----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:25:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.440394659644980 1.408962513674952 5.308639959999994 b -2.440394659644975 1.408962513674952 5.308639959999994 c 0.000000000000002 -2.817925027349907 5.308639959999994 Atomic positions (fractional): *1 B 0.75000000000000 0.75000000000000 0.75000000000000 10.811 2 B 0.25000000000000 0.25000000000000 0.25000000000000 10.811 *3 O 0.75000000000000 0.03357341030658 0.46642658969342 15.999 4 O 0.46642658969342 0.75000000000000 0.03357341030658 15.999 5 O 0.96642658969342 0.53357341030658 0.25000000000000 15.999 6 O 0.25000000000000 0.96642658969342 0.53357341030658 15.999 7 O 0.53357341030658 0.25000000000000 0.96642658969342 15.999 8 O 0.03357341030658 0.46642658969342 0.75000000000000 15.999 *9 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 10 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.880789319289956 0.000000000000000 0.000000000000000 b -2.440394659644978 4.226887541024859 0.000000000000000 c 0.000000000000000 0.000000000000000 15.925919879999999 Atomic positions (fractional): *1 B 0.66666666666667 0.33333333333333 0.08333333333333 10.811 > 1 2 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 2 3 B 0.33333333333333 0.66666666666667 0.41666666666667 10.811 > 1 4 B 0.66666666666667 0.33333333333333 0.58333333333333 10.811 > 2 5 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 1 6 B 0.33333333333333 0.66666666666667 0.91666666666667 10.811 > 2 *7 O 0.66666666666667 0.61690674363991 0.08333333333333 15.999 > 3 8 O 0.38309325636009 0.04975992302676 0.08333333333333 15.999 > 4 9 O 0.71642658969342 0.00000000000000 0.25000000000000 15.999 > 5 10 O 0.00000000000000 0.71642658969342 0.25000000000000 15.999 > 6 11 O 0.28357341030658 0.28357341030658 0.25000000000000 15.999 > 7 12 O 0.95024007697324 0.33333333333333 0.08333333333333 15.999 > 8 13 O 0.33333333333333 0.95024007697324 0.41666666666667 15.999 > 3 14 O 0.04975992302676 0.38309325636009 0.41666666666667 15.999 > 4 15 O 0.38309325636009 0.33333333333333 0.58333333333333 15.999 > 5 16 O 0.66666666666667 0.04975992302676 0.58333333333333 15.999 > 6 17 O 0.95024007697324 0.61690674363991 0.58333333333333 15.999 > 7 18 O 0.61690674363991 0.66666666666667 0.41666666666667 15.999 > 8 19 O 0.00000000000000 0.28357341030658 0.75000000000000 15.999 > 3 20 O 0.71642658969342 0.71642658969342 0.75000000000000 15.999 > 4 21 O 0.04975992302676 0.66666666666667 0.91666666666667 15.999 > 5 22 O 0.33333333333333 0.38309325636009 0.91666666666667 15.999 > 6 23 O 0.61690674363991 0.95024007697324 0.91666666666667 15.999 > 7 24 O 0.28357341030658 0.00000000000000 0.75000000000000 15.999 > 8 *25 Lu 0.33333333333333 0.66666666666667 0.16666666666667 174.967 > 9 26 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 > 10 27 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 9 28 Lu 0.66666666666667 0.33333333333333 0.33333333333333 174.967 > 10 29 Lu 0.66666666666667 0.33333333333333 0.83333333333333 174.967 > 9 30 Lu 0.33333333333333 0.66666666666667 0.66666666666667 174.967 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.761578638579913 0.000000000000000 0.000000000000000 b -4.880789319289956 8.453775082049718 0.000000000000000 c 0.000000000000000 0.000000000000000 15.925919879999999 Atomic positions (fractional): *1 B 0.33333333333333 0.16666666666667 0.08333333333333 10.811 > 1 2 B 0.83333333333333 0.16666666666667 0.08333333333333 10.811 > 1 3 B 0.33333333333333 0.66666666666667 0.08333333333333 10.811 > 1 4 B 0.83333333333333 0.66666666666667 0.08333333333333 10.811 > 1 5 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 2 6 B 0.50000000000000 0.00000000000000 0.25000000000000 10.811 > 2 7 B 0.00000000000000 0.50000000000000 0.25000000000000 10.811 > 2 8 B 0.50000000000000 0.50000000000000 0.25000000000000 10.811 > 2 9 B 0.16666666666667 0.33333333333333 0.41666666666667 10.811 > 1 10 B 0.66666666666667 0.33333333333333 0.41666666666667 10.811 > 1 11 B 0.16666666666667 0.83333333333333 0.41666666666667 10.811 > 1 12 B 0.66666666666667 0.83333333333333 0.41666666666667 10.811 > 1 13 B 0.33333333333333 0.16666666666667 0.58333333333333 10.811 > 2 14 B 0.83333333333333 0.16666666666667 0.58333333333333 10.811 > 2 15 B 0.33333333333333 0.66666666666667 0.58333333333333 10.811 > 2 16 B 0.83333333333333 0.66666666666667 0.58333333333333 10.811 > 2 17 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 1 18 B 0.50000000000000 0.00000000000000 0.75000000000000 10.811 > 1 19 B 0.00000000000000 0.50000000000000 0.75000000000000 10.811 > 1 20 B 0.50000000000000 0.50000000000000 0.75000000000000 10.811 > 1 21 B 0.16666666666667 0.33333333333333 0.91666666666667 10.811 > 2 22 B 0.66666666666667 0.33333333333333 0.91666666666667 10.811 > 2 23 B 0.16666666666667 0.83333333333333 0.91666666666667 10.811 > 2 24 B 0.66666666666667 0.83333333333333 0.91666666666667 10.811 > 2 *25 O 0.33333333333333 0.30845337181996 0.08333333333333 15.999 > 3 26 O 0.83333333333333 0.30845337181996 0.08333333333333 15.999 > 3 27 O 0.33333333333333 0.80845337181996 0.08333333333333 15.999 > 3 28 O 0.83333333333333 0.80845337181996 0.08333333333333 15.999 > 3 29 O 0.19154662818004 0.02487996151338 0.08333333333333 15.999 > 4 30 O 0.69154662818004 0.02487996151338 0.08333333333333 15.999 > 4 31 O 0.19154662818004 0.52487996151338 0.08333333333333 15.999 > 4 32 O 0.69154662818004 0.52487996151338 0.08333333333333 15.999 > 4 33 O 0.35821329484671 0.00000000000000 0.25000000000000 15.999 > 5 34 O 0.85821329484671 0.00000000000000 0.25000000000000 15.999 > 5 35 O 0.35821329484671 0.50000000000000 0.25000000000000 15.999 > 5 36 O 0.85821329484671 0.50000000000000 0.25000000000000 15.999 > 5 37 O 0.00000000000000 0.35821329484671 0.25000000000000 15.999 > 6 38 O 0.50000000000000 0.35821329484671 0.25000000000000 15.999 > 6 39 O 0.00000000000000 0.85821329484671 0.25000000000000 15.999 > 6 40 O 0.50000000000000 0.85821329484671 0.25000000000000 15.999 > 6 41 O 0.14178670515329 0.14178670515329 0.25000000000000 15.999 > 7 42 O 0.64178670515329 0.14178670515329 0.25000000000000 15.999 > 7 43 O 0.14178670515329 0.64178670515329 0.25000000000000 15.999 > 7 44 O 0.64178670515329 0.64178670515329 0.25000000000000 15.999 > 7 45 O 0.47512003848662 0.16666666666667 0.08333333333333 15.999 > 8 46 O 0.97512003848662 0.16666666666667 0.08333333333333 15.999 > 8 47 O 0.47512003848662 0.66666666666667 0.08333333333333 15.999 > 8 48 O 0.97512003848662 0.66666666666667 0.08333333333333 15.999 > 8 49 O 0.16666666666667 0.47512003848662 0.41666666666667 15.999 > 3 50 O 0.66666666666667 0.47512003848662 0.41666666666667 15.999 > 3 51 O 0.16666666666667 0.97512003848662 0.41666666666667 15.999 > 3 52 O 0.66666666666667 0.97512003848662 0.41666666666667 15.999 > 3 53 O 0.02487996151338 0.19154662818004 0.41666666666667 15.999 > 4 54 O 0.52487996151338 0.19154662818004 0.41666666666667 15.999 > 4 55 O 0.02487996151338 0.69154662818004 0.41666666666667 15.999 > 4 56 O 0.52487996151338 0.69154662818004 0.41666666666667 15.999 > 4 57 O 0.19154662818004 0.16666666666667 0.58333333333333 15.999 > 5 58 O 0.69154662818004 0.16666666666667 0.58333333333333 15.999 > 5 59 O 0.19154662818004 0.66666666666667 0.58333333333333 15.999 > 5 60 O 0.69154662818004 0.66666666666667 0.58333333333333 15.999 > 5 61 O 0.33333333333333 0.02487996151338 0.58333333333333 15.999 > 6 62 O 0.83333333333333 0.02487996151338 0.58333333333333 15.999 > 6 63 O 0.33333333333333 0.52487996151338 0.58333333333333 15.999 > 6 64 O 0.83333333333333 0.52487996151338 0.58333333333333 15.999 > 6 65 O 0.47512003848662 0.30845337181996 0.58333333333333 15.999 > 7 66 O 0.97512003848662 0.30845337181996 0.58333333333333 15.999 > 7 67 O 0.47512003848662 0.80845337181996 0.58333333333333 15.999 > 7 68 O 0.97512003848662 0.80845337181996 0.58333333333333 15.999 > 7 69 O 0.30845337181996 0.33333333333333 0.41666666666667 15.999 > 8 70 O 0.80845337181996 0.33333333333333 0.41666666666667 15.999 > 8 71 O 0.30845337181996 0.83333333333333 0.41666666666667 15.999 > 8 72 O 0.80845337181996 0.83333333333333 0.41666666666667 15.999 > 8 73 O 0.00000000000000 0.14178670515329 0.75000000000000 15.999 > 3 74 O 0.50000000000000 0.14178670515329 0.75000000000000 15.999 > 3 75 O 0.00000000000000 0.64178670515329 0.75000000000000 15.999 > 3 76 O 0.50000000000000 0.64178670515329 0.75000000000000 15.999 > 3 77 O 0.35821329484671 0.35821329484671 0.75000000000000 15.999 > 4 78 O 0.85821329484671 0.35821329484671 0.75000000000000 15.999 > 4 79 O 0.35821329484671 0.85821329484671 0.75000000000000 15.999 > 4 80 O 0.85821329484671 0.85821329484671 0.75000000000000 15.999 > 4 81 O 0.02487996151338 0.33333333333333 0.91666666666667 15.999 > 5 82 O 0.52487996151338 0.33333333333333 0.91666666666667 15.999 > 5 83 O 0.02487996151338 0.83333333333333 0.91666666666667 15.999 > 5 84 O 0.52487996151338 0.83333333333333 0.91666666666667 15.999 > 5 85 O 0.16666666666667 0.19154662818004 0.91666666666667 15.999 > 6 86 O 0.66666666666667 0.19154662818004 0.91666666666667 15.999 > 6 87 O 0.16666666666667 0.69154662818004 0.91666666666667 15.999 > 6 88 O 0.66666666666667 0.69154662818004 0.91666666666667 15.999 > 6 89 O 0.30845337181996 0.47512003848662 0.91666666666667 15.999 > 7 90 O 0.80845337181996 0.47512003848662 0.91666666666667 15.999 > 7 91 O 0.30845337181996 0.97512003848662 0.91666666666667 15.999 > 7 92 O 0.80845337181996 0.97512003848662 0.91666666666667 15.999 > 7 93 O 0.14178670515329 0.00000000000000 0.75000000000000 15.999 > 8 94 O 0.64178670515329 0.00000000000000 0.75000000000000 15.999 > 8 95 O 0.14178670515329 0.50000000000000 0.75000000000000 15.999 > 8 96 O 0.64178670515329 0.50000000000000 0.75000000000000 15.999 > 8 *97 Lu 0.16666666666667 0.33333333333333 0.16666666666667 174.967 > 9 98 Lu 0.66666666666667 0.33333333333333 0.16666666666667 174.967 > 9 99 Lu 0.16666666666667 0.83333333333333 0.16666666666667 174.967 > 9 100 Lu 0.66666666666667 0.83333333333333 0.16666666666667 174.967 > 9 101 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 > 10 102 Lu 0.50000000000000 0.00000000000000 0.00000000000000 174.967 > 10 103 Lu 0.00000000000000 0.50000000000000 0.00000000000000 174.967 > 10 104 Lu 0.50000000000000 0.50000000000000 0.00000000000000 174.967 > 10 105 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 9 106 Lu 0.50000000000000 0.00000000000000 0.50000000000000 174.967 > 9 107 Lu 0.00000000000000 0.50000000000000 0.50000000000000 174.967 > 9 108 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 > 9 109 Lu 0.33333333333333 0.16666666666667 0.33333333333333 174.967 > 10 110 Lu 0.83333333333333 0.16666666666667 0.33333333333333 174.967 > 10 111 Lu 0.33333333333333 0.66666666666667 0.33333333333333 174.967 > 10 112 Lu 0.83333333333333 0.66666666666667 0.33333333333333 174.967 > 10 113 Lu 0.33333333333333 0.16666666666667 0.83333333333333 174.967 > 9 114 Lu 0.83333333333333 0.16666666666667 0.83333333333333 174.967 > 9 115 Lu 0.33333333333333 0.66666666666667 0.83333333333333 174.967 > 9 116 Lu 0.83333333333333 0.66666666666667 0.83333333333333 174.967 > 9 117 Lu 0.16666666666667 0.33333333333333 0.66666666666667 174.967 > 10 118 Lu 0.66666666666667 0.33333333333333 0.66666666666667 174.967 > 10 119 Lu 0.16666666666667 0.83333333333333 0.66666666666667 174.967 > 10 120 Lu 0.66666666666667 0.83333333333333 0.66666666666667 174.967 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5276064 -0.0000000 0.0000000 0.0000000 3.5276064 0.0000000 0.0000000 0.0000000 3.1897112 -------------------------- Born effective charges -------------------------- 1 B 2.9330172 -0.0000000 -0.0000000 0.0000000 2.9330172 0.0000000 0.0000000 0.0000000 0.7462796 2 B 2.9330172 -0.0000000 -0.0000000 0.0000000 2.9330172 0.0000000 0.0000000 0.0000000 0.7462796 3 O -2.0510438 0.3754787 0.4791771 0.3754787 -2.4846093 0.2766530 0.4745440 0.2739781 -1.5704878 4 O -2.0510438 -0.3754787 -0.4791771 -0.3754787 -2.4846093 0.2766530 -0.4745440 0.2739781 -1.5704878 5 O -2.7013920 0.0000000 -0.0000000 0.0000000 -1.8342610 -0.5533060 0.0000000 -0.5479562 -1.5704878 6 O -2.0510438 0.3754787 0.4791771 0.3754787 -2.4846093 0.2766530 0.4745440 0.2739781 -1.5704878 7 O -2.0510438 -0.3754787 -0.4791771 -0.3754787 -2.4846093 0.2766530 -0.4745440 0.2739781 -1.5704878 8 O -2.7013920 0.0000000 -0.0000000 0.0000000 -1.8342610 -0.5533060 0.0000000 -0.5479562 -1.5704878 9 Lu 3.8704624 0.1235589 -0.0000000 -0.1235589 3.8704624 0.0000000 0.0000000 0.0000000 3.9651837 10 Lu 3.8704624 -0.1235589 -0.0000000 0.1235589 3.8704624 0.0000000 0.0000000 0.0000000 3.9651837 ---------------------------------------------------------------------------- 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: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 510 Number of blocks in projector: 272 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: 239 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 77 Use standard eigh solver. Tree of FC basis block matrices: - (510, 500), data: False |-- (77, 74), data: True |-- (194, 192), data: True |-- (239, 234), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.012 Solver_block: 100 / 160 - Time: 0.537 Solver_block: 160 / 160 - Time: 0.334 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.910 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 510 Number of blocks in projector: 272 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: 239 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 77 Use standard eigh solver. Tree of FC basis block matrices: - (510, 500), data: False |-- (77, 74), data: True |-- (194, 192), data: True |-- (239, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:25:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:25:45]------------------------- 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 2.440394659644980 1.408962513674952 5.308639959999994 b -2.440394659644975 1.408962513674952 5.308639959999994 c 0.000000000000002 -2.817925027349907 5.308639959999994 Atomic positions (fractional): 1 B 0.75000000000000 0.75000000000000 0.75000000000000 10.811 2 B 0.25000000000000 0.25000000000000 0.25000000000000 10.811 3 O 0.75000000000000 0.03357341030658 0.46642658969342 15.999 4 O 0.46642658969342 0.75000000000000 0.03357341030658 15.999 5 O 0.96642658969342 0.53357341030658 0.25000000000000 15.999 6 O 0.25000000000000 0.96642658969342 0.53357341030658 15.999 7 O 0.53357341030658 0.25000000000000 0.96642658969342 15.999 8 O 0.03357341030658 0.46642658969342 0.75000000000000 15.999 9 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 10 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.761578638579913 0.000000000000000 0.000000000000000 b -4.880789319289956 8.453775082049718 0.000000000000000 c 0.000000000000000 0.000000000000000 15.925919879999999 Atomic positions (fractional): 1 B 0.33333333333333 0.16666666666667 0.08333333333333 10.811 > 1 2 B 0.83333333333333 0.16666666666667 0.08333333333333 10.811 > 1 3 B 0.33333333333333 0.66666666666667 0.08333333333333 10.811 > 1 4 B 0.83333333333333 0.66666666666667 0.08333333333333 10.811 > 1 5 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 5 6 B 0.50000000000000 0.00000000000000 0.25000000000000 10.811 > 5 7 B 0.00000000000000 0.50000000000000 0.25000000000000 10.811 > 5 8 B 0.50000000000000 0.50000000000000 0.25000000000000 10.811 > 5 9 B 0.16666666666667 0.33333333333333 0.41666666666667 10.811 > 1 10 B 0.66666666666667 0.33333333333333 0.41666666666667 10.811 > 1 11 B 0.16666666666667 0.83333333333333 0.41666666666667 10.811 > 1 12 B 0.66666666666667 0.83333333333333 0.41666666666667 10.811 > 1 13 B 0.33333333333333 0.16666666666667 0.58333333333333 10.811 > 5 14 B 0.83333333333333 0.16666666666667 0.58333333333333 10.811 > 5 15 B 0.33333333333333 0.66666666666667 0.58333333333333 10.811 > 5 16 B 0.83333333333333 0.66666666666667 0.58333333333333 10.811 > 5 17 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 1 18 B 0.50000000000000 0.00000000000000 0.75000000000000 10.811 > 1 19 B 0.00000000000000 0.50000000000000 0.75000000000000 10.811 > 1 20 B 0.50000000000000 0.50000000000000 0.75000000000000 10.811 > 1 21 B 0.16666666666667 0.33333333333333 0.91666666666667 10.811 > 5 22 B 0.66666666666667 0.33333333333333 0.91666666666667 10.811 > 5 23 B 0.16666666666667 0.83333333333333 0.91666666666667 10.811 > 5 24 B 0.66666666666667 0.83333333333333 0.91666666666667 10.811 > 5 25 O 0.33333333333333 0.30845337181996 0.08333333333333 15.999 > 25 26 O 0.83333333333333 0.30845337181996 0.08333333333333 15.999 > 25 27 O 0.33333333333333 0.80845337181996 0.08333333333333 15.999 > 25 28 O 0.83333333333333 0.80845337181996 0.08333333333333 15.999 > 25 29 O 0.19154662818004 0.02487996151338 0.08333333333333 15.999 > 29 30 O 0.69154662818004 0.02487996151338 0.08333333333333 15.999 > 29 31 O 0.19154662818004 0.52487996151338 0.08333333333333 15.999 > 29 32 O 0.69154662818004 0.52487996151338 0.08333333333333 15.999 > 29 33 O 0.35821329484671 0.00000000000000 0.25000000000000 15.999 > 33 34 O 0.85821329484671 0.00000000000000 0.25000000000000 15.999 > 33 35 O 0.35821329484671 0.50000000000000 0.25000000000000 15.999 > 33 36 O 0.85821329484671 0.50000000000000 0.25000000000000 15.999 > 33 37 O 0.00000000000000 0.35821329484671 0.25000000000000 15.999 > 37 38 O 0.50000000000000 0.35821329484671 0.25000000000000 15.999 > 37 39 O 0.00000000000000 0.85821329484671 0.25000000000000 15.999 > 37 40 O 0.50000000000000 0.85821329484671 0.25000000000000 15.999 > 37 41 O 0.14178670515329 0.14178670515329 0.25000000000000 15.999 > 41 42 O 0.64178670515329 0.14178670515329 0.25000000000000 15.999 > 41 43 O 0.14178670515329 0.64178670515329 0.25000000000000 15.999 > 41 44 O 0.64178670515329 0.64178670515329 0.25000000000000 15.999 > 41 45 O 0.47512003848662 0.16666666666667 0.08333333333333 15.999 > 45 46 O 0.97512003848662 0.16666666666667 0.08333333333333 15.999 > 45 47 O 0.47512003848662 0.66666666666667 0.08333333333333 15.999 > 45 48 O 0.97512003848662 0.66666666666667 0.08333333333333 15.999 > 45 49 O 0.16666666666667 0.47512003848662 0.41666666666667 15.999 > 25 50 O 0.66666666666667 0.47512003848662 0.41666666666667 15.999 > 25 51 O 0.16666666666667 0.97512003848662 0.41666666666667 15.999 > 25 52 O 0.66666666666667 0.97512003848662 0.41666666666667 15.999 > 25 53 O 0.02487996151338 0.19154662818004 0.41666666666667 15.999 > 29 54 O 0.52487996151338 0.19154662818004 0.41666666666667 15.999 > 29 55 O 0.02487996151338 0.69154662818004 0.41666666666667 15.999 > 29 56 O 0.52487996151338 0.69154662818004 0.41666666666667 15.999 > 29 57 O 0.19154662818004 0.16666666666667 0.58333333333333 15.999 > 33 58 O 0.69154662818004 0.16666666666667 0.58333333333333 15.999 > 33 59 O 0.19154662818004 0.66666666666667 0.58333333333333 15.999 > 33 60 O 0.69154662818004 0.66666666666667 0.58333333333333 15.999 > 33 61 O 0.33333333333333 0.02487996151338 0.58333333333333 15.999 > 37 62 O 0.83333333333333 0.02487996151338 0.58333333333333 15.999 > 37 63 O 0.33333333333333 0.52487996151338 0.58333333333333 15.999 > 37 64 O 0.83333333333333 0.52487996151338 0.58333333333333 15.999 > 37 65 O 0.47512003848662 0.30845337181996 0.58333333333333 15.999 > 41 66 O 0.97512003848662 0.30845337181996 0.58333333333333 15.999 > 41 67 O 0.47512003848662 0.80845337181996 0.58333333333333 15.999 > 41 68 O 0.97512003848662 0.80845337181996 0.58333333333333 15.999 > 41 69 O 0.30845337181996 0.33333333333333 0.41666666666667 15.999 > 45 70 O 0.80845337181996 0.33333333333333 0.41666666666667 15.999 > 45 71 O 0.30845337181996 0.83333333333333 0.41666666666667 15.999 > 45 72 O 0.80845337181996 0.83333333333333 0.41666666666667 15.999 > 45 73 O 0.00000000000000 0.14178670515329 0.75000000000000 15.999 > 25 74 O 0.50000000000000 0.14178670515329 0.75000000000000 15.999 > 25 75 O 0.00000000000000 0.64178670515329 0.75000000000000 15.999 > 25 76 O 0.50000000000000 0.64178670515329 0.75000000000000 15.999 > 25 77 O 0.35821329484671 0.35821329484671 0.75000000000000 15.999 > 29 78 O 0.85821329484671 0.35821329484671 0.75000000000000 15.999 > 29 79 O 0.35821329484671 0.85821329484671 0.75000000000000 15.999 > 29 80 O 0.85821329484671 0.85821329484671 0.75000000000000 15.999 > 29 81 O 0.02487996151338 0.33333333333333 0.91666666666667 15.999 > 33 82 O 0.52487996151338 0.33333333333333 0.91666666666667 15.999 > 33 83 O 0.02487996151338 0.83333333333333 0.91666666666667 15.999 > 33 84 O 0.52487996151338 0.83333333333333 0.91666666666667 15.999 > 33 85 O 0.16666666666667 0.19154662818004 0.91666666666667 15.999 > 37 86 O 0.66666666666667 0.19154662818004 0.91666666666667 15.999 > 37 87 O 0.16666666666667 0.69154662818004 0.91666666666667 15.999 > 37 88 O 0.66666666666667 0.69154662818004 0.91666666666667 15.999 > 37 89 O 0.30845337181996 0.47512003848662 0.91666666666667 15.999 > 41 90 O 0.80845337181996 0.47512003848662 0.91666666666667 15.999 > 41 91 O 0.30845337181996 0.97512003848662 0.91666666666667 15.999 > 41 92 O 0.80845337181996 0.97512003848662 0.91666666666667 15.999 > 41 93 O 0.14178670515329 0.00000000000000 0.75000000000000 15.999 > 45 94 O 0.64178670515329 0.00000000000000 0.75000000000000 15.999 > 45 95 O 0.14178670515329 0.50000000000000 0.75000000000000 15.999 > 45 96 O 0.64178670515329 0.50000000000000 0.75000000000000 15.999 > 45 97 Lu 0.16666666666667 0.33333333333333 0.16666666666667 174.967 > 97 98 Lu 0.66666666666667 0.33333333333333 0.16666666666667 174.967 > 97 99 Lu 0.16666666666667 0.83333333333333 0.16666666666667 174.967 > 97 100 Lu 0.66666666666667 0.83333333333333 0.16666666666667 174.967 > 97 101 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 > 101 102 Lu 0.50000000000000 0.00000000000000 0.00000000000000 174.967 > 101 103 Lu 0.00000000000000 0.50000000000000 0.00000000000000 174.967 > 101 104 Lu 0.50000000000000 0.50000000000000 0.00000000000000 174.967 > 101 105 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 97 106 Lu 0.50000000000000 0.00000000000000 0.50000000000000 174.967 > 97 107 Lu 0.00000000000000 0.50000000000000 0.50000000000000 174.967 > 97 108 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 > 97 109 Lu 0.33333333333333 0.16666666666667 0.33333333333333 174.967 > 101 110 Lu 0.83333333333333 0.16666666666667 0.33333333333333 174.967 > 101 111 Lu 0.33333333333333 0.66666666666667 0.33333333333333 174.967 > 101 112 Lu 0.83333333333333 0.66666666666667 0.33333333333333 174.967 > 101 113 Lu 0.33333333333333 0.16666666666667 0.83333333333333 174.967 > 97 114 Lu 0.83333333333333 0.16666666666667 0.83333333333333 174.967 > 97 115 Lu 0.33333333333333 0.66666666666667 0.83333333333333 174.967 > 97 116 Lu 0.83333333333333 0.66666666666667 0.83333333333333 174.967 > 97 117 Lu 0.16666666666667 0.33333333333333 0.66666666666667 174.967 > 101 118 Lu 0.66666666666667 0.33333333333333 0.66666666666667 174.967 > 101 119 Lu 0.16666666666667 0.83333333333333 0.66666666666667 174.967 > 101 120 Lu 0.66666666666667 0.83333333333333 0.66666666666667 174.967 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5276064 -0.0000000 0.0000000 0.0000000 3.5276064 0.0000000 0.0000000 0.0000000 3.1897112 -------------------------- Born effective charges -------------------------- 1 B 2.9330172 -0.0000000 -0.0000000 0.0000000 2.9330172 0.0000000 0.0000000 0.0000000 0.7462796 2 B 2.9330172 -0.0000000 -0.0000000 0.0000000 2.9330172 0.0000000 0.0000000 0.0000000 0.7462796 3 O -2.0510438 0.3754787 0.4791771 0.3754787 -2.4846093 0.2766530 0.4745440 0.2739781 -1.5704878 4 O -2.0510438 -0.3754787 -0.4791771 -0.3754787 -2.4846093 0.2766530 -0.4745440 0.2739781 -1.5704878 5 O -2.7013920 0.0000000 -0.0000000 0.0000000 -1.8342610 -0.5533060 0.0000000 -0.5479562 -1.5704878 6 O -2.0510438 0.3754787 0.4791771 0.3754787 -2.4846093 0.2766530 0.4745440 0.2739781 -1.5704878 7 O -2.0510438 -0.3754787 -0.4791771 -0.3754787 -2.4846093 0.2766530 -0.4745440 0.2739781 -1.5704878 8 O -2.7013920 0.0000000 -0.0000000 0.0000000 -1.8342610 -0.5533060 0.0000000 -0.5479562 -1.5704878 9 Lu 3.8704624 0.1235589 -0.0000000 -0.1235589 3.8704624 0.0000000 0.0000000 0.0000000 3.9651837 10 Lu 3.8704624 -0.1235589 -0.0000000 0.1235589 3.8704624 0.0000000 0.0000000 0.0000000 3.9651837 ---------------------------------------------------------------------------- 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[ 25, 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[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: -0.00000004 (yxy) -0.00000004 (yxy) -0.00000004 (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 22:25:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:25:54]------------------------- 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 2.440394659644980 1.408962513674952 5.308639959999994 b -2.440394659644975 1.408962513674952 5.308639959999994 c 0.000000000000002 -2.817925027349907 5.308639959999994 Atomic positions (fractional): 1 B 0.75000000000000 0.75000000000000 0.75000000000000 10.811 2 B 0.25000000000000 0.25000000000000 0.25000000000000 10.811 3 O 0.75000000000000 0.03357341030658 0.46642658969342 15.999 4 O 0.46642658969342 0.75000000000000 0.03357341030658 15.999 5 O 0.96642658969342 0.53357341030658 0.25000000000000 15.999 6 O 0.25000000000000 0.96642658969342 0.53357341030658 15.999 7 O 0.53357341030658 0.25000000000000 0.96642658969342 15.999 8 O 0.03357341030658 0.46642658969342 0.75000000000000 15.999 9 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 10 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.761578638579913 0.000000000000000 0.000000000000000 b -4.880789319289956 8.453775082049718 0.000000000000000 c 0.000000000000000 0.000000000000000 15.925919879999999 Atomic positions (fractional): 1 B 0.33333333333333 0.16666666666667 0.08333333333333 10.811 > 1 2 B 0.83333333333333 0.16666666666667 0.08333333333333 10.811 > 1 3 B 0.33333333333333 0.66666666666667 0.08333333333333 10.811 > 1 4 B 0.83333333333333 0.66666666666667 0.08333333333333 10.811 > 1 5 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 5 6 B 0.50000000000000 0.00000000000000 0.25000000000000 10.811 > 5 7 B 0.00000000000000 0.50000000000000 0.25000000000000 10.811 > 5 8 B 0.50000000000000 0.50000000000000 0.25000000000000 10.811 > 5 9 B 0.16666666666667 0.33333333333333 0.41666666666667 10.811 > 1 10 B 0.66666666666667 0.33333333333333 0.41666666666667 10.811 > 1 11 B 0.16666666666667 0.83333333333333 0.41666666666667 10.811 > 1 12 B 0.66666666666667 0.83333333333333 0.41666666666667 10.811 > 1 13 B 0.33333333333333 0.16666666666667 0.58333333333333 10.811 > 5 14 B 0.83333333333333 0.16666666666667 0.58333333333333 10.811 > 5 15 B 0.33333333333333 0.66666666666667 0.58333333333333 10.811 > 5 16 B 0.83333333333333 0.66666666666667 0.58333333333333 10.811 > 5 17 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 1 18 B 0.50000000000000 0.00000000000000 0.75000000000000 10.811 > 1 19 B 0.00000000000000 0.50000000000000 0.75000000000000 10.811 > 1 20 B 0.50000000000000 0.50000000000000 0.75000000000000 10.811 > 1 21 B 0.16666666666667 0.33333333333333 0.91666666666667 10.811 > 5 22 B 0.66666666666667 0.33333333333333 0.91666666666667 10.811 > 5 23 B 0.16666666666667 0.83333333333333 0.91666666666667 10.811 > 5 24 B 0.66666666666667 0.83333333333333 0.91666666666667 10.811 > 5 25 O 0.33333333333333 0.30845337181996 0.08333333333333 15.999 > 25 26 O 0.83333333333333 0.30845337181996 0.08333333333333 15.999 > 25 27 O 0.33333333333333 0.80845337181996 0.08333333333333 15.999 > 25 28 O 0.83333333333333 0.80845337181996 0.08333333333333 15.999 > 25 29 O 0.19154662818004 0.02487996151338 0.08333333333333 15.999 > 29 30 O 0.69154662818004 0.02487996151338 0.08333333333333 15.999 > 29 31 O 0.19154662818004 0.52487996151338 0.08333333333333 15.999 > 29 32 O 0.69154662818004 0.52487996151338 0.08333333333333 15.999 > 29 33 O 0.35821329484671 0.00000000000000 0.25000000000000 15.999 > 33 34 O 0.85821329484671 0.00000000000000 0.25000000000000 15.999 > 33 35 O 0.35821329484671 0.50000000000000 0.25000000000000 15.999 > 33 36 O 0.85821329484671 0.50000000000000 0.25000000000000 15.999 > 33 37 O 0.00000000000000 0.35821329484671 0.25000000000000 15.999 > 37 38 O 0.50000000000000 0.35821329484671 0.25000000000000 15.999 > 37 39 O 0.00000000000000 0.85821329484671 0.25000000000000 15.999 > 37 40 O 0.50000000000000 0.85821329484671 0.25000000000000 15.999 > 37 41 O 0.14178670515329 0.14178670515329 0.25000000000000 15.999 > 41 42 O 0.64178670515329 0.14178670515329 0.25000000000000 15.999 > 41 43 O 0.14178670515329 0.64178670515329 0.25000000000000 15.999 > 41 44 O 0.64178670515329 0.64178670515329 0.25000000000000 15.999 > 41 45 O 0.47512003848662 0.16666666666667 0.08333333333333 15.999 > 45 46 O 0.97512003848662 0.16666666666667 0.08333333333333 15.999 > 45 47 O 0.47512003848662 0.66666666666667 0.08333333333333 15.999 > 45 48 O 0.97512003848662 0.66666666666667 0.08333333333333 15.999 > 45 49 O 0.16666666666667 0.47512003848662 0.41666666666667 15.999 > 25 50 O 0.66666666666667 0.47512003848662 0.41666666666667 15.999 > 25 51 O 0.16666666666667 0.97512003848662 0.41666666666667 15.999 > 25 52 O 0.66666666666667 0.97512003848662 0.41666666666667 15.999 > 25 53 O 0.02487996151338 0.19154662818004 0.41666666666667 15.999 > 29 54 O 0.52487996151338 0.19154662818004 0.41666666666667 15.999 > 29 55 O 0.02487996151338 0.69154662818004 0.41666666666667 15.999 > 29 56 O 0.52487996151338 0.69154662818004 0.41666666666667 15.999 > 29 57 O 0.19154662818004 0.16666666666667 0.58333333333333 15.999 > 33 58 O 0.69154662818004 0.16666666666667 0.58333333333333 15.999 > 33 59 O 0.19154662818004 0.66666666666667 0.58333333333333 15.999 > 33 60 O 0.69154662818004 0.66666666666667 0.58333333333333 15.999 > 33 61 O 0.33333333333333 0.02487996151338 0.58333333333333 15.999 > 37 62 O 0.83333333333333 0.02487996151338 0.58333333333333 15.999 > 37 63 O 0.33333333333333 0.52487996151338 0.58333333333333 15.999 > 37 64 O 0.83333333333333 0.52487996151338 0.58333333333333 15.999 > 37 65 O 0.47512003848662 0.30845337181996 0.58333333333333 15.999 > 41 66 O 0.97512003848662 0.30845337181996 0.58333333333333 15.999 > 41 67 O 0.47512003848662 0.80845337181996 0.58333333333333 15.999 > 41 68 O 0.97512003848662 0.80845337181996 0.58333333333333 15.999 > 41 69 O 0.30845337181996 0.33333333333333 0.41666666666667 15.999 > 45 70 O 0.80845337181996 0.33333333333333 0.41666666666667 15.999 > 45 71 O 0.30845337181996 0.83333333333333 0.41666666666667 15.999 > 45 72 O 0.80845337181996 0.83333333333333 0.41666666666667 15.999 > 45 73 O 0.00000000000000 0.14178670515329 0.75000000000000 15.999 > 25 74 O 0.50000000000000 0.14178670515329 0.75000000000000 15.999 > 25 75 O 0.00000000000000 0.64178670515329 0.75000000000000 15.999 > 25 76 O 0.50000000000000 0.64178670515329 0.75000000000000 15.999 > 25 77 O 0.35821329484671 0.35821329484671 0.75000000000000 15.999 > 29 78 O 0.85821329484671 0.35821329484671 0.75000000000000 15.999 > 29 79 O 0.35821329484671 0.85821329484671 0.75000000000000 15.999 > 29 80 O 0.85821329484671 0.85821329484671 0.75000000000000 15.999 > 29 81 O 0.02487996151338 0.33333333333333 0.91666666666667 15.999 > 33 82 O 0.52487996151338 0.33333333333333 0.91666666666667 15.999 > 33 83 O 0.02487996151338 0.83333333333333 0.91666666666667 15.999 > 33 84 O 0.52487996151338 0.83333333333333 0.91666666666667 15.999 > 33 85 O 0.16666666666667 0.19154662818004 0.91666666666667 15.999 > 37 86 O 0.66666666666667 0.19154662818004 0.91666666666667 15.999 > 37 87 O 0.16666666666667 0.69154662818004 0.91666666666667 15.999 > 37 88 O 0.66666666666667 0.69154662818004 0.91666666666667 15.999 > 37 89 O 0.30845337181996 0.47512003848662 0.91666666666667 15.999 > 41 90 O 0.80845337181996 0.47512003848662 0.91666666666667 15.999 > 41 91 O 0.30845337181996 0.97512003848662 0.91666666666667 15.999 > 41 92 O 0.80845337181996 0.97512003848662 0.91666666666667 15.999 > 41 93 O 0.14178670515329 0.00000000000000 