) 24.701 10.562 ( -2.723 7.348 7.879) 11.112 10.723 ( 3.998 2.530 -10.139) 11.189 11.885 ( -7.432 10.402 9.189) 15.744 11.994 ( 16.662 -7.928 -4.430) 18.976 12.502 ( 0.085 17.009 18.498) 25.129 12.864 ( 20.760 7.556 -20.705) 30.278 13.551 ( -47.141 4.390 18.216) 50.729 13.902 ( 28.156 -30.192 -20.101) 45.917 13.916 ( 7.756 3.198 19.196) 20.950 14.203 ( -0.644 13.235 -12.790) 18.416 15.545 ( -10.463 4.294 2.570) 11.598 15.586 ( 10.464 -3.270 -1.698) 11.093 16.026 ( 0.213 2.866 8.591) 9.059 16.141 ( 6.916 1.825 -3.795) 8.097 16.857 ( 9.148 -5.554 11.196) 15.488 17.165 ( -19.505 3.493 -21.416) 29.177 18.663 ( -12.568 -2.145 18.340) 22.336 18.956 ( 1.559 -11.992 -14.195) 18.648 19.526 ( -1.432 -8.555 3.013) 9.182 19.617 ( -6.257 -3.835 -6.716) 9.949 21.944 ( 0.746 -0.190 6.891) 6.934 22.080 ( -1.664 -2.539 -7.863) 8.429 23.851 ( -15.597 19.766 15.692) 29.669 24.095 ( 27.642 -4.170 -11.258) 30.137 ======================= Grid point 263 (106/231) ======================= q-point: (-0.08 0.46 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.387 ( -36.022 14.792 13.118) 41.091 6.916 ( -32.689 7.276 -1.787) 33.536 7.176 ( 17.783 -13.476 -2.595) 22.463 7.755 ( 32.047 -24.966 -1.074) 40.638 8.988 ( -6.839 8.951 6.361) 12.937 9.342 ( 16.121 -10.773 -11.203) 22.394 10.628 ( -5.951 10.482 9.652) 15.442 10.790 ( 6.643 2.244 -3.973) 8.059 11.752 ( -25.389 7.466 0.952) 26.481 12.113 ( 9.131 -4.294 -6.546) 12.027 12.644 ( -16.349 13.726 17.988) 27.916 13.000 ( 1.006 8.142 0.172) 8.206 13.268 ( 2.003 6.727 0.782) 7.062 13.913 ( 27.235 -34.446 -18.756) 47.749 14.196 ( 0.645 15.943 2.976) 16.232 14.365 ( 12.166 6.219 -1.923) 13.798 15.496 ( -1.546 4.302 6.721) 8.128 15.611 ( 0.693 -6.092 -3.518) 7.069 16.057 ( -7.488 -0.972 0.861) 7.600 16.152 ( 0.984 -0.915 -8.125) 8.235 16.901 ( -6.645 10.829 -2.982) 13.050 17.042 ( 8.354 -2.475 11.973) 14.808 18.493 ( -16.912 -3.617 12.399) 21.280 18.816 ( 6.457 -16.911 -7.061) 19.431 19.421 ( -6.426 -4.020 -10.222) 12.726 19.495 ( 3.821 -8.297 4.731) 10.287 22.000 ( 0.688 1.722 4.502) 4.869 22.027 ( 0.395 1.345 -4.679) 4.884 23.823 ( -20.383 18.029 13.964) 30.586 24.392 ( 24.897 -6.797 -14.551) 29.628 ======================= Grid point 271 (107/231) ======================= q-point: ( 0.54 0.54 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.536 ( -0.000 -4.837 10.086) 11.186 7.587 ( -0.000 0.952 7.709) 7.767 8.139 ( 0.000 4.710 -10.401) 11.417 8.911 ( -0.000 -10.031 -0.273) 10.035 9.531 ( 0.000 0.726 -24.480) 24.491 9.944 ( 0.000 15.056 -16.268) 22.165 10.485 ( -0.000 8.055 17.439) 19.209 10.700 ( -0.000 -4.436 13.866) 14.558 10.840 ( -0.000 -7.607 5.402) 9.330 11.382 ( -0.000 8.921 8.499) 12.321 11.591 ( -0.000 -21.082 5.129) 21.697 12.654 ( 0.000 -7.625 -4.398) 8.803 12.712 ( 0.000 -0.375 -9.767) 9.774 13.155 ( -0.000 5.591 3.554) 6.625 14.029 ( -0.000 0.065 3.284) 3.285 14.229 ( -0.000 -7.231 7.055) 10.103 14.360 ( 0.000 2.703 -2.044) 3.389 15.841 ( 0.000 13.864 -14.846) 20.313 16.426 ( -0.000 -15.996 14.380) 21.509 16.629 ( -0.000 -4.498 3.240) 5.544 17.996 ( 0.000 0.403 -6.193) 6.206 18.281 ( -0.000 -3.912 -0.499) 3.944 18.600 ( 0.000 2.468 -1.622) 2.953 19.057 ( 0.000 9.758 -22.598) 24.615 19.812 ( -0.000 -6.648 23.428) 24.353 20.652 ( 0.000 6.342 -9.497) 11.420 21.846 ( 0.000 7.157 -14.772) 16.414 22.221 ( -0.000 5.375 4.158) 6.796 22.583 ( -0.000 -11.258 15.665) 19.291 23.702 ( 0.000 -0.400 -1.142) 1.210 ======================= Grid point 272 (108/231) ======================= q-point: (-0.38 -0.46 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.559 ( 5.454 -10.733 6.481) 13.672 7.476 ( -4.230 -18.850 -3.990) 19.727 8.127 ( 2.329 2.327 -11.860) 12.308 8.727 ( -5.194 -10.813 -10.339) 15.836 9.371 ( -9.591 8.366 -16.349) 20.719 9.953 ( -12.830 18.241 -9.963) 24.426 10.406 ( -16.308 -2.056 17.022) 23.663 10.706 ( -4.998 12.920 19.453) 23.882 11.122 ( 12.073 2.588 9.789) 15.757 11.503 ( 16.040 -27.671 6.830) 32.704 11.618 ( 9.372 11.805 8.243) 17.180 12.350 ( -7.637 -8.344 -19.946) 22.930 12.757 ( 14.150 -8.861 -9.092) 19.011 13.275 ( -2.363 7.619 7.265) 10.790 14.122 ( -5.924 6.964 9.726) 13.349 14.359 ( 22.904 7.445 2.014) 24.167 14.526 ( 13.490 -1.297 6.908) 15.211 15.864 ( -1.818 12.559 -14.219) 19.058 16.364 ( -0.995 -12.228 10.578) 16.199 16.549 ( -1.490 -10.472 0.464) 10.587 17.504 ( -40.606 -2.370 -4.861) 40.964 18.271 ( -1.862 -4.115 -13.560) 14.292 18.683 ( 4.306 3.116 3.769) 6.517 19.103 ( 8.678 8.224 -19.171) 22.593 19.848 ( -3.671 -6.375 19.156) 20.520 20.551 ( -9.963 1.210 -9.325) 13.699 21.842 ( 1.219 5.346 -9.069) 10.598 22.257 ( 5.538 -8.395 -3.937) 10.800 22.646 ( 9.703 -8.375 10.951) 16.858 23.785 ( -1.741 14.842 10.064) 18.017 ======================= Grid point 273 (109/231) ======================= q-point: (-0.31 -0.46 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.575 ( 10.135 -17.886 -0.423) 20.562 7.113 ( -3.103 -31.627 -10.917) 33.602 8.069 ( -7.487 2.218 -8.300) 11.396 8.509 ( 1.495 -7.141 -15.701) 17.314 9.146 ( -22.441 11.887 -6.352) 26.177 9.755 ( -23.587 15.871 5.652) 28.986 10.460 ( 2.726 9.556 9.322) 13.625 10.703 ( -5.971 0.460 -2.603) 6.530 11.388 ( 8.786 -9.788 12.797) 18.351 11.608 ( 11.228 -2.140 22.448) 25.190 11.973 ( 13.567 5.907 2.053) 14.939 12.183 ( 4.883 5.039 -12.873) 14.661 12.863 ( 21.015 -14.748 -15.184) 29.827 13.334 ( -3.444 7.003 11.440) 13.849 14.163 ( -1.729 10.390 -0.326) 10.538 14.753 ( 19.826 -7.630 6.753) 22.291 14.985 ( 25.084 19.089 9.462) 32.910 15.829 ( -7.178 10.064 -13.177) 18.068 16.245 ( -6.292 -10.061 3.087) 12.261 16.466 ( 3.122 -11.265 4.072) 12.378 16.729 ( -46.617 -3.991 -0.273) 46.788 18.040 ( -9.261 -2.430 -20.329) 22.471 18.766 ( 2.906 -0.762 0.709) 3.087 19.184 ( 2.816 5.431 -10.546) 12.192 19.806 ( -5.114 -5.340 9.553) 12.080 20.269 ( -16.365 -3.190 -7.579) 18.315 21.865 ( 1.639 -0.855 1.490) 2.375 22.203 ( 3.986 -11.010 -8.161) 14.273 22.870 ( 20.229 -4.573 1.913) 20.828 24.003 ( -3.768 22.118 16.356) 27.765 ======================= Grid point 274 (110/231) ======================= q-point: (-0.23 -0.46 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.494 ( 10.202 -28.132 -14.972) 33.461 6.803 ( 10.952 -30.954 -4.265) 33.110 7.811 ( -20.868 3.857 -4.821) 21.763 8.444 ( -2.007 1.355 -12.418) 12.652 8.862 ( -17.455 10.560 -2.293) 20.529 9.605 ( -20.460 14.496 12.157) 27.866 10.588 ( 0.163 -4.239 -10.063) 10.920 10.642 ( 0.877 10.726 4.684) 11.737 11.459 ( 13.862 -14.550 2.680) 20.274 11.906 ( 7.787 -3.701 17.808) 19.785 12.249 ( 12.749 14.552 2.517) 19.509 12.398 ( 7.305 14.039 5.115) 16.632 12.966 ( 23.242 -16.460 -20.776) 35.253 13.480 ( 3.495 6.650 18.020) 19.524 14.239 ( -0.352 11.902 -5.546) 13.136 15.053 ( 18.964 -2.464 5.296) 19.843 15.487 ( -34.200 11.302 -6.875) 36.669 15.606 ( 16.209 7.618 5.851) 18.841 16.035 ( -25.515 -1.922 -0.205) 25.588 16.090 ( -3.112 -8.487 4.600) 10.142 16.532 ( 9.094 -7.670 4.773) 12.818 17.704 ( -13.342 -1.952 -23.796) 27.351 18.768 ( 2.718 -6.526 -5.498) 8.956 19.156 ( -7.267 3.649 0.323) 8.138 19.700 ( -5.865 -6.868 2.550) 9.385 19.924 ( -15.066 -4.283 -6.316) 16.888 21.901 ( 2.032 -2.978 7.136) 7.995 22.106 ( 0.909 -6.829 -8.099) 10.633 23.200 ( 25.880 -4.177 -5.252) 26.736 24.228 ( -7.651 22.717 18.010) 29.982 ======================= Grid point 275 (111/231) ======================= q-point: (-0.15 -0.46 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.324 ( 18.824 -29.772 -17.701) 39.421 6.796 ( 22.126 -29.117 -1.827) 36.615 7.473 ( -25.125 8.286 -0.551) 26.462 8.183 ( -30.046 12.816 -3.304) 32.831 8.853 ( 8.047 2.224 -5.679) 10.097 9.479 ( -19.715 11.181 13.518) 26.391 10.544 ( 7.719 -3.765 -11.952) 14.717 10.734 ( -2.384 8.731 2.695) 9.444 11.606 ( 17.602 -13.659 0.888) 22.297 12.061 ( 5.546 -2.572 10.217) 11.906 12.498 ( 11.841 5.168 -14.635) 19.522 12.747 ( 6.113 14.985 19.689) 25.487 13.093 ( 20.016 -7.074 -14.736) 25.843 13.775 ( 12.701 5.652 16.466) 21.550 14.297 ( -2.033 12.896 -6.829) 14.733 14.702 ( -56.371 4.437 5.539) 56.816 15.351 ( 15.035 1.752 -1.637) 15.225 15.751 ( -10.838 -2.449 0.537) 11.124 15.982 ( 12.350 3.070 1.354) 12.798 16.063 ( 1.811 -3.966 8.611) 9.652 16.687 ( 12.137 -2.096 3.628) 12.840 17.319 ( -14.600 0.015 -23.272) 27.473 18.658 ( 2.320 -13.843 -11.777) 18.322 19.038 ( -14.476 2.826 7.640) 16.610 19.518 ( -6.526 -10.838 4.508) 13.430 19.678 ( -8.439 -1.704 -6.315) 10.677 21.959 ( 2.095 -1.180 7.363) 7.746 22.028 ( -0.007 -1.575 -6.439) 6.628 23.537 ( 26.981 -6.196 -10.176) 29.494 24.370 ( -12.980 20.669 17.028) 29.760 ======================= Grid point 285 (112/231) ======================= q-point: (-0.38 -0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.401 ( -0.000 -19.130 1.125) 19.163 7.217 ( 0.000 -33.178 -11.754) 35.198 8.065 ( 0.000 5.939 -11.520) 12.961 8.590 ( 0.000 -9.994 -16.228) 19.059 9.483 ( 0.000 16.783 -11.144) 20.146 10.163 ( 0.000 23.261 -9.745) 25.219 10.784 ( -0.000 -18.231 20.968) 27.785 10.955 ( 0.000 -31.139 -9.011) 32.416 10.987 ( -0.000 12.262 14.331) 18.861 11.217 ( -0.000 23.848 36.654) 43.730 11.660 ( -0.000 5.139 5.359) 7.425 12.251 ( 0.000 -12.987 -15.408) 20.151 12.406 ( 0.000 -2.673 -20.284) 20.459 13.556 ( -0.000 15.769 16.678) 22.952 14.203 ( -0.000 2.438 2.854) 3.753 14.368 ( 0.000 0.560 -1.528) 1.627 14.426 ( -0.000 13.821 20.878) 25.039 15.914 ( 0.000 12.830 -13.913) 18.926 16.319 ( -0.000 -9.937 8.599) 13.141 16.426 ( 0.000 -16.262 -4.028) 16.753 17.769 ( 0.000 -7.366 -16.083) 17.689 18.193 ( 0.000 -1.576 -5.896) 6.103 18.672 ( 0.000 3.131 -0.404) 3.157 18.964 ( 0.000 7.208 -20.450) 21.683 19.945 ( -0.000 -7.757 22.316) 23.625 20.570 ( 0.000 -0.484 -13.098) 13.107 21.830 ( 0.000 9.144 -13.333) 16.167 22.061 ( 0.000 -16.255 -3.055) 16.540 22.558 ( -0.000 -9.970 13.019) 16.398 24.056 ( -0.000 22.386 16.056) 27.549 ======================= Grid point 286 (113/231) ======================= q-point: (-0.31 -0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.211 ( 5.596 -27.727 -7.359) 29.227 6.752 ( -3.274 -40.560 -15.587) 43.575 8.115 ( 1.960 10.867 -5.868) 12.504 8.377 ( -3.708 -6.505 -16.337) 17.971 9.520 ( -10.814 19.857 -7.746) 23.901 10.215 ( -14.193 -4.716 -1.354) 15.017 10.413 ( 6.305 -14.270 -8.137) 17.595 10.817 ( -8.661 1.479 11.899) 14.792 11.222 ( 1.527 -2.540 9.693) 10.136 11.643 ( 4.047 5.853 17.783) 19.154 11.895 ( 11.843 17.244 14.023) 25.184 12.109 ( 4.948 3.805 -3.117) 6.977 12.411 ( 11.808 -1.333 -15.673) 19.668 13.673 ( -11.530 13.945 15.898) 24.086 14.289 ( -5.151 3.123 0.636) 6.058 14.416 ( 17.705 -0.589 4.405) 18.254 14.869 ( 18.887 14.014 15.753) 28.307 15.933 ( -2.978 13.092 -13.582) 19.098 16.197 ( -2.775 -18.094 -2.402) 18.463 16.319 ( 3.541 -7.206 3.159) 8.628 17.328 ( -31.572 -6.013 -10.125) 33.697 18.045 ( -8.471 -2.371 -15.219) 17.578 18.681 ( 1.472 -1.183 -8.839) 9.038 19.050 ( 12.420 5.337 -11.663) 17.854 19.940 ( -7.229 -6.589 17.768) 20.282 20.390 ( -9.652 -4.351 -12.197) 16.151 21.835 ( 0.728 0.134 -3.075) 3.163 21.971 ( 6.755 -8.235 -6.606) 12.534 22.606 ( 8.772 -8.261 7.973) 14.448 24.367 ( -1.645 24.152 18.395) 30.404 ======================= Grid point 287 (114/231) ======================= q-point: (-0.23 -0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.953 ( 7.234 -35.434 -19.659) 41.163 6.282 ( 6.217 -41.035 -10.449) 42.799 8.085 ( -11.863 3.881 -8.555) 15.132 8.327 ( 6.447 9.055 -5.410) 12.362 9.392 ( -23.305 19.943 -4.453) 30.994 9.870 ( 2.519 -32.426 -1.069) 32.541 10.421 ( -4.398 6.735 -8.507) 11.708 10.838 ( -4.484 10.683 8.704) 14.491 11.219 ( 2.274 -6.080 4.703) 8.016 11.675 ( 6.827 -9.450 -5.135) 12.739 12.299 ( 6.590 12.110 8.173) 16.028 12.461 ( 12.689 13.936 9.740) 21.215 12.583 ( 13.272 13.046 3.823) 18.999 13.712 ( -8.584 10.999 15.912) 21.162 14.279 ( 1.220 1.171 -0.262) 1.712 14.753 ( 19.516 3.388 2.798) 20.004 15.386 ( 20.803 5.732 9.973) 23.771 15.862 ( -9.448 9.417 -14.557) 19.745 16.013 ( 0.321 -13.870 3.985) 14.435 16.368 ( 4.993 -0.720 0.608) 5.081 16.629 ( -41.097 -3.751 -3.127) 41.386 17.741 ( -11.664 -3.388 -21.167) 24.404 18.598 ( 1.360 -6.808 -14.524) 16.098 19.214 ( 6.755 3.919 -4.287) 8.908 19.814 ( -11.415 -6.232 12.620) 18.122 20.071 ( -14.183 -5.930 -10.198) 18.448 21.853 ( 4.232 -5.855 6.269) 9.565 21.986 ( 3.495 -0.352 -7.021) 7.851 22.776 ( 17.538 -6.612 -0.546) 18.751 24.649 ( -4.639 22.756 18.545) 29.720 ======================= Grid point 288 (115/231) ======================= q-point: (-0.15 -0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.626 ( 14.345 -36.910 -22.326) 45.460 6.094 ( 20.761 -38.901 -7.196) 44.678 7.866 ( -14.990 6.491 -5.623) 17.276 8.489 ( -0.519 14.201 -1.705) 14.312 9.137 ( -25.859 17.951 -0.239) 31.480 9.704 ( 10.821 -27.411 -0.388) 29.472 10.305 ( -6.810 0.616 -5.229) 8.608 10.883 ( -4.865 8.498 0.628) 9.812 11.257 ( 7.905 -11.059 0.526) 13.604 11.772 ( 16.024 -1.781 -3.510) 16.501 12.490 ( 3.795 7.023 -0.795) 8.022 12.653 ( 5.224 7.648 -6.879) 11.537 13.115 ( 10.947 23.785 24.666) 35.972 13.808 ( -0.285 6.668 14.071) 15.574 14.326 ( 3.636 -0.143 -0.911) 3.751 15.120 ( 15.751 8.231 -1.845) 17.867 15.492 ( -18.869 0.725 -5.794) 19.752 15.811 ( -7.043 0.482 5.763) 9.113 15.875 ( -2.463 -14.999 6.056) 16.362 16.098 ( -7.187 4.501 3.609) 9.216 16.524 ( 8.475 6.891 -3.812) 11.569 17.384 ( -12.288 -2.564 -22.193) 25.497 18.427 ( 0.179 -12.848 -15.136) 19.854 19.249 ( -4.062 -0.544 -1.914) 4.523 19.627 ( -11.907 -6.786 12.971) 18.870 19.772 ( -10.470 -1.599 -6.776) 12.574 21.926 ( 4.395 -2.227 4.689) 6.801 21.991 ( 1.091 1.018 -2.400) 2.826 23.015 ( 22.505 -7.652 -7.467) 24.916 24.843 ( -9.419 19.978 17.058) 27.907 ======================= Grid point 299 (116/231) ======================= q-point: (-0.31 -0.31 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.804 ( 0.000 -35.561 -14.352) 38.348 6.273 ( 0.000 -45.949 -18.935) 49.698 8.187 ( 0.000 13.029 -1.775) 13.149 8.280 ( 0.000 -1.719 -14.487) 14.589 9.700 ( -0.000 -68.050 -7.964) 68.514 9.768 ( 0.000 23.192 -7.629) 24.415 10.503 ( 0.000 25.512 -11.936) 28.166 11.023 ( -0.000 2.123 12.492) 12.671 11.317 ( 0.000 5.104 0.385) 5.119 11.782 ( -0.000 5.292 1.975) 5.648 11.946 ( -0.000 8.307 10.788) 13.615 12.233 ( -0.000 21.927 28.983) 36.343 12.274 ( 0.000 5.213 -8.169) 9.690 14.014 ( -0.000 7.713 17.884) 19.477 14.275 ( -0.000 2.292 1.618) 2.806 14.376 ( 0.000 4.458 -0.109) 4.459 14.886 ( -0.000 6.757 16.595) 17.918 15.985 ( 0.000 -13.109 -14.764) 19.744 16.017 ( 0.000 6.437 -3.582) 7.366 16.285 ( -0.000 1.309 1.450) 1.953 17.425 ( 0.000 -7.122 -17.124) 18.546 18.057 ( 0.000 -2.305 -12.090) 12.308 18.621 ( 0.000 -4.963 -6.695) 8.334 18.844 ( 0.000 4.035 -17.060) 17.531 20.065 ( -0.000 -5.721 19.665) 20.480 20.342 ( 0.000 -6.365 -13.817) 15.213 21.764 ( -0.000 -13.045 3.553) 13.520 21.866 ( 0.000 9.512 -10.712) 14.326 22.509 ( -0.000 -9.582 8.938) 13.104 24.713 ( -0.000 23.473 18.697) 30.009 ======================= Grid point 300 (117/231) ======================= q-point: (-0.23 -0.31 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.380 ( 4.085 -40.893 -22.171) 46.695 5.718 ( 2.092 -48.498 -17.073) 51.458 8.172 ( -4.962 3.536 -11.283) 12.823 8.303 ( 8.305 -1.731 -4.098) 9.421 9.165 ( 9.767 -51.720 -2.841) 52.711 9.844 ( -11.696 22.696 -7.197) 26.527 10.646 ( -3.162 21.247 -10.270) 23.810 11.055 ( -5.221 7.581 6.019) 10.998 11.264 ( -4.848 -1.420 -4.678) 6.885 11.653 ( -11.755 3.646 4.043) 12.955 12.303 ( 4.405 6.853 -5.496) 9.827 12.375 ( 15.604 12.363 13.436) 24.018 12.705 ( 9.788 20.250 27.286) 35.360 14.068 ( -8.203 6.666 14.841) 18.220 14.240 ( -2.830 -8.077 3.186) 9.132 14.571 ( 12.160 11.382 2.043) 16.780 15.148 ( 16.467 -3.354 9.157) 19.138 15.765 ( 0.697 -16.018 -7.570) 17.731 16.078 ( -2.536 14.754 -5.528) 15.958 16.350 ( 1.757 9.131 -1.414) 9.405 17.090 ( -22.639 -4.459 -11.116) 25.613 17.801 ( -14.144 -4.139 -16.330) 21.997 18.452 ( -2.667 -7.458 -14.584) 16.596 18.979 ( 16.756 0.212 -9.909) 19.467 20.042 ( -10.140 -5.823 16.052) 19.860 20.129 ( -7.662 -6.012 -11.118) 14.781 21.743 ( 5.173 -7.333 7.348) 11.598 21.919 ( 2.956 6.766 -8.280) 11.094 22.519 ( 6.999 -8.888 4.063) 12.020 25.016 ( -2.062 21.225 18.006) 27.910 ======================= Grid point 301 (118/231) ======================= q-point: (-0.15 -0.31 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.921 ( 8.782 -43.213 -26.353) 51.371 5.336 ( 16.443 -47.050 -11.474) 51.144 8.057 ( -8.463 7.310 -7.589) 13.515 8.350 ( 27.517 -36.795 -12.999) 47.750 9.036 ( 5.376 -9.753 7.358) 13.347 9.745 ( -21.434 22.305 -4.928) 31.324 10.608 ( -13.846 9.244 -1.083) 16.683 11.058 ( -8.032 6.798 -2.966) 10.932 11.161 ( -2.076 2.177 -7.473) 8.056 11.641 ( 2.713 7.128 5.631) 9.480 12.422 ( 6.310 7.586 -4.914) 11.023 12.714 ( 3.570 7.962 10.961) 14.010 13.219 ( 15.430 17.797 15.394) 28.139 14.060 ( -9.980 6.065 11.772) 16.582 14.193 ( 5.234 -12.525 8.678) 16.112 14.927 ( 18.127 8.599 0.059) 20.063 15.335 ( 11.859 -11.340 -3.727) 16.826 15.672 ( 5.240 -7.321 -0.841) 9.043 16.151 ( -4.883 14.779 2.277) 15.730 16.407 ( -13.895 1.251 -2.394) 14.156 16.617 ( -17.770 12.306 -4.050) 21.991 17.429 ( -12.968 -3.780 -19.299) 23.556 18.241 ( -1.912 -11.801 -14.283) 18.626 19.139 ( 9.313 -4.717 -6.848) 12.485 19.794 ( -10.879 -9.279 -2.015) 14.440 19.969 ( -11.982 2.555 9.540) 15.528 21.849 ( 6.569 -1.195 5.808) 8.849 21.969 ( 2.018 2.942 -3.332) 4.881 22.609 ( 13.726 -8.823 -3.292) 16.646 25.242 ( -5.705 18.243 16.322) 25.135 ======================= Grid point 313 (119/231) ======================= q-point: (-0.23 -0.23 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.809 ( 0.000 -45.156 -24.423) 51.338 5.112 ( 0.000 -52.834 -20.978) 56.846 7.738 ( 0.000 -69.305 -18.414) 71.709 8.215 ( 0.000 9.087 -8.435) 12.399 8.994 ( -0.000 8.734 14.830) 17.211 10.094 ( 0.000 20.348 -7.551) 21.704 10.782 ( 0.000 18.739 -12.599) 22.580 11.187 ( 0.000 8.486 -0.399) 8.495 11.246 ( 0.000 1.742 -10.820) 10.960 11.932 ( -0.000 5.534 4.941) 7.419 12.362 ( -0.000 16.248 15.415) 22.397 12.365 ( -0.000 6.353 5.234) 8.231 12.914 ( -0.000 10.700 19.854) 22.554 14.117 ( -0.000 -14.871 16.382) 22.125 14.288 ( 0.000 -0.438 -4.601) 4.622 14.656 ( -0.000 15.496 7.446) 17.192 14.956 ( -0.000 -13.017 4.660) 13.826 15.602 ( 0.000 -7.040 -4.768) 8.503 16.226 ( 0.000 18.614 -3.947) 19.028 16.446 ( 0.000 15.489 -2.227) 15.648 17.152 ( 0.000 -1.474 -12.781) 12.866 17.816 ( 0.000 -5.088 -16.374) 17.146 18.340 ( 0.000 -13.260 -10.140) 16.692 18.726 ( 0.000 1.974 -11.886) 12.048 20.032 ( 0.000 -10.207 -11.570) 15.429 20.200 ( -0.000 -2.704 15.969) 16.196 21.690 ( -0.000 -4.096 9.753) 10.578 21.914 ( 0.000 7.643 -8.599) 11.505 22.408 ( -0.000 -9.577 4.235) 10.471 25.322 ( -0.000 18.677 16.912) 25.196 ======================= Grid point 314 (120/231) ======================= q-point: (-0.15 -0.23 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.237 ( 2.933 -48.194 -28.367) 55.999 4.565 ( 10.440 -53.851 -16.615) 57.315 7.120 ( 27.456 -81.509 -19.137) 88.112 8.230 ( -5.730 12.616 -5.476) 14.899 9.246 ( -1.552 22.353 17.814) 28.625 10.157 ( -9.181 18.590 -5.172) 21.369 10.813 ( -5.648 9.681 -8.955) 14.346 11.157 ( -6.167 2.214 -9.229) 11.318 11.259 ( -1.516 16.410 -10.930) 19.775 11.870 ( -12.489 6.170 11.397) 17.998 12.422 ( 0.176 8.468 1.744) 8.647 12.764 ( 9.682 7.101 18.056) 21.684 13.147 ( 12.740 6.625 2.486) 14.573 14.027 ( -0.847 -22.254 11.778) 25.193 14.266 ( 1.998 -1.934 2.205) 3.549 14.759 ( 3.547 -2.285 3.231) 5.314 15.003 ( 12.298 -7.212 -3.067) 14.583 15.614 ( 2.321 8.565 1.113) 8.943 16.378 ( -2.520 19.837 1.670) 20.066 16.559 ( -3.160 11.896 -4.124) 12.981 16.990 ( -13.918 8.129 -5.755) 17.115 17.518 ( -14.934 -4.591 -16.258) 22.548 18.095 ( -3.846 -13.261 -11.707) 18.102 18.844 ( 15.137 -2.678 -7.686) 17.186 19.810 ( -6.544 -11.032 -7.810) 15.018 20.211 ( -6.563 0.016 13.074) 14.629 21.781 ( 5.715 -0.031 8.868) 10.550 21.946 ( 1.643 4.882 -6.060) 7.954 22.373 ( 4.568 -9.318 0.145) 10.378 25.559 ( -2.500 15.743 15.242) 22.055 ======================= Grid point 327 (121/231) ======================= q-point: (-0.15 -0.15 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.592 ( 0.000 -51.329 -28.138) 58.536 3.830 ( 0.000 -58.306 -20.280) 61.732 5.943 ( -0.000 -93.510 -16.665) 94.983 8.388 ( 0.000 15.861 -3.516) 16.246 9.613 ( -0.000 27.078 21.737) 34.723 10.350 ( 0.000 14.104 -1.377) 14.171 10.891 ( 0.000 8.059 -9.464) 12.430 11.209 ( 0.000 10.331 -16.448) 19.423 11.337 ( 0.000 15.419 -13.537) 20.518 12.082 ( -0.000 5.332 3.798) 6.546 12.617 ( -0.000 5.686 16.360) 17.320 12.794 ( -0.000 9.572 14.756) 17.588 13.033 ( 0.000 -4.783 -3.975) 6.219 13.890 ( -0.000 -29.959 16.376) 34.142 14.085 ( 0.000 -11.153 -14.777) 18.513 14.606 ( 0.000 -18.975 -6.996) 20.224 14.981 ( -0.000 10.504 7.394) 12.845 15.754 ( -0.000 19.750 5.630) 20.537 16.613 ( -0.000 20.762 5.127) 21.386 16.669 ( 0.000 10.211 -5.963) 11.825 17.159 ( 0.000 13.714 -3.299) 14.105 17.518 ( 0.000 -4.507 -16.700) 17.298 17.956 ( 0.000 -14.263 -8.241) 16.473 18.639 ( 0.000 0.305 -6.439) 6.446 19.705 ( 0.000 -12.743 -7.315) 14.693 20.321 ( -0.000 -2.062 10.964) 11.156 21.796 ( -0.000 1.252 10.428) 10.503 21.940 ( 0.000 4.891 -6.619) 8.230 22.261 ( -0.000 -8.713 0.360) 8.720 25.798 ( -0.000 12.911 13.846) 18.931 ======================= Grid point 370 (122/231) ======================= q-point: ( 0.15 0.15 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( -0.000 0.000 59.184) 59.184 2.124 ( -0.000 0.000 59.184) 59.184 3.805 ( -0.000 0.000 104.345) 104.345 9.007 ( -0.000 0.000 0.787) 0.787 10.069 ( 0.000 -0.000 -33.314) 33.314 10.069 ( 0.000 -0.000 -33.314) 33.314 11.628 ( -0.000 0.000 1.989) 1.989 11.628 ( 0.000 0.000 1.989) 1.989 11.913 ( 0.000 -0.000 -16.350) 16.350 12.373 ( -0.000 0.000 0.225) 0.225 12.373 ( 0.000 0.000 0.225) 0.225 13.344 ( -0.000 0.000 22.196) 22.196 13.344 ( -0.000 0.000 22.196) 22.196 13.675 ( -0.000 0.000 22.687) 22.687 13.675 ( -0.000 0.000 22.687) 22.687 14.749 ( -0.000 0.000 4.433) 4.433 15.059 ( 0.000 -0.000 -22.184) 22.184 16.649 ( 0.000 -0.000 -8.438) 8.438 16.649 ( 0.000 0.000 -8.438) 8.438 16.784 ( 0.000 -0.000 -7.285) 7.285 16.784 ( 0.000 -0.000 -7.285) 7.285 17.446 ( 0.000 -0.000 -13.636) 13.636 18.726 ( -0.000 0.000 12.037) 12.037 18.726 ( -0.000 0.000 12.037) 12.037 18.928 ( -0.000 0.000 5.385) 5.385 19.953 ( 0.000 -0.000 -11.289) 11.289 21.855 ( 0.000 -0.000 -8.916) 8.916 21.855 ( 0.000 -0.000 -8.916) 8.916 22.512 ( -0.000 0.000 23.609) 23.609 25.422 ( 0.000 -0.000 -5.637) 5.637 ======================= Grid point 371 (123/231) ======================= q-point: ( 0.23 0.15 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( 18.403 10.625 51.458) 55.673 2.928 ( 29.626 17.105 53.998) 63.922 4.745 ( 31.604 18.246 92.312) 99.263 8.909 ( -9.348 -5.397 0.193) 10.796 9.766 ( -2.788 -1.610 -35.357) 35.503 9.948 ( 0.991 0.572 -29.091) 29.113 11.408 ( -10.600 -6.120 4.823) 13.155 11.754 ( -0.539 -0.311 -2.690) 2.761 11.982 ( 15.023 8.674 -12.711) 21.506 12.149 ( -7.749 -4.474 -1.605) 9.091 12.622 ( -6.337 -3.659 14.297) 16.061 12.805 ( -20.432 -11.796 4.554) 24.028 13.391 ( -22.901 -13.222 26.228) 37.245 13.809 ( 7.964 4.598 20.259) 22.248 14.073 ( 16.011 9.244 23.966) 30.268 14.897 ( 4.957 2.862 11.427) 12.780 14.903 ( -0.692 -0.399 -21.891) 21.906 16.470 ( -2.418 -1.396 -14.566) 14.831 16.486 ( -12.046 -6.955 -12.389) 18.627 16.749 ( 0.960 0.554 -5.717) 5.823 16.994 ( 12.347 7.128 -4.982) 15.102 17.351 ( -0.597 -0.345 -12.027) 12.046 18.423 ( -21.202 -12.241 14.282) 28.343 18.826 ( 1.170 0.676 12.607) 12.679 19.228 ( 12.674 7.317 8.265) 16.807 19.905 ( 1.387 0.801 -10.979) 11.095 21.769 ( 0.168 0.097 -11.226) 11.228 21.834 ( 1.799 1.039 -9.465) 9.691 22.636 ( -1.521 -0.878 24.085) 24.149 25.454 ( 4.395 2.537 -12.884) 13.847 ======================= Grid point 372 (124/231) ======================= q-point: ( 0.31 0.15 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.420 ( 30.381 17.541 39.770) 53.032 3.883 ( 29.392 16.969 51.513) 61.688 6.147 ( 51.278 29.605 70.557) 92.110 8.649 ( -13.001 -7.506 -0.844) 15.036 9.524 ( -2.942 -1.698 -29.602) 29.797 9.782 ( -1.594 -0.920 -24.713) 24.782 11.218 ( -10.422 -6.017 6.964) 13.903 11.719 ( -3.683 -2.126 -1.761) 4.603 11.893 ( -37.735 -21.786 19.424) 47.706 12.027 ( -1.831 -1.057 -4.780) 5.226 12.284 ( 12.395 7.156 -13.306) 19.542 12.934 ( 5.356 3.092 4.291) 7.528 13.163 ( -7.842 -4.527 15.840) 18.245 13.896 ( -5.695 -3.288 -3.927) 7.660 14.531 ( 11.803 6.815 27.325) 30.535 14.890 ( 9.265 5.349 -8.135) 13.440 14.974 ( -2.982 -1.722 6.403) 7.270 16.117 ( -14.398 -8.313 -15.173) 22.508 16.393 ( 2.289 1.322 -10.086) 10.427 16.581 ( -12.572 -7.259 -9.652) 17.433 17.207 ( 9.344 5.395 -0.698) 10.813 17.353 ( 4.788 2.764 -0.419) 5.545 18.091 ( -18.172 -10.492 17.948) 27.612 18.898 ( -1.213 -0.701 11.206) 11.294 19.511 ( 8.914 5.147 8.344) 13.251 19.852 ( -1.562 -0.902 -10.634) 10.786 21.758 ( 5.779 3.337 -11.855) 13.604 21.830 ( 3.204 1.850 -10.173) 10.824 22.743 ( -0.869 -0.502 22.486) 22.508 25.390 ( -2.111 -1.219 -18.018) 18.182 ======================= Grid point 373 (125/231) ======================= q-point: ( 0.38 0.15 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.333 ( 34.672 20.018 30.031) 50.048 4.794 ( 28.094 16.220 47.989) 57.925 7.674 ( 55.229 31.886 50.043) 81.064 8.398 ( -10.567 -6.101 3.552) 12.709 9.250 ( -7.979 -4.607 -24.503) 26.178 9.575 ( -6.183 -3.570 -19.574) 20.836 11.051 ( -8.650 -4.994 6.963) 12.176 11.057 ( -38.463 -22.207 10.273) 45.586 11.751 ( -4.715 -2.722 14.250) 15.255 12.007 ( 2.791 1.612 -6.855) 7.575 12.430 ( 8.208 4.739 -13.757) 16.706 12.996 ( -0.746 -0.431 7.157) 7.208 13.249 ( 9.533 5.504 -2.114) 11.209 13.584 ( -13.692 -7.905 -21.094) 26.362 14.898 ( -3.094 -1.786 -3.342) 4.892 14.908 ( 9.601 5.543 16.713) 20.056 15.098 ( 7.780 4.492 5.509) 10.538 15.681 ( -19.005 -10.972 -12.650) 25.330 16.177 ( -15.456 -8.924 -12.728) 21.920 16.419 ( 2.128 1.228 -1.961) 3.143 17.407 ( 9.128 5.270 2.103) 10.748 17.518 ( 6.698 3.867 10.846) 13.321 17.860 ( -13.894 -8.022 21.240) 26.618 18.919 ( -1.765 -1.019 9.083) 9.309 19.667 ( -10.288 -5.940 -10.669) 15.968 19.703 ( 4.150 2.396 8.595) 9.840 21.847 ( 3.773 2.179 -10.026) 10.932 21.878 ( 10.283 5.937 -8.844) 14.805 22.891 ( 4.382 2.530 17.909) 18.610 25.159 ( -8.480 -4.896 -20.356) 22.589 ======================= Grid point 374 (126/231) ======================= q-point: ( 0.46 0.15 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.243 ( 35.407 20.442 22.216) 46.530 5.657 ( 27.304 15.764 42.617) 53.012 8.204 ( -13.903 -8.027 9.938) 18.881 8.938 ( -5.844 -3.374 -19.860) 20.975 8.942 ( 35.011 20.214 22.962) 46.493 9.220 ( -20.622 -11.906 -10.973) 26.219 10.513 ( -10.387 -5.997 15.263) 19.411 10.937 ( -5.534 -3.195 5.825) 8.647 11.671 ( -11.725 -6.769 18.043) 22.558 12.048 ( 4.316 2.492 -7.061) 8.642 12.570 ( 13.136 7.584 -11.878) 19.266 12.968 ( -1.600 -0.923 -4.360) 4.735 13.139 ( -13.301 -7.679 -26.690) 30.794 13.509 ( 15.638 9.029 -5.458) 18.864 14.831 ( -26.094 -15.065 -14.642) 33.499 14.856 ( 2.051 1.184 -6.086) 6.530 15.219 ( -3.308 -1.910 14.454) 14.950 15.304 ( -1.707 -0.985 -15.623) 15.747 15.952 ( -0.875 -0.505 7.055) 7.127 16.419 ( -2.427 -1.401 1.917) 3.395 17.583 ( 1.196 0.691 8.143) 8.260 17.732 ( 4.462 2.576 17.983) 18.706 17.791 ( -0.405 -0.234 17.802) 17.808 18.957 ( 1.494 0.863 5.189) 5.468 19.292 ( -18.001 -10.393 -9.237) 22.745 19.792 ( -0.709 -0.409 10.083) 10.116 21.870 ( 3.725 2.151 -9.464) 10.396 22.036 ( 6.311 3.644 -2.590) 7.734 23.178 ( 14.979 8.648 10.279) 20.120 24.797 ( -13.399 -7.736 -21.559) 26.536 ======================= Grid point 375 (127/231) ======================= q-point: ( 0.54 0.15 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.108 ( 34.576 19.962 15.808) 42.941 6.464 ( 25.802 14.897 36.236) 46.912 7.791 ( -28.835 -16.648 5.412) 33.732 8.536 ( -37.597 -21.706 -1.636) 43.444 8.898 ( 9.204 5.314 -6.026) 12.218 9.221 ( -4.930 -2.846 -5.245) 7.740 10.875 ( -3.479 -2.009 4.939) 6.367 10.984 ( 30.632 17.686 21.076) 41.174 11.514 ( -8.606 -4.969 13.368) 16.657 12.077 ( 0.767 0.443 -5.431) 5.503 12.729 ( 2.884 1.665 -6.889) 7.652 12.746 ( -6.830 -3.943 -28.884) 29.941 13.077 ( 20.547 11.863 -8.194) 25.101 13.807 ( 15.048 8.688 -7.740) 19.022 13.930 ( -45.148 -26.066 -14.124) 54.012 14.895 ( 4.051 2.339 -5.627) 7.317 15.058 ( -7.796 -4.501 -13.431) 16.168 15.279 ( 3.236 1.869 -12.448) 12.997 16.131 ( 4.229 2.442 26.576) 27.021 16.350 ( -5.286 -3.052 5.225) 8.035 17.565 ( -7.348 -4.242 17.781) 19.702 17.880 ( -2.981 -1.721 21.092) 21.371 18.009 ( 10.527 6.078 5.869) 13.498 18.747 ( -17.057 -9.848 -21.539) 29.186 19.140 ( 4.027 2.325 16.183) 16.837 19.810 ( -3.342 -1.930 13.255) 13.806 21.892 ( 3.301 1.906 -9.074) 9.842 22.101 ( 0.284 0.164 1.375) 1.414 23.640 ( 23.225 13.409 3.924) 27.103 24.341 ( -16.892 -9.753 -21.632) 29.128 ======================= Grid point 376 (128/231) ======================= q-point: (-0.38 0.15 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.869 ( 16.280 9.399 11.510) 22.042 7.141 ( -19.675 -11.360 0.683) 22.729 7.168 ( 20.751 11.980 28.019) 36.867 7.668 ( -42.171 -24.348 2.500) 48.759 9.030 ( -6.116 -3.531 -5.009) 8.658 9.186 ( 16.707 9.646 3.684) 19.640 10.824 ( -4.721 -2.726 4.239) 6.905 11.255 ( -7.450 -4.301 9.854) 13.080 11.848 ( 23.585 13.617 5.505) 27.785 11.959 ( -11.037 -6.372 -2.773) 13.043 12.527 ( -1.730 -0.999 -26.505) 26.580 12.780 ( 11.885 6.862 -17.198) 22.002 12.842 ( -41.057 -23.704 -16.833) 50.309 13.629 ( 26.795 15.470 7.790) 31.906 14.067 ( 15.383 8.881 -8.992) 19.909 14.801 ( -8.434 -4.870 -13.267) 16.458 14.935 ( 2.854 1.648 -6.805) 7.561 15.279 ( 4.572 2.640 -13.785) 14.761 16.269 ( -6.140 -3.545 8.042) 10.721 16.366 ( 2.148 1.240 27.791) 27.902 17.508 ( -7.797 -4.502 18.373) 20.460 17.717 ( -21.993 -12.698 5.663) 26.019 18.243 ( 8.741 5.046 0.977) 10.140 18.379 ( -6.099 -3.521 -6.048) 9.283 19.378 ( 8.029 4.636 15.890) 18.397 19.842 ( -1.225 -0.708 17.158) 17.217 21.902 ( 2.587 1.494 -9.187) 9.660 22.079 ( -2.655 -1.533 1.250) 3.311 23.830 ( -18.846 -10.881 -20.139) 29.650 24.185 ( 25.618 14.790 0.183) 29.581 ======================= Grid point 377 (129/231) ======================= q-point: (-0.31 0.15 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.228 ( -41.800 -24.133 5.004) 48.525 6.744 ( -44.484 -25.683 4.280) 51.544 7.657 ( 10.271 5.930 17.491) 21.133 7.694 ( 31.928 18.433 1.455) 36.896 9.028 ( 8.408 4.855 3.376) 10.279 9.607 ( 17.911 10.341 8.426) 22.333 10.600 ( -25.212 -14.556 0.600) 29.118 11.149 ( -6.719 -3.879 8.417) 11.447 11.401 ( -33.493 -19.337 1.575) 38.707 12.068 ( -7.405 -4.276 -15.955) 18.102 12.204 ( 11.675 6.741 -5.220) 14.456 12.575 ( 7.015 4.050 -23.087) 24.466 13.041 ( 20.880 12.055 -25.292) 34.943 14.055 ( 8.066 4.657 7.777) 12.134 14.548 ( -8.930 -5.156 -8.553) 13.397 14.566 ( 32.717 18.889 0.832) 37.788 14.945 ( 2.940 1.697 -9.422) 10.015 15.324 ( 5.992 3.460 -10.741) 12.777 16.146 ( -10.384 -5.995 7.261) 14.017 16.537 ( -1.310 -0.756 23.816) 23.864 17.154 ( -24.094 -13.911 -9.716) 29.470 17.461 ( -6.340 -3.661 18.585) 19.976 18.311 ( -4.032 -2.328 8.873) 10.020 18.392 ( 5.164 2.981 0.326) 5.971 19.632 ( 6.230 3.597 15.490) 17.080 19.978 ( 3.959 2.286 17.840) 18.417 21.892 ( 1.694 0.978 -9.645) 9.842 22.013 ( -3.338 -1.927 -1.210) 4.040 23.311 ( -18.933 -10.931 -16.562) 27.427 24.719 ( 24.388 14.081 -2.618) 28.283 ======================= Grid point 378 (130/231) ======================= q-point: (-0.23 0.15 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.335 ( -44.679 -25.796 8.783) 52.333 5.794 ( -47.130 -27.211 7.581) 54.947 7.881 ( 6.101 3.522 8.322) 10.903 8.265 ( 15.835 9.142 -6.490) 19.402 9.406 ( 20.502 11.837 10.374) 25.847 9.503 ( -49.404 -28.523 3.189) 57.136 10.154 ( 15.859 9.156 5.619) 19.156 11.071 ( -4.900 -2.829 5.180) 7.672 11.075 ( -4.669 -2.695 8.355) 9.943 11.961 ( 1.470 0.849 -8.196) 8.370 12.396 ( 11.261 6.502 -8.530) 15.552 12.603 ( 7.418 4.283 -22.324) 23.911 13.235 ( 9.423 5.440 -24.644) 26.939 14.267 ( 9.169 5.294 6.527) 12.438 14.330 ( -8.227 -4.750 -1.425) 9.606 14.931 ( 5.710 3.297 -27.122) 27.912 15.247 ( 20.781 11.998 13.734) 27.648 15.340 ( -2.963 -1.711 -6.750) 7.568 15.951 ( -6.197 -3.578 4.588) 8.500 16.459 ( -11.380 -6.570 2.285) 13.337 16.853 ( -0.310 -0.179 5.241) 5.254 17.463 ( -4.110 -2.373 19.301) 19.876 18.257 ( -7.212 -4.164 12.336) 14.884 18.490 ( 3.403 1.965 2.842) 4.849 19.802 ( 1.106 0.638 13.667) 13.726 20.190 ( 6.302 3.638 12.420) 14.395 21.865 ( 1.097 0.633 -8.896) 8.986 21.930 ( -2.635 -1.521 -4.668) 5.572 22.842 ( -16.654 -9.615 -10.727) 22.020 25.188 ( 21.260 12.274 -5.450) 25.146 ======================= Grid point 379 (131/231) ======================= q-point: (-0.15 0.15 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.434 ( -45.661 -26.362 16.478) 55.240 4.813 ( -49.528 -28.595 12.472) 58.534 7.558 ( -70.018 -40.425 1.755) 80.869 8.094 ( 10.551 6.092 5.273) 13.275 9.220 ( 19.136 11.048 -10.459) 24.446 9.934 ( 21.246 12.266 9.939) 26.470 10.587 ( 16.442 9.493 9.243) 21.116 11.061 ( -0.845 -0.488 9.654) 9.703 11.093 ( 3.303 1.907 7.473) 8.390 11.996 ( 4.306 2.486 -2.899) 5.756 12.603 ( 12.438 7.181 -8.086) 16.482 12.617 ( 5.801 3.349 -21.046) 22.086 13.177 ( -2.486 -1.435 -14.761) 15.038 14.185 ( -6.906 -3.987 6.907) 10.550 14.383 ( -6.724 -3.882 -6.732) 10.276 14.858 ( 5.337 3.081 -18.632) 19.625 15.033 ( -20.315 -11.729 -3.557) 23.726 15.505 ( 5.489 3.169 5.415) 8.337 16.184 ( 21.331 12.315 0.146) 24.631 16.429 ( 7.840 4.526 1.423) 9.164 16.960 ( 4.980 2.875 6.926) 9.002 17.495 ( -3.846 -2.221 19.171) 19.678 18.141 ( -10.355 -5.978 12.124) 17.028 18.576 ( 2.260 1.305 5.161) 5.783 19.830 ( -5.257 -3.035 10.593) 12.210 20.342 ( 3.198 1.847 0.791) 3.777 21.851 ( -1.022 -0.590 -8.092) 8.178 21.857 ( 2.166 1.250 -2.910) 3.837 22.486 ( -12.216 -7.053 -4.433) 14.786 25.558 ( 16.951 9.787 -8.919) 21.510 ======================= Grid point 384 (132/231) ======================= q-point: ( 0.23 0.23 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.050 ( -0.000 30.474 50.504) 58.986 3.181 ( -0.000 29.542 53.812) 61.388 5.254 ( -0.000 24.815 93.854) 97.079 8.937 ( -0.000 -8.124 1.655) 8.291 9.432 ( 0.000 -14.181 -37.968) 40.530 9.873 ( 0.000 13.181 -29.943) 32.716 11.452 ( -0.000 -9.144 3.219) 9.694 11.721 ( 0.000 1.108 -17.147) 17.183 11.889 ( -0.000 12.391 2.419) 12.625 12.149 ( -0.000 -10.083 0.981) 10.131 12.705 ( 0.000 17.008 1.536) 17.077 13.063 ( -0.000 -31.495 19.384) 36.982 13.417 ( -0.000 -33.711 21.520) 39.995 13.736 ( -0.000 -13.003 16.520) 21.023 14.217 ( -0.000 16.530 23.879) 29.042 14.755 ( 0.000 -0.426 -24.653) 24.657 14.981 ( -0.000 7.778 14.733) 16.660 16.223 ( 0.000 -18.971 -12.935) 22.961 16.627 ( 0.000 6.018 -11.168) 12.686 16.770 ( 0.000 -2.323 -11.736) 11.963 16.920 ( 0.000 26.865 -8.430) 28.156 17.341 ( 0.000 10.975 -12.544) 16.667 18.463 ( -0.000 -29.026 13.313) 31.934 18.910 ( -0.000 1.820 16.944) 17.042 19.323 ( -0.000 18.391 9.826) 20.851 19.833 ( 0.000 -0.173 -10.222) 10.224 21.630 ( 0.000 -7.427 -12.646) 14.666 21.808 ( 0.000 4.759 -10.394) 11.432 22.771 ( -0.000 -3.693 24.782) 25.056 25.382 ( 0.000 2.785 -12.198) 12.511 ======================= Grid point 385 (133/231) ======================= q-point: ( 0.31 0.23 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.642 ( 5.042 34.727 44.337) 56.543 4.002 ( 20.078 29.394 50.467) 61.758 6.261 ( 26.006 32.532 79.664) 89.894 8.752 ( -10.567 -8.776 -3.441) 14.161 9.167 ( 7.946 -14.666 -29.709) 34.071 9.799 ( -4.756 15.146 -27.259) 31.545 11.326 ( -5.878 -8.198 2.223) 10.329 11.670 ( 2.547 1.524 -10.968) 11.362 11.987 ( -2.385 -4.773 2.665) 5.964 12.135 ( 5.585 4.857 1.557) 7.563 12.439 ( -36.594 -26.537 12.105) 46.796 12.898 ( 5.401 10.088 -1.436) 11.533 13.254 ( -3.620 -28.454 20.283) 35.130 13.799 ( 8.764 -15.218 2.807) 17.784 14.474 ( 4.936 -0.493 9.216) 10.466 14.726 ( 10.806 4.858 -6.631) 13.577 15.095 ( -3.351 1.877 13.803) 14.328 16.050 ( 8.520 -16.913 -10.904) 21.853 16.355 ( -19.260 6.411 -13.311) 24.274 16.732 ( -7.808 -1.597 -9.350) 12.285 17.162 ( 5.171 24.133 -6.482) 25.518 17.438 ( 1.387 20.326 -5.384) 21.073 18.203 ( -7.162 -28.062 16.901) 33.532 19.035 ( -1.302 3.676 15.677) 16.155 19.547 ( 1.234 11.301 9.041) 14.525 19.793 ( 1.973 0.453 -8.174) 8.421 21.531 ( 6.380 -6.602 -14.089) 16.816 21.801 ( 0.941 6.535 -11.053) 12.875 22.865 ( -0.554 -5.280 23.742) 24.328 25.302 ( -1.267 -1.847 -16.034) 16.189 ======================= Grid point 386 (134/231) ======================= q-point: ( 0.38 0.23 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.370 ( 15.463 33.302 36.106) 51.495 4.880 ( 20.739 24.347 49.149) 58.639 7.545 ( 39.758 35.941 58.652) 79.452 8.502 ( -7.758 -5.124 -3.116) 9.806 8.984 ( 4.276 -16.450 -21.033) 27.042 9.665 ( -9.999 13.344 -24.284) 29.458 11.157 ( -7.870 -9.200 4.469) 12.905 11.538 ( -33.977 -18.575 8.614) 39.670 11.739 ( 3.106 -8.594 -2.872) 9.579 11.938 ( -2.837 -3.970 4.837) 6.870 12.331 ( 5.047 5.047 -5.149) 8.801 12.979 ( 3.767 -4.707 -9.334) 11.112 13.105 ( 2.032 -16.463 13.102) 21.138 13.660 ( -10.263 -1.338 -12.586) 16.295 14.528 ( 12.024 -20.465 -0.202) 23.737 14.947 ( 9.068 4.856 -7.758) 12.884 15.197 ( 2.846 6.888 22.406) 23.613 15.911 ( -13.436 1.735 -15.868) 20.864 16.166 ( 5.940 -8.259 -0.524) 10.187 16.379 ( -22.674 -4.261 -9.573) 24.978 17.409 ( 3.928 16.107 0.497) 16.586 17.676 ( 1.423 25.097 2.525) 25.264 17.964 ( -5.033 -24.541 21.129) 32.773 19.088 ( -6.779 5.696 9.334) 12.866 19.622 ( 0.261 -5.550 -1.176) 5.679 19.815 ( -2.896 8.197 5.023) 10.040 21.561 ( 13.197 -3.833 -13.423) 19.210 21.843 ( 3.446 9.200 -10.524) 14.397 22.951 ( 1.468 -4.557 20.334) 20.890 25.104 ( -5.703 -6.413 -19.130) 20.967 ======================= Grid point 387 (135/231) ======================= q-point: ( 0.46 0.23 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.157 ( 21.579 29.628 28.337) 46.330 5.702 ( 20.821 20.167 45.721) 54.135 8.381 ( -5.833 -1.947 7.909) 10.019 8.690 ( 10.803 -3.171 -8.403) 14.049 8.815 ( 22.917 15.970 20.642) 34.732 9.420 ( -16.352 5.087 -18.161) 24.962 10.784 ( -23.954 -18.875 14.314) 33.689 11.069 ( -10.204 -3.302 5.468) 12.039 11.811 ( 11.797 -5.770 -4.784) 13.977 11.857 ( -6.976 -11.936 11.874) 18.224 12.404 ( 7.849 8.899 -13.622) 18.065 12.821 ( 1.429 -16.978 -20.373) 26.559 13.131 ( -0.015 -6.699 3.854) 7.729 13.427 ( -5.221 6.042 -10.826) 13.452 14.528 ( 12.988 -17.452 -4.347) 22.184 15.000 ( -1.900 7.528 -18.912) 20.444 15.441 ( -4.375 8.414 13.931) 16.853 15.518 ( -28.453 3.304 -7.697) 29.660 15.988 ( -6.038 -5.469 1.578) 8.298 16.235 ( 11.789 -14.948 2.868) 19.253 17.607 ( 2.501 11.282 6.979) 13.500 17.781 ( -0.558 -19.764 18.289) 26.933 18.001 ( -0.880 22.668 11.818) 25.579 19.042 ( -6.797 2.288 -2.301) 7.532 19.450 ( -12.666 -4.648 1.162) 13.542 19.885 ( -2.134 3.749 10.529) 11.379 21.680 ( 11.967 -1.517 -11.061) 16.366 21.963 ( 6.564 8.831 -6.352) 12.705 23.102 ( 8.592 0.163 13.501) 16.004 24.780 ( -10.148 -9.639 -21.037) 25.267 ======================= Grid point 388 (136/231) ======================= q-point: ( 0.54 0.23 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.938 ( 25.010 25.435 21.476) 41.637 6.464 ( 20.879 16.482 40.019) 48.053 8.116 ( -24.942 -15.477 6.990) 30.175 8.623 ( 8.125 -4.122 -9.106) 12.882 8.968 ( -24.120 -4.648 -10.338) 26.651 9.281 ( -4.636 0.975 1.957) 5.126 10.812 ( 18.173 9.370 22.487) 30.393 10.963 ( -2.929 -1.467 4.221) 5.343 11.643 ( -8.874 -15.606 10.442) 20.768 11.917 ( 11.282 -6.395 -5.781) 14.199 12.513 ( -0.430 -12.265 -24.704) 27.584 12.666 ( 13.719 11.035 -12.396) 21.532 12.959 ( -5.847 4.849 -8.179) 11.163 13.550 ( 15.667 -2.299 -2.067) 15.969 14.413 ( -31.053 -7.486 -11.736) 34.031 14.682 ( -3.965 -6.699 -9.533) 12.308 15.197 ( -7.065 12.097 -18.864) 23.497 15.369 ( -14.358 9.854 -1.281) 17.461 16.114 ( 13.175 -11.972 19.390) 26.323 16.296 ( 6.827 -10.005 10.612) 16.104 17.698 ( -2.064 -15.652 20.001) 25.481 17.795 ( 5.309 1.936 10.185) 11.647 18.257 ( -3.650 21.471 11.738) 24.740 18.788 ( -13.618 -7.767 -20.346) 25.685 19.315 ( -7.888 6.368 15.213) 18.282 19.926 ( -2.888 -0.491 12.345) 12.687 21.770 ( 6.772 1.765 -9.488) 11.790 22.089 ( 3.365 2.537 0.185) 4.218 23.418 ( 19.340 7.615 4.670) 21.304 24.360 ( -13.668 -11.604 -21.652) 28.112 ======================= Grid point 389 (137/231) ======================= q-point: ( 0.62 0.23 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.684 ( 26.623 21.441 15.452) 37.514 7.126 ( 17.008 8.383 30.893) 36.248 7.507 ( -31.611 -16.057 4.575) 35.749 8.121 ( -38.108 -20.326 -0.481) 43.193 9.013 ( 14.312 7.699 0.808) 16.272 9.086 ( -6.732 -3.013 -4.773) 8.785 10.860 ( -2.700 -8.348 4.732) 9.969 11.296 ( 1.689 -6.247 8.330) 10.548 11.637 ( 19.244 8.578 4.353) 21.514 11.939 ( 3.896 -9.251 -7.582) 12.580 12.291 ( 2.742 -4.208 -22.067) 22.632 12.669 ( -0.685 7.277 -18.225) 19.636 13.325 ( 14.352 12.511 -0.849) 19.059 13.463 ( -43.564 -2.420 -10.710) 44.926 13.770 ( 17.205 -5.027 -2.431) 18.088 14.639 ( 3.972 -7.524 -6.995) 11.014 15.114 ( -9.581 15.714 -12.135) 22.045 15.266 ( -5.234 10.767 -9.950) 15.567 16.230 ( 7.415 -15.123 10.234) 19.709 16.454 ( 6.269 -5.130 24.758) 26.050 17.627 ( -1.970 -16.842 17.328) 24.244 17.897 ( -7.044 -5.249 12.737) 15.473 18.173 ( -13.321 -4.757 -14.590) 20.321 18.578 ( -4.022 18.311 1.293) 18.792 19.440 ( 2.175 6.416 16.789) 18.104 19.948 ( -1.690 -2.546 14.501) 14.819 21.822 ( 2.947 3.825 -8.352) 9.647 22.114 ( -1.472 -1.431 2.479) 3.219 23.876 ( -3.769 -5.847 -15.150) 16.671 23.896 ( 13.433 5.513 -6.927) 16.088 ======================= Grid point 390 (138/231) ======================= q-point: (-0.31 0.23 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.691 ( -38.495 -23.180 6.370) 45.384 7.240 ( -33.470 -17.780 2.087) 37.956 7.414 ( 18.881 15.621 8.522) 25.945 