0.75000000000000 15.999 > 45 94 O 0.64178670515329 0.00000000000000 0.75000000000000 15.999 > 45 95 O 0.14178670515329 0.50000000000000 0.75000000000000 15.999 > 45 96 O 0.64178670515329 0.50000000000000 0.75000000000000 15.999 > 45 97 Lu 0.16666666666667 0.33333333333333 0.16666666666667 174.967 > 97 98 Lu 0.66666666666667 0.33333333333333 0.16666666666667 174.967 > 97 99 Lu 0.16666666666667 0.83333333333333 0.16666666666667 174.967 > 97 100 Lu 0.66666666666667 0.83333333333333 0.16666666666667 174.967 > 97 101 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 > 101 102 Lu 0.50000000000000 0.00000000000000 0.00000000000000 174.967 > 101 103 Lu 0.00000000000000 0.50000000000000 0.00000000000000 174.967 > 101 104 Lu 0.50000000000000 0.50000000000000 0.00000000000000 174.967 > 101 105 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 97 106 Lu 0.50000000000000 0.00000000000000 0.50000000000000 174.967 > 97 107 Lu 0.00000000000000 0.50000000000000 0.50000000000000 174.967 > 97 108 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 > 97 109 Lu 0.33333333333333 0.16666666666667 0.33333333333333 174.967 > 101 110 Lu 0.83333333333333 0.16666666666667 0.33333333333333 174.967 > 101 111 Lu 0.33333333333333 0.66666666666667 0.33333333333333 174.967 > 101 112 Lu 0.83333333333333 0.66666666666667 0.33333333333333 174.967 > 101 113 Lu 0.33333333333333 0.16666666666667 0.83333333333333 174.967 > 97 114 Lu 0.83333333333333 0.16666666666667 0.83333333333333 174.967 > 97 115 Lu 0.33333333333333 0.66666666666667 0.83333333333333 174.967 > 97 116 Lu 0.83333333333333 0.66666666666667 0.83333333333333 174.967 > 97 117 Lu 0.16666666666667 0.33333333333333 0.66666666666667 174.967 > 101 118 Lu 0.66666666666667 0.33333333333333 0.66666666666667 174.967 > 101 119 Lu 0.16666666666667 0.83333333333333 0.66666666666667 174.967 > 101 120 Lu 0.66666666666667 0.83333333333333 0.66666666666667 174.967 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5276064 -0.0000000 0.0000000 0.0000000 3.5276064 0.0000000 0.0000000 0.0000000 3.1897112 -------------------------- Born effective charges -------------------------- 1 B 2.9330172 -0.0000000 -0.0000000 0.0000000 2.9330172 0.0000000 0.0000000 0.0000000 0.7462796 2 B 2.9330172 -0.0000000 -0.0000000 0.0000000 2.9330172 0.0000000 0.0000000 0.0000000 0.7462796 3 O -2.0510438 0.3754787 0.4791771 0.3754787 -2.4846093 0.2766530 0.4745440 0.2739781 -1.5704878 4 O -2.0510438 -0.3754787 -0.4791771 -0.3754787 -2.4846093 0.2766530 -0.4745440 0.2739781 -1.5704878 5 O -2.7013920 0.0000000 -0.0000000 0.0000000 -1.8342610 -0.5533060 0.0000000 -0.5479562 -1.5704878 6 O -2.0510438 0.3754787 0.4791771 0.3754787 -2.4846093 0.2766530 0.4745440 0.2739781 -1.5704878 7 O -2.0510438 -0.3754787 -0.4791771 -0.3754787 -2.4846093 0.2766530 -0.4745440 0.2739781 -1.5704878 8 O -2.7013920 0.0000000 -0.0000000 0.0000000 -1.8342610 -0.5533060 0.0000000 -0.5479562 -1.5704878 9 Lu 3.8704624 0.1235589 -0.0000000 -0.1235589 3.8704624 0.0000000 0.0000000 0.0000000 3.9651837 10 Lu 3.8704624 -0.1235589 -0.0000000 0.1235589 3.8704624 0.0000000 0.0000000 0.0000000 3.9651837 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (yxy) -0.00000004 (yxy) -0.00000004 (yyx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 12 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.87, Number of G-points: 309, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/189) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 3.060 ( 0.000 0.000 0.000) 0.000 3.060 ( 0.000 0.000 0.000) 0.000 4.748 ( 0.000 0.000 0.000) 0.000 5.158 ( 0.000 0.000 0.000) 0.000 5.158 ( 0.000 0.000 0.000) 0.000 5.714 ( 0.000 0.000 0.000) 0.000 6.679 ( 0.000 0.000 0.000) 0.000 6.679 ( 0.000 0.000 0.000) 0.000 7.995 ( 0.000 0.000 0.000) 0.000 8.992 ( 0.000 0.000 0.000) 0.000 8.992 ( 0.000 0.000 0.000) 0.000 9.704 ( 0.000 0.000 0.000) 0.000 11.840 ( 0.000 0.000 0.000) 0.000 11.840 ( 0.000 0.000 0.000) 0.000 13.935 ( 0.000 0.000 0.000) 0.000 17.989 ( 0.000 0.000 0.000) 0.000 17.989 ( 0.000 0.000 0.000) 0.000 18.464 ( 0.000 0.000 0.000) 0.000 18.464 ( 0.000 0.000 0.000) 0.000 20.504 ( 0.000 0.000 0.000) 0.000 21.501 ( 0.000 0.000 0.000) 0.000 27.385 ( 0.000 0.000 0.000) 0.000 27.555 ( 0.000 0.000 0.000) 0.000 36.175 ( 0.000 0.000 0.000) 0.000 36.175 ( 0.000 0.000 0.000) 0.000 37.042 ( 0.000 0.000 0.000) 0.000 37.042 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/189) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 24.827 14.334 3.408) 28.869 0.666 ( 28.780 16.616 -1.074) 33.250 1.333 ( 52.869 30.524 15.472) 62.978 3.037 ( -1.107 -0.639 -3.061) 3.317 3.307 ( 3.968 2.291 -3.163) 5.568 4.754 ( -4.234 -2.445 11.204) 12.224 5.135 ( -2.260 -1.305 0.381) 2.637 5.623 ( -7.514 -4.338 -1.113) 8.747 6.095 ( 2.033 1.174 6.831) 7.224 6.735 ( 4.937 2.850 -0.669) 5.740 6.799 ( 10.227 5.905 -1.266) 11.877 7.951 ( -3.220 -1.859 -1.024) 3.857 9.088 ( 7.540 4.353 2.148) 8.967 9.740 ( 9.949 5.744 -12.854) 17.240 11.749 ( -7.098 -4.098 -2.974) 8.719 11.764 ( -8.331 -4.810 12.994) 16.167 11.835 ( -3.828 -2.210 -0.601) 4.461 13.754 ( -14.813 -8.553 -0.890) 17.128 18.084 ( 7.072 4.083 1.821) 8.366 18.273 ( -2.793 -1.613 -11.869) 12.299 18.441 ( -2.115 -1.221 1.397) 2.814 18.448 ( -0.564 -0.326 -3.482) 3.542 20.632 ( -7.364 -4.251 38.432) 39.361 21.476 ( -2.374 -1.371 0.776) 2.849 27.389 ( 0.276 0.159 0.048) 0.322 27.570 ( 1.383 0.799 -0.614) 1.711 36.263 ( 6.874 3.969 2.648) 8.368 37.035 ( -0.026 -0.015 -2.253) 2.253 37.064 ( 1.704 0.984 1.399) 2.414 40.477 ( 16.698 9.641 -88.750) 90.820 ======================= Grid point 2 (3/189) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 23.132 13.355 3.800) 26.980 1.285 ( 25.573 14.765 0.347) 29.532 2.508 ( 42.664 24.632 9.414) 50.156 3.000 ( 0.247 0.143 -4.757) 4.765 3.404 ( 5.358 3.094 1.205) 6.303 4.703 ( -4.624 -2.670 9.050) 10.508 5.038 ( -6.542 -3.777 -3.050) 8.146 5.389 ( -12.056 -6.961 1.936) 14.055 6.229 ( 5.997 3.462 10.113) 12.257 6.884 ( 7.564 4.367 1.035) 8.796 7.089 ( 15.068 8.700 -2.778) 17.620 7.860 ( -3.689 -2.130 -2.114) 4.755 9.336 ( 12.348 7.129 4.371) 14.914 9.950 ( 11.343 6.549 -2.181) 13.278 11.504 ( -12.004 -6.931 -4.888) 14.698 11.616 ( -9.278 -5.357 4.709) 11.703 11.696 ( -6.203 -3.581 -2.736) 7.667 13.311 ( -22.452 -12.963 0.097) 25.926 18.101 ( -7.338 -4.237 -7.953) 11.621 18.230 ( 0.301 0.174 4.081) 4.095 18.412 ( -0.545 -0.315 -3.913) 3.963 18.439 ( 4.692 2.709 0.104) 5.418 20.677 ( -1.603 -0.925 17.397) 17.496 21.400 ( -4.742 -2.738 1.057) 5.576 27.398 ( 0.692 0.400 -0.370) 0.881 27.605 ( 1.921 1.109 -1.053) 2.456 36.491 ( 10.802 6.236 4.131) 13.139 37.022 ( 0.360 0.208 -3.828) 3.850 37.148 ( 4.780 2.760 4.659) 7.223 40.345 ( 2.673 1.543 -46.280) 46.383 ======================= Grid point 3 (4/189) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 21.384 12.346 5.040) 25.201 1.832 ( 21.842 12.611 2.765) 25.373 3.022 ( 4.043 2.334 -3.947) 6.113 3.178 ( 10.876 6.279 -1.477) 12.644 3.683 ( 20.123 11.618 2.241) 23.344 4.657 ( -3.494 -2.017 11.847) 12.515 4.761 ( -14.846 -8.572 -9.151) 19.433 5.151 ( -10.797 -6.234 7.696) 14.652 6.473 ( 10.316 5.956 11.322) 16.434 7.065 ( 6.782 3.916 3.632) 8.633 7.405 ( 13.462 7.772 -4.783) 16.264 7.770 ( -2.895 -1.671 -3.421) 4.783 9.677 ( 14.621 8.442 6.688) 18.160 10.204 ( 10.759 6.212 0.471) 12.432 11.182 ( -13.273 -7.663 -4.958) 16.108 11.363 ( -11.847 -6.840 -6.000) 14.938 11.597 ( -2.366 -1.366 2.866) 3.960 12.794 ( -22.467 -12.971 2.542) 26.067 17.877 ( -8.301 -4.793 -7.650) 12.264 18.136 ( -8.419 -4.861 5.304) 11.074 18.399 ( 1.016 0.586 -1.699) 2.065 18.624 ( 9.228 5.328 -2.644) 10.979 20.735 ( 0.367 0.212 9.486) 9.495 21.274 ( -6.562 -3.789 0.885) 7.629 27.419 ( 1.503 0.868 -1.142) 2.077 27.639 ( 1.359 0.785 -1.068) 1.898 36.748 ( 8.951 5.168 3.436) 10.892 37.016 ( 1.095 0.632 -4.479) 4.654 37.361 ( 10.980 6.339 10.805) 16.658 40.110 ( -5.028 -2.903 -33.852) 34.346 ======================= Grid point 4 (5/189) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 20.030 11.564 7.530) 24.323 2.316 ( 19.092 11.023 4.359) 22.473 3.142 ( 7.140 4.123 -0.420) 8.256 3.231 ( -1.479 -0.854 -1.958) 2.599 4.034 ( 9.347 5.397 -13.443) 17.240 4.321 ( -18.792 -10.850 -7.375) 22.918 4.704 ( 0.437 0.252 17.375) 17.383 4.957 ( -9.488 -5.478 5.827) 12.409 6.803 ( 12.918 7.458 11.804) 19.022 7.218 ( 4.672 2.697 5.503) 7.707 7.613 ( 6.610 3.817 -7.000) 10.357 7.690 ( -2.041 -1.178 -5.278) 5.780 10.048 ( 13.893 8.021 8.430) 18.122 10.421 ( 7.764 4.483 -0.663) 8.990 10.881 ( -10.752 -6.208 -2.953) 12.762 11.062 ( -10.658 -6.154 -7.090) 14.204 11.610 ( 2.443 1.410 0.951) 2.976 12.352 ( -17.644 -10.186 4.907) 20.956 17.669 ( -5.877 -3.393 -7.451) 10.078 17.943 ( -10.569 -6.102 5.416) 13.352 18.450 ( 3.413 1.970 2.257) 4.542 18.776 ( 5.561 3.211 -5.792) 8.648 20.789 ( 1.083 0.625 4.848) 5.007 21.122 ( -6.863 -3.962 0.754) 7.960 27.457 ( 2.590 1.495 -1.756) 3.468 27.651 ( -0.020 -0.012 -0.526) 0.527 36.918 ( 4.741 2.737 2.964) 6.225 37.025 ( 1.664 0.961 -4.428) 4.827 37.755 ( 16.631 9.602 16.752) 25.484 39.762 ( -10.946 -6.320 -29.018) 31.651 ======================= Grid point 5 (6/189) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( 18.306 10.569 11.625) 24.124 2.728 ( 14.922 8.615 1.751) 17.319 3.150 ( -4.498 -2.597 -1.366) 5.371 3.299 ( 4.485 2.589 -1.386) 5.361 3.895 ( -15.638 -9.029 6.419) 19.165 4.018 ( 0.032 0.018 -24.088) 24.088 4.768 ( -3.279 -1.893 14.506) 14.992 4.798 ( -5.004 -2.889 -0.753) 5.826 7.160 ( 12.353 7.132 11.595) 18.382 7.350 ( 4.300 2.483 7.179) 8.729 7.582 ( -3.648 -2.106 -5.059) 6.583 7.651 ( -0.658 -0.380 -11.135) 11.161 10.366 ( 9.527 5.500 7.383) 13.248 10.526 ( 1.964 1.134 -2.423) 3.319 10.689 ( -5.128 -2.960 1.753) 6.175 10.835 ( -5.656 -3.265 -7.523) 9.962 11.705 ( 5.750 3.320 -1.582) 6.825 12.046 ( -11.892 -6.866 5.581) 14.823 17.554 ( -0.557 -0.322 -6.711) 6.742 17.733 ( -9.788 -5.651 5.385) 12.520 18.571 ( 4.908 2.834 6.339) 8.503 18.806 ( 0.347 0.200 -8.377) 8.387 20.837 ( 1.689 0.975 1.733) 2.608 20.985 ( -5.295 -3.057 0.753) 6.161 27.516 ( 3.282 1.895 -1.827) 4.207 27.631 ( -1.687 -0.974 0.394) 1.987 37.007 ( 1.826 1.054 3.374) 3.978 37.040 ( 1.488 0.859 -4.086) 4.432 38.261 ( 18.548 10.708 21.033) 30.018 39.315 ( -15.345 -8.860 -26.550) 31.920 ======================= Grid point 6 (7/189) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( -7.967 -4.600 3.353) 9.791 2.991 ( 7.967 4.600 -3.353) 9.791 3.140 ( -13.075 -7.549 -11.697) 19.098 3.140 ( 13.075 7.549 11.697) 19.098 3.848 ( -0.667 -0.385 -29.273) 29.283 3.848 ( 0.667 0.385 29.273) 29.283 4.744 ( 2.468 1.425 -8.996) 9.437 4.744 ( -2.468 -1.425 8.996) 9.437 7.441 ( -6.970 -4.024 -6.802) 10.537 7.441 ( 6.970 4.024 6.802) 10.537 7.506 ( -5.388 -3.111 -11.761) 13.305 7.506 ( 5.388 3.111 11.761) 13.305 10.512 ( -1.802 -1.040 -1.512) 2.572 10.512 ( 1.802 1.040 1.512) 2.572 10.700 ( -2.663 -1.537 -9.356) 9.848 10.700 ( 2.663 1.537 9.356) 9.848 11.848 ( -8.147 -4.703 4.067) 10.249 11.848 ( 8.147 4.703 -4.067) 10.249 17.581 ( 5.620 3.245 -5.811) 8.711 17.581 ( -5.620 -3.245 5.811) 8.711 18.716 ( -3.762 -2.172 -8.738) 9.758 18.716 ( 3.762 2.172 8.738) 9.758 20.893 ( -3.092 -1.785 0.125) 3.572 20.893 ( 3.092 1.785 -0.125) 3.572 27.581 ( -2.968 -1.714 1.302) 3.666 27.581 ( 2.968 1.714 -1.302) 3.666 37.042 ( 0.282 0.163 -3.740) 3.754 37.042 ( -0.282 -0.163 3.740) 3.754 38.799 ( -17.948 -10.363 -24.209) 31.868 38.799 ( 17.948 10.363 24.209) 31.868 ======================= Grid point 14 (8/189) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -0.000 27.730 15.583) 31.808 0.836 ( -0.000 30.207 18.544) 35.445 1.291 ( -0.000 56.396 13.304) 57.944 3.096 ( -0.000 0.960 4.220) 4.328 3.246 ( 0.000 6.066 -9.222) 11.038 4.848 ( -0.000 -8.219 18.352) 20.108 5.146 ( -0.000 -2.096 1.830) 2.783 5.609 ( 0.000 -8.771 -2.788) 9.203 6.067 ( -0.000 -0.969 4.092) 4.205 6.715 ( -0.000 4.881 -3.163) 5.817 6.798 ( -0.000 12.291 -1.428) 12.373 7.944 ( 0.000 -3.607 -1.939) 4.095 9.106 ( -0.000 8.482 4.554) 9.627 9.612 ( 0.000 16.527 -19.336) 25.437 11.725 ( 0.000 -7.319 -1.284) 7.431 11.755 ( 0.000 -7.392 -2.194) 7.711 12.034 ( -0.000 -8.688 22.964) 24.553 13.742 ( 0.000 -17.471 -2.480) 17.647 18.061 ( -0.000 6.770 -1.208) 6.877 18.249 ( 0.000 5.117 -12.934) 13.909 18.411 ( 0.000 -3.346 -2.320) 4.071 18.436 ( 0.000 -2.931 0.150) 2.935 20.889 ( -0.000 -28.856 55.870) 62.882 21.483 ( 0.000 -2.756 1.606) 3.190 27.391 ( -0.000 0.473 0.325) 0.574 27.565 ( 0.000 1.508 -1.123) 1.880 36.234 ( -0.000 6.381 -1.002) 6.459 37.031 ( 0.000 0.419 -2.769) 2.801 37.057 ( -0.000 1.222 0.459) 1.305 39.917 ( 0.000 66.494 -126.661) 143.054 ======================= Grid point 15 (9/189) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 3.439 21.778 16.875) 27.765 1.279 ( 9.025 28.763 5.819) 30.702 2.235 ( 31.587 40.731 11.993) 52.921 3.035 ( -5.600 1.980 -0.770) 5.990 3.349 ( 6.351 4.338 -2.326) 8.035 4.816 ( -4.834 -4.566 14.772) 16.199 5.093 ( -4.642 -3.411 0.028) 5.761 5.444 ( -5.107 -11.597 -0.624) 12.687 6.205 ( 9.423 1.860 7.603) 12.250 6.707 ( 2.406 2.372 -1.776) 3.817 7.076 ( 10.199 17.636 -3.521) 20.674 7.872 ( -2.319 -3.530 -2.789) 5.061 9.280 ( 6.154 9.992 6.224) 13.283 9.799 ( 11.311 10.616 -8.340) 17.612 11.546 ( -7.545 -9.156 -3.032) 12.245 11.680 ( -0.641 -7.551 -4.152) 8.641 11.891 ( -16.513 -4.220 15.102) 22.771 13.423 ( -11.222 -22.136 -2.294) 24.924 18.141 ( -3.155 -4.596 -3.175) 6.416 18.163 ( 0.236 2.320 -4.301) 4.893 18.409 ( 1.209 -1.829 0.045) 2.193 18.417 ( 2.399 3.438 -3.842) 5.686 20.831 ( -5.832 -10.065 28.587) 30.863 21.436 ( -2.547 -4.165 1.929) 5.249 27.400 ( 0.025 0.992 0.232) 1.019 27.586 ( 1.218 1.849 -1.660) 2.767 36.399 ( 9.469 7.519 1.153) 12.146 37.010 ( -0.600 0.867 -4.061) 4.196 37.113 ( 3.996 2.109 2.251) 5.048 40.016 ( 9.347 25.202 -69.146) 74.187 ======================= Grid point 16 (10/189) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 15.137 14.941 9.632) 23.348 1.738 ( 12.813 19.278 6.324) 23.996 2.914 ( 4.165 3.773 -3.428) 6.583 3.127 ( 13.249 18.627 2.203) 22.965 3.543 ( 11.957 10.640 0.480) 16.013 4.776 ( -4.324 -2.331 15.699) 16.449 4.877 ( -12.605 -7.508 -6.312) 15.972 5.255 ( -5.933 -9.759 6.437) 13.109 6.450 ( 8.483 6.728 10.021) 14.753 6.844 ( 12.846 -2.016 0.168) 13.005 7.393 ( 7.368 18.589 -4.365) 20.467 7.782 ( -2.709 -2.112 -3.648) 5.011 9.569 ( 11.679 9.642 7.830) 17.049 10.064 ( 12.202 7.643 -4.392) 15.053 11.277 ( -10.543 -8.958 -5.679) 14.955 11.505 ( -10.523 -6.452 -3.491) 12.828 11.663 ( -9.539 -3.941 9.400) 13.960 12.958 ( -15.561 -21.941 0.035) 26.899 17.931 ( -8.563 -6.167 -5.475) 11.888 18.148 ( -0.603 -8.142 3.615) 8.928 18.381 ( 0.625 0.107 -6.044) 6.077 18.573 ( 5.583 9.897 -0.977) 11.405 20.811 ( -2.735 -3.089 15.075) 15.630 21.334 ( -4.870 -5.305 1.602) 7.378 27.414 ( 0.159 1.666 -0.351) 1.710 27.620 ( 1.522 1.771 -1.845) 2.976 36.661 ( 10.254 6.850 2.365) 12.557 36.994 ( 0.128 1.621 -4.923) 5.185 37.282 ( 10.041 4.513 7.230) 13.171 39.958 ( -0.313 8.031 -43.922) 44.651 ======================= Grid point 17 (11/189) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 20.725 10.695 4.590) 23.769 2.162 ( 14.970 10.429 9.803) 20.711 2.940 ( 5.166 -4.609 -4.296) 8.148 3.362 ( 0.615 11.660 -1.534) 11.777 3.890 ( 10.231 10.342 -8.181) 16.690 4.492 ( -17.074 -9.341 -6.772) 20.607 4.817 ( -1.083 1.485 19.055) 19.143 5.092 ( -8.367 -7.432 8.185) 13.865 6.736 ( 10.496 7.882 10.203) 16.624 7.056 ( 13.150 -3.682 2.500) 13.882 7.619 ( 2.405 14.696 -5.787) 15.977 7.703 ( -2.733 -0.188 -4.421) 5.202 9.931 ( 14.178 8.873 8.780) 18.890 10.297 ( 10.178 4.503 -4.262) 11.917 10.971 ( -10.597 -8.477 -6.391) 15.000 11.214 ( -14.680 -2.282 -2.767) 15.112 11.587 ( -0.329 -3.903 5.529) 6.776 12.504 ( -14.114 -18.929 3.096) 23.814 17.701 ( -7.372 -5.505 -5.625) 10.784 18.030 ( -5.727 -9.597 5.830) 12.606 18.402 ( 4.357 1.656 -3.727) 5.969 18.733 ( 3.342 8.093 -3.567) 9.454 20.822 ( -0.969 -0.822 7.976) 8.077 21.191 ( -6.047 -5.569 1.107) 8.295 27.439 ( 0.965 2.468 -1.005) 2.834 27.647 ( 0.738 1.262 -1.448) 2.057 36.872 ( 6.471 4.054 2.408) 8.006 36.997 ( 0.902 2.364 -4.896) 5.512 37.634 ( 17.192 7.936 13.166) 23.062 39.719 ( -8.163 -0.015 -33.302) 34.288 ======================= Grid point 18 (12/189) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 22.481 5.774 -0.300) 23.213 2.559 ( 15.681 5.383 13.604) 21.446 2.940 ( 6.392 -11.625 -4.751) 14.092 3.456 ( -3.777 12.073 -2.272) 12.852 3.957 ( -1.180 4.907 -14.209) 15.079 4.105 ( -14.356 -5.132 -2.005) 15.377 4.875 ( -5.611 -4.391 9.236) 11.665 4.932 ( -7.425 -0.952 12.725) 14.763 7.054 ( 12.248 4.995 9.061) 16.033 7.229 ( 9.914 -4.451 3.764) 11.500 7.636 ( -3.851 3.050 -4.015) 6.345 7.699 ( -3.039 9.550 -7.374) 12.442 10.287 ( 11.840 7.685 6.731) 15.638 10.446 ( 6.486 1.691 -3.966) 7.788 10.720 ( -5.422 -6.751 -4.713) 9.858 10.956 ( -12.639 0.753 -3.357) 13.099 11.617 ( 4.546 -2.798 3.024) 6.134 12.152 ( -9.788 -15.337 5.361) 18.968 17.536 ( -3.256 -2.642 -5.442) 6.870 17.844 ( -8.156 -8.535 5.097) 12.859 18.521 ( 7.273 2.647 1.478) 7.879 18.793 ( -0.798 4.376 -5.975) 7.448 20.841 ( 0.046 0.055 3.586) 3.587 21.045 ( -5.456 -4.573 0.897) 7.175 27.487 ( 2.012 3.142 -1.311) 3.955 27.650 ( -0.754 0.431 -0.525) 1.015 36.994 ( 3.104 1.910 1.728) 4.033 37.018 ( 1.246 2.630 -3.053) 4.218 38.131 ( 20.679 9.602 17.426) 28.696 39.343 ( -13.814 -4.899 -28.144) 31.732 ======================= Grid point 19 (13/189) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( 14.561 -6.680 -5.147) 16.827 2.860 ( 6.863 -17.332 1.033) 18.670 3.013 ( 17.849 10.489 8.399) 22.341 3.303 ( -16.128 -2.661 -7.044) 17.799 3.849 ( -8.457 9.422 -23.363) 26.573 4.048 ( 0.350 8.455 18.332) 20.191 4.733 ( -4.714 -2.466 -1.394) 5.499 4.874 ( -7.409 -2.376 12.818) 14.995 7.274 ( 7.835 -4.430 -0.321) 9.007 7.329 ( 4.884 -7.203 2.490) 9.052 7.626 ( -2.624 9.810 -0.292) 10.159 7.658 ( -5.903 8.013 -2.268) 10.208 10.471 ( 3.820 1.869 -4.619) 6.279 10.528 ( -0.364 2.560 -0.906) 2.740 10.660 ( 4.033 -0.420 -0.563) 4.093 10.767 ( -7.158 -0.108 0.618) 7.186 11.705 ( 7.826 -2.413 -0.212) 8.193 11.913 ( -6.050 -12.464 5.861) 15.043 17.494 ( 2.729 0.850 -5.240) 5.969 17.665 ( -6.377 -6.213 4.831) 10.129 18.685 ( 5.019 2.328 -0.038) 5.532 18.746 ( -2.531 1.588 -1.407) 3.303 20.867 ( 1.461 0.753 0.840) 1.846 20.932 ( -3.851 -2.898 0.616) 4.859 27.551 ( 2.440 3.228 -1.201) 4.221 27.624 ( -2.364 -0.380 0.629) 2.476 37.026 ( 0.404 1.756 -3.474) 3.914 37.065 ( 0.643 1.023 3.317) 3.530 38.686 ( 21.020 9.667 19.811) 30.459 38.873 ( -17.126 -7.794 -24.352) 30.774 ======================= Grid point 20 (14/189) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 0.821 -19.102 -13.576) 23.449 2.848 ( -10.877 -11.611 -0.784) 15.929 2.955 ( 1.535 -8.703 -1.721) 9.003 3.449 ( 7.670 9.724 10.401) 16.173 3.734 ( 2.285 13.592 -19.908) 24.214 4.232 ( -3.835 6.354 24.234) 25.345 4.688 ( 1.617 3.306 -10.175) 10.820 4.815 ( -2.737 -0.696 8.275) 8.744 7.180 ( -5.656 -8.744 -10.089) 14.500 7.290 ( -0.207 -7.388 -2.875) 7.930 7.636 ( -2.155 6.973 2.070) 7.586 7.762 ( -0.402 8.227 8.223) 11.639 10.439 ( -7.753 -1.617 -8.476) 11.600 10.527 ( 0.496 -0.146 -0.342) 0.619 10.622 ( 2.810 0.978 -2.923) 4.171 10.845 ( 3.741 4.384 7.014) 9.078 11.743 ( -3.977 -10.225 4.468) 11.846 11.844 ( 11.559 -1.162 -2.721) 11.932 17.571 ( 2.488 -1.162 0.662) 2.825 17.591 ( 4.712 1.005 -0.717) 4.871 18.601 ( -5.124 -0.940 -6.651) 8.448 18.852 ( 2.152 2.379 7.912) 8.537 20.857 ( -2.702 -1.623 -0.360) 3.173 20.924 ( 3.954 1.679 -0.432) 4.318 27.569 ( -3.180 -0.867 0.971) 3.436 27.617 ( 1.597 2.655 -0.186) 3.103 37.014 ( -1.356 0.508 -2.891) 3.233 37.085 ( -1.150 0.544 3.753) 3.963 38.359 ( -18.370 -9.294 -21.292) 29.617 39.238 ( 19.385 8.971 21.340) 30.194 ======================= Grid point 21 (15/189) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -8.271 -13.272 -12.947) 20.302 2.391 ( -17.362 -16.710 -3.220) 24.311 2.991 ( 6.359 -8.576 1.091) 10.732 3.465 ( -10.072 10.822 -1.830) 14.896 4.095 ( 19.519 8.599 4.794) 21.861 4.284 ( -7.147 2.849 18.192) 19.752 4.656 ( -2.736 2.427 -14.555) 15.007 4.865 ( 3.802 2.767 1.239) 4.862 6.888 ( -11.577 -6.697 -11.102) 17.382 7.173 ( -2.162 -7.998 -3.548) 9.013 7.694 ( 0.256 3.750 3.222) 4.950 7.812 ( -6.381 4.792 6.701) 10.421 10.160 ( -13.137 -6.193 -8.373) 16.764 10.485 ( -4.290 -3.148 -0.212) 5.325 10.768 ( 10.035 4.645 0.894) 11.094 11.020 ( 6.765 8.078 5.051) 11.685 11.614 ( -2.460 -8.038 2.954) 8.910 12.077 ( 17.809 1.940 -4.017) 18.360 17.628 ( 5.157 -0.118 6.137) 8.017 17.754 ( 11.371 2.184 -6.021) 13.050 18.487 ( -4.042 -0.119 -2.911) 4.983 18.888 ( -4.261 0.603 5.933) 7.329 20.795 ( -2.523 -1.068 -2.043) 3.417 21.033 ( 6.605 2.429 -0.556) 7.060 27.509 ( -3.422 -0.843 1.454) 3.812 27.657 ( 0.397 1.661 0.212) 1.721 36.957 ( -3.644 -0.967 -2.181) 4.355 37.082 ( -2.206 0.667 4.209) 4.798 37.857 ( -17.379 -9.149 -17.279) 26.159 39.735 ( 16.166 7.362 21.002) 27.506 ======================= Grid point 22 (16/189) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -21.058 -12.893 -2.768) 24.846 2.022 ( -11.270 -10.514 -7.124) 16.980 2.999 ( 1.962 -5.364 2.821) 6.371 3.389 ( -9.691 6.394 0.752) 11.635 4.011 ( -26.175 -5.591 5.389) 27.303 4.575 ( 1.689 1.545 -9.078) 9.362 4.612 ( 19.321 8.854 7.444) 22.519 4.983 ( 7.586 2.492 -4.813) 9.323 6.573 ( -12.469 -3.336 -9.669) 16.128 7.020 ( -3.448 -10.386 -2.236) 11.170 7.688 ( -13.130 4.196 2.844) 14.075 7.764 ( 0.360 1.087 3.253) 3.448 9.815 ( -14.574 -7.081 -5.771) 17.200 10.322 ( -9.565 -3.456 -1.789) 10.327 11.037 ( 13.611 5.843 2.095) 14.960 11.282 ( 10.463 7.486 6.422) 14.379 11.546 ( 1.258 -4.364 0.212) 4.546 12.454 ( 24.483 4.679 -2.996) 25.105 17.798 ( 9.277 1.581 6.527) 11.452 17.933 ( 11.947 -0.423 -6.274) 13.501 18.440 ( -1.894 1.999 0.607) 2.820 18.783 ( -10.061 -0.969 2.761) 10.478 20.724 ( -2.868 -0.873 -3.961) 4.968 21.179 ( 7.581 2.313 -0.405) 7.936 27.456 ( -2.705 -0.410 1.143) 2.965 27.663 ( -1.111 0.562 0.551) 1.362 36.839 ( -7.500 -2.365 -1.794) 8.067 37.073 ( -2.470 1.025 4.679) 5.390 37.431 ( -12.957 -7.137 -12.457) 19.339 40.147 ( 12.214 5.186 19.566) 23.641 ======================= Grid point 23 (17/189) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -22.661 -10.528 -1.071) 25.010 1.670 ( -20.113 -3.098 -1.641) 20.416 2.989 ( -7.681 -1.946 5.485) 9.637 3.088 ( -29.422 -4.558 -3.639) 29.995 3.526 ( -15.035 -1.333 -1.472) 15.166 4.615 ( 4.223 1.142 -3.565) 5.643 4.982 ( 7.889 4.357 6.605) 11.173 5.157 ( 16.731 1.398 -5.633) 17.709 6.312 ( -10.677 -0.315 -6.567) 12.539 6.840 ( -4.132 -9.858 -0.511) 10.702 7.438 ( -20.008 2.837 1.325) 20.252 7.821 ( 3.203 0.700 1.234) 3.503 9.485 ( -14.048 -4.632 -2.716) 15.039 10.098 ( -11.625 -2.487 -1.293) 11.958 11.328 ( 13.251 2.532 1.842) 13.616 11.557 ( 9.954 4.749 4.820) 12.036 11.591 ( 6.912 0.557 -1.333) 7.061 12.949 ( 28.165 4.506 -1.064) 28.543 18.019 ( 10.269 1.606 5.609) 11.811 18.082 ( 9.991 -1.851 -4.647) 11.174 18.454 ( -0.463 2.477 1.839) 3.120 18.578 ( -12.445 -1.277 0.052) 12.510 20.640 ( -3.204 -0.624 -5.001) 5.972 21.319 ( 6.597 1.338 -0.337) 6.739 27.420 ( -1.766 -0.059 0.480) 1.831 27.639 ( -2.139 -0.123 0.466) 2.193 36.627 ( -12.358 -2.969 -1.996) 12.866 37.068 ( -2.233 1.274 4.520) 5.200 37.172 ( -5.462 -3.572 -6.756) 9.393 40.458 ( 8.726 2.766 16.046) 18.474 ======================= Grid point 24 (18/189) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -25.259 0.000 0.000) 25.259 1.233 ( -29.809 0.000 0.000) 29.809 2.144 ( -58.047 0.000 0.000) 58.047 3.037 ( 1.261 -0.000 -0.000) 1.261 3.377 ( -5.511 0.000 0.000) 5.511 4.681 ( 3.633 -0.000 -0.000) 3.633 5.092 ( 3.565 -0.000 -0.000) 3.565 5.449 ( 14.993 -0.000 -0.000) 14.993 6.141 ( -6.828 0.000 0.000) 6.828 6.721 ( -2.854 0.000 0.000) 2.854 7.105 ( -20.236 0.000 0.000) 20.236 7.894 ( 4.307 -0.000 -0.000) 4.307 9.231 ( -11.943 0.000 0.000) 11.943 9.890 ( -10.068 0.000 0.000) 10.068 11.548 ( 11.211 -0.000 -0.000) 11.211 11.719 ( 6.575 -0.000 -0.000) 6.575 11.759 ( 8.070 -0.000 -0.000) 8.070 13.441 ( 25.443 -0.000 -0.000) 25.443 18.153 ( -0.390 0.000 0.000) 0.390 18.217 ( 8.283 -0.000 -0.000) 8.283 18.402 ( -3.896 0.000 0.000) 3.896 18.471 ( -0.130 0.000 0.000) 0.130 20.562 ( -3.138 0.000 0.000) 3.138 21.421 ( 4.615 -0.000 -0.000) 4.615 27.398 ( -0.950 0.000 0.000) 0.950 27.600 ( -2.235 0.000 0.000) 2.235 36.390 ( -11.535 0.000 0.000) 11.535 37.061 ( -1.628 0.000 0.000) 1.628 37.076 ( -1.782 0.000 0.000) 1.782 40.655 ( 6.372 -0.000 -0.000) 6.372 ======================= Grid point 27 (19/189) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -0.000 22.448 12.329) 25.611 1.538 ( -0.000 22.224 15.134) 26.887 2.456 ( -0.000 47.387 10.710) 48.582 3.150 ( -0.000 -0.879 2.943) 3.072 3.269 ( 0.000 5.531 -7.606) 9.405 4.895 ( -0.000 -5.234 16.274) 17.095 5.109 ( 0.000 -4.384 0.772) 4.452 5.354 ( 0.000 -13.187 0.746) 13.208 6.136 ( -0.000 2.888 6.596) 7.200 6.783 ( 0.000 6.301 -5.741) 8.524 7.101 ( -0.000 19.246 -2.058) 19.356 7.840 ( 0.000 -3.507 -3.406) 4.889 9.382 ( -0.000 11.993 7.546) 14.170 9.773 ( -0.000 12.250 -5.451) 13.408 11.506 ( 0.000 -13.908 -4.892) 14.743 11.571 ( 0.000 -4.617 -5.317) 7.042 12.078 ( -0.000 -8.034 18.008) 19.719 13.249 ( 0.000 -27.474 -3.751) 27.729 18.088 ( 0.000 -5.135 -4.695) 6.958 18.209 ( 0.000 0.466 -4.778) 4.800 18.353 ( 0.000 -5.624 0.397) 5.638 18.407 ( -0.000 9.099 -1.955) 9.307 20.907 ( -0.000 -12.121 24.706) 27.519 21.422 ( 0.000 -5.637 2.397) 6.126 27.416 ( -0.000 1.680 0.711) 1.825 27.584 ( 0.000 1.904 -2.217) 2.922 36.394 ( -0.000 10.981 -1.878) 11.140 37.007 ( 0.000 0.990 -4.077) 4.196 37.099 ( -0.000 2.275 1.051) 2.506 39.899 ( 0.000 29.775 -58.078) 65.265 ======================= Grid point 28 (20/189) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -1.722 19.758 13.187) 23.817 1.807 ( 3.406 15.833 9.210) 18.631 2.988 ( -3.846 11.464 -0.347) 12.097 3.095 ( 9.598 13.079 2.243) 16.377 3.444 ( 11.584 12.737 -3.478) 17.565 4.904 ( -3.164 -3.164 16.044) 16.656 4.955 ( -8.213 -9.949 -3.672) 13.413 5.257 ( -1.823 -7.743 8.107) 11.358 6.340 ( 12.745 3.951 8.317) 15.723 6.783 ( -1.245 6.702 -3.546) 7.684 7.387 ( 9.565 17.727 -4.352) 20.608 7.780 ( -1.347 -1.552 -3.703) 4.235 9.578 ( 4.710 11.363 8.601) 15.010 9.940 ( 8.063 9.340 -3.674) 12.874 11.278 ( -5.493 -14.049 -6.690) 16.501 11.489 ( -1.340 -5.535 -5.811) 8.136 11.951 ( -15.153 -5.222 16.186) 22.779 12.894 ( -6.637 -27.285 -2.505) 28.192 17.943 ( -4.312 -10.867 -3.632) 12.242 18.152 ( -3.867 -0.672 0.268) 3.934 18.304 ( 1.781 -4.141 -4.926) 6.677 18.575 ( 5.469 11.628 -1.321) 12.918 20.894 ( -2.347 -6.659 16.201) 17.673 21.349 ( -2.623 -6.878 2.138) 7.665 27.437 ( -0.364 2.388 0.561) 2.480 27.601 ( 1.344 1.777 -2.535) 3.375 36.577 ( 8.288 10.221 -1.180) 13.212 36.989 ( -0.524 1.730 -4.616) 4.957 37.195 ( 7.238 3.126 3.568) 8.654 39.876 ( -1.570 17.701 -41.644) 45.277 ======================= Grid point 29 (21/189) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 4.569 15.302 8.563) 18.121 2.085 ( 10.225 6.857 10.855) 16.413 2.871 ( -3.619 -3.415 -5.800) 7.642 3.374 ( 7.960 6.900 -1.890) 10.703 3.813 ( 9.511 17.439 -5.215) 20.537 4.627 ( -13.251 -11.737 -3.985) 18.145 4.944 ( -1.187 -0.061 16.500) 16.543 5.189 ( -5.357 -4.137 10.246) 12.279 6.658 ( 13.273 4.132 8.809) 16.457 6.872 ( 6.177 4.459 -0.673) 7.648 7.643 ( 5.359 10.325 -6.461) 13.307 7.746 ( -1.180 5.099 -3.151) 6.109 9.858 ( 10.194 9.671 9.239) 16.817 10.148 ( 9.351 5.599 -4.260) 11.702 10.989 ( -7.680 -12.864 -8.304) 17.129 11.356 ( -5.071 -4.688 -5.173) 8.629 11.719 ( -14.676 -1.902 13.275) 19.880 12.496 ( -9.011 -23.743 0.322) 25.397 17.733 ( -5.933 -9.286 -2.421) 11.283 18.061 ( -5.053 -6.716 6.590) 10.680 18.299 ( 4.783 0.584 -9.114) 10.309 18.753 ( 3.233 10.016 -2.622) 10.846 20.878 ( -1.899 -2.910 9.584) 10.195 21.226 ( -4.452 -7.245 1.459) 8.628 27.458 ( -0.225 2.957 0.026) 2.966 27.632 ( 1.554 1.654 -2.342) 3.262 36.803 ( 7.797 6.340 -0.193) 10.051 36.985 ( 0.446 2.768 -5.031) 5.760 37.468 ( 16.156 5.571 8.496) 19.085 39.729 ( -8.359 7.935 -31.095) 33.162 ======================= Grid point 30 (22/189) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 12.243 6.336 3.774) 14.293 2.404 ( 13.995 1.985 12.746) 19.033 2.756 ( 0.763 -7.262 -7.408) 10.402 3.556 ( 4.425 9.241 -1.463) 10.350 3.973 ( -0.224 9.853 -9.078) 13.399 4.268 ( -13.499 -8.780 -1.818) 16.205 4.959 ( -4.281 -5.156 7.814) 10.294 5.123 ( -6.814 0.473 13.326) 14.975 6.949 ( 10.937 3.590 7.309) 13.635 7.038 ( 9.249 -0.156 1.441) 9.362 7.694 ( -0.415 4.455 -3.668) 5.785 7.811 ( -1.702 10.709 -5.345) 12.090 10.190 ( 12.334 7.907 6.151) 15.890 10.319 ( 8.457 2.807 -2.373) 9.221 10.710 ( -6.155 -8.808 -8.176) 13.502 11.164 ( -10.667 -1.743 -4.222) 11.604 11.591 ( -4.686 -2.632 8.867) 10.368 12.143 ( -7.671 -19.919 2.969) 21.551 17.555 ( -4.778 -4.972 -1.881) 7.148 17.911 ( -6.993 -8.714 5.727) 12.555 18.398 ( 8.837 2.823 -4.471) 10.298 18.836 ( -0.962 6.375 -4.504) 7.865 20.870 ( -1.230 -1.093 5.021) 5.283 21.084 ( -4.645 -6.177 0.975) 7.789 27.493 ( 0.739 3.544 -0.351) 3.638 27.655 ( 0.544 1.174 -1.641) 2.090 36.958 ( 4.895 2.937 0.992) 5.794 37.005 ( 1.299 3.352 -4.452) 5.722 37.923 ( 22.315 7.306 12.259) 26.488 39.427 ( -14.761 1.334 -24.965) 29.033 ======================= Grid point 31 (23/189) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 11.482 -2.635 -1.658) 11.897 2.545 ( 6.941 -18.225 -2.696) 19.688 2.865 ( 15.035 8.035 7.010) 18.433 3.529 ( -14.702 -0.206 -3.594) 15.136 4.006 ( -7.514 12.346 -13.717) 19.926 4.117 ( 6.649 3.951 8.243) 11.303 4.815 ( -7.758 -5.298 3.252) 9.941 5.050 ( -8.277 -3.227 10.828) 14.006 7.125 ( 5.301 -1.199 -1.090) 5.543 7.184 ( 7.648 -4.204 4.406) 9.777 7.746 ( 0.255 9.051 0.793) 9.089 7.813 ( -5.166 8.080 -4.518) 10.601 10.386 ( 5.205 3.178 -6.435) 8.866 10.542 ( 7.358 -2.998 -0.340) 7.952 10.561 ( 2.137 5.860 1.653) 6.453 10.929 ( -12.026 -1.435 -3.124) 12.507 11.573 ( 2.463 -5.085 4.003) 6.924 11.878 ( -4.410 -17.075 4.669) 18.243 17.465 ( -1.221 -0.504 -2.039) 2.430 17.731 ( -6.853 -7.598 4.044) 11.002 18.588 ( 9.815 3.784 -0.300) 10.523 18.805 ( -3.988 2.122 -4.285) 6.226 20.868 ( -0.301 -0.134 1.960) 1.988 20.967 ( -3.606 -4.058 0.736) 5.478 27.549 ( 1.587 3.820 -0.496) 4.166 27.653 ( -0.976 0.379 -0.550) 1.183 37.023 ( 0.795 2.726 -2.923) 4.075 37.063 ( 2.690 1.534 1.383) 3.392 38.471 ( 24.421 7.482 14.104) 29.177 39.006 ( -18.984 -2.985 -20.626) 28.191 ======================= Grid point 32 (24/189) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 1.707 -18.059 -12.909) 22.264 2.626 ( 12.794 -10.120 2.675) 16.530 3.134 ( -20.925 -6.569 -3.606) 22.226 3.304 ( 19.380 8.458 7.140) 22.318 3.895 ( -10.664 13.334 -13.648) 21.859 4.412 ( 6.343 8.427 14.716) 18.105 4.674 ( -3.483 -0.583 -3.715) 5.126 4.928 ( -6.315 -4.021 9.184) 11.849 7.110 ( -1.004 -5.433 -6.045) 8.189 7.217 ( 0.956 -5.672 0.415) 5.767 7.776 ( -5.026 6.685 -1.106) 8.436 7.877 ( 1.238 8.823 4.884) 10.160 10.449 ( 2.443 2.841 -7.255) 8.165 10.525 ( 1.132 0.358 -2.351) 2.634 10.650 ( -9.221 0.670 -4.753) 10.395 10.840 ( 5.744 3.030 6.941) 9.505 11.613 ( 7.499 -6.416 0.017) 9.869 11.702 ( -1.078 -13.834 5.208) 14.821 17.479 ( 3.256 1.943 -3.334) 5.049 17.598 ( -3.065 -5.183 3.865) 7.155 18.654 ( -4.679 1.243 -6.199) 7.865 18.838 ( 6.524 2.096 5.416) 8.734 20.885 ( 1.500 0.459 0.197) 1.581 20.887 ( -2.549 -2.013 0.280) 3.260 27.602 ( -0.125 2.122 -0.946) 2.327 27.633 ( -0.662 0.970 0.998) 1.542 37.031 ( -0.849 1.732 -2.377) 3.061 37.114 ( 0.841 0.834 2.428) 2.701 38.514 ( -20.720 -5.305 -17.372) 27.554 39.041 ( 23.821 6.702 14.736) 28.801 ======================= Grid point 33 (25/189) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 1.755 -17.067 -11.863) 20.859 2.616 ( -18.196 -9.328 -0.615) 20.457 2.793 ( 5.777 -5.278 -1.451) 7.958 3.705 ( -1.653 7.908 3.370) 8.754 3.839 ( 13.400 8.705 -5.991) 17.066 4.502 ( -5.171 -1.229 14.105) 15.073 4.692 ( -1.156 7.635 -7.640) 10.862 4.882 ( -1.060 -0.422 5.921) 6.030 6.939 ( -7.468 -5.406 -7.697) 12.010 7.139 ( -2.882 -5.183 -1.208) 6.052 7.767 ( -2.570 4.093 1.311) 5.007 7.970 ( -2.298 5.565 4.504) 7.519 10.303 ( -13.395 -2.450 -7.110) 15.361 10.515 ( -1.820 -0.527 -0.126) 1.899 