7.677 ( 9.472 6.107 21.205) 24.014 8.949 ( 3.577 -2.344 0.333) 4.289 9.462 ( 19.809 13.158 6.775) 24.727 10.719 ( -6.866 -15.412 3.473) 17.226 11.198 ( -4.303 -9.313 6.305) 12.042 11.792 ( -1.842 -9.674 -7.437) 12.341 12.050 ( 11.308 8.572 -5.346) 15.163 12.144 ( -26.975 -4.591 -10.376) 29.264 12.393 ( -18.218 -5.852 -15.629) 24.706 12.781 ( 11.901 19.428 -28.300) 36.332 13.920 ( 14.919 -3.382 9.312) 17.908 14.098 ( 31.797 11.866 -14.401) 36.868 14.584 ( -0.965 1.608 -0.992) 2.121 15.037 ( -8.494 9.052 0.859) 12.443 15.288 ( 1.548 14.790 -14.111) 20.500 16.230 ( -0.848 -9.730 8.583) 13.002 16.628 ( 4.342 -7.783 23.819) 25.431 17.375 ( -27.849 -15.078 -11.037) 33.537 17.549 ( -2.939 -15.675 14.452) 21.522 18.134 ( 4.622 -3.734 5.995) 8.441 18.710 ( -6.813 20.221 5.622) 22.066 19.654 ( 5.978 2.270 16.497) 17.693 20.017 ( 2.938 -2.960 14.718) 15.298 21.835 ( 0.015 3.636 -7.189) 8.056 22.063 ( -3.922 -0.975 0.305) 4.053 23.393 ( -16.570 -11.487 -17.289) 26.560 24.410 ( 26.292 12.656 -5.292) 29.656 ======================= Grid point 391 (139/231) ======================= q-point: (-0.23 0.23 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.859 ( -42.487 -23.892 9.926) 49.745 6.379 ( -45.969 -20.112 6.030) 50.537 7.867 ( 4.615 -0.681 12.420) 13.267 8.026 ( 23.117 15.776 -1.413) 28.023 9.195 ( 20.681 3.426 8.704) 22.698 9.947 ( 12.024 13.004 10.951) 20.823 10.185 ( -37.733 -23.984 0.513) 44.713 11.086 ( -3.023 -8.397 4.950) 10.206 11.336 ( -26.512 -0.561 3.985) 26.816 11.791 ( 7.999 -8.748 -12.803) 17.448 12.168 ( 7.265 1.036 -10.002) 12.405 12.464 ( 9.720 12.617 -11.481) 19.634 13.005 ( 12.445 15.984 -29.553) 35.829 14.147 ( 12.954 -0.832 6.420) 14.481 14.325 ( 6.540 -3.880 -14.604) 16.465 14.697 ( 2.427 11.107 -17.346) 20.740 15.179 ( 9.977 8.268 20.910) 24.599 15.404 ( 3.064 17.639 -9.849) 20.434 16.094 ( -11.034 -6.401 4.943) 13.680 16.643 ( -16.772 -9.030 2.891) 19.266 16.830 ( -1.897 -12.839 3.751) 13.510 17.493 ( 2.461 -16.428 16.350) 23.308 18.195 ( 1.991 -6.360 11.093) 12.941 18.791 ( -9.747 19.022 6.126) 22.235 19.837 ( 4.356 -2.460 15.014) 15.825 20.144 ( 6.979 -4.050 9.096) 12.159 21.811 ( -1.148 1.671 -4.568) 4.998 21.985 ( -4.895 2.273 -4.184) 6.829 22.950 ( -15.566 -8.677 -11.711) 21.325 24.890 ( 24.063 11.304 -8.374) 27.874 ======================= Grid point 392 (140/231) ======================= q-point: (-0.15 0.23 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.018 ( -43.875 -23.444 17.373) 52.692 5.476 ( -49.493 -19.041 10.546) 54.068 8.004 ( 8.159 -0.246 7.667) 11.199 8.256 ( -26.003 -1.719 -0.439) 26.064 9.160 ( -26.673 -9.385 -1.011) 28.294 9.688 ( 25.791 3.807 9.803) 27.852 10.470 ( 17.882 11.936 9.258) 23.408 11.050 ( 3.963 -4.348 4.878) 7.642 11.147 ( -5.026 -2.497 6.952) 8.935 11.814 ( 11.367 -7.499 -10.015) 16.904 12.268 ( 9.339 1.649 -4.936) 10.691 12.662 ( 5.165 19.151 -15.419) 25.124 13.095 ( 3.991 7.504 -17.665) 19.603 14.249 ( -0.186 -4.608 -1.998) 5.026 14.382 ( 3.182 3.802 -9.426) 10.650 14.663 ( 3.809 6.123 -14.566) 16.253 15.270 ( -14.165 2.268 -2.191) 14.512 15.594 ( -4.894 4.751 8.016) 10.525 16.016 ( 10.314 6.553 2.662) 12.506 16.375 ( 0.294 1.260 -2.818) 3.101 16.877 ( 8.347 -12.717 11.418) 19.020 17.500 ( 4.209 -16.158 17.413) 24.125 18.198 ( -2.657 -8.073 13.079) 15.598 18.831 ( -10.565 16.794 6.929) 21.016 19.902 ( -1.142 -7.322 12.243) 14.311 20.235 ( 6.986 -6.219 -2.932) 9.802 21.800 ( 0.028 1.218 0.084) 1.221 21.908 ( -3.966 5.229 -6.930) 9.544 22.604 ( -13.284 -4.508 -5.411) 15.035 25.285 ( 20.196 8.872 -11.552) 24.901 ======================= Grid point 398 (141/231) ======================= q-point: ( 0.31 0.31 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.270 ( -0.000 38.805 42.350) 57.440 4.401 ( -0.000 35.998 47.341) 59.473 6.833 ( -0.000 34.965 75.734) 83.415 8.731 ( 0.000 -12.466 -35.840) 37.946 8.798 ( -0.000 -8.729 3.993) 9.598 9.833 ( 0.000 17.229 -26.519) 31.624 11.252 ( 0.000 -10.482 -7.822) 13.079 11.632 ( 0.000 0.764 -0.878) 1.164 12.011 ( 0.000 -2.739 -3.932) 4.792 12.119 ( -0.000 3.610 8.709) 9.428 12.638 ( -0.000 -31.600 10.414) 33.272 12.891 ( 0.000 -3.294 -7.206) 7.923 13.001 ( -0.000 -34.739 19.000) 39.596 13.563 ( -0.000 -8.685 1.859) 8.882 14.529 ( 0.000 2.103 -18.331) 18.451 14.587 ( -0.000 -0.436 12.218) 12.226 15.210 ( -0.000 -4.274 15.880) 16.445 15.745 ( 0.000 -15.913 -9.426) 18.495 16.501 ( 0.000 -5.205 -13.501) 14.470 16.770 ( 0.000 16.939 -1.904) 17.046 17.431 ( 0.000 35.146 -5.266) 35.538 17.548 ( 0.000 21.146 -7.972) 22.599 18.071 ( -0.000 -29.682 14.720) 33.132 19.171 ( -0.000 2.020 19.429) 19.533 19.680 ( 0.000 -3.787 -9.313) 10.053 19.770 ( -0.000 16.014 10.920) 19.383 21.325 ( 0.000 -6.001 -14.948) 16.108 21.782 ( 0.000 6.358 -11.978) 13.561 22.944 ( -0.000 -8.691 23.709) 25.252 25.188 ( 0.000 -5.277 -16.679) 17.494 ======================= Grid point 399 (142/231) ======================= q-point: ( 0.38 0.31 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.829 ( -0.654 38.743 37.765) 54.107 5.147 ( 13.129 31.031 46.142) 57.135 7.748 ( 20.156 36.537 57.552) 71.088 8.433 ( 0.552 -6.838 -25.027) 25.950 8.754 ( -0.376 -8.845 2.607) 9.229 9.787 ( -6.157 15.415 -25.786) 30.667 11.111 ( 1.069 -11.007 -6.991) 13.084 11.610 ( -2.010 -5.092 3.464) 6.479 11.929 ( -14.498 -6.223 0.669) 15.791 12.022 ( -18.539 -21.545 10.492) 30.298 12.274 ( 2.015 -0.149 2.388) 3.128 12.687 ( 2.526 -25.996 -15.927) 30.591 12.955 ( 8.748 -22.656 12.276) 27.213 13.658 ( 7.340 6.023 -1.830) 9.670 14.290 ( -8.459 -11.997 -10.188) 17.869 14.762 ( 12.479 0.088 -3.015) 12.838 15.260 ( 3.980 -3.699 13.496) 14.549 15.672 ( 11.167 -13.801 -4.541) 18.325 16.287 ( -12.835 3.000 -10.725) 16.993 16.779 ( -20.338 12.285 1.374) 23.800 17.591 ( -4.006 24.994 -3.196) 25.514 17.759 ( 1.765 -12.974 10.950) 17.069 17.987 ( 4.012 13.871 4.640) 15.167 19.267 ( -3.595 1.283 8.721) 9.519 19.574 ( -1.139 -5.036 0.776) 5.221 19.984 ( -0.063 12.586 8.838) 15.379 21.267 ( 8.140 -1.407 -14.051) 16.299 21.797 ( 3.323 7.632 -12.244) 14.806 22.993 ( 0.525 -9.956 21.802) 23.974 24.992 ( -3.144 -9.402 -18.560) 21.042 ======================= Grid point 400 (143/231) ======================= q-point: ( 0.46 0.31 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.427 ( 6.068 35.715 31.435) 47.963 5.890 ( 14.177 22.855 45.058) 52.474 8.268 ( 9.342 -1.162 -23.641) 25.446 8.636 ( -7.884 -6.044 9.412) 13.685 8.814 ( 24.300 29.269 36.721) 52.873 9.599 ( -13.007 8.452 -23.590) 28.233 10.970 ( -6.418 -14.408 5.372) 16.662 11.270 ( -23.784 -20.093 4.238) 31.423 11.562 ( 1.442 -8.437 2.474) 8.910 11.928 ( -5.926 -10.344 3.321) 12.375 12.273 ( 5.673 -2.002 -8.929) 10.766 12.459 ( 6.264 -16.086 -17.689) 24.716 12.993 ( 10.089 -13.947 10.385) 20.103 13.629 ( -18.406 5.785 -11.588) 22.506 14.124 ( 14.693 -13.418 -4.440) 20.387 14.915 ( 8.527 6.219 -14.202) 17.694 15.457 ( 13.224 -5.983 15.343) 21.120 15.713 ( 7.704 -10.204 -2.475) 13.023 16.060 ( -12.648 5.012 -6.796) 15.208 16.391 ( -35.936 6.952 1.801) 36.647 17.605 ( 2.168 -26.545 17.123) 31.663 17.806 ( -0.610 16.018 7.462) 17.681 18.300 ( 1.430 28.790 2.890) 28.970 19.127 ( -9.133 -4.688 -10.048) 14.365 19.588 ( -1.787 -0.699 12.923) 13.065 20.074 ( -6.621 7.695 8.539) 13.265 21.394 ( 14.288 3.524 -10.209) 17.910 21.893 ( 6.865 9.016 -9.843) 15.010 23.055 ( 4.204 -7.786 16.986) 19.153 24.694 ( -6.891 -12.472 -20.246) 24.757 ======================= Grid point 401 (144/231) ======================= q-point: ( 0.54 0.31 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.047 ( 11.466 30.681 25.145) 41.292 6.558 ( 15.335 14.945 40.434) 45.754 8.237 ( -0.252 -9.542 -16.473) 19.039 8.526 ( -4.556 3.531 13.827) 14.980 9.212 ( -19.297 0.187 -19.923) 27.737 9.395 ( -2.970 2.814 8.133) 9.104 10.830 ( 2.863 1.723 22.486) 22.733 10.973 ( -3.626 -11.699 -2.933) 12.594 11.575 ( 10.248 -12.045 1.092) 15.852 11.640 ( -4.800 -20.413 -7.219) 22.178 12.291 ( -0.772 -10.619 -11.115) 15.392 12.461 ( 15.427 13.168 -11.468) 23.300 13.090 ( -1.242 -3.613 5.259) 6.500 13.302 ( -1.105 -6.174 -9.692) 11.545 14.291 ( 13.320 -2.387 -3.617) 14.007 14.944 ( -7.437 13.581 -21.801) 26.740 15.471 ( -24.205 0.478 -7.106) 25.231 15.704 ( 1.803 -3.998 15.870) 16.465 15.846 ( -9.891 0.092 -5.140) 11.148 16.128 ( 7.365 -10.040 12.319) 17.516 17.516 ( 5.344 -27.716 17.909) 33.429 17.983 ( -2.656 14.457 11.963) 18.952 18.562 ( -2.131 20.577 5.194) 21.329 18.815 ( -11.827 -5.333 -17.753) 21.989 19.604 ( -7.784 4.693 13.447) 16.231 20.052 ( -6.051 0.688 8.497) 10.454 21.616 ( 11.144 7.220 -5.074) 14.215 22.040 ( 6.281 5.859 -3.721) 9.361 23.222 ( 13.356 -0.736 8.233) 15.707 24.308 ( -10.217 -14.047 -20.943) 27.209 ======================= Grid point 402 (145/231) ======================= q-point: ( 0.62 0.31 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.658 ( 15.812 25.157 18.734) 35.126 7.117 ( 14.439 4.539 30.651) 34.184 7.859 ( -23.778 -11.909 3.358) 26.805 8.497 ( -27.006 -9.625 -2.907) 28.817 8.882 ( 8.043 5.763 1.026) 9.948 9.171 ( -13.311 -7.419 -5.988) 16.373 10.786 ( -0.957 -16.646 -2.179) 16.815 11.243 ( 14.473 7.807 12.691) 20.772 11.391 ( 3.960 -11.791 -17.998) 21.878 11.668 ( 11.877 -7.905 3.124) 14.605 12.151 ( 0.032 -1.956 -9.939) 10.130 12.636 ( 0.542 2.083 -17.231) 17.365 13.153 ( 14.456 19.694 0.181) 24.431 13.417 ( 16.909 -9.187 2.251) 19.375 14.261 ( -38.066 2.708 -7.540) 38.900 14.549 ( -10.794 2.674 -4.850) 12.132 15.245 ( -2.605 14.023 -15.728) 21.232 15.573 ( -19.293 12.424 -1.770) 23.015 15.906 ( 16.995 -20.676 10.524) 28.759 16.325 ( 15.024 -12.219 16.394) 25.373 17.457 ( 5.443 -25.668 15.110) 30.278 18.125 ( -4.447 10.534 15.764) 19.474 18.296 ( -20.846 -10.931 -18.626) 30.016 18.816 ( -1.262 20.547 1.538) 20.643 19.618 ( -5.351 5.285 13.710) 15.637 20.012 ( -2.365 -4.846 8.539) 10.099 21.799 ( 3.899 9.533 -1.396) 10.394 22.125 ( 1.044 0.526 1.636) 2.011 23.575 ( 23.124 6.890 -0.902) 24.145 23.870 ( -12.431 -13.757 -19.841) 27.156 ======================= Grid point 403 (146/231) ======================= q-point: (-0.31 0.31 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.079 ( -27.726 -19.621 6.248) 34.536 7.228 ( 16.921 18.127 9.159) 26.435 7.685 ( -5.163 -2.780 19.699) 20.554 7.820 ( -27.082 -8.268 6.279) 29.003 8.891 ( -4.138 -8.431 -3.115) 9.895 9.284 ( 20.847 11.695 4.774) 24.375 10.623 ( 0.307 -15.817 -1.025) 15.853 11.190 ( -1.860 -8.958 -8.484) 12.477 11.478 ( 10.038 -11.800 -2.594) 15.708 11.918 ( 13.213 10.625 -1.278) 17.003 12.142 ( 4.497 2.406 -7.735) 9.265 12.583 ( 6.463 10.018 -24.709) 27.434 13.211 ( -59.606 -0.393 -7.637) 60.095 13.661 ( 19.131 -3.156 10.266) 21.939 13.722 ( 14.238 13.257 -10.295) 22.011 14.610 ( 4.560 6.590 6.954) 10.610 15.301 ( -1.879 19.039 -11.893) 22.527 15.373 ( -13.293 8.723 -5.431) 16.801 16.050 ( 14.242 -17.428 11.468) 25.260 16.513 ( 11.234 -14.533 14.476) 23.388 17.384 ( 3.044 -22.967 13.461) 26.794 17.677 ( -27.994 -9.888 -19.593) 35.571 18.229 ( -4.335 6.715 15.480) 17.422 18.979 ( -1.978 16.626 2.566) 16.939 19.690 ( 0.977 0.218 12.583) 12.623 20.000 ( 1.751 -7.262 8.669) 11.444 21.893 ( -2.261 7.457 1.369) 7.912 22.119 ( -2.880 1.081 0.704) 3.155 23.429 ( -13.508 -11.265 -16.177) 23.897 24.050 ( 26.985 10.070 -6.462) 29.518 ======================= Grid point 404 (147/231) ======================= q-point: (-0.23 0.31 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.374 ( -38.986 -19.645 9.523) 44.682 6.938 ( -39.908 -14.141 0.999) 42.351 7.819 ( 19.130 11.857 3.631) 22.798 7.897 ( 0.909 -0.889 16.842) 16.890 8.925 ( 16.104 -5.236 4.932) 17.638 9.782 ( 23.627 10.717 4.037) 26.257 10.430 ( -11.229 -14.540 3.219) 18.651 11.039 ( -0.001 -9.432 -7.783) 12.229 11.483 ( 4.840 -8.500 -1.446) 9.887 11.989 ( -23.267 0.517 -12.522) 26.427 12.214 ( -31.083 6.000 10.423) 33.328 12.348 ( 9.672 10.180 -4.245) 14.670 12.754 ( 15.103 16.557 -32.256) 39.277 13.935 ( 14.178 3.166 -3.828) 15.023 13.993 ( 15.806 -1.637 -7.792) 17.698 14.836 ( -2.047 14.987 3.082) 15.437 15.275 ( -0.445 6.495 11.597) 13.299 15.443 ( 3.918 18.573 -12.554) 22.757 16.140 ( 4.004 -9.967 7.588) 13.151 16.564 ( 8.156 -22.542 9.673) 25.850 16.988 ( -29.786 -7.685 -16.533) 34.923 17.347 ( 4.165 -18.358 15.062) 24.109 18.294 ( -4.768 2.633 16.298) 17.184 19.086 ( -3.894 13.477 2.640) 14.275 19.790 ( 5.631 -5.646 10.631) 13.289 20.023 ( 4.505 -9.351 5.394) 11.698 21.890 ( -4.979 2.809 3.495) 6.700 22.070 ( -5.185 4.360 -4.160) 7.950 23.054 ( -13.628 -5.055 -9.419) 17.321 24.527 ( 26.240 9.548 -10.133) 29.705 ======================= Grid point 405 (148/231) ======================= q-point: (-0.15 0.31 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.620 ( -41.779 -17.668 16.678) 48.330 6.145 ( -45.237 -11.925 5.726) 47.132 7.928 ( 4.638 -5.775 8.512) 11.283 8.281 ( 16.276 12.983 0.049) 20.820 9.288 ( 27.823 -5.124 6.806) 29.098 9.819 ( -46.118 -14.818 3.623) 48.576 10.298 ( 19.395 7.156 6.263) 21.601 10.947 ( 3.429 -6.352 -2.683) 7.701 11.310 ( -16.418 -3.306 -3.536) 17.116 11.579 ( -0.920 0.254 0.818) 1.257 12.241 ( 2.321 8.067 7.446) 11.220 12.595 ( 10.059 10.577 -12.285) 19.079 12.972 ( 12.039 18.369 -22.670) 31.565 14.021 ( 10.593 -2.929 -18.870) 21.837 14.266 ( 10.480 3.938 0.895) 11.231 14.796 ( -9.706 14.042 -2.927) 17.319 15.460 ( -2.729 4.110 8.111) 9.494 15.691 ( 10.119 15.185 -1.379) 18.300 16.045 ( -8.917 -2.188 0.402) 9.190 16.454 ( -14.112 -3.101 -6.961) 16.038 16.544 ( 13.225 -28.364 5.571) 31.787 17.375 ( 4.835 -14.818 19.208) 24.737 18.310 ( -5.877 -1.943 16.090) 17.239 19.141 ( -5.745 10.792 4.120) 12.902 19.870 ( 4.052 -9.728 10.394) 14.802 20.002 ( 5.562 -12.379 -5.695) 14.718 21.865 ( -3.145 2.086 5.022) 6.282 21.987 ( -5.186 4.544 -7.484) 10.176 22.788 ( -14.137 2.691 -2.118) 14.545 24.937 ( 23.162 7.290 -13.274) 27.673 ======================= Grid point 412 (149/231) ======================= q-point: ( 0.38 0.38 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.423 ( -0.000 32.751 37.412) 49.722 5.603 ( -0.000 35.900 41.621) 54.965 8.080 ( 0.000 8.552 -16.145) 18.270 8.358 ( -0.000 23.416 36.587) 43.439 8.759 ( -0.000 -3.010 9.451) 9.919 9.822 ( 0.000 13.570 -26.753) 29.998 10.929 ( 0.000 -11.674 -9.017) 14.750 11.623 ( -0.000 -9.914 9.531) 13.752 11.993 ( 0.000 10.613 -9.897) 14.512 12.045 ( -0.000 -33.180 12.218) 35.358 12.265 ( 0.000 -22.715 -16.974) 28.356 12.349 ( -0.000 -13.683 1.314) 13.746 12.606 ( -0.000 -29.588 16.992) 34.120 13.643 ( 0.000 9.432 -2.466) 9.749 14.312 ( 0.000 -1.319 -19.265) 19.310 14.554 ( -0.000 -10.003 3.114) 10.476 15.187 ( -0.000 -13.802 8.546) 16.234 15.457 ( 0.000 -4.105 -7.537) 8.582 16.377 ( 0.000 3.461 -3.585) 4.983 17.123 ( -0.000 12.516 9.875) 15.943 17.648 ( -0.000 -23.465 15.017) 27.859 17.871 ( 0.000 21.661 -6.335) 22.568 18.105 ( 0.000 30.308 -3.826) 30.548 19.303 ( 0.000 -4.692 -4.155) 6.267 19.594 ( -0.000 -1.755 14.742) 14.846 20.134 ( -0.000 10.647 5.861) 12.154 21.157 ( 0.000 7.127 -9.484) 11.864 21.752 ( 0.000 6.737 -14.037) 15.570 23.009 ( -0.000 -13.011 21.843) 25.425 24.804 ( 0.000 -12.952 -18.899) 22.911 ======================= Grid point 413 (150/231) ======================= q-point: ( 0.46 0.38 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.905 ( -0.126 29.899 32.325) 44.032 6.211 ( 5.543 27.670 40.470) 49.337 7.986 ( 5.677 2.606 -27.487) 28.188 8.781 ( -4.155 0.214 13.155) 13.798 9.003 ( 12.570 30.546 31.898) 45.919 9.701 ( -8.080 7.661 -26.481) 28.727 10.828 ( 4.943 -10.613 -2.251) 11.922 11.429 ( -16.141 -23.658 7.903) 29.710 11.648 ( -16.196 -18.416 6.716) 25.427 11.769 ( -1.824 -34.267 -17.433) 38.490 12.101 ( 6.489 10.600 -9.862) 15.866 12.291 ( -0.951 -6.421 8.785) 10.923 12.689 ( 16.089 -16.866 11.292) 25.900 13.784 ( 12.118 -3.172 -6.461) 14.095 13.940 ( -22.176 0.994 -10.974) 24.763 14.657 ( 15.119 -5.676 -5.376) 17.021 15.217 ( 14.695 -13.420 4.760) 20.462 15.441 ( 5.697 -2.239 -7.035) 9.325 16.328 ( -10.708 7.723 0.190) 13.204 17.071 ( -27.057 10.865 7.003) 29.986 17.440 ( -4.850 -27.393 16.717) 32.456 18.024 ( -0.305 20.800 1.274) 20.841 18.458 ( 9.515 23.697 -4.471) 25.924 19.134 ( -6.712 -6.488 -13.595) 16.491 19.684 ( -0.940 -1.295 19.799) 19.864 20.255 ( -0.327 8.048 2.620) 8.470 21.261 ( 4.873 14.239 -3.763) 15.513 21.791 ( 6.950 7.985 -12.984) 16.752 23.019 ( 1.642 -13.107 19.597) 23.634 24.529 ( -3.437 -15.555 -19.475) 25.160 ======================= Grid point 414 (151/231) ======================= q-point: ( 0.54 0.38 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.369 ( 4.055 25.874 25.847) 36.796 6.739 ( 6.331 15.766 36.361) 40.135 8.013 ( 8.444 5.990 -19.025) 21.659 8.779 ( -8.404 1.854 17.624) 19.613 9.369 ( -14.101 3.880 -23.398) 27.593 9.502 ( 0.140 7.290 2.629) 7.751 10.826 ( 1.212 -15.804 -1.425) 15.915 10.981 ( -10.203 -10.884 14.185) 20.586 11.251 ( 2.088 -24.560 -12.026) 27.426 11.536 ( -1.679 -11.592 2.654) 12.010 12.224 ( -0.491 -7.547 0.475) 7.578 12.307 ( 8.194 12.343 -5.261) 15.722 12.883 ( 15.054 -8.138 8.375) 19.053 13.424 ( -17.857 -8.438 -8.574) 21.531 14.063 ( 13.383 7.266 -3.693) 15.670 14.817 ( 15.340 -3.116 -9.766) 18.450 15.376 ( 11.418 -5.835 -3.669) 13.337 15.519 ( 14.269 -10.371 1.445) 17.699 16.192 ( -16.167 9.561 0.701) 18.796 16.565 ( -45.265 8.218 2.318) 46.063 17.290 ( 3.730 -29.007 21.158) 36.096 18.218 ( -1.143 16.132 6.924) 17.593 18.693 ( 0.223 1.761 -4.032) 4.406 18.888 ( -6.170 9.170 -15.668) 19.173 19.760 ( -1.005 -1.115 14.565) 14.642 20.247 ( -9.506 3.890 2.365) 10.540 21.526 ( 10.512 15.799 0.894) 18.997 21.953 ( 9.064 9.405 -7.520) 15.073 23.076 ( 7.139 -8.941 13.555) 17.738 24.182 ( -6.618 -16.329 -19.388) 26.198 ======================= Grid point 415 (152/231) ======================= q-point: ( 0.62 0.38 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.817 ( 8.438 19.584 19.315) 28.772 7.129 ( 6.994 4.718 25.530) 26.888 8.045 ( -4.899 1.408 -2.360) 5.617 8.781 ( -9.096 3.890 9.106) 13.446 8.920 ( -16.745 -6.254 -11.768) 21.401 9.304 ( -16.960 -8.999 -6.401) 20.239 10.582 ( 0.330 -18.990 -6.707) 20.143 10.919 ( 11.451 -12.124 -19.314) 25.518 11.338 ( 4.223 6.171 13.939) 15.818 11.497 ( 7.718 -5.281 8.937) 12.936 12.123 ( -3.230 -3.716 -1.637) 5.189 12.478 ( 6.531 2.533 -16.676) 18.087 13.081 ( 14.348 -8.709 4.001) 17.255 13.248 ( -0.442 14.887 3.682) 15.342 14.309 ( 10.566 5.133 0.060) 11.747 14.945 ( 2.751 7.240 -16.246) 17.998 15.349 ( -10.464 -8.055 1.904) 13.341 15.596 ( 1.980 -5.976 -4.076) 7.500 16.039 ( -24.710 9.225 5.320) 26.907 16.045 ( 1.311 -8.741 5.060) 10.184 17.232 ( 5.020 -25.248 19.396) 32.231 18.296 ( -7.881 0.504 -10.391) 13.051 18.463 ( -10.149 0.697 5.708) 11.665 18.984 ( 1.258 16.766 -6.278) 17.947 19.801 ( -2.566 -0.218 10.938) 11.237 20.093 ( -10.482 -1.918 1.742) 10.798 21.833 ( 7.270 11.393 5.999) 14.786 22.120 ( 3.819 8.333 -1.423) 9.276 23.278 ( 17.661 -0.473 3.377) 17.987 23.799 ( -8.978 -14.385 -17.396) 24.293 ======================= Grid point 416 (153/231) ======================= q-point: ( 0.69 0.38 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.195 ( 7.415 -1.243 12.846) 14.884 7.287 ( -3.486 6.748 5.485) 9.368 7.887 ( -11.484 -5.354 18.414) 22.352 8.249 ( -31.813 -9.397 -3.478) 33.354 8.912 ( -13.244 -10.390 -4.964) 17.549 9.075 ( 17.141 6.200 1.463) 18.286 10.451 ( 3.182 -9.699 -2.711) 10.561 10.884 ( 10.333 -8.761 -22.909) 26.615 11.418 ( 0.005 -4.514 16.963) 17.553 11.811 ( 13.723 11.525 4.811) 18.555 12.066 ( 1.178 1.349 -6.420) 6.665 12.406 ( 3.761 0.293 -23.113) 23.419 13.342 ( 17.544 -4.049 9.557) 20.384 13.518 ( 8.406 19.502 -6.902) 22.330 14.310 ( -43.665 6.729 -0.650) 44.185 14.656 ( -3.813 5.818 5.104) 8.628 15.286 ( 8.729 2.082 -6.718) 11.210 15.592 ( 5.373 -6.777 -4.226) 9.625 15.830 ( -12.048 4.239 5.290) 13.824 16.183 ( 17.642 -15.412 6.040) 24.192 17.204 ( 4.645 -21.189 17.960) 28.162 17.865 ( -20.656 -7.215 -23.246) 31.923 18.501 ( -6.887 7.476 17.759) 20.462 19.104 ( 1.707 11.019 -4.966) 12.206 19.791 ( -5.484 -1.014 8.280) 9.983 19.951 ( -1.873 -7.500 2.621) 8.163 21.997 ( 0.316 0.418 9.477) 9.492 22.210 ( -2.597 10.471 -1.756) 10.931 23.442 ( -9.892 -7.706 -11.290) 16.873 23.662 ( 25.291 5.592 -5.484) 26.476 ======================= Grid point 417 (154/231) ======================= q-point: (-0.23 0.38 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.843 ( -31.061 -13.210 7.719) 34.625 7.370 ( -19.550 -1.542 -6.205) 20.569 7.679 ( -0.963 -8.843 7.416) 11.581 8.021 ( 0.876 1.233 18.622) 18.684 8.697 ( 1.674 -9.020 1.136) 9.244 9.455 ( 24.057 3.021 -4.255) 24.616 10.431 ( 0.177 -3.952 3.454) 5.252 10.820 ( 5.772 -5.901 -17.161) 19.043 11.481 ( -2.140 -1.215 16.336) 16.520 12.048 ( 1.294 7.568 -4.300) 8.800 12.174 ( 13.075 4.053 -2.392) 13.896 12.459 ( 15.155 13.665 -28.486) 35.041 13.236 ( -56.326 5.622 4.193) 56.761 13.727 ( 14.387 0.936 2.504) 14.633 13.810 ( 0.134 10.247 -6.110) 11.931 14.928 ( 13.587 5.858 13.330) 19.915 15.342 ( -1.295 0.026 -9.129) 9.221 15.567 ( -3.927 14.470 -3.980) 15.512 15.855 ( 13.320 -14.034 7.945) 20.917 16.285 ( 8.486 -15.088 0.604) 17.321 17.212 ( 4.087 -16.046 18.889) 25.119 17.289 ( -25.563 -4.553 -21.896) 33.966 18.542 ( -8.193 3.974 18.561) 20.674 19.183 ( 2.103 5.580 -4.939) 7.743 19.733 ( -1.221 -5.632 5.388) 7.889 19.906 ( 2.117 -9.772 3.474) 10.585 22.000 ( -3.452 -3.735 9.444) 10.727 22.186 ( -6.514 5.695 -7.391) 11.379 23.212 ( -11.521 4.298 -1.650) 12.407 24.107 ( 27.389 6.637 -10.465) 30.062 ======================= Grid point 418 (155/231) ======================= q-point: (-0.15 0.38 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.223 ( -37.955 -10.777 14.157) 41.918 6.772 ( -39.245 -4.229 0.624) 39.477 7.752 ( 11.856 -12.514 1.597) 17.312 8.222 ( 7.392 6.231 12.016) 15.423 8.819 ( 20.506 -9.163 2.408) 22.589 9.799 ( 21.730 -5.369 -9.153) 24.183 10.375 ( -9.715 -1.997 10.490) 14.437 10.791 ( 5.822 -2.207 -8.995) 10.940 11.477 ( -9.216 4.352 1.917) 10.371 11.973 ( -23.383 6.369 1.191) 24.264 12.361 ( 9.190 2.735 -8.674) 12.929 12.561 ( -20.869 9.090 14.749) 27.123 12.776 ( 16.144 21.788 -21.003) 34.300 13.795 ( 3.524 4.799 -17.151) 18.155 14.118 ( 16.249 5.447 7.493) 18.704 15.100 ( -11.577 11.998 0.198) 16.674 15.363 ( 19.724 -16.264 6.491) 26.376 15.697 ( 1.874 19.083 -4.503) 19.696 15.995 ( 15.591 -17.488 4.185) 23.799 16.173 ( -5.476 -10.037 -4.018) 12.119 16.723 ( -24.119 0.274 -15.369) 28.601 17.289 ( 5.593 -13.350 21.962) 26.303 18.525 ( -9.386 -0.562 17.555) 19.915 19.224 ( 2.890 0.885 -3.796) 4.852 19.724 ( 4.294 -7.757 2.024) 9.094 19.834 ( 0.114 -13.766 1.560) 13.854 21.963 ( -3.535 -1.624 7.598) 8.536 22.056 ( -5.649 1.396 -9.490) 11.132 23.103 ( -14.718 13.236 5.068) 20.433 24.519 ( 25.576 4.799 -14.064) 29.580 ======================= Grid point 426 (156/231) ======================= q-point: ( 0.46 0.46 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.295 ( -0.000 15.692 30.047) 33.898 6.687 ( -0.000 30.749 34.947) 46.549 7.844 ( 0.000 9.920 -23.490) 25.498 8.917 ( -0.000 4.037 13.813) 14.391 9.313 ( -0.000 25.500 12.823) 28.542 9.669 ( 0.000 4.652 -27.016) 27.414 10.708 ( -0.000 -6.736 7.464) 10.054 11.252 ( 0.000 -39.183 -19.737) 43.873 11.492 ( -0.000 -14.263 9.225) 16.986 11.606 ( -0.000 -28.931 2.488) 29.038 12.057 ( 0.000 1.259 -8.974) 9.062 12.426 ( -0.000 -6.196 18.522) 19.531 12.444 ( -0.000 3.137 12.919) 13.295 13.572 ( 0.000 -9.262 -13.888) 16.693 14.169 ( 0.000 7.949 -11.238) 13.765 14.369 ( -0.000 -10.995 0.238) 10.997 14.904 ( -0.000 -23.121 3.206) 23.342 15.394 ( 0.000 9.445 -13.157) 16.196 16.500 ( -0.000 7.167 4.109) 8.262 17.195 ( -0.000 -26.912 24.331) 36.280 17.654 ( -0.000 12.692 4.061) 13.325 18.171 ( 0.000 16.348 -4.190) 16.876 18.479 ( 0.000 14.495 -7.859) 16.489 19.043 ( 0.000 -6.522 -15.188) 16.530 19.824 ( -0.000 -1.676 23.364) 23.424 20.302 ( 0.000 10.120 -6.323) 11.933 21.434 ( -0.000 22.815 6.015) 23.595 21.696 ( 0.000 6.416 -15.891) 17.138 22.991 ( -0.000 -15.193 20.183) 25.262 24.289 ( 0.000 -17.438 -18.511) 25.431 ======================= Grid point 427 (157/231) ======================= q-point: ( 0.54 0.46 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.589 ( 4.606 6.720 23.166) 24.557 7.113 ( -3.123 23.475 29.355) 37.716 7.893 ( 5.595 14.218 -15.162) 21.526 8.998 ( -4.360 2.609 12.504) 13.497 9.455 ( -9.488 2.625 -24.734) 26.621 9.547 ( 2.090 11.384 -10.253) 15.462 10.722 ( -4.223 -15.363 6.519) 17.215 10.821 ( 0.373 -24.057 -9.374) 25.822 11.214 ( -9.315 -12.762 13.744) 20.941 11.460 ( 0.999 -12.275 4.443) 13.093 12.061 ( 7.643 -6.691 -4.606) 11.154 12.436 ( -6.485 8.072 10.222) 14.550 12.688 ( 9.218 -0.285 10.326) 13.844 13.415 ( 2.366 -12.276 -9.021) 15.416 14.049 ( -5.755 9.897 -5.231) 12.587 14.429 ( 14.125 -13.326 -3.579) 19.746 14.913 ( 21.779 -19.327 1.449) 29.154 15.422 ( 0.875 11.631 -13.909) 18.152 16.504 ( -10.191 6.764 3.242) 12.654 17.101 ( 2.492 -27.127 23.938) 36.264 17.381 ( -40.122 9.477 -0.209) 41.227 18.383 ( 3.256 14.717 2.693) 15.312 18.587 ( 5.868 -2.494 -9.225) 11.214 18.899 ( 1.105 4.534 -18.051) 18.644 19.881 ( -5.115 -1.866 17.841) 18.654 20.379 ( -0.414 7.902 -5.093) 9.410 21.596 ( 0.202 15.059 -2.517) 15.269 21.862 ( 10.960 16.263 -2.117) 19.726 22.985 ( 2.664 -13.905 17.718) 22.680 23.997 ( -3.148 -16.667 -16.604) 23.736 ======================= Grid point 428 (158/231) ======================= q-point: ( 0.62 0.46 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.851 ( 9.488 -0.450 17.058) 19.524 7.365 ( -5.019 15.009 18.390) 24.263 8.054 ( 5.775 9.240 -5.710) 12.302 8.949 ( -7.027 -6.181 8.593) 12.705 9.089 ( -17.296 -1.825 -23.355) 29.119 9.455 ( -12.943 -0.551 -11.273) 17.172 10.427 ( -5.670 -14.946 1.323) 16.040 10.610 ( 1.386 -10.165 -6.742) 12.276 11.379 ( 8.955 -2.673 9.964) 13.661 11.434 ( 2.938 4.393 14.776) 15.693 12.085 ( 4.205 -6.924 -0.447) 8.114 12.380 ( -5.858 0.120 -12.438) 13.748 12.858 ( 9.896 -1.667 8.503) 13.153 13.416 ( 1.259 8.013 6.542) 10.421 14.144 ( 11.282 1.387 -4.114) 12.089 14.566 ( 20.565 -11.111 -2.054) 23.465 15.139 ( 22.263 -11.952 -3.474) 25.506 15.470 ( 1.840 8.049 -8.771) 12.046 16.339 ( -18.775 5.722 -1.525) 19.687 16.719 ( -46.327 3.886 2.801) 46.574 17.055 ( 3.993 -23.647 21.852) 32.444 18.329 ( -9.833 -5.927 -16.334) 19.965 18.620 ( 1.264 6.048 8.994) 10.912 18.986 ( 7.065 11.280 -15.383) 20.342 19.872 ( -3.441 -2.409 10.256) 11.082 20.298 ( -11.940 2.454 -3.322) 12.634 21.795 ( 10.596 7.186 0.034) 12.803 22.168 ( 5.504 17.249 1.818) 18.197 23.055 ( 9.701 -8.413 10.481) 16.576 23.705 ( -5.608 -11.047 -11.904) 17.180 ======================= Grid point 429 (159/231) ======================= q-point: ( 0.69 0.46 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.075 ( 10.786 -6.579 12.219) 17.576 7.449 ( -4.849 4.776 4.044) 7.917 8.068 ( -6.869 -6.923 4.470) 10.728 8.590 ( -25.220 -7.536 -13.913) 29.773 8.869 ( 5.328 -6.132 -1.348) 8.235 9.114 ( -18.626 1.512 -3.449) 19.003 10.358 ( 1.945 -1.284 4.483) 5.053 10.591 ( 5.630 0.391 -10.893) 12.269 11.459 ( 4.167 -2.238 15.484) 16.190 11.772 ( 9.941 11.412 11.290) 18.882 12.047 ( -1.990 -2.778 -2.500) 4.234 12.205 ( 2.587 -2.743 -21.897) 22.220 13.126 ( 14.528 1.954 12.791) 19.455 13.593 ( 2.424 16.521 -2.193) 16.842 14.313 ( 19.800 -17.170 -0.249) 26.209 14.833 ( 12.106 4.304 -0.987) 12.886 15.275 ( -1.277 2.539 -9.634) 10.044 15.473 ( -3.634 -3.231 2.037) 5.272 15.973 ( -15.168 -0.324 -2.045) 15.309 16.218 ( -22.513 3.144 4.309) 23.136 17.045 ( 5.187 -20.813 20.352) 29.568 17.952 ( -14.934 -5.946 -21.978) 27.229 18.741 ( -1.974 5.686 13.722) 14.984 19.077 ( 4.149 6.500 -13.188) 15.277 19.848 ( -1.369 -4.249 5.093) 6.772 20.058 ( -14.556 -1.389 -2.210) 14.788 21.986 ( 5.954 -2.138 7.698) 9.964 22.326 ( -0.968 8.149 -4.017) 9.137 23.286 ( 20.217 -0.708 -0.291) 20.232 23.514 ( -6.887 2.543 -1.858) 7.573 ======================= Grid point 430 (160/231) ======================= q-point: (-0.23 0.46 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.155 ( -6.084 -8.328 10.280) 14.562 7.335 ( -2.219 -7.229 -9.198) 11.908 7.882 ( -6.112 -14.453 9.879) 18.543 8.028 ( -21.303 -10.748 -6.332) 24.687 8.860 ( -14.412 7.979 9.021) 18.781 9.050 ( 17.955 -2.628 -10.962) 21.200 10.440 ( 1.310 2.921 7.261) 7.936 10.616 ( 4.840 1.223 -12.634) 13.585 11.650 ( 0.159 6.407 22.679) 23.567 11.968 ( 7.677 -5.974 -5.012) 10.942 12.084 ( 3.959 12.412 -0.484) 13.037 12.218 ( 11.275 10.852 -18.077) 23.910 13.483 ( 15.883 3.368 14.219) 21.583 13.723 ( -0.773 16.072 -12.659) 20.473 14.423 ( -16.107 -9.798 5.367) 19.602 14.526 ( -9.882 -15.331 -6.091) 19.230 15.315 ( 7.596 5.407 10.533) 14.067 15.504 ( 5.344 5.756 -10.539) 13.144 15.974 ( -13.274 4.945 2.774) 14.434 15.997 ( 11.273 -6.442 -0.053) 12.984 17.083 ( 6.812 -17.668 20.757) 28.097 17.489 ( -19.943 -3.000 -24.131) 31.449 18.812 ( -6.224 3.373 17.310) 18.702 19.089 ( 3.924 -0.227 -13.601) 14.158 19.792 ( -4.813 -5.752 3.395) 8.233 19.834 ( -5.374 -5.415 -1.377) 7.753 22.044 ( -0.093 -5.808 11.119) 12.545 22.248 ( -5.031 -1.780 -10.953) 12.184 23.499 ( -9.317 16.265 8.121) 20.428 23.657 ( 26.119 2.614 -8.648) 27.637 ======================= Grid point 431 (161/231) ======================= q-point: (-0.15 0.46 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.797 ( -31.574 -3.211 10.856) 33.542 7.226 ( -4.576 -7.610 -10.136) 13.476 7.493 ( -15.156 -10.478 4.352) 18.932 7.971 ( 20.293 -21.327 3.822) 29.686 8.810 ( -10.946 12.159 11.491) 19.993 9.285 ( 23.912 -7.494 -13.223) 28.334 10.516 ( -1.797 2.999 9.570) 10.188 10.637 ( 5.625 1.337 -9.694) 11.287 11.739 ( -10.382 9.269 9.248) 16.709 12.060 ( 12.750 -3.756 -10.936) 17.212 12.276 ( 1.290 16.303 10.764) 19.578 12.497 ( 17.199 16.432 -20.047) 31.108 13.496 ( -48.709 10.146 13.349) 51.514 13.786 ( -1.562 11.248 -10.393) 15.394 13.968 ( 8.713 4.920 6.761) 12.076 14.618 ( 32.374 -41.755 -2.804) 52.910 15.405 ( -10.489 10.481 -1.021) 14.863 15.647 ( 13.915 -0.599 -0.588) 13.940 15.914 ( -5.239 10.003 3.450) 11.807 16.100 ( 5.831 -2.992 -3.577) 7.466 16.998 ( -21.592 0.707 -20.452) 29.749 17.182 ( 8.232 -14.887 22.406) 28.132 18.792 ( -10.961 0.180 16.424) 19.747 19.056 ( 6.309 -7.063 -12.235) 15.473 19.674 ( -3.283 -5.568 2.148) 6.811 19.728 ( -0.686 -10.587 0.118) 10.610 22.035 ( -2.306 -4.131 9.877) 10.952 22.073 ( -4.489 -2.391 -10.895) 12.024 23.548 ( -14.125 20.736 10.878) 27.346 24.044 ( 26.661 1.678 -13.540) 29.949 ======================= Grid point 440 (162/231) ======================= q-point: ( 0.54 0.54 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.686 ( -0.000 -1.460 17.682) 17.742 7.503 ( -0.000 16.474 23.853) 28.989 7.900 ( 0.000 13.795 -13.122) 19.039 9.092 ( -0.000 -0.887 3.378) 3.493 9.374 ( 0.000 -4.387 -28.927) 29.257 9.554 ( 0.000 13.314 -18.753) 22.998 10.558 ( -0.000 -11.911 3.031) 12.290 10.862 ( -0.000 -1.880 20.493) 20.579 11.162 ( -0.000 -22.272 5.821) 23.021 11.394 ( -0.000 -4.797 6.896) 8.401 11.890 ( -0.000 -8.840 -0.143) 8.841 12.671 ( -0.000 3.143 12.328) 12.723 12.711 ( -0.000 4.494 10.646) 11.556 13.151 ( 0.000 -9.172 -14.616) 17.256 14.148 ( -0.000 -11.323 -1.862) 11.475 14.236 ( 0.000 8.437 -6.672) 10.756 14.521 ( -0.000 -19.244 7.291) 20.579 15.451 ( 0.000 15.144 -17.441) 23.098 16.656 ( -0.000 3.479 2.399) 4.227 16.963 ( -0.000 -27.363 24.323) 36.610 17.888 ( 0.000 7.918 -4.435) 9.075 18.334 ( 0.000 2.746 -0.889) 2.886 18.520 ( 0.000 4.250 -7.171) 8.336 18.780 ( 0.000 2.285 -19.607) 19.740 20.043 ( -0.000 -3.868 21.729) 22.070 20.400 ( 0.000 12.003 -13.149) 17.804 21.627 ( 0.000 6.650 -15.561) 16.923 21.998 ( -0.000 21.826 10.688) 24.303 22.936 ( -0.000 -15.108 18.718) 24.054 23.797 ( 0.000 -12.421 -11.594) 16.991 ======================= Grid point 441 (163/231) ======================= q-point: ( 0.62 0.54 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.789 ( 5.114 -5.972 14.738) 16.704 7.649 ( -6.204 3.093 10.915) 12.930 7.978 ( 6.164 5.914 -11.045) 13.963 8.983 ( -6.647 -19.956 -2.703) 21.207 9.102 ( -5.469 6.571 -29.958) 31.154 9.563 ( -3.385 14.273 -16.559) 22.122 10.568 ( -11.164 2.442 18.240) 21.524 10.657 ( -14.092 -6.667 12.554) 20.017 11.229 ( 10.149 -7.517 8.589) 15.273 11.487 ( 8.470 6.525 10.196) 14.775 11.896 ( 7.873 -8.715 3.663) 12.302 12.439 ( -14.535 -12.755 -11.674) 22.589 12.846 ( 5.839 2.589 10.448) 12.245 13.263 ( 15.553 -4.127 0.132) 16.092 14.098 ( -9.516 0.189 -2.038) 9.733 14.227 ( 16.265 2.924 2.125) 16.662 14.677 ( 20.213 -9.420 5.563) 22.983 15.491 ( 0.293 14.848 -17.450) 22.914 16.590 ( -9.802 -0.960 0.349) 9.855 16.891 ( 3.354 -24.181 21.706) 32.667 17.476 ( -39.195 2.746 -5.434) 39.665 18.308 ( -6.228 -8.073 -13.349) 16.797 18.631 ( 8.397 5.650 3.836) 10.823 18.817 ( 11.027 9.708 -18.960) 23.986 20.026 ( -9.059 -2.188 12.637) 15.702 20.420 ( -2.920 5.318 -9.571) 11.332 21.668 ( 8.126 6.941 -9.527) 14.317 22.245 ( 4.026 10.428 3.455) 11.700 22.930 ( 3.375 -13.155 15.789) 20.826 23.666 ( -2.421 -0.232 -2.397) 3.415 ======================= Grid point 442 (164/231) ======================= q-point: (-0.31 -0.46 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.899 ( 8.622 -12.097 11.362) 18.702 7.520 ( -6.236 -12.472 -1.505) 14.025 8.019 ( 3.043 -3.778 -10.414) 11.488 8.604 ( -6.273 -14.254 -19.061) 24.614 8.934 ( -12.379 5.579 -7.898) 15.707 9.462 ( -16.353 13.828 -4.540) 21.892 10.414 ( -5.295 0.900 10.858) 12.114 10.651 ( -8.472 6.275 7.560) 12.973 11.438 ( 10.481 4.687 17.460) 20.897 11.802 ( 8.205 7.845 12.485) 16.874 11.985 ( 7.940 -7.435 6.220) 12.530 12.052 ( -6.306 -5.815 -20.749) 22.452 13.057 ( 11.659 -0.389 9.669) 15.151 13.422 ( 17.607 -15.852 -2.427) 23.815 13.985 ( -4.534 4.154 -4.754) 7.773 14.692 ( 22.234 16.061 7.567) 28.453 14.948 ( 19.532 -8.198 3.642) 21.493 15.525 ( -0.157 11.162 -13.683) 17.659 16.357 ( -17.267 -0.346 -3.856) 17.696 16.748 ( -35.417 -5.298 4.671) 36.114 16.898 ( -2.005 -18.404 15.597) 24.207 17.990 ( -11.979 -5.541 -19.508) 23.553 18.770 ( 6.384 0.333 -2.526) 6.874 18.993 ( 6.755 9.128 -7.971) 13.874 19.912 ( -7.910 -2.351 4.183) 9.251 20.256 ( -12.771 -0.396 -7.071) 14.603 21.865 ( 11.481 1.924 0.926) 11.678 22.312 ( 1.368 -3.243 -6.670) 7.542 23.011 ( 11.052 -8.029 7.653) 15.658 23.711 ( -3.894 15.829 8.622) 18.441 ======================= Grid point 443 (165/231) ======================= q-point: (-0.23 -0.46 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.931 ( 8.952 -22.525 -0.207) 24.240 7.292 ( 1.270 -19.109 -0.010) 19.151 7.816 ( -11.801 -10.513 -7.065) 17.311 8.335 ( -11.387 0.483 -15.957) 19.610 8.749 ( -2.954 -1.194 -4.747) 5.718 9.341 ( -17.622 18.151 7.676) 26.436 10.500 ( 2.906 6.075 1.068) 6.819 10.586 ( -5.706 2.050 3.667) 7.085 11.697 ( 5.446 -8.575 1.593) 10.282 11.913 ( 3.957 13.464 15.025) 20.559 12.073 ( 6.907 3.175 -3.192) 8.245 12.145 ( 5.925 14.062 4.292) 15.851 13.315 ( 22.673 -13.423 1.742) 26.406 13.552 ( 17.028 -14.156 3.289) 22.386 13.956 ( -1.887 8.393 -9.027) 12.470 15.127 ( -5.938 18.366 0.710) 19.315 15.186 ( 15.118 -3.768 -1.325) 15.637 15.516 ( -0.046 4.173 1.758) 4.529 15.969 ( -21.489 3.807 -4.831) 22.352 16.258 ( -17.167 -3.766 3.699) 17.961 16.903 ( 8.186 -20.607 19.409) 29.468 17.602 ( -15.347 -2.930 -23.272) 28.030 18.828 ( 7.032 -4.203 -9.198) 12.318 19.077 ( -3.030 5.907 2.824) 7.215 19.790 ( -4.758 -4.038 -0.712) 6.281 19.976 ( -14.014 -3.611 -4.201) 15.069 22.021 ( 4.974 -4.153 9.225) 11.274 22.193 ( -1.900 -7.292 -10.816) 13.182 23.234 ( 20.636 -2.816 -3.164) 21.066 23.887 ( -6.813 23.390 13.607) 27.905 ======================= Grid point 454 (166/231) ======================= q-point: (-0.38 -0.38 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.752 ( -0.000 -12.068 13.406) 18.038 7.688 ( -0.000 -18.146 3.666) 18.513 7.866 ( 0.000 4.632 -19.209) 19.760 8.755 ( 0.000 -18.486 -20.947) 27.937 9.119 ( 0.000 12.554 -14.401) 19.104 9.665 ( 0.000 21.849 -14.845) 26.415 10.925 ( -0.000 14.336 24.437) 28.332 10.996 ( -0.000 -6.039 17.195) 18.224 11.044 ( -0.000 3.570 20.531) 20.839 11.384 ( 0.000 -4.316 -2.619) 5.048 11.808 ( -0.000 -8.602 13.911) 16.355 12.450 ( 0.000 -17.264 -14.592) 22.605 12.490 ( 0.000 -23.098 -11.435) 25.774 13.334 ( -0.000 17.771 12.939) 21.982 14.124 ( -0.000 6.751 6.790) 9.575 14.298 ( 0.000 5.619 -5.198) 7.654 14.442 ( -0.000 -3.524 15.669) 16.060 15.521 ( 0.000 15.956 -19.995) 25.582 16.633 ( 0.000 -6.568 -2.634) 7.077 16.755 ( -0.000 -24.760 21.950) 33.088 17.772 ( 0.000 -3.659 -18.234) 18.598 18.245 ( 0.000 -6.991 -3.885) 7.998 18.581 ( 0.000 6.066 -1.261) 6.195 18.685 ( 0.000 9.979 -18.920) 21.390 20.184 ( -0.000 -5.377 16.593) 17.442 20.407 ( 0.000 7.707 -17.247) 18.890 21.599 ( 0.000 7.721 -10.978) 13.421 22.251 ( 0.000 -3.835 -1.056) 3.978 22.874 ( -0.000 -14.147 16.642) 21.843 23.770 ( -0.000 14.601 8.192) 16.742 ======================= Grid point 455 (167/231) ======================= q-point: (-0.31 -0.38 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.694 ( 4.348 -22.704 7.444) 24.286 7.383 ( -4.942 -32.066 -5.967) 32.989 7.864 ( 5.101 7.185 -16.332) 18.557 8.452 ( -4.362 -11.966 -19.664) 23.429 9.131 ( -6.577 15.034 -10.149) 19.295 9.771 ( -4.808 23.778 -10.338) 26.370 10.726 ( -22.483 -2.136 15.625) 27.462 10.912 ( -10.920 -2.500 7.266) 13.352 11.485 ( 9.516 14.685 25.804) 31.178 11.667 ( 24.059 -3.695 12.316) 27.279 11.821 ( 1.578 -14.295 12.689) 19.180 12.032 ( -6.862 -1.144 -12.166) 14.014 12.494 ( 20.781 -22.431 -16.238) 34.623 13.496 ( -8.020 15.261 15.178) 22.969 14.178 ( -10.184 6.521 -2.293) 12.308 14.442 ( 22.091 5.879 5.591) 23.534 14.730 ( 14.647 6.448 15.283) 22.128 15.549 ( -0.124 15.170 -19.942) 25.056 16.467 ( -6.480 -10.558 -2.639) 12.666 16.691 ( 3.926 -23.150 18.136) 29.670 17.352 ( -30.056 -3.564 -12.853) 32.883 18.023 ( -11.537 -5.241 -13.637) 18.616 18.615 ( 4.071 1.275 -13.071) 13.749 18.871 ( 14.751 8.273 -5.393) 17.752 20.095 ( -11.870 -1.682 5.580) 13.224 20.345 ( -4.642 0.319 -11.526) 12.430 21.705 ( 9.957 6.190 -4.535) 12.571 22.174 ( 1.923 -11.110 -5.020) 12.342 22.864 ( 3.598 -12.542 13.126) 18.508 24.011 ( -1.519 23.643 14.256) 27.650 ======================= Grid point 456 (168/231) ======================= q-point: (-0.23 -0.38 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.527 ( 5.917 -33.729 -6.188) 34.799 6.973 ( 1.820 -36.958 -4.191) 37.239 7.918 ( -3.936 9.955 -7.734) 13.206 8.206 ( 0.950 -4.457 -17.678) 18.256 9.030 ( -16.927 13.968 -6.510) 22.891 9.816 ( -12.730 22.694 0.646) 26.028 10.503 ( -3.905 -7.675 -3.977) 9.485 10.800 ( -9.758 2.336 13.974) 17.203 11.532 ( -0.506 -17.746 1.082) 17.786 11.870 ( 12.407 -7.876 -2.640) 14.931 12.126 ( 8.997 13.342 27.483) 31.848 12.210 ( 10.186 18.251 12.651) 24.432 12.536 ( 21.005 -19.042 -17.662) 33.403 13.613 ( -3.673 11.124 18.046) 21.515 14.104 ( -6.233 11.436 -5.930) 14.310 14.831 ( 21.282 -4.639 2.481) 21.923 15.202 ( 16.952 17.932 13.517) 28.136 15.549 ( -2.340 10.905 -16.836) 20.196 16.241 ( -8.012 -7.083 -3.467) 11.242 16.649 ( -10.035 -14.898 10.042) 20.579 16.710 ( -20.962 -12.421 2.505) 24.495 17.672 ( -13.810 -3.392 -20.464) 24.920 18.600 ( 5.587 -3.472 -16.293) 17.570 19.111 ( 8.279 5.653 -0.594) 10.043 19.903 ( -11.921 -0.408 0.047) 11.928 20.122 ( -12.283 -4.307 -7.609) 15.077 21.913 ( 10.309 0.627 2.761) 10.691 22.065 ( 1.095 -9.650 -5.860) 11.342 22.930 ( 10.780 -8.912 4.900) 14.820 24.293 ( -4.043 25.893 15.556) 30.476 ======================= Grid point 468 (169/231) ======================= q-point: (-0.31 -0.31 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.413 ( -0.000 -34.087 -1.033) 34.103 7.017 ( 0.000 -42.938 -10.593) 44.225 7.859 ( 0.000 17.390 -10.189) 20.155 8.284 ( 0.000 -7.877 -17.660) 19.337 9.295 ( 0.000 20.428 -10.100) 22.789 9.961 ( 0.000 25.095 -11.797) 27.729 10.798 ( 0.000 -41.313 -8.287) 42.136 11.189 ( -0.000 -16.954 21.800) 27.617 11.223 ( -0.000 6.785 10.221) 12.268 11.764 ( -0.000 -5.118 4.074) 6.542 11.856 ( -0.000 21.697 28.990) 36.210 12.070 ( -0.000 -1.462 2.034) 2.505 12.107 ( 0.000 5.722 -8.827) 10.519 13.866 ( -0.000 18.169 18.571) 25.981 14.275 ( -0.000 0.599 5.348) 5.381 14.320 ( 0.000 2.742 -3.982) 4.835 14.787 ( -0.000 13.090 19.082) 23.140 15.576 ( 0.000 17.095 -22.446) 28.215 16.359 ( 0.000 -17.201 -4.206) 17.708 16.550 ( -0.000 -21.678 16.369) 27.164 17.430 ( 0.000 -5.762 -21.702) 22.454 18.044 ( 0.000 -4.706 -11.308) 12.248 18.621 ( 0.000 0.849 -5.359) 5.426 18.647 ( 0.000 6.995 -14.768) 16.341 20.244 ( -0.000 -3.904 9.205) 9.999 20.284 ( 0.000 2.111 -18.322) 18.443 21.657 ( 0.000 7.639 -4.086) 8.663 22.020 ( -0.000 -13.018 -1.689) 13.127 22.795 ( -0.000 -13.771 13.397) 19.213 24.349 ( -0.000 26.260 16.019) 30.761 ======================= Grid point 469 (170/231) ======================= q-point: (-0.23 -0.31 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.053 ( 2.915 -41.410 -10.662) 42.859 6.522 ( 0.656 -46.267 -10.288) 47.401 8.033 ( 2.606 20.438 -2.615) 20.769 8.104 ( -3.400 -3.257 -14.325) 15.079 9.363 ( -9.229 21.599 -9.657) 25.396 10.130 ( -1.794 24.874 -8.491) 26.345 10.249 ( 1.642 -52.061 -6.921) 52.544 11.061 ( -9.766 -1.217 10.023) 14.047 11.355 ( 5.261 -13.552 3.744) 15.011 11.652 ( -6.726 -1.978 -0.624) 7.038 12.136 ( 6.667 5.742 -5.273) 10.258 12.231 ( 11.571 12.130 13.022) 21.227 12.461 ( 7.907 23.746 30.637) 39.560 13.980 ( -12.254 12.748 18.808) 25.815 14.259 ( -5.468 6.477 -3.573) 9.199 14.507 ( 17.247 -1.860 6.473) 18.515 15.151 ( 15.164 11.292 14.887) 24.064 15.594 ( -1.004 16.648 -21.725) 27.389 16.162 ( -0.566 -16.640 -2.631) 16.856 16.472 ( 3.143 -18.603 12.229) 22.483 17.092 ( -20.578 -4.231 -16.268) 26.571 17.773 ( -15.675 -3.879 -15.419) 22.327 18.441 ( -2.355 -1.495 -15.527) 15.776 18.905 ( 18.424 2.532 -6.548) 19.717 20.095 ( -10.074 1.353 -9.347) 13.808 20.202 ( -7.481 -4.066 -0.727) 8.546 21.779 ( 7.933 4.704 -1.564) 9.354 21.930 ( 2.482 -9.525 1.315) 9.930 22.764 ( 3.371 -12.919 9.548) 16.414 24.674 ( -1.794 25.849 15.453) 30.169 ======================= Grid point 482 (171/231) ======================= q-point: (-0.23 -0.23 0.15) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.548 ( 0.000 -46.227 -14.122) 48.335 5.983 ( 0.000 -51.363 -13.606) 53.134 8.053 ( 0.000 1.973 -11.161) 11.334 8.184 ( 0.000 14.546 2.153) 14.705 9.581 ( -0.000 -64.475 -5.550) 64.713 9.599 ( 0.000 24.635 -10.833) 26.912 10.299 ( 0.000 23.527 -10.266) 25.669 11.141 ( -0.000 -3.209 -0.252) 3.219 11.228 ( 0.000 -4.168 -8.335) 9.319 11.858 ( -0.000 5.329 4.694) 7.102 12.164 ( -0.000 13.481 15.195) 20.313 12.274 ( -0.000 8.089 11.030) 13.679 12.786 ( -0.000 19.421 28.090) 34.150 14.303 ( -0.000 -2.422 1.545) 2.873 14.333 ( -0.000 1.154 2.740) 2.974 14.418 ( -0.000 14.511 21.014) 25.538 15.158 ( -0.000 1.234 13.323) 13.380 15.610 ( 0.000 11.614 -22.079) 24.948 16.010 ( 0.000 -9.205 -1.865) 9.392 16.374 ( -0.000 -9.717 7.410) 12.220 17.101 ( 0.000 -2.637 -18.388) 18.576 17.794 ( 0.000 -4.033 -17.316) 17.780 18.465 ( 0.000 -7.109 -10.636) 12.793 18.602 ( 0.000 4.225 -9.951) 10.811 20.071 ( 0.000 -2.631 -15.974) 16.189 20.283 ( -0.000 0.491 3.427) 3.462 21.763 ( 0.000 5.412 0.500) 5.435 21.843 ( -0.000 -7.252 4.919) 8.763 22.670 ( -0.000 -14.130 9.139) 16.828 25.010 ( -0.000 24.330 14.049) 28.095 ======================= Grid point 553 (172/231) ======================= q-point: ( 0.23 0.23 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.163 ( -0.000 0.000 57.943) 57.943 3.163 ( -0.000 0.000 57.943) 57.943 5.607 ( -0.000 0.000 98.454) 98.454 9.038 ( -0.000 0.000 3.033) 3.033 9.429 ( 0.000 -0.000 -38.779) 38.779 9.429 ( 0.000 -0.000 -38.779) 38.779 11.584 ( 0.000 -0.000 -20.041) 20.041 11.669 ( -0.000 0.000 4.223) 4.223 11.669 ( -0.000 0.000 4.223) 4.223 12.420 ( -0.000 0.000 3.740) 3.740 12.420 ( -0.000 0.000 3.740) 3.740 13.772 ( -0.000 0.000 25.063) 25.063 13.772 ( -0.000 0.000 25.063) 25.063 14.067 ( -0.000 0.000 21.402) 21.402 14.067 ( -0.000 0.000 21.402) 21.402 14.580 ( 0.000 -0.000 -31.709) 31.709 14.846 ( -0.000 0.000 6.526) 6.526 16.473 ( 0.000 -0.000 -11.399) 11.399 16.473 ( 0.000 -0.000 -11.399) 11.399 16.609 ( 0.000 -0.000 -12.363) 12.363 16.609 ( 0.000 -0.000 -12.363) 12.363 17.131 ( 0.000 -0.000 -21.535) 21.535 18.996 ( -0.000 0.000 18.248) 18.248 18.996 ( -0.000 0.000 18.248) 18.248 19.038 ( -0.000 0.000 6.869) 6.869 19.781 ( 0.000 -0.000 -7.859) 7.859 21.659 ( 0.000 -0.000 -13.087) 13.087 21.659 ( 0.000 -0.000 -13.087) 13.087 22.955 ( -0.000 0.000 25.723) 25.723 25.296 ( 0.000 -0.000 -8.608) 8.608 ======================= Grid point 554 (173/231) ======================= q-point: ( 0.31 0.23 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.540 ( 10.096 5.829 53.167) 54.430 3.891 ( 25.960 14.988 54.503) 62.202 6.374 ( 18.690 10.791 89.918) 92.472 8.850 ( -12.367 -7.140 -14.831) 20.588 9.198 ( 2.447 1.413 -20.638) 20.830 9.364 ( 6.173 3.564 -36.724) 37.409 11.489 ( -9.065 -5.234 5.435) 11.794 11.511 ( 4.348 2.510 -19.598) 20.231 11.957 ( 12.722 7.345 6.614) 16.110 12.173 ( -11.102 -6.410 2.945) 13.154 12.722 ( 12.074 6.971 1.588) 14.032 13.080 ( -45.173 -26.081 20.463) 56.031 13.818 ( -21.796 -12.584 21.982) 33.416 14.035 ( -9.054 -5.227 -2.509) 10.751 14.470 ( 14.791 8.540 6.248) 18.186 14.582 ( 16.103 9.297 7.318) 19.982 15.055 ( 5.149 2.973 7.097) 9.259 16.211 ( -2.445 -1.411 -14.123) 14.402 16.220 ( -14.701 -8.488 -17.239) 24.194 16.620 ( 1.654 0.955 -9.219) 9.415 16.858 ( 16.894 9.754 -10.349) 22.083 17.089 ( 8.537 4.929 -16.842) 19.515 18.707 ( -18.304 -10.568 16.879) 27.048 19.088 ( -1.513 -0.873 16.708) 16.799 19.417 ( 12.058 6.962 13.320) 19.269 19.746 ( 0.837 0.483 -6.843) 6.911 21.536 ( 0.008 0.005 -15.015) 15.015 21.631 ( 2.231 1.288 -13.419) 13.664 23.075 ( -2.694 -1.556 25.085) 25.277 25.237 ( -0.867 -0.500 -12.255) 12.296 ======================= Grid point 555 (174/231) ======================= q-point: ( 0.38 0.23 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.171 ( 20.724 11.965 44.277) 50.330 4.799 ( 27.761 16.028 51.719) 60.848 7.424 ( 33.091 19.105 71.299) 80.892 8.532 ( -6.567 -3.791 -17.242) 18.835 9.112 ( -3.050 -1.761 -12.031) 12.536 9.271 ( 4.466 2.579 -32.718) 33.122 11.330 ( -9.168 -5.293 6.332) 12.336 11.544 ( 7.997 4.617 -15.870) 18.361 11.995 ( -5.968 -3.446 0.105) 6.892 12.156 ( -29.107 -16.805 5.828) 34.111 12.295 ( -5.690 -3.285 18.365) 19.505 12.945 ( 6.528 3.769 -0.456) 7.552 13.495 ( -17.626 -10.176 17.876) 27.089 13.665 ( -15.473 -8.933 -21.470) 27.932 14.697 ( 9.167 5.293 -5.897) 12.117 15.004 ( -8.690 -5.017 -1.775) 10.190 15.098 ( 14.983 8.651 26.230) 31.422 15.812 ( -12.550 -7.246 -17.028) 22.360 16.233 ( 8.177 4.721 -7.220) 11.886 16.404 ( -13.824 -7.981 -10.536) 19.126 17.159 ( 14.969 8.642 -4.879) 17.960 17.315 ( 15.814 9.130 -3.576) 18.608 18.446 ( -16.145 -9.321 20.773) 27.911 19.104 ( -4.655 -2.687 11.305) 12.518 19.704 ( 7.423 4.286 13.643) 16.112 19.711 ( -2.211 -1.277 -4.913) 5.537 21.522 ( 7.811 4.510 -14.589) 17.152 21.614 ( 3.897 2.250 -14.107) 14.808 23.144 ( -3.669 -2.118 22.564) 22.958 25.085 ( -5.551 -3.205 -16.636) 17.828 ======================= Grid point 556 (175/231) ======================= q-point: ( 0.46 0.23 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.915 ( 25.978 14.998 35.055) 46.137 5.664 ( 24.687 14.253 49.729) 57.320 8.399 ( 1.536 0.887 -8.578) 8.760 8.528 ( 33.898 19.571 41.315) 56.912 8.892 ( -11.492 -6.635 -10.790) 17.104 9.179 ( 3.229 1.864 -22.209) 22.520 11.174 ( -8.649 -4.994 7.133) 12.273 11.281 ( -36.591 -21.126 15.410) 44.974 11.785 ( 12.138 7.008 -12.448) 18.746 11.923 ( -0.011 -0.006 -3.204) 3.204 12.374 ( -6.525 -3.767 11.693) 13.910 12.975 ( -1.502 -0.867 -7.220) 7.426 13.172 ( -16.872 -9.741 -25.113) 31.784 13.366 ( -0.863 -0.498 10.913) 10.958 14.769 ( 3.126 1.805 -18.027) 18.385 14.817 ( -4.579 -2.644 -4.304) 6.818 15.260 ( -8.295 -4.789 -12.032) 15.379 15.601 ( -9.581 -5.532 10.230) 15.068 16.099 ( -3.721 -2.148 7.877) 8.973 16.370 ( 5.956 3.439 -2.659) 7.373 17.442 ( 12.406 7.162 1.242) 14.379 17.656 ( 14.711 8.493 4.712) 17.628 18.260 ( -13.147 -7.591 22.272) 26.954 19.039 ( -5.353 -3.090 2.964) 6.855 19.550 ( -10.559 -6.096 -1.604) 12.298 19.900 ( 3.279 1.893 13.713) 14.226 21.629 ( 5.168 2.984 -14.308) 15.503 21.707 ( 15.380 8.880 -10.313) 20.537 23.205 ( -1.057 -0.610 17.500) 17.542 24.804 ( -10.414 -6.013 -19.606) 23.001 ======================= Grid point 557 (176/231) ======================= q-point: ( 0.54 0.23 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.680 ( 27.981 16.155 26.680) 41.902 6.447 ( 21.913 12.651 45.961) 52.466 8.420 ( -16.700 -9.641 13.650) 23.625 8.561 ( 5.305 3.063 -22.125) 22.958 8.878 ( -4.083 -2.357 -20.547) 21.081 9.347 ( 1.833 1.058 15.474) 15.618 10.854 ( -3.731 -2.154 20.005) 20.463 11.057 ( -6.192 -3.575 7.778) 10.564 11.932 ( -7.130 -4.117 7.751) 11.307 11.941 ( 3.613 2.086 -5.624) 7.002 12.327 ( 12.377 7.146 -7.923) 16.341 12.670 ( -15.240 -8.799 -25.769) 31.204 12.834 ( -5.180 -2.991 -9.498) 11.224 13.535 ( 9.608 5.547 5.889) 12.561 14.514 ( -20.221 -11.675 -22.474) 32.408 14.786 ( 2.527 1.459 -1.412) 3.242 14.912 ( -8.900 -5.138 -21.863) 24.158 15.299 ( -12.478 -7.204 -3.270) 14.775 16.361 ( 8.091 4.671 31.916) 33.256 16.439 ( 1.026 0.592 1.074) 1.599 17.704 ( 9.569 5.525 6.143) 12.642 17.976 ( 10.712 6.185 9.430) 15.554 18.143 ( -9.154 -5.285 19.568) 22.240 18.834 ( -13.278 -7.666 -14.816) 21.321 19.358 ( -6.053 -3.495 12.122) 13.993 20.013 ( -0.298 -0.172 14.506) 14.510 21.660 ( 5.357 3.093 -13.933) 15.244 21.986 ( 12.307 7.105 -3.165) 14.559 23.344 ( 7.793 4.500 8.834) 12.610 24.417 ( -14.139 -8.163 -21.070) 26.655 ======================= Grid point 558 (177/231) ======================= q-point: ( 0.62 0.23 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.422 ( 28.345 16.365 19.024) 37.857 7.144 ( 18.977 10.956 40.089) 45.687 7.860 ( -31.428 -18.145 0.856) 36.300 8.450 ( -27.078 -15.633 -8.592) 32.425 8.834 ( 17.923 10.348 0.300) 20.698 9.167 ( -12.972 -7.490 -0.585) 14.990 10.996 ( -4.394 -2.537 8.540) 9.934 11.240 ( 20.312 11.727 5.214) 24.026 11.706 ( -9.471 -5.468 5.257) 12.134 11.990 ( 3.124 1.804 -5.202) 6.331 12.243 ( -8.922 -5.151 -26.829) 28.739 12.491 ( -1.997 -1.153 -13.743) 13.935 12.989 ( 29.117 16.811 -0.431) 33.624 13.675 ( -43.490 -25.109 -15.044) 52.423 13.781 ( 10.025 5.788 3.274) 12.029 14.683 ( -1.632 -0.942 -23.339) 23.415 14.863 ( 3.593 2.074 1.705) 4.485 15.093 ( -3.587 -2.071 -10.599) 11.380 16.445 ( -1.983 -1.145 5.675) 6.119 16.681 ( 3.221 1.859 32.619) 32.830 17.873 ( -1.894 -1.093 16.104) 16.252 18.131 ( 2.009 1.160 7.748) 8.088 18.161 ( -8.316 -4.801 7.407) 12.127 18.363 ( -9.227 -5.327 -18.506) 21.354 19.452 ( 4.460 2.575 18.578) 19.278 20.075 ( -1.793 -1.035 15.799) 15.934 21.689 ( 4.718 2.724 -13.332) 14.403 22.141 ( 1.914 1.105 2.975) 3.706 23.663 ( 19.254 11.117 -0.901) 22.251 23.962 ( -16.356 -9.443 -20.821) 28.111 ======================= Grid point 559 (178/231) ======================= q-point: (-0.31 0.23 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.106 ( 12.765 7.370 -0.012) 14.740 7.145 ( -21.544 -12.439 13.951) 28.522 7.651 ( -15.841 -9.146 17.228) 25.127 7.751 ( -10.970 -6.333 15.552) 20.058 8.975 ( -2.386 -1.377 -0.996) 2.929 9.272 ( 20.398 11.777 6.533) 24.443 10.941 ( -6.540 -3.776 8.511) 11.378 11.358 ( -4.756 -2.746 -0.012) 5.492 11.872 ( 16.323 9.424 -3.645) 19.198 11.908 ( -5.874 -3.392 -7.242) 9.923 12.071 ( 2.164 1.249 -20.112) 20.267 12.371 ( 5.302 3.061 -23.591) 24.372 12.582 ( -46.417 -26.799 -12.655) 55.072 13.716 ( 34.457 19.894 -2.965) 39.898 13.995 ( 7.922 4.574 4.868) 10.363 14.530 ( -2.331 -1.346 -15.631) 15.861 14.951 ( 2.857 1.649 7.752) 8.425 15.020 ( 4.365 2.520 -15.381) 16.186 16.413 ( -5.462 -3.154 8.076) 10.247 16.885 ( -1.059 -0.612 29.391) 29.417 17.568 ( -28.047 -16.193 -18.840) 37.468 17.841 ( -8.315 -4.801 18.295) 20.662 18.285 ( 7.165 4.137 4.027) 9.201 18.418 ( 3.006 1.735 7.232) 8.022 19.704 ( 7.043 4.066 20.073) 21.657 20.141 ( -0.348 -0.201 15.329) 15.334 21.704 ( 3.720 2.148 -12.262) 12.992 22.123 ( -4.787 -2.764 3.587) 6.589 23.485 ( -16.832 -9.718 -18.553) 26.870 24.120 ( 24.467 14.126 -7.143) 29.141 ======================= Grid point 560 (179/231) ======================= q-point: (-0.23 0.23 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.343 ( -39.148 -22.602 6.422) 45.658 6.851 ( -42.114 -24.314 7.821) 49.254 7.735 ( 25.035 14.454 3.918) 29.172 7.971 ( 0.279 0.161 17.698) 17.701 9.131 ( 14.683 8.477 7.967) 18.733 9.767 ( 20.665 11.931 9.882) 25.827 10.665 ( -32.209 -18.596 6.147) 37.696 11.273 ( -3.982 -2.299 4.122) 6.175 11.433 ( -32.018 -18.486 -2.205) 37.037 11.820 ( 1.741 1.005 -9.321) 9.536 12.053 ( 6.339 3.660 -9.472) 11.970 12.206 ( 6.279 3.625 -16.477) 18.001 12.531 ( 21.819 12.597 -31.439) 40.289 14.167 ( 9.896 5.713 -2.680) 11.737 14.286 ( 17.677 10.206 -12.833) 24.111 14.394 ( -3.481 -2.010 -8.025) 8.976 15.092 ( 9.688 5.594 -15.235) 18.901 15.169 ( 11.479 6.627 22.026) 25.707 16.267 ( -12.508 -7.222 6.161) 15.702 16.835 ( -23.857 -13.774 -9.147) 29.027 17.039 ( -3.829 -2.210 16.491) 17.074 17.787 ( -5.852 -3.379 17.248) 18.524 18.454 ( 5.475 3.161 6.936) 9.385 18.486 ( -1.460 -0.843 9.509) 9.658 19.946 ( 3.900 2.252 19.140) 19.663 20.234 ( 1.615 0.932 9.402) 9.585 21.712 ( 3.248 1.875 -8.882) 9.641 22.003 ( -6.952 -4.014 0.174) 8.029 23.038 ( -15.366 -8.871 -14.292) 22.783 24.595 ( 24.171 13.955 -10.990) 29.996 ======================= Grid point 567 (180/231) ======================= q-point: ( 0.31 0.31 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.964 ( -0.000 20.581 52.044) 55.965 4.144 ( -0.000 23.511 54.523) 59.376 6.875 ( -0.000 14.421 87.757) 88.934 8.730 ( 0.000 -12.018 -41.078) 42.800 8.943 ( 0.000 -5.868 -5.971) 8.372 9.317 ( 0.000 18.322 -27.226) 32.817 11.348 ( 0.000 -2.953 -17.317) 17.567 11.572 ( -0.000 -2.924 4.522) 5.385 11.987 ( -0.000 12.651 8.812) 15.418 12.193 ( -0.000 -13.312 2.965) 13.639 12.726 ( 0.000 12.475 0.787) 12.499 13.429 ( -0.000 -37.099 20.306) 42.292 13.790 ( -0.000 -34.824 20.354) 40.336 13.886 ( 0.000 -21.292 -7.608) 22.610 14.353 ( 0.000 4.993 -12.701) 13.647 14.600 ( -0.000 10.140 19.165) 21.683 15.235 ( -0.000 15.392 14.488) 21.139 15.992 ( 0.000 -17.362 -12.742) 21.536 16.399 ( 0.000 12.141 -13.879) 18.440 16.505 ( 0.000 -4.575 -17.791) 18.369 16.761 ( 0.000 28.211 -9.838) 29.877 17.069 ( 0.000 20.674 -17.535) 27.109 18.719 ( -0.000 -27.743 15.113) 31.592 19.259 ( -0.000 1.465 21.605) 21.655 19.526 ( -0.000 17.715 13.171) 22.075 19.691 ( 0.000 -1.588 -5.620) 5.840 21.373 ( 0.000 -7.831 -16.246) 18.035 21.587 ( 0.000 6.026 -14.512) 15.713 23.216 ( -0.000 -4.752 25.099) 25.545 25.165 ( 0.000 -2.046 -12.701) 12.865 ======================= Grid point 568 (181/231) ======================= q-point: ( 0.38 0.31 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.455 ( 1.144 25.963 46.888) 53.609 4.905 ( 20.181 24.953 51.266) 60.483 7.641 ( 15.660 17.833 72.760) 76.533 8.388 ( -0.235 -6.892 -33.530) 34.232 8.888 ( 3.465 -5.363 -10.373) 12.180 9.304 ( -4.283 16.725 -22.559) 28.407 11.256 ( 4.685 -7.424 -10.887) 13.985 11.544 ( -4.713 5.216 0.519) 7.050 12.030 ( -5.228 -9.512 1.820) 11.006 12.229 ( 6.718 7.602 8.711) 13.372 12.697 ( -32.071 -28.575 12.961) 44.867 12.892 ( -2.083 -4.187 2.229) 5.180 13.531 ( -6.543 -26.080 0.772) 26.900 13.702 ( -2.943 -15.451 -4.456) 16.348 14.430 ( 13.833 -9.186 -4.649) 17.244 14.801 ( 6.091 -5.300 5.307) 9.662 15.357 ( -1.906 5.973 16.291) 17.456 15.874 ( 4.397 -9.425 -8.852) 13.658 16.106 ( -12.949 7.439 -13.645) 20.229 16.559 ( -9.697 7.050 -9.683) 15.411 17.023 ( 10.235 27.057 -9.079) 30.320 17.301 ( 9.037 27.871 -9.402) 30.771 18.517 ( -3.468 -27.517 17.880) 32.999 19.311 ( -8.344 1.202 12.367) 14.967 19.658 ( 1.433 -1.915 4.010) 4.669 19.803 ( 3.180 12.483 11.072) 16.986 21.258 ( 7.109 -6.262 -16.551) 19.071 21.569 ( 1.226 7.947 -15.047) 17.060 23.287 ( -2.126 -6.851 23.568) 24.635 25.025 ( -3.315 -5.257 -15.660) 16.848 ======================= Grid point 569 (182/231) ======================= q-point: ( 0.46 0.31 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.044 ( 9.373 26.311 39.403) 48.298 5.757 ( 20.670 21.050 49.647) 57.751 8.168 ( 10.466 -3.697 -24.956) 27.313 8.553 ( 17.588 19.835 39.348) 47.445 8.835 ( 2.215 -5.286 2.658) 6.318 9.212 ( -8.007 14.290 -21.617) 27.123 11.205 ( 2.004 -10.634 1.056) 10.873 11.571 ( 2.081 8.740 -3.550) 9.660 11.795 ( -33.362 -25.898 10.560) 43.535 11.932 ( -6.474 -4.487 -2.450) 8.249 12.464 ( 1.675 -5.186 14.965) 15.927 12.754 ( -0.089 -23.561 -14.657) 27.748 13.282 ( -5.705 -4.180 -1.154) 7.166 13.449 ( -10.563 -4.106 -4.887) 12.342 14.459 ( 12.263 -21.578 -5.552) 25.432 14.730 ( -1.804 -0.893 -16.034) 16.160 15.568 ( -11.604 12.256 4.224) 17.398 15.715 ( 2.501 0.303 7.280) 7.704 16.088 ( 7.271 -9.843 -8.373) 14.828 16.295 ( -15.554 3.959 0.831) 16.072 17.399 ( 9.745 21.832 -1.227) 23.939 17.679 ( 8.124 27.926 -1.953) 29.149 18.335 ( -2.327 -24.762 19.920) 31.865 19.177 ( -10.668 -2.965 -0.719) 11.095 19.664 ( -5.449 -0.396 7.968) 9.661 19.993 ( 0.139 6.981 13.316) 15.036 21.315 ( 15.409 -2.200 -14.080) 20.988 21.622 ( 5.514 11.995 -14.191) 19.382 23.311 ( -2.348 -7.141 20.120) 21.478 24.771 ( -7.594 -8.381 -18.479) 21.665 ======================= Grid point 570 (183/231) ======================= q-point: ( 0.54 0.31 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.690 ( 15.029 24.408 31.443) 42.548 6.531 ( 18.469 15.629 47.381) 53.201 8.206 ( 15.715 -2.719 -25.326) 29.930 8.655 ( -9.998 -5.344 9.936) 15.074 8.931 ( -10.931 10.965 -21.372) 26.391 9.380 ( 11.332 8.809 17.858) 22.910 11.099 ( -18.621 -14.959 19.052) 30.554 11.149 ( -8.046 -9.161 2.955) 12.546 11.730 ( 11.840 -2.827 -0.837) 12.201 11.916 ( 2.254 0.032 -7.471) 7.803 12.306 ( -4.057 -13.922 -1.219) 14.553 12.478 ( -1.880 -16.373 -11.379) 20.027 13.058 ( -19.093 6.509 -10.340) 22.668 13.407 ( 9.723 -5.977 5.415) 12.633 14.445 ( 12.033 -16.363 -4.176) 20.737 14.579 ( -6.330 7.534 -27.690) 29.386 15.276 ( -27.415 12.610 -10.118) 31.827 15.616 ( -27.131 5.590 -0.340) 27.703 16.150 ( 20.771 -16.213 9.234) 27.920 16.381 ( 12.282 -5.618 17.075) 21.771 17.714 ( 5.739 16.567 5.774) 18.459 17.995 ( 4.366 9.412 5.234) 11.621 18.251 ( 0.141 -6.801 16.086) 17.465 18.897 ( -13.481 -9.086 -12.052) 20.237 19.587 ( -11.155 4.534 11.477) 16.635 20.103 ( -0.493 0.714 13.598) 13.626 21.472 ( 11.487 2.675 -12.009) 16.833 21.828 ( 13.385 12.586 -8.781) 20.363 23.342 ( 1.514 -4.330 13.766) 14.510 24.414 ( -11.298 -10.534 -20.216) 25.442 ======================= Grid point 571 (184/231) ======================= q-point: ( 0.62 0.31 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.339 ( 18.526 21.532 23.378) 36.789 7.199 ( 16.624 9.575 42.128) 46.290 8.086 ( -12.680 -13.619 -11.614) 21.935 8.562 ( -9.104 -2.355 -4.306) 10.343 8.753 ( 1.209 9.692 -4.849) 10.905 9.341 ( -16.700 -11.600 3.931) 20.710 11.007 ( 4.379 -5.425 -1.373) 7.105 11.133 ( 5.110 5.251 12.626) 14.598 11.657 ( -4.433 -23.851 -12.930) 27.490 11.842 ( 8.977 -5.167 -2.125) 10.574 12.186 ( -9.615 -9.287 -9.990) 16.688 12.473 ( 9.269 7.656 -5.612) 13.268 12.842 ( 0.225 11.368 -2.602) 11.664 13.590 ( 14.386 -6.089 3.886) 16.098 14.157 ( -36.498 1.892 -17.755) 40.631 14.489 ( 6.813 -4.014 -10.813) 13.396 14.946 ( -11.843 8.344 -7.815) 16.460 15.308 ( -19.257 12.280 -4.702) 23.318 16.314 ( 12.862 -14.983 6.818) 20.891 16.676 ( 14.725 -10.812 26.123) 31.877 17.952 ( 6.407 -1.524 8.353) 10.637 18.021 ( -2.092 -5.924 15.558) 16.779 18.410 ( -18.960 -7.560 -10.389) 22.904 18.438 ( -1.297 14.665 -3.253) 15.077 19.592 ( -3.879 6.488 15.731) 17.453 20.158 ( -0.405 -3.637 12.976) 13.483 21.585 ( 5.005 8.059 -10.690) 14.292 22.090 ( 9.245 5.387 -0.484) 10.711 23.484 ( 11.721 2.928 3.502) 12.578 23.986 ( -13.755 -11.430 -20.405) 27.133 ======================= Grid point 572 (185/231) ======================= q-point: ( 0.69 0.31 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.945 ( 19.286 17.558 11.934) 28.682 7.479 ( -21.490 -18.469 5.415) 28.848 7.801 ( 4.481 6.090 32.714) 33.576 8.079 ( -30.181 -15.317 -4.558) 34.151 9.003 ( -5.762 -6.432 -1.074) 8.702 9.108 ( 16.386 10.937 6.937) 20.886 10.938 ( 0.969 -15.088 2.735) 15.364 11.323 ( -2.252 -9.744 -9.019) 13.467 11.500 ( 21.429 4.626 -14.505) 26.287 11.883 ( 0.126 -7.986 1.942) 8.219 11.986 ( 1.244 7.637 -16.101) 17.864 12.356 ( -7.933 0.196 -11.751) 14.180 13.196 ( -37.636 -3.659 -10.716) 39.303 13.377 ( 9.909 14.518 -2.626) 17.772 13.836 ( 13.834 -4.834 8.526) 16.954 14.493 ( 0.727 6.511 -9.519) 11.556 14.931 ( 1.655 9.774 -7.834) 12.635 15.146 ( -11.811 12.236 -2.633) 17.209 16.393 ( 6.453 -11.792 8.615) 15.966 16.914 ( 10.350 -14.240 24.926) 30.516 17.759 ( -26.959 -13.328 -22.512) 37.566 17.893 ( 1.067 -21.519 11.048) 24.213 18.184 ( 1.074 7.598 14.733) 16.612 18.649 ( -1.543 20.063 3.976) 20.511 19.750 ( 4.482 3.063 17.602) 18.420 20.189 ( 1.026 -5.886 11.507) 12.966 21.662 ( 0.614 11.032 -8.642) 14.027 22.179 ( -1.319 -1.995 4.556) 5.146 23.533 ( -14.657 -10.818 -18.597) 26.033 23.816 ( 21.768 10.086 -6.310) 24.807 ======================= Grid point 573 (186/231) ======================= q-point: (-0.23 0.31 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.768 ( -33.497 -17.543 0.417) 37.815 7.289 ( -28.968 -20.168 3.982) 35.521 7.596 ( 9.684 13.185 12.894) 20.830 8.071 ( 0.456 -2.963 22.432) 22.631 8.998 ( 10.991 0.516 5.141) 12.145 9.599 ( 22.005 12.368 8.796) 26.731 10.790 ( -3.627 -20.219 3.454) 20.830 11.162 ( 3.513 -10.571 -13.539) 17.532 11.679 ( 2.951 -5.456 1.082) 6.297 11.864 ( -5.669 0.615 -13.574) 14.723 12.064 ( 2.988 9.414 -8.465) 13.008 12.195 ( -22.350 7.526 -19.916) 30.867 12.297 ( -14.308 6.884 -5.471) 16.794 13.787 ( 21.904 3.505 -17.491) 28.249 14.087 ( 13.556 -4.541 7.602) 16.191 14.535 ( -5.106 16.234 -4.663) 17.645 15.014 ( 2.595 16.154 -15.770) 22.724 15.212 ( 5.449 8.219 16.206) 18.970 16.372 ( -3.610 -9.824 7.103) 12.649 17.023 ( -7.318 -15.425 6.696) 18.339 17.077 ( -13.579 -13.156 -6.536) 20.005 17.793 ( 2.133 -19.049 12.749) 23.020 18.340 ( 1.574 1.811 15.267) 15.454 18.802 ( -4.741 18.736 4.335) 19.807 19.956 ( 7.457 -3.169 16.223) 18.133 20.219 ( 2.515 -6.549 7.174) 10.034 21.713 ( -1.707 11.289 -5.050) 12.484 22.096 ( -7.319 -4.207 3.393) 9.099 23.110 ( -14.187 -8.149 -14.707) 21.999 24.252 ( 24.829 12.317 -11.978) 30.194 ======================= Grid point 581 (187/231) ======================= q-point: ( 0.38 0.38 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.041 ( -0.000 31.429 44.269) 54.291 5.261 ( -0.000 29.334 49.269) 57.340 7.943 ( 0.000 -0.363 -2.190) 2.219 8.246 ( -0.000 11.739 30.366) 32.556 8.802 ( 0.000 2.252 -9.798) 10.053 9.368 ( 0.000 15.062 -19.149) 24.363 11.078 ( 0.000 -8.164 -9.130) 12.248 11.647 ( -0.000 5.778 2.722) 6.388 11.986 ( -0.000 -11.067 0.042) 11.067 12.277 ( -0.000 5.196 8.297) 9.790 12.719 ( 0.000 -15.881 -7.364) 