10.642 ( 7.934 1.901 -0.728) 8.191 11.020 ( 5.788 8.005 2.498) 10.189 11.560 ( -0.812 -11.914 3.764) 12.520 11.773 ( 14.632 -3.020 -1.241) 14.992 17.555 ( 5.092 -0.290 -0.666) 5.143 17.591 ( 5.059 -0.736 0.207) 5.116 18.549 ( -4.555 0.605 -3.028) 5.503 18.960 ( 1.128 1.573 4.640) 5.028 20.825 ( -2.779 -1.043 -0.461) 3.004 20.948 ( 4.838 1.081 -0.340) 4.969 27.564 ( -3.139 -0.376 0.346) 3.181 27.670 ( 0.712 2.165 0.427) 2.319 37.001 ( -2.834 0.395 -1.436) 3.201 37.138 ( -0.616 0.991 2.910) 3.135 38.021 ( -20.604 -5.868 -13.172) 25.149 39.564 ( 21.575 5.246 12.636) 25.548 ======================= Grid point 34 (26/189) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 0.012 -9.909 -6.052) 11.611 2.158 ( -22.461 -5.367 -1.661) 23.153 2.890 ( 7.202 -2.731 0.434) 7.714 3.606 ( -9.745 4.322 -0.849) 10.694 4.271 ( 18.524 3.372 4.166) 19.284 4.471 ( -6.860 -0.914 13.410) 15.090 4.562 ( -8.533 3.266 -14.013) 16.728 4.921 ( 1.939 1.207 1.053) 2.515 6.706 ( -10.556 -2.330 -5.171) 11.983 7.015 ( -5.305 -4.428 -0.830) 6.960 7.773 ( -0.758 1.633 1.041) 2.080 7.941 ( -8.187 2.641 2.292) 8.903 9.992 ( -15.362 -3.221 -3.496) 16.081 10.434 ( -6.531 -1.275 -0.402) 6.666 10.850 ( 13.372 2.349 0.287) 13.580 11.232 ( 7.675 9.030 1.312) 11.923 11.464 ( 0.623 -9.189 2.173) 9.463 12.063 ( 21.641 0.110 -1.433) 21.689 17.671 ( 8.625 -1.036 4.480) 9.774 17.710 ( 9.549 0.380 -5.040) 10.804 18.493 ( -2.154 1.221 -0.284) 2.492 18.941 ( -6.404 0.304 2.068) 6.737 20.761 ( -3.429 -0.505 -0.959) 3.596 21.064 ( 7.359 0.937 -0.193) 7.421 27.508 ( -3.148 -0.262 0.460) 3.192 27.689 ( -0.546 0.934 0.292) 1.121 36.928 ( -5.113 -0.393 -0.656) 5.170 37.147 ( -1.434 1.277 3.122) 3.665 37.576 ( -18.279 -4.419 -8.163) 20.501 39.999 ( 18.012 2.949 8.111) 19.973 ======================= Grid point 35 (27/189) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -21.688 0.000 0.000) 21.688 1.865 ( -7.591 0.000 0.000) 7.591 2.970 ( 3.532 -0.000 -0.000) 3.532 3.456 ( -11.664 0.000 0.000) 11.664 3.978 ( -34.143 0.000 0.000) 34.143 4.546 ( 3.139 -0.000 -0.000) 3.139 4.763 ( 23.565 -0.000 -0.000) 23.565 4.967 ( 2.852 -0.000 -0.000) 2.852 6.490 ( -11.750 0.000 0.000) 11.750 6.883 ( -6.192 0.000 0.000) 6.192 7.762 ( -15.003 0.000 0.000) 15.003 7.788 ( 1.299 -0.000 -0.000) 1.299 9.703 ( -15.072 0.000 0.000) 15.072 10.277 ( -10.466 0.000 0.000) 10.466 11.113 ( 14.643 -0.000 -0.000) 14.643 11.444 ( 8.754 -0.000 -0.000) 8.754 11.455 ( 5.529 -0.000 -0.000) 5.529 12.483 ( 27.118 -0.000 -0.000) 27.118 17.862 ( 11.322 -0.000 -0.000) 11.322 17.865 ( 10.774 -0.000 -0.000) 10.774 18.480 ( -0.653 0.000 0.000) 0.653 18.787 ( -11.608 0.000 0.000) 11.608 20.691 ( -3.976 0.000 0.000) 3.976 21.200 ( 7.776 -0.000 -0.000) 7.776 27.459 ( -2.579 0.000 0.000) 2.579 27.674 ( -1.676 0.000 0.000) 1.676 36.803 ( -9.321 0.000 0.000) 9.321 37.141 ( -1.654 0.000 0.000) 1.654 37.258 ( -12.417 0.000 0.000) 12.417 40.311 ( 14.015 -0.000 -0.000) 14.015 ======================= Grid point 40 (28/189) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -0.000 15.443 6.825) 16.884 2.006 ( -0.000 11.062 10.810) 15.467 3.048 ( 0.000 -8.864 -6.311) 10.882 3.114 ( -0.000 5.175 -0.576) 5.207 3.537 ( -0.000 32.985 2.199) 33.058 4.873 ( 0.000 -15.772 -3.498) 16.155 4.982 ( -0.000 -2.690 14.826) 15.068 5.289 ( -0.000 -1.285 12.125) 12.193 6.322 ( -0.000 7.274 8.476) 11.169 6.836 ( 0.000 5.788 -6.524) 8.721 7.462 ( -0.000 18.163 -2.788) 18.376 7.764 ( 0.000 0.686 -3.301) 3.372 9.691 ( -0.000 9.757 8.117) 12.692 9.954 ( -0.000 9.293 -1.877) 9.481 11.119 ( 0.000 -18.137 -7.674) 19.694 11.424 ( 0.000 -4.430 -6.008) 7.464 12.128 ( -0.000 -4.628 16.545) 17.180 12.656 ( 0.000 -26.942 -3.108) 27.121 17.836 ( 0.000 -12.171 -6.455) 13.777 18.174 ( 0.000 0.236 -3.509) 3.517 18.229 ( 0.000 -8.053 2.423) 8.409 18.648 ( -0.000 15.247 -1.915) 15.366 20.924 ( -0.000 -6.307 13.092) 14.532 21.308 ( 0.000 -8.243 2.081) 8.501 27.475 ( -0.000 3.297 1.068) 3.466 27.587 ( 0.000 1.129 -2.970) 3.178 36.609 ( -0.000 12.753 -2.801) 13.057 36.991 ( 0.000 1.333 -3.126) 3.398 37.166 ( -0.000 2.895 1.646) 3.330 39.879 ( 0.000 16.616 -32.993) 36.941 ======================= Grid point 41 (29/189) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 4.957 9.758 5.020) 12.041 2.079 ( -4.128 5.550 8.203) 10.730 2.854 ( -4.372 -9.582 -8.926) 13.806 3.222 ( 10.463 0.283 -2.991) 10.886 3.911 ( 3.029 26.403 2.371) 26.681 4.643 ( -6.178 -16.023 -1.724) 17.259 5.024 ( -0.984 -1.356 11.807) 11.925 5.323 ( -4.016 1.345 12.916) 13.593 6.530 ( 9.850 5.828 7.728) 13.810 6.871 ( 1.258 6.430 -3.506) 7.431 7.627 ( 3.195 8.885 -5.254) 10.805 7.797 ( 1.072 8.759 -1.685) 8.983 9.857 ( 5.282 6.846 7.684) 11.568 10.068 ( 4.748 6.461 -2.642) 8.442 10.878 ( -2.105 -17.040 -8.473) 19.146 11.329 ( -2.275 -5.181 -4.284) 7.097 12.048 ( -13.600 -1.034 13.490) 19.184 12.369 ( -3.613 -22.176 -0.987) 22.490 17.670 ( -1.129 -11.914 -3.990) 12.615 18.126 ( -4.779 -7.962 5.760) 10.927 18.179 ( 3.334 1.066 -7.414) 8.198 18.808 ( 1.740 13.493 -2.279) 13.794 20.919 ( -1.121 -3.956 8.883) 9.788 21.212 ( -2.253 -8.733 1.498) 9.143 27.502 ( -1.083 3.215 0.619) 3.449 27.602 ( 2.033 1.300 -2.637) 3.574 36.761 ( 4.731 10.189 -2.774) 11.571 36.985 ( -0.273 2.007 -3.254) 3.833 37.305 ( 11.261 3.631 4.287) 12.585 39.813 ( -6.557 11.030 -25.032) 28.129 ======================= Grid point 42 (30/189) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 4.475 -7.127 7.402) 11.207 2.318 ( 7.543 11.149 2.444) 13.681 2.661 ( -2.274 -7.924 -6.596) 10.558 3.439 ( 14.432 3.175 -2.447) 14.978 4.112 ( -4.812 14.576 0.432) 15.356 4.357 ( -9.034 -11.428 -0.612) 14.581 5.017 ( -3.589 -2.998 5.909) 7.535 5.307 ( -6.806 0.654 10.614) 12.626 6.801 ( 12.127 2.173 6.211) 13.797 6.972 ( 3.689 5.846 0.110) 6.914 7.703 ( 2.229 5.284 -3.830) 6.896 7.907 ( -0.111 10.514 -3.017) 10.939 10.083 ( 10.495 3.921 4.562) 12.097 10.202 ( 7.009 2.726 -1.808) 7.735 10.651 ( -2.335 -10.917 -7.518) 13.460 11.205 ( -3.950 -5.082 -3.205) 7.191 11.846 ( -16.009 1.121 9.710) 18.757 12.085 ( -6.868 -17.319 1.187) 18.669 17.543 ( -0.906 -7.878 -0.295) 7.935 17.974 ( -6.453 -8.275 4.098) 11.265 18.250 ( 7.335 2.412 -5.443) 9.448 18.912 ( -1.658 9.359 -3.622) 10.171 20.905 ( -1.347 -1.983 5.234) 5.757 21.088 ( -3.120 -7.614 0.918) 8.280 27.520 ( -0.119 2.743 0.121) 2.748 27.640 ( 1.615 1.674 -1.982) 3.056 36.908 ( 4.705 5.161 -1.235) 7.092 36.996 ( 0.859 2.944 -3.814) 4.894 37.660 ( 20.861 5.008 7.423) 22.701 39.601 ( -14.241 5.497 -19.241) 24.560 ======================= Grid point 43 (31/189) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 11.925 -14.499 3.061) 19.021 2.397 ( -4.634 -0.500 -6.431) 7.942 2.721 ( 13.154 4.473 5.199) 14.834 3.694 ( 2.785 6.364 -2.338) 7.330 4.018 ( 0.094 -7.213 4.153) 8.324 4.227 ( -8.069 12.043 -3.196) 14.844 4.908 ( -6.851 -4.242 2.720) 8.505 5.194 ( -8.713 -4.973 5.555) 11.467 7.026 ( 9.540 -1.214 4.188) 10.489 7.073 ( 2.265 2.494 0.301) 3.382 7.797 ( 3.074 7.293 -0.526) 7.932 7.945 ( -3.638 7.433 -3.426) 8.957 10.288 ( 7.251 4.008 -5.277) 9.823 10.343 ( 10.528 -5.203 0.705) 11.765 10.571 ( 3.171 1.679 0.152) 3.591 11.053 ( -7.316 -3.401 -3.467) 8.782 11.647 ( -11.805 -0.936 6.213) 13.373 11.818 ( -6.372 -14.896 2.349) 16.371 17.480 ( -1.106 -2.161 1.229) 2.721 17.794 ( -7.083 -7.501 2.456) 10.605 18.425 ( 11.946 2.879 -1.734) 12.410 18.893 ( -5.665 4.360 -4.604) 8.503 20.890 ( -1.203 -0.767 2.525) 2.900 20.979 ( -2.598 -5.039 0.638) 5.705 27.558 ( 1.286 2.721 0.097) 3.011 27.661 ( 0.160 1.160 -1.327) 1.770 37.012 ( 3.106 2.173 -0.158) 3.794 37.029 ( 2.130 2.760 -2.865) 4.513 38.159 ( 25.840 5.074 8.751) 27.750 39.245 ( -20.313 1.163 -14.864) 25.197 ======================= Grid point 44 (32/189) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( -0.251 -14.039 -7.939) 16.130 2.358 ( 7.696 -4.635 1.946) 9.192 3.073 ( 17.886 5.778 4.000) 19.217 3.446 ( -21.239 -4.127 -1.248) 21.672 4.167 ( -11.694 13.037 -5.271) 18.289 4.302 ( 19.555 5.290 5.440) 20.976 4.754 ( -7.506 -3.069 1.179) 8.195 5.013 ( -6.329 -7.612 4.014) 10.682 7.081 ( -1.751 -0.671 -1.940) 2.698 7.135 ( 4.081 -3.348 1.499) 5.487 7.910 ( -4.440 4.892 -1.885) 6.870 7.936 ( 2.833 6.875 2.089) 7.724 10.378 ( 4.946 1.823 -4.510) 6.938 10.448 ( 6.235 0.009 -4.057) 7.439 10.757 ( 9.786 4.183 5.046) 11.779 10.845 ( -12.204 -1.474 -3.076) 12.672 11.511 ( -3.060 -4.314 2.440) 5.825 11.613 ( -2.896 -12.762 3.073) 13.442 17.470 ( -0.404 1.781 0.190) 1.836 17.629 ( -5.215 -5.857 1.788) 8.044 18.662 ( 9.829 3.813 -0.210) 10.545 18.786 ( -4.298 -0.306 -2.547) 5.005 20.880 ( -0.320 -0.069 0.777) 0.843 20.907 ( -2.012 -2.425 0.387) 3.175 27.612 ( 1.636 2.553 -0.007) 3.032 27.654 ( -1.090 0.211 -0.413) 1.185 37.046 ( 0.166 1.914 -1.777) 2.617 37.095 ( 2.991 0.733 0.584) 3.134 38.698 ( 21.541 4.340 5.622) 22.681 38.805 ( -17.900 -1.632 -8.264) 19.783 ======================= Grid point 45 (33/189) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -2.547 -8.870 -6.234) 11.136 2.500 ( 11.687 -4.031 0.931) 12.397 3.003 ( -23.970 -3.166 -1.259) 24.211 3.476 ( 21.419 3.525 1.967) 21.796 4.018 ( -13.760 6.424 -3.657) 15.619 4.613 ( -4.497 -2.652 7.409) 9.064 4.670 ( 9.994 6.387 -3.637) 12.405 4.913 ( -1.283 -3.353 3.284) 4.866 6.984 ( -5.930 -1.980 -2.819) 6.859 7.135 ( -0.728 -2.305 -0.018) 2.417 7.862 ( -4.141 2.440 -0.193) 4.810 8.043 ( 1.144 3.565 2.031) 4.260 10.431 ( -1.714 1.387 -3.869) 4.453 10.527 ( 4.519 1.589 -1.301) 4.963 10.602 ( -10.185 -1.928 -0.394) 10.373 10.977 ( 8.446 4.547 1.717) 9.744 11.472 ( 0.411 -7.028 1.379) 7.174 11.541 ( 6.883 -4.680 1.121) 8.398 17.495 ( 1.194 2.550 -2.175) 3.558 17.543 ( -0.031 -3.701 2.506) 4.470 18.628 ( -6.098 0.596 -2.237) 6.523 18.909 ( 8.587 0.839 2.055) 8.870 20.858 ( -2.190 -0.799 0.056) 2.332 20.894 ( 1.969 0.236 -0.001) 1.983 27.612 ( -2.595 0.197 -0.213) 2.611 27.670 ( 1.584 1.118 0.318) 1.965 37.040 ( -1.616 0.696 -0.803) 1.935 37.144 ( 1.684 0.375 0.870) 1.932 38.316 ( -24.144 -1.871 -6.254) 25.011 39.240 ( 25.975 2.376 5.414) 26.640 ======================= Grid point 46 (34/189) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 1.233 -0.000 -0.000) 1.233 2.515 ( -19.885 0.000 0.000) 19.885 2.731 ( 6.672 -0.000 -0.000) 6.672 3.802 ( -8.763 0.000 0.000) 8.763 3.903 ( 20.889 -0.000 -0.000) 20.889 4.539 ( -3.019 0.000 0.000) 3.019 4.754 ( -5.373 0.000 0.000) 5.373 4.910 ( 0.802 -0.000 -0.000) 0.802 6.839 ( -8.315 0.000 0.000) 8.315 7.079 ( -4.150 0.000 0.000) 4.150 7.815 ( -2.699 0.000 0.000) 2.699 8.053 ( -2.834 0.000 0.000) 2.834 10.236 ( -15.448 0.000 0.000) 15.448 10.508 ( -3.035 0.000 0.000) 3.035 10.659 ( 9.602 -0.000 -0.000) 9.602 11.152 ( 8.303 -0.000 -0.000) 8.303 11.422 ( -1.150 0.000 0.000) 1.150 11.732 ( 16.163 -0.000 -0.000) 16.163 17.549 ( 5.321 -0.000 -0.000) 5.321 17.580 ( 4.920 -0.000 -0.000) 4.920 18.543 ( -3.585 0.000 0.000) 3.585 19.001 ( 0.750 -0.000 -0.000) 0.750 20.812 ( -2.899 0.000 0.000) 2.899 20.957 ( 5.211 -0.000 -0.000) 5.211 27.562 ( -3.158 0.000 0.000) 3.158 27.696 ( 0.540 -0.000 -0.000) 0.540 36.997 ( -3.397 0.000 0.000) 3.397 37.168 ( 0.385 -0.000 -0.000) 0.385 37.887 ( -22.431 0.000 0.000) 22.431 39.685 ( 22.646 -0.000 -0.000) 22.646 ======================= Grid point 53 (35/189) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 0.000 -9.149 -0.213) 9.152 2.131 ( -0.000 7.687 -0.296) 7.693 2.743 ( 0.000 -7.797 -8.486) 11.524 3.098 ( 0.000 -1.306 -1.216) 1.784 4.188 ( -0.000 24.640 7.258) 25.687 4.522 ( 0.000 -16.859 -0.380) 16.863 5.080 ( -0.000 -0.364 8.077) 8.085 5.451 ( -0.000 2.802 12.478) 12.789 6.542 ( -0.000 5.818 5.024) 7.687 6.908 ( -0.000 7.212 -1.994) 7.483 7.649 ( 0.000 5.786 -4.854) 7.552 7.887 ( -0.000 12.019 -0.049) 12.019 9.888 ( -0.000 1.899 5.537) 5.854 10.073 ( -0.000 4.930 -3.167) 5.860 10.675 ( 0.000 -16.856 -8.032) 18.672 11.291 ( 0.000 -4.102 -1.696) 4.439 12.190 ( 0.000 -16.980 -1.083) 17.014 12.241 ( -0.000 0.416 11.978) 11.985 17.523 ( 0.000 -12.011 -6.067) 13.456 18.077 ( 0.000 -5.383 -3.096) 6.209 18.166 ( -0.000 -2.311 3.344) 4.065 18.930 ( -0.000 14.671 -1.687) 14.767 20.932 ( -0.000 -3.353 6.753) 7.540 21.148 ( 0.000 -9.352 1.125) 9.420 27.561 ( -0.000 4.015 1.146) 4.175 27.567 ( 0.000 0.089 -2.913) 2.914 36.817 ( -0.000 11.784 -4.473) 12.604 36.995 ( -0.000 0.594 0.200) 0.626 37.242 ( -0.000 2.759 1.829) 3.310 39.864 ( 0.000 9.426 -18.787) 21.019 ======================= Grid point 54 (36/189) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 0.542 -18.884 -4.710) 19.470 2.277 ( 9.200 5.955 -2.973) 11.355 2.638 ( -3.890 -2.020 -2.435) 5.014 3.191 ( 11.877 -0.666 -0.751) 11.919 4.312 ( -5.941 -11.752 1.802) 13.291 4.418 ( -2.932 15.279 6.287) 16.780 5.081 ( -2.886 -1.058 2.937) 4.251 5.480 ( -6.335 1.262 8.631) 10.780 6.676 ( 7.897 2.786 2.837) 8.841 6.998 ( 1.676 7.420 1.410) 7.736 7.696 ( 2.123 5.077 -3.446) 6.493 8.001 ( -0.197 9.968 -0.714) 9.996 9.962 ( 6.411 -2.134 2.786) 7.309 10.120 ( 3.454 1.826 -3.566) 5.290 10.502 ( 1.484 -11.550 -5.863) 13.038 11.225 ( -3.271 -2.570 0.098) 4.161 12.007 ( -4.896 -10.875 0.441) 11.934 12.201 ( -11.640 1.176 8.160) 14.264 17.419 ( 3.622 -9.136 -3.074) 10.297 17.988 ( -2.931 -6.424 -0.780) 7.104 18.173 ( 1.912 0.173 0.448) 1.972 19.039 ( -2.325 11.545 -1.975) 11.941 20.928 ( -0.701 -2.077 4.316) 4.841 21.051 ( -1.298 -8.209 0.655) 8.337 27.544 ( -0.533 0.720 -1.193) 1.491 27.624 ( 1.623 2.808 -0.312) 3.258 36.908 ( 1.189 8.012 -3.918) 8.997 36.997 ( -0.151 0.929 -0.265) 0.978 37.415 ( 14.830 3.042 3.553) 15.550 39.781 ( -9.071 6.061 -13.559) 17.403 ======================= Grid point 55 (37/189) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 10.081 -17.325 -3.496) 20.347 2.497 ( -0.015 8.083 -6.246) 10.215 2.556 ( 6.552 -3.081 5.704) 9.217 3.470 ( 20.504 2.144 -1.357) 20.660 4.068 ( -9.899 -10.825 2.008) 14.806 4.509 ( -7.810 14.812 5.610) 17.660 4.991 ( -5.699 -3.071 -0.175) 6.476 5.336 ( -11.675 -4.004 2.181) 12.534 6.870 ( 10.104 0.385 2.666) 10.457 7.094 ( 0.840 4.716 1.564) 5.039 7.790 ( 4.236 5.266 -1.215) 6.867 8.050 ( -2.602 5.989 -1.550) 6.711 10.089 ( 11.175 -4.622 -0.661) 12.111 10.188 ( 5.647 0.648 -3.273) 6.559 10.468 ( 6.077 -4.150 -1.215) 7.458 11.134 ( -5.676 -0.318 0.121) 5.686 11.807 ( -8.003 -8.171 1.132) 11.493 11.982 ( -17.935 0.852 4.484) 18.507 17.430 ( 4.943 -3.884 0.854) 6.344 17.846 ( -5.989 -5.761 -0.078) 8.310 18.259 ( 7.853 1.204 -0.802) 7.985 19.038 ( -6.847 6.336 -2.617) 9.689 20.914 ( -1.102 -0.985 2.208) 2.657 20.963 ( -1.252 -5.194 0.414) 5.359 27.553 ( 1.227 0.762 -0.422) 1.505 27.664 ( 0.577 1.941 -0.602) 2.113 36.978 ( 2.417 3.103 -1.148) 4.098 37.015 ( 1.185 1.775 -1.772) 2.774 37.804 ( 23.602 2.931 4.364) 24.180 39.534 ( -17.570 2.712 -9.177) 20.007 ======================= Grid point 56 (38/189) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 11.784 -9.216 -2.417) 15.154 2.373 ( -8.257 -0.163 -0.214) 8.261 2.838 ( 16.331 2.462 1.662) 16.599 3.735 ( -13.853 0.903 -2.352) 14.081 3.943 ( 23.681 -2.960 3.391) 24.105 4.494 ( -12.418 11.445 2.113) 17.019 4.850 ( -5.990 -3.244 -0.408) 6.824 5.080 ( -10.623 -6.382 -0.157) 12.393 7.026 ( 7.028 -0.964 1.176) 7.191 7.120 ( -1.991 1.402 0.248) 2.448 7.918 ( 5.219 3.716 0.411) 6.420 8.021 ( -4.462 2.548 -1.152) 5.266 10.227 ( 10.322 -2.960 -1.379) 10.826 10.312 ( 8.103 2.460 -2.867) 8.940 10.593 ( 10.886 -1.808 1.587) 11.149 11.021 ( -8.403 1.419 -0.460) 8.534 11.599 ( -8.059 -5.858 1.178) 10.033 11.697 ( -15.981 -0.771 1.694) 16.089 17.486 ( 2.089 0.445 1.622) 2.682 17.684 ( -6.796 -3.896 -0.260) 7.838 18.458 ( 13.841 1.054 -0.024) 13.881 18.917 ( -9.619 1.739 -2.095) 9.997 20.896 ( -1.096 -0.333 0.717) 1.352 20.912 ( -1.022 -1.909 0.248) 2.179 27.592 ( 2.408 0.686 0.012) 2.504 27.674 ( -0.726 0.804 -0.423) 1.163 37.041 ( 1.937 0.868 0.022) 2.123 37.047 ( 2.581 1.035 -1.228) 3.040 38.293 ( 27.776 1.854 3.255) 28.028 39.157 ( -23.344 0.384 -4.937) 23.864 ======================= Grid point 57 (39/189) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -0.742 0.000 0.000) 0.742 2.319 ( 4.847 -0.000 -0.000) 4.847 3.154 ( 18.694 -0.000 -0.000) 18.694 3.390 ( -22.579 0.000 0.000) 22.579 4.294 ( -11.991 0.000 0.000) 11.991 4.400 ( 19.602 -0.000 -0.000) 19.602 4.727 ( -6.967 0.000 0.000) 6.967 4.925 ( -3.152 0.000 0.000) 3.152 7.065 ( -4.749 0.000 0.000) 4.749 7.107 ( 2.958 -0.000 -0.000) 2.958 7.950 ( -4.757 0.000 0.000) 4.757 8.021 ( 3.955 -0.000 -0.000) 3.955 10.368 ( 7.231 -0.000 -0.000) 7.231 10.440 ( 6.017 -0.000 -0.000) 6.017 10.754 ( 1.926 -0.000 -0.000) 1.926 10.886 ( -2.861 0.000 0.000) 2.861 11.469 ( -3.578 0.000 0.000) 3.578 11.497 ( -5.538 0.000 0.000) 5.538 17.515 ( 0.337 -0.000 -0.000) 0.337 17.555 ( -5.018 0.000 0.000) 5.018 18.715 ( 14.264 -0.000 -0.000) 14.264 18.755 ( -8.844 0.000 0.000) 8.844 20.882 ( -0.470 0.000 0.000) 0.470 20.885 ( -1.204 0.000 0.000) 1.204 27.639 ( 2.176 -0.000 -0.000) 2.176 27.654 ( -1.577 0.000 0.000) 1.577 37.056 ( -0.062 0.000 0.000) 0.062 37.105 ( 3.126 -0.000 -0.000) 3.126 38.721 ( -25.483 0.000 0.000) 25.483 38.796 ( 28.383 -0.000 -0.000) 28.383 ======================= Grid point 66 (40/189) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 0.000 -23.047 -12.641) 26.286 2.189 ( 0.000 1.641 -3.602) 3.958 2.670 ( -0.000 0.543 0.310) 0.625 3.082 ( -0.000 -0.319 0.974) 1.025 4.233 ( 0.000 -11.462 0.323) 11.467 4.654 ( -0.000 13.673 10.594) 17.297 5.099 ( 0.000 -1.486 -2.291) 2.731 5.608 ( -0.000 1.910 7.241) 7.488 6.631 ( -0.000 1.711 0.085) 1.713 7.066 ( -0.000 6.552 2.494) 7.011 7.705 ( -0.000 4.070 -2.441) 4.746 8.091 ( -0.000 7.444 0.019) 7.445 9.875 ( 0.000 -5.102 0.708) 5.151 10.084 ( 0.000 0.637 -3.716) 3.770 10.358 ( 0.000 -8.092 -3.560) 8.841 11.242 ( -0.000 -1.131 1.499) 1.877 11.969 ( 0.000 -5.872 0.267) 5.878 12.364 ( -0.000 1.697 6.010) 6.245 17.271 ( 0.000 -7.485 -3.713) 8.355 17.957 ( 0.000 -3.918 -1.352) 4.145 18.161 ( -0.000 -0.969 1.747) 1.998 19.165 ( -0.000 9.740 -0.947) 9.786 20.935 ( -0.000 -1.463 2.828) 3.184 20.986 ( 0.000 -6.964 0.323) 6.972 27.538 ( 0.000 -0.314 -1.821) 1.848 27.642 ( -0.000 2.798 0.755) 2.898 36.959 ( 0.000 8.426 -7.575) 11.330 37.018 ( -0.000 -1.224 5.484) 5.619 37.304 ( -0.000 1.706 1.238) 2.108 39.857 ( 0.000 4.358 -8.656) 9.691 ======================= Grid point 67 (41/189) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 7.931 -13.897 -6.528) 17.281 2.306 ( 13.028 1.070 -2.069) 13.234 2.639 ( -4.575 0.496 0.552) 4.635 3.184 ( 11.703 -0.095 0.346) 11.708 4.110 ( -4.345 -6.133 0.374) 7.525 4.789 ( -4.288 10.608 9.948) 15.162 5.020 ( -3.472 -4.184 -5.802) 7.951 5.539 ( -11.793 -0.409 2.323) 12.027 6.723 ( 8.249 0.723 0.577) 8.301 7.134 ( 0.469 3.391 1.506) 3.740 7.756 ( 3.140 2.608 -0.995) 4.201 8.132 ( -1.713 3.569 -0.245) 3.966 9.886 ( 6.555 -3.767 -0.458) 7.574 10.098 ( 3.336 0.104 -2.120) 3.954 10.325 ( 4.243 -3.492 -1.116) 5.607 11.216 ( -3.112 0.015 1.001) 3.269 11.880 ( -5.739 -2.885 0.320) 6.431 12.288 ( -12.586 0.996 2.754) 12.922 17.269 ( 7.349 -3.417 -1.136) 8.183 17.888 ( -3.769 -2.470 -0.572) 4.542 18.180 ( 2.505 -0.094 0.543) 2.565 19.193 ( -4.943 4.811 -0.755) 6.939 20.928 ( -0.561 -1.940 0.755) 2.156 20.933 ( -0.253 -2.317 0.656) 2.422 27.534 ( 0.763 -0.080 -0.741) 1.067 27.672 ( 0.466 1.416 0.185) 1.502 36.990 ( -0.210 5.045 -5.154) 7.216 37.009 ( -0.694 -1.779 3.711) 4.173 37.486 ( 16.768 1.196 1.376) 16.867 39.767 ( -10.196 1.940 -4.317) 11.241 ======================= Grid point 68 (42/189) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 13.859 -0.000 -0.000) 13.859 2.529 ( -8.556 0.000 0.000) 8.556 2.574 ( 16.528 -0.000 -0.000) 16.528 3.487 ( 23.334 -0.000 -0.000) 23.334 3.962 ( -9.934 0.000 0.000) 9.934 4.784 ( -10.740 0.000 0.000) 10.740 4.884 ( -2.935 0.000 0.000) 2.935 5.284 ( -15.837 0.000 0.000) 15.837 6.886 ( 9.214 -0.000 -0.000) 9.214 7.154 ( -0.634 0.000 0.000) 0.634 7.843 ( 5.342 -0.000 -0.000) 5.342 8.102 ( -3.570 0.000 0.000) 3.570 10.017 ( 10.765 -0.000 -0.000) 10.765 10.183 ( 6.959 -0.000 -0.000) 6.959 10.415 ( 8.417 -0.000 -0.000) 8.417 11.146 ( -5.555 0.000 0.000) 5.555 11.730 ( -9.413 0.000 0.000) 9.413 12.018 ( -19.092 0.000 0.000) 19.092 17.399 ( 8.109 -0.000 -0.000) 8.109 17.783 ( -6.559 0.000 0.000) 6.559 18.268 ( 8.164 -0.000 -0.000) 8.164 19.089 ( -9.091 0.000 0.000) 9.091 20.908 ( -0.450 0.000 0.000) 0.450 20.919 ( -0.857 0.000 0.000) 0.857 27.555 ( 1.926 -0.000 -0.000) 1.926 27.684 ( 0.017 -0.000 -0.000) 0.017 37.004 ( 1.484 -0.000 -0.000) 1.484 37.024 ( 1.406 -0.000 -0.000) 1.406 37.857 ( 24.520 -0.000 -0.000) 24.520 39.513 ( -18.664 0.000 0.000) 18.664 ======================= Grid point 81 (43/189) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -0.000 0.000 0.000) 0.000 2.177 ( -0.000 0.000 0.000) 0.000 2.682 ( -0.000 0.000 0.000) 0.000 3.087 ( -0.000 0.000 0.000) 0.000 4.115 ( -0.000 0.000 0.000) 0.000 4.943 ( -0.000 0.000 0.000) 0.000 4.974 ( 0.000 -0.000 -0.000) 0.000 5.665 ( -0.000 0.000 0.000) 0.000 6.646 ( -0.000 0.000 0.000) 0.000 7.152 ( -0.000 0.000 0.000) 0.000 7.737 ( -0.000 0.000 0.000) 0.000 8.166 ( -0.000 0.000 0.000) 0.000 9.807 ( -0.000 0.000 0.000) 0.000 10.063 ( -0.000 0.000 0.000) 0.000 10.266 ( -0.000 0.000 0.000) 0.000 11.245 ( -0.000 0.000 0.000) 0.000 11.920 ( -0.000 0.000 0.000) 0.000 12.414 ( -0.000 0.000 0.000) 0.000 17.175 ( -0.000 0.000 0.000) 0.000 17.909 ( -0.000 0.000 0.000) 0.000 18.161 ( -0.000 0.000 0.000) 0.000 19.262 ( -0.000 0.000 0.000) 0.000 20.913 ( -0.000 0.000 0.000) 0.000 20.935 ( -0.000 0.000 0.000) 0.000 27.524 ( -0.000 0.000 0.000) 0.000 27.676 ( -0.000 0.000 0.000) 0.000 36.994 ( -0.000 0.000 -0.000) 0.000 37.045 ( -0.000 -0.000 0.000) 0.000 37.328 ( -0.000 0.000 0.000) 0.000 39.855 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 162 (44/189) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( -0.000 -0.000 31.583) 31.583 0.500 ( -0.000 -0.000 31.583) 31.583 0.797 ( -0.000 -0.000 50.404) 50.404 3.073 ( -0.000 0.000 1.379) 1.379 3.073 ( -0.000 -0.000 1.379) 1.379 5.181 ( -0.000 -0.000 2.945) 2.945 5.181 ( -0.000 -0.000 2.945) 2.945 5.673 ( 0.000 0.000 -5.213) 5.213 6.152 ( -0.000 -0.000 5.967) 5.967 6.657 ( 0.000 0.000 -2.824) 2.824 6.657 ( 0.000 0.000 -2.824) 2.824 7.971 ( 0.000 0.000 -3.096) 3.096 9.047 ( -0.000 -0.000 6.977) 6.977 9.047 ( -0.000 -0.000 6.977) 6.977 11.799 ( 0.000 0.000 -5.210) 5.210 11.799 ( 0.000 0.000 -5.210) 5.210 12.442 ( -0.000 -0.000 2.193) 2.193 13.903 ( 0.000 0.000 -4.000) 4.000 17.998 ( -0.000 -0.000 1.120) 1.120 17.998 ( -0.000 -0.000 1.120) 1.120 18.456 ( 0.000 0.000 -0.955) 0.955 18.456 ( 0.000 0.000 -0.955) 0.955 21.521 ( -0.000 -0.000 2.607) 2.607 22.623 ( 0.000 0.000 -2.313) 2.313 27.389 ( -0.000 -0.000 0.455) 0.455 27.553 ( 0.000 0.000 -0.309) 0.309 36.189 ( -0.000 -0.000 1.766) 1.766 36.189 ( -0.000 -0.000 1.766) 1.766 37.027 ( 0.000 0.000 -1.930) 1.930 37.027 ( 0.000 0.000 -1.930) 1.930 ======================= Grid point 163 (45/189) ======================= q-point: ( 0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 18.483 10.671 16.982) 27.274 0.856 ( 11.867 6.852 25.049) 28.553 1.701 ( 41.887 24.183 29.873) 56.849 3.001 ( -3.264 -1.884 -1.744) 4.152 3.260 ( 7.918 4.572 -1.068) 9.205 5.008 ( -9.670 -5.583 16.008) 19.517 5.156 ( -3.936 -2.272 2.223) 5.059 5.576 ( -5.459 -3.152 -4.693) 7.859 6.230 ( 3.575 2.064 9.176) 10.061 6.704 ( 6.295 3.635 -2.881) 7.819 6.758 ( 9.980 5.762 -3.963) 12.186 7.912 ( -3.165 -1.827 -3.953) 5.384 9.172 ( 7.243 4.182 8.502) 11.926 9.499 ( 21.502 12.414 -8.808) 26.344 11.663 ( -7.612 -4.395 -7.874) 11.801 11.750 ( -2.520 -1.455 -5.833) 6.519 12.126 ( -19.986 -11.539 19.475) 30.196 13.714 ( -13.705 -7.913 -4.237) 16.383 18.071 ( 2.324 1.342 -9.325) 9.703 18.117 ( 7.588 4.381 2.369) 9.077 18.387 ( -2.865 -1.654 -3.469) 4.794 18.455 ( -1.294 -0.747 0.349) 1.534 21.448 ( -44.032 -25.422 45.680) 68.351 21.507 ( -2.686 -1.551 3.085) 4.374 27.392 ( 0.041 0.024 0.418) 0.421 27.552 ( 1.014 0.585 -1.335) 1.776 36.316 ( 7.947 4.588 4.074) 10.040 36.987 ( -0.881 -0.509 -3.943) 4.072 37.075 ( 3.778 2.182 -0.004) 4.363 38.567 ( 95.012 54.855 -107.590) 153.662 ======================= Grid point 164 (46/189) ======================= q-point: ( 0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 17.718 10.230 13.022) 24.252 1.355 ( 22.614 13.056 8.237) 27.380 2.706 ( 32.439 18.728 16.142) 40.787 2.935 ( -0.540 -0.311 -3.607) 3.661 3.420 ( 7.622 4.401 0.741) 8.832 4.924 ( -5.993 -3.460 17.523) 18.840 4.987 ( -11.138 -6.431 -3.580) 13.350 5.421 ( -6.937 -4.005 2.163) 8.298 6.391 ( 6.635 3.831 9.291) 12.042 6.897 ( 10.057 5.806 1.082) 11.663 7.025 ( 14.499 8.371 -5.368) 17.582 7.806 ( -3.785 -2.185 -4.739) 6.446 9.446 ( 12.263 7.080 9.519) 17.062 9.874 ( 15.490 8.943 -4.929) 18.553 11.394 ( -11.477 -6.627 -9.018) 16.030 11.608 ( -8.325 -4.807 -5.815) 11.235 11.823 ( -13.884 -8.016 15.939) 22.607 13.296 ( -20.193 -11.659 -2.088) 23.410 17.974 ( -6.052 -3.494 -7.642) 10.355 18.289 ( 2.249 1.298 3.376) 4.259 18.330 ( 0.443 0.256 -5.348) 5.372 18.434 ( 2.502 1.444 -0.765) 2.988 21.037 ( -14.398 -8.312 24.680) 29.757 21.429 ( -5.379 -3.106 2.686) 6.767 27.395 ( 0.148 0.085 -0.110) 0.203 27.580 ( 1.994 1.151 -1.974) 3.033 36.562 ( 10.649 6.148 4.828) 13.210 36.952 ( 0.061 0.035 -5.024) 5.025 37.220 ( 8.577 4.952 4.575) 10.909 39.382 ( 29.279 16.904 -67.391) 75.396 ======================= Grid point 165 (47/189) ======================= q-point: ( 0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 20.003 11.548 5.718) 23.794 1.893 ( 21.329 12.314 4.850) 25.102 2.965 ( 5.081 2.933 -3.290) 6.726 3.187 ( 6.160 3.556 3.600) 7.972 3.693 ( 13.969 8.065 -0.444) 16.136 4.636 ( -16.248 -9.381 -6.645) 19.903 4.924 ( -2.401 -1.386 20.523) 20.710 5.271 ( -9.042 -5.221 7.374) 12.782 6.639 ( 10.950 6.322 8.944) 15.488 7.129 ( 8.316 4.801 4.747) 10.712 7.309 ( 12.384 7.150 -7.549) 16.170 7.700 ( -3.128 -1.806 -5.439) 6.529 9.809 ( 14.568 8.411 9.866) 19.501 10.162 ( 11.845 6.839 -4.431) 14.377 11.080 ( -11.444 -6.607 -7.790) 15.340 11.305 ( -14.490 -8.366 -3.403) 17.075 11.685 ( -4.854 -2.802 8.825) 10.454 12.826 ( -19.960 -11.524 1.481) 23.095 17.762 ( -8.335 -4.812 -6.817) 11.794 18.207 ( -7.959 -4.595 3.589) 9.866 18.359 ( 4.011 2.315 -2.733) 5.377 18.576 ( 7.408 4.277 -3.238) 9.147 20.920 ( -5.761 -3.326 13.036) 14.635 21.296 ( -7.150 -4.128 1.797) 8.450 27.403 ( 0.924 0.533 -0.857) 1.368 27.615 ( 1.833 1.058 -1.785) 2.769 36.806 ( 8.180 4.723 4.031) 10.270 36.941 ( 1.264 0.730 -5.122) 5.326 37.535 ( 15.441 8.915 11.234) 21.074 39.460 ( 6.128 3.538 -46.018) 46.559 ======================= Grid point 166 (48/189) ======================= q-point: ( 0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 21.669 12.510 1.175) 25.048 2.363 ( 18.074 10.435 1.397) 20.916 3.121 ( 8.772 5.065 -2.061) 10.337 3.221 ( -2.082 -1.202 1.811) 3.010 3.846 ( 0.917 0.530 -9.566) 9.624 4.234 ( -15.170 -8.758 -2.946) 17.763 5.005 ( -1.412 -0.815 19.941) 20.007 5.075 ( -11.641 -6.721 8.424) 15.863 6.971 ( 13.508 7.799 9.067) 18.042 7.315 ( 5.658 3.266 7.025) 9.593 7.475 ( 5.873 3.391 -10.369) 12.390 7.603 ( -2.952 -1.704 -5.854) 6.774 10.179 ( 12.908 7.452 7.621) 16.740 10.358 ( 7.641 4.412 -6.312) 10.849 10.827 ( -7.403 -4.274 -3.229) 9.138 10.971 ( -12.156 -7.018 -5.241) 14.983 11.669 ( -0.281 -0.162 6.089) 6.098 12.431 ( -16.009 -9.243 4.983) 19.145 17.558 ( -5.808 -3.353 -6.610) 9.416 18.013 ( -10.149 -5.859 3.460) 12.219 18.482 ( 6.767 3.907 2.128) 8.099 18.681 ( 3.596 2.076 -6.119) 7.395 20.881 ( -2.491 -1.438 6.443) 7.056 21.137 ( -7.092 -4.094 1.157) 8.270 27.433 ( 2.270 1.311 -1.353) 2.950 27.639 ( 0.749 0.432 -0.899) 1.247 36.954 ( 2.034 1.174 -4.578) 5.145 36.972 ( 4.679 2.702 3.865) 6.643 38.018 ( 19.860 11.466 16.542) 28.276 39.244 ( -5.475 -3.161 -35.810) 36.363 ======================= Grid point 167 (49/189) ======================= q-point: ( 0.50 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( 12.863 7.426 -3.828) 15.338 2.777 ( 22.600 13.048 -3.049) 26.274 3.158 ( -4.047 -2.337 4.198) 6.282 3.214 ( -2.037 -1.176 -7.092) 7.471 3.683 ( -7.897 -4.560 -16.568) 18.912 4.045 ( -0.265 -0.153 11.078) 11.082 4.848 ( -11.156 -6.441 6.676) 14.509 5.010 ( -6.423 -3.708 15.864) 17.512 7.308 ( 11.175 6.452 7.062) 14.710 7.461 ( -1.726 -0.996 -12.931) 13.084 7.487 ( 6.133 3.541 10.266) 12.471 7.497 ( -3.778 -2.181 -5.764) 7.229 10.416 ( 5.671 3.274 -1.432) 6.703 10.443 ( 3.319 1.916 -7.420) 8.351 10.715 ( -7.276 -4.201 -7.854) 11.501 10.756 ( 0.666 0.384 7.206) 7.247 11.722 ( 2.563 1.480 3.264) 4.406 12.147 ( -11.991 -6.923 7.053) 15.539 17.452 ( -0.219 -0.127 -6.290) 6.295 17.806 ( -9.123 -5.267 3.826) 11.208 18.672 ( 7.343 4.239 6.572) 10.728 18.674 ( -0.676 -0.390 -8.199) 8.236 20.869 ( -0.450 -0.260 2.349) 2.406 20.998 ( -5.485 -3.167 0.875) 6.394 27.491 ( 3.332 1.924 -1.394) 4.092 27.636 ( -0.887 -0.512 0.333) 1.076 36.978 ( 1.809 1.045 -3.828) 4.361 37.066 ( 1.855 1.071 4.024) 4.559 38.583 ( 20.894 12.063 19.721) 31.161 38.866 ( -12.002 -6.929 -29.954) 33.005 ======================= Grid point 168 (50/189) ======================= q-point: (-0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( -4.033 -2.328 -13.127) 13.928 2.980 ( -7.434 -4.292 -2.953) 9.078 3.061 ( -0.360 -0.208 -1.548) 1.603 3.338 ( 19.041 10.993 -17.395) 28.036 3.397 ( -4.920 -2.840 1.018) 5.771 4.249 ( 6.164 3.559 19.991) 21.220 4.666 ( -6.037 -3.485 0.709) 7.006 4.920 ( -6.830 -3.943 12.872) 15.096 7.272 ( -8.360 -4.827 -13.318) 16.449 7.374 ( -4.191 -2.419 -6.104) 7.789 7.527 ( 5.962 3.442 4.683) 8.326 7.695 ( 5.643 3.258 11.604) 13.308 10.426 ( -2.807 -1.621 -9.123) 9.682 10.486 ( 3.433 1.982 -4.265) 5.823 10.574 ( 0.232 0.134 -6.648) 6.654 10.851 ( 1.889 1.091 9.400) 9.650 11.816 ( 5.188 2.995 -0.206) 5.994 11.942 ( -9.723 -5.613 7.545) 13.526 17.486 ( 5.923 3.420 -6.127) 9.183 17.667 ( -4.645 -2.682 5.083) 7.390 18.582 ( -3.097 -1.788 -8.252) 8.994 18.854 ( 4.357 2.515 8.663) 10.017 20.893 ( 2.143 1.237 0.116) 2.478 20.897 ( -3.841 -2.218 0.379) 4.452 27.562 ( 3.342 1.929 -1.075) 4.006 27.603 ( -2.416 -1.395 1.427) 3.133 36.988 ( 0.489 0.283 -3.116) 3.167 37.104 ( -0.238 -0.137 4.075) 4.085 38.407 ( -15.159 -8.752 -25.384) 30.834 39.155 ( 19.673 11.358 20.724) 30.749 ======================= Grid point 169 (51/189) ======================= q-point: (-0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( -15.225 -8.790 -9.699) 20.078 2.658 ( -16.340 -9.434 -7.210) 20.199 3.156 ( 5.270 3.043 -0.979) 6.164 3.205 ( -1.622 -0.937 -12.610) 12.749 3.890 ( 22.887 13.214 5.211) 26.936 4.390 ( -4.243 -2.449 20.788) 21.357 4.577 ( -1.355 -0.782 -7.734) 7.890 4.874 ( -1.816 -1.049 8.565) 8.818 6.966 ( -11.996 -6.926 -12.346) 18.556 7.250 ( -3.841 -2.218 -5.839) 7.333 7.653 ( 3.304 1.908 3.846) 5.417 7.809 ( -0.920 -0.531 8.985) 9.047 10.222 ( -9.242 -5.336 -9.925) 14.573 10.511 ( -1.037 -0.598 -4.119) 4.289 10.664 ( 8.388 4.843 -2.355) 9.968 10.952 ( 4.983 2.877 7.189) 9.208 11.777 ( -8.199 -4.734 7.315) 11.964 11.978 ( 10.418 6.015 -2.979) 12.393 17.640 ( 9.921 5.728 -6.371) 13.108 17.660 ( 1.398 0.807 6.738) 6.929 18.472 ( -2.786 -1.608 -6.358) 7.126 18.932 ( -1.581 -0.913 7.619) 7.834 20.818 ( -3.202 -1.848 -0.527) 3.734 20.975 ( 5.191 2.997 -0.430) 6.009 27.547 ( -3.154 -1.821 1.996) 4.153 27.623 ( 2.241 1.294 -0.624) 2.662 36.962 ( -1.637 -0.945 -2.374) 3.035 37.105 ( -1.356 -0.783 4.126) 4.413 37.930 ( -15.686 -9.056 -20.908) 27.662 39.680 ( 16.939 9.780 19.377) 27.533 ======================= Grid point 170 (52/189) ======================= q-point: (-0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -17.575 -10.147 -4.067) 20.698 2.237 ( -17.176 -9.917 -5.255) 20.518 3.126 ( -2.122 -1.225 -2.813) 3.731 3.245 ( 2.497 1.441 -0.782) 2.987 4.199 ( -19.682 -11.364 3.033) 22.929 4.433 ( 21.907 12.648 5.821) 25.957 4.536 ( 0.727 0.420 0.663) 1.069 4.923 ( 3.247 1.875 2.453) 4.480 6.623 ( -12.423 -7.173 -10.394) 17.715 7.136 ( -3.909 -2.257 -5.168) 6.862 7.693 ( -4.663 -2.692 3.360) 6.347 7.769 ( -2.100 -1.213 4.669) 5.261 9.928 ( -12.485 -7.208 -6.569) 15.843 10.372 ( -7.805 -4.506 -6.182) 10.929 10.906 ( 13.012 7.513 -0.041) 15.025 11.189 ( 11.623 6.711 8.038) 15.644 11.649 ( -5.926 -3.421 6.209) 9.240 12.282 ( 18.069 10.432 -3.785) 21.204 17.789 ( 6.132 3.541 7.762) 10.506 17.847 ( 10.801 6.236 -6.658) 14.139 18.403 ( -0.760 -0.439 -3.923) 4.020 18.858 ( -7.551 -4.359 4.548) 9.834 20.739 ( -3.367 -1.944 -1.215) 4.073 21.115 ( 6.853 3.956 -0.124) 7.914 27.486 ( -2.903 -1.676 1.879) 3.843 27.653 ( 0.548 0.316 -0.315) 0.706 36.880 ( -4.914 -2.837 -1.814) 5.957 37.092 ( -1.554 -0.897 4.105) 4.481 37.497 ( -13.173 -7.606 -15.997) 22.075 40.118 ( 13.385 7.728 15.409) 21.824 ======================= Grid point 171 (53/189) ======================= q-point: (-0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -19.908 -11.494 2.104) 23.084 1.816 ( -19.360 -11.177 1.058) 22.380 3.081 ( -1.702 -0.983 3.117) 3.685 3.188 ( -12.953 -7.478 -1.362) 15.019 3.623 ( -23.517 -13.577 -4.842) 27.583 4.593 ( 2.650 1.530 3.938) 4.987 4.915 ( 14.310 8.262 9.740) 19.181 5.040 ( 9.369 5.409 -5.793) 12.272 6.315 ( -9.884 -5.707 -7.858) 13.857 7.006 ( -5.440 -3.141 -4.109) 7.506 7.462 ( -14.457 -8.347 2.445) 16.872 7.805 ( 2.256 1.302 1.011) 2.794 9.604 ( -13.397 -7.735 -2.400) 15.655 10.136 ( -9.171 -5.295 -7.187) 12.798 11.230 ( 14.541 8.395 0.899) 16.815 11.515 ( 12.158 7.019 7.912) 16.115 11.586 ( -1.924 -1.111 5.911) 6.314 12.750 ( 23.912 13.806 -2.943) 27.768 17.997 ( 8.015 4.627 7.514) 11.921 18.044 ( 9.080 5.242 -6.333) 12.248 18.393 ( 1.147 0.662 -2.898) 3.186 18.656 ( -10.902 -6.294 1.383) 12.664 20.655 ( -3.535 -2.041 0.078) 4.083 21.269 ( 6.351 3.667 0.224) 7.337 27.438 ( -2.062 -1.191 1.243) 2.686 27.645 ( -1.024 -0.591 -0.362) 1.236 36.698 ( -10.046 -5.800 -2.967) 11.973 37.080 ( -1.257 -0.726 3.678) 3.954 37.201 ( -6.573 -3.795 -9.460) 12.128 40.441 ( 9.557 5.518 6.690) 12.905 ======================= Grid point 172 (54/189) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -22.411 -12.939 9.188) 27.461 1.349 ( -23.894 -13.795 8.373) 28.833 2.405 ( -46.402 -26.790 -3.041) 53.667 3.081 ( -0.486 -0.280 5.267) 5.297 3.367 ( -3.829 -2.211 -4.259) 6.139 4.688 ( 3.132 1.808 7.619) 8.434 5.082 ( 3.023 1.745 2.390) 4.231 5.362 ( 14.693 8.483 -1.368) 17.021 6.113 ( -4.837 -2.792 -3.581) 6.634 6.853 ( -6.038 -3.486 -3.101) 7.631 7.114 ( -15.770 -9.105 0.393) 18.214 7.872 ( 3.426 1.978 -0.658) 4.010 9.312 ( -11.660 -6.732 1.413) 13.538 9.895 ( -8.490 -4.902 -8.111) 12.724 11.544 ( 12.145 7.012 0.099) 14.024 11.613 ( 3.207 1.852 0.395) 3.724 11.806 ( 7.557 4.363 13.574) 16.137 13.294 ( 23.712 13.690 -2.027) 27.455 18.162 ( 2.021 1.167 -4.579) 5.139 18.205 ( 6.639 3.833 4.657) 8.970 18.408 ( 1.590 0.918 -4.516) 4.875 18.430 ( -6.570 -3.793 -1.016) 7.655 20.605 ( -1.739 -1.004 9.625) 9.832 21.397 ( 4.571 2.639 0.720) 5.327 27.406 ( -1.147 -0.662 0.570) 1.442 27.608 ( -1.788 -1.032 -0.757) 2.199 36.434 ( -10.446 -6.031 -3.148) 12.466 37.072 ( -1.001 -0.578 2.481) 2.738 37.075 ( -2.109 -1.217 -4.535) 5.147 40.579 ( 2.943 1.699 -19.215) 19.514 ======================= Grid point 175 (55/189) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -0.000 23.241 17.071) 28.836 1.186 ( -0.000 22.542 24.652) 33.405 1.714 ( -0.000 34.381 35.903) 49.710 3.122 ( 0.000 5.251 -6.051) 8.012 3.156 ( -0.000 2.104 2.952) 3.625 5.109 ( -0.000 -7.483 13.668) 15.583 5.192 ( -0.000 -2.941 3.810) 4.813 5.538 ( 0.000 -6.439 -6.072) 8.850 6.201 ( -0.000 -3.116 11.699) 12.107 6.644 ( 0.000 3.829 -5.644) 6.820 6.754 ( -0.000 12.952 -4.141) 13.598 7.891 ( 0.000 -3.340 -4.849) 5.888 9.230 ( -0.000 7.887 11.159) 13.665 9.439 ( -0.000 19.605 -1.752) 19.683 11.645 ( 0.000 -5.753 -8.149) 9.975 11.680 ( 0.000 -6.506 -7.363) 9.825 12.325 ( -0.000 -8.969 13.111) 15.885 13.677 ( 0.000 -16.858 -5.664) 17.784 18.047 ( -0.000 4.630 -0.513) 4.659 18.111 ( -0.000 5.337 -3.784) 6.542 18.369 ( 0.000 -4.124 -3.084) 5.150 18.447 ( 0.000 -2.244 0.526) 2.305 21.526 ( -0.000 -3.155 3.837) 4.967 21.661 ( 0.000 -50.944 35.158) 61.898 27.399 ( -0.000 0.496 0.664) 0.829 27.544 ( 0.000 0.635 -1.378) 1.518 36.232 ( -0.000 4.647 0.779) 4.712 36.978 ( 0.000 -0.188 -3.949) 3.953 37.050 ( -0.000 2.692 -1.319) 2.998 38.168 ( -0.000 111.613 -79.416) 136.983 ======================= Grid point 176 (56/189) ======================= q-point: ( 0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 3.631 17.334 17.311) 24.765 1.428 ( -0.525 25.985 15.294) 30.156 2.517 ( 25.151 27.737 23.087) 43.988 3.003 ( -6.546 3.166 -3.211) 7.949 3.321 ( 8.630 2.577 -1.716) 9.168 5.073 ( -5.113 -4.988 14.406) 16.080 5.088 ( -8.234 -5.688 1.424) 10.109 5.438 ( -1.345 -6.528 0.295) 6.671 6.355 ( 9.509 1.167 10.464) 14.187 6.666 ( 5.510 1.852 -3.129) 6.601 7.000 ( 9.975 17.722 -5.948) 21.189 7.807 ( -2.341 -3.156 -5.449) 6.718 9.424 ( 5.661 9.482 11.971) 16.287 9.716 ( 11.299 12.336 -0.940) 16.756 11.443 ( -8.224 -7.562 -9.517) 14.676 11.586 ( -0.425 -6.980 -7.934) 10.575 12.144 ( -17.671 -6.051 15.367) 24.187 13.369 ( -9.343 -21.117 -4.624) 23.550 18.045 ( -6.700 3.045 -5.661) 9.285 18.138 ( 5.122 -5.712 -1.140) 7.757 18.360 ( 1.697 2.932 -2.539) 4.233 18.423 ( 0.700 -0.841 0.597) 1.246 21.285 ( -13.211 -22.766 25.912) 36.936 21.480 ( -3.042 -4.808 3.617) 6.742 27.406 ( -0.449 1.012 0.461) 1.199 27.555 ( 1.202 1.373 -2.133) 2.807 36.425 ( 12.540 4.775 2.076) 13.578 36.941 ( -1.263 0.781 -4.779) 5.004 37.141 ( 7.062 3.764 1.405) 8.125 38.896 ( 20.773 54.614 -65.274) 87.607 ======================= Grid point 177 (57/189) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 7.666 13.123 12.147) 19.456 1.851 ( 11.571 21.523 7.928) 25.690 2.873 ( 0.457 -0.557 -2.691) 2.786 3.196 ( 8.788 12.268 7.083) 16.670 3.540 ( 13.675 8.396 -0.309) 16.049 4.789 ( -14.687 -8.147 -4.898) 17.495 5.066 ( -3.221 -2.289 20.033) 20.419 5.355 ( -3.877 -6.453 6.340) 9.842 6.591 ( 8.161 7.239 6.673) 12.788 6.856 ( 15.893 -2.840 1.895) 16.256 7.305 ( 7.718 17.774 -6.603) 20.472 7.708 ( -2.889 -1.393 -5.698) 6.539 9.726 ( 11.011 9.281 11.940) 18.707 10.006 ( 11.499 7.384 -1.946) 13.803 11.150 ( -10.326 -8.188 -10.079) 16.591 11.421 ( -7.238 -5.945 -7.215) 11.823 11.864 ( -15.417 -4.934 14.582) 21.787 12.947 ( -12.662 -20.800 -1.489) 24.396 17.852 ( -10.317 -3.476 -4.378) 11.734 18.181 ( 5.897 -4.765 -0.160) 7.583 18.305 ( -2.398 -4.263 -2.458) 5.474 18.548 ( 4.548 9.324 -2.031) 10.571 21.062 ( -8.133 -9.297 15.725) 19.997 21.368 ( -5.583 -5.962 2.561) 8.560 27.410 ( -0.567 1.724 -0.125) 1.819 27.586 ( 1.921 1.612 -2.321) 3.417 36.700 ( 11.730 4.197 2.565) 12.720 36.914 ( -0.037 1.731 -5.170) 5.452 37.397 ( 14.865 6.258 7.406) 17.747 39.207 ( 7.029 23.627 -48.224) 54.159 ======================= Grid point 178 (58/189) ======================= q-point: ( 0.42 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 15.597 9.504 2.211) 18.398 2.295 ( 13.053 17.465 6.263) 22.686 2.879 ( 6.739 -7.718 -3.229) 10.743 3.362 ( 0.394 9.396 1.232) 9.485 3.786 ( 4.626 4.294 -4.020) 7.484 4.416 ( -16.369 -7.322 -2.686) 18.132 5.117 ( -1.562 -3.034 17.346) 17.679 5.231 ( -7.941 -5.238 10.125) 13.893 6.866 ( 11.540 7.453 5.740) 14.889 7.103 ( 14.302 -4.136 3.380) 15.267 7.516 ( 2.343 14.059 -6.792) 15.788 7.626 ( -3.275 1.375 -5.399) 6.462 10.076 ( 12.298 7.628 8.722) 16.896 10.229 ( 9.338 4.996 -2.838) 10.964 10.851 ( -8.073 -9.153 -8.289) 14.753 11.158 ( -13.969 -1.701 -5.058) 14.954 11.716 ( -4.789 -4.157 10.172) 11.987 12.547 ( -11.202 -18.289 2.281) 21.568 17.623 ( -9.033 -3.273 -4.280) 10.518 18.108 ( -7.141 -8.009 3.744) 11.364 18.343 ( 10.250 0.071 -3.037) 10.690 18.673 ( 1.593 7.639 -4.044) 8.789 20.957 ( -4.584 -4.175 8.685) 10.671 21.212 ( -6.491 -5.960 1.487) 8.937 27.426 ( 0.305 2.685 -0.651) 2.780 27.621 ( 1.585 1.291 -1.728) 2.677 36.913 ( 7.153 2.438 2.496) 7.959 36.921 ( 1.744 2.651 -4.543) 5.541 37.840 ( 21.428 8.408 13.121) 26.496 39.155 ( -4.685 9.246 -37.054) 38.477 ======================= Grid point 179 (59/189) ======================= q-point: ( 0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 18.940 4.141 -6.971) 20.602 2.684 ( 10.601 15.016 -1.141) 18.416 2.896 ( 10.422 -15.726 1.768) 18.949 3.428 ( -6.672 8.915 -0.975) 11.178 3.757 ( -6.586 3.146 -9.122) 11.682 4.142 ( -6.621 -1.910 5.633) 8.900 4.998 ( -9.609 -9.054 7.934) 15.403 5.173 ( -6.144 -2.492 15.289) 16.664 7.140 ( 11.065 0.300 1.445) 11.163 7.288 ( 9.698 -3.704 2.705) 10.728 7.573 ( -4.125 7.065 -4.281) 9.234 7.607 ( -1.067 9.866 -2.504) 10.235 10.300 ( 6.808 2.002 -4.841) 8.590 10.422 ( 4.361 7.902 -0.396) 9.035 10.654 ( 0.191 -8.368 -2.323) 8.687 10.909 ( -11.423 1.896 -2.344) 11.814 11.695 ( 1.173 -3.937 6.343) 7.558 12.238 ( -7.815 -15.592 5.375) 18.251 17.460 ( -4.743 -0.543 -4.278) 6.411 17.907 ( -8.323 -7.730 2.815) 11.703 18.534 ( 10.438 1.011 0.022) 10.487 18.713 ( -0.770 5.137 -3.642) 6.344 20.902 ( -2.428 -1.826 4.005) 5.027 21.060 ( -5.594 -4.732 0.943) 7.388 27.469 ( 1.591 3.500 -0.890) 3.947 27.642 ( 0.341 0.520 -0.564) 0.840 36.948 ( 1.494 2.752 -3.892) 4.995 37.048 ( 4.232 1.151 3.124) 5.385 38.398 ( 23.943 8.724 16.282) 30.240 38.880 ( -12.230 1.718 -29.841) 32.296 ======================= Grid point 180 (60/189) ======================= q-point: ( 0.58 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 11.016 -10.740 -14.468) 21.119 2.807 ( 9.692 -8.174 -7.600) 14.782 3.126 ( 9.814 9.441 1.703) 13.724 3.250 ( -11.057 -0.114 -2.155) 11.266 3.571 ( -12.181 7.226 -7.140) 15.861 4.279 ( 8.069 8.997 11.010) 16.349 4.786 ( -9.696 -7.295 7.801) 14.425 5.079 ( -8.022 -5.144 12.990) 16.111 7.194 ( 1.351 -6.850 -8.468) 10.975 7.330 ( 0.581 -5.640 -2.181) 6.075 7.600 ( -2.201 10.576 -0.380) 10.809 7.734 ( 3.706 8.275 7.937) 12.050 10.362 ( 3.469 1.100 -8.542) 9.285 10.466 ( 0.195 3.736 -6.212) 7.252 10.581 ( -5.020 0.482 -6.594) 8.301 10.870 ( 2.174 0.218 8.767) 9.035 11.729 ( 4.604 -4.123 2.796) 6.783 12.018 ( -5.406 -13.438 7.185) 16.169 17.416 ( 1.377 2.311 -4.643) 5.366 17.732 ( -5.422 -5.898 3.620) 8.791 18.586 ( -2.301 0.893 -7.608) 7.998 18.825 ( 7.135 2.978 6.596) 10.163 20.882 ( -0.016 -0.137 1.072) 1.081 20.943 ( -4.150 -3.139 0.646) 5.243 27.534 ( 2.271 3.478 -0.960) 4.263 27.635 ( -1.316 -0.220 0.760) 1.535 36.975 ( 0.604 2.250 -2.982) 3.784 37.118 ( 1.407 0.228 3.344) 3.635 38.476 ( -16.039 -2.700 -24.973) 29.802 38.986 ( 23.297 8.182 17.488) 30.258 ======================= Grid point 181 (61/189) ======================= q-point: (-0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 1.687 -19.301 -14.027) 23.920 2.809 ( -19.777 -9.369 -4.309) 22.304 2.891 ( 10.363 -6.052 -7.010) 13.898 3.408 ( -7.006 19.669 -14.645) 25.504 3.666 ( 18.891 7.202 10.993) 23.013 4.516 ( 1.734 7.312 0.871) 7.565 4.635 ( -6.465 -4.290 14.173) 16.158 4.975 ( -5.589 -3.902 11.536) 13.399 7.009 ( -7.737 -6.569 -10.837) 14.847 7.235 ( -2.650 -5.067 -3.862) 6.900 7.676 ( 0.258 5.791 2.649) 6.373 7.890 ( 0.375 5.067 7.747) 9.265 10.284 ( -7.721 -0.905 -10.312) 12.913 10.484 ( 1.261 2.289 -5.134) 5.761 10.566 ( 5.546 3.906 -4.274) 8.018 10.955 ( 2.237 1.368 6.714) 7.208 11.806 ( 6.521 -5.155 1.254) 8.406 11.861 ( -1.852 -8.900 6.642) 11.258 17.494 ( 7.180 3.237 -5.450) 9.578 17.666 ( 0.342 -2.995 5.308) 6.104 18.495 ( -3.979 1.209 -6.835) 8.001 18.972 ( 2.325 0.732 7.161) 7.564 20.857 ( -3.446 -2.064 0.292) 4.027 20.919 ( 3.507 1.492 -0.160) 3.815 27.577 ( -0.659 -0.377 -0.039) 0.761 27.621 ( -0.147 2.339 0.795) 2.475 36.975 ( -1.193 1.092 -2.065) 2.623 37.143 ( -0.539 0.023 3.404) 3.447 38.030 ( -17.533 -4.433 -20.231) 27.136 39.530 ( 21.139 6.471 15.532) 27.018 ======================= Grid point 182 (62/189) ======================= q-point: (-0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -2.777 -14.649 -8.552) 17.188 2.343 ( -19.300 -12.168 -2.381) 22.940 2.966 ( 8.070 -5.196 -4.293) 10.514 3.398 ( -6.733 13.948 -6.254) 16.703 4.166 ( 23.208 8.608 4.176) 25.102 4.446 ( -10.505 1.447 -8.520) 13.603 4.596 ( -6.533 -2.771 17.435) 18.824 4.945 ( -1.205 -1.220 8.408) 8.582 6.730 ( -11.843 -4.366 -8.433) 15.180 7.115 ( -2.932 -5.403 -3.793) 7.223 7.734 ( 0.096 2.617 1.794) 3.174 7.904 ( -6.808 2.049 4.921) 8.647 10.041 ( -11.880 -3.783 -6.479) 14.051 10.432 ( -5.486 -0.894 -6.042) 8.210 10.753 ( 11.863 6.246 -2.555) 13.648 11.105 ( 8.638 5.459 5.173) 11.453 11.706 ( -3.602 -10.681 8.330) 14.016 12.030 ( 16.338 2.375 -1.874) 16.615 17.649 ( 10.943 2.004 -5.841) 12.566 17.738 ( 6.110 -0.603 6.387) 8.860 18.426 ( -2.597 2.967 -4.924) 6.308 18.972 ( -5.387 -1.649 4.629) 7.291 20.781 ( -3.580 -1.572 0.340) 3.925 21.028 ( 6.696 2.477 -0.064) 7.139 27.531 ( -2.875 -1.567 1.295) 3.521 27.656 ( 0.286 2.214 -0.326) 2.256 36.930 ( -3.637 -0.391 -1.187) 3.846 37.143 ( -1.578 0.476 3.358) 3.741 37.598 ( -16.462 -4.326 -15.264) 22.863 39.983 ( 17.517 4.197 10.142) 20.672 ======================= Grid point 183 (63/189) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -19.817 -11.157 3.450) 23.002 1.953 ( -7.361 -10.262 -1.501) 12.718 3.017 ( 4.794 -4.048 -0.831) 6.329 3.364 ( -8.004 7.591 -3.909) 11.703 4.006 ( -30.410 -4.895 -4.954) 31.198 4.594 ( 1.021 -1.603 10.372) 10.544 4.686 ( 22.766 7.625 1.084) 24.034 4.982 ( 1.743 -0.170 5.547) 5.817 6.457 ( -12.862 -0.145 -4.527) 13.636 6.981 ( -3.590 -7.377 -2.806) 8.671 7.710 ( -11.068 2.114 0.023) 11.268 7.802 ( -2.733 0.105 1.534) 3.135 9.756 ( -13.450 -4.932 -1.509) 14.405 10.247 ( -10.369 -0.222 -6.831) 12.419 11.043 ( 15.156 6.317 -1.438) 16.483 11.377 ( 12.646 4.693 3.418) 13.915 11.613 ( -0.538 -8.355 9.452) 12.626 12.413 ( 24.319 6.234 -2.169) 25.198 17.832 ( 12.332 0.349 -5.869) 13.662 17.908 ( 9.415 0.085 6.857) 11.647 18.410 ( -1.107 4.595 -4.434) 6.481 18.818 ( -11.261 -2.853 1.548) 11.719 20.710 ( -3.661 -1.186 2.257) 4.461 21.179 ( 7.639 2.247 0.405) 7.973 27.474 ( -2.695 -1.254 1.092) 3.167 27.662 ( -1.083 0.921 -0.765) 1.615 36.815 ( -8.495 -1.743 -1.287) 8.766 37.135 ( -1.904 0.781 2.238) 3.040 37.255 ( -11.354 -2.033 -8.624) 14.402 40.301 ( 12.867 1.374 -0.224) 12.942 ======================= Grid point 184 (64/189) ======================= q-point: (-0.08 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -20.427 -12.846 9.431) 25.908 1.695 ( -17.409 -3.957 4.702) 18.462 3.016 ( -19.784 -6.970 -3.811) 21.320 3.064 ( -15.938 -0.577 3.017) 16.231 3.495 ( -15.084 1.617 -2.697) 15.409 4.677 ( 3.856 -1.049 10.715) 11.436 5.022 ( 7.415 -1.795 -3.371) 8.340 5.142 ( 15.941 5.214 5.634) 17.693 6.265 ( -10.863 5.223 0.885) 12.086 6.824 ( -4.221 -7.506 -1.729) 8.783 7.435 ( -20.130 1.646 -1.708) 20.270 7.820 ( 2.815 0.138 -1.313) 3.109 9.487 ( -13.380 -3.212 2.968) 14.076 10.027 ( -12.045 1.917 -6.401) 13.774 11.341 ( 14.428 2.147 -1.176) 14.634 11.557 ( 5.902 1.059 -2.957) 6.686 11.707 ( 10.935 -5.153 13.589) 18.187 12.926 ( 28.210 6.402 -1.739) 28.980 18.008 ( 11.189 -0.261 -4.574) 12.091 18.102 ( 8.865 -0.856 4.760) 10.098 18.412 ( -0.872 3.839 -6.458) 7.563 18.583 ( -12.746 -1.514 0.198) 12.837 20.679 ( -1.489 -0.319 9.476) 9.597 21.324 ( 6.674 1.196 0.990) 6.852 27.428 ( -1.892 -0.825 0.536) 2.132 27.632 ( -2.131 0.074 -1.293) 2.494 36.599 ( -13.118 -0.463 -1.583) 13.221 37.072 ( -2.638 -1.682 -5.860) 6.643 37.136 ( -3.988 2.612 4.028) 6.241 40.406 ( 4.462 -2.373 -21.690) 22.271 ======================= Grid point 188 (65/189) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -0.000 19.445 10.695) 22.192 1.808 ( -0.000 16.497 18.803) 25.014 2.738 ( -0.000 35.022 23.939) 42.422 3.142 ( 0.000 5.691 -8.425) 10.167 3.159 ( 0.000 -4.074 -2.147) 4.605 5.090 ( 0.000 -8.999 -3.551) 9.674 5.148 ( -0.000 -5.109 15.473) 16.295 5.401 ( -0.000 -4.049 5.559) 6.877 6.304 ( -0.000 0.397 13.713) 13.719 6.677 ( 0.000 6.221 -7.595) 9.818 7.048 ( -0.000 20.356 -4.774) 20.908 7.766 ( 0.000 -2.796 -5.889) 6.519 9.548 ( -0.000 10.075 13.411) 16.774 9.750 ( -0.000 12.032 2.499) 12.289 11.392 ( 0.000 -13.438 -9.549) 16.485 11.454 ( 0.000 -3.673 -9.480) 10.167 12.324 ( -0.000 -6.112 13.119) 14.473 13.177 ( 0.000 -26.273 -5.395) 26.821 18.016 ( 0.000 -7.853 -4.381) 8.992 18.132 ( 0.000 1.254 -3.377) 3.603 18.370 ( -0.000 9.859 -2.783) 10.244 18.385 ( 0.000 -5.320 2.431) 5.849 21.279 ( -0.000 -22.393 20.788) 30.555 21.471 ( 0.000 -6.576 3.733) 7.562 27.428 ( -0.000 1.844 0.807) 2.012 27.545 ( 0.000 1.336 -2.583) 2.908 36.376 ( -0.000 9.290 -0.373) 9.298 36.950 ( 0.000 1.390 -3.141) 3.435 37.104 ( -0.000 3.695 -0.432) 3.720 39.003 ( 0.000 52.585 -51.553) 73.641 ======================= Grid point 189 (66/189) ======================= q-point: ( 0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 2.092 15.081 9.501) 17.946 1.991 ( -1.610 13.822 14.458) 20.067 2.942 ( -8.819 -1.344 -6.033) 10.769 3.172 ( 8.656 5.972 4.116) 11.293 3.421 ( 13.177 19.750 3.887) 24.059 4.886 ( -8.678 -10.311 -4.465) 14.197 5.166 ( -1.333 -4.842 15.675) 16.460 5.397 ( -2.465 -2.246 10.007) 10.548 6.501 ( 11.394 2.352 10.794) 15.870 6.719 ( 2.917 6.444 -3.812) 8.035 7.300 ( 7.452 18.704 -6.683) 21.214 7.707 ( -1.219 -0.063 -5.578) 5.710 9.753 ( 4.813 9.116 13.436) 16.935 9.926 ( 6.272 7.942 1.921) 10.301 11.139 ( -6.054 -13.299 -10.767) 18.151 11.375 ( -0.551 -4.119 -8.717) 9.656 12.188 ( -15.522 -4.894 13.568) 21.189 12.846 ( -4.774 -25.787 -3.629) 26.475 17.895 ( -1.599 -12.178 -2.469) 12.528 18.093 ( -0.886 3.811 -5.652) 6.874 18.297 ( -3.543 -6.290 2.364) 7.596 18.544 ( 5.545 10.870 -2.502) 12.456 21.143 ( -4.663 -13.355 14.564) 20.303 21.389 ( -3.077 -7.880 2.876) 8.935 27.446 ( -0.871 2.547 0.592) 2.757 27.558 ( 1.561 1.532 -2.865) 3.604 36.562 ( 9.695 8.118 -0.647) 12.661 36.928 ( -1.862 2.322 -3.253) 4.409 37.248 ( 11.249 4.452 3.297) 12.539 39.212 ( 0.199 33.917 -40.467) 52.801 ======================= Grid point 190 (67/189) ======================= q-point: ( 0.42 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 0.889 12.391 6.464) 14.004 2.260 ( 11.685 7.805 11.640) 18.247 2.762 ( -3.484 -6.123 -8.203) 10.813 3.348 ( 8.787 4.209 -2.891) 10.163 3.788 ( 3.789 14.809 3.445) 15.669 4.580 ( -12.797 -9.677 -2.274) 16.204 5.164 ( -1.603 -6.611 11.238) 13.136 5.371 ( -5.325 -1.240 12.478) 13.624 6.777 ( 11.005 5.245 4.179) 12.887 6.881 ( 10.237 2.256 3.685) 11.112 7.530 ( 5.157 11.594 -7.791) 14.890 7.685 ( -1.491 6.640 -4.606) 8.218 10.014 ( 8.379 6.127 8.801) 13.609 10.125 ( 8.749 5.626 3.175) 10.875 10.836 ( -7.490 -11.947 -10.836) 17.784 11.256 ( -4.406 -3.081 -7.543) 9.263 11.926 ( -16.285 -3.274 12.660) 20.886 12.494 ( -6.596 -22.636 -0.651) 23.586 17.711 ( -6.383 -8.111 -0.386) 10.328 18.154 ( 3.024 -3.171 -8.266) 9.355 18.164 ( -1.052 -1.929 5.662) 6.073 18.700 ( 2.395 9.323 -4.098) 10.462 21.028 ( -4.288 -7.001 9.067) 12.232 21.251 ( -4.912 -7.953 1.668) 9.495 27.460 ( -0.774 3.158 0.205) 3.258 27.593 ( 2.085 1.711 -2.585) 3.736 36.797 ( 9.717 4.740 -0.535) 10.825 36.917 ( -0.303 3.227 -3.576) 4.826 37.605 ( 20.363 5.613 8.943) 22.938 39.224 ( -7.406 19.502 -31.793) 38.026 ======================= Grid point 191 (68/189) ======================= q-point: ( 0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 6.111 8.606 -1.939) 10.732 2.573 ( 9.924 -15.557 1.419) 18.507 2.658 ( 6.619 7.978 2.139) 10.585 3.534 ( 5.214 8.534 -2.934) 10.422 3.881 ( -5.879 10.268 -1.183) 11.890 4.272 ( -10.847 -7.889 2.331) 13.614 5.071 ( -5.541 -9.098 6.696) 12.582 5.316 ( -6.065 -3.478 10.279) 12.431 7.003 ( 7.568 3.535 0.542) 8.371 7.099 ( 11.255 -1.909 5.077) 12.494 7.638 ( 2.303 7.379 -3.093) 8.326 7.727 ( -2.526 11.623 -5.274) 13.011 10.193 ( 6.339 2.981 -2.776) 7.535 10.402 ( 11.066 5.972 9.861) 15.980 10.569 ( -4.940 -8.032 -9.423) 13.331 11.082 ( -9.006 -1.310 -6.081) 10.945 11.737 ( -8.289 -4.058 9.208) 13.037 12.185 ( -5.236 -19.844 2.211) 20.642 17.541 ( -6.508 -2.827 0.117) 7.097 17.970 ( -7.126 -8.700 1.038) 11.294 18.352 ( 12.129 3.115 -0.538) 12.535 18.758 ( -1.293 5.980 -5.442) 8.188 20.949 ( -3.211 -3.519 4.897) 6.832 21.099 ( -4.808 -6.487 0.885) 8.122 27.490 ( 0.236 3.906 -0.010) 3.913 27.628 ( 1.481 1.253 -1.740) 2.606 36.940 ( 0.974 3.776 -3.426) 5.191 36.973 ( 6.977 2.009 0.512) 7.279 38.116 ( 25.533 5.544 12.311) 28.883 39.027 ( -14.718 10.246 -25.248) 30.969 ======================= Grid point 192 (69/189) ======================= q-point: ( 0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 2.319 -3.174 -11.808) 12.445 2.498 ( 10.244 -12.964 -5.039) 17.274 3.007 ( 14.836 6.644 9.815) 18.990 3.485 ( -15.109 -0.056 -3.560) 15.523 3.839 ( -11.177 13.440 -6.100) 18.514 4.244 ( 9.214 3.155 8.150) 12.700 4.895 ( -7.795 -8.485 6.163) 13.067 5.196 ( -6.342 -7.652 7.526) 12.467 7.086 ( 1.817 -1.418 -3.376) 4.088 7.228 ( 4.981 -4.722 0.962) 6.931 7.750 ( -3.517 10.488 -2.396) 11.319 7.783 ( 4.054 8.727 2.835) 10.032 10.282 ( 3.567 3.254 -6.466) 8.070 10.442 ( 0.840 -1.256 -7.215) 7.372 10.642 ( 2.399 6.232 2.953) 7.302 10.900 ( -5.015 -2.210 0.296) 5.489 11.646 ( -0.794 -6.773 4.964) 8.434 11.951 ( -2.419 -17.944 4.442) 18.643 17.445 ( -3.650 1.280 -0.539) 3.905 17.777 ( -6.038 -7.695 1.633) 9.917 18.570 ( 5.826 4.179 -2.219) 7.505 18.759 ( 2.805 1.816 -1.194) 3.549 20.900 ( -1.776 -1.402 1.999) 3.019 20.977 ( -3.681 -4.242 0.581) 5.647 27.542 ( 1.035 4.194 -0.296) 4.330 27.645 ( 0.265 0.376 -0.436) 0.634 36.978 ( 0.773 3.524 -2.559) 4.423 37.084 ( 4.240 0.497 1.039) 4.394 38.629 ( 0.672 4.658 -6.505) 8.029 38.739 ( 6.688 4.279 -0.440) 7.952 ======================= Grid point 193 (70/189) ======================= q-point: (-0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 0.156 -14.458 -12.098) 18.852 2.597 ( 12.554 -5.978 -5.684) 15.021 3.084 ( -22.036 -5.343 -3.205) 22.900 3.407 ( 17.504 7.565 4.855) 19.678 3.746 ( -11.492 14.064 -4.314) 18.668 4.517 ( 6.865 6.908 0.248) 9.742 4.750 ( -3.681 -5.444 11.541) 13.281 5.061 ( -4.254 -7.748 7.561) 11.632 7.011 ( -4.435 -3.180 -6.073) 8.165 7.207 ( -0.887 -4.669 -1.302) 4.928 7.772 ( -2.727 6.642 0.484) 7.196 7.955 ( 2.864 6.534 4.826) 8.613 10.321 ( 0.144 4.307 -8.478) 9.511 10.465 ( 2.895 3.099 -5.024) 6.574 10.577 ( -7.786 3.538 -4.519) 9.673 10.944 ( 4.354 -0.189 6.181) 7.563 11.631 ( 5.569 -7.577 2.008) 9.615 11.791 ( -0.126 -15.780 5.910) 16.851 17.434 ( 0.753 2.783 -2.281) 3.676 17.655 ( -1.569 -5.553 3.369) 6.682 18.556 ( -4.639 3.416 -6.341) 8.567 18.919 ( 8.526 0.347 4.801) 9.791 20.890 ( 0.913 0.167 0.377) 1.002 20.892 ( -2.966 -2.393 0.461) 3.839 27.588 ( -0.096 2.357 -0.858) 2.510 27.648 ( -0.040 0.837 0.938) 1.258 37.000 ( -0.657 2.513 -1.630) 3.067 37.143 ( 1.927 -0.018 1.126) 2.232 38.256 ( -21.395 1.974 -15.024) 26.218 39.244 ( 25.373 2.254 10.960) 27.731 ======================= Grid point 194 (71/189) ======================= q-point: (-0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 2.212 -11.673 -6.944) 13.762 2.611 ( -21.369 -7.866 0.133) 22.771 2.736 ( 9.734 -2.078 -5.924) 11.583 3.647 ( -9.716 14.718 -7.075) 19.002 3.861 ( 21.664 3.338 5.197) 22.527 4.514 ( -4.025 0.471 -6.055) 7.286 4.789 ( -3.285 -0.344 12.897) 13.313 4.989 ( -1.582 -5.174 7.658) 9.377 6.840 ( -8.622 -1.518 -4.442) 9.817 7.116 ( -3.724 -3.569 -1.617) 5.406 7.786 ( -1.959 3.076 1.069) 3.801 8.029 ( -2.261 2.732 2.918) 4.593 10.205 ( -11.853 1.712 -5.329) 13.108 10.471 ( -2.158 2.190 -5.133) 5.983 10.612 ( 8.099 4.004 -2.820) 9.465 11.060 ( 5.370 4.355 2.527) 7.362 11.641 ( 1.026 -13.898 6.030) 15.184 11.774 ( 12.000 -4.118 1.308) 12.754 17.497 ( 5.563 2.178 -3.844) 7.104 17.656 ( 4.169 -3.516 5.242) 7.564 18.486 ( -3.632 3.759 -4.887) 7.155 19.023 ( 0.990 -1.224 3.220) 3.584 20.827 ( -3.018 -1.311 0.721) 3.369 20.945 ( 4.743 1.120 0.034) 4.873 27.567 ( -2.382 -0.465 0.032) 2.427 27.675 ( 0.338 1.990 0.207) 2.030 36.983 ( -2.704 1.139 -0.766) 3.032 37.166 ( 0.371 -0.022 0.397) 0.544 37.843 ( -21.121 1.822 -8.920) 23.000 39.705 ( 21.960 -0.203 5.249) 22.579 ======================= Grid point 195 (72/189) ======================= q-point: (-0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 1.321 -3.965 1.156) 4.337 2.177 ( -21.648 -5.223 3.732) 22.580 2.864 ( 8.524 -0.909 -3.796) 9.375 3.563 ( -9.207 7.707 -4.335) 12.766 4.258 ( 9.072 0.664 -5.816) 10.796 4.404 ( 2.208 1.783 -4.870) 5.636 4.709 ( -8.798 -3.397 15.270) 17.947 4.979 ( 1.040 -3.342 6.229) 7.145 6.666 ( -10.726 2.744 0.210) 11.073 7.000 ( -5.430 -2.630 -1.046) 6.123 7.776 ( -1.309 0.782 -0.657) 1.660 7.959 ( -8.393 0.062 0.084) 8.393 9.968 ( -14.492 0.385 0.458) 14.504 10.380 ( -7.256 2.164 -5.838) 9.561 10.829 ( 13.755 3.633 -2.931) 14.526 11.250 ( 9.189 5.462 0.549) 10.704 11.542 ( 0.516 -13.380 7.537) 15.365 12.054 ( 20.897 1.352 0.179) 20.942 17.621 ( 9.330 1.273 -4.523) 10.447 17.773 ( 8.733 -2.220 6.630) 11.187 18.454 ( -2.020 3.802 -4.567) 6.277 18.961 ( -6.840 -2.168 0.436) 7.189 20.772 ( -3.087 -0.646 2.245) 3.871 21.065 ( 7.473 0.957 0.363) 7.543 27.514 ( -2.898 -0.914 0.315) 3.055 27.686 ( -0.761 0.995 -0.700) 1.435 36.921 ( -5.214 0.300 -0.259) 5.229 37.153 ( -1.178 -0.938 -2.841) 3.215 37.507 ( -18.126 4.632 -0.163) 18.709 40.026 ( 16.787 -3.047 -4.526) 17.651 ======================= Grid point 196 (73/189) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -19.584 -1.941 6.296) 20.662 1.931 ( -8.807 3.024 7.884) 12.201 2.944 ( 3.599 -1.217 -3.312) 5.040 3.422 ( -11.622 2.061 -3.619) 12.346 3.913 ( -27.212 1.068 -6.591) 28.019 4.680 ( 1.948 -2.479 12.836) 13.217 4.707 ( 17.336 -3.520 -3.268) 17.989 5.046 ( 6.302 -0.767 7.980) 10.198 6.538 ( -11.307 6.148 5.846) 14.135 6.881 ( -6.371 1.177 -0.366) 6.489 7.727 ( -11.920 0.532 -3.988) 12.580 7.781 ( -2.222 -2.517 -1.229) 3.575 9.744 ( -14.699 2.308 5.096) 15.727 10.229 ( -10.378 4.520 -5.168) 12.444 11.086 ( 15.104 0.028 -3.817) 15.579 11.418 ( 7.596 -2.801 -2.733) 8.545 11.535 ( 6.961 -6.640 9.194) 13.306 12.488 ( 26.571 2.172 0.514) 26.665 17.785 ( 11.329 0.136 -4.251) 12.101 17.958 ( 10.050 -0.819 6.370) 11.927 18.426 ( -1.688 2.067 -6.385) 6.920 18.781 ( -11.109 -1.330 -0.970) 11.230 20.746 ( -1.623 -0.110 6.562) 6.761 21.207 ( 7.961 -0.133 0.837) 8.006 27.459 ( -2.541 -0.893 -0.027) 2.694 27.663 ( -1.843 0.212 -1.428) 2.341 36.803 ( -9.370 1.563 0.020) 9.499 37.073 ( -2.982 -1.582 -5.926) 6.820 37.340 ( -11.431 7.257 7.598) 15.527 40.146 ( 8.773 -5.685 -20.149) 22.700 ======================= Grid point 201 (74/189) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( -0.000 11.304 4.414) 12.135 2.201 ( -0.000 4.897 13.567) 14.423 2.911 ( 0.000 -12.955 -10.718) 16.814 3.090 ( 0.000 1.201 -3.311) 3.522 3.652 ( -0.000 32.482 12.436) 34.781 4.815 ( 0.000 -13.278 -4.340) 13.969 5.201 ( -0.000 -5.394 13.122) 14.188 5.480 ( -0.000 0.905 11.944) 11.978 6.482 ( -0.000 3.555 9.840) 10.462 6.745 ( -0.000 7.785 -3.479) 8.527 7.391 ( -0.000 17.891 -6.325) 18.976 7.703 ( 0.000 3.854 -4.326) 5.793 9.858 ( -0.000 6.023 12.895) 14.232 9.961 ( -0.000 6.298 2.582) 6.807 10.973 ( 0.000 -17.360 -10.637) 20.360 11.314 ( 0.000 -1.057 -7.966) 8.036 12.352 ( -0.000 -4.335 12.052) 12.808 12.604 ( 0.000 -25.128 -3.674) 25.395 17.741 ( 0.000 -12.859 -5.625) 14.035 18.097 ( 0.000 -1.108 -3.839) 3.996 18.303 ( -0.000 -6.337 4.813) 7.958 18.606 ( -0.000 15.769 -3.372) 16.125 21.121 ( -0.000 -11.753 11.357) 16.343 21.344 ( 0.000 -9.377 2.395) 9.678 27.490 ( -0.000 3.499 0.918) 3.618 27.538 ( 0.000 1.018 -3.207) 3.364 36.569 ( -0.000 10.986 -2.078) 11.181 36.974 ( -0.000 2.282 0.939) 2.467 37.182 ( -0.000 3.995 0.333) 4.009 39.355 ( 0.000 29.872 -32.112) 43.858 ======================= Grid point 202 (75/189) ======================= q-point: ( 0.42 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 5.728 8.915 2.090) 10.801 2.222 ( -1.193 -6.436 8.730) 10.912 2.709 ( -2.994 -8.221 -8.436) 12.154 3.176 ( 9.704 1.413 -3.428) 10.388 4.006 ( -1.095 24.852 9.345) 26.574 4.609 ( -5.704 -13.604 -2.922) 15.038 5.188 ( -2.016 -6.142 9.403) 11.411 5.513 ( -4.485 0.489 10.692) 11.605 6.642 ( 9.553 2.797 4.628) 10.978 6.851 ( 3.180 8.061 2.673) 9.069 7.526 ( 2.892 10.337 -7.414) 13.046 7.761 ( 0.086 11.120 -2.946) 11.504 9.993 ( 3.797 1.987 7.808) 8.907 10.070 ( 5.800 3.518 4.392) 8.082 10.731 ( -2.248 -15.111 -9.986) 18.251 11.249 ( -2.555 -0.916 -5.946) 6.537 12.228 ( -13.126 -5.245 8.827) 16.665 12.357 ( -3.317 -18.063 -0.168) 18.366 17.617 ( 2.842 -12.297 -2.823) 12.933 18.057 ( 0.208 -1.729 -6.092) 6.336 18.232 ( -3.882 -4.204 6.030) 8.312 18.758 ( 0.989 14.017 -4.021) 14.615 21.052 ( -2.071 -7.860 7.782) 11.253 21.236 ( -2.483 -9.626 1.422) 10.042 27.507 ( -1.109 2.476 -0.114) 2.715 27.563 ( 1.987 2.417 -2.165) 3.805 36.715 ( 5.756 8.793 -2.707) 10.852 36.964 ( -2.898 2.833 0.223) 4.059 37.375 ( 15.330 3.752 4.674) 16.460 39.411 ( -6.462 21.731 -25.255) 33.938 ======================= Grid point 203 (76/189) ======================= q-point: ( 0.50 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 4.784 -11.664 0.575) 12.620 2.326 ( 5.463 1.929 -1.920) 6.103 2.625 ( 3.011 0.111 3.957) 4.974 3.395 ( 14.261 4.402 -3.810) 15.404 4.167 ( -9.064 16.489 6.043) 19.762 4.347 ( -8.050 -11.019 -0.896) 13.676 5.107 ( -4.391 -7.234 5.806) 10.262 5.431 ( -7.902 -3.838 4.845) 10.032 6.880 ( 12.177 1.240 3.477) 12.724 7.001 ( 3.545 5.191 3.763) 7.326 7.637 ( 3.951 8.193 -4.367) 10.090 7.853 ( -1.545 11.943 -3.858) 12.645 10.104 ( 5.788 1.263 -0.314) 5.932 10.258 ( 10.324 -3.853 6.687) 12.890 10.537 ( -1.222 -5.408 -6.127) 8.263 11.143 ( -5.348 -1.190 -4.779) 7.270 11.981 ( -14.661 -3.803 7.110) 16.732 12.101 ( -7.428 -14.840 0.944) 16.622 17.555 ( 1.237 -7.784 1.728) 8.069 17.969 ( -3.101 -6.774 -4.631) 8.772 18.235 ( 4.337 1.713 3.673) 5.936 18.840 ( -2.852 10.202 -5.370) 11.876 20.984 ( -2.469 -4.584 4.645) 6.978 21.101 ( -3.226 -8.051 0.652) 8.698 27.522 ( 0.254 2.306 0.123) 2.324 27.608 ( 1.425 2.677 -1.954) 3.608 36.879 ( 6.497 4.975 -2.106) 8.449 36.962 ( -0.664 3.404 -0.903) 3.584 37.785 ( 23.782 2.973 8.534) 25.441 39.291 ( -14.503 14.447 -19.597) 28.339 ======================= Grid point 204 (77/189) ======================= q-point: ( 0.58 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 9.724 -17.954 -3.666) 20.745 2.297 ( -4.872 4.880 -6.786) 9.675 2.859 ( 13.834 1.280 12.006) 18.362 3.629 ( 2.470 6.066 -6.509) 9.234 4.088 ( -0.836 -2.670 4.861) 5.608 4.217 ( -9.425 10.436 1.530) 14.145 4.964 ( -6.514 -7.366 4.372) 10.761 5.241 ( -7.510 -8.955 0.358) 11.693 7.063 ( 4.489 0.938 0.971) 4.688 7.093 ( 4.026 -1.044 1.799) 4.531 7.792 ( 5.573 8.487 -0.087) 10.154 7.894 ( -3.478 9.164 -3.005) 10.252 10.220 ( 5.593 3.594 -3.194) 7.376 10.315 ( 5.387 -7.003 -3.615) 9.547 10.620 ( 8.924 3.017 5.490) 10.903 10.993 ( -8.486 -0.519 -4.297) 9.527 11.736 ( -12.655 -4.030 5.091) 14.224 11.848 ( -4.938 -15.208 1.402) 16.051 17.514 ( -2.025 -1.790 3.120) 4.127 17.799 ( -5.450 -7.593 -1.967) 9.552 18.430 ( 12.556 2.656 2.518) 13.079 18.810 ( -5.967 5.864 -5.905) 10.240 20.928 ( -2.171 -2.339 2.266) 3.914 20.987 ( -2.582 -5.222 0.343) 5.836 27.563 ( 1.297 2.631 0.499) 2.975 27.639 ( 0.557 1.768 -1.514) 2.393 36.989 ( 1.069 3.537 -1.568) 4.014 37.011 ( 4.941 2.035 -0.599) 5.377 38.300 ( 27.620 1.303 9.210) 29.144 39.012 ( -20.666 9.111 -14.489) 26.834 ======================= Grid point 205 (78/189) ======================= q-point: ( 0.67 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -3.934 -9.135 -4.473) 10.906 2.319 ( 9.131 -2.117 -6.080) 11.173 3.182 ( 16.181 0.529 9.497) 18.769 3.407 ( -20.031 -2.119 -4.078) 20.551 4.102 ( -14.216 15.615 -2.996) 21.328 4.371 ( 17.518 2.358 3.562) 18.032 4.808 ( -5.842 -6.018 4.979) 9.754 5.046 ( -3.250 -10.196 0.346) 10.707 7.054 ( -4.065 0.650 -1.374) 4.340 7.147 ( 2.966 -3.582 0.083) 4.651 7.890 ( -3.752 5.701 -0.538) 6.846 7.967 ( 4.776 5.668 1.641) 7.591 10.307 ( 2.772 5.088 -4.325) 7.230 10.384 ( 6.808 1.731 -3.991) 8.079 10.786 ( -10.761 6.160 -2.887) 12.731 10.844 ( 8.095 -4.211 4.489) 10.169 11.550 ( -4.542 -6.226 2.511) 8.106 11.659 ( -1.096 -14.463 2.630) 14.741 17.483 ( -2.995 1.753 1.354) 3.725 17.645 ( -3.058 -6.474 0.264) 7.165 18.648 ( -0.094 5.724 -1.973) 6.055 18.761 ( 6.717 -0.761 -0.260) 6.765 20.892 ( -0.958 -0.807 0.761) 1.466 20.912 ( -2.008 -2.634 0.261) 3.322 27.613 ( 0.585 2.770 0.002) 2.831 27.648 ( 0.348 0.266 -0.306) 0.534 37.025 ( 0.121 2.802 -0.854) 2.931 37.097 ( 3.688 0.570 -0.455) 3.759 38.626 ( -22.550 6.725 -8.595) 25.053 38.837 ( 26.663 -1.500 6.236) 27.423 ======================= Grid point 206 (79/189) ======================= q-point: (-0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -3.269 -1.853 -0.268) 3.767 2.461 ( 12.429 -1.654 -5.318) 