17.505 12.889 ( -0.000 -42.429 11.501) 43.960 13.339 ( -0.000 -36.525 18.934) 41.141 13.475 ( 0.000 1.655 -11.427) 11.546 14.216 ( 0.000 -2.726 -16.650) 16.872 14.756 ( -0.000 -7.750 7.163) 10.553 15.444 ( -0.000 -6.826 10.676) 12.672 15.592 ( 0.000 -13.342 -8.330) 15.729 16.266 ( 0.000 2.796 -11.657) 11.987 16.753 ( 0.000 27.467 0.410) 27.470 17.305 ( 0.000 40.935 -8.768) 41.864 17.349 ( 0.000 26.959 -13.524) 30.161 18.365 ( -0.000 -30.685 17.913) 35.531 19.403 ( -0.000 -6.409 0.398) 6.422 19.699 ( -0.000 0.893 16.861) 16.885 19.974 ( -0.000 13.090 11.671) 17.538 21.048 ( 0.000 -3.413 -15.968) 16.328 21.533 ( 0.000 7.255 -16.014) 17.581 23.363 ( -0.000 -10.226 23.283) 25.430 24.895 ( 0.000 -8.382 -16.633) 18.626 ======================= Grid point 582 (188/231) ======================= q-point: ( 0.46 0.38 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.522 ( -3.723 31.507 40.002) 51.056 5.975 ( 14.916 26.153 46.950) 55.774 7.801 ( 7.275 -2.861 -33.778) 34.671 8.739 ( 2.144 13.179 14.933) 20.032 8.830 ( 8.143 10.417 22.483) 26.083 9.338 ( -6.005 11.451 -17.285) 21.585 11.012 ( 5.825 -9.315 -1.271) 11.059 11.680 ( -5.244 4.411 3.774) 7.823 11.869 ( -1.087 -5.082 -3.950) 6.528 12.211 ( -32.253 -31.331 10.609) 46.200 12.342 ( 5.455 -17.747 -12.673) 22.479 12.492 ( -2.039 -21.804 8.037) 23.328 13.178 ( 3.937 -24.750 11.111) 27.413 13.559 ( 0.657 12.729 -8.943) 15.571 14.067 ( 2.982 -15.537 -13.151) 20.573 14.680 ( -1.696 -4.229 -6.170) 7.670 15.457 ( 11.596 -10.548 6.232) 16.869 15.616 ( 14.700 -12.490 -0.196) 19.291 16.133 ( -14.701 11.076 -5.465) 19.201 16.787 ( -25.307 18.458 -1.210) 31.346 17.518 ( 4.293 30.721 -4.033) 31.280 17.786 ( 10.212 29.584 -5.746) 31.820 18.205 ( 1.640 -25.656 17.849) 31.298 19.241 ( -7.262 -9.425 -6.662) 13.637 19.813 ( -2.270 0.533 20.122) 20.257 20.143 ( 0.592 8.007 8.036) 11.359 21.036 ( 8.177 4.638 -11.020) 14.484 21.546 ( 4.874 9.113 -15.886) 18.951 23.378 ( -1.539 -11.810 21.471) 24.553 24.667 ( -4.099 -11.372 -18.246) 21.887 ======================= Grid point 583 (189/231) ======================= q-point: ( 0.54 0.38 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.008 ( 1.762 29.133 33.682) 44.569 6.692 ( 14.484 16.941 44.794) 50.033 7.785 ( 14.083 1.945 -28.868) 32.179 8.778 ( -1.928 8.654 -4.449) 9.920 9.121 ( -13.323 5.022 -9.599) 17.171 9.376 ( 11.215 10.176 13.005) 19.962 11.057 ( 5.992 -9.372 5.791) 12.541 11.414 ( -26.152 -23.686 11.180) 37.013 11.655 ( -6.371 -12.451 5.987) 15.214 11.789 ( -1.801 -14.064 -12.889) 19.161 12.083 ( 6.507 -6.582 -9.051) 12.945 12.422 ( -3.708 -10.317 5.876) 12.439 13.156 ( 9.433 -14.268 7.156) 18.542 13.410 ( -20.757 5.868 -12.151) 24.757 14.050 ( 17.266 -11.099 -3.026) 20.748 14.596 ( -2.027 9.456 -20.187) 22.383 15.617 ( 10.604 -12.299 1.333) 16.294 15.717 ( 6.399 -5.528 1.302) 8.555 16.028 ( -5.665 6.214 5.646) 10.129 16.409 ( -29.419 7.425 -0.382) 30.344 17.840 ( 3.326 11.898 8.138) 14.794 17.971 ( 3.466 -7.740 11.004) 13.892 18.309 ( 6.696 19.188 0.461) 20.328 18.935 ( -11.702 -11.586 -11.580) 20.131 19.853 ( -6.457 1.423 15.489) 16.841 20.209 ( -3.311 2.251 5.714) 6.977 21.257 ( 14.108 11.024 -4.285) 18.409 21.687 ( 10.804 12.406 -13.028) 20.985 23.362 ( -0.954 -10.957 17.587) 20.743 24.342 ( -7.911 -13.209 -19.389) 24.759 ======================= Grid point 584 (190/231) ======================= q-point: ( 0.62 0.38 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.508 ( 6.472 25.091 26.372) 36.971 7.257 ( 13.394 3.678 34.651) 37.331 7.911 ( 11.405 5.366 -15.426) 19.920 8.777 ( -13.662 5.399 -27.630) 31.292 8.835 ( -7.385 2.914 18.198) 19.855 9.473 ( -8.464 -8.967 0.332) 12.335 10.867 ( -3.650 -14.678 -5.945) 16.251 11.165 ( -2.378 -15.952 3.496) 16.503 11.391 ( 0.337 -14.521 -4.299) 15.147 11.679 ( 4.393 -6.557 4.050) 8.871 12.231 ( -9.239 -8.520 -0.547) 12.580 12.299 ( 14.214 8.039 -4.722) 16.999 13.057 ( -15.534 5.798 -3.987) 17.053 13.291 ( 14.872 -10.444 3.609) 18.528 14.251 ( 12.979 -0.853 0.228) 13.009 14.527 ( -8.566 18.580 -23.730) 31.332 15.369 ( -30.299 6.814 -4.112) 31.326 15.751 ( -11.509 2.544 -5.443) 12.983 15.952 ( 3.543 -8.662 11.558) 14.872 16.355 ( 19.408 -16.488 12.188) 28.233 17.823 ( 1.457 -23.410 16.646) 28.762 18.158 ( 0.937 11.956 6.308) 13.551 18.522 ( -16.093 -7.723 -13.840) 22.587 18.595 ( 4.213 19.844 -1.089) 20.316 19.839 ( -7.910 4.129 12.635) 15.468 20.178 ( -1.639 -5.231 4.963) 7.395 21.562 ( 7.824 16.283 -0.766) 18.081 21.948 ( 13.943 10.092 -6.564) 18.421 23.381 ( 4.385 -6.175 10.068) 12.599 23.951 ( -10.693 -13.329 -19.257) 25.746 ======================= Grid point 585 (191/231) ======================= q-point: ( 0.69 0.38 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.973 ( 8.810 19.566 15.237) 26.318 7.508 ( 2.425 -11.944 7.334) 14.224 8.028 ( -2.327 3.927 22.094) 22.561 8.351 ( -22.118 -4.634 -12.935) 26.038 8.980 ( 5.748 3.086 9.002) 11.117 9.119 ( -11.521 -10.254 0.089) 15.423 10.713 ( 3.065 -18.986 -5.751) 20.073 10.950 ( 9.963 -14.938 -24.626) 30.477 11.450 ( 2.010 10.085 7.775) 12.892 11.762 ( 7.654 -3.778 3.180) 9.108 12.012 ( -7.612 -1.462 -6.412) 10.059 12.353 ( -1.801 -5.853 -11.695) 13.201 13.138 ( 9.507 17.454 -3.221) 20.134 13.485 ( 15.527 -6.697 4.002) 17.377 14.148 ( -40.140 9.279 -5.071) 41.509 14.495 ( 5.432 11.305 -0.531) 12.554 15.035 ( -9.869 11.146 -6.672) 16.314 15.509 ( -19.291 12.255 -4.699) 23.333 16.096 ( 17.253 -18.676 10.281) 27.426 16.591 ( 20.534 -21.747 12.181) 32.295 17.726 ( 1.542 -22.552 15.217) 27.249 17.898 ( -20.991 -11.123 -22.836) 32.952 18.424 ( -4.344 11.338 15.731) 19.872 18.820 ( 2.959 16.934 -1.592) 17.264 19.844 ( -3.295 1.527 11.020) 11.603 20.139 ( 1.868 -9.437 5.565) 11.114 21.782 ( -0.497 19.098 -0.627) 19.115 22.164 ( 5.799 1.357 2.516) 6.465 23.531 ( -1.708 -6.227 -10.586) 12.400 23.557 ( 5.156 -1.942 -7.797) 9.547 ======================= Grid point 586 (192/231) ======================= q-point: (-0.23 0.38 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.071 ( -19.621 -5.618 -6.549) 21.434 7.413 ( -1.892 -4.770 10.071) 11.303 7.855 ( -21.955 -5.602 6.979) 23.709 8.177 ( -0.592 -4.704 26.027) 26.455 8.871 ( 2.336 -7.012 0.762) 7.430 9.374 ( 21.419 5.486 5.275) 22.731 10.577 ( 4.670 -13.733 -5.349) 15.461 10.868 ( 7.906 -10.459 -18.175) 22.410 11.662 ( 4.055 3.187 12.729) 13.734 11.797 ( 0.856 3.838 -11.118) 11.793 11.992 ( 6.738 10.008 -8.667) 14.855 12.191 ( -2.197 0.856 -16.815) 16.980 13.138 ( -43.605 5.729 -1.713) 44.013 13.507 ( 1.615 8.908 -10.735) 14.043 13.856 ( 11.980 -3.793 9.527) 15.769 14.735 ( 3.314 19.595 4.389) 20.353 15.070 ( -0.670 14.890 -11.192) 18.639 15.363 ( -7.098 9.712 3.723) 12.593 16.236 ( 12.218 -16.564 9.079) 22.497 16.715 ( 15.380 -27.295 7.211) 32.149 17.272 ( -25.997 -8.632 -23.572) 36.138 17.657 ( 2.285 -18.665 17.312) 25.559 18.538 ( -5.273 7.653 17.556) 19.864 18.988 ( 1.692 13.221 -1.435) 13.406 19.881 ( 3.038 -5.953 7.510) 10.053 20.132 ( 3.624 -10.158 6.724) 12.709 21.893 ( -5.291 16.382 -1.581) 17.287 22.182 ( -4.153 -4.353 6.574) 8.912 23.181 ( -12.351 -4.612 -11.689) 17.619 23.892 ( 23.361 8.792 -10.594) 27.116 ======================= Grid point 595 (193/231) ======================= q-point: ( 0.46 0.46 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.094 ( -0.000 26.927 37.879) 46.475 6.360 ( -0.000 28.870 43.290) 52.033 7.536 ( 0.000 3.449 -33.675) 33.851 8.807 ( 0.000 11.918 -13.130) 17.732 9.080 ( -0.000 13.468 29.378) 32.318 9.392 ( 0.000 7.431 -12.053) 14.160 10.899 ( -0.000 -7.826 8.582) 11.615 11.764 ( -0.000 -11.255 3.672) 11.839 11.838 ( 0.000 10.587 -4.392) 11.462 11.914 ( 0.000 -38.674 -17.896) 42.614 12.233 ( -0.000 -36.524 7.563) 37.299 12.487 ( -0.000 -1.352 9.031) 9.131 12.936 ( -0.000 -29.562 20.331) 35.878 13.554 ( 0.000 6.786 -7.494) 10.110 13.937 ( 0.000 2.668 -22.314) 22.473 14.600 ( -0.000 -12.636 2.550) 12.890 15.285 ( 0.000 -5.541 -11.603) 12.858 15.318 ( -0.000 -17.339 6.522) 18.525 16.346 ( 0.000 10.240 -0.036) 10.240 17.251 ( -0.000 21.812 4.054) 22.185 17.712 ( 0.000 26.432 -10.400) 28.404 17.886 ( 0.000 10.322 1.837) 10.484 18.070 ( -0.000 -6.957 9.714) 11.949 19.162 ( 0.000 -11.487 -8.083) 14.046 19.976 ( -0.000 0.175 23.387) 23.388 20.171 ( 0.000 1.375 -2.547) 2.895 21.061 ( 0.000 18.319 -0.406) 18.323 21.472 ( 0.000 7.312 -17.170) 18.662 23.394 ( -0.000 -14.430 21.402) 25.812 24.473 ( 0.000 -14.044 -18.451) 23.188 ======================= Grid point 596 (194/231) ======================= q-point: ( 0.54 0.46 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.486 ( -2.628 22.168 32.206) 39.186 6.916 ( 6.367 18.622 36.561) 41.521 7.502 ( 8.873 13.175 -24.239) 28.980 8.834 ( -0.421 14.823 -20.187) 25.048 9.301 ( -5.283 3.092 2.170) 6.495 9.361 ( 3.453 5.329 -0.100) 6.351 10.960 ( 3.536 -6.146 17.120) 18.530 11.395 ( -4.607 -39.274 -13.487) 41.780 11.626 ( -8.395 -15.546 3.949) 18.104 11.740 ( -13.563 -20.393 1.161) 24.519 11.992 ( 4.158 4.150 1.436) 6.048 12.475 ( -6.146 -1.657 8.505) 10.623 12.904 ( 8.010 -16.548 11.888) 21.893 13.617 ( 4.892 -15.339 -10.791) 19.382 13.765 ( -5.310 16.253 -8.219) 18.971 14.541 ( 3.865 -2.631 -7.033) 8.446 15.233 ( 10.555 -10.708 -4.516) 15.700 15.380 ( 18.622 -15.389 2.509) 24.288 16.338 ( -12.767 11.529 0.379) 17.206 17.107 ( -34.837 17.012 -2.257) 38.835 17.797 ( -0.102 -26.542 21.154) 33.941 18.021 ( 7.375 22.937 -0.832) 24.108 18.319 ( 12.269 20.650 -9.624) 25.876 18.926 ( -8.430 -11.834 -10.302) 17.811 20.010 ( -5.110 -2.755 13.387) 14.591 20.255 ( 4.145 3.376 -0.302) 5.354 21.265 ( 1.853 19.940 3.230) 20.284 21.553 ( 10.351 12.329 -12.331) 20.278 23.369 ( -0.981 -14.874 19.697) 24.702 24.193 ( -3.991 -15.242 -18.308) 24.155 ======================= Grid point 597 (195/231) ======================= q-point: ( 0.62 0.46 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.834 ( 2.078 17.052 25.433) 30.691 7.245 ( 4.892 5.871 10.047) 12.623 7.788 ( 12.576 17.027 4.888) 21.725 8.788 ( -3.466 11.118 -31.564) 33.644 9.149 ( -13.900 -2.121 14.181) 19.970 9.432 ( 2.112 -3.258 -10.433) 11.132 10.827 ( -13.138 -22.780 3.037) 26.472 10.916 ( -5.268 -29.383 -9.875) 31.443 11.421 ( -0.228 -0.495 18.430) 18.438 11.590 ( 1.477 -8.029 0.775) 8.201 12.130 ( 8.072 0.617 -3.499) 8.819 12.352 ( -10.990 -1.291 2.833) 11.422 12.993 ( 12.028 -9.259 3.622) 15.605 13.340 ( -14.485 2.333 -1.196) 14.721 14.026 ( 17.578 5.925 1.185) 18.587 14.575 ( 4.325 9.029 -15.723) 18.640 15.326 ( 17.813 -16.792 -1.378) 24.519 15.577 ( 15.909 -12.764 4.084) 20.801 16.185 ( -14.947 7.213 -1.881) 16.702 16.583 ( -41.254 10.794 -0.666) 42.648 17.681 ( 1.165 -27.114 22.264) 35.103 18.266 ( -0.961 9.266 -2.708) 9.701 18.577 ( 0.897 0.838 -6.559) 6.673 18.656 ( 0.785 11.973 -10.605) 16.014 19.987 ( -2.125 -3.928 9.674) 10.655 20.240 ( -7.376 1.604 -2.663) 8.004 21.584 ( 13.252 16.460 4.202) 21.545 21.818 ( 9.367 17.848 -6.075) 21.053 23.334 ( 0.399 -12.628 15.512) 20.006 23.859 ( -7.179 -13.888 -16.842) 22.980 ======================= Grid point 598 (196/231) ======================= q-point: ( 0.69 0.46 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.155 ( 4.311 11.567 17.652) 21.540 7.367 ( 3.932 0.103 -2.212) 4.512 8.142 ( 7.392 5.082 16.792) 19.038 8.535 ( -13.853 2.634 -23.326) 27.257 9.036 ( -4.828 -6.165 11.631) 14.021 9.201 ( -13.043 -12.358 -6.744) 19.191 10.509 ( -2.172 -14.641 -0.287) 14.804 10.611 ( 0.690 -11.514 -12.256) 16.831 11.572 ( 0.606 5.430 9.987) 11.384 11.634 ( 7.768 0.456 3.928) 8.717 12.106 ( -8.188 -4.434 0.228) 9.314 12.200 ( 1.550 -6.455 -11.833) 13.568 13.187 ( 15.600 -2.004 6.662) 17.081 13.272 ( -4.579 14.556 -1.928) 15.380 14.384 ( 14.368 6.672 9.226) 18.332 14.629 ( -2.239 15.858 -17.339) 23.604 15.416 ( -4.410 -9.359 4.878) 11.438 15.509 ( -3.222 -7.453 -5.353) 9.725 16.112 ( -12.157 1.884 2.644) 12.583 16.118 ( 0.367 -8.877 2.115) 9.133 17.596 ( 1.776 -23.675 21.305) 31.899 17.973 ( -16.817 -9.668 -20.729) 28.390 18.655 ( -0.274 11.256 11.212) 15.890 18.841 ( 6.968 11.651 -9.545) 16.596 19.975 ( -2.093 -3.939 8.214) 9.347 20.079 ( -6.730 -3.818 -3.345) 8.430 21.957 ( 7.855 14.291 7.187) 17.821 22.066 ( 7.100 12.331 -4.721) 14.992 23.363 ( 7.125 -6.254 6.768) 11.649 23.532 ( -8.958 -7.937 -12.419) 17.247 ======================= Grid point 599 (197/231) ======================= q-point: (-0.23 0.46 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.260 ( -11.021 3.831 -7.314) 13.771 7.399 ( 5.102 -6.126 8.666) 11.776 8.152 ( -20.198 -8.154 -3.430) 22.050 8.271 ( 0.625 -9.950 19.460) 21.865 8.860 ( -10.702 -5.528 -0.980) 12.085 9.088 ( 14.403 -6.671 0.313) 15.876 10.438 ( 0.722 -0.741 0.609) 1.200 10.560 ( 8.329 -4.234 -12.122) 15.304 11.721 ( 3.680 10.199 4.621) 11.786 11.772 ( 2.932 1.885 -0.492) 3.520 11.981 ( -2.007 4.414 -1.564) 5.095 12.094 ( 1.423 -5.563 -9.194) 10.840 13.343 ( -0.862 15.640 -11.271) 19.297 13.504 ( 16.081 1.713 7.278) 17.734 14.310 ( -42.296 9.551 0.218) 43.361 14.768 ( 14.742 6.987 6.370) 17.514 15.196 ( -6.941 11.302 -1.500) 13.348 15.524 ( 5.321 -9.508 -3.520) 11.450 15.919 ( -1.752 -5.115 4.187) 6.839 16.249 ( 16.929 -19.083 1.018) 25.530 17.443 ( -21.596 -7.151 -23.700) 32.851 17.560 ( 2.991 -19.175 21.622) 29.054 18.795 ( -4.327 8.382 14.556) 17.345 18.974 ( 6.846 5.668 -8.694) 12.433 19.886 ( -6.149 -3.704 1.475) 7.328 20.001 ( 3.737 -10.595 3.519) 11.773 22.106 ( -5.333 11.477 -3.684) 13.180 22.206 ( 2.894 -2.652 7.154) 8.160 23.310 ( -10.023 4.725 -3.779) 11.708 23.556 ( 18.159 2.320 -5.430) 19.095 ======================= Grid point 609 (198/231) ======================= q-point: ( 0.54 0.54 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.760 ( -0.000 5.198 16.643) 17.436 7.310 ( -0.000 21.912 34.898) 41.207 7.479 ( 0.000 22.324 -12.081) 25.383 8.823 ( 0.000 15.201 -32.376) 35.766 9.306 ( 0.000 2.973 -10.621) 11.029 9.414 ( -0.000 -1.504 6.523) 6.694 10.997 ( 0.000 -35.332 -8.360) 36.308 11.032 ( -0.000 -2.425 25.207) 25.324 11.555 ( 0.000 -9.113 -3.448) 9.743 11.697 ( -0.000 -30.129 7.074) 30.948 11.945 ( 0.000 0.491 -1.077) 1.184 12.636 ( -0.000 7.838 7.103) 10.577 12.841 ( -0.000 -9.844 27.926) 29.611 13.281 ( 0.000 -13.561 -18.704) 23.102 13.954 ( 0.000 15.303 -12.548) 19.790 14.386 ( -0.000 -13.579 2.042) 13.732 14.980 ( -0.000 -24.249 5.357) 24.834 15.147 ( 0.000 6.393 -13.669) 15.090 16.545 ( 0.000 8.821 0.704) 8.849 17.589 ( -0.000 -0.610 8.647) 8.669 17.715 ( -0.000 -13.584 12.036) 18.150 18.054 ( 0.000 21.054 -8.045) 22.539 18.304 ( 0.000 14.643 -10.084) 17.780 18.827 ( 0.000 -12.535 -9.854) 15.945 20.128 ( 0.000 6.803 -12.593) 14.313 20.218 ( -0.000 -2.037 19.598) 19.703 21.410 ( 0.000 7.185 -15.217) 16.828 21.592 ( -0.000 27.419 10.649) 29.414 23.348 ( -0.000 -16.384 20.002) 25.855 23.979 ( 0.000 -15.143 -16.339) 22.277 ======================= Grid point 610 (199/231) ======================= q-point: ( 0.62 0.54 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.899 ( 6.322 2.117 6.346) 9.204 7.503 ( -8.986 18.042 9.877) 22.446 7.817 ( 10.129 12.094 16.095) 22.537 8.732 ( -1.421 12.234 -37.410) 39.385 9.282 ( 3.553 3.248 -17.969) 18.602 9.333 ( -7.433 -12.407 6.662) 15.924 10.703 ( -4.065 -15.904 3.848) 16.860 11.000 ( -17.830 -15.554 15.867) 28.488 11.459 ( 1.738 -11.615 1.305) 11.817 11.505 ( 2.943 -3.384 10.819) 11.712 11.988 ( 5.894 -4.183 -1.061) 7.304 12.612 ( -19.575 -2.310 4.763) 20.278 12.819 ( 5.411 -0.817 4.127) 6.854 13.370 ( 16.759 -4.984 6.562) 18.675 13.939 ( -3.238 11.388 -6.982) 13.745 14.367 ( 10.773 -10.470 -2.813) 15.283 14.934 ( 12.916 -15.168 -0.412) 19.926 15.225 ( 11.325 1.500 -6.007) 12.907 16.509 ( -12.685 7.330 -2.536) 14.868 17.317 ( -36.661 10.416 -7.468) 38.837 17.546 ( 0.735 -28.654 25.217) 38.178 18.336 ( -4.396 3.072 -8.726) 10.242 18.428 ( 18.199 14.159 -7.805) 24.343 18.642 ( -0.083 -3.044 -10.082) 10.532 20.049 ( -5.708 2.322 -3.168) 6.929 20.326 ( -0.630 1.081 2.472) 2.771 21.473 ( 10.136 8.696 -7.401) 15.268 21.940 ( 3.805 24.172 7.478) 25.587 23.305 ( -0.518 -15.805 18.362) 24.233 23.739 ( -3.437 -10.792 -12.264) 16.694 ======================= Grid point 611 (200/231) ======================= q-point: ( 0.69 0.54 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.084 ( 10.426 -0.214 5.646) 11.858 7.522 ( -8.395 8.400 0.666) 11.894 8.099 ( 8.970 -3.090 11.853) 15.183 8.561 ( -5.259 5.482 -32.426) 33.304 9.056 ( -7.442 -19.362 1.710) 20.813 9.239 ( -4.286 3.719 -12.368) 13.608 10.579 ( -14.328 -7.669 15.228) 22.271 10.609 ( -10.747 -3.069 5.212) 12.332 11.491 ( 8.548 -2.160 3.383) 9.443 11.693 ( 4.076 8.276 11.074) 14.413 12.007 ( 3.584 -5.756 -6.308) 9.261 12.254 ( -13.034 -10.667 -0.231) 16.844 13.024 ( 9.803 6.493 8.982) 14.796 13.508 ( -4.631 8.849 2.447) 10.283 14.099 ( 21.194 -10.431 -0.137) 23.623 14.524 ( 14.809 4.321 -2.707) 15.662 15.030 ( 12.533 -5.475 -5.528) 14.751 15.432 ( 16.495 -6.685 2.912) 18.035 16.255 ( -22.813 6.106 -7.283) 24.714 16.727 ( -38.514 5.817 -3.047) 39.070 17.468 ( 2.597 -25.638 24.186) 35.341 18.024 ( -14.766 -9.502 -17.292) 24.644 18.694 ( 9.226 4.599 -12.563) 16.251 18.764 ( 8.531 12.495 2.392) 15.317 19.965 ( -3.034 -2.826 -0.967) 4.257 20.220 ( -10.493 0.040 -4.468) 11.405 21.783 ( 18.892 7.232 -0.779) 20.243 22.191 ( 0.607 14.399 0.046) 14.412 23.270 ( 1.531 -12.772 13.681) 18.779 23.562 ( -5.510 1.199 -4.016) 6.922 ======================= Grid point 623 (201/231) ======================= q-point: ( 0.62 0.62 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.897 ( -0.000 4.405 2.547) 5.088 7.727 ( 0.000 2.326 -3.162) 3.926 7.901 ( -0.000 2.190 20.591) 20.707 8.619 ( 0.000 10.715 -40.666) 42.054 9.220 ( 0.000 13.329 -18.111) 22.488 9.227 ( -0.000 -22.909 -0.743) 22.921 10.791 ( -0.000 8.630 19.923) 21.712 11.244 ( -0.000 -8.451 18.426) 20.272 11.330 ( -0.000 -19.491 12.799) 23.318 11.387 ( 0.000 -0.421 -2.434) 2.470 11.908 ( -0.000 -2.140 2.511) 3.299 12.699 ( 0.000 -17.372 -12.344) 21.311 12.990 ( -0.000 -18.998 21.881) 28.977 13.034 ( 0.000 19.201 1.487) 19.258 14.080 ( 0.000 12.506 -10.742) 16.486 14.160 ( -0.000 -8.789 4.140) 9.715 14.690 ( -0.000 -14.198 11.031) 17.980 15.155 ( 0.000 11.245 -14.848) 18.625 16.643 ( 0.000 2.657 -3.516) 4.407 17.416 ( -0.000 -28.674 25.608) 38.444 17.678 ( 0.000 2.006 -18.540) 18.648 18.277 ( 0.000 10.842 -5.796) 12.294 18.426 ( 0.000 9.412 -3.635) 10.089 18.483 ( 0.000 -8.312 -13.861) 16.162 20.121 ( 0.000 10.380 -17.741) 20.555 20.343 ( -0.000 -3.508 9.602) 10.223 21.410 ( 0.000 7.323 -6.365) 9.703 22.150 ( -0.000 15.931 5.562) 16.874 23.269 ( -0.000 -16.643 18.774) 25.089 23.654 ( 0.000 -0.903 -4.327) 4.420 ======================= Grid point 624 (202/231) ======================= q-point: (-0.31 -0.38 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.000 ( 4.927 1.205 6.596) 8.321 7.615 ( -4.094 -6.345 -10.987) 13.332 7.961 ( 3.931 -16.005 7.392) 18.062 8.437 ( -1.958 1.516 -36.920) 37.002 9.004 ( -4.415 -10.887 -0.813) 11.776 9.293 ( -0.048 18.958 -13.388) 23.209 10.884 ( -18.881 -2.194 9.916) 21.439 10.964 ( -18.881 1.238 24.432) 30.902 11.356 ( 11.388 4.577 5.415) 13.415 11.685 ( 14.423 2.862 14.733) 20.816 11.922 ( -0.522 -0.163 -1.084) 1.214 12.301 ( -11.051 -18.781 -3.380) 22.051 13.014 ( 14.678 -18.877 9.472) 25.720 13.309 ( 9.358 2.824 4.327) 10.690 14.003 ( -11.376 8.705 -8.337) 16.574 14.328 ( 16.366 6.559 8.206) 19.447 14.799 ( 12.614 -3.404 7.568) 15.099 15.221 ( 6.664 7.449 -11.103) 14.939 16.529 ( -11.268 0.147 -6.231) 12.877 17.287 ( -28.686 0.642 -14.887) 32.326 17.321 ( 2.318 -27.444 24.077) 36.582 18.086 ( -15.032 -8.768 -11.249) 20.722 18.475 ( 9.185 4.287 -17.313) 20.062 18.686 ( 15.196 9.712 -0.103) 18.035 20.031 ( -7.118 5.134 -12.020) 14.884 20.316 ( -4.933 -1.788 -2.960) 6.024 21.572 ( 13.374 6.970 -0.012) 15.081 22.251 ( 0.402 1.839 -2.644) 3.246 23.220 ( -0.195 -15.814 16.881) 23.132 23.701 ( -2.151 14.499 5.449) 15.638 ======================= Grid point 637 (203/231) ======================= q-point: (-0.31 -0.31 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.976 ( -0.000 -14.944 10.844) 18.464 7.497 ( 0.000 3.537 -21.385) 21.675 7.719 ( -0.000 -34.679 -0.103) 34.679 8.256 ( 0.000 0.173 -30.965) 30.966 8.994 ( 0.000 3.068 -3.120) 4.376 9.430 ( 0.000 24.431 -11.274) 26.907 11.093 ( 0.000 -9.163 -6.619) 11.304 11.229 ( -0.000 0.690 13.177) 13.195 11.551 ( -0.000 -1.072 21.971) 21.997 11.562 ( -0.000 23.971 29.980) 38.385 11.967 ( -0.000 4.474 3.137) 5.464 12.229 ( 0.000 -14.234 -7.495) 16.087 12.415 ( -0.000 -51.833 4.263) 52.008 13.559 ( -0.000 25.660 11.794) 28.240 14.164 ( 0.000 9.808 -9.978) 13.991 14.284 ( -0.000 3.923 11.579) 12.226 14.735 ( -0.000 2.090 16.632) 16.763 15.179 ( 0.000 11.273 -17.204) 20.569 16.547 ( 0.000 -6.444 -6.611) 9.232 17.172 ( -0.000 -29.884 24.078) 38.377 17.378 ( 0.000 -3.436 -25.582) 25.812 18.118 ( 0.000 -10.249 -11.530) 15.426 18.409 ( 0.000 10.182 -11.152) 15.101 18.532 ( 0.000 5.529 -4.629) 7.211 20.067 ( 0.000 8.025 -20.409) 21.930 