13.620 2.985 ( -23.631 -1.310 -1.169) 23.696 3.534 ( 20.091 -0.913 5.331) 20.806 3.965 ( -14.576 10.867 -3.138) 18.450 4.546 ( -1.254 0.662 -5.545) 5.724 4.799 ( 5.941 -2.931 9.316) 11.431 4.947 ( 1.076 -7.466 1.355) 7.664 6.959 ( -6.747 1.285 -0.376) 6.878 7.131 ( -1.135 -1.863 -0.444) 2.226 7.867 ( -3.730 2.198 0.755) 4.395 8.063 ( 1.454 1.045 0.514) 1.863 10.364 ( -2.416 6.682 -4.292) 8.301 10.493 ( 3.905 3.843 -3.040) 6.266 10.595 ( -9.048 0.865 -0.629) 9.111 10.998 ( 7.251 1.117 1.068) 7.414 11.503 ( 3.048 -7.538 2.383) 8.473 11.570 ( 5.148 -8.637 2.543) 10.371 17.468 ( -0.724 2.378 -1.247) 2.781 17.588 ( 1.797 -4.578 3.049) 5.787 18.584 ( -6.060 4.426 -3.301) 8.198 18.935 ( 8.741 -1.910 1.251) 9.034 20.862 ( -2.088 -1.061 0.441) 2.383 20.896 ( 1.794 0.103 0.220) 1.810 27.608 ( -2.309 0.684 -0.405) 2.442 27.675 ( 1.434 0.573 0.269) 1.568 37.032 ( -1.594 1.591 -0.181) 2.259 37.143 ( 1.851 -0.039 -1.047) 2.127 38.244 ( -24.069 6.213 -2.848) 25.020 39.292 ( 25.620 -3.872 1.296) 25.944 ======================= Grid point 207 (80/189) ======================= q-point: (-0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 1.569 7.214 7.152) 10.279 2.526 ( -15.055 -0.580 0.648) 15.081 2.704 ( 3.580 3.499 -2.840) 5.755 3.777 ( -7.847 0.884 -2.878) 8.405 3.918 ( 17.381 1.111 1.899) 17.520 4.440 ( -5.189 -0.908 -8.762) 10.224 4.844 ( -2.093 -3.294 5.499) 6.743 4.935 ( 2.395 -6.660 5.268) 8.823 6.871 ( -7.667 4.610 3.805) 9.722 7.078 ( -4.078 0.887 -0.174) 4.177 7.813 ( -3.357 -0.845 -0.314) 3.476 8.038 ( -3.020 -2.677 -1.866) 4.446 10.254 ( -14.259 4.928 2.252) 15.254 10.469 ( -3.970 2.739 -4.554) 6.633 10.644 ( 8.635 1.408 -1.972) 8.969 11.137 ( 8.195 -0.019 -1.709) 8.371 11.460 ( 0.156 -6.477 4.407) 7.836 11.745 ( 16.223 0.115 1.642) 16.306 17.505 ( 3.820 1.960 -2.733) 5.090 17.647 ( 6.751 -2.839 5.400) 9.100 18.522 ( -4.363 3.587 -2.556) 6.199 18.990 ( 0.558 -2.975 -1.531) 3.392 20.823 ( -2.289 -0.279 1.345) 2.669 20.960 ( 5.276 0.084 0.391) 5.291 27.561 ( -3.134 -0.132 -0.138) 3.140 27.691 ( 0.307 -0.216 -0.528) 0.648 37.001 ( -3.441 0.854 0.387) 3.566 37.142 ( -0.457 -0.853 -2.998) 3.151 37.927 ( -21.444 8.366 4.882) 23.531 39.626 ( 20.755 -6.494 -7.362) 22.960 ======================= Grid point 208 (81/189) ======================= q-point: (-0.08 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -4.472 12.982 8.817) 16.318 2.233 ( -17.952 5.267 8.017) 20.354 2.851 ( 6.609 3.951 -4.446) 8.891 3.591 ( -10.677 -1.545 -2.346) 11.040 4.138 ( -1.523 -2.292 -11.164) 11.499 4.326 ( 10.525 -5.376 -5.651) 13.100 4.794 ( -4.055 -3.071 13.923) 14.824 4.956 ( 4.848 -4.981 6.136) 9.271 6.817 ( -9.632 6.473 8.427) 14.342 7.026 ( -5.160 5.991 0.599) 7.930 7.744 ( -1.433 -2.322 -2.586) 3.759 7.888 ( -8.213 -4.911 -4.284) 10.485 10.075 ( -15.061 5.931 6.819) 17.564 10.393 ( -6.236 4.617 -4.835) 9.142 10.813 ( 12.336 -1.214 -4.600) 13.222 11.211 ( 6.971 -10.178 -1.824) 12.471 11.481 ( 2.071 2.894 4.404) 5.662 12.097 ( 21.744 1.443 2.719) 21.961 17.600 ( 7.566 0.242 -3.833) 8.485 17.810 ( 10.412 -0.996 6.743) 12.445 18.466 ( -4.054 2.347 -3.483) 5.837 18.898 ( -5.712 -2.620 -3.351) 7.122 20.799 ( -1.549 0.058 3.708) 4.019 21.071 ( 7.430 -0.935 0.698) 7.521 27.500 ( -3.327 -0.449 -0.499) 3.394 27.677 ( -0.781 -0.650 -1.145) 1.531 36.941 ( -5.108 1.449 1.016) 5.406 37.080 ( -2.730 -1.274 -4.844) 5.704 37.735 ( -17.537 10.881 11.422) 23.588 39.781 ( 13.741 -8.440 -19.082) 24.984 ======================= Grid point 214 (82/189) ======================= q-point: ( 0.42 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 0.000 -23.041 -4.272) 23.434 2.116 ( -0.000 4.292 -0.948) 4.396 2.672 ( 0.000 -0.598 0.254) 0.650 3.084 ( 0.000 0.788 -0.930) 1.219 4.327 ( -0.000 24.037 9.682) 25.913 4.497 ( 0.000 -14.646 -3.030) 14.956 5.185 ( -0.000 -6.649 5.604) 8.696 5.624 ( -0.000 1.059 9.356) 9.416 6.597 ( -0.000 2.499 1.715) 3.030 6.932 ( -0.000 8.655 5.242) 10.119 7.556 ( 0.000 8.446 -6.808) 10.848 7.872 ( -0.000 13.232 -1.869) 13.363 10.002 ( -0.000 -3.950 8.615) 9.477 10.046 ( -0.000 1.522 -0.281) 1.547 10.549 ( 0.000 -13.766 -7.652) 15.750 11.253 ( 0.000 0.639 -3.177) 3.240 12.170 ( 0.000 -15.186 -1.531) 15.263 12.401 ( -0.000 -1.864 8.329) 8.535 17.438 ( 0.000 -11.421 -4.624) 12.321 18.011 ( 0.000 -3.195 -3.612) 4.823 18.247 ( -0.000 -4.915 5.469) 7.353 18.889 ( -0.000 15.940 -3.536) 16.327 21.032 ( -0.000 -6.568 5.735) 8.720 21.163 ( 0.000 -10.121 0.804) 10.153 27.521 ( 0.000 0.661 -2.921) 2.994 27.577 ( -0.000 4.016 0.830) 4.101 36.746 ( -0.000 9.776 -3.744) 10.469 37.052 ( -0.000 1.314 6.270) 6.407 37.260 ( -0.000 3.289 0.440) 3.319 39.558 ( 0.000 18.847 -19.594) 27.187 ======================= Grid point 215 (83/189) ======================= q-point: ( 0.50 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 4.960 -24.530 -4.655) 25.455 2.242 ( 9.899 4.007 -1.152) 10.741 2.653 ( -3.021 0.124 4.233) 5.202 3.181 ( 10.295 0.846 -0.812) 10.361 4.306 ( -4.263 -13.073 -2.440) 13.965 4.537 ( -5.940 19.291 7.480) 21.526 5.115 ( -2.150 -7.490 1.753) 7.987 5.580 ( -9.364 -1.739 4.139) 10.385 6.716 ( 9.381 1.263 2.490) 9.787 7.049 ( 1.117 6.472 4.725) 8.091 7.631 ( 3.005 7.960 -4.674) 9.707 7.976 ( -1.203 11.176 -2.472) 11.509 10.010 ( 4.095 -5.412 2.737) 7.318 10.098 ( 5.195 -2.722 0.958) 5.943 10.426 ( 2.463 -7.417 -3.373) 8.512 11.213 ( -3.988 0.918 -1.622) 4.402 12.007 ( -4.010 -10.348 -0.456) 11.107 12.309 ( -12.628 -1.292 5.401) 13.796 17.381 ( 6.786 -8.584 -1.824) 11.094 17.941 ( -2.334 -3.672 -3.583) 5.636 18.226 ( 0.111 -2.871 4.939) 5.714 18.992 ( -3.302 13.210 -3.886) 14.160 20.991 ( -1.120 -4.516 3.599) 5.882 21.059 ( -1.297 -8.607 0.262) 8.708 27.520 ( 0.791 0.752 -1.683) 2.006 27.622 ( 0.361 3.522 0.012) 3.540 36.843 ( 3.062 7.230 -3.341) 8.533 37.031 ( -3.975 1.558 3.423) 5.472 37.479 ( 17.904 1.475 4.667) 18.560 39.556 ( -9.155 14.482 -14.653) 22.545 ======================= Grid point 216 (84/189) ======================= q-point: ( 0.58 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 11.422 -17.060 -1.111) 20.560 2.398 ( -0.723 5.647 -5.683) 8.044 2.701 ( 8.959 -3.076 11.993) 15.283 3.438 ( 18.177 3.578 -3.018) 18.770 4.079 ( -6.996 -10.711 -0.690) 12.812 4.591 ( -11.421 16.240 3.694) 20.194 4.992 ( -3.451 -8.177 0.722) 8.905 5.343 ( -13.726 -5.261 -0.770) 14.720 6.907 ( 10.038 -1.211 2.085) 10.323 7.126 ( -0.275 3.256 2.345) 4.022 7.764 ( 5.655 6.953 -1.878) 9.157 8.019 ( -3.009 7.684 -2.466) 8.613 10.079 ( 8.978 -4.563 -0.373) 10.078 10.164 ( 5.217 -0.957 0.106) 5.305 10.470 ( 8.745 -3.493 1.534) 9.541 11.125 ( -6.825 1.874 -1.364) 7.207 11.817 ( -7.167 -8.600 0.028) 11.195 12.038 ( -18.569 -1.644 2.501) 18.809 17.449 ( 7.387 -4.694 1.357) 8.857 17.818 ( -5.488 -3.893 -2.854) 7.309 18.284 ( 6.782 -0.628 3.592) 7.700 18.984 ( -7.823 8.869 -4.153) 12.534 20.946 ( -1.535 -2.784 1.737) 3.623 20.967 ( -1.204 -5.274 0.096) 5.410 27.547 ( 2.014 0.767 -0.319) 2.179 27.654 ( -0.022 2.683 -0.651) 2.761 36.946 ( 4.044 3.863 -1.897) 5.906 37.020 ( -0.833 1.937 1.377) 2.519 37.885 ( 25.019 -0.882 5.999) 25.743 39.383 ( -17.663 10.553 -9.933) 22.848 ======================= Grid point 217 (85/189) ======================= q-point: ( 0.67 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 11.467 -7.032 1.740) 13.563 2.307 ( -7.860 3.633 -6.839) 11.034 2.948 ( 14.738 -4.835 10.921) 18.970 3.657 ( -7.886 5.173 -7.205) 11.869 4.005 ( 18.591 -6.655 3.909) 20.129 4.506 ( -14.816 10.527 -1.010) 18.203 4.867 ( -3.947 -5.432 2.448) 7.147 5.060 ( -10.734 -5.110 -2.048) 12.063 7.036 ( 6.534 -2.152 0.258) 6.884 7.126 ( -2.823 0.892 0.460) 2.996 7.917 ( 6.030 3.503 -0.520) 6.994 8.007 ( -3.961 4.134 -0.707) 5.769 10.213 ( 9.905 -1.024 -0.410) 9.967 10.283 ( 6.176 4.809 -0.664) 7.856 10.629 ( 12.085 -4.494 2.831) 13.200 11.006 ( -9.182 3.044 -1.596) 9.804 11.611 ( -6.940 -7.282 0.265) 10.063 11.714 ( -16.239 -2.780 0.505) 16.483 17.512 ( 2.585 -2.086 1.561) 3.670 17.666 ( -6.515 -2.458 -1.730) 7.175 18.479 ( 13.752 -0.470 2.613) 14.006 18.877 ( -9.909 5.436 -2.985) 11.690 20.905 ( -1.250 -1.486 0.493) 2.003 20.914 ( -1.068 -2.041 0.012) 2.303 27.595 ( 2.661 0.431 0.372) 2.721 27.665 ( -0.818 1.620 -0.655) 1.929 37.031 ( 3.234 1.534 -0.609) 3.630 37.046 ( 1.123 1.657 0.492) 2.062 38.348 ( 27.964 -3.464 3.850) 28.439 39.080 ( -23.174 8.092 -4.803) 25.012 ======================= Grid point 218 (86/189) ======================= q-point: (-0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -0.512 3.910 6.111) 7.273 2.250 ( 5.464 2.807 -7.957) 10.052 3.206 ( 17.154 -6.650 5.801) 19.291 3.370 ( -21.132 2.697 -2.669) 21.470 4.295 ( -11.853 3.565 0.467) 12.386 4.371 ( 16.302 -3.531 -3.191) 16.982 4.766 ( -4.076 -2.992 4.406) 6.707 4.903 ( -3.250 -0.623 -2.741) 4.297 7.072 ( -4.225 1.175 0.788) 4.455 7.101 ( 3.066 -0.645 -0.694) 3.209 7.960 ( -4.627 0.851 1.261) 4.870 8.011 ( 3.864 -1.498 -1.280) 4.337 10.375 ( 6.680 3.054 0.978) 7.410 10.425 ( 4.862 4.795 -1.627) 7.020 10.777 ( 2.269 -2.452 2.670) 4.276 10.869 ( -3.214 0.589 -2.055) 3.860 11.473 ( -2.903 -2.764 0.523) 4.042 11.493 ( -5.000 -1.905 -0.469) 5.371 17.521 ( 0.611 -1.568 0.683) 1.816 17.549 ( -4.518 -0.232 -0.720) 4.581 18.721 ( 13.414 -1.852 0.715) 13.560 18.749 ( -8.856 4.065 -0.681) 9.768 20.883 ( -0.369 -0.508 0.047) 0.630 20.885 ( -1.078 -0.318 -0.047) 1.125 27.641 ( 2.070 -0.341 0.274) 2.116 27.652 ( -1.554 0.630 -0.272) 1.699 37.063 ( -0.249 0.966 0.845) 1.307 37.098 ( 2.796 0.175 -0.893) 2.941 38.733 ( -24.703 7.801 1.349) 25.941 38.786 ( 27.285 -6.092 -1.303) 27.988 ======================= Grid point 219 (87/189) ======================= q-point: (-0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( -1.141 13.521 10.353) 17.068 2.432 ( 12.719 5.457 -7.145) 15.576 3.025 ( -22.169 5.131 1.430) 22.800 3.462 ( 19.295 -9.020 -0.274) 21.301 4.089 ( -13.142 0.748 5.682) 14.337 4.438 ( -0.757 -3.692 -11.294) 11.906 4.794 ( 6.383 -6.127 8.581) 12.325 4.847 ( -1.233 -0.711 -4.691) 4.902 7.040 ( -3.704 4.482 3.941) 7.024 7.130 ( -0.001 2.268 -0.791) 2.402 7.873 ( -5.385 -2.475 1.265) 6.060 8.002 ( 0.521 -5.554 -3.062) 6.363 10.468 ( -0.987 4.782 0.270) 4.891 10.533 ( 5.260 1.202 -0.618) 5.431 10.620 ( -13.892 2.173 2.378) 14.261 10.942 ( 9.102 -6.751 -2.712) 11.653 11.463 ( -0.091 4.418 0.243) 4.425 11.539 ( 9.399 2.237 0.907) 9.704 17.500 ( -1.852 2.554 -1.775) 3.620 17.544 ( 4.343 -2.839 2.822) 5.906 18.654 ( -7.063 3.722 1.016) 8.048 18.872 ( 7.495 -3.602 -2.568) 8.703 20.861 ( -1.716 0.437 0.335) 1.803 20.896 ( 2.315 -0.389 0.223) 2.358 27.614 ( -2.899 0.248 0.004) 2.910 27.665 ( 1.448 -1.511 -0.317) 2.117 37.056 ( -1.823 0.322 1.252) 2.235 37.119 ( 0.729 -0.696 -2.150) 2.374 38.434 ( -22.792 9.747 8.475) 26.197 39.125 ( 23.640 -8.595 -8.957) 26.701 ======================= Grid point 220 (88/189) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 1.618 19.034 12.494) 22.825 2.608 ( -4.657 9.722 -2.692) 11.111 2.804 ( -5.378 7.162 1.219) 9.038 3.611 ( 7.544 -10.224 -6.480) 14.263 3.977 ( -1.321 -2.233 9.519) 9.866 4.247 ( -6.143 -6.224 -16.503) 18.677 4.803 ( 1.829 -2.760 -0.944) 3.443 4.871 ( 4.091 -7.347 10.655) 13.573 7.065 ( -5.170 7.640 7.686) 12.007 7.151 ( -1.525 6.480 0.318) 6.665 7.748 ( -4.653 -4.805 -0.856) 6.743 7.892 ( -2.963 -7.746 -5.250) 9.815 10.422 ( -13.985 5.146 7.410) 16.643 10.480 ( -2.441 3.200 -3.760) 5.507 10.625 ( 6.237 -0.169 -3.039) 6.940 10.979 ( 6.838 -10.259 -2.893) 12.664 11.534 ( 0.209 8.122 0.578) 8.145 11.811 ( 16.331 3.314 3.535) 17.035 17.508 ( 1.698 1.477 -3.374) 4.056 17.657 ( 9.032 -2.021 5.161) 10.597 18.581 ( -6.522 3.593 1.204) 7.543 18.882 ( 0.974 -4.068 -5.175) 6.654 20.841 ( -1.535 0.490 1.438) 2.159 20.956 ( 5.054 -1.083 0.635) 5.208 27.557 ( -3.751 0.023 -0.527) 3.788 27.662 ( 0.615 -1.827 -0.545) 2.004 37.026 ( -2.919 0.634 1.707) 3.440 37.085 ( -1.684 -1.146 -3.465) 4.020 38.242 ( -19.790 12.328 14.673) 27.548 39.317 ( 17.919 -10.322 -18.321) 27.628 ======================= Grid point 227 (89/189) ======================= q-point: ( 0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 0.000 -22.019 -1.306) 22.057 2.158 ( -0.000 1.799 -0.058) 1.800 2.706 ( -0.000 -1.006 4.078) 4.201 3.092 ( -0.000 -0.037 0.206) 0.209 4.209 ( 0.000 -9.842 -3.363) 10.401 4.800 ( -0.000 15.285 5.845) 16.365 5.052 ( 0.000 -8.232 -2.155) 8.510 5.686 ( -0.000 -1.325 2.668) 2.979 6.648 ( -0.000 0.714 2.433) 2.535 7.119 ( -0.000 4.165 3.797) 5.636 7.654 ( -0.000 6.954 -3.925) 7.985 8.074 ( -0.000 8.487 -2.196) 8.766 9.908 ( 0.000 -8.660 3.356) 9.287 10.051 ( 0.000 0.517 -0.383) 0.643 10.322 ( 0.000 -5.494 -1.022) 5.588 11.250 ( 0.000 0.273 -0.616) 0.674 11.968 ( 0.000 -5.253 -0.411) 5.269 12.433 ( -0.000 -1.363 2.799) 3.113 17.228 ( 0.000 -5.804 -1.805) 6.078 17.921 ( 0.000 -2.114 -2.476) 3.256 18.215 ( -0.000 -3.743 4.320) 5.716 19.133 ( -0.000 11.491 -3.104) 11.903 20.975 ( 0.000 -3.589 2.220) 4.220 20.989 ( 0.000 -7.153 -0.063) 7.153 27.510 ( 0.000 0.889 -1.648) 1.872 27.651 ( -0.000 2.497 0.351) 2.522 36.872 ( -0.000 6.909 -3.691) 7.833 37.134 ( -0.000 -1.896 9.490) 9.677 37.311 ( -0.000 1.683 -0.321) 1.714 39.706 ( 0.000 12.325 -10.341) 16.089 ======================= Grid point 228 (90/189) ======================= q-point: ( 0.58 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 7.992 -9.794 6.500) 14.214 2.299 ( 11.569 2.327 1.324) 11.875 2.683 ( -2.236 -2.483 5.016) 6.027 3.181 ( 10.874 -0.041 -0.747) 10.900 4.086 ( -3.868 -4.781 -3.418) 7.036 4.870 ( -5.063 3.763 -5.979) 8.691 4.966 ( -2.487 -1.648 4.967) 5.794 5.551 ( -12.729 -2.458 -0.711) 12.984 6.745 ( 8.194 -0.915 2.334) 8.569 7.160 ( 0.156 0.781 1.748) 1.921 7.729 ( 3.638 4.906 -2.346) 6.543 8.113 ( -1.818 4.961 -2.209) 5.727 9.904 ( 5.734 -4.716 2.768) 7.924 10.092 ( 3.553 1.149 1.451) 4.006 10.322 ( 4.747 -2.637 0.775) 5.485 11.216 ( -3.273 -0.056 -1.020) 3.429 11.879 ( -5.712 -2.866 -0.504) 6.411 12.309 ( -12.709 -1.904 -0.075) 12.851 17.261 ( 8.150 -2.316 0.102) 8.473 17.865 ( -3.569 -0.740 -1.994) 4.155 18.216 ( 2.081 -2.655 3.636) 4.960 19.165 ( -5.215 7.017 -2.818) 9.185 20.930 ( -0.271 -3.631 -0.126) 3.644 20.947 ( -0.618 -2.472 0.798) 2.670 27.524 ( 1.135 0.967 -0.537) 1.584 27.672 ( 0.175 1.307 -0.162) 1.328 36.928 ( 1.670 4.533 -2.642) 5.507 37.082 ( -4.143 -1.240 5.273) 6.819 37.519 ( 18.329 -1.698 3.170) 18.679 39.684 ( -10.086 9.665 -6.115) 15.249 ======================= Grid point 229 (91/189) ======================= q-point: (-0.33 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 11.317 1.569 6.747) 13.269 2.435 ( -2.782 4.549 -4.736) 7.131 2.719 ( 9.517 -8.138 11.124) 16.750 3.474 ( 22.412 2.422 -1.543) 22.596 3.939 ( -8.785 -0.464 -2.970) 9.285 4.696 ( -6.741 -7.050 -7.507) 12.309 4.944 ( -5.859 3.692 4.142) 8.070 5.274 ( -15.460 0.043 -1.408) 15.524 6.885 ( 8.613 -1.985 0.042) 8.839 7.156 ( -0.661 -1.718 0.257) 1.859 7.833 ( 5.430 1.207 -1.162) 5.682 8.094 ( -2.959 1.743 -0.984) 3.573 10.036 ( 10.096 0.534 2.510) 10.417 10.209 ( 6.646 1.862 3.243) 7.626 10.427 ( 8.396 -0.955 1.451) 8.574 11.133 ( -5.382 -0.119 -1.621) 5.622 11.723 ( -9.449 -0.324 -0.918) 9.499 12.001 ( -18.707 -2.450 -2.061) 18.979 17.398 ( 7.586 -0.907 -0.107) 7.640 17.771 ( -6.290 1.231 -1.401) 6.561 18.295 ( 7.958 -1.545 3.323) 8.761 19.077 ( -8.764 3.073 -1.533) 9.412 20.907 ( -0.428 -0.384 -0.191) 0.606 20.916 ( -0.839 -1.224 -0.313) 1.517 27.558 ( 1.971 0.391 0.312) 2.034 27.681 ( 0.047 0.425 -0.333) 0.542 36.985 ( 2.673 1.522 -1.052) 3.250 37.060 ( -0.422 -0.378 3.208) 3.257 37.872 ( 24.184 -4.661 2.050) 24.714 39.503 ( -18.193 7.727 -1.400) 19.816 ======================= Grid point 230 (92/189) ======================= q-point: (-0.25 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 12.076 7.608 1.818) 14.388 2.338 ( -8.804 5.723 -1.930) 10.677 2.881 ( 14.075 -10.667 5.162) 18.399 3.719 ( -16.112 6.997 -4.097) 18.037 3.914 ( 24.965 -4.024 -0.361) 25.290 4.465 ( -7.580 -8.742 -0.801) 11.599 4.870 ( -6.780 0.379 1.753) 7.014 5.057 ( -11.595 5.681 -3.111) 13.281 7.000 ( 7.204 -0.804 -1.983) 7.515 7.119 ( -1.160 -1.727 0.140) 2.085 7.905 ( 4.435 -3.250 -1.228) 5.634 8.042 ( -3.774 -1.016 1.365) 4.140 10.256 ( 10.466 3.607 2.375) 11.322 10.368 ( 7.470 0.801 4.133) 8.574 10.580 ( 9.403 -1.502 -0.205) 9.524 11.022 ( -7.154 0.785 -0.346) 7.205 11.575 ( -8.690 4.000 -1.885) 9.751 11.662 ( -14.898 -0.879 -2.674) 15.162 17.465 ( 2.327 -1.412 -0.958) 2.885 17.672 ( -6.804 3.406 -1.718) 7.801 18.479 ( 12.471 -1.819 2.495) 12.847 18.941 ( -8.952 1.699 0.946) 9.161 20.884 ( -0.739 -0.842 -0.797) 1.374 20.907 ( -0.961 1.713 -0.384) 2.001 27.594 ( 2.201 -0.962 0.311) 2.422 27.678 ( -0.646 0.082 0.123) 0.663 37.038 ( 3.148 -0.394 -0.309) 3.187 37.076 ( 0.494 -0.263 2.344) 2.410 38.248 ( 26.096 -7.237 -2.320) 27.180 39.231 ( -22.284 7.473 4.277) 23.890 ======================= Grid point 231 (93/189) ======================= q-point: (-0.17 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 13.013 10.660 -4.205) 17.339 2.314 ( -2.836 11.322 4.099) 12.371 3.043 ( 16.811 -12.097 -0.906) 20.731 3.457 ( -20.024 6.974 0.446) 21.208 4.192 ( 13.383 -7.623 -6.766) 16.822 4.281 ( -6.542 -7.283 8.108) 12.711 4.776 ( -4.070 -0.682 3.550) 5.443 4.923 ( -8.368 4.777 -7.240) 12.053 7.098 ( 5.254 1.757 -3.124) 6.360 7.110 ( 0.596 1.372 1.579) 2.175 7.900 ( 1.804 -6.881 -2.056) 7.405 7.952 ( -5.543 -3.729 3.026) 7.334 10.441 ( 6.036 1.016 3.202) 6.908 10.505 ( 3.301 2.774 2.899) 5.195 10.678 ( 9.304 -8.001 -4.707) 13.143 10.895 ( -11.705 3.205 3.185) 12.547 11.478 ( 0.026 2.524 -1.596) 2.987 11.567 ( -3.714 10.915 -2.589) 11.816 17.477 ( 1.812 -1.313 1.015) 2.457 17.591 ( -5.631 4.334 -2.894) 7.673 18.662 ( 10.389 -3.577 -0.194) 10.989 18.830 ( -7.450 2.105 2.808) 8.235 20.868 ( 0.468 -0.686 -0.631) 1.043 20.901 ( -1.807 2.118 -0.370) 2.809 27.613 ( 1.907 -2.447 0.082) 3.103 27.660 ( -1.840 0.103 0.346) 1.875 37.073 ( 1.602 -1.288 0.234) 2.069 37.087 ( 0.178 -0.639 0.903) 1.120 38.573 ( 24.446 -9.496 -8.882) 27.689 38.968 ( -22.054 9.284 10.785) 26.247 ======================= Grid point 232 (94/189) ======================= q-point: (-0.08 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( 14.112 11.914 -10.408) 21.199 2.517 ( 3.262 18.178 10.408) 21.199 3.204 ( 17.468 -12.664 -5.371) 22.234 3.204 ( -19.701 8.796 5.371) 22.234 4.146 ( -1.542 -10.225 -17.491) 20.319 4.146 ( -8.085 -6.448 17.491) 20.319 4.784 ( -5.069 0.809 -8.783) 10.173 4.784 ( 3.235 -3.985 8.783) 10.173 7.187 ( 3.467 4.948 -3.484) 6.974 7.187 ( 2.552 5.476 3.484) 6.974 7.810 ( -1.150 -9.287 -3.347) 9.938 7.810 ( -7.467 -5.640 3.347) 9.938 10.528 ( -2.396 1.728 -2.364) 3.784 10.528 ( 2.694 -1.211 2.364) 3.784 10.734 ( 6.861 -6.883 -6.211) 11.534 10.734 ( -9.392 2.500 6.211) 11.534 11.636 ( -0.039 11.451 -2.954) 11.826 11.636 ( 9.937 5.691 2.954) 11.826 17.536 ( -3.521 3.900 -3.907) 6.548 17.536 ( 5.138 -1.100 3.907) 6.548 18.749 ( 4.029 -3.604 -5.876) 7.984 18.749 ( -5.136 1.687 5.876) 7.984 20.884 ( 2.417 -0.938 0.032) 2.593 20.884 ( -2.021 1.624 -0.032) 2.593 27.617 ( -0.982 -1.258 -0.990) 1.878 27.617 ( -0.598 -1.479 0.990) 1.878 37.072 ( -0.184 -1.321 -2.746) 3.053 37.072 ( -1.052 -0.820 2.746) 3.053 38.788 ( 20.147 -11.018 -17.154) 28.663 38.788 ( -19.616 11.939 17.154) 28.663 ======================= Grid point 241 (95/189) ======================= q-point: (-0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -0.000 4.731 18.143) 18.750 2.214 ( -0.000 1.273 4.629) 4.801 2.702 ( -0.000 -2.437 2.566) 3.539 3.079 ( 0.000 -0.684 -1.047) 1.251 4.085 ( 0.000 1.778 -3.881) 4.269 4.799 ( 0.000 -7.996 -10.558) 13.244 5.076 ( -0.000 4.442 5.144) 6.796 5.628 ( 0.000 -3.374 -4.698) 5.784 6.672 ( -0.000 -1.582 3.286) 3.647 7.154 ( 0.000 -2.723 0.346) 2.745 7.724 ( -0.000 2.674 -1.651) 3.143 8.147 ( 0.000 1.246 -2.327) 2.640 9.841 ( -0.000 -1.442 4.198) 4.439 10.089 ( -0.000 1.888 3.345) 3.841 10.280 ( -0.000 1.106 1.766) 2.084 11.230 ( 0.000 -0.885 -2.008) 2.195 11.915 ( 0.000 -0.095 -0.743) 0.749 12.390 ( 0.000 -3.082 -3.098) 4.370 17.190 ( -0.000 2.071 1.962) 2.852 17.891 ( 0.000 1.677 -2.078) 2.670 18.189 ( -0.000 -2.799 3.333) 4.352 19.243 ( 0.000 2.008 -2.407) 3.135 20.912 ( 0.000 -0.012 -0.207) 0.207 20.932 ( 0.000 -1.863 -0.350) 1.896 27.525 ( -0.000 1.437 0.171) 1.447 27.672 ( 0.000 -0.427 -0.445) 0.617 36.943 ( 0.000 3.785 -2.892) 4.764 37.160 ( -0.000 -6.491 10.878) 12.667 37.316 ( 0.000 -0.228 -1.543) 1.560 39.836 ( -0.000 7.797 -2.471) 8.179 ======================= Grid point 242 (96/189) ======================= q-point: (-0.33 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 1.504 12.073 15.728) 19.884 2.363 ( 10.769 -0.040 5.372) 12.034 2.662 ( -3.021 -3.469 3.217) 5.614 3.174 ( 12.585 0.729 -0.625) 12.622 4.075 ( -4.625 7.693 -4.078) 9.860 4.635 ( -2.586 -10.026 -8.992) 13.714 5.080 ( -4.203 0.690 1.381) 4.478 5.473 ( -9.175 -2.185 -6.216) 11.295 6.726 ( 6.489 -2.937 1.098) 7.207 7.119 ( 0.666 -5.082 -0.226) 5.131 7.759 ( 2.980 -0.115 -0.479) 3.021 8.121 ( -1.003 -2.113 -1.743) 2.917 9.919 ( 6.438 1.346 3.770) 7.581 10.157 ( 3.229 0.992 5.303) 6.287 10.357 ( 3.586 5.063 2.960) 6.875 11.186 ( -2.730 -0.120 -2.740) 3.869 11.869 ( -5.902 2.948 -1.025) 6.676 12.223 ( -11.918 -3.904 -5.454) 13.676 17.297 ( 5.500 4.532 2.441) 7.533 17.874 ( -3.758 3.739 -2.440) 5.836 18.206 ( 3.077 -1.973 3.711) 5.209 19.188 ( -4.276 -2.487 -1.480) 5.163 20.908 ( -0.434 -1.213 -1.464) 1.950 20.927 ( -0.271 3.407 -0.327) 3.433 27.546 ( 0.438 0.962 0.837) 1.349 27.666 ( 0.856 -1.358 -0.567) 1.702 36.963 ( 0.746 1.267 -1.953) 2.444 37.090 ( -2.714 -4.257 6.914) 8.561 37.478 ( 16.772 -4.483 0.806) 17.380 39.815 ( -9.814 6.121 1.636) 11.682 ======================= Grid point 243 (97/189) ======================= q-point: (-0.25 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 4.435 10.790 1.960) 11.830 2.530 ( -1.996 7.337 2.916) 8.144 2.584 ( 5.891 -13.758 3.780) 15.436 3.493 ( 21.038 -0.715 2.077) 21.153 4.018 ( -10.774 11.671 -4.223) 16.435 4.444 ( -3.219 -10.748 -2.142) 11.423 4.987 ( -5.774 -0.855 -1.107) 5.941 5.265 ( -9.812 0.675 -6.963) 12.050 6.827 ( 8.961 -2.908 -2.486) 9.744 7.082 ( 1.182 -5.089 0.032) 5.224 7.801 ( 3.374 -3.085 0.255) 4.579 8.066 ( -1.142 -4.217 0.402) 4.387 10.103 ( 11.367 0.763 1.360) 11.473 10.264 ( 5.718 -1.288 6.173) 8.513 10.504 ( 3.626 6.624 3.179) 8.193 11.123 ( -3.981 2.571 -1.250) 4.901 11.781 ( -9.441 6.699 -2.280) 11.799 11.900 ( -15.987 -2.250 -5.719) 17.128 17.426 ( 2.704 3.928 0.549) 4.800 17.815 ( -6.301 5.249 -3.782) 9.031 18.309 ( 7.931 -1.186 5.036) 9.470 19.064 ( -5.455 -3.854 0.705) 6.716 20.879 ( -0.544 -0.905 -2.238) 2.474 20.956 ( -1.297 4.964 -0.506) 5.155 27.559 ( 0.733 -1.060 0.427) 1.358 27.672 ( 1.068 -0.845 0.384) 1.415 36.979 ( 2.331 -1.562 -0.309) 2.822 37.075 ( 0.298 -2.215 4.770) 5.268 37.751 ( 21.676 -7.278 -2.043) 22.956 39.662 ( -16.605 5.692 6.670) 18.778 ======================= Grid point 244 (98/189) ======================= q-point: (-0.17 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 10.028 8.966 -9.562) 16.504 2.496 ( -1.030 0.163 5.042) 5.149 2.680 ( 9.594 -4.476 -0.535) 10.601 3.729 ( 3.543 -6.498 2.713) 7.883 3.959 ( -3.052 11.371 -3.247) 12.213 4.311 ( -2.615 -8.891 7.176) 11.721 4.879 ( -5.570 0.499 -1.194) 5.718 5.073 ( -8.783 0.572 -9.475) 12.933 6.947 ( 9.694 -1.218 -5.400) 11.163 7.074 ( 2.990 -2.743 0.239) 4.064 7.806 ( 1.460 -5.196 0.528) 5.423 7.997 ( -2.611 -5.658 3.121) 6.969 10.301 ( 13.532 -4.233 -3.383) 14.577 10.382 ( 6.135 -2.494 6.098) 9.002 10.602 ( -1.077 5.060 3.062) 6.012 11.102 ( -5.587 5.712 2.705) 8.436 11.547 ( -9.705 -1.900 -6.292) 11.721 11.779 ( -7.474 14.463 -2.496) 16.470 17.476 ( -0.438 3.034 0.809) 3.171 17.732 ( -6.821 6.064 -5.105) 10.458 18.471 ( 9.000 -2.163 3.586) 9.927 18.953 ( -4.667 -2.720 3.094) 6.225 20.852 ( -0.086 -0.871 -2.247) 2.412 20.969 ( -2.574 4.805 -0.640) 5.489 27.559 ( 1.343 -2.773 0.129) 3.084 27.679 ( -0.173 -0.453 0.987) 1.100 37.008 ( 3.191 -2.252 -0.456) 3.932 37.085 ( 0.399 -2.059 3.892) 4.422 38.028 ( 22.694 -9.363 -7.652) 25.715 39.465 ( -18.860 7.296 12.635) 23.845 ======================= Grid point 254 (99/189) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( -0.000 14.779 19.059) 24.118 2.257 ( -0.000 -3.677 4.547) 5.848 2.698 ( -0.000 0.551 3.901) 3.940 3.069 ( -0.000 1.362 -0.368) 1.411 4.201 ( -0.000 13.542 -3.630) 14.020 4.502 ( 0.000 -12.163 -8.062) 14.592 5.098 ( 0.000 -3.358 -3.042) 4.531 5.462 ( 0.000 -4.675 -11.226) 12.161 6.639 ( 0.000 -4.927 1.133) 5.056 7.052 ( 0.000 -6.591 0.837) 6.644 7.729 ( 0.000 -1.098 0.697) 1.301 8.074 ( 0.000 -6.239 -2.234) 6.627 9.889 ( -0.000 0.249 2.602) 2.614 10.165 ( -0.000 -0.918 6.563) 6.626 10.429 ( -0.000 10.830 5.355) 12.082 11.205 ( 0.000 2.584 -3.210) 4.121 11.961 ( -0.000 6.625 -0.645) 6.656 12.246 ( 0.000 -4.919 -8.876) 10.148 17.342 ( -0.000 9.002 5.263) 10.428 17.939 ( -0.000 5.811 -3.609) 6.840 18.181 ( -0.000 -1.709 4.082) 4.426 19.161 ( 0.000 -7.685 -1.463) 7.823 20.889 ( 0.000 -0.935 -2.900) 3.047 20.980 ( -0.000 6.620 -0.444) 6.634 27.566 ( -0.000 1.465 1.741) 2.275 27.627 ( 0.000 -3.040 -1.190) 3.265 36.954 ( 0.000 -0.129 -2.666) 2.669 37.114 ( -0.000 -9.608 11.991) 15.366 37.274 ( 0.000 -1.696 -2.525) 3.042 39.968 ( -0.000 4.370 5.047) 6.676 ======================= Grid point 255 (100/189) ======================= q-point: (-0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( -6.410 6.652 3.852) 10.009 2.317 ( 7.311 -11.303 1.463) 13.540 2.724 ( -4.179 7.018 7.983) 11.422 3.218 ( 13.431 2.219 3.137) 13.970 4.260 ( -6.063 5.509 -3.468) 8.896 4.358 ( 0.279 -3.587 -2.018) 4.125 5.009 ( -1.858 -4.191 -6.761) 8.168 5.312 ( -4.417 -3.984 -12.414) 13.766 6.633 ( 6.373 -6.648 -1.899) 9.403 7.007 ( 0.900 -6.008 2.253) 6.479 7.736 ( 1.734 -2.283 1.706) 3.336 7.998 ( 1.317 -8.500 -1.105) 8.672 9.937 ( 6.018 -3.405 -0.100) 6.915 10.201 ( 3.188 -3.911 6.589) 8.299 10.600 ( 0.800 14.159 6.333) 15.531 11.211 ( -2.393 6.122 -1.628) 6.772 11.986 ( -8.080 6.643 -3.391) 10.996 12.066 ( -7.837 0.893 -7.630) 10.974 17.478 ( 0.418 9.633 4.439) 10.615 17.943 ( -4.247 6.918 -5.467) 9.787 18.229 ( 4.172 -0.696 6.215) 7.518 19.052 ( -1.213 -9.621 -0.284) 9.701 20.860 ( -0.203 -0.728 -4.105) 4.174 21.040 ( -1.271 7.738 -0.684) 7.871 27.554 ( -1.332 -1.767 0.089) 2.215 27.633 ( 2.538 -0.960 0.830) 2.838 36.925 ( 0.706 -4.030 -0.540) 4.127 37.074 ( -0.399 -4.728 7.810) 9.138 37.370 ( 13.393 -5.539 -1.750) 14.599 39.966 ( -8.560 3.503 9.327) 13.135 ======================= Grid point 256 (101/189) ======================= q-point: (-0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 1.029 3.037 -6.727) 7.452 2.255 ( 6.481 -17.434 -5.279) 19.334 2.776 ( -3.885 9.001 7.042) 12.071 3.490 ( 13.313 -3.337 4.264) 14.372 4.154 ( -1.256 -7.614 5.456) 9.451 4.369 ( -6.990 11.214 1.056) 13.257 4.905 ( -1.144 -3.135 -9.163) 9.752 5.122 ( -6.080 -2.600 -11.715) 13.452 6.709 ( 10.907 -5.023 -4.864) 12.956 6.983 ( 2.266 -5.545 1.071) 6.085 7.752 ( 1.437 -2.623 2.372) 3.817 7.945 ( 1.984 -8.903 1.755) 9.288 10.005 ( 9.907 -8.528 -4.087) 13.695 10.277 ( 6.615 -4.470 6.456) 10.267 10.759 ( -2.902 13.345 5.923) 14.886 11.243 ( -2.322 8.438 1.473) 8.875 11.686 ( -14.703 -4.661 -10.205) 18.495 12.065 ( -7.896 18.292 -1.141) 19.956 17.565 ( -2.457 8.242 2.531) 8.966 17.881 ( -6.627 7.031 -6.857) 11.848 18.358 ( 6.222 -0.445 7.187) 9.517 18.953 ( -0.205 -8.296 1.576) 8.447 20.827 ( -0.047 -0.891 -4.524) 4.611 21.074 ( -3.002 7.221 -0.786) 7.859 27.518 ( 0.107 -2.942 -0.176) 2.949 27.668 ( 1.459 -0.779 1.533) 2.255 36.918 ( 3.447 -4.511 0.220) 5.682 37.076 ( 0.452 -3.200 5.828) 6.665 37.556 ( 17.716 -8.055 -5.523) 20.230 39.872 ( -13.341 4.567 14.419) 20.168 ======================= Grid point 267 (102/189) ======================= q-point: (-0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 0.000 -12.108 -2.413) 12.347 2.130 ( 0.000 -4.506 0.897) 4.594 2.901 ( -0.000 9.850 10.465) 14.371 3.135 ( -0.000 2.619 3.662) 4.502 4.117 ( 0.000 -23.397 -1.419) 23.440 4.515 ( -0.000 20.080 -1.031) 20.106 4.922 ( 0.000 -4.333 -12.208) 12.954 5.241 ( 0.000 -3.140 -13.774) 14.127 6.477 ( 0.000 -10.344 -2.060) 10.547 6.969 ( -0.000 -4.836 5.084) 7.017 7.706 ( 0.000 -3.967 2.375) 4.624 7.874 ( 0.000 -10.134 -1.763) 10.286 9.834 ( 0.000 -7.024 -1.202) 7.126 10.145 ( -0.000 -7.776 6.011) 9.829 10.792 ( -0.000 17.838 6.667) 19.043 11.305 ( -0.000 8.997 -0.043) 8.997 12.031 ( 0.000 -3.670 -14.489) 14.946 12.208 ( -0.000 18.647 1.283) 18.691 17.626 ( -0.000 12.383 6.951) 14.201 18.025 ( 0.000 7.958 -6.735) 10.425 18.218 ( -0.000 -0.106 6.766) 6.767 18.940 ( 0.000 -12.966 -0.480) 12.975 20.829 ( 0.000 -0.514 -6.043) 6.065 21.131 ( -0.000 8.666 -0.997) 8.723 27.541 ( 0.000 -3.893 -1.482) 4.166 27.609 ( -0.000 0.469 2.385) 2.430 36.855 ( 0.000 -8.733 0.567) 8.751 37.072 ( -0.000 -5.746 9.453) 11.063 37.204 ( 0.000 -2.284 -2.878) 3.674 40.121 ( -0.000 1.888 12.850) 12.988 ======================= Grid point 268 (103/189) ======================= q-point: (-0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( -3.613 -16.736 -5.970) 18.132 1.978 ( 0.719 -8.836 -5.246) 10.302 2.969 ( -5.684 6.155 5.326) 9.927 3.286 ( 10.685 -1.725 5.119) 11.973 3.926 ( 7.874 -26.224 3.802) 27.643 4.670 ( -5.839 19.712 1.716) 20.630 4.812 ( -0.952 -2.397 -14.837) 15.060 5.127 ( -2.881 -0.027 -11.540) 11.894 6.442 ( 8.959 -8.954 -2.714) 12.954 6.930 ( -1.635 -5.957 3.673) 7.187 7.689 ( 4.765 -8.331 2.644) 9.955 7.812 ( 1.657 -5.681 0.212) 5.922 9.770 ( 4.076 -10.925 -3.281) 12.114 10.139 ( 5.542 -8.345 6.174) 11.767 10.989 ( -2.046 17.348 5.399) 18.284 11.380 ( -2.307 9.267 2.013) 9.760 11.819 ( -11.311 -1.889 -14.990) 18.873 12.386 ( -5.143 23.677 1.321) 24.265 17.743 ( -4.132 11.383 5.242) 13.195 18.019 ( -5.107 7.583 -7.112) 11.583 18.309 ( 4.803 0.960 7.995) 9.376 18.829 ( 2.432 -12.542 0.273) 12.779 20.788 ( 0.026 -0.696 -7.241) 7.275 21.191 ( -2.039 8.083 -1.105) 8.409 27.490 ( -0.473 -3.227 -0.910) 3.386 27.640 ( 1.676 -0.717 1.997) 2.705 36.795 ( 3.595 -9.445 1.507) 10.218 37.070 ( 0.185 -3.772 7.195) 8.126 37.241 ( 8.512 -4.287 -3.672) 10.213 40.156 ( -6.516 2.007 17.043) 18.356 ======================= Grid point 280 (104/189) ======================= q-point: (-0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 0.000 -19.266 -7.848) 20.803 1.872 ( 0.000 -17.156 -6.139) 18.222 3.103 ( -0.000 2.977 0.759) 3.073 3.142 ( 0.000 -13.415 3.212) 13.795 3.554 ( 0.000 -28.100 3.399) 28.305 4.748 ( 0.000 1.493 -13.986) 14.065 4.934 ( -0.000 18.752 4.377) 19.256 5.104 ( 0.000 3.929 -11.184) 11.855 6.251 ( 0.000 -9.964 -0.143) 9.965 6.932 ( -0.000 -5.481 5.461) 7.737 7.482 ( 0.000 -17.671 -0.110) 17.671 7.802 ( -0.000 1.371 1.394) 1.955 9.606 ( 0.000 -12.993 -2.706) 13.271 10.021 ( 0.000 -10.447 6.450) 12.278 11.208 ( -0.000 17.806 3.615) 18.169 11.501 ( -0.000 6.999 3.799) 7.964 11.841 ( 0.000 3.709 -19.222) 19.577 12.704 ( -0.000 27.889 2.966) 28.046 17.940 ( -0.000 11.343 6.712) 13.180 18.109 ( 0.000 7.957 -6.698) 10.401 18.310 ( -0.000 1.601 6.990) 7.171 18.665 ( 0.000 -14.162 0.233) 14.164 20.737 ( 0.000 -0.612 -9.624) 9.643 21.281 ( -0.000 7.552 -1.289) 7.662 27.457 ( 0.000 -2.919 -1.198) 3.156 27.627 ( -0.000 -1.092 1.939) 2.226 36.653 ( 0.000 -12.795 2.817) 13.101 37.071 ( -0.000 -3.329 6.860) 7.625 37.131 ( 0.000 -2.014 -2.744) 3.404 40.320 ( -0.000 0.832 20.450) 20.467 ======================= Grid point 321 (105/189) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -0.000 -0.000 30.362) 30.362 0.987 ( -0.000 -0.000 30.362) 30.362 1.577 ( -0.000 -0.000 48.715) 48.715 3.092 ( 0.000 0.000 0.518) 0.518 3.092 ( 0.000 -0.000 0.518) 0.518 5.252 ( -0.000 -0.000 6.224) 6.224 5.252 ( -0.000 -0.000 6.224) 6.224 5.550 ( 0.000 0.000 -10.510) 10.510 6.286 ( -0.000 -0.000 10.930) 10.930 6.591 ( 0.000 0.000 -5.572) 5.572 6.591 ( 0.000 0.000 -5.572) 5.572 7.899 ( 0.000 0.000 -6.044) 6.044 9.208 ( -0.000 -0.000 13.398) 13.398 9.208 ( -0.000 -0.000 13.398) 13.398 11.677 ( 0.000 0.000 -10.238) 10.238 11.677 ( 0.000 0.000 -10.238) 10.238 12.494 ( -0.000 -0.000 4.504) 4.504 13.811 ( 0.000 0.000 -7.643) 7.643 18.024 ( -0.000 -0.000 2.140) 2.140 18.024 ( -0.000 -0.000 2.140) 2.140 18.434 ( 0.000 