20.320 ( 0.000 -2.542 -2.465) 3.540 21.532 ( -0.000 6.270 4.429) 7.677 22.197 ( 0.000 -6.961 -4.302) 8.183 23.171 ( -0.000 -16.763 17.004) 23.878 23.952 ( -0.000 24.010 10.969) 26.397 ======================= Grid point 736 (204/231) ======================= q-point: ( 0.31 0.31 0.31) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.178 ( -0.000 0.000 56.380) 56.380 4.178 ( -0.000 0.000 56.380) 56.380 7.273 ( -0.000 0.000 88.435) 88.435 8.698 ( 0.000 -0.000 -43.569) 43.569 8.698 ( 0.000 -0.000 -43.569) 43.569 9.121 ( -0.000 0.000 6.424) 6.424 11.231 ( 0.000 -0.000 -18.724) 18.724 11.798 ( -0.000 0.000 10.211) 10.211 11.798 ( -0.000 0.000 10.211) 10.211 12.476 ( -0.000 0.000 2.131) 2.131 12.476 ( -0.000 0.000 2.131) 2.131 13.934 ( 0.000 -0.000 -41.221) 41.221 14.207 ( -0.000 0.000 23.485) 23.485 14.207 ( -0.000 0.000 23.485) 23.485 14.432 ( -0.000 0.000 19.777) 19.777 14.432 ( -0.000 0.000 19.777) 19.777 14.985 ( -0.000 0.000 9.342) 9.342 16.248 ( 0.000 -0.000 -13.863) 13.863 16.248 ( 0.000 -0.000 -13.863) 13.863 16.354 ( 0.000 -0.000 -15.965) 15.965 16.354 ( 0.000 0.000 -15.965) 15.965 16.704 ( 0.000 -0.000 -25.881) 25.881 19.166 ( -0.000 0.000 7.344) 7.344 19.363 ( -0.000 0.000 22.869) 22.869 19.363 ( -0.000 0.000 22.869) 22.869 19.669 ( 0.000 -0.000 -5.126) 5.126 21.392 ( 0.000 -0.000 -16.964) 16.964 21.392 ( 0.000 -0.000 -16.964) 16.964 23.410 ( -0.000 0.000 25.314) 25.314 25.116 ( 0.000 -0.000 -11.706) 11.706 ======================= Grid point 737 (205/231) ======================= q-point: ( 0.38 0.31 0.31) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.480 ( 4.719 2.725 52.653) 52.934 4.856 ( 23.025 13.294 54.167) 60.340 7.882 ( 9.950 5.745 77.895) 78.738 8.271 ( -4.934 -2.848 -41.257) 41.649 8.657 ( 10.177 5.875 -42.095) 43.704 9.151 ( -1.607 -0.928 6.145) 6.419 11.177 ( 5.049 2.915 -16.126) 17.148 11.622 ( -10.404 -6.007 9.592) 15.373 12.133 ( 12.514 7.225 12.254) 18.946 12.216 ( -12.020 -6.940 1.155) 13.927 12.740 ( 10.143 5.856 0.294) 11.716 13.441 ( -46.655 -26.936 20.004) 57.467 13.595 ( -7.824 -4.517 -38.675) 39.716 14.166 ( -22.628 -13.064 16.917) 31.127 14.561 ( 3.294 1.902 9.703) 10.422 14.994 ( 22.517 13.000 23.794) 35.245 15.161 ( -1.787 -1.032 4.971) 5.382 15.898 ( -15.343 -8.858 -17.793) 25.109 15.993 ( 2.273 1.312 -9.627) 9.979 16.408 ( 0.453 0.262 -14.744) 14.753 16.637 ( 21.223 12.253 -14.047) 28.247 16.789 ( 20.711 11.958 -16.091) 28.824 18.988 ( -13.943 -8.050 14.168) 21.446 19.389 ( -7.240 -4.180 14.634) 16.853 19.675 ( 2.265 1.308 0.752) 2.721 19.710 ( 10.402 6.005 19.676) 23.052 21.240 ( 0.393 0.227 -18.239) 18.244 21.359 ( 2.900 1.674 -17.221) 17.543 23.515 ( -3.848 -2.222 24.251) 24.655 25.006 ( -3.548 -2.049 -13.991) 14.579 ======================= Grid point 738 (206/231) ======================= q-point: ( 0.46 0.31 0.31) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.971 ( 13.214 7.629 45.510) 48.000 5.715 ( 26.275 15.170 51.478) 59.753 8.030 ( 4.032 2.328 -35.367) 35.672 8.475 ( 10.576 6.106 6.587) 13.876 8.748 ( 16.764 9.679 11.681) 22.609 9.103 ( -6.828 -3.942 6.950) 10.511 11.277 ( 12.084 6.977 -10.754) 17.617 11.460 ( -9.699 -5.600 8.468) 14.040 11.994 ( -8.178 -4.722 -1.033) 9.500 12.295 ( -21.515 -12.422 10.080) 26.810 12.660 ( -13.098 -7.562 20.248) 25.273 12.937 ( 0.186 0.107 0.121) 0.246 13.166 ( -11.798 -6.811 -33.923) 36.556 13.743 ( -21.537 -12.435 9.037) 26.460 14.561 ( -2.804 -1.619 -9.882) 10.399 14.963 ( -11.683 -6.745 -1.199) 13.543 15.295 ( -6.790 -3.920 -9.965) 12.679 15.764 ( 8.100 4.676 16.040) 18.567 16.150 ( 10.755 6.210 -2.112) 12.598 16.225 ( -5.708 -3.296 -7.681) 10.122 17.045 ( 21.612 12.478 -7.431) 26.039 17.236 ( 23.834 13.761 -5.170) 28.003 18.787 ( -13.343 -7.704 16.898) 22.867 19.247 ( -10.027 -5.789 2.736) 11.897 19.707 ( -2.875 -1.660 5.786) 6.671 19.997 ( 5.660 3.268 19.072) 20.161 21.247 ( 10.895 6.290 -16.104) 20.436 21.334 ( 4.539 2.620 -17.401) 18.173 23.538 ( -6.352 -3.667 21.782) 22.984 24.789 ( -8.156 -4.709 -16.973) 19.410 ======================= Grid point 739 (207/231) ======================= q-point: ( 0.54 0.31 0.31) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.558 ( 18.211 10.514 37.113) 42.656 6.547 ( 22.846 13.190 49.694) 56.262 8.025 ( 12.572 7.258 -29.235) 32.641 8.514 ( 7.203 4.159 -32.139) 33.198 8.929 ( -13.926 -8.040 10.243) 19.066 9.327 ( 16.686 9.633 25.660) 32.088 11.312 ( -8.385 -4.841 8.485) 12.874 11.511 ( -12.425 -7.174 -7.937) 16.397 11.641 ( -5.634 -3.253 19.636) 20.685 11.863 ( -2.639 -1.524 -4.665) 5.572 12.662 ( -16.258 -9.387 14.772) 23.889 12.701 ( -14.155 -8.172 -27.663) 32.131 12.844 ( -2.028 -1.171 -4.029) 4.660 13.511 ( -1.691 -0.976 4.374) 4.790 14.351 ( -5.350 -3.089 -28.098) 28.769 14.787 ( -3.751 -2.166 1.637) 4.631 14.990 ( -12.000 -6.928 -14.122) 19.785 15.639 ( -18.649 -10.767 -4.184) 21.937 16.343 ( 7.523 4.343 -0.273) 8.691 16.475 ( 15.483 8.939 28.068) 33.278 17.449 ( 17.822 10.290 -0.059) 20.580 17.697 ( 19.817 11.441 0.535) 22.889 18.611 ( -12.413 -7.167 16.860) 22.130 18.985 ( -13.499 -7.794 -8.872) 17.936 19.624 ( -6.970 -4.024 9.101) 12.149 20.182 ( 1.699 0.981 17.467) 17.576 21.350 ( 6.264 3.616 -16.576) 18.085 21.516 ( 20.349 11.749 -11.139) 26.004 23.514 ( -6.209 -3.585 17.520) 18.930 24.461 ( -12.168 -7.025 -19.201) 23.793 ======================= Grid point 740 (208/231) ======================= q-point: ( 0.62 0.31 0.31) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.172 ( 20.516 11.845 28.175) 36.810 7.273 ( 18.072 10.434 46.825) 51.265 8.117 ( 5.100 2.944 -26.246) 26.899 8.446 ( 2.312 1.335 -27.645) 27.774 8.716 ( -7.751 -4.475 17.798) 19.922 9.545 ( -8.362 -4.828 6.523) 11.653 11.053 ( -7.965 -4.599 -0.331) 9.204 11.214 ( -5.717 -3.301 9.930) 11.924 11.808 ( 1.193 0.689 -11.268) 11.351 11.930 ( -3.561 -2.056 -2.693) 4.915 12.254 ( -13.529 -7.811 -19.613) 25.074 12.407 ( 4.678 2.701 12.306) 13.440 12.758 ( -6.793 -3.922 3.386) 8.543 13.641 ( 8.606 4.969 5.578) 11.396 14.010 ( -11.106 -6.412 -33.178) 35.570 14.609 ( -15.177 -8.763 -12.263) 21.390 14.812 ( 3.441 1.987 4.353) 5.894 15.206 ( -16.266 -9.391 -6.357) 19.829 16.473 ( 4.020 2.321 2.796) 5.419 16.936 ( 9.572 5.526 31.041) 32.950 17.808 ( 14.063 8.119 5.737) 17.222 18.077 ( 14.376 8.300 2.648) 16.810 18.446 ( -11.637 -6.719 14.398) 19.694 18.532 ( -20.847 -12.036 -18.777) 30.530 19.607 ( -0.176 -0.101 15.092) 15.094 20.284 ( -0.895 -0.517 14.657) 14.693 21.399 ( 6.566 3.791 -14.296) 16.182 21.911 ( 19.032 10.988 -5.695) 22.702 23.508 ( -1.031 -0.595 10.111) 10.181 24.052 ( -14.747 -8.514 -20.123) 26.361 ======================= Grid point 741 (209/231) ======================= q-point: ( 0.69 0.31 0.31) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.749 ( 19.960 11.524 16.187) 28.164 7.795 ( -20.970 -12.107 -7.040) 25.217 7.871 ( 12.892 7.443 41.200) 43.807 8.234 ( -11.979 -6.916 -15.023) 20.421 8.944 ( 16.432 9.487 11.919) 22.407 9.191 ( -19.357 -11.176 2.587) 22.501 11.138 ( 14.759 8.521 -15.496) 23.034 11.171 ( -4.784 -2.762 10.717) 12.057 11.594 ( -11.011 -6.357 -15.133) 19.765 11.720 ( -0.992 -0.573 -24.810) 24.837 11.968 ( -4.135 -2.387 -4.637) 6.656 12.463 ( -13.113 -7.571 10.113) 18.208 13.034 ( 27.357 15.795 2.870) 31.719 13.372 ( -33.927 -19.588 -19.698) 43.849 13.891 ( 10.246 5.916 9.084) 14.916 14.327 ( -2.105 -1.215 -15.220) 15.413 14.894 ( -7.988 -4.612 -11.618) 14.834 14.950 ( 5.700 3.291 8.149) 10.475 16.552 ( 0.683 0.394 6.098) 6.149 17.234 ( 1.878 1.084 28.736) 28.817 17.884 ( -25.522 -14.735 -24.845) 38.546 18.121 ( 9.885 5.707 11.686) 16.336 18.282 ( -9.697 -5.599 9.417) 14.630 18.358 ( 8.778 5.068 4.847) 11.236 19.790 ( 6.731 3.886 19.205) 20.718 20.325 ( -1.958 -1.131 10.292) 10.537 21.459 ( 5.843 3.374 -10.540) 12.515 22.185 ( 6.462 3.731 1.117) 7.545 23.606 ( -15.559 -8.983 -19.413) 26.451 23.634 ( 11.019 6.362 -1.319) 12.792 ======================= Grid point 750 (210/231) ======================= q-point: ( 0.38 0.38 0.31) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.885 ( -0.000 13.754 51.605) 53.407 5.107 ( -0.000 19.804 53.968) 57.487 7.949 ( 0.000 -10.735 -39.385) 40.822 8.339 ( -0.000 8.143 67.284) 67.775 8.433 ( 0.000 15.954 -42.410) 45.311 9.214 ( -0.000 1.096 6.803) 6.890 11.067 ( 0.000 1.432 -11.072) 11.164 11.714 ( -0.000 -8.613 10.368) 13.479 12.180 ( -0.000 11.262 11.822) 16.328 12.225 ( -0.000 -13.643 0.048) 13.643 12.722 ( 0.000 8.997 -1.695) 9.155 13.360 ( 0.000 -4.859 -39.130) 39.431 13.800 ( -0.000 -40.564 17.520) 44.185 14.138 ( -0.000 -35.358 18.879) 40.083 14.356 ( -0.000 -17.260 3.777) 17.669 14.891 ( -0.000 1.317 13.566) 13.630 15.498 ( -0.000 14.463 14.646) 20.583 15.792 ( 0.000 -12.960 -9.273) 15.935 16.166 ( 0.000 24.271 -11.035) 26.662 16.167 ( 0.000 -2.565 -19.035) 19.207 16.562 ( 0.000 30.498 -12.731) 33.049 16.742 ( 0.000 27.217 -18.733) 33.041 18.981 ( -0.000 -23.713 13.946) 27.509 19.526 ( -0.000 -6.057 0.314) 6.065 19.754 ( -0.000 4.762 20.039) 20.597 19.793 ( -0.000 13.841 17.035) 21.949 21.057 ( 0.000 -7.372 -19.286) 20.647 21.295 ( 0.000 7.180 -18.338) 19.694 23.652 ( -0.000 -5.594 23.857) 24.504 24.923 ( 0.000 -4.520 -14.789) 15.464 ======================= Grid point 751 (211/231) ======================= q-point: ( 0.46 0.38 0.31) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.291 ( -1.895 19.165 47.091) 50.877 5.815 ( 19.525 21.329 51.191) 58.794 7.672 ( 6.818 -5.948 -40.659) 41.654 8.364 ( 1.951 17.469 -38.823) 42.617 8.857 ( 8.597 8.323 51.258) 52.637 9.230 ( -4.490 0.218 7.395) 8.654 11.094 ( 7.351 0.430 -1.929) 7.612 11.638 ( -7.801 -2.190 8.028) 11.406 12.037 ( -6.338 -10.485 -1.432) 12.335 12.391 ( 6.188 2.281 6.859) 9.515 12.723 ( -3.406 -13.957 -8.657) 16.773 13.048 ( -17.561 -17.189 0.004) 24.573 13.212 ( -16.811 -3.010 -7.921) 18.826 13.819 ( -9.381 -32.285 4.216) 33.884 14.392 ( 14.831 -23.257 0.984) 27.601 14.809 ( -10.489 -13.506 -4.148) 17.596 15.647 ( 10.925 0.846 13.986) 17.767 15.734 ( -10.708 3.607 -6.197) 12.886 15.918 ( 4.312 1.638 -6.010) 7.575 16.408 ( -12.992 18.321 -7.327) 23.625 16.861 ( 16.669 32.038 -7.805) 36.948 17.123 ( 16.269 32.295 -10.400) 37.628 18.820 ( -2.185 -24.471 15.904) 29.267 19.369 ( -8.740 -7.218 -3.624) 11.901 19.869 ( -5.600 6.084 17.521) 19.374 20.069 ( 4.953 6.491 17.770) 19.556 20.952 ( 8.703 -3.620 -17.405) 19.794 21.271 ( 1.870 9.256 -18.440) 20.717 23.695 ( -3.499 -8.031 22.352) 24.007 24.738 ( -4.563 -7.379 -16.821) 18.926 ======================= Grid point 752 (212/231) ======================= q-point: ( 0.54 0.38 0.31) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.753 ( 4.107 20.178 40.264) 45.224 6.634 ( 20.724 18.309 49.054) 56.312 7.600 ( 16.083 -1.342 -35.390) 38.897 8.349 ( 2.960 18.390 -36.727) 41.180 9.144 ( -10.861 -2.805 9.971) 15.008 9.328 ( 11.447 6.676 24.028) 27.439 11.252 ( 8.978 -6.006 7.803) 13.325 11.574 ( -5.609 6.622 4.037) 9.571 11.850 ( -4.211 -6.807 -4.723) 9.294 12.066 ( -34.289 -24.346 16.262) 45.088 12.404 ( 2.513 -20.999 -20.569) 29.502 12.758 ( -4.459 -19.822 9.682) 22.506 13.095 ( -12.076 16.405 -8.878) 22.221 13.470 ( -1.413 -15.812 -0.465) 15.882 14.344 ( -3.682 -4.202 -12.479) 13.673 14.446 ( 1.439 -23.261 -8.636) 24.854 15.454 ( -25.482 16.928 -5.824) 31.142 15.924 ( -7.926 -1.553 -7.992) 11.362 16.022 ( 15.891 -5.312 13.496) 21.514 16.371 ( 10.510 0.097 7.453) 12.885 17.392 ( 13.869 28.617 1.342) 31.829 17.620 ( 14.100 28.651 -4.321) 32.223 18.657 ( -2.260 -23.010 16.204) 28.233 19.075 ( -13.175 -9.869 -9.790) 19.152 19.865 ( -11.970 5.475 12.973) 18.481 20.254 ( 2.577 -0.406 14.537) 14.769 21.081 ( 15.782 3.146 -11.148) 19.577 21.350 ( 8.717 14.265 -16.070) 23.189 23.664 ( -5.572 -9.054 19.669) 22.358 24.443 ( -8.906 -9.696 -18.675) 22.849 ======================= Grid point 753 (213/231) ======================= q-point: ( 0.62 0.38 0.31) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.257 ( 8.631 19.070 31.941) 38.189 7.362 ( 17.521 10.118 43.900) 48.338 7.718 ( 19.810 1.955 -26.701) 33.304 8.349 ( 1.193 16.985 -33.869) 37.908 8.967 ( -13.979 -3.797 15.865) 21.483 9.576 ( 3.799 -1.265 2.400) 4.668 11.151 ( -15.250 -17.812 -0.884) 23.465 11.368 ( -11.078 -4.430 10.672) 16.007 11.704 ( -1.897 -9.191 -15.253) 17.909 11.835 ( 0.861 -13.079 5.947) 14.394 12.181 ( 5.638 -2.247 -1.589) 6.274 12.465 ( -9.116 -13.929 -1.008) 16.677 12.953 ( -14.134 3.074 1.223) 14.516 13.484 ( 11.034 -6.790 2.622) 13.218 14.067 ( -12.805 12.505 -27.764) 33.033 14.402 ( 10.590 -16.078 -0.497) 19.259 15.156 ( -25.687 13.279 -3.341) 29.108 15.557 ( -28.390 7.306 -4.988) 29.736 16.258 ( 17.119 -11.746 4.702) 21.287 16.740 ( 25.625 -13.140 19.107) 34.560 17.832 ( 7.728 21.807 8.029) 24.489 18.026 ( 9.692 18.840 -0.229) 21.188 18.515 ( -3.212 -16.866 11.646) 20.746 18.643 ( -17.440 -11.570 -15.027) 25.765 19.805 ( -9.515 6.374 12.492) 16.947 20.328 ( 1.666 -5.427 9.654) 11.199 21.282 ( 7.522 10.304 -7.851) 14.980 21.658 ( 20.232 14.908 -10.067) 27.073 23.597 ( -4.901 -8.002 15.155) 17.825 24.062 ( -12.072 -10.875 -19.590) 25.451 ======================= Grid point 754 (214/231) ======================= q-point: ( 0.69 0.38 0.31) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.736 ( 10.211 15.999 19.652) 27.321 7.716 ( 8.913 -8.904 -8.983) 15.474 8.035 ( 10.038 10.555 33.302) 36.348 8.237 ( -6.502 5.472 -24.373) 25.812 8.953 ( 1.529 5.580 17.972) 18.880 9.390 ( -16.469 -14.788 0.599) 22.142 10.871 ( 4.278 -6.275 -12.074) 14.264 11.268 ( -2.097 -19.281 -5.376) 20.126 11.382 ( -6.458 -7.706 -4.448) 10.994 11.741 ( -0.596 0.982 -10.416) 10.479 12.044 ( -11.627 -2.185 -6.734) 13.613 12.537 ( 3.181 -14.147 9.098) 17.118 12.853 ( 5.875 11.524 0.990) 12.973 13.587 ( 0.766 -2.001 -9.552) 9.789 13.875 ( -9.890 12.848 -5.880) 17.247 14.362 ( -5.182 -0.760 -3.057) 6.064 14.900 ( -10.418 1.637 1.377) 10.635 15.225 ( -19.278 13.866 -3.944) 24.072 16.429 ( 12.871 -10.559 5.980) 17.689 17.087 ( 21.753 -19.752 18.739) 34.849 17.964 ( -16.284 -10.420 -18.631) 26.849 18.167 ( -3.641 -8.059 6.081) 10.733 18.267 ( 1.975 11.872 10.332) 15.862 18.526 ( -0.422 9.218 4.740) 10.374 19.862 ( 0.513 4.398 14.253) 14.925 20.335 ( 1.550 -7.270 5.115) 9.024 21.437 ( 1.995 14.563 -4.227) 15.295 22.052 ( 16.386 10.160 -4.301) 19.754 23.569 ( 1.266 -3.263 6.785) 7.635 23.637 ( -13.593 -10.473 -19.058) 25.645 ======================= Grid point 764 (215/231) ======================= q-point: ( 0.46 0.46 0.31) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.829 ( -0.000 24.644 44.337) 50.725 6.138 ( -0.000 24.101 49.411) 54.976 7.318 ( 0.000 -3.091 -41.153) 41.269 8.298 ( 0.000 21.947 -40.948) 46.459 9.121 ( -0.000 4.412 36.530) 36.795 9.321 ( -0.000 1.204 7.869) 7.961 11.054 ( -0.000 -1.526 11.061) 11.166 11.731 ( -0.000 -0.391 6.153) 6.165 11.978 ( -0.000 -11.370 -1.126) 11.426 12.273 ( 0.000 -10.722 -14.914) 18.368 12.624 ( -0.000 -7.093 1.696) 7.293 13.023 ( -0.000 -28.208 -4.990) 28.646 13.285 ( 0.000 -0.721 -0.707) 1.010 13.673 ( -0.000 -36.048 18.873) 40.689 13.935 ( 0.000 -15.757 -15.054) 21.792 14.855 ( -0.000 -12.103 4.536) 12.925 15.418 ( 0.000 -14.588 -11.783) 18.752 15.602 ( -0.000 -8.311 7.661) 11.303 16.135 ( 0.000 11.168 -2.707) 11.491 16.776 ( 0.000 30.670 0.761) 30.679 17.105 ( 0.000 30.860 -12.917) 33.455 17.130 ( 0.000 44.361 -9.921) 45.457 18.686 ( -0.000 -27.428 17.748) 32.670 19.329 ( 0.000 -10.308 -5.864) 11.859 20.095 ( -0.000 2.053 23.937) 24.024 20.159 ( -0.000 3.505 7.640) 8.405 20.788 ( 0.000 6.104 -11.620) 13.126 21.219 ( 0.000 8.358 -19.042) 20.796 23.764 ( -0.000 -11.215 21.901) 24.606 24.592 ( 0.000 -10.187 -17.669) 20.395 ======================= Grid point 765 (216/231) ======================= q-point: ( 0.54 0.46 0.31) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.234 ( -5.960 24.857 39.935) 47.415 6.799 ( 15.274 20.176 44.425) 51.127 7.167 ( 10.517 3.780 -35.502) 37.220 8.281 ( 1.572 22.843 -40.390) 46.429 9.327 ( -2.489 -0.008 11.540) 11.806 9.343 ( 1.785 0.877 10.702) 10.885 11.174 ( 4.534 -4.301 20.568) 21.496 11.713 ( -3.831 -0.246 -3.089) 4.928 11.839 ( -5.891 -7.636 2.740) 10.026 12.029 ( 2.122 -23.108 -18.108) 29.435 12.425 ( -23.736 -26.105 12.799) 37.532 12.623 ( -0.324 -18.716 -0.434) 18.724 13.290 ( -2.293 -9.771 -0.058) 10.036 13.400 ( -8.474 8.221 -6.046) 13.264 13.914 ( 17.543 -23.537 -1.100) 29.376 14.557 ( -17.930 -5.807 -7.143) 20.155 15.448 ( 21.537 -15.265 -3.567) 26.638 15.689 ( 12.100 -10.062 5.669) 16.727 16.111 ( -10.698 12.128 2.198) 16.321 16.714 ( -28.400 21.755 -7.241) 36.500 17.481 ( 12.658 32.563 0.268) 34.937 17.642 ( 14.720 33.523 -9.311) 37.778 18.538 ( -0.101 -26.640 18.722) 32.560 19.101 ( -9.726 -12.213 -9.133) 18.087 20.156 ( -5.141 -3.390 14.181) 15.460 20.226 ( 2.509 0.635 2.596) 3.666 20.932 ( 6.904 16.091 1.055) 17.541 21.248 ( 6.708 11.415 -16.881) 21.454 23.751 ( -3.068 -12.924 20.546) 24.466 24.341 ( -4.685 -12.249 -18.554) 22.721 ======================= Grid point 766 (217/231) ======================= q-point: ( 0.62 0.46 0.31) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.608 ( -2.356 22.891 33.588) 40.715 7.162 ( 16.900 1.340 -23.080) 28.638 7.564 ( 16.397 18.349 35.033) 42.812 8.281 ( 2.061 20.057 -39.161) 44.047 9.250 ( -11.719 -0.170 13.996) 18.255 9.449 ( 7.150 -3.690 -5.784) 9.909 11.217 ( -8.862 -14.214 12.141) 20.687 11.459 ( -6.906 -25.989 -13.253) 29.979 11.625 ( -14.307 -10.748 6.185) 18.933 11.735 ( -1.179 -13.766 -4.109) 14.415 12.148 ( 1.930 -2.098 16.517) 16.761 12.421 ( -6.395 -8.857 -8.884) 14.081 13.228 ( 8.708 -11.978 1.143) 14.853 13.253 ( -16.578 5.475 -4.179) 17.952 14.060 ( 18.255 -9.716 5.415) 21.377 14.258 ( -11.842 10.719 -16.349) 22.856 15.632 ( 2.234 -4.976 1.642) 5.696 15.681 ( 0.530 -2.682 -3.517) 4.455 16.204 ( 7.995 -4.417 10.869) 14.197 16.357 ( -19.250 6.338 -5.850) 21.094 17.954 ( 9.391 22.757 5.879) 25.311 18.044 ( 8.854 16.351 -3.033) 18.840 18.439 ( 2.596 -15.634 13.924) 21.096 18.704 ( -15.399 -11.981 -14.491) 24.303 20.101 ( -9.524 1.242 11.611) 15.068 20.238 ( 2.792 -5.620 -3.160) 7.026 21.272 ( 10.321 18.854 6.169) 22.362 21.451 ( 13.409 15.633 -12.818) 24.259 23.678 ( -4.733 -12.947 18.126) 22.773 24.005 ( -8.531 -12.782 -18.693) 24.199 ======================= Grid point 767 (218/231) ======================= q-point: ( 0.69 0.46 0.31) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.950 ( -1.243 18.824 20.870) 28.133 7.335 ( 19.155 -0.675 -18.538) 26.665 8.149 ( 12.604 9.907 35.910) 39.326 8.228 ( -1.664 12.426 -32.107) 34.468 9.169 ( -8.899 1.247 17.909) 20.037 9.390 ( -1.833 -11.561 -9.946) 15.361 10.802 ( -14.631 -17.773 0.148) 23.021 10.984 ( -6.321 -32.108 -11.834) 34.799 11.520 ( -5.167 2.581 8.211) 10.039 11.656 ( 2.963 -2.297 -7.443) 8.334 12.166 ( -10.565 -1.405 -5.464) 11.977 12.328 ( 8.996 -9.711 4.649) 14.030 13.028 ( -12.373 7.945 -0.707) 14.721 13.331 ( 14.604 -9.279 0.937) 17.328 14.165 ( -7.966 21.266 -15.158) 27.303 14.335 ( 11.869 2.911 9.690) 15.596 15.324 ( -30.185 8.669 -1.100) 31.425 15.657 ( -14.257 4.459 -4.999) 15.752 16.112 ( 6.442 -8.841 6.499) 12.724 16.524 ( 27.764 -23.970 6.375) 37.229 18.035 ( -14.419 -8.586 -11.620) 20.412 18.119 ( -1.743 -16.455 7.991) 18.375 18.461 ( 0.874 16.009 6.358) 17.248 18.567 ( 7.221 9.199 -0.650) 11.712 20.023 ( -8.220 2.293 6.458) 10.702 20.213 ( 4.913 -9.716 -0.262) 10.891 21.589 ( 1.162 22.642 3.005) 22.870 21.824 ( 20.763 13.508 -6.194) 25.533 23.589 ( -3.574 -10.650 13.466) 17.537 23.626 ( -10.907 -10.913 -17.340) 23.211 ======================= Grid point 778 (219/231) ======================= q-point: ( 0.54 0.54 0.31) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.689 ( -0.000 11.187 13.300) 17.380 6.991 ( 0.000 20.610 -12.045) 23.872 7.126 ( -0.000 22.120 42.752) 48.136 8.237 ( 0.000 23.004 -42.897) 48.676 9.301 ( 0.000 -4.915 -1.936) 5.283 9.455 ( -0.000 1.978 10.282) 10.471 11.250 ( -0.000 -4.153 26.597) 26.920 11.628 ( 0.000 -32.862 -13.934) 35.695 11.665 ( 0.000 -7.308 -7.509) 10.478 11.945 ( -0.000 1.288 10.316) 10.396 12.317 ( -0.000 -32.376 -1.016) 32.392 12.578 ( -0.000 -2.934 1.214) 3.175 13.337 ( -0.000 -24.922 25.140) 35.400 13.370 ( 0.000 -3.391 -14.543) 14.933 13.600 ( 0.000 8.904 -11.627) 14.645 14.662 ( -0.000 -13.597 4.894) 14.451 15.068 ( 0.000 -5.822 -12.062) 13.394 15.428 ( -0.000 -19.103 6.157) 20.070 16.356 ( 0.000 11.448 0.538) 11.461 17.233 ( 0.000 23.286 -7.762) 24.546 17.545 ( 0.000 27.998 -7.526) 28.992 17.766 ( 0.000 30.898 -7.462) 31.786 18.404 ( -0.000 -27.032 21.044) 34.258 19.024 ( 0.000 -13.270 -8.088) 15.541 20.045 ( 0.000 -5.007 -10.756) 11.864 20.357 ( -0.000 -1.278 17.588) 17.635 21.139 ( -0.000 26.361 8.230) 27.615 21.171 ( 0.000 9.028 -14.861) 17.388 23.765 ( -0.000 -15.144 20.427) 25.429 24.148 ( 0.000 -13.750 -18.199) 22.810 ======================= Grid point 779 (220/231) ======================= q-point: ( 0.62 0.54 0.31) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.772 ( 10.222 6.775 -19.748) 23.246 7.180 ( -10.231 24.320 22.716) 34.816 7.707 ( 13.667 17.055 36.810) 42.809 8.194 ( 1.432 19.900 -43.290) 47.666 9.237 ( 4.854 -7.213 -12.866) 15.528 9.482 ( -6.361 0.880 11.074) 12.801 11.198 ( -5.171 -33.511 -7.180) 34.659 11.331 ( -5.506 -8.066 20.865) 23.037 11.568 ( 2.312 -8.343 -7.462) 11.429 11.808 ( -15.421 -14.875 5.551) 22.133 12.132 ( 3.789 -10.504 9.531) 14.681 12.509 ( -8.923 5.597 -5.061) 11.686 13.021 ( -2.018 -13.968 -1.354) 14.178 13.509 ( -6.655 -1.353 -0.789) 6.837 13.714 ( 19.284 3.190 7.301) 20.865 14.435 ( -10.868 -0.818 -4.234) 11.692 15.153 ( 18.606 -12.668 -2.760) 22.678 15.462 ( 20.441 -19.663 5.437) 28.880 16.323 ( -14.656 10.355 -2.301) 18.092 17.000 ( -33.101 18.034 -10.059) 39.014 17.978 ( 15.003 17.945 -4.756) 23.869 18.024 ( 7.195 16.338 -0.866) 17.873 18.312 ( 3.514 -18.275 15.348) 24.123 18.744 ( -11.280 -11.939 -10.748) 19.629 20.007 ( 6.357 -3.777 -9.264) 11.853 20.361 ( -7.560 -0.494 6.449) 9.949 21.256 ( 9.266 10.950 -4.307) 14.977 21.493 ( 4.166 26.992 6.799) 28.145 23.716 ( -2.636 -15.802 19.498) 25.235 23.881 ( -4.313 -13.063 -16.870) 21.768 ======================= Grid point 792 (221/231) ======================= q-point: (-0.38 -0.38 -0.69) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.645 ( 0.000 13.130 -23.109) 26.579 7.648 ( -0.000 15.880 24.545) 29.234 7.909 ( -0.000 12.164 31.940) 34.177 8.096 ( 0.000 18.102 -44.763) 48.285 9.038 ( 0.000 -5.809 -17.757) 18.683 9.562 ( -0.000 -7.483 4.975) 8.986 10.965 ( -0.000 -21.116 4.283) 21.546 11.395 ( 0.000 -4.046 -7.548) 8.564 11.498 ( -0.000 -5.953 20.404) 21.255 11.837 ( -0.000 -25.071 7.777) 26.250 12.016 ( -0.000 -6.495 8.047) 10.341 12.637 ( 0.000 16.551 -8.429) 18.574 12.944 ( 0.000 -15.551 -16.874) 22.947 13.399 ( -0.000 -9.734 34.173) 35.532 13.758 ( 0.000 14.092 -8.665) 16.543 14.453 ( -0.000 -16.641 5.863) 17.643 14.937 ( 0.000 4.538 -9.617) 10.634 15.088 ( -0.000 -22.155 6.598) 23.117 16.526 ( 0.000 7.339 -2.583) 7.781 17.410 ( 0.000 12.508 -20.769) 24.245 17.917 ( 0.000 20.276 -6.904) 21.419 18.053 ( -0.000 -6.094 11.430) 12.953 18.228 ( -0.000 -4.770 7.773) 9.120 18.659 ( 0.000 -14.102 -10.034) 17.307 19.878 ( 0.000 3.669 -15.108) 15.548 20.433 ( -0.000 -2.704 1.540) 3.112 21.243 ( 0.000 8.624 -0.223) 8.627 21.776 ( -0.000 27.147 9.433) 28.739 23.700 ( -0.000 -17.028 19.755) 26.081 23.715 ( 0.000 -9.913 -13.301) 16.588 ======================= Grid point 920 (222/231) ======================= q-point: ( 0.38 0.38 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.162 ( -0.000 0.000 54.590) 54.590 5.162 ( -0.000 0.000 54.590) 54.590 7.890 ( 0.000 -0.000 -47.320) 47.320 7.890 ( 0.000 -0.000 -47.320) 47.320 8.677 ( -0.000 0.000 66.321) 66.321 9.265 ( -0.000 0.000 9.575) 9.575 10.991 ( 0.000 -0.000 -4.562) 4.562 12.012 ( -0.000 0.000 13.107) 13.107 12.012 ( -0.000 0.000 13.107) 13.107 12.482 ( -0.000 -0.000 -1.836) 1.836 12.482 ( 0.000 0.000 -1.836) 1.836 13.119 ( 0.000 -0.000 -50.515) 50.515 14.594 ( -0.000 0.000 19.954) 19.954 14.594 ( -0.000 0.000 19.954) 19.954 14.762 ( -0.000 0.000 16.800) 16.800 14.762 ( -0.000 0.000 16.800) 16.800 15.183 ( -0.000 0.000 13.151) 13.151 15.988 ( 0.000 -0.000 -14.944) 14.944 15.988 ( 0.000 -0.000 -14.944) 14.944 16.065 ( 0.000 -0.000 -15.947) 15.947 16.065 ( 0.000 -0.000 -15.947) 15.947 16.240 ( 0.000 -0.000 -25.674) 25.674 19.294 ( -0.000 0.000 6.957) 6.957 19.587 ( 0.000 -0.000 -4.371) 4.371 19.792 ( -0.000 0.000 25.106) 25.106 19.792 ( -0.000 0.000 25.106) 25.106 21.060 ( 0.000 -0.000 -20.446) 20.446 21.060 ( 0.000 -0.000 -20.446) 20.446 23.845 ( -0.000 0.000 23.560) 23.560 24.880 ( 0.000 -0.000 -14.889) 14.889 ======================= Grid point 921 (223/231) ======================= q-point: ( 0.46 0.38 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.402 ( 0.664 0.384 51.233) 51.239 5.808 ( 20.980 12.113 53.107) 58.371 7.496 ( -0.410 -0.237 -45.609) 45.612 7.840 ( 11.503 6.641 -47.237) 49.069 9.067 ( 3.903 2.253 47.930) 48.141 9.303 ( -2.258 -1.304 10.005) 10.339 11.051 ( 5.362 3.096 7.166) 9.470 11.811 ( -12.502 -7.218 10.787) 18.021 12.197 ( -12.171 -7.027 -3.648) 14.520 12.361 ( 11.731 6.773 12.674) 18.551 12.720 ( 10.509 6.067 -2.780) 12.449 12.807 ( -1.313 -0.758 -48.590) 48.614 13.786 ( -46.737 -26.984 18.708) 57.118 14.386 ( -27.207 -15.708 6.509) 32.083 14.716 ( -11.605 -6.700 6.280) 14.798 15.245 ( -10.500 -6.062 5.544) 13.332 15.266 ( 6.886 3.976 0.629) 7.976 15.719 ( 4.213 2.432 4.670) 6.743 15.901 ( 9.995 5.770 -0.580) 11.555 16.122 ( 1.676 0.968 -16.263) 16.378 16.386 ( 26.050 15.040 -13.145) 32.827 16.523 ( 30.759 17.759 -14.388) 38.321 19.202 ( -9.808 -5.663 10.067) 15.153 19.464 ( -8.655 -4.997 -3.460) 10.576 19.892 ( -1.575 -0.909 20.312) 20.393 20.099 ( 8.146 4.703 23.575) 25.382 20.894 ( 1.858 1.073 -20.470) 20.582 21.022 ( 3.796 2.192 -20.650) 21.110 23.929 ( -4.713 -2.721 22.417) 23.068 24.737 ( -4.855 -2.803 -16.491) 17.418 ======================= Grid point 922 (224/231) ======================= q-point: ( 0.54 0.38 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.775 ( 7.086 4.091 45.001) 45.739 6.620 ( 24.738 14.283 50.497) 58.017 7.351 ( 10.681 6.167 -40.447) 42.285 7.830 ( 12.911 7.454 -44.684) 47.105 9.271 ( -6.592 -3.806 10.444) 12.923 9.382 ( 5.794 3.345 21.905) 22.904 11.304 ( 10.303 5.949 17.031) 20.775 11.613 ( -10.611 -6.127 7.478) 14.354 11.933 ( -9.348 -5.397 -6.737) 12.724 12.497 ( -16.708 -9.646 12.263) 22.860 12.501 ( -2.917 -1.684 -38.777) 38.923 12.839 ( 0.058 0.034 -1.186) 1.187 13.094 ( -17.084 -9.864 17.800) 26.571 13.794 ( -24.752 -14.291 -2.801) 28.718 14.329 ( -18.592 -10.734 -16.217) 26.905 15.010 ( -11.687 -6.747 6.957) 15.183 15.077 ( -10.076 -5.817 -10.603) 15.742 15.878 ( -8.556 -4.940 -6.200) 11.664 16.142 ( 10.637 6.141 0.390) 12.289 16.334 ( 23.427 13.525 19.305) 33.233 16.929 ( 27.287 15.754 -4.357) 31.809 17.136 ( 29.993 17.316 -5.831) 35.120 19.038 ( -11.233 -6.485 11.624) 17.417 19.185 ( -14.118 -8.151 -8.521) 18.395 19.904 ( -6.947 -4.011 14.450) 16.527 20.355 ( 3.015 1.741 19.809) 20.113 20.964 ( 15.021 8.672 -15.325) 23.145 21.009 ( 6.377 3.682 -18.174) 19.609 23.914 ( -8.297 -4.790 20.563) 22.685 24.477 ( -9.576 -5.529 -18.320) 21.399 ======================= Grid point 923 (225/231) ======================= q-point: ( 0.62 0.38 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.217 ( 10.965 6.331 36.599) 38.727 7.418 ( 21.566 12.451 48.183) 54.238 7.454 ( 18.185 10.499 -34.105) 40.051 7.862 ( 13.119 7.574 -39.800) 42.585 9.146 ( -10.633 -6.139 12.538) 17.548 9.569 ( 4.985 2.878 1.115) 5.863 11.453 ( -14.747 -8.514 4.235) 17.548 11.463 ( -7.046 -4.068 7.042) 10.760 11.712 ( -5.953 -3.437 -13.451) 15.106 12.074 ( -11.880 -6.859 23.840) 27.506 12.229 ( -5.213 -3.010 -23.111) 23.882 12.646 ( -15.448 -8.919 -6.713) 19.060 13.059 ( -6.132 -3.540 18.617) 19.919 13.533 ( 3.194 1.844 -0.310) 3.701 13.827 ( -14.135 -8.161 -29.613) 33.813 14.785 ( -11.950 -6.899 -9.110) 16.534 14.880 ( -4.038 -2.332 8.495) 9.690 15.539 ( -17.857 -10.310 -6.239) 21.542 16.353 ( 8.690 5.017 0.830) 10.069 16.948 ( 19.651 11.345 23.183) 32.440 17.461 ( 22.485 12.982 2.117) 26.050 17.700 ( 23.314 13.460 0.738) 26.930 18.749 ( -19.503 -11.260 -17.070) 28.258 18.857 ( -11.931 -6.888 11.189) 17.748 19.828 ( -5.591 -3.228 12.769) 14.308 20.455 ( -1.312 -0.758 9.183) 9.307 21.093 ( 8.482 4.897 -8.870) 13.214 21.317 ( 23.485 13.559 -11.085) 29.296 23.828 ( -9.982 -5.763 17.875) 21.268 24.119 ( -13.066 -7.544 -19.544) 24.690 ======================= Grid point 934 (226/231) ======================= q-point: ( 0.46 0.46 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.789 ( -0.000 8.502 50.214) 50.928 6.054 ( -0.000 17.360 52.643) 55.432 7.150 ( 0.000 -6.824 -47.021) 47.513 7.620 ( 0.000 20.487 -48.341) 52.503 9.290 ( -0.000 0.370 30.839) 30.841 9.375 ( -0.000 -0.500 9.736) 9.749 11.119 ( -0.000 2.912 22.375) 22.564 11.913 ( -0.000 -11.608 11.383) 16.258 12.185 ( 0.000 -12.821 -4.564) 13.609 12.284 ( 0.000 -2.373 -15.876) 16.052 12.588 ( 0.000 8.696 -14.457) 16.871 12.730 ( 0.000 17.018 -14.024) 22.052 14.090 ( -0.000 -46.251 13.172) 48.090 14.352 ( -0.000 -33.116 -4.110) 33.370 14.461 ( -0.000 -35.557 17.304) 39.544 15.074 ( -0.000 -6.178 6.842) 9.219 15.634 ( 0.000 -14.828 -11.229) 18.600 15.712 ( -0.000 2.079 8.472) 8.724 15.914 ( 0.000 9.205 -6.040) 11.010 16.081 ( 0.000 44.394 3.402) 44.525 16.308 ( 0.000 32.455 -15.644) 36.028 16.430 ( 0.000 32.041 -15.562) 35.620 19.202 ( -0.000 -17.415 10.772) 20.477 19.462 ( 0.000 -7.019 -5.178) 8.722 20.124 ( -0.000 6.682 19.779) 20.877 20.181 ( -0.000 4.221 25.037) 25.390 20.696 ( 0.000 -5.100 -21.029) 21.638 20.941 ( 0.000 8.423 -21.479) 23.072 24.057 ( -0.000 -6.111 21.750) 22.593 24.638 ( 0.000 -5.662 -17.377) 18.276 ======================= Grid point 935 (227/231) ======================= q-point: ( 0.54 0.46 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.118 ( -4.449 13.502 45.990) 48.137 6.714 ( 18.657 18.108 49.756) 56.139 6.918 ( 10.538 -1.422 -43.774) 45.047 7.580 ( 4.472 22.780 -47.215) 52.614 9.394 ( -3.952 -0.875 8.836) 9.719 9.426 ( 2.459 -1.300 10.627) 10.985 11.349 ( 4.869 0.947 30.683) 31.082 11.765 ( -9.618 -5.733 1.568) 11.306 11.975 ( -8.267 -7.794 -4.759) 12.319 12.150 ( 7.621 -8.351 -30.196) 32.243 12.673 ( -1.617 2.829 7.269) 7.966 12.828 ( 1.891 7.982 -9.907) 12.862 13.463 ( -28.864 -28.146 18.171) 44.221 13.743 ( -11.409 -35.756 -11.846) 39.357 14.491 ( 9.319 -30.276 9.457) 33.059 14.676 ( -24.192 -13.359 -10.024) 29.397 15.667 ( -21.780 13.068 0.086) 25.400 15.716 ( 22.893 -14.163 -4.129) 27.235 16.017 ( 14.577 5.020 13.881) 20.745 16.254 ( -11.120 19.203 -11.379) 24.937 16.813 ( 19.803 38.394 3.226) 43.321 16.941 ( 21.944 34.855 -9.684) 42.311 19.072 ( -2.739 -19.289 12.389) 23.088 19.257 ( -10.571 -9.980 -8.480) 16.830 20.186 ( -11.482 5.695 17.066) 21.343 20.353 ( 6.047 -7.114 6.993) 11.666 20.706 ( 11.019 7.574 -3.868) 13.919 20.927 ( 3.412 11.349 -19.596) 22.901 24.076 ( -4.369 -8.675 20.593) 22.769 24.424 ( -5.164 -8.281 -18.633) 21.034 ======================= Grid point 936 (228/231) ======================= q-point: ( 0.62 0.46 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.460 ( -0.946 14.575 38.789) 41.448 6.939 ( 21.517 2.189 -37.646) 43.417 7.494 ( 20.452 16.423 46.480) 53.370 7.620 ( 7.208 22.999 -43.615) 49.831 9.332 ( -8.523 -1.433 8.797) 12.333 9.484 ( 4.749 -2.460 -3.837) 6.582 11.505 ( -3.948 -7.999 13.979) 16.582 11.585 ( -3.676 -4.718 -10.835) 12.376 11.774 ( -12.103 -2.043 4.604) 13.110 12.016 ( 3.228 -11.310 -16.186) 20.008 12.411 ( -22.445 -14.550 18.122) 32.309 12.673 ( -7.150 -19.018 -13.093) 24.171 13.180 ( -7.103 -1.747 11.388) 13.535 13.401 ( 6.356 -9.364 -5.317) 12.504 14.053 ( -28.319 1.400 -14.732) 31.953 14.449 ( 10.266 -27.006 4.412) 29.226 15.406 ( -26.232 16.169 0.250) 30.816 15.792 ( -8.692 0.574 -6.402) 10.810 16.144 ( 5.435 0.518 0.688) 5.503 16.545 ( 32.761 -10.616 10.879) 36.116 17.464 ( 15.575 33.128 5.921) 37.083 17.546 ( 20.383 27.674 -2.640) 34.472 18.844 ( -17.860 -12.683 -14.375) 26.201 18.913 ( -4.243 -18.801 11.237) 22.310 20.085 ( -14.201 4.580 10.905) 18.481 20.391 ( 6.738 -9.843 -2.957) 12.289 21.008 ( 9.467 12.201 5.313) 16.331 21.080 ( 13.866 16.118 -12.529) 24.678 24.008 ( -7.587 -10.109 19.115) 22.916 24.105 ( -9.529 -9.964 -19.488) 23.872 ======================= Grid point 948 (229/231) ======================= q-point: ( 0.54 0.54 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.541 ( 0.000 3.490 -21.736) 22.014 6.630 ( -0.000 17.381 21.213) 27.425 7.004 ( -0.000 19.558 47.992) 51.824 7.497 ( 0.000 26.484 -47.945) 54.773 9.402 ( -0.000 -5.293 -0.862) 5.363 9.474 ( -0.000 1.121 6.126) 6.228 11.491 ( -0.000 -4.214 29.369) 29.670 11.805 ( 0.000 -3.040 -33.056) 33.196 11.808 ( -0.000 -11.034 1.509) 11.137 12.016 ( -0.000 -1.813 10.561) 10.715 12.677 ( 0.000 -5.660 -2.582) 6.221 12.827 ( 0.000 -5.129 -6.441) 8.234 13.337 ( 0.000 -22.124 -4.444) 22.566 13.743 ( -0.000 -25.712 -2.594) 25.843 14.010 ( -0.000 -32.262 18.957) 37.419 14.939 ( -0.000 -12.413 5.551) 13.598 15.192 ( 0.000 -14.228 -12.608) 19.010 15.737 ( -0.000 -9.181 8.000) 12.178 16.136 ( 0.000 12.541 1.191) 12.597 16.666 ( 0.000 30.149 -14.771) 33.573 16.933 ( 0.000 33.485 -5.394) 33.916 17.051 ( 0.000 42.186 2.255) 42.246 18.976 ( -0.000 -21.907 14.520) 26.282 19.209 ( 0.000 -11.545 -7.941) 14.012 20.145 ( 0.000 -10.937 -10.013) 14.828 20.475 ( -0.000 -0.940 14.642) 14.672 20.742 ( -0.000 20.284 7.486) 21.621 20.896 ( 0.000 11.490 -13.348) 17.613 24.137 ( -0.000 -11.562 20.108) 23.194 24.266 ( 0.000 -10.579 -19.113) 21.845 ======================= Grid point 1105 (230/231) ======================= q-point: ( 0.46 0.46 0.46) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.112 ( -0.000 0.000 52.576) 52.576 6.112 ( -0.000 0.000 52.576) 52.576 7.024 ( 0.000 -0.000 -50.225) 50.225 7.024 ( 0.000 -0.000 -50.225) 50.225 9.429 ( -0.000 0.000 15.853) 15.853 9.436 ( -0.000 0.000 8.214) 8.214 11.268 ( -0.000 0.000 38.553) 38.553 12.165 ( 0.000 -0.000 -55.704) 55.704 12.236 ( -0.000 0.000 11.575) 11.575 12.236 ( -0.000 0.000 11.575) 11.575 12.404 ( 0.000 0.000 -7.020) 7.020 12.404 ( 0.000 0.000 -7.020) 7.020 14.898 ( -0.000 -0.000 13.110) 13.110 14.898 ( -0.000 0.000 13.110) 13.110 14.980 ( -0.000 0.000 5.385) 5.385 14.980 ( -0.000 0.000 5.385) 5.385 15.456 ( -0.000 0.000 17.715) 17.715 15.772 ( 0.000 -0.000 -6.592) 6.592 15.772 ( 0.000 -0.000 -6.592) 6.592 15.812 ( 0.000 -0.000 -22.326) 22.326 15.819 ( 0.000 -0.000 -10.458) 10.458 15.819 ( 0.000 -0.000 -10.458) 10.458 19.409 ( -0.000 0.000 6.013) 6.013 19.506 ( 0.000 -0.000 -4.946) 4.946 20.240 ( -0.000 0.000 25.055) 25.055 20.240 ( -0.000 0.000 25.055) 25.055 20.671 ( 0.000 -0.000 -23.293) 23.293 20.671 ( 0.000 -0.000 -23.293) 23.293 24.241 ( -0.000 0.000 21.024) 21.024 24.588 ( 0.000 -0.000 -18.052) 18.052 ======================= Grid point 1106 (231/231) ======================= q-point: ( 0.54 0.46 0.46) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.295 ( -2.784 -1.607 49.332) 49.436 6.662 ( 3.435 1.983 -48.222) 48.384 6.735 ( 19.445 11.227 51.278) 55.979 6.970 ( 13.380 7.725 -50.546) 52.855 9.457 ( -1.971 -1.138 4.838) 5.347 9.479 ( 0.015 0.009 2.228) 2.228 11.550 ( 1.997 1.153 44.835) 44.894 11.784 ( -5.832 -3.367 -37.379) 37.981 12.071 ( -11.408 -6.587 -4.147) 13.811 12.130 ( -4.636 -2.676 -8.585) 10.117 12.559 ( 10.299 5.946 8.720) 14.747 12.639 ( 12.876 7.434 -5.538) 15.866 14.084 ( -45.021 -25.993 13.395) 53.683 14.376 ( -31.496 -18.184 -6.185) 36.891 14.712 ( -27.646 -15.961 -8.566) 33.052 15.158 ( -4.739 -2.736 -5.204) 7.552 15.402 ( -12.896 -7.446 12.357) 19.351 15.860 ( 1.291 0.745 -9.696) 9.810 15.914 ( 10.129 5.848 -0.924) 11.732 15.990 ( 25.123 14.505 16.445) 33.347 16.253 ( 31.333 18.090 1.476) 36.210 16.274 ( 38.510 22.234 -13.128) 46.365 19.353 ( -7.336 -4.235 7.175) 11.101 19.363 ( -10.442 -6.029 -7.458) 14.178 20.268 ( -7.550 -4.359 19.057) 20.957 20.505 ( 3.460 1.998 15.597) 16.100 20.533 ( 6.473 3.737 -17.962) 19.455 20.648 ( 7.835 4.524 -15.421) 17.879 24.306 ( -5.111 -2.951 20.021) 20.872 24.420 ( -5.347 -3.087 -19.189) 20.158 =================== 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 3/65910 10.0 25046.040 25046.040 50973.317 0.000 -0.000 0.000 3/65910 20.0 30704.976 30704.976 38484.969 0.000 -0.000 0.000 3/65910 30.0 18053.935 18053.935 20752.772 0.000 -0.000 0.000 3/65910 40.0 9032.944 9032.944 10186.655 0.000 -0.000 0.000 3/65910 50.0 4219.767 4219.767 4732.488 0.000 -0.000 0.000 3/65910 60.0 2097.149 2097.149 2335.721 0.000 -0.000 0.000 3/65910 70.0 1158.795 1158.795 1282.432 0.000 -0.000 0.000 3/65910 80.0 707.934 707.934 780.266 0.000 -0.000 0.000 3/65910 90.0 469.885 469.885 516.837 0.000 -0.000 0.000 3/65910 100.0 333.216 333.216 366.248 0.000 -0.000 0.000 3/65910 110.0 249.070 249.070 273.752 0.000 -0.000 0.000 3/65910 120.0 194.193 194.193 213.482 0.000 -0.000 0.000 3/65910 130.0 156.658 156.658 172.250 0.000 -0.000 0.000 3/65910 140.0 129.943 129.943 142.879 0.000 -0.000 0.000 3/65910 150.0 110.279 110.279 121.232 0.000 -0.000 0.000 3/65910 160.0 95.385 95.385 104.811 0.000 -0.000 0.000 3/65910 170.0 83.821 83.821 92.044 0.000 -0.000 0.000 3/65910 180.0 74.648 74.648 81.903 0.000 -0.000 0.000 3/65910 190.0 67.233 67.233 73.697 0.000 -0.000 0.000 3/65910 200.0 61.141 61.141 66.948 0.000 -0.000 0.000 3/65910 210.0 56.061 56.061 61.317 0.000 -0.000 0.000 3/65910 220.0 51.770 51.770 56.559 0.000 -0.000 0.000 3/65910 230.0 48.103 48.103 52.492 0.000 -0.000 0.000 3/65910 240.0 44.937 44.937 48.981 0.000 -0.000 0.000 3/65910 250.0 42.178 42.178 45.922 0.000 -0.000 0.000 3/65910 260.0 39.752 39.752 43.235 0.000 -0.000 0.000 3/65910 270.0 37.605 37.605 40.857 0.000 -0.000 0.000 3/65910 280.0 35.690 35.690 38.738 0.000 -0.000 0.000 3/65910 290.0 33.972 33.972 36.838 0.000 -0.000 0.000 3/65910 300.0 32.422 32.422 35.125 0.000 -0.000 0.000 3/65910 310.0 31.016 31.016 33.573 0.000 -0.000 0.000 3/65910 320.0 29.734 29.734 32.160 0.000 -0.000 0.000 3/65910 330.0 28.561 28.561 30.868 0.000 -0.000 0.000 3/65910 340.0 27.483 27.483 29.681 0.000 -0.000 0.000 3/65910 350.0 26.489 26.489 28.588 0.000 -0.000 0.000 3/65910 360.0 25.569 25.569 27.578 0.000 -0.000 0.000 3/65910 370.0 24.715 24.715 26.640 0.000 -0.000 0.000 3/65910 380.0 23.920 23.920 25.768 0.000 -0.000 0.000 3/65910 390.0 23.177 23.177 24.955 0.000 -0.000 0.000 3/65910 400.0 22.482 22.482 24.195 0.000 -0.000 0.000 3/65910 410.0 21.830 21.830 23.482 0.000 -0.000 0.000 3/65910 420.0 21.217 21.217 22.812 0.000 -0.000 0.000 3/65910 430.0 20.640 20.640 22.182 0.000 -0.000 0.000 3/65910 440.0 20.095 20.095 21.588 0.000 -0.000 0.000 3/65910 450.0 19.579 19.579 21.026 0.000 -0.000 0.000 3/65910 460.0 19.091 19.091 20.494 0.000 -0.000 0.000 3/65910 470.0 18.628 18.628 19.990 0.000 -0.000 0.000 3/65910 480.0 18.188 18.188 19.512 0.000 -0.000 0.000 3/65910 490.0 17.769 17.769 19.057 0.000 -0.000 0.000 3/65910 500.0 17.370 17.370 18.624 0.000 -0.000 0.000 3/65910 510.0 16.989 16.989 18.210 0.000 -0.000 0.000 3/65910 520.0 16.626 16.626 17.816 0.000 -0.000 0.000 3/65910 530.0 16.278 16.278 17.439 0.000 -0.000 0.000 3/65910 540.0 15.945 15.945 17.079 0.000 -0.000 0.000 3/65910 550.0 15.626 15.626 16.734 0.000 -0.000 0.000 3/65910 560.0 15.321 15.321 16.403 0.000 -0.000 0.000 3/65910 570.0 15.027 15.027 16.085 0.000 -0.000 0.000 3/65910 580.0 14.745 14.745 15.780 0.000 -0.000 0.000 3/65910 590.0 14.474 14.474 15.487 0.000 -0.000 0.000 3/65910 600.0 14.212 14.212 15.205 0.000 -0.000 0.000 3/65910 610.0 13.961 13.961 14.933 0.000 -0.000 0.000 3/65910 620.0 13.718 13.718 14.672 0.000 -0.000 0.000 3/65910 630.0 13.484 13.484 14.419 0.000 -0.000 0.000 3/65910 640.0 13.258 13.258 14.176 0.000 -0.000 0.000 3/65910 650.0 13.040 13.040 13.940 0.000 -0.000 0.000 3/65910 660.0 12.829 12.829 13.713 0.000 -0.000 0.000 3/65910 670.0 12.625 12.625 13.493 0.000 -0.000 0.000 3/65910 680.0 12.428 12.428 13.281 0.000 -0.000 0.000 3/65910 690.0 12.237 12.237 13.075 0.000 -0.000 0.000 3/65910 700.0 12.052 12.052 12.876 0.000 -0.000 0.000 3/65910 710.0 11.872 11.872 12.683 0.000 -0.000 0.000 3/65910 720.0 11.698 11.698 12.495 0.000 -0.000 0.000 3/65910 730.0 11.529 11.529 12.314 0.000 -0.000 0.000 3/65910 740.0 11.365 11.365 12.137 0.000 -0.000 0.000 3/65910 750.0 11.206 11.206 11.966 0.000 -0.000 0.000 3/65910 760.0 11.051 11.051 11.800 0.000 -0.000 0.000 3/65910 770.0 10.900 10.900 11.638 0.000 -0.000 0.000 3/65910 780.0 10.754 10.754 11.481 0.000 -0.000 0.000 3/65910 790.0 10.612 10.612 11.328 0.000 -0.000 0.000 3/65910 800.0 10.473 10.473 11.179 0.000 -0.000 0.000 3/65910 810.0 10.338 10.338 11.034 0.000 -0.000 0.000 3/65910 820.0 10.207 10.207 10.893 0.000 -0.000 0.000 3/65910 830.0 10.079 10.079 10.756 0.000 -0.000 0.000 3/65910 840.0 9.954 9.954 10.622 0.000 -0.000 0.000 3/65910 850.0 9.832 9.832 10.491 0.000 -0.000 0.000 3/65910 860.0 9.713 9.713 10.364 0.000 -0.000 0.000 3/65910 870.0 9.598 9.598 10.240 0.000 -0.000 0.000 3/65910 880.0 9.485 9.485 10.119 0.000 -0.000 0.000 3/65910 890.0 9.374 9.374 10.000 0.000 -0.000 0.000 3/65910 900.0 9.266 9.266 9.885 0.000 -0.000 0.000 3/65910 910.0 9.161 9.161 9.772 0.000 -0.000 0.000 3/65910 920.0 9.058 9.058 9.662 0.000 -0.000 0.000 3/65910 930.0 8.958 8.958 9.554 0.000 -0.000 0.000 3/65910 940.0 8.859 8.859 9.449 0.000 -0.000 0.000 3/65910 950.0 8.763 8.763 9.346 0.000 -0.000 0.000 3/65910 960.0 8.669 8.669 9.245 0.000 -0.000 0.000 3/65910 970.0 8.577 8.577 9.147 0.000 -0.000 0.000 3/65910 980.0 8.487 8.487 9.050 0.000 -0.000 0.000 3/65910 990.0 8.399 8.399 8.956 0.000 -0.000 0.000 3/65910 1000.0 8.313 8.313 8.863 0.000 -0.000 0.000 3/65910 Thermal conductivity related properties were written into "kappa-m131313.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:45:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|