0.000 -1.854) 1.854 18.434 ( 0.000 0.000 -1.854) 1.854 21.581 ( -0.000 -0.000 5.008) 5.008 22.570 ( 0.000 0.000 -4.499) 4.499 27.399 ( -0.000 -0.000 0.854) 0.854 27.545 ( 0.000 0.000 -0.603) 0.603 36.230 ( -0.000 -0.000 3.444) 3.444 36.230 ( -0.000 -0.000 3.444) 3.444 36.982 ( 0.000 0.000 -3.726) 3.726 36.982 ( 0.000 0.000 -3.726) 3.726 ======================= Grid point 322 (106/189) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 8.198 4.733 23.396) 25.239 1.280 ( 3.915 2.261 27.647) 28.014 2.230 ( 29.810 17.211 36.409) 50.105 2.971 ( -4.951 -2.858 -2.527) 6.250 3.253 ( 7.506 4.334 -0.906) 8.715 5.192 ( -7.926 -4.576 1.137) 9.223 5.236 ( -4.482 -2.588 13.894) 14.827 5.489 ( -0.459 -0.265 -5.179) 5.206 6.365 ( 2.207 1.274 7.238) 7.673 6.660 ( 9.096 5.252 -1.739) 10.646 6.674 ( 9.794 5.655 -6.658) 13.124 7.828 ( -2.962 -1.710 -6.727) 7.547 9.351 ( 6.412 3.702 14.110) 15.935 9.498 ( 14.890 8.597 7.311) 18.684 11.504 ( -7.746 -4.472 -12.288) 15.198 11.623 ( -1.718 -0.992 -10.309) 10.498 12.361 ( -13.553 -7.825 11.762) 19.577 13.623 ( -12.015 -6.937 -7.312) 15.683 17.987 ( -1.980 -1.143 -2.325) 3.261 18.158 ( 7.496 4.328 2.849) 9.112 18.334 ( -4.279 -2.470 -3.384) 5.989 18.451 ( -0.532 -0.307 -0.775) 0.989 21.571 ( -3.335 -1.926 5.101) 6.392 21.932 ( -37.213 -21.485 18.213) 46.670 27.401 ( -0.259 -0.150 0.746) 0.804 27.533 ( 0.152 0.088 -1.120) 1.134 36.389 ( 8.639 4.988 5.220) 11.259 36.913 ( -1.492 -0.862 -5.421) 5.689 37.064 ( 6.529 3.770 -1.284) 7.648 37.400 ( 73.515 42.444 -46.993) 97.027 ======================= Grid point 323 (107/189) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 16.557 9.559 13.513) 23.412 1.538 ( 8.878 5.126 16.547) 19.466 2.877 ( -0.886 -0.512 -4.169) 4.293 3.012 ( 20.504 11.838 21.930) 32.272 3.417 ( 9.339 5.392 -1.152) 10.845 4.923 ( -13.780 -7.956 -4.802) 16.621 5.224 ( -4.221 -2.437 20.225) 20.804 5.461 ( -2.547 -1.470 3.110) 4.280 6.490 ( 7.344 4.240 2.776) 8.923 6.919 ( 13.872 8.009 -8.222) 18.005 6.934 ( 12.479 7.205 3.976) 14.948 7.713 ( -3.578 -2.066 -7.035) 8.158 9.630 ( 11.260 6.501 13.750) 18.923 9.850 ( 13.061 7.541 2.573) 15.300 11.226 ( -10.280 -5.935 -12.208) 17.028 11.485 ( -6.258 -3.613 -9.788) 12.167 12.079 ( -15.992 -9.233 15.561) 24.148 13.245 ( -17.254 -9.961 -4.378) 20.398 17.876 ( -6.446 -3.721 -4.625) 8.763 18.258 ( 0.387 0.223 -3.808) 3.834 18.336 ( 3.417 1.973 2.678) 4.768 18.415 ( 0.470 0.271 -1.658) 1.745 21.380 ( -20.501 -11.836 18.016) 29.748 21.482 ( -6.478 -3.740 3.921) 8.445 27.395 ( -0.404 -0.233 0.199) 0.507 27.549 ( 1.779 1.027 -1.909) 2.805 36.642 ( 10.154 5.862 5.274) 12.856 36.865 ( 0.088 0.051 -5.988) 5.989 37.291 ( 13.144 7.589 4.441) 15.814 38.415 ( 39.245 22.658 -53.234) 69.910 ======================= Grid point 324 (108/189) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 14.056 8.115 3.845) 16.680 1.979 ( 17.543 10.128 5.880) 21.093 2.914 ( 6.033 3.483 -3.447) 7.773 3.276 ( 1.115 0.644 5.479) 5.628 3.702 ( 9.712 5.607 3.327) 11.698 4.557 ( -15.542 -8.973 -3.480) 18.281 5.262 ( -2.305 -1.331 21.653) 21.816 5.378 ( -7.150 -4.128 6.147) 10.294 6.739 ( 12.754 7.363 3.875) 15.228 7.167 ( 11.259 6.500 -10.599) 16.774 7.217 ( 9.545 5.511 6.253) 12.672 7.603 ( -2.861 -1.652 -6.889) 7.641 9.979 ( 12.663 7.311 11.467) 18.582 10.108 ( 9.300 5.369 -1.443) 10.835 10.947 ( -8.443 -4.874 -8.825) 13.150 11.220 ( -12.666 -7.313 -7.619) 16.491 11.860 ( -9.043 -5.221 12.460) 16.257 12.838 ( -16.730 -9.659 -0.124) 19.318 17.667 ( -8.715 -5.032 -5.077) 11.272 18.244 ( -7.688 -4.439 1.062) 8.940 18.326 ( 6.504 3.755 -1.279) 7.618 18.527 ( 5.530 3.193 -2.823) 6.982 21.117 ( -10.582 -6.109 11.474) 16.761 21.328 ( -8.075 -4.662 2.273) 9.597 27.393 ( 0.413 0.238 -0.393) 0.618 27.587 ( 2.242 1.295 -1.781) 3.143 36.857 ( 1.749 1.010 -5.541) 5.897 36.874 ( 7.707 4.450 4.550) 9.995 37.711 ( 19.695 11.371 11.213) 25.356 38.742 ( 14.064 8.120 -43.685) 46.606 ======================= Grid point 325 (109/189) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 18.167 10.489 -8.033) 22.463 2.359 ( 14.509 8.377 -1.858) 16.857 3.080 ( 7.912 4.568 -2.997) 9.615 3.270 ( -2.390 -1.380 2.010) 3.415 3.765 ( -4.498 -2.597 0.664) 5.236 4.240 ( -10.223 -5.902 3.660) 12.359 5.202 ( -10.995 -6.348 7.299) 14.645 5.307 ( -3.922 -2.264 18.035) 18.595 7.082 ( 14.262 8.234 5.331) 17.310 7.292 ( 4.807 2.775 -12.854) 14.001 7.438 ( 7.112 4.106 8.267) 11.652 7.507 ( -2.697 -1.557 -6.426) 7.141 10.258 ( 5.562 3.211 -5.510) 8.462 10.264 ( 7.486 4.322 2.587) 9.023 10.804 ( -0.963 -0.556 1.074) 1.546 10.877 ( -12.987 -7.498 -7.021) 16.559 11.785 ( -2.870 -1.657 8.215) 8.859 12.502 ( -13.487 -7.787 3.994) 16.078 17.464 ( -6.064 -3.501 -5.233) 8.741 18.049 ( -9.454 -5.458 0.968) 10.959 18.523 ( 9.853 5.689 3.104) 11.793 18.589 ( 1.675 0.967 -5.451) 5.784 20.981 ( -5.832 -3.367 6.129) 9.106 21.156 ( -7.483 -4.320 1.156) 8.718 27.416 ( 1.974 1.140 -0.696) 2.383 27.625 ( 1.550 0.895 -0.871) 1.990 36.882 ( 2.665 1.539 -4.505) 5.456 37.037 ( 4.596 2.654 4.382) 6.882 38.272 ( 22.596 13.046 15.809) 30.507 38.676 ( -0.433 -0.250 -35.544) 35.548 ======================= Grid point 326 (110/189) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 19.571 11.299 -19.748) 30.011 2.610 ( 9.588 5.536 -8.876) 14.190 3.121 ( -3.082 -1.779 -4.212) 5.514 3.187 ( -5.636 -3.254 -4.557) 7.945 3.594 ( -8.520 -4.919 6.624) 11.861 4.223 ( 4.924 2.843 11.591) 12.910 4.979 ( -11.649 -6.725 8.875) 16.115 5.253 ( -7.983 -4.609 14.784) 17.422 7.250 ( -2.195 -1.267 -13.809) 14.039 7.394 ( 10.154 5.862 4.392) 12.520 7.405 ( -3.512 -2.028 -5.792) 7.071 7.655 ( 7.742 4.470 10.599) 13.866 10.313 ( 2.667 1.540 -8.666) 9.197 10.347 ( 2.823 1.630 -6.355) 7.143 10.590 ( -8.201 -4.735 -7.911) 12.339 10.894 ( 3.715 2.145 9.481) 10.406 11.790 ( -0.060 -0.034 4.918) 4.919 12.259 ( -10.736 -6.198 6.891) 14.184 17.360 ( -0.418 -0.241 -5.388) 5.410 17.852 ( -7.850 -4.532 2.031) 9.289 18.553 ( -1.634 -0.944 -7.225) 7.468 18.777 ( 9.458 5.461 6.782) 12.856 20.907 ( -2.600 -1.501 2.373) 3.827 21.011 ( -5.645 -3.259 0.715) 6.558 27.473 ( 3.244 1.873 -0.763) 3.823 27.642 ( -0.033 -0.019 0.354) 0.356 36.921 ( 2.346 1.354 -3.335) 4.296 37.131 ( 1.771 1.023 4.251) 4.718 38.396 ( -8.424 -4.863 -29.382) 30.951 38.875 ( 22.182 12.807 17.453) 30.994 ======================= Grid point 327 (111/189) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( -3.911 -2.258 -11.862) 12.693 2.828 ( 9.032 5.214 -33.373) 34.965 2.919 ( -9.336 -5.390 -5.204) 11.971 3.044 ( 0.845 0.488 -0.698) 1.199 3.629 ( 7.313 4.222 14.887) 17.115 4.431 ( 5.274 3.045 5.438) 8.164 4.805 ( -7.903 -4.563 14.414) 17.060 5.134 ( -8.262 -4.770 13.966) 16.914 7.063 ( -7.618 -4.398 -12.797) 15.529 7.286 ( -4.323 -2.496 -5.224) 7.225 7.592 ( 5.745 3.317 3.714) 7.603 7.863 ( 4.659 2.690 9.666) 11.062 10.257 ( -3.733 -2.155 -11.482) 12.264 10.393 ( 4.338 2.504 -7.163) 8.740 10.477 ( 2.658 1.534 -5.917) 6.665 10.989 ( 0.382 0.220 8.049) 8.061 11.832 ( 2.480 1.432 1.920) 3.448 12.073 ( -9.344 -5.395 8.831) 13.943 17.391 ( 5.602 3.234 -5.883) 8.744 17.739 ( -3.030 -1.750 4.220) 5.482 18.459 ( -2.722 -1.571 -7.421) 8.059 18.985 ( 4.557 2.631 7.920) 9.509 20.896 ( 1.235 0.713 0.297) 1.457 20.904 ( -4.151 -2.397 0.585) 4.829 27.547 ( 3.402 1.964 -0.814) 4.012 27.625 ( -1.817 -1.049 1.395) 2.519 36.946 ( 0.907 0.524 -2.222) 2.456 37.168 ( -0.286 -0.165 4.074) 4.087 38.015 ( -12.124 -7.000 -24.095) 27.867 39.442 ( 19.553 11.289 15.718) 27.510 ======================= Grid point 328 (112/189) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( -11.982 -6.918 -5.198) 14.780 2.494 ( -13.012 -7.513 -14.019) 20.549 2.978 ( 6.737 3.890 -14.163) 16.159 3.122 ( 5.104 2.947 -2.931) 6.582 4.005 ( 18.465 10.661 8.061) 22.795 4.430 ( -4.923 -2.842 -3.893) 6.890 4.756 ( -6.304 -3.640 18.300) 19.694 5.049 ( -5.175 -2.988 13.090) 14.390 6.791 ( -10.678 -6.165 -9.455) 15.538 7.163 ( -3.877 -2.238 -5.206) 6.866 7.702 ( 2.535 1.464 2.384) 3.775 7.933 ( -2.604 -1.503 6.753) 7.392 10.073 ( -7.078 -4.086 -8.710) 11.944 10.413 ( -0.984 -0.568 -7.779) 7.861 10.607 ( 10.345 5.973 -4.811) 12.878 11.057 ( 4.535 2.618 6.138) 8.068 11.921 ( -8.517 -4.917 10.493) 14.381 11.951 ( 8.406 4.853 -0.643) 9.728 17.537 ( 9.593 5.539 -6.674) 12.932 17.764 ( 2.628 1.517 6.472) 7.148 18.370 ( -1.567 -0.905 -6.574) 6.819 19.041 ( -3.085 -1.781 6.040) 7.012 20.822 ( -3.550 -2.049 0.971) 4.212 20.972 ( 5.236 3.023 -0.031) 6.046 27.577 ( -2.992 -1.727 1.899) 3.942 27.610 ( 2.377 1.372 -1.011) 2.925 36.934 ( -1.270 -0.733 -1.068) 1.814 37.169 ( -1.357 -0.783 3.924) 4.225 37.613 ( -12.823 -7.403 -19.196) 24.243 39.912 ( 15.466 8.929 10.136) 20.534 ======================= Grid point 329 (113/189) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( -14.436 -8.335 1.584) 16.745 2.165 ( -12.159 -7.020 -3.620) 14.499 3.046 ( 4.394 2.537 -7.456) 9.019 3.203 ( 2.944 1.700 -4.236) 5.431 4.145 ( -19.481 -11.248 -4.684) 22.978 4.492 ( 21.026 12.139 2.135) 24.372 4.702 ( -4.232 -2.443 14.942) 15.721 5.038 ( -1.483 -0.856 11.243) 11.372 6.498 ( -11.314 -6.532 -4.929) 13.963 7.053 ( -3.583 -2.069 -5.384) 6.791 7.722 ( -3.094 -1.787 0.343) 3.590 7.833 ( -6.228 -3.596 3.385) 7.948 9.850 ( -9.757 -5.633 -3.129) 11.692 10.256 ( -7.904 -4.563 -7.763) 11.982 10.876 ( 14.740 8.510 -3.764) 17.432 11.281 ( 11.402 6.583 3.376) 13.592 11.806 ( -6.269 -3.619 13.183) 15.040 12.235 ( 17.402 10.047 -2.288) 20.224 17.738 ( 10.856 6.268 -7.166) 14.439 17.910 ( 6.442 3.720 7.616) 10.646 18.324 ( 0.300 0.173 -6.148) 6.157 18.915 ( -9.476 -5.471 2.668) 11.262 20.755 ( -3.052 -1.762 3.096) 4.691 21.118 ( 7.073 4.084 0.526) 8.184 27.515 ( -3.173 -1.832 1.760) 4.065 27.640 ( 0.673 0.389 -1.414) 1.614 36.861 ( -5.512 -3.182 -0.649) 6.397 37.153 ( -1.677 -0.968 3.609) 4.095 37.260 ( -9.537 -5.506 -13.922) 17.751 40.234 ( 10.010 5.779 -0.534) 11.571 ======================= Grid point 334 (114/189) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -0.000 11.889 21.246) 24.347 1.584 ( -0.000 16.982 25.504) 30.641 2.321 ( -0.000 21.675 39.907) 45.414 3.038 ( 0.000 1.060 -5.316) 5.420 3.173 ( -0.000 1.868 -1.132) 2.185 5.232 ( 0.000 -7.316 -1.817) 7.538 5.303 ( -0.000 -2.478 11.928) 12.183 5.454 ( 0.000 0.557 -1.699) 1.788 6.402 ( -0.000 -1.144 12.353) 12.406 6.546 ( 0.000 2.326 -5.693) 6.150 6.668 ( -0.000 13.651 -6.835) 15.266 7.793 ( 0.000 -2.934 -7.547) 8.097 9.453 ( -0.000 7.146 16.971) 18.414 9.517 ( -0.000 13.015 10.364) 16.637 11.478 ( 0.000 -4.453 -12.932) 13.677 11.526 ( 0.000 -5.527 -12.236) 13.426 12.487 ( -0.000 -4.661 8.759) 9.922 13.566 ( 0.000 -15.415 -8.450) 17.579 18.045 ( -0.000 1.933 0.256) 1.950 18.100 ( -0.000 1.624 1.557) 2.250 18.316 ( 0.000 -4.711 -3.652) 5.961 18.447 ( 0.000 -0.336 -0.444) 0.557 21.601 ( -0.000 -3.972 5.700) 6.947 22.012 ( 0.000 -38.002 12.271) 39.934 27.411 ( -0.000 0.398 0.937) 1.018 27.524 ( 0.000 -0.519 -1.159) 1.270 36.258 ( -0.000 2.879 2.576) 3.863 36.909 ( 0.000 0.274 -4.764) 4.772 37.016 ( -0.000 4.279 -2.989) 5.220 37.348 ( -0.000 81.027 -31.429) 86.909 ======================= Grid point 335 (115/189) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 5.938 15.182 14.634) 21.907 1.751 ( -8.846 15.855 22.473) 28.891 2.865 ( 1.944 6.009 7.000) 9.428 2.998 ( 9.431 13.316 15.355) 22.406 3.276 ( 9.548 0.767 -4.235) 10.473 5.030 ( -9.894 -7.783 -6.285) 14.070 5.343 ( -1.016 -3.664 16.502) 16.935 5.476 ( 0.033 -0.741 5.353) 5.404 6.470 ( 2.360 5.157 0.784) 5.725 6.648 ( 11.321 0.458 3.179) 11.768 6.899 ( 10.411 16.494 -6.275) 20.489 7.703 ( -2.172 -2.505 -7.758) 8.436 9.650 ( 4.357 8.956 16.572) 19.334 9.775 ( 8.213 9.340 8.031) 14.805 11.260 ( -8.399 -6.142 -13.565) 17.096 11.429 ( 0.544 -5.913 -11.979) 13.370 12.358 ( -14.241 -5.513 12.021) 19.434 13.279 ( -7.360 -19.257 -6.816) 21.713 17.984 ( -7.726 2.858 -2.203) 8.527 18.117 ( 3.474 -9.639 -1.543) 10.362 18.332 ( 4.160 4.426 -1.060) 6.165 18.427 ( -0.961 -0.722 -0.135) 1.210 21.547 ( -3.812 -5.983 4.838) 8.587 21.604 ( -14.010 -24.219 14.726) 31.618 27.415 ( -0.881 0.907 0.673) 1.432 27.523 ( 1.044 0.513 -1.846) 2.182 36.463 ( 14.628 2.062 2.677) 15.013 36.862 ( -2.321 1.833 -5.227) 6.006 37.158 ( 11.057 5.811 0.791) 12.516 38.065 ( 17.204 57.154 -40.626) 72.202 ======================= Grid point 336 (116/189) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 1.290 9.163 11.160) 14.497 1.995 ( 6.249 20.930 10.845) 24.387 2.810 ( 1.039 -2.119 -5.478) 5.965 3.281 ( 4.412 1.377 -0.114) 4.623 3.602 ( 13.264 9.408 11.323) 19.816 4.718 ( -13.895 -6.952 -4.468) 16.167 5.363 ( -1.290 -5.950 15.447) 16.604 5.471 ( -3.752 -1.986 10.280) 11.122 6.636 ( 9.313 8.392 -0.400) 12.542 6.901 ( 14.147 0.601 2.186) 14.327 7.204 ( 9.565 14.525 -4.993) 18.094 7.606 ( -2.675 -0.247 -7.253) 7.734 9.936 ( 8.456 8.051 14.388) 18.530 10.022 ( 8.128 6.135 4.281) 11.047 10.973 ( -8.549 -7.485 -12.106) 16.604 11.280 ( -5.216 -4.702 -10.709) 12.806 12.089 ( -16.223 -5.965 13.473) 21.916 12.910 ( -9.551 -19.038 -3.264) 21.548 17.797 ( -11.978 -1.374 -2.640) 12.343 18.147 ( 9.905 -4.763 -3.141) 11.430 18.305 ( -4.642 -5.130 1.468) 7.073 18.513 ( 3.791 7.912 -2.370) 9.088 21.279 ( -10.925 -12.603 11.536) 20.280 21.412 ( -6.562 -6.997 2.980) 10.045 27.410 ( -1.142 1.701 0.198) 2.059 27.551 ( 2.246 1.230 -2.099) 3.311 36.740 ( 13.215 1.351 2.460) 13.509 36.833 ( -0.355 2.831 -5.177) 5.911 37.514 ( 19.772 8.163 7.575) 22.692 38.515 ( 8.136 31.973 -38.832) 50.955 ======================= Grid point 337 (117/189) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 7.094 7.506 -0.106) 10.328 2.356 ( 6.234 20.225 1.785) 21.239 2.837 ( 10.308 -8.883 -2.133) 13.774 3.352 ( 1.763 6.130 -4.136) 7.602 3.810 ( -0.525 0.597 7.935) 7.975 4.407 ( -13.076 -5.165 1.263) 14.116 5.298 ( -5.182 -9.161 7.061) 12.674 5.444 ( -4.331 -2.785 14.853) 15.720 6.918 ( 13.037 5.947 1.404) 14.397 7.128 ( 10.608 1.839 -1.787) 10.914 7.442 ( 6.053 10.419 -1.223) 12.111 7.535 ( -3.123 3.095 -6.227) 7.622 10.145 ( 5.654 1.529 1.026) 5.946 10.268 ( 6.190 9.523 6.260) 12.969 10.732 ( -2.428 -9.920 -5.883) 11.786 11.054 ( -11.272 -0.644 -8.057) 13.870 11.883 ( -8.359 -5.083 10.521) 14.367 12.572 ( -7.892 -17.188 0.826) 18.931 17.568 ( -10.833 -0.980 -2.689) 11.205 18.127 ( -6.317 -7.208 -1.622) 9.720 18.333 ( 12.247 -0.684 2.199) 12.462 18.609 ( 1.032 6.541 -4.064) 7.770 21.083 ( -7.240 -6.702 7.172) 12.197 21.235 ( -7.064 -6.528 1.361) 9.714 27.420 ( -0.194 2.792 -0.105) 2.801 27.595 ( 2.424 1.234 -1.544) 3.127 36.847 ( 1.426 3.421 -4.522) 5.847 36.956 ( 9.181 0.513 2.637) 9.566 38.044 ( 25.012 8.889 12.774) 29.458 38.597 ( -3.244 16.670 -32.918) 37.041 ======================= Grid point 338 (118/189) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 11.967 3.155 -12.226) 17.396 2.576 ( 4.394 9.383 -9.448) 14.022 2.948 ( 10.182 -4.490 2.632) 11.435 3.370 ( -7.404 7.548 -7.656) 13.054 3.742 ( -8.482 -2.536 7.594) 11.664 4.266 ( -1.111 -0.046 9.680) 9.743 5.113 ( -8.517 -9.338 6.226) 14.089 5.388 ( -5.408 -6.491 11.834) 14.540 7.102 ( 5.915 -2.431 -5.977) 8.754 7.291 ( 6.502 0.164 -1.567) 6.690 7.508 ( -2.834 10.538 -3.441) 11.442 7.643 ( 6.621 7.223 5.744) 11.358 10.215 ( 3.083 0.394 -5.056) 5.935 10.360 ( -2.022 5.205 -6.538) 8.598 10.634 ( -3.548 -5.041 -2.313) 6.584 10.911 ( -0.544 2.089 3.320) 3.960 11.799 ( -1.568 -5.089 6.490) 8.395 12.315 ( -5.112 -15.363 4.254) 16.740 17.403 ( -6.677 1.610 -2.898) 7.455 17.929 ( -7.096 -6.969 0.064) 9.946 18.511 ( 4.078 0.046 -2.903) 5.006 18.696 ( 7.498 4.974 1.621) 9.142 20.962 ( -4.549 -3.464 3.536) 6.723 21.073 ( -5.728 -4.911 0.607) 7.569 27.460 ( 1.207 3.604 -0.270) 3.810 27.634 ( 1.421 0.640 -0.435) 1.618 36.891 ( 1.887 3.497 -3.356) 5.201 37.095 ( 5.450 -0.509 2.682) 6.095 38.411 ( -9.825 7.175 -26.313) 28.990 38.659 ( 24.585 8.619 14.140) 29.642 ======================= Grid point 339 (119/189) ======================= q-point: ( 0.67 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 9.799 -9.085 -19.480) 23.623 2.643 ( 7.645 -0.830 -11.987) 14.242 3.106 ( -2.757 13.767 -8.549) 16.438 3.134 ( -12.795 -0.069 -3.046) 13.153 3.660 ( -1.865 -0.893 12.228) 12.401 4.422 ( 5.641 4.686 8.367) 11.126 4.934 ( -6.094 -7.029 9.452) 13.262 5.271 ( -6.171 -7.977 11.173) 15.052 7.043 ( -2.888 -3.937 -9.955) 11.088 7.282 ( -1.569 -3.816 -3.527) 5.428 7.612 ( 1.359 9.595 1.644) 9.829 7.864 ( 6.029 5.710 8.059) 11.571 10.218 ( 0.805 0.867 -9.335) 9.410 10.353 ( 0.793 4.655 -7.701) 9.033 10.482 ( -5.977 1.771 -5.772) 8.496 11.003 ( 2.885 -0.886 7.865) 8.424 11.780 ( 2.406 -5.418 3.455) 6.862 12.130 ( -3.404 -13.800 6.749) 15.734 17.350 ( -0.598 3.832 -3.672) 5.340 17.779 ( -3.581 -5.091 2.334) 6.647 18.472 ( -3.318 0.872 -6.887) 7.694 18.928 ( 9.616 2.139 6.480) 11.792 20.899 ( -1.345 -0.938 1.059) 1.953 20.952 ( -4.170 -3.212 0.490) 5.287 27.522 ( 1.999 3.369 -0.561) 3.957 27.647 ( -0.362 0.016 0.761) 0.843 36.934 ( 0.978 2.831 -2.148) 3.686 37.165 ( 2.421 -1.232 2.437) 3.649 38.102 ( -15.562 2.987 -22.105) 27.198 39.235 ( 24.012 6.051 14.054) 28.473 ======================= Grid point 340 (120/189) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 5.340 -15.963 -15.225) 22.697 2.670 ( -8.280 1.413 -12.872) 15.370 2.792 ( -1.619 -5.518 -4.444) 7.268 3.238 ( -3.859 18.676 -6.817) 20.252 3.840 ( 13.833 3.038 10.364) 17.550 4.485 ( -3.626 0.082 -0.329) 3.642 4.896 ( -2.430 -2.776 14.111) 14.586 5.163 ( -4.707 -6.572 12.127) 14.575 6.858 ( -8.076 -3.477 -8.028) 11.907 7.176 ( -3.916 -3.416 -3.485) 6.257 7.714 ( 0.754 4.708 2.170) 5.239 7.999 ( 0.082 2.300 6.000) 6.426 10.129 ( -6.403 1.330 -9.156) 11.251 10.379 ( 0.978 3.457 -7.624) 8.428 10.491 ( 5.836 5.243 -4.996) 9.301 11.053 ( 1.445 -0.550 5.667) 5.874 11.824 ( 7.033 -3.645 1.470) 8.057 11.989 ( -2.845 -12.132 8.686) 15.190 17.413 ( 5.488 4.266 -4.807) 8.451 17.747 ( 2.098 -2.548 4.953) 5.952 18.387 ( -3.459 2.089 -6.768) 7.883 19.073 ( 2.104 -1.070 5.657) 6.129 20.866 ( -3.350 -2.084 0.940) 4.056 20.919 ( 3.205 1.389 0.110) 3.495 27.571 ( 0.980 0.554 -0.629) 1.290 27.638 ( -1.385 1.280 1.128) 2.197 36.950 ( -0.820 1.538 -0.974) 1.997 37.185 ( 0.454 -1.546 1.691) 2.336 37.738 ( -17.138 1.462 -16.340) 23.724 39.720 ( 20.015 3.141 8.780) 22.081 ======================= Grid point 341 (121/189) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 2.694 -11.516 -5.277) 12.951 2.325 ( -17.897 -5.750 -0.170) 18.799 2.861 ( 9.787 -1.185 -8.572) 13.064 3.293 ( -4.678 14.505 -6.268) 16.479 4.219 ( 16.459 3.275 2.472) 16.963 4.353 ( -7.222 -0.173 -2.291) 7.579 4.852 ( -6.957 -3.612 13.558) 15.661 5.112 ( -2.353 -4.649 12.336) 13.392 6.638 ( -11.101 -1.210 -2.985) 11.559 7.056 ( -3.931 -3.351 -3.666) 6.334 7.749 ( -0.938 1.494 0.095) 1.767 7.966 ( -7.450 -0.638 2.988) 8.052 9.963 ( -9.500 -0.295 -3.366) 10.083 10.318 ( -5.851 0.127 -7.861) 9.800 10.692 ( 12.693 7.407 -5.092) 15.554 11.173 ( 8.509 3.392 3.369) 9.760 11.859 ( -1.272 -12.041 10.460) 16.000 12.018 ( 13.915 2.257 0.285) 14.099 17.557 ( 9.847 3.229 -5.584) 11.772 17.844 ( 7.079 -0.792 6.780) 9.834 18.334 ( -2.247 3.970 -6.619) 8.039 19.030 ( -6.555 -3.796 2.603) 8.010 20.805 ( -2.763 -1.334 2.685) 4.077 21.031 ( 6.955 2.592 0.404) 7.433 27.548 ( -2.011 -2.144 0.814) 3.051 27.647 ( -0.563 2.369 -0.822) 2.570 36.920 ( -3.526 -0.359 -0.094) 3.546 37.166 ( -0.974 -2.246 -1.795) 3.036 37.404 ( -15.826 3.220 -7.874) 17.968 40.052 ( 14.178 -0.312 -1.044) 14.220 ======================= Grid point 347 (122/189) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -0.000 13.462 11.773) 17.884 2.114 ( -0.000 11.820 19.870) 23.120 3.002 ( 0.000 4.910 -9.601) 10.783 3.078 ( 0.000 -7.853 -7.999) 11.210 3.163 ( -0.000 24.401 28.938) 37.852 4.994 ( 0.000 -8.771 -8.659) 12.325 5.384 ( -0.000 -4.569 14.836) 15.524 5.524 ( -0.000 0.908 9.645) 9.688 6.482 ( -0.000 2.418 -0.333) 2.441 6.605 ( -0.000 3.817 7.339) 8.273 6.950 ( -0.000 21.235 -7.716) 22.594 7.658 ( 0.000 -1.548 -7.751) 7.904 9.797 ( -0.000 7.886 18.072) 19.718 9.842 ( -0.000 8.855 8.814) 12.494 11.211 ( 0.000 -12.349 -13.425) 18.241 11.277 ( 0.000 -1.392 -12.993) 13.067 12.500 ( -0.000 -4.337 9.712) 10.637 13.079 ( 0.000 -24.101 -6.984) 25.093 17.952 ( 0.000 -10.299 -3.736) 10.956 18.113 ( 0.000 -1.378 0.673) 1.534 18.321 ( -0.000 9.877 -3.286) 10.409 18.418 ( 0.000 -3.075 1.618) 3.475 21.536 ( 0.000 -8.117 4.499) 9.281 21.537 ( 0.000 -24.062 12.083) 26.926 27.441 ( -0.000 1.833 0.867) 2.027 27.506 ( 0.000 0.392 -2.272) 2.305 36.383 ( -0.000 7.206 1.275) 7.318 36.912 ( -0.000 3.688 -1.533) 3.994 37.086 ( -0.000 5.286 -1.963) 5.639 38.333 ( -0.000 54.969 -33.840) 64.550 ======================= Grid point 348 (123/189) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 3.903 10.218 8.224) 13.685 2.243 ( -4.726 10.151 17.037) 20.387 2.813 ( -7.400 -4.099 -10.091) 13.167 3.122 ( 9.173 -1.367 -8.431) 12.534 3.629 ( 8.116 19.198 19.425) 28.492 4.801 ( -7.055 -8.346 -6.746) 12.843 5.388 ( -1.737 -7.214 12.688) 14.698 5.571 ( -2.126 -0.255 11.608) 11.804 6.567 ( 6.832 6.567 -3.455) 10.087 6.762 ( 7.267 3.280 10.106) 12.872 7.180 ( 6.583 18.765 -8.380) 21.580 7.609 ( -1.085 2.175 -6.650) 7.080 9.982 ( 2.984 3.983 11.556) 12.582 10.007 ( 5.428 7.387 12.052) 15.142 10.949 ( -6.153 -11.782 -13.252) 18.769 11.216 ( 0.123 -1.459 -11.455) 11.548 12.376 ( -13.900 -4.975 10.521) 18.129 12.778 ( -3.162 -23.535 -4.994) 24.266 17.859 ( 3.112 -13.114 -2.320) 13.676 18.022 ( -5.448 2.233 -2.745) 6.497 18.339 ( -3.629 -2.940 2.542) 5.317 18.499 ( 5.224 8.900 -3.018) 10.752 21.335 ( -5.585 -16.182 9.700) 19.675 21.436 ( -3.638 -9.357 2.989) 10.475 27.456 ( -1.197 2.509 0.635) 2.851 27.515 ( 1.721 1.059 -2.537) 3.244 36.559 ( 10.142 5.850 0.291) 11.712 36.886 ( -4.253 4.483 -2.141) 6.540 37.301 ( 16.174 6.119 3.588) 17.661 38.649 ( -0.369 40.232 -30.774) 50.653 ======================= Grid point 349 (124/189) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( -2.101 8.102 4.552) 9.528 2.457 ( 10.058 8.306 13.393) 18.695 2.615 ( -2.676 -7.540 -10.186) 12.952 3.256 ( 9.844 4.702 -8.549) 13.860 3.926 ( -0.983 10.237 12.804) 16.423 4.545 ( -9.766 -8.047 -2.683) 12.936 5.315 ( -3.786 -9.220 8.764) 13.272 5.545 ( -4.709 -4.210 8.492) 10.584 6.796 ( 10.837 7.880 0.566) 13.411 6.974 ( 9.040 1.550 5.495) 10.692 7.413 ( 6.992 12.296 -6.354) 15.507 7.604 ( -1.841 8.317 -5.554) 10.169 10.095 ( 3.579 0.535 4.158) 5.512 10.280 ( 9.065 7.013 13.536) 17.736 10.659 ( -6.263 -10.984 -11.367) 17.002 11.119 ( -3.906 -0.578 -9.838) 10.601 12.107 ( -16.222 -5.035 10.290) 19.859 12.473 ( -4.265 -21.094 -2.098) 21.622 17.720 ( -6.909 -6.374 1.570) 9.531 18.021 ( 5.444 -2.807 -7.824) 9.937 18.263 ( -1.963 -2.007 6.213) 6.818 18.627 ( 1.809 7.968 -5.083) 9.623 21.153 ( -5.722 -9.587 6.714) 13.028 21.275 ( -5.421 -8.867 1.299) 10.474 27.466 ( -1.070 3.268 0.511) 3.477 27.553 ( 2.586 1.555 -2.341) 3.819 36.789 ( 10.620 2.967 -0.362) 11.032 36.870 ( -1.206 4.835 -2.562) 5.603 37.750 ( 24.255 5.988 9.730) 26.811 38.761 ( -7.585 26.717 -26.679) 38.511 ======================= Grid point 350 (125/189) ======================= q-point: ( 0.58 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -1.296 6.704 -4.102) 7.966 2.462 ( 2.884 -13.096 -8.615) 15.938 2.816 ( 11.878 9.569 11.369) 19.024 3.429 ( 5.158 9.168 -10.002) 14.515 3.950 ( -10.201 5.489 8.606) 14.431 4.329 ( -4.806 -6.934 4.183) 9.417 5.169 ( -6.498 -9.929 5.819) 13.216 5.430 ( -4.298 -9.090 4.108) 10.862 7.005 ( 4.506 3.787 0.061) 5.887 7.148 ( 8.793 -1.222 0.795) 8.913 7.613 ( 7.031 8.850 0.352) 11.308 7.649 ( -1.867 12.570 -4.557) 13.500 10.165 ( 2.583 0.846 -0.492) 2.762 10.414 ( -5.084 -2.517 -9.042) 10.674 10.572 ( 8.859 1.372 10.182) 13.566 10.977 ( -5.944 -0.143 -7.018) 9.198 11.870 ( -10.273 -5.948 7.531) 14.058 12.209 ( -2.566 -19.464 0.797) 19.648 17.557 ( -8.765 -0.226 1.859) 8.963 17.939 ( -3.208 -8.113 -4.281) 9.718 18.390 ( 10.034 2.523 4.823) 11.415 18.668 ( -0.070 4.908 -5.857) 7.642 21.019 ( -4.657 -5.375 3.872) 8.097 21.110 ( -4.939 -6.800 0.355) 8.412 27.494 ( -0.236 4.178 0.440) 4.208 27.602 ( 2.516 1.139 -1.524) 3.154 36.894 ( 0.719 4.881 -2.381) 5.478 36.976 ( 8.182 0.778 -0.130) 8.220 38.308 ( 26.813 4.351 12.027) 29.707 38.656 ( -13.865 16.928 -21.335) 30.561 ======================= Grid point 351 (126/189) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -2.558 -1.031 -12.602) 12.900 2.404 ( 8.688 -9.321 -5.918) 14.049 3.147 ( 9.650 10.652 7.486) 16.206 3.370 ( -13.422 3.054 -10.651) 17.404 3.842 ( -11.719 5.781 5.378) 14.131 4.377 ( 8.944 0.241 8.672) 12.461 4.986 ( -5.959 -8.838 4.842) 11.708 5.282 ( -2.553 -12.087 3.425) 12.820 7.029 ( -2.261 0.613 -3.674) 4.357 7.222 ( 2.881 -3.662 -1.372) 4.857 7.722 ( -1.403 10.892 -1.014) 11.028 7.845 ( 7.609 7.357 4.423) 11.471 10.190 ( 0.170 3.088 -5.168) 6.022 10.332 ( 1.308 1.269 -6.641) 6.886 10.637 ( -8.779 5.825 -2.880) 10.922 10.947 ( 5.470 -2.764 4.849) 7.814 11.720 ( -2.714 -8.280 4.230) 9.686 12.012 ( 0.140 -18.419 3.269) 18.707 17.447 ( -6.503 3.131 0.668) 7.248 17.784 ( -3.345 -7.285 -0.540) 8.034 18.517 ( -2.302 4.523 -4.309) 6.657 18.772 ( 11.951 0.580 2.669) 12.259 20.929 ( -2.947 -2.457 1.663) 4.182 20.984 ( -3.583 -4.293 0.174) 5.594 27.540 ( 0.355 4.247 -0.057) 4.262 27.640 ( 1.534 0.398 -0.194) 1.597 36.945 ( 0.799 4.393 -1.605) 4.745 37.091 ( 5.242 -0.567 -0.276) 5.280 38.377 ( -19.270 11.509 -16.312) 27.746 38.894 ( 27.235 1.054 11.347) 29.523 ======================= Grid point 352 (127/189) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( -0.834 -6.407 -11.065) 12.813 2.485 ( 11.116 -3.499 -7.142) 13.668 3.016 ( -20.543 -2.330 -5.999) 21.528 3.438 ( 4.848 17.088 0.169) 17.763 3.767 ( -2.856 1.984 5.594) 6.586 4.528 ( 0.297 0.109 2.121) 2.144 4.913 ( 2.240 -4.441 7.733) 9.195 5.163 ( 0.175 -11.405 5.460) 12.646 6.932 ( -6.448 0.342 -3.792) 7.489 7.184 ( -1.834 -3.330 -1.514) 4.092 7.787 ( -1.467 6.305 1.314) 6.605 8.023 ( 3.590 3.548 3.696) 6.256 10.195 ( -1.709 6.108 -7.331) 9.694 10.374 ( 2.144 5.333 -6.212) 8.463 10.511 ( -6.689 5.221 -3.779) 9.289 11.031 ( 3.252 -2.559 4.848) 6.374 11.667 ( 4.634 -8.279 2.403) 9.787 11.881 ( 2.022 -17.073 5.326) 17.999 17.408 ( -1.818 3.762 -1.106) 4.322 17.703 ( 0.803 -5.207 2.755) 5.946 18.457 ( -4.992 4.739 -6.175) 9.248 18.988 ( 9.327 -1.711 3.983) 10.285 20.896 ( 0.193 -0.252 0.418) 0.525 20.901 ( -2.534 -2.282 0.566) 3.457 27.575 ( -0.197 2.353 -0.738) 2.473 27.662 ( 0.390 0.673 0.812) 1.125 36.981 ( -0.488 3.149 -0.752) 3.274 37.144 ( 2.492 -1.056 -1.079) 2.914 38.054 ( -21.243 9.097 -10.508) 25.386 39.384 ( 24.410 -2.407 6.929) 25.488 ======================= Grid point 353 (128/189) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 3.885 -2.426 -2.526) 5.231 2.612 ( -19.073 -0.848 -1.566) 19.156 2.624 ( 10.071 -3.214 -6.415) 12.365 3.548 ( -9.625 17.690 -5.049) 20.762 3.943 ( 17.864 -1.139 5.110) 18.615 4.445 ( -6.042 -2.677 -2.323) 7.005 4.939 ( -0.766 -3.941 5.700) 6.972 5.128 ( 1.228 -8.089 9.708) 12.696 6.805 ( -8.376 2.779 -0.136) 8.826 7.093 ( -4.467 -2.168 -1.243) 5.118 7.799 ( -2.634 2.128 0.522) 3.426 8.061 ( -2.567 -0.298 1.140) 2.824 10.138 ( -8.927 6.249 -3.204) 11.358 10.371 ( -3.319 3.762 -7.072) 8.671 10.560 ( 6.774 5.587 -3.681) 9.521 11.097 ( 4.995 0.876 2.089) 5.485 11.730 ( 6.655 -10.371 4.606) 13.155 11.817 ( 7.513 -9.299 4.324) 12.712 17.449 ( 3.706 2.992 -2.279) 5.280 17.740 ( 5.926 -3.407 5.302) 8.651 18.399 ( -3.950 5.575 -5.989) 9.086 19.059 ( 0.432 -3.994 1.328) 4.231 20.847 ( -2.156 -1.247 1.721) 3.027 20.949 ( 4.791 1.216 0.356) 4.955 27.565 ( -1.693 -0.291 -0.266) 1.738 27.676 ( -0.406 1.381 -0.085) 1.442 36.976 ( -2.561 1.488 -0.109) 2.964 37.143 ( -0.162 -1.263 -3.327) 3.562 37.752 ( -19.975 9.577 -2.636) 22.308 39.731 ( 18.876 -5.915 -1.726) 19.856 ======================= Grid point 360 (129/189) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -0.000 6.084 4.385) 7.500 2.409 ( -0.000 -4.356 11.149) 11.970 2.737 ( 0.000 -10.129 -9.685) 14.014 3.011 ( 0.000 5.282 -6.389) 8.290 3.895 ( -0.000 24.275 17.199) 29.750 4.726 ( 0.000 -10.413 -7.221) 12.672 5.393 ( -0.000 -9.003 11.118) 14.306 5.658 ( -0.000 0.928 10.527) 10.568 6.531 ( -0.000 4.929 -2.671) 5.606 6.815 ( -0.000 6.240 11.444) 13.035 7.265 ( -0.000 17.597 -9.607) 20.048 7.632 ( -0.000 7.412 -4.646) 8.748 10.027 ( -0.000 2.069 5.630) 5.998 10.087 ( -0.000 1.949 16.019) 16.137 10.792 ( 0.000 -15.114 -12.248) 19.454 11.175 ( 0.000 3.321 -9.669) 10.223 12.511 ( -0.000 -4.235 8.464) 9.464 12.539 ( 0.000 -22.787 -4.657) 23.258 17.662 ( 0.000 -13.296 -4.351) 13.989 18.065 ( 0.000 -3.560 -0.328) 3.575 18.371 ( -0.000 -4.333 3.720) 5.710 18.545 ( -0.000 15.694 -4.334) 16.281 21.270 ( 0.000 -14.320 7.574) 16.199 21.380 ( 0.000 -10.876 2.055) 11.068 27.489 ( 0.000 0.689 -2.866) 2.948 27.504 ( -0.000 3.543 0.798) 3.632 36.549 ( -0.000 8.717 -0.288) 8.722 37.021 ( -0.000 5.034 5.032) 7.118 37.175 ( -0.000 5.187 -1.181) 5.320 38.898 ( -0.000 35.913 -25.790) 44.214 ======================= Grid point 361 (130/189) ======================= q-point: ( 0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 6.144 4.808 2.613) 8.227 2.286 ( 2.120 -19.581 -2.582) 19.864 2.658 ( -2.909 1.753 3.966) 5.222 3.108 ( 7.780 5.660 -5.079) 10.879 4.178 ( -2.847 19.553 11.591) 22.908 4.542 ( -4.318 -11.574 -5.840) 13.664 5.324 ( -2.274 -10.466 7.766) 13.229 5.645 ( -6.790 -2.152 5.957) 9.285 6.672 ( 10.435 5.081 1.122) 11.661 6.956 ( 2.321 5.607 8.747) 10.646 7.401 ( 4.083 12.472 -8.153) 15.450 7.706 ( -0.920 12.617 -3.985) 13.263 10.069 ( 1.587 -1.239 4.132) 4.596 10.225 ( 7.364 -2.513 12.358) 14.603 10.574 ( -2.251 -11.034 -9.507) 14.737 11.143 ( -3.147 3.674 -7.514) 8.936 12.282 ( -3.917 -17.194 -1.373) 17.688 12.404 ( -11.093 -5.707 5.709) 13.719 17.579 ( 6.781 -12.209 -2.124) 14.126 17.989 ( -3.499 -2.615 -2.436) 5.002 18.321 ( -2.705 -3.218 5.244) 6.721 18.685 ( 0.159 14.055 -5.236) 15.000 21.157 ( -2.599 -10.164 5.421) 11.809 21.254 ( -2.695 -10.629 0.764) 10.992 27.492 ( 0.943 1.003 -1.767) 2.240 27.544 ( 0.049 3.974 -0.216) 3.980 36.686 ( 6.025 7.076 -0.825) 9.331 36.980 ( -6.549 4.885 1.508) 8.309 37.458 ( 20.024 4.053 6.231) 21.359 39.040 ( -6.499 28.121 -21.760) 36.145 ======================= Grid point 362 (131/189) ======================= q-point: ( 0.58 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 5.980 -16.805 -3.408) 18.160 2.280 ( -1.366 2.359 -2.360) 3.606 2.769 ( 9.293 3.445 12.458) 15.920 3.312 ( 11.352 7.533 -6.664) 15.167 4.276 ( -10.884 11.252 6.745) 17.046 4.319 ( -4.381 -8.562 -2.775) 10.010 5.201 ( -3.937 -10.774 6.008) 12.949 5.461 ( -9.928 -6.944 -0.632) 12.132 6.925 ( 11.548 1.918 2.842) 12.046 7.068 ( 1.150 3.551 3.860) 5.370 7.576 ( 6.957 10.195 -2.969) 12.694 7.787 ( -2.014 13.143 -4.437) 14.017 10.115 ( 3.667 -1.173 2.079) 4.376 10.311 ( 3.408 -11.307 -1.940) 11.968 10.516 ( 6.592 1.238 5.084) 8.417 11.055 ( -6.680 3.095 -6.366) 9.733 12.050 ( -5.949 -13.248 1.142) 14.568 12.128 ( -14.739 -7.302 3.057) 16.731 17.592 ( 4.808 -8.333 2.667) 9.984 17.878 ( -3.506 -3.728 -5.635) 7.612 18.323 ( 3.108 -0.388 6.605) 7.310 18.746 ( -3.904 10.854 -6.570) 13.275 21.048 ( -3.200 -6.413 3.362) 7.916 21.106 ( -3.272 -8.395 -0.048) 9.010 27.523 ( 1.701 1.556 -0.079) 2.307 27.582 ( 0.363 3.730 -1.293) 3.964 36.854 ( 7.068 4.221 -0.869) 8.278 36.956 ( -2.411 4.854 -0.003) 5.420 37.930 ( 26.209 1.234 10.083) 28.109 38.998 ( -14.382 20.926 -17.565) 30.875 ======================= Grid point 363 (132/189) ======================= q-point: ( 0.67 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 8.080 -14.652 -1.548) 16.804 2.188 ( -7.130 4.352 -6.492) 10.580 3.071 ( 12.437 1.154 14.319) 19.001 3.489 ( 0.415 7.672 -11.035) 13.446 4.168 ( -2.129 -0.530 4.996) 5.456 4.244 ( -5.520 5.091 0.993) 7.575 5.043 ( -6.493 -9.115 5.558) 12.495 5.211 ( -6.046 -11.107 -3.792) 13.202 7.078 ( 1.292 1.522 1.139) 2.298 7.108 ( 3.056 -1.582 -0.011) 3.441 7.797 ( 8.092 7.917 0.843) 11.353 7.851 ( -2.031 10.640 -2.424) 11.100 10.191 ( 3.041 2.859 -0.487) 4.202 10.252 ( 2.947 -3.354 -3.856) 5.900 10.720 ( 10.147 -0.557 6.850) 12.255 10.917 ( -8.739 2.652 -5.320) 10.570 11.804 ( -12.691 -6.733 3.500) 14.786 11.860 ( -3.341 -15.288 -0.051) 15.649 17.576 ( -2.976 -2.068 4.655) 5.900 17.741 ( -2.745 -6.318 -4.923) 8.467 18.498 ( 11.369 1.271 5.793) 12.823 18.709 ( -5.768 7.257 -6.793) 11.492 20.959 ( -2.844 -3.566 1.668) 4.857 20.988 ( -2.463 -5.238 -0.212) 5.792 27.574 ( 1.361 2.490 0.954) 2.993 27.615 ( 0.935 2.170 -1.518) 2.808 36.976 ( 0.900 4.209 -0.126) 4.306 36.998 ( 4.704 2.238 -1.014) 5.307 38.449 ( 27.956 -2.262 9.808) 29.713 38.797 ( -20.009 15.555 -12.783) 28.385 ======================= Grid point 364 (133/189) ======================= q-point: (-0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -8.330 0.092 -2.520) 8.703 2.216 ( 11.083 -4.478 -5.050) 12.976 3.303 ( -16.338 1.710 -7.866) 18.213 3.353 ( 12.447 -1.265 10.194) 16.138 4.073 ( -16.429 14.311 -1.025) 21.812 4.421 ( 14.625 -2.647 3.009) 15.165 4.885 ( -3.910 -5.863 4.116) 8.161 5.032 ( 0.441 -12.247 -1.577) 12.356 7.040 ( -5.421 2.180 -0.453) 5.860 7.142 ( 2.383 -3.213 -0.516) 4.033 7.892 ( -2.546 6.470 0.589) 6.978 7.987 ( 5.885 3.376 0.908) 6.845 10.249 ( -0.016 7.351 -2.952) 7.922 10.327 ( 5.783 3.624 -3.084) 7.489 10.734 ( -12.428 6.699 -3.504) 14.547 10.915 ( 9.302 -4.971 4.122) 11.324 11.585 ( -4.805 -7.763 1.856) 9.316 11.694 ( 1.227 -15.618 1.744) 15.763 17.509 ( -5.708 1.405 1.742) 6.131 17.641 ( 0.590 -6.365 -0.457) 6.409 18.599 ( -7.436 8.005 -3.978) 11.628 18.780 ( 13.475 -2.355 2.424) 13.892 20.903 ( -1.367 -1.386 0.587) 2.033 20.915 ( -1.724 -2.656 0.038) 3.166 27.610 ( -0.894 2.880 -0.359) 3.037 27.647 ( 2.027 0.218 0.240) 2.053 37.019 ( -0.191 3.611 0.011) 3.617 37.082 ( 3.596 0.594 -1.300) 3.869 38.505 ( -23.044 13.348 -6.653) 27.449 38.928 ( 26.929 -6.469 5.315) 28.200 ======================= Grid point 365 (134/189) ======================= q-point: (-0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( -2.661 7.077 2.364) 7.922 2.366 ( 12.757 -1.929 -5.245) 13.927 2.953 ( -20.609 1.898 -3.328) 20.962 3.631 ( 17.225 -4.737 6.496) 19.009 3.925 ( -15.893 14.094 -1.729) 21.312 4.480 ( -2.601 -4.547 -2.717) 5.901 4.886 ( 2.852 -4.161 0.890) 5.123 4.988 ( 7.920 -9.459 4.765) 13.225 6.970 ( -5.960 4.116 1.588) 7.415 7.124 ( -1.205 -1.610 -0.441) 2.059 7.884 ( -4.158 2.074 1.325) 4.832 8.060 ( 1.442 -1.565 -0.790) 2.270 10.302 ( -2.241 9.776 -3.481) 10.616 10.435 ( 1.036 5.984 -4.150) 7.356 10.584 ( -8.038 4.251 -0.635) 9.115 11.012 ( 5.782 -2.714 0.792) 6.437 11.541 ( 5.827 -6.687 2.366) 9.179 11.616 ( 5.193 -11.894 3.077) 13.338 17.457 ( -2.119 1.761 -0.063) 2.756 17.635 ( 4.325 -4.545 2.852) 6.892 18.529 ( -6.861 7.514 -3.587) 10.789 18.947 ( 7.840 -4.478 0.219) 9.031 20.872 ( -1.421 -1.157 0.708) 1.964 20.901 ( 1.809 0.030 0.367) 1.846 27.600 ( -2.098 1.091 -0.459) 2.409 27.678 ( 1.024 0.014 0.124) 1.031 37.033 ( -1.731 2.284 0.250) 2.876 37.115 ( 0.971 -0.120 -2.371) 2.565 38.225 ( -22.321 13.366 0.333) 26.019 39.284 ( 22.640 -9.940 -2.191) 24.823 ======================= Grid point 373 (135/189) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 0.000 -24.752 -6.055) 25.482 2.116 ( -0.000 2.364 1.181) 2.643 2.745 ( -0.000 0.716 8.125) 8.156 3.063 ( -0.000 3.533 -1.691) 3.917 4.422 ( 0.000 -12.771 -6.642) 14.395 4.462 ( -0.000 20.173 6.610) 21.229 5.260 ( 0.000 -11.852 3.981) 12.502 5.739 ( -0.000 -1.718 5.085) 5.367 6.623 ( -0.000 3.865 2.791) 4.767 7.046 ( -0.000 5.661 8.259) 10.013 7.440 ( -0.000 11.547 -7.704) 13.881 7.830 ( -0.000 13.743 -3.498) 14.181 10.062 ( -0.000 -1.439 2.240) 2.662 10.141 ( -0.000 -10.491 8.193) 13.312 10.449 ( 0.000 -8.347 -4.204) 9.346 11.189 ( 0.000 4.873 -4.910) 6.917 12.140 ( 0.000 -13.214 -2.463) 13.442 12.504 ( -0.000 -3.793 4.905) 6.201 17.380 ( 0.000 -10.627 -2.781) 10.985 17.976 ( 0.000 -4.418 -0.836) 4.496 18.327 ( -0.000 -4.579 4.650) 6.526 18.822 ( -0.000 16.650 -4.828) 17.335 21.108 ( 0.000 -8.567 3.915) 9.420 21.170 ( 0.000 -10.802 -0.012) 10.802 27.477 ( 0.000 1.116 -2.513) 2.749 27.588 ( -0.000 3.889 0.592) 3.934 36.710 ( -0.000 7.986 -0.862) 8.032 37.187 ( -0.000 2.454 11.070) 11.339 37.254 ( -0.000 3.827 -1.160) 3.999 39.262 ( -0.000 25.085 -17.987) 30.868 ======================= Grid point 374 (136/189) ======================= q-point: ( 0.58 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 5.675 -20.096 -0.095) 20.882 2.248 ( 8.900 3.220 2.106) 9.696 2.758 ( -0.541 -0.716 8.526) 8.573 3.163 ( 8.412 2.216 -1.245) 8.788 4.236 ( -3.011 -11.754 -6.426) 13.730 4.613 ( -6.068 16.309 1.194) 17.442 5.146 ( -1.412 -11.668 2.416) 11.999 5.617 ( -11.772 -3.922 0.855) 12.437 6.766 ( 9.356 1.148 4.282) 10.353 7.130 ( -0.093 3.752 5.147) 6.370 7.556 ( 4.596 10.279 -4.649) 12.182 7.924 ( -1.635 12.002 -4.154) 12.806 10.048 ( 1.739 -4.972 2.671) 5.906 10.133 ( 5.230 -7.486 2.615) 9.499 10.409 ( 4.433 -4.758 1.547) 6.685 11.172 ( -4.418 4.029 -3.688) 7.026 11.991 ( -3.593 -9.330 -1.612) 10.127 12.370 ( -12.780 -3.855 2.493) 13.580 17.361 ( 8.843 -7.826 -0.803) 11.836 17.900 ( -3.412 -3.606 -1.461) 5.175 18.307 ( 0.459 -3.778 5.118) 6.378 18.920 ( -4.062 14.439 -5.197) 15.875 21.038 ( -1.393 -6.244 2.392) 6.830 21.057 ( -1.246 -8.728 -0.448) 8.828 27.494 ( 1.743 1.335 -1.554) 2.690 27.623 ( -0.372 3.458 0.103) 3.480 36.811 ( 3.527 6.161 -0.778) 7.142 37.088 ( -7.543 2.961 3.458) 8.810 37.573 ( 21.012 -0.243 7.894) 22.447 39.328 ( -8.901 20.781 -14.312) 26.756 ======================= Grid point 375 (137/189) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 9.699 -12.266 4.589) 16.297 2.334 ( -4.770 3.636 -2.186) 6.384 2.912 ( 12.455 -3.474 14.394) 19.349 3.374 ( 13.818 5.145 -4.965) 15.559 4.043 ( -2.373 -10.356 -4.121) 11.395 4.597 ( -11.203 12.343 -3.134) 16.962 5.017 ( -2.271 -9.846 2.055) 10.311 5.326 ( -15.407 -5.084 -1.041) 16.257 6.938 ( 8.614 -2.318 2.108) 9.166 7.163 ( -1.605 1.641 2.186) 3.170 7.736 ( 7.393 7.403 -1.626) 10.588 7.973 ( -2.239 9.215 -3.368) 10.063 10.086 ( 6.635 -3.550 1.350) 7.645 10.184 ( 3.830 0.144 2.420) 4.533 10.512 ( 10.688 -5.135 3.651) 12.407 11.090 ( -7.354 3.842 -3.163) 8.880 11.807 ( -6.616 -8.524 -1.278) 10.866 12.060 ( -18.329 -4.244 0.399) 18.818 17.464 ( 9.265 -5.741 0.438) 10.909 17.778 ( -6.100 -2.383 -1.650) 6.754 18.357 ( 6.472 -2.277 5.246) 8.637 18.911 ( -8.295 11.140 -4.996) 14.761 20.962 ( -1.179 -5.131 -0.199) 5.269 20.971 ( -1.732 -4.157 0.835) 4.581 27.543 ( 2.877 1.100 -0.211) 3.088 27.645 ( -0.556 2.869 -0.483) 2.963 36.927 ( 4.516 3.632 -0.537) 5.820 37.047 ( -2.728 3.064 1.942) 4.538 37.996 ( 25.497 -4.531 8.348) 27.208 39.226 ( -16.942 17.027 -10.064) 26.043 ======================= Grid point 376 (138/189) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 11.194 -5.537 4.703) 13.345 2.209 ( -10.562 5.078 -4.109) 12.419 3.136 ( 12.375 -9.241 12.094) 19.616 3.520 ( -6.696 7.926 -9.988) 14.402 4.053 ( 18.742 -8.048 2.017) 20.496 4.469 ( -13.235 9.151 -3.099) 16.386 4.908 ( -2.193 -6.302 1.637) 6.871 5.027 ( -12.603 -3.822 -1.505) 13.256 7.037 ( 5.840 -3.105 -0.021) 6.614 7.134 ( -3.445 0.551 0.540) 3.530 7.905 ( 6.677 2.458 -0.936) 7.177 7.998 ( -2.411 5.706 -0.563) 6.221 10.217 ( 8.740 1.539 1.101) 8.943 10.291 ( 3.116 6.110 1.500) 7.021 10.679 ( 12.550 -6.345 3.456) 14.481 10.970 ( -9.441 4.375 -2.915) 10.806 11.607 ( -5.618 -8.070 -0.811) 9.867 11.713 ( -15.632 -4.847 -0.672) 16.380 17.526 ( 4.087 -5.030 -0.082) 6.481 17.642 ( -6.832 -0.637 -0.901) 6.921 18.534 ( 12.693 -2.106 4.084) 13.499 18.827 ( -9.812 8.850 -3.263) 13.611 20.909 ( -0.817 -2.223 -0.143) 2.373 20.914 ( -1.437 -2.193 0.071) 2.623 27.602 ( 2.944 0.278 0.562) 3.010 27.654 ( -0.944 2.150 -0.653) 2.438 37.023 ( 3.852 1.575 -0.472) 4.188 37.060 ( -0.570 2.771 1.286) 3.108 38.416 ( 26.519 -8.626 4.856) 28.307 39.006 ( -21.770 14.893 -4.740) 26.799 ======================= Grid point 377 (139/189) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 5.973 2.756 -9.501) 11.556 2.105 ( -0.600 6.551 9.501) 11.556 3.304 ( -17.870 6.585 -5.723) 19.886 3.304 ( 14.638 -12.183 5.723) 19.886 4.319 ( 12.808 -6.976 -2.730) 14.838 4.319 ( -12.446 7.604 2.730) 14.838 4.843 ( -2.810 -2.323 -4.738) 5.978 4.843 ( -0.607 -3.595 4.738) 5.978 7.087 ( 3.252 -1.698 -1.045) 3.815 7.087 ( -3.097 1.967 1.045) 3.815 7.985 ( 3.565 -2.731 -1.798) 4.838 7.985 ( -4.148 1.722 1.798) 4.838 10.397 ( 2.627 6.865 -1.720) 7.549 10.397 ( 4.631 5.708 1.720) 7.549 10.826 ( -1.871 -0.358 -3.175) 3.702 10.826 ( 0.625 -1.799 3.175) 3.702 11.484 ( -3.082 -3.556 -0.690) 4.756 11.484 ( -1.539 -4.447 0.690) 4.756 17.535 ( -2.456 -0.825 -0.970) 2.767 17.535 ( 0.513 -2.540 0.970) 2.767 18.735 ( -7.960 7.303 -0.958) 10.845 18.735 ( 10.305 -3.243 0.958) 10.845 20.884 ( -0.592 -0.616 -0.062) 0.856 20.884 ( -0.237 -0.820 0.062) 0.856 27.646 ( -1.249 1.058 -0.379) 1.680 27.646 ( 1.541 -0.552 0.379) 1.680 37.080 ( 1.985 0.291 -1.227) 2.352 37.080 ( -0.740 1.865 1.227) 2.352 38.759 ( 24.143 -12.045 -1.873) 27.045 38.759 ( -22.502 14.886 1.873) 27.045 ======================= Grid point 387 (140/189) ======================= q-point: ( 0.58 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -0.000 -12.031 11.222) 16.452 2.193 ( -0.000 3.038 4.610) 5.521 2.794 ( -0.000 -3.877 7.000) 8.002 3.089 ( 0.000 -0.080 -0.533) 0.539 4.125 ( 0.000 -8.336 -7.353) 11.116 4.774 ( 0.000 8.472 -8.095) 11.718 5.083 ( -0.000 -6.489 4.754) 8.044 5.690 ( 0.000 -4.575 -2.248) 5.098 6.717 ( -0.000 0.176 6.410) 6.412 7.179 ( -0.000 0.974 3.913) 4.033 7.586 ( -0.000 9.227 -4.485) 10.259 8.022 ( -0.000 9.292 -4.475) 10.313 9.976 ( 0.000 -9.119 5.179) 10.487 10.071 ( -0.000 0.706 2.876) 2.962 10.328 ( 0.000 -4.612 1.895) 4.986 11.220 ( 0.000 1.728 -3.182) 3.621 11.954 ( 0.000 -4.550 -1.440) 4.773 12.452 ( 0.000 -4.281 -0.318) 4.293 17.216 ( 0.000 -4.103 0.256) 4.111 17.891 ( 0.000 -2.708 -1.298) 3.003 18.286 ( -0.000 -4.437 4.726) 6.483 19.070 ( -0.000 12.687 -4.836) 13.577 20.983 ( 0.000 -7.004 -0.654) 7.035 21.003 ( 0.000 -5.151 1.353) 5.325 27.487 ( -0.000 1.972 -1.245) 2.332 27.654 ( -0.000 2.100 0.015) 2.100 36.838 ( -0.000 5.727 -0.709) 5.771 37.294 ( 0.000 1.683 -1.889) 2.530 37.322 ( -0.000 -2.857 14.612) 14.889 39.535 ( -0.000 18.693 -11.396) 21.893 ======================= Grid point 388 (141/189) ======================= q-point: (-0.33 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 2.397 -2.883 16.987) 17.396 2.351 ( 7.101 3.304 5.394) 9.510 2.790 ( 3.017 -5.137 8.358) 10.264 3.162 ( 9.821 -0.187 -1.503) 9.937 4.001 ( -3.274 -3.383 -7.494) 8.850 4.723 ( -2.494 -1.719 -10.437) 10.868 5.048 ( -4.156 0.595 3.137) 5.241 5.515 ( -11.220 -4.778 -4.011) 12.837 6.800 ( 6.020 -2.571 4.829) 8.134 7.190 ( -0.221 -1.585 2.096) 2.638 7.687 ( 4.489 6.411 -2.810) 8.315 8.062 ( -1.281 6.286 -4.294) 7.720 9.971 ( 4.118 -3.913 5.680) 8.034 10.142 ( 3.838 2.062 4.715) 6.420 10.348 ( 5.062 -2.626 2.585) 6.261 11.182 ( -3.207 0.256 -3.347) 4.643 11.863 ( -5.778 -2.663 -1.540) 6.546 12.286 ( -12.308 -4.748 -2.774) 13.480 17.272 ( 7.606 -1.121 1.298) 7.797 17.835 ( -3.336 -1.092 -1.767) 3.930 18.285 ( 2.147 -3.544 5.018) 6.507 19.107 ( -5.029 8.746 -4.534) 11.061 20.925 ( -0.204 -3.435 -0.511) 3.478 20.956 ( -0.712 -3.868 0.305) 3.945 27.517 ( 1.495 1.988 -0.238) 2.498 27.667 ( 0.024 0.995 -0.448) 1.092 36.904 ( 2.243 3.808 -0.494) 4.447 37.158 ( -6.622 0.225 3.761) 7.619 37.604 ( 19.170 -5.366 8.400) 21.607 39.574 ( -9.495 16.249 -8.027) 20.460 ======================= Grid point 389 (142/189) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 4.248 0.190 10.289) 11.133 2.410 ( -6.168 5.684 1.779) 8.575 2.889 ( 9.839 -12.917 9.962) 19.050 3.448 ( 19.749 6.244 -1.382) 20.759 3.867 ( -5.416 -0.762 -6.037) 8.146 4.590 ( -3.306 -5.042 -5.607) 8.233 4.977 ( -5.999 1.796 -0.532) 6.285 5.235 ( -13.914 -2.056 -3.646) 14.529 6.893 ( 6.742 -3.977 1.241) 7.925 7.164 ( -0.988 -2.823 0.888) 3.120 7.810 ( 5.690 1.917 -1.597) 6.213 8.069 ( -1.247 3.436 -2.253) 4.294 10.096 ( 8.395 1.060 5.090) 9.875 10.280 ( 5.539 3.496 5.528) 8.571 10.460 ( 8.256 -1.944 2.714) 8.906 11.095 ( -4.833 0.286 -3.266) 5.840 11.701 ( -9.508 -0.456 -1.817) 9.691 11.954 ( -17.577 -4.789 -3.921) 18.635 17.398 ( 6.153 -0.842 0.225) 6.214 17.742 ( -5.675 0.402 -2.197) 6.099 18.365 ( 7.443 -1.998 5.349) 9.381 19.042 ( -7.777 5.633 -2.895) 10.030 20.902 ( -0.372 -0.453 -0.342) 0.678 20.909 ( -0.789 -2.361 -0.522) 2.543 27.565 ( 2.070 0.745 0.563) 2.271 27.673 ( 0.156 0.686 -0.613) 0.933 36.976 ( 3.134 1.471 -0.135) 3.465 37.111 ( -2.059 0.771 2.995) 3.715 37.929 ( 22.552 -9.413 5.537) 25.057 39.465 ( -16.756 14.627 -3.606) 22.533 ======================= Grid point 400 (143/189) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -0.000 7.241 28.420) 29.328 2.316 ( -0.000 1.144 8.152) 8.232 2.759 ( -0.000 -4.691 4.481) 6.487 3.058 ( 0.000 -0.999 -1.360) 1.688 3.993 ( 0.000 3.790 -7.832) 8.701 4.639 ( 0.000 -6.530 -9.408) 11.452 5.107 ( 0.000 1.114 -1.780) 2.100 5.519 ( 0.000 -6.471 -9.175) 11.228 6.749 ( -0.000 -4.067 6.617) 7.767 7.169 ( 0.000 -4.412 1.821) 4.773 7.689 ( -0.000 4.770 -2.584) 5.425 8.092 ( 0.000 2.588 -4.806) 5.459 9.936 ( -0.000 -2.723 7.855) 8.313 10.165 ( -0.000 3.552 6.093) 7.053 10.322 ( -0.000 2.259 3.541) 4.200 11.182 ( 0.000 -1.261 -4.099) 4.288 11.897 ( 0.000 0.104 -1.563) 1.566 12.318 ( 0.000 -6.093 -5.908) 8.487 17.235 ( -0.000 3.951 3.707) 5.418 17.851 ( 0.000 0.946 -2.963) 3.111 18.258 ( -0.000 -3.483 5.240) 6.293 19.187 ( 0.000 3.701 -4.645) 5.939 20.907 ( 0.000 0.155 -0.348) 0.381 20.925 ( 0.000 -3.435 -0.596) 3.487 27.529 ( -0.000 2.671 0.355) 2.695 27.662 ( 0.000 -0.900 -0.859) 1.244 36.916 ( -0.000 2.743 -0.622) 2.813 37.281 ( 0.000 -0.369 -2.819) 2.843 37.371 ( -0.000 -8.420 16.058) 18.132 39.772 ( -0.000 14.703 -5.820) 15.813 ======================= Grid point 401 (144/189) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -8.680 5.100 18.001) 20.625 2.481 ( 8.275 -0.043 9.934) 12.929 2.725 ( -1.353 -6.191 4.359) 7.692 3.177 ( 14.395 2.889 1.485) 14.756 3.982 ( -4.759 9.929 -7.588) 13.372 4.522 ( -0.413 -7.561 -4.971) 9.058 5.050 ( -3.259 -1.625 -5.592) 6.673 5.343 ( -6.259 -5.263 -10.229) 13.096 6.764 ( 3.872 -5.993 3.985) 8.172 7.132 ( 0.255 -5.382 1.905) 5.715 7.743 ( 3.145 1.884 -1.486) 3.956 8.077 ( 0.239 -0.509 -3.875) 3.915 10.003 ( 5.594 -1.803 6.806) 8.993 10.258 ( 3.038 1.963 7.390) 8.228 10.416 ( 2.706 6.788 4.433) 8.547 11.131 ( -2.106 0.125 -4.295) 4.785 11.849 ( -6.207 3.336 -1.545) 7.214 12.120 ( -10.729 -6.610 -7.639) 14.736 17.346 ( 3.177 5.715 3.726) 7.526 17.819 ( -3.534 2.571 -4.214) 6.071 18.285 ( 3.460 -2.031 6.054) 7.263 19.147 ( -3.265 -0.371 -3.689) 4.940 20.885 ( -0.258 -2.928 -1.378) 3.246 20.922 ( -0.339 3.371 -0.290) 3.400 27.559 ( 0.183 1.439 0.812) 1.662 27.654 ( 1.313 -1.131 -0.926) 1.965 36.945 ( 1.578 0.688 -0.343) 1.755 37.178 ( -4.345 -1.731 3.234) 5.686 37.540 ( 15.550 -9.733 8.190) 20.090 39.809 ( -8.878 13.465 -2.725) 16.357 ======================= Grid point 413 (145/189) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -0.000 -0.162 19.588) 19.588 2.322 ( 0.000 -8.453 3.742) 9.244 2.796 ( -0.000 5.127 8.745) 10.137 3.080 ( -0.000 3.716 1.931) 4.188 4.121 ( -0.000 16.641 -6.442) 17.844 4.417 ( 0.000 -9.597 -2.474) 9.911 4.990 ( 0.000 -6.302 -10.973) 12.654 5.264 ( 0.000 -6.347 -13.657) 15.060 6.680 ( 0.000 -9.250 4.607) 10.334 7.090 ( -0.000 -5.261 3.821) 6.503 7.727 ( -0.000 1.328 -0.886) 1.597 8.021 ( 0.000 -4.778 -4.493) 6.559 9.957 ( -0.000 -4.426 5.980) 7.439 10.283 ( -0.000 -1.137 8.223) 8.301 10.520 ( -0.000 12.363 5.931) 13.712 11.142 ( 0.000 4.070 -4.723) 6.235 11.951 ( -0.000 7.820 -0.506) 7.836 12.090 ( 0.000 -7.934 -10.688) 13.311 17.434 ( -0.000 10.233 6.287) 12.010 17.862 ( 0.000 4.663 -5.787) 7.432 18.268 ( -0.000 -1.605 6.355) 6.554 19.119 ( 0.000 -5.561 -3.889) 6.785 20.847 ( 0.000 -3.026 -2.251) 3.771 20.974 ( -0.000 6.275 -0.301) 6.282 27.591 ( -0.000 2.342 1.435) 2.747 27.605 ( 0.000 -3.253 -1.600) 3.626 36.930 ( 0.000 -0.849 -0.567) 1.021 37.227 ( 0.000 -1.637 -3.416) 3.788 37.335 ( -0.000 -11.923 16.075) 20.014 40.000 ( -0.000 12.384 -1.353) 12.457 ======================= Grid point 480 (146/189) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -0.000 -0.000 28.379) 28.379 1.449 ( -0.000 -0.000 28.379) 28.379 2.321 ( -0.000 -0.000 45.967) 45.967 3.075 ( 0.000 0.000 -3.045) 3.045 3.075 ( 0.000 0.000 -3.045) 3.045 5.343 ( 0.000 0.000 -15.951) 15.951 5.377 ( -0.000 -0.000 9.533) 9.533 5.377 ( -0.000 -0.000 9.533) 9.533 6.483 ( 0.000 0.000 -8.144) 8.144 6.483 ( 0.000 0.000 -8.144) 8.144 6.486 ( -0.000 -0.000 14.246) 14.246 7.782 ( 0.000 0.000 -8.735) 8.735 9.462 ( -0.000 -0.000 18.679) 18.679 9.462 ( -0.000 -0.000 18.679) 18.679 11.480 ( 0.000 0.000 -14.880) 14.880 11.480 ( 0.000 0.000 -14.880) 14.880 12.584 ( -0.000 -0.000 6.952) 6.952 13.667 ( 0.000 0.000 -10.592) 10.592 18.064 ( -0.000 -0.000 2.975) 2.975 18.064 ( -0.000 -0.000 2.975) 2.975 18.399 ( 0.000 0.000 -2.644) 2.644 18.399 ( 0.000 0.000 -2.644) 2.644 21.676 ( -0.000 -0.000 7.020) 7.020 22.483 ( 0.000 0.000 -6.431) 6.431 27.415 ( -0.000 -0.000 1.158) 1.158 27.534 ( 0.000 0.000 -0.868) 0.868 36.296 ( -0.000 -0.000 4.935) 4.935 36.296 ( -0.000 -0.000 4.935) 4.935 36.911 ( 0.000 0.000 -5.259) 5.259 36.911 ( 0.000 0.000 -5.259) 5.259 ======================= Grid point 481 (147/189) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 1.994 1.151 24.320) 24.429 1.705 ( 0.373 0.216 26.210) 26.213 2.816 ( 20.335 11.741 37.611) 44.339 2.908 ( -5.906 -3.410 -5.853) 8.987 3.211 ( 6.901 3.984 -4.791) 9.298 5.124 ( -9.462 -5.463 -10.899) 15.433 5.459 ( 1.017 0.587 14.649) 14.696 5.480 ( 2.720 1.570 5.007) 5.911 6.402 ( -0.476 -0.275 -3.492) 3.535 6.549 ( 9.511 5.491 -9.256) 14.363 6.704 ( 10.795 6.233 8.167) 14.902 7.703 ( -2.594 -1.498 -9.194) 9.669 9.609 ( 5.112 2.951 18.515) 19.433 9.690 ( 8.725 5.037 16.181) 19.061 11.281 ( -7.280 -4.203 -16.038) 18.108 11.426 ( -0.372 -0.215 -14.809) 14.815 12.527 ( -9.045 -5.222 10.007) 14.464 13.487 ( -10.018 -5.784 -9.818) 15.172 17.978 ( -5.118 -2.955 0.790) 5.962 18.206 ( 6.945 4.010 3.209) 8.638 18.280 ( -4.641 -2.680 -3.438) 6.367 18.430 ( 0.069 0.040 -1.898) 1.900 21.664 ( -4.361 -2.518 6.622) 8.319 22.094 ( -25.408 -14.669 4.282) 29.649 27.415 ( -0.578 -0.334 1.000) 1.203 27.517 ( -0.390 -0.225 -1.008) 1.104 36.478 ( 8.885 5.130 6.040) 11.905 36.817 ( -1.064 -0.614 -6.938) 7.046 36.914 ( 44.903 25.925 -18.640) 55.098 37.036 ( 9.936 5.737 -2.269) 11.696 ======================= Grid point 482 (148/189) ======================= q-point: ( 0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 9.807 5.662 16.039) 19.633 1.813 ( 0.048 0.028 18.373) 18.374 2.793 ( -0.218 -0.126 -6.682) 6.686 3.263 ( 3.531 2.039 0.914) 4.178 3.487 ( 17.775 10.263 18.552) 27.667 4.824 ( -12.069 -6.968 -8.175) 16.156 5.527 ( -1.377 -0.795 5.549) 5.773 5.544 ( -1.986 -1.147 19.941) 20.072 6.483 ( 9.451 5.457 -2.985) 11.314 6.767 ( 13.064 7.543 -11.054) 18.702 7.019 ( 12.550 7.246 6.607) 15.927 7.587 ( -2.950 -1.703 -8.890) 9.521 9.871 ( 9.226 5.327 16.667) 19.781 9.955 ( 7.627 4.404 10.430) 13.652 11.017 ( -8.050 -4.648 -14.277) 17.036 11.300 ( -4.393 -2.536 -13.663) 14.575 12.302 ( -14.832 -8.563 13.000) 21.501 13.159 ( -13.986 -8.075 -6.450) 17.390 17.827 ( -8.184 -4.725 -1.702) 9.602 18.211 ( 1.117 0.645 -2.188) 2.540 18.372 ( 0.579 0.334 1.430) 1.578 18.383 ( 1.948 1.125 -1.940) 2.971 21.549 ( -8.043 -4.644 4.524) 10.331 21.595 ( -20.273 -11.705 9.619) 25.309 27.401 ( -0.871 -0.503 0.529) 1.136 27.522 ( 1.442 0.833 -1.498) 2.240 36.726 ( 9.512 5.492 5.511) 12.289 36.766 ( 0.424 0.245 -6.617) 6.635 37.361 ( 18.158 10.483 4.509) 21.446 37.731 ( 34.991 20.202 -34.440) 53.091 ======================= Grid point 483 (149/189) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 4.243 2.450 5.545) 7.399 2.072 ( 11.092 6.404 5.744) 14.037 2.855 ( 7.815 4.512 -3.927) 9.842 3.284 ( 0.194 0.112 -4.846) 4.851 3.847 ( 4.823 2.784 14.717) 15.736 4.518 ( -11.604 -6.700 -1.966) 13.543 5.464 ( -6.577 -3.797 4.896) 9.036 5.578 ( -3.612 -2.085 17.859) 18.339 6.777 ( 15.575 8.992 1.711) 18.065 6.980 ( 10.333 5.966 -13.048) 17.681 7.316 ( 10.340 5.970 6.099) 13.407 7.486 ( -2.104 -1.214 -7.978) 8.340 10.130 ( 4.303 2.484 4.170) 6.487 10.154 ( 7.664 4.425 10.125) 13.448 10.818 ( -2.876 -1.661 -6.885) 7.644 11.070 ( -10.128 -5.847 -11.400) 16.331 12.052 ( -11.655 -6.729 11.590) 17.761 12.822 ( -13.177 -7.608 -1.914) 15.335 17.604 ( -9.550 -5.514 -2.960) 11.417 18.238 ( -7.275 -4.200 -1.864) 8.605 18.322 ( 8.576 4.952 0.834) 9.938 18.492 ( 3.430 1.980 -1.653) 4.291 21.270 ( -12.873 -7.432 7.857) 16.814 21.364 ( -9.269 -5.352 2.102) 10.908 27.391 ( 0.052 0.030 0.207) 0.215 27.561 ( 2.521 1.456 -1.417) 3.238 36.768 ( 2.515 1.452 -5.620) 6.326 36.948 ( 7.364 4.251 4.816) 9.772 37.888 ( 23.629 13.642 11.321) 29.540 38.123 ( 16.169 9.335 -34.702) 39.405 ======================= Grid point 484 (150/189) ======================= q-point: ( 0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 9.118 5.264 -9.145) 13.945 2.309 ( 9.380 5.416 -4.348) 11.672 3.037 ( 7.033 4.061 -2.103) 8.389 3.226 ( -2.754 -1.590 -7.257) 7.923 3.880 ( -6.650 -3.840 12.356) 14.548 4.334 ( -4.317 -2.492 7.609) 9.096 5.294 ( -9.847 -5.685 4.086) 12.082 5.557 ( -5.673 -3.276 13.414) 14.928 7.080 ( 4.424 2.554 -13.841) 14.754 7.152 ( 14.826 8.560 4.131) 17.611 7.402 ( -1.970 -1.137 -6.809) 7.179 7.565 ( 8.894 5.135 7.678) 12.823 10.198 ( 1.428 0.824 -1.981) 2.577 10.255 ( 0.481 0.278 -3.190) 3.238 10.749 ( -12.180 -7.032 -9.067) 16.734 10.867 ( 5.931 3.424 6.377) 9.358 11.912 ( -5.351 -3.089 7.530) 9.741 12.552 ( -10.562 -6.098 2.297) 12.411 17.396 ( -6.660 -3.845 -3.441) 8.425 18.045 ( -8.370 -4.833 -1.341) 9.758 18.512 ( -0.203 -0.117 -4.295) 4.302 18.581 ( 12.210 7.049 4.336) 14.750 21.067 ( -8.156 -4.709 4.718) 10.534 21.171 ( -7.925 -4.576 0.637) 9.173 27.412 ( 1.716 0.991 0.128) 1.985 27.613 ( 2.240 1.293 -0.668) 2.671 36.814 ( 3.528 2.037 -4.113) 5.789 37.107 ( 4.424 2.554 4.394) 6.739 38.152 ( 2.494 1.440 -30.644) 30.779 38.514 ( 24.521 14.157 15.135) 32.106 ======================= Grid point 485 (151/189) ======================= q-point: ( 0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 11.696 6.753 -23.588) 27.181 2.452 ( 6.335 3.658 -10.494) 12.792 3.063 ( -7.873 -4.546 -9.260) 12.976 3.082 ( -1.603 -0.925 -1.036) 2.121 3.779 ( -5.595 -3.230 13.644) 15.096 4.411 ( 4.343 2.508 12.385) 13.362 5.097 ( -8.500 -4.907 5.425) 11.214 5.464 ( -7.885 -4.552 11.760) 14.872 7.036 ( -1.810 -1.045 -13.062) 13.228 7.318 ( -2.832 -1.635 -5.191) 6.135 7.456 ( 9.834 5.678 3.789) 11.971 7.810 ( 8.326 4.807 8.958) 13.141 10.182 ( -0.655 -0.378 -7.892) 7.928 10.239 ( 1.737 1.003 -6.980) 7.262 10.473 ( -7.302 -4.216 -6.858) 10.869 11.036 ( 3.753 2.167 8.324) 9.385 11.865 ( -1.891 -1.092 4.301) 4.823 12.357 ( -8.645 -4.991 5.419) 11.358 17.285 ( -1.112 -0.642 -4.015) 4.215 17.872 ( -6.014 -3.472 0.659) 6.975 18.449 ( -2.624 -1.515 -5.975) 6.699 18.883 ( 10.840 6.258 6.665) 14.181 20.942 ( -4.337 -2.504 1.970) 5.381 21.019 ( -5.626 -3.248 0.252) 6.502 27.467 ( 2.962 1.710 -0.040) 3.421 27.647 ( 0.734 0.424 0.342) 0.915 36.875 ( 3.086 1.782 -2.537) 4.374 37.197 ( 1.637 0.945 3.980) 4.406 37.960 ( -5.561 -3.211 -25.745) 26.534 39.129 ( 21.966 12.682 14.930) 29.432 ======================= Grid point 486 (152/189) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 7.047 4.068 -32.726) 33.723 2.462 ( -0.987 -0.570 -10.283) 10.346 2.837 ( -5.854 -3.380 -5.298) 8.588 3.042 ( -0.304 -0.176 0.550) 0.653 3.839 ( 5.304 3.062 11.705) 13.211 4.514 ( -1.692 -0.977 6.339) 6.633 5.012 ( -2.739 -1.581 10.242) 10.720 5.346 ( -7.603 -4.390 12.590) 15.349 6.881 ( -5.955 -3.438 -10.154) 12.263 7.214 ( -4.282 -2.472 -3.817) 6.246 7.645 ( 5.240 3.025 3.066) 6.783 7.996 ( 3.463 1.999 7.325) 8.345 10.082 ( -3.264 -1.885 -10.493) 11.149 10.274 ( 4.086 2.359 -7.583) 8.931 10.390 ( 2.771 1.600 -5.075) 6.000 11.101 ( -0.713 -0.411 6.186) 6.241 11.866 ( 0.826 0.477 2.200) 2.398 12.208 ( -7.636 -4.409 8.027) 11.924 17.305 ( 4.734 2.733 -5.056) 7.446 17.800 ( -1.013 -0.585 3.504) 3.694 18.350 ( -2.800 -1.616 -6.434) 7.200 19.099 ( 4.181 2.414 6.539) 8.129 20.901 ( 0.541 0.312 0.381) 0.731 20.914 ( -3.865 -2.231 0.675) 4.514 27.537 ( 3.060 1.767 -0.568) 3.579 27.645 ( -1.259 -0.727 1.194) 1.881 36.920 ( 1.545 0.892 -1.020) 2.055 37.230 ( -0.338 -0.195 3.672) 3.692 37.661 ( -9.422 -5.440 -20.741) 23.422 39.647 ( 17.191 9.925 10.388) 22.404 ======================= Grid point 493 (153/189) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -0.000 2.826 22.413) 22.590 1.975 ( -0.000 13.207 24.170) 27.542 2.885 ( -0.000 2.911 10.087) 10.499 2.993 ( -0.000 9.263 20.550) 22.541 3.113 ( 0.000 0.683 -6.623) 6.658 5.081 ( 0.000 -6.171 -15.435) 16.623 5.499 ( -0.000 0.562 13.274) 13.286 5.534 ( -0.000 2.888 9.717) 10.138 6.383 ( 0.000 1.555 -9.404) 9.532 6.540 ( -0.000 14.207 -9.387) 17.028 6.663 ( -0.000 0.293 14.924) 14.927 7.656 ( 0.000 -2.298 -9.857) 10.121 9.735 ( -0.000 7.105 16.774) 18.216 9.755 ( -0.000 6.345 21.227) 22.155 11.243 ( 0.000 -3.070 -16.895) 17.172 11.299 ( 0.000 -4.335 -16.514) 17.073 12.623 ( -0.000 -3.362 8.960) 9.569 13.415 ( 0.000 -13.462 -10.595) 17.131 18.055 ( -0.000 -1.138 1.009) 1.521 18.143 ( -0.000 0.190 3.561) 3.566 18.256 ( 0.000 -4.954 -3.943) 6.331 18.433 ( 0.000 1.552 -1.411) 2.097 21.702 ( -0.000 -5.272 7.003) 8.765 22.109 ( 0.000 -25.762 1.461) 25.804 27.428 ( -0.000 0.208 1.121) 1.140 27.507 ( 0.000 -1.198 -1.099) 1.626 36.312 ( -0.000 1.199 4.244) 4.410 36.831 ( 0.000 2.000 -5.018) 5.402 36.956 ( 0.000 6.528 -4.746) 8.071 37.037 ( -0.000 54.816 -11.105) 55.929 ======================= Grid point 494 (154/189) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 3.652 7.697 16.755) 18.797 2.100 ( -10.826 11.373 21.655) 26.748 2.783 ( -5.002 -0.877 -9.349) 10.639 3.149 ( 7.422 -3.202 -8.564) 11.776 3.442 ( 14.010 13.548 28.931) 34.883 4.881 ( -7.064 -5.275 -12.670) 15.435 5.555 ( -0.926 -2.289 10.584) 10.868 5.641 ( 1.425 0.087 14.978) 15.045 6.396 ( 4.707 6.010 -7.549) 10.736 6.664 ( 4.143 13.838 -6.172) 15.708 6.888 ( 12.744 4.547 7.474) 15.458 7.567 ( -1.836 -1.377 -9.514) 9.786 9.923 ( 4.087 7.683 16.619) 18.759 9.966 ( 3.725 4.924 17.156) 18.233 11.024 ( -7.593 -4.487 -16.264) 18.502 11.211 ( 1.811 -4.237 -15.779) 16.438 12.532 ( -11.358 -5.320 10.496) 16.354 13.157 ( -5.434 -16.937 -8.604) 19.759 17.970 ( -8.704 1.286 0.169) 8.800 18.088 ( 1.721 -10.656 -2.093) 10.995 18.327 ( 6.383 3.457 0.354) 7.268 18.418 ( -2.156 0.590 -0.982) 2.442 21.628 ( -4.819 -7.640 5.334) 10.490 21.761 ( -11.969 -20.915 5.801) 24.786 27.427 ( -1.209 0.725 0.853) 1.648 27.497 ( 0.926 -0.293 -1.475) 1.766 36.508 ( 15.326 -0.179 3.083) 15.634 36.778 ( -3.852 3.887 -5.363) 7.662 37.169 ( 15.902 8.327 0.715) 17.965 37.586 ( 9.475 49.405 -21.790) 54.822 ======================= Grid point 495 (155/189) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -2.041 4.314 11.161) 12.139 2.184 ( -3.585 17.889 12.353) 22.033 2.708 ( 4.758 -2.728 -6.974) 8.872 3.191 ( 6.513 -2.241 -9.617) 11.829 3.867 ( 7.366 5.979 19.887) 22.034 4.633 ( -9.642 -4.087 -6.917) 12.551 5.522 ( -3.793 -6.290 7.719) 10.655 5.686 ( -2.360 -4.312 13.174) 14.061 6.615 ( 13.202 9.713 -0.947) 16.417 6.858 ( 6.996 11.762 -7.756) 15.730 7.196 ( 13.057 5.745 3.881) 14.783 7.483 ( -2.246 1.334 -8.397) 8.794 10.119 ( 3.000 0.934 9.517) 10.023 10.183 ( 5.013 8.640 14.824) 17.875 10.781 ( -4.511 -6.248 -11.784) 14.080 11.087 ( -3.423 -2.791 -13.902) 14.586 12.282 ( -15.721 -6.871 11.180) 20.478 12.845 ( -6.454 -17.006 -4.932) 18.846 17.769 ( -13.462 -0.226 -0.878) 13.492 18.100 ( 9.718 -7.632 -2.675) 12.643 18.331 ( -3.636 -1.652 1.688) 4.335 18.477 ( 3.381 5.470 -2.153) 6.781 21.421 ( -11.330 -13.247 6.526) 18.613 21.457 ( -7.772 -8.375 2.644) 11.728 27.416 ( -1.488 1.644 0.590) 2.295 27.521 ( 2.505 0.759 -1.635) 3.086 36.748 ( 0.327 3.834 -4.496) 5.918 36.781 ( 13.404 -0.575 1.650) 13.517 37.637 ( 24.320 10.383 8.129) 27.665 38.003 ( 4.774 33.934 -26.425) 43.273 ======================= Grid point 496 (156/189) ======================= q-point: ( 0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -2.802 3.649 1.422) 4.815 2.352 ( -1.581 15.778 -2.373) 16.034 2.823 ( 12.640 -4.580 0.765) 13.466 3.235 ( 3.244 4.294 -9.807) 11.187 4.000 ( -3.680 -2.096 14.497) 15.103 4.437 ( -6.504 -2.574 1.676) 7.193 5.384 ( -7.203 -8.437 4.243) 11.877 5.635 ( -2.781 -7.826 8.740) 12.057 6.914 ( 9.221 4.987 -2.739) 10.835 7.063 ( 9.831 10.333 -3.641) 14.720 7.429 ( -2.373 5.103 -6.500) 8.598 7.480 ( 10.946 5.484 4.231) 12.954 10.178 ( 0.230 -1.130 3.631) 3.809 10.316 ( -4.067 5.568 -1.334) 7.023 10.698 ( 4.348 -7.289 1.367) 8.597 10.918 ( -5.291 1.814 -8.229) 9.950 12.034 ( -10.665 -6.324 8.643) 15.114 12.571 ( -4.543 -15.887 -0.895) 16.548 17.539 ( -12.549 0.955 -1.048) 12.628 18.077 ( -2.463 -8.012 -3.975) 9.276 18.394 ( 9.023 0.391 4.753) 10.206 18.548 ( 2.108 4.999 -3.546) 6.482 21.177 ( -8.605 -8.071 4.797) 12.736 21.252 ( -7.661 -7.168 0.604) 10.509 27.423 ( -0.484 2.790 0.561) 2.887 27.574 ( 3.140 1.115 -1.177) 3.533 36.780 ( 1.567 4.770 -3.949) 6.387 36.992 ( 10.750 -1.922 1.816) 11.070 38.118 ( -1.668 19.565 -22.148) 29.599 38.267 ( 25.143 11.242 10.046) 29.316 ======================= Grid point 497 (157/189) ======================= q-point: ( 0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 1.576 1.579 -11.846) 12.054 2.428 ( 1.396 7.269 -8.798) 11.497 2.965 ( 4.925 1.015 -0.910) 5.111 3.231 ( -5.924 5.821 -8.260) 11.713 3.918 ( -7.743 -5.108 12.667) 15.701 4.428 ( 3.276 0.425 10.287) 10.804 5.181 ( -7.455 -8.469 2.200) 11.495 5.536 ( -2.864 -10.278 6.911) 12.712 6.980 ( 0.231 1.651 -8.579) 8.740 7.258 ( 4.586 -1.067 -2.686) 5.421 7.475 ( 1.829 12.627 -0.480) 12.768 7.747 ( 10.177 5.532 6.805) 13.434 10.149 ( -1.826 -1.191 -3.411) 4.048 10.253 ( -2.866 2.942 -6.423) 7.624 10.565 ( -9.831 -1.114 -5.894) 11.517 10.997 ( 7.154 0.760 6.660) 9.803 11.890 ( -3.640 -6.102 5.012) 8.695 12.368 ( -2.188 -14.803 2.414) 15.157 17.369 ( -8.722 3.429 -1.480) 9.488 17.916 ( -4.698 -6.456 -1.438) 8.112 18.454 ( -1.807 -0.097 -4.162) 4.539 18.750 ( 13.714 4.015 4.757) 15.061 21.010 ( -5.999 -4.615 2.579) 7.997 21.077 ( -5.725 -4.995 -0.122) 7.599 27.461 ( 0.858 3.437 0.431) 3.568 27.628 ( 2.322 0.778 -0.275) 2.464 36.845 ( 2.317 4.456 -2.491) 5.606 37.127 ( 6.840 -2.793 1.215) 7.487 38.027 ( -11.458 12.934 -21.622) 27.678 38.887 ( 26.615 7.070 14.242) 31.004 ======================= Grid point 498 (158/189) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 4.970 -3.693 -21.360) 22.239 2.469 ( 2.896 3.788 -9.571) 10.693 2.938 ( -10.413 4.227 -10.351) 15.279 3.139 ( -4.746 7.068 1.276) 8.609 3.852 ( -0.522 -3.191 11.272) 11.727 4.563 ( 1.382 -0.069 9.699) 9.798 5.044 ( -0.870 -5.123 3.829) 6.455 5.422 ( -2.518 -10.495 7.859) 13.351 6.900 ( -4.701 0.012 -7.900) 9.192 7.229 ( -2.067 -2.346 -2.974) 4.315 7.645 ( 3.040 8.388 2.444) 9.250 7.978 ( 6.454 3.633 6.388) 9.781 10.080 ( -2.575 1.010 -8.058) 8.520 10.235 ( 0.460 4.802 -6.997) 8.498 10.403 ( -5.383 2.709 -4.277) 7.390 11.111 ( 2.356 -1.963 5.773) 6.536 11.830 ( 1.175 -6.091 2.700) 6.765 12.224 ( -0.748 -13.649 5.109) 14.593 17.302 ( -2.810 5.201 -2.504) 6.420 17.809 ( -1.207 -4.133 1.640) 4.607 18.371 ( -3.968 0.459 -5.943) 7.161 19.025 ( 10.501 1.100 5.775) 12.035 20.914 ( -2.321 -1.533 0.848) 2.908 20.957 ( -3.798 -3.032 0.157) 4.863 27.517 ( 1.568 2.955 -0.139) 3.348 27.658 ( 0.379 0.259 0.653) 0.798 36.909 ( 1.488 3.435 -1.033) 3.884 37.187 ( 3.657 -3.652 0.051) 5.168 37.798 ( -15.486 9.014 -16.227) 24.174 39.428 ( 22.470 3.276 10.683) 25.095 ======================= Grid point 506 (159/189) ======================= q-point: ( 0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -0.000 5.910 13.078) 14.351 2.422 ( -0.000 8.312 19.120) 20.849 2.837 ( 0.000 5.241 -11.403) 12.550 2.913 ( 0.000 -10.741 -12.876) 16.767 3.618 ( -0.000 15.845 28.444) 32.559 4.819 ( 0.000 -4.752 -13.628) 14.433 5.613 ( -0.000 -5.503 13.868) 14.920 5.690 ( -0.000 1.639 11.097) 11.218 6.368 ( 0.000 7.351 -8.553) 11.278 6.806 ( -0.000 21.644 -10.586) 24.094 6.827 ( -0.000 0.714 15.384) 15.401 7.527 ( 0.000 0.615 -8.693) 8.715 10.013 ( -0.000 4.070 12.671) 13.309 10.105 ( -0.000 5.497 20.773) 21.488 10.976 ( 0.000 -10.357 -16.234) 19.256 11.050 ( 0.000 1.860 -15.678) 15.788 12.642 ( -0.000 -4.391 8.680) 9.728 12.958 ( 0.000 -21.443 -8.400) 23.029 17.900 ( 0.000 -12.213 -2.950) 12.565 18.145 ( -0.000 -3.397 3.148) 4.632 18.269 ( -0.000 9.175 -3.237) 9.729 18.435 ( -0.000 -0.754 0.591) 0.958 21.608 ( 0.000 -10.284 4.469) 11.214 21.667 ( 0.000 -21.567 4.851) 22.106 27.455 ( -0.000 1.700 0.902) 1.924 27.474 ( 0.000 -0.527 -1.831) 1.905 36.416 ( -0.000 5.091 2.967) 5.893 36.906 ( -0.000 7.803 1.008) 7.868 37.043 ( -0.000 6.893 -3.462) 7.714 37.917 ( -0.000 48.790 -20.073) 52.758 ======================= Grid point 507 (160/189) ======================= q-point: ( 0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 4.328 4.299 9.325) 11.143 2.507 ( -4.438 3.879 15.149) 16.255 2.638 ( -7.207 -2.535 -10.760) 13.196 2.958 ( 9.349 0.855 -11.782) 15.064 3.953 ( 4.495 11.839 20.695) 24.262 4.664 ( -4.475 -4.975 -10.878) 12.772 5.572 ( -3.413 -8.560 10.650) 14.083 5.729 ( -2.738 -3.086 7.355) 8.434 6.512 ( 10.033 10.454 -1.548) 14.573 6.891 ( 0.219 10.005 1.124) 10.070 7.080 ( 10.122 11.287 -0.131) 15.161 7.502 ( -1.271 5.063 -6.984) 8.720 10.124 ( 2.696 -0.352 9.761) 10.133 10.277 ( 3.143 4.650 18.463) 19.297 10.731 ( -5.352 -9.530 -14.287) 17.989 11.018 ( 0.395 2.298 -13.668) 13.865 12.523 ( -12.175 -6.193 8.424) 16.048 12.689 ( -1.877 -20.828 -6.295) 21.840 17.821 ( 6.847 -12.919 -2.493) 14.833 18.007 ( -10.408 0.535 0.536) 10.435 18.372 ( -1.180 1.041 1.599) 2.243 18.454 ( 3.565 5.226 -2.584) 6.833 21.448 ( -5.473 -16.161 4.843) 17.737 21.479 ( -4.278 -11.239 2.273) 12.239 27.465 ( -0.693 1.666 0.244) 1.821 27.481 ( 1.228 1.217 -1.508) 2.294 36.574 ( 9.621 4.064 1.702) 10.582 36.858 ( -7.353 7.300 -1.519) 10.472 37.368 ( 21.523 8.337 5.139) 23.646 38.245 ( -1.812 39.810 -21.108) 45.096 ======================= Grid point 508 (161/189) ======================= q-point: ( 0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -5.186 3.209 6.168) 8.674 2.448 ( 0.794 -10.006 -10.535) 14.551 2.677 ( 5.370 11.501 14.061) 18.943 3.094 ( 9.484 6.408 -11.756) 16.407 4.146 ( -3.086 4.847 14.134) 15.257 4.479 ( -4.510 -6.127 -6.115) 9.761 5.450 ( -6.309 -9.604 8.322) 14.188 5.616 ( -4.467 -9.079 0.387) 10.126 6.830 ( 11.797 9.018 4.102) 15.406 7.002 ( 3.216 6.928 -2.575) 8.060 7.364 ( 11.190 8.881 0.821) 14.310 7.513 ( -2.086 10.177 -6.002) 11.998 10.181 ( 1.112 -2.987 6.891) 7.592 10.449 ( -6.015 2.022 -3.602) 7.297 10.540 ( 8.219 -5.915 7.355) 12.515 10.947 ( -3.490 2.542 -12.014) 12.766 12.249 ( -15.802 -6.923 7.776) 18.923 12.427 ( -2.076 -19.462 -3.764) 19.931 17.759 ( -7.318 -4.122 3.294) 9.022 17.910 ( 4.265 -5.105 -6.313) 9.171 18.359 ( 0.082 0.304 6.009) 6.017 18.542 ( 1.373 5.888 -5.616) 8.252 21.237 ( -6.214 -10.656 3.951) 12.952 21.288 ( -5.891 -9.827 0.243) 11.460 27.477 ( -1.082 3.312 0.914) 3.602 27.520 ( 2.993 1.247 -1.881) 3.748 36.789 ( 9.978 2.003 0.521) 10.191 36.834 ( -1.892 6.602 -2.090) 7.178 37.915 ( 27.497 6.595 11.502) 30.526 38.393 ( -8.232 29.567 -20.209) 36.748 ======================= Grid point 509 (162/189) ======================= q-point: ( 0.67 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( -9.340 3.106 -1.935) 10.032 2.343 ( 3.892 -9.440 -6.215) 11.954 2.979 ( 5.489 13.737 8.587) 17.104 3.251 ( 5.225 7.876 -11.240) 14.686 4.103 ( -10.554 0.165 9.888) 14.463 4.380 ( 3.264 -6.118 1.625) 7.122 5.251 ( -9.706 -8.875 4.247) 13.821 5.450 ( -0.742 -13.899 -0.966) 13.953 7.003 ( -1.054 5.710 -0.795) 5.861 7.135 ( 7.759 0.252 -1.651) 7.937 7.585 ( -0.182 13.819 -3.220) 14.190 7.649 ( 11.415 7.392 3.620) 14.073 10.179 ( -2.052 -1.226 2.036) 3.140 10.283 ( -3.459 -2.032 -7.186) 8.230 10.699 ( -3.389 3.932 3.404) 6.208 10.886 ( 5.364 -0.845 -2.259) 5.882 11.970 ( -11.500 -7.676 5.213) 14.776 12.208 ( 0.150 -18.920 -0.953) 18.945 17.595 ( -11.658 2.767 2.594) 12.259 17.863 ( 1.084 -8.647 -4.610) 9.859 18.468 ( 2.148 3.388 3.051) 5.040 18.589 ( 6.837 2.447 -2.507) 7.683 21.069 ( -5.465 -6.500 2.490) 8.850 21.108 ( -4.927 -6.962 -0.604) 8.551 27.504 ( -0.703 4.270 0.816) 4.404 27.581 ( 3.550 0.928 -1.040) 3.814 36.865 ( 0.092 6.333 -1.362) 6.479 36.970 ( 8.581 -0.147 -0.626) 8.605 38.334 ( -13.929 21.201 -15.442) 29.698 38.527 ( 27.959 2.868 11.763) 30.468 ======================= Grid point 510 (163/189) ======================= q-point: ( 0.75 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( -8.600 1.570 -9.988) 13.273 2.336 ( 6.797 -6.452 -2.418) 9.679 3.134 ( -8.579 12.304 -12.534) 19.547 3.290 ( 0.134 8.192 4.731) 9.461 3.951 ( -9.879 -1.821 7.151) 12.331 4.507 ( 10.786 -2.634 7.564) 13.435 5.032 ( -5.954 -7.611 0.810) 9.697 5.312 ( 1.675 -15.288 0.987) 15.411 6.977 ( -5.227 3.610 -2.854) 6.964 7.195 ( 2.129 -2.223 -1.940) 3.638 7.718 ( 1.015 10.974 0.505) 11.033 7.913 ( 9.056 4.853 4.184) 11.094 10.123 ( -3.640 3.111 -3.344) 5.841 10.241 ( 0.550 2.815 -4.766) 5.562 10.577 ( -11.351 6.267 -4.323) 13.668 11.027 ( 7.901 -3.595 4.813) 9.926 11.776 ( -3.721 -9.317 2.789) 10.413 12.051 ( 2.861 -18.465 1.575) 18.751 17.460 ( -9.082 4.743 0.824) 10.279 17.772 ( -0.099 -6.861 -0.576) 6.886 18.441 ( -5.364 4.395 -5.280) 8.716 18.833 ( 14.705 -0.627 4.700) 15.450 20.951 ( -3.702 -3.186 1.096) 5.006 20.982 ( -3.221 -4.101 -0.417) 5.232 27.540 ( -0.236 3.850 0.109) 3.859 27.640 ( 2.476 0.579 0.152) 2.547 36.928 ( 0.764 5.244 -0.588) 5.332 37.076 ( 5.271 -1.169 -1.543) 5.616 38.154 ( -18.891 16.749 -12.054) 27.977 39.065 ( 26.457 -2.459 10.471) 28.560 ======================= Grid point 519 (164/189) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( -0.000 1.105 4.621) 4.751 2.409 ( 0.000 -20.106 -10.686) 22.770 2.753 ( -0.000 3.732 11.440) 12.034 2.904 ( -0.000 10.255 -6.672) 12.234 4.157 ( -0.000 15.065 15.412) 21.552 4.582 ( 0.000 -7.103 -11.242) 13.298 5.534 ( 0.000 -12.450 6.089) 13.859 5.800 ( -0.000 -1.147 7.204) 7.295 6.503 ( -0.000 9.442 0.966) 9.491 7.012 ( -0.000 2.855 12.514) 12.836 7.098 ( -0.000 18.524 -11.188) 21.641 7.559 ( -0.000 10.155 -4.718) 11.197 10.128 ( -0.000 -2.533 6.955) 7.402 10.347 ( -0.000 -2.932 16.482) 16.741 10.598 ( 0.000 -10.673 -11.932) 16.008 11.014 ( 0.000 8.109 -10.634) 13.373 12.456 ( 0.000 -20.219 -5.949) 21.076 12.625 ( -0.000 -5.325 6.275) 8.230 17.606 ( 0.000 -13.365 -2.783) 13.651 18.082 ( 0.000 -5.660 2.365) 6.134 18.420 ( -0.000 -2.424 2.555) 3.522 18.474 ( -0.000 15.012 -4.594) 15.700 21.359 ( 0.000 -14.649 3.792) 15.132 21.404 ( 0.000 -12.574 0.912) 12.607 27.449 ( 0.000 0.280 -2.262) 2.279 27.516 ( -0.000 3.467 0.748) 3.547 36.562 ( -0.000 6.851 1.989) 7.134 37.136 ( -0.000 8.606 9.835) 13.069 37.144 ( -0.000 6.342 -2.714) 6.898 38.546 ( -0.000 36.743 -19.351) 41.527 ======================= Grid point 520 (165/189) ======================= q-point: ( 0.58 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 3.305 -18.725 -7.736) 20.528 2.211 ( 7.721 1.762 4.162) 8.946 2.787 ( -2.463 2.439 9.394) 10.013 3.032 ( 4.720 10.474 -3.429) 11.990 4.336 ( -2.693 10.347 6.722) 12.629 4.424 ( -2.548 -7.931 -8.217) 11.701 5.418 ( -1.125 -13.594 3.586) 14.104 5.705 ( -10.311 -4.083 2.141) 11.295 6.717 ( 11.215 6.850 4.931) 14.036 7.073 ( -1.907 5.942 4.395) 7.633 7.296 ( 7.935 12.307 -3.576) 15.074 7.637 ( -1.780 13.290 -4.750) 14.225 10.146 ( 2.050 -4.405 5.701) 7.490 10.360 ( 2.226 -12.085 -1.566) 12.387 10.498 ( 2.219 -1.888 5.922) 6.600 11.015 ( -3.993 8.135 -8.617) 12.505 12.235 ( -1.306 -16.723 -4.235) 17.301 12.487 ( -12.271 -6.023 4.504) 14.392 17.550 ( 8.947 -11.647 -1.503) 14.763 17.980 ( -6.204 -3.988 1.116) 7.459 18.396 ( -1.032 -2.164 4.295) 4.919 18.598 ( -0.785 13.712 -5.653) 14.852 21.222 ( -2.739 -11.015 2.915) 11.718 21.257 ( -2.848 -11.515 -0.532) 11.874 27.462 ( 2.179 0.812 -1.830) 2.959 27.547 ( -0.912 4.013 0.507) 4.146 36.691 ( 5.577 5.778 1.321) 8.139 37.003 ( -9.434 6.835 1.135) 11.705 37.583 ( 23.503 4.722 10.236) 26.066 38.730 ( -6.475 30.730 -17.760) 36.079 ======================= Grid point 521 (166/189) ======================= q-point: ( 0.67 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 7.267 -14.476 -1.830) 16.301 2.276 ( -6.561 1.905 2.047) 7.132 2.969 ( 13.555 4.326 11.135) 18.068 3.200 ( 4.740 11.111 -6.118) 13.540 4.239 ( 0.442 -10.765 -6.914) 12.801 4.366 ( -9.839 7.814 3.462) 13.033 5.275 ( -1.078 -14.142 2.166) 14.347 5.439 ( -13.896 -6.491 -0.848) 15.361 6.972 ( 9.963 0.897 2.866) 10.406 7.111 ( -2.434 5.215 1.720) 6.007 7.555 ( 10.405 9.536 0.385) 14.118 7.716 ( -1.373 13.900 -4.597) 14.704 10.169 ( 2.506 -4.111 4.321) 6.469 10.250 ( -0.884 -5.548 -3.793) 6.779 10.637 ( 10.622 -4.004 8.137) 13.967 10.947 ( -8.028 7.577 -7.044) 13.095 12.033 ( -1.981 -15.137 -2.745) 15.511 12.179 ( -17.079 -6.864 2.755) 18.612 17.620 ( 9.857 -9.484 0.129) 13.679 17.823 ( -8.546 -1.976 -0.474) 8.785 18.426 ( 4.610 -1.302 6.065) 7.729 18.640 ( -5.049 11.558 -6.492) 14.185 21.089 ( -3.510 -7.452 1.854) 8.443 21.098 ( -3.212 -8.412 -1.087) 9.069 27.517 ( 3.671 1.141 -0.720) 3.911 27.572 ( -1.103 4.159 0.079) 4.304 36.851 ( 6.707 3.621 0.400) 7.633 36.960 ( -4.014 6.368 0.496) 7.544 38.108 ( 27.420 -0.464 12.759) 30.247 38.742 ( -13.802 24.796 -15.037) 32.116 ======================= Grid point 522 (167/189) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( -11.052 1.592 -2.997) 11.562 2.110 ( 6.905 -8.775 2.997) 11.562 3.293 ( -2.602 9.699 -13.596) 16.903 3.293 ( 9.701 2.597 13.596) 16.903 4.232 ( 2.711 -2.035 -2.572) 4.256 4.232 ( -3.118 1.330 2.572) 4.256 5.134 ( -4.790 -11.367 -5.679) 13.579 5.134 ( -7.449 -9.831 5.679) 13.579 7.097 ( 2.675 -0.727 -1.110) 2.986 7.097 ( -1.968 1.953 1.110) 2.986 7.818 ( 0.336 11.383 -1.772) 11.525 7.818 ( 9.690 5.982 1.772) 11.525 10.204 ( 1.926 0.533 -2.092) 2.893 10.204 ( -0.502 1.935 2.092) 2.893 10.825 ( -7.240 5.475 -6.351) 11.078 10.825 ( 8.362 -3.532 6.351) 11.078 11.846 ( -1.228 -15.242 -1.744) 15.390 11.846 ( -12.586 -8.684 1.744) 15.390 17.657 ( -0.516 -5.090 -5.481) 7.497 17.657 ( -4.149 -2.992 5.481) 7.497 18.600 ( -4.861 8.483 -6.945) 11.993 18.600 ( 9.777 0.032 6.945) 11.993 20.980 ( -2.171 -4.955 -0.928) 5.489 20.980 ( -3.206 -4.358 0.928) 5.489 27.592 ( 1.475 2.231 -1.317) 2.982 27.592 ( 1.195 2.393 1.317) 2.982 36.982 ( 4.375 2.423 -0.826) 5.069 36.982 ( -0.089 5.000 0.826) 5.069 38.611 ( -18.229 20.071 -10.996) 29.259 38.611 ( 26.497 -5.751 10.996) 29.259 ======================= Grid point 533 (168/189) ======================= q-point: ( 0.58 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 0.000 -16.175 -2.004) 16.299 2.156 ( -0.000 2.524 3.897) 4.643 2.901 ( -0.000 -1.532 11.087) 11.192 3.036 ( -0.000 6.038 -1.582) 6.242 4.286 ( 0.000 -10.904 -10.601) 15.208 4.512 ( -0.000 12.308 -0.533) 12.320 5.310 ( 0.000 -12.898 2.346) 13.109 5.777 ( 0.000 -4.731 -0.431) 4.751 6.707 ( -0.000 5.257 8.044) 9.610 7.174 ( -0.000 2.086 7.894) 8.165 7.322 ( -0.000 14.585 -7.074) 16.210 7.763 ( -0.000 13.394 -4.935) 14.274 10.113 ( -0.000 -3.194 4.154) 5.240 10.212 ( 0.000 -11.967 0.216) 11.969 10.461 ( -0.000 -6.245 6.240) 8.828 11.098 ( 0.000 8.094 -6.713) 10.516 12.091 ( 0.000 -11.056 -3.866) 11.712 12.558 ( 0.000 -6.040 2.102) 6.395 17.352 ( 0.000 -9.671 -0.716) 9.698 17.982 ( 0.000 -6.222 1.445) 6.388 18.393 ( -0.000 -3.614 3.867) 5.293 18.741 ( -0.000 16.664 -5.402) 17.518 21.155 ( 0.000 -9.437 2.014) 9.650 21.161 ( 0.000 -11.140 -1.300) 11.216 27.443 ( 0.000 1.450 -1.836) 2.339 27.596 ( -0.000 3.622 0.472) 3.653 36.717 ( -0.000 6.573 1.611) 6.767 37.224 ( -0.000 4.337 -2.684) 5.100 37.405 ( -0.000 3.444 16.914) 17.262 38.995 ( -0.000 28.332 -16.132) 32.603 ======================= Grid point 534 (169/189) ======================= q-point: ( 0.67 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 3.898 -9.648 6.700) 12.376 2.311 ( 6.990 3.399 5.876) 9.744 2.895 ( 1.257 -0.156 7.814) 7.916 3.156 ( 6.816 1.809 1.185) 7.151 4.103 ( -1.894 -10.329 -10.426) 14.798 4.567 ( -3.759 8.941 -6.629) 11.748 5.183 ( -2.402 -11.065 1.673) 11.446 5.607 ( -11.145 -5.909 -2.324) 12.827 6.855 ( 6.637 0.826 6.969) 9.660 7.204 ( -1.820 2.048 4.145) 4.969 7.494 ( 7.195 10.894 -2.818) 13.357 7.846 ( -1.435 12.220 -5.701) 13.561 10.098 ( 0.951 -5.562 3.358) 6.566 10.175 ( 3.617 -3.745 3.325) 6.177 10.470 ( 5.731 -7.054 5.591) 10.671 11.098 ( -4.307 6.337 -5.752) 9.581 11.954 ( -3.442 -7.968 -3.178) 9.243 12.388 ( -12.431 -6.497 -0.136) 14.028 17.356 ( 8.967 -6.848 0.224) 11.285 17.896 ( -3.816 -5.061 0.788) 6.387 18.384 ( 1.101 -3.454 4.665) 5.908 18.834 ( -4.350 14.933 -5.630) 16.541 21.042 ( -1.181 -8.482 -1.465) 8.688 21.067 ( -1.467 -7.122 1.165) 7.365 27.473 ( 2.303 1.952 -1.082) 3.207 27.625 ( -0.604 3.046 0.163) 3.109 36.815 ( 3.286 5.178 1.186) 6.246 37.127 ( -8.182 4.130 1.277) 9.254 37.744 ( 20.805 -1.905 14.303) 25.319 39.107 ( -8.275 24.773 -13.952) 29.611 ======================= Grid point 548 (170/189) ======================= q-point: (-0.33 -0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -0.000 1.347 20.140) 20.185 2.299 ( -0.000 4.815 8.622) 9.875 2.919 ( -0.000 -6.980 8.774) 11.212 3.080 ( 0.000 -0.590 -0.423) 0.726 3.979 ( 0.000 -6.950 -11.269) 13.240 4.606 ( 0.000 4.424 -12.130) 12.911 5.135 ( 0.000 -6.324 0.777) 6.371 5.615 ( 0.000 -7.369 -7.302) 10.375 6.850 ( -0.000 -0.930 10.402) 10.444 7.243 ( -0.000 -1.658 4.349) 4.654 7.518 ( -0.000 10.678 -4.143) 11.454 7.934 ( -0.000 9.694 -6.781) 11.830 10.068 ( -0.000 -5.846 6.573) 8.797 10.138 ( -0.000 1.224 5.530) 5.664 10.381 ( -0.000 -6.081 4.718) 7.697 11.149 ( 0.000 3.193 -5.934) 6.739 11.921 ( 0.000 -3.594 -2.846) 4.584 12.424 ( 0.000 -7.171 -3.118) 7.819 17.235 ( -0.000 -2.541 2.257) 3.399 17.878 ( 0.000 -4.589 -0.397) 4.606 18.363 ( -0.000 -4.021 5.086) 6.484 18.984 ( -0.000 13.089 -6.035) 14.414 20.968 ( 0.000 -6.335 -1.338) 6.475 21.017 ( 0.000 -6.092 0.472) 6.110 27.472 ( -0.000 2.830 -0.660) 2.906 27.652 ( -0.000 1.561 -0.224) 1.577 36.844 ( -0.000 4.598 1.279) 4.773 37.253 ( 0.000 1.752 -3.174) 3.626 37.596 ( -0.000 -4.221 20.381) 20.813 39.346 ( -0.000 23.081 -12.813) 26.399 ======================= Grid point 641 (171/189) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -0.000 -0.000 25.674) 25.674 1.875 ( -0.000 -0.000 25.674) 25.674 2.988 ( 0.000 0.000 -8.130) 8.130 2.988 ( 0.000 0.000 -8.130) 8.130 3.015 ( -0.000 -0.000 42.262) 42.262 5.049 ( 0.000 0.000 -21.531) 21.531 5.548 ( -0.000 -0.000 12.068) 12.068 5.548 ( -0.000 -0.000 12.068) 12.068 6.337 ( 0.000 0.000 -10.405) 10.405 6.337 ( 0.000 0.000 -10.405) 10.405 6.724 ( -0.000 -0.000 15.781) 15.781 7.626 ( 0.000 0.000 -11.115) 11.115 9.786 ( -0.000 -0.000 22.308) 22.308 9.786 ( -0.000 -0.000 22.308) 22.308 11.213 ( 0.000 0.000 -18.897) 18.897 11.213 ( 0.000 0.000 -18.897) 18.897 12.713 ( -0.000 -0.000 9.395) 9.395 13.484 ( 0.000 0.000 -12.558) 12.558 18.116 ( -0.000 -0.000 3.568) 3.568 18.116 ( -0.000 -0.000 3.568) 3.568 18.352 ( 0.000 0.000 -3.280) 3.280 18.352 ( 0.000 0.000 -3.280) 3.280 21.799 ( -0.000 -0.000 8.496) 8.496 22.370 ( 0.000 0.000 -7.985) 7.985 27.435 ( -0.000 -0.000 1.344) 1.344 27.518 ( 0.000 0.000 -1.095) 1.095 36.383 ( -0.000 -0.000 6.136) 6.136 36.383 ( -0.000 -0.000 6.136) 6.136 36.819 ( 0.000 0.000 -6.416) 6.416 36.819 ( 0.000 0.000 -6.416) 6.416 ======================= Grid point 642 (172/189) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -1.670 -0.964 22.994) 23.074 2.098 ( -1.280 -0.739 23.734) 23.780 2.780 ( -6.141 -3.546 -10.492) 12.664 3.097 ( 6.443 3.720 -9.679) 12.208 3.395 ( 13.391 7.731 35.730) 38.932 4.877 ( -4.801 -2.772 -19.710) 20.474 5.613 ( 0.311 0.180 10.859) 10.865 5.695 ( 5.012 2.894 15.193) 16.258 6.292 ( 1.634 0.943 -9.263) 9.453 6.385 ( 9.028 5.213 -11.558) 15.565 6.877 ( 6.738 3.890 12.708) 14.900 7.541 ( -2.005 -1.158 -11.278) 11.513 9.924 ( 3.457 1.996 21.330) 21.701 9.984 ( 4.557 2.631 20.811) 21.466 11.005 ( -6.037 -3.486 -18.941) 20.183 11.161 ( 1.131 0.653 -18.830) 18.875 12.687 ( -7.338 -4.236 10.556) 13.535 13.319 ( -7.971 -4.602 -11.455) 14.695 18.004 ( -6.941 -4.007 2.379) 8.360 18.227 ( -4.201 -2.426 -3.288) 5.860 18.258 ( 6.046 3.491 3.341) 7.740 18.392 ( 0.474 0.274 -2.895) 2.947 21.776 ( -5.844 -3.374 7.468) 10.065 22.104 ( -17.273 -9.973 -2.346) 20.083 27.432 ( -0.872 -0.503 1.162) 1.537 27.501 ( -0.532 -0.307 -1.047) 1.214 36.577 ( 8.668 5.005 6.494) 11.931 36.695 ( 7.789 4.497 -7.233) 11.541 36.738 ( 17.833 10.296 -6.506) 21.595 36.996 ( 14.056 8.115 -2.753) 16.462 ======================= Grid point 643 (173/189) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 3.182 1.837 15.491) 15.920 2.109 ( -6.396 -3.693 19.060) 20.441 2.669 ( 2.245 1.296 -8.847) 9.219 3.159 ( 3.620 2.090 -10.514) 11.315 3.863 ( 11.242 6.490 25.224) 28.368 4.655 ( -6.462 -3.731 -13.673) 15.576 5.636 ( -3.349 -1.933 8.052) 8.933 5.826 ( -1.962 -1.133 14.699) 14.873 6.427 ( 13.953 8.056 -2.791) 16.352 6.576 ( 12.295 7.099 -13.018) 19.262 7.132 ( 10.273 5.931 7.604) 14.090 7.436 ( -1.933 -1.116 -10.438) 10.673 10.143 ( 5.680 3.280 17.410) 18.605 10.162 ( 2.137 1.234 15.492) 15.687 10.787 ( -4.055 -2.341 -14.569) 15.303 11.057 ( -2.244 -1.296 -17.213) 17.406 12.492 ( -14.113 -8.148 11.310) 19.837 13.045 ( -10.711 -6.184 -7.942) 14.699 17.817 ( -10.024 -5.787 0.253) 11.577 18.189 ( 2.776 1.603 -0.526) 3.248 18.332 ( -3.321 -1.917 -3.553) 5.227 18.404 ( 4.172 2.409 1.634) 5.087 21.620 ( -10.091 -5.826 4.263) 12.408 21.692 ( -17.508 -10.108 3.210) 20.470 27.412 ( -1.169 -0.675 0.851) 1.596 27.501 ( 1.228 0.709 -1.163) 1.834 36.661 ( 1.039 0.600 -6.705) 6.812 36.814 ( 8.853 5.111 5.553) 11.633 37.308 ( 26.486 15.292 -20.218) 36.662 37.436 ( 23.457 13.543 5.194) 27.579 ======================= Grid point 644 (174/189) ======================= q-point: ( 0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( -5.811 -3.355 9.454) 11.593 2.145 ( 3.610 2.084 2.894) 5.075 2.805 ( 10.657 6.153 -1.661) 12.418 3.153 ( 0.817 0.471 -10.895) 10.935 4.112 ( 0.470 0.271 17.594) 17.603 4.473 ( -4.386 -2.532 -4.484) 6.764 5.533 ( -8.220 -4.746 3.842) 10.239 5.798 ( -4.899 -2.828 9.482) 11.041 6.768 ( 9.979 5.761 -13.318) 17.611 6.820 ( 17.968 10.374 4.542) 21.239 7.352 ( -0.961 -0.555 -9.160) 9.227 7.405 ( 10.607 6.124 5.294) 13.343 10.234 ( -1.442 -0.832 8.757) 8.914 10.262 ( -1.329 -0.767 2.525) 2.955 10.764 ( 6.323 3.651 1.103) 7.384 10.867 ( -7.303 -4.216 -14.318) 16.616 12.217 ( -13.465 -7.774 9.488) 18.214 12.778 ( -9.705 -5.603 -3.532) 11.750 17.574 ( -10.506 -6.066 -0.884) 12.163 18.192 ( -6.712 -3.875 -3.651) 8.567 18.351 ( 10.398 6.003 2.737) 12.314 18.472 ( 1.327 0.766 -1.118) 1.896 21.363 ( -13.158 -7.597 4.142) 15.749 21.390 ( -10.611 -6.126 1.110) 12.303 27.400 ( -0.099 -0.057 0.881) 0.888 27.542 ( 2.716 1.568 -1.041) 3.304 36.683 ( 3.506 2.024 -5.172) 6.568 37.023 ( 6.956 4.016 4.660) 9.286 37.657 ( 14.358 8.290 -24.737) 29.779 38.071 ( 27.159 15.680 12.260) 33.672 ======================= Grid point 645 (175/189) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( -2.621 -1.513 -4.397) 5.338 2.231 ( 4.698 2.713 -5.226) 7.533 3.021 ( 6.513 3.760 0.065) 7.521 3.077 ( -2.686 -1.551 -10.912) 11.344 4.094 ( -7.905 -4.564 13.625) 16.400 4.452 ( 2.569 1.483 6.497) 7.142 5.328 ( -9.929 -5.732 0.345) 11.470 5.719 ( -5.794 -3.345 7.034) 9.708 6.870 ( 4.597 2.654 -12.376) 13.466 7.224 ( 14.432 8.332 5.311) 17.491 7.293 ( -0.534 -0.309 -7.210) 7.237 7.675 ( 10.526 6.077 6.329) 13.704 10.187 ( -2.612 -1.508 -4.942) 5.790 10.194 ( -4.155 -2.399 1.105) 4.923 10.598 ( -9.629 -5.559 -9.861) 14.861 10.983 ( 8.128 4.693 7.758) 12.176 12.016 ( -7.560 -4.365 5.697) 10.424 12.573 ( -7.695 -4.443 0.236) 8.889 17.358 ( -7.484 -4.321 -1.407) 8.756 18.014 ( -6.962 -4.019 -2.308) 8.363 18.451 ( -1.868 -1.078 -3.638) 4.229 18.657 ( 13.725 7.924 5.206) 16.682 21.128 ( -9.353 -5.400 2.951) 11.196 21.173 ( -8.239 -4.757 -0.436) 9.523 27.421 ( 1.487 0.859 1.008) 1.991 27.603 ( 2.768 1.598 -0.500) 3.235 36.756 ( 4.563 2.634 -3.228) 6.179 37.172 ( 4.139 2.390 3.822) 6.119 37.724 ( 3.365 1.943 -23.789) 24.105 38.751 ( 25.300 14.607 15.118) 32.894 ======================= Grid point 654 (176/189) ======================= q-point: ( 0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( -0.000 -2.997 21.351) 21.560 2.336 ( -0.000 10.584 21.641) 24.091 2.759 ( 0.000 -3.780 -12.389) 12.953 2.966 ( 0.000 -0.717 -12.012) 12.033 3.544 ( -0.000 8.968 35.571) 36.684 4.785 ( 0.000 -1.542 -21.960) 22.015 5.712 ( -0.000 2.090 12.405) 12.580 5.717 ( -0.000 2.354 14.236) 14.430 6.217 ( 0.000 1.670 -11.399) 11.521 6.375 ( 0.000 14.475 -11.605) 18.553 6.902 ( -0.000 0.412 15.229) 15.235 7.486 ( 0.000 -1.201 -11.668) 11.730 10.028 ( -0.000 2.167 20.118) 20.235 10.108 ( -0.000 5.424 23.445) 24.065 10.953 ( 0.000 -1.420 -19.939) 19.990 11.012 ( 0.000 -2.776 -19.893) 20.086 12.774 ( -0.000 -3.809 10.321) 11.002 13.238 ( 0.000 -11.394 -11.868) 16.452 18.075 ( 0.000 -4.835 1.397) 5.033 18.195 ( 0.000 -4.241 -3.649) 5.595 18.205 ( -0.000 -0.071 4.248) 4.249 18.404 ( -0.000 3.295 -2.250) 3.990 21.817 ( -0.000 -7.177 7.571) 10.432 22.087 ( 0.000 -17.778 -3.774) 18.174 27.446 ( -0.000 -0.035 1.208) 1.208 27.489 ( 0.000 -1.449 -1.147) 1.848 36.390 ( -0.000 -0.295 5.621) 5.629 36.756 ( 0.000 5.309 -4.467) 6.938 36.872 ( -0.000 9.498 -5.576) 11.014 36.939 ( -0.000 37.320 -2.840) 37.428 ======================= Grid point 655 (177/189) ======================= q-point: ( 0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 2.059 1.458 17.215) 17.398 2.419 ( -12.162 7.974 17.459) 22.723 2.612 ( -2.903 -0.827 -10.935) 11.344 2.971 ( 8.881 -4.659 -13.540) 16.849 3.895 ( 8.591 7.744 27.787) 30.098 4.635 ( -3.411 -0.478 -18.567) 18.884 5.724 ( -3.963 -1.532 10.985) 11.778 5.855 ( 2.323 -4.000 9.945) 10.968 6.285 ( 9.641 9.585 -4.463) 14.309 6.510 ( 3.624 18.010 -11.732) 21.798 7.051 ( 7.632 1.260 11.567) 13.916 7.407 ( -1.527 0.496 -10.694) 10.814 10.180 ( 3.696 1.321 17.081) 17.526 10.279 ( -0.399 4.760 20.889) 21.428 10.757 ( -5.474 -2.204 -17.501) 18.469 10.938 ( 2.946 -1.930 -18.822) 19.149 12.694 ( -10.050 -6.219 10.235) 15.635 13.012 ( -3.624 -14.591 -9.757) 17.923 17.984 ( -8.945 -0.562 1.550) 9.095 18.052 ( 1.373 -9.909 -2.429) 10.294 18.341 ( 6.747 1.323 1.447) 7.026 18.397 ( -2.938 2.471 -1.651) 4.179 21.710 ( -6.141 -9.926 4.909) 12.662 21.803 ( -9.463 -16.824 0.078) 19.303 27.441 ( -1.386 0.529 0.992) 1.785 27.476 ( 0.932 -0.802 -1.238) 1.745 36.560 ( 14.331 -1.515 3.586) 14.850 36.696 ( -5.761 6.570 -5.049) 10.092 37.186 ( 21.430 11.577 1.658) 24.414 37.342 ( 3.490 40.170 -10.456) 41.655 ======================= Grid point 656 (178/189) ======================= q-point: ( 0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( -4.577 0.772 11.828) 12.707 2.330 ( -12.032 9.475 3.569) 15.725 2.641 ( 9.405 1.568 1.449) 9.644 3.007 ( 8.233 -2.902 -13.382) 15.978 4.180 ( 3.185 1.839 19.153) 19.503 4.487 ( -3.274 -0.040 -11.908) 12.350 5.638 ( -7.724 -5.614 6.666) 11.645 5.816 ( -0.848 -9.279 2.661) 9.691 6.637 ( 13.008 12.126 2.847) 18.009 6.711 ( 8.046 16.171 -8.066) 19.782 7.285 ( 11.255 2.996 6.569) 13.371 7.343 ( -1.951 3.479 -9.373) 10.186 10.293 ( -0.040 -2.776 12.413) 12.720 10.367 ( -6.034 4.099 4.363) 8.500 10.653 ( 5.774 -1.910 -0.549) 6.106 10.847 ( -1.551 -0.239 -16.506) 16.581 12.442 ( -15.669 -8.161 9.249) 19.942 12.757 ( -3.517 -15.087 -6.247) 16.704 17.767 ( -14.489 0.297 0.593) 14.504 18.062 ( 8.580 -9.909 -2.275) 13.303 18.358 ( -1.890 3.163 1.674) 4.047 18.447 ( 2.996 1.875 -1.591) 3.876 21.488 ( -9.878 -11.491 2.079) 15.295 21.490 ( -9.649 -10.880 1.634) 14.634 27.429 ( -1.553 1.598 1.021) 2.451 27.499 ( 2.742 0.379 -1.217) 3.024 36.674 ( -1.361 6.555 -4.432) 8.029 36.811 ( 15.001 -3.136 1.737) 15.423 37.664 ( 0.645 31.580 -15.009) 34.971 37.787 ( 28.301 13.532 9.062) 32.652 ======================= Grid point 657 (179/189) ======================= q-point: ( 0.67 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( -11.782 -1.469 5.395) 13.042 2.289 ( -3.902 9.626 -5.071) 11.558 2.852 ( 8.398 -0.107 1.497) 8.531 3.075 ( 5.679 5.410 -9.075) 11.994 4.226 ( -5.206 -4.510 13.365) 15.036 4.436 ( 2.285 0.358 -2.359) 3.304 5.431 ( -10.383 -7.801 1.528) 13.076 5.714 ( -0.043 -11.544 1.625) 11.657 6.820 ( 1.690 10.585 -7.600) 13.140 7.067 ( 13.586 6.410 2.868) 15.294 7.327 ( -0.672 8.785 -5.840) 10.570 7.558 ( 12.549 4.718 5.187) 14.375 10.234 ( -7.044 -1.336 -2.790) 7.693 10.274 ( -4.603 -1.882 3.268) 5.951 10.656 ( -6.878 -1.157 -9.229) 11.568 10.889 ( 10.722 2.001 5.902) 12.402 12.152 ( -12.425 -7.751 6.355) 15.963 12.543 ( -1.478 -14.648 -2.668) 14.962 17.535 ( -13.914 2.127 0.429) 14.082 18.017 ( -0.878 -8.476 -3.369) 9.163 18.445 ( 0.353 -0.296 -0.557) 0.723 18.523 ( 10.427 5.287 2.395) 11.934 21.234 ( -8.916 -8.470 2.437) 12.537 21.251 ( -8.110 -7.704 -0.831) 11.217 27.438 ( -0.552 2.657 1.254) 2.990 27.558 ( 3.671 1.049 -0.826) 3.906 36.725 ( 1.775 6.319 -2.945) 7.194 37.010 ( 11.650 -4.151 0.341) 12.372 37.794 ( -6.606 23.299 -17.023) 29.601 38.477 ( 29.643 10.054 14.769) 34.611 ======================= Grid point 668 (180/189) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -0.000 -1.849 11.052) 11.206 2.653 ( 0.000 8.011 -11.277) 13.833 2.671 ( 0.000 -11.185 -9.930) 14.956 2.720 ( -0.000 5.181 10.809) 11.986 4.040 ( -0.000 8.185 24.953) 26.261 4.567 ( 0.000 0.531 -18.471) 18.478 5.782 ( 0.000 -8.841 5.560) 10.443 5.856 ( -0.000 -0.144 9.382) 9.383 6.279 ( -0.000 12.496 -0.615) 12.511 6.623 ( -0.000 21.818 -12.205) 25.000 7.057 ( -0.000 0.121 13.822) 13.822 7.390 ( 0.000 3.897 -8.725) 9.556 10.225 ( -0.000 -1.834 13.638) 13.761 10.438 ( -0.000 2.955 21.261) 21.465 10.708 ( 0.000 -7.303 -17.725) 19.170 10.794 ( 0.000 6.116 -16.425) 17.527 12.778 ( -0.000 -6.103 8.695) 10.624 12.817 ( 0.000 -18.862 -9.504) 21.121 17.860 ( 0.000 -13.223 -2.189) 13.403 18.204 ( -0.000 -4.316 4.178) 6.006 18.223 ( -0.000 7.731 -2.496) 8.124 18.437 ( -0.000 1.410 -0.348) 1.452 21.671 ( 0.000 -13.088 3.399) 13.522 21.702 ( 0.000 -18.004 0.003) 18.004 27.448 ( 0.000 -1.153 -1.462) 1.863 27.469 ( -0.000 1.521 0.929) 1.782 36.476 ( -0.000 3.353 4.611) 5.702 36.951 ( -0.000 13.610 4.874) 14.456 36.979 ( -0.000 8.323 -4.659) 9.539 37.675 ( -0.000 40.956 -11.653) 42.581 ======================= Grid point 669 (181/189) ======================= q-point: ( 0.58 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 7.261 -1.477 7.731) 10.708 2.422 ( -2.640 -8.347 -12.377) 15.161 2.762 ( 2.668 2.981 -5.114) 6.492 2.784 ( -3.454 9.751 8.860) 13.620 4.255 ( 2.602 4.502 17.134) 17.905 4.457 ( -2.046 -0.697 -15.376) 15.527 5.690 ( -0.543 -11.738 2.207) 11.956 5.797 ( -8.332 -3.727 2.825) 9.555 6.550 ( 12.868 12.452 6.458) 19.035 6.784 ( 0.811 19.867 -9.773) 22.156 7.190 ( 6.883 1.726 9.857) 12.146 7.392 ( -2.023 8.195 -6.937) 10.926 10.284 ( 3.194 -5.176 10.020) 11.722 10.500 ( -5.459 -3.938 -12.013) 13.770 10.574 ( 3.059 -0.864 16.153) 16.463 10.797 ( -0.572 6.892 -13.815) 15.449 12.573 ( -0.718 -19.156 -7.184) 20.471 12.652 ( -11.191 -7.692 6.736) 15.158 17.786 ( 7.778 -12.698 -1.765) 14.995 18.029 ( -12.621 0.714 1.903) 12.783 18.381 ( 4.697 4.012 -0.835) 6.233 18.431 ( -1.327 1.284 0.062) 1.847 21.493 ( -4.858 -14.756 1.129) 15.577 21.502 ( -4.940 -13.303 0.523) 14.200 27.448 ( 1.999 -0.359 -1.433) 2.486 27.483 ( -1.255 2.664 0.872) 3.071 36.613 ( 8.289 2.899 3.256) 9.366 36.835 ( -9.872 9.836 -1.427) 14.009 37.475 ( 26.001 11.569 8.973) 29.840 37.972 ( -2.960 36.244 -14.177) 39.030 ======================= Grid point 670 (182/189) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 2.792 -7.258 -8.891) 11.812 2.293 ( -7.682 -1.211 8.891) 11.812 2.895 ( 8.628 8.190 -13.452) 17.957 2.895 ( 2.779 11.567 13.452) 17.957 4.346 ( 1.090 -3.583 -10.863) 11.491 4.346 ( -3.648 -0.848 10.863) 11.491 5.567 ( -4.119 -11.387 -5.975) 13.503 5.567 ( -7.802 -9.261 5.975) 13.503 6.919 ( 1.950 12.737 -6.547) 14.454 6.919 ( 10.056 8.057 6.547) 14.454 7.421 ( -1.589 12.363 -5.405) 13.586 7.421 ( 11.501 4.806 5.405) 13.586 10.309 ( -5.301 -3.371 -9.199) 11.139 10.309 ( -0.269 -6.276 9.199) 11.139 10.744 ( -3.335 5.790 -13.685) 15.229 10.744 ( 6.682 0.007 13.685) 15.229 12.354 ( 0.051 -18.124 -5.612) 18.973 12.354 ( -15.722 -9.018 5.612) 18.973 17.822 ( 3.468 -7.716 -4.796) 9.724 17.822 ( -8.416 -0.855 4.796) 9.724 18.452 ( 0.925 3.203 -5.856) 6.739 18.452 ( 2.311 2.402 5.856) 6.739 21.279 ( -6.189 -10.569 -1.532) 12.343 21.279 ( -6.059 -10.644 1.532) 12.343 27.495 ( 3.367 0.872 -1.379) 3.741 27.495 ( -0.928 3.352 1.379) 3.741 36.805 ( -1.972 7.798 -1.469) 8.176 36.805 ( 7.739 2.191 1.469) 8.176 38.120 ( -8.437 29.240 -14.897) 33.883 38.120 ( 29.541 7.314 14.897) 33.883 ======================= Grid point 682 (183/189) ======================= q-point: ( 0.58 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( -0.000 -0.691 2.114) 2.224 2.214 ( 0.000 -15.510 -12.485) 19.911 2.819 ( -0.000 13.516 -3.527) 13.969 2.960 ( -0.000 2.072 13.386) 13.546 4.360 ( -0.000 5.168 10.124) 11.367 4.373 ( 0.000 -3.459 -15.247) 15.634 5.574 ( 0.000 -12.474 -0.692) 12.493 5.866 ( 0.000 -4.272 0.545) 4.307 6.585 ( -0.000 11.451 9.194) 14.685 6.931 ( -0.000 20.468 -9.448) 22.543 7.196 ( -0.000 0.615 10.772) 10.789 7.484 ( -0.000 11.719 -4.839) 12.679 10.231 ( -0.000 -5.758 5.383) 7.882 10.392 ( 0.000 -8.318 -10.808) 13.638 10.627 ( -0.000 -4.245 15.689) 16.253 10.853 ( 0.000 11.502 -9.092) 14.661 12.351 ( 0.000 -17.733 -7.537) 19.268 12.712 ( 0.000 -7.758 4.874) 9.162 17.576 ( 0.000 -12.975 -1.029) 13.015 18.132 ( 0.000 -6.990 3.743) 7.929 18.405 ( -0.000 13.754 -4.051) 14.338 18.452 ( -0.000 -0.529 1.577) 1.663 21.394 ( 0.000 -13.717 0.836) 13.743 21.404 ( 0.000 -14.177 -1.146) 14.223 27.419 ( 0.000 -0.027 -1.578) 1.578 27.528 ( -0.000 3.319 0.814) 3.418 36.610 ( -0.000 5.363 3.966) 6.670 37.091 ( -0.000 7.322 -3.953) 8.321 37.338 ( -0.000 12.669 16.250) 20.605 38.281 ( -0.000 34.738 -14.765) 37.746 ======================= Grid point 805 (184/189) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( -0.000 -0.000 22.271) 22.271 2.252 ( -0.000 -0.000 22.271) 22.271 2.819 ( 0.000 0.000 -13.398) 13.398 2.819 ( 0.000 0.000 -13.398) 13.398 3.644 ( -0.000 -0.000 37.753) 37.753 4.666 ( 0.000 0.000 -27.155) 27.155 5.749 ( -0.000 -0.000 13.293) 13.293 5.749 ( -0.000 -0.000 13.293) 13.293 6.159 ( 0.000 0.000 -12.178) 12.178 6.159 ( 0.000 0.000 -12.178) 12.178 6.974 ( -0.000 -0.000 15.815) 15.815 7.435 ( 0.000 0.000 -13.164) 13.164 10.152 ( -0.000 -0.000 24.008) 24.008 10.152 ( -0.000 -0.000 24.008) 24.008 10.891 ( 0.000 0.000 -21.992) 21.992 10.891 ( 0.000 0.000 -21.992) 21.992 12.877 ( -0.000 -0.000 11.524) 11.524 13.279 ( 0.000 0.000 -13.355) 13.355 18.175 ( -0.000 -0.000 3.888) 3.888 18.175 ( -0.000 -0.000 3.888) 3.888 18.297 ( 0.000 0.000 -3.721) 3.721 18.297 ( 0.000 0.000 -3.721) 3.721 21.940 ( -0.000 -0.000 9.341) 9.341 22.235 ( 0.000 0.000 -9.046) 9.046 27.457 ( -0.000 -0.000 1.415) 1.415 27.500 ( 0.000 0.000 -1.271) 1.271 36.486 ( -0.000 -0.000 6.947) 6.947 36.486 ( -0.000 -0.000 6.947) 6.947 36.712 ( 0.000 0.000 -7.108) 7.108 36.712 ( 0.000 0.000 -7.108) 7.108 ======================= Grid point 806 (185/189) ======================= q-point: ( 0.50 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( -4.121 -2.379 20.004) 20.562 2.446 ( -1.814 -1.047 20.553) 20.660 2.580 ( -5.278 -3.047 -14.712) 15.924 2.908 ( 6.748 3.896 -14.295) 16.281 3.929 ( 7.714 4.453 32.082) 33.295 4.518 ( -0.485 -0.280 -25.842) 25.848 5.799 ( -1.550 -0.895 12.213) 12.343 5.924 ( 5.596 3.231 12.818) 14.355 6.134 ( 5.202 3.003 -9.652) 11.369 6.191 ( 8.591 4.960 -12.948) 16.311 7.085 ( 3.159 1.824 13.415) 13.902 7.350 ( -1.183 -0.683 -12.994) 13.066 10.269 ( 1.451 0.838 22.254) 22.317 10.328 ( 1.574 0.909 22.513) 22.587 10.692 ( -3.783 -2.184 -20.629) 21.086 10.840 ( 2.558 1.477 -21.888) 22.087 12.861 ( -7.328 -4.231 11.567) 14.332 13.133 ( -6.069 -3.504 -12.030) 13.922 18.047 ( -8.245 -4.760 3.009) 9.984 18.179 ( -2.810 -1.622 -2.652) 4.191 18.307 ( 3.976 2.296 2.235) 5.107 18.343 ( 1.591 0.918 -2.706) 3.270 21.894 ( -7.938 -4.583 7.464) 11.821 22.038 ( -12.044 -6.954 -5.676) 15.021 27.451 ( -1.105 -0.638 1.228) 1.770 27.483 ( -0.443 -0.256 -1.137) 1.247 36.591 ( -1.144 -0.660 -6.657) 6.786 36.679 ( 15.704 9.067 -0.919) 18.156 36.680 ( 8.054 4.650 6.543) 11.371 36.954 ( 19.079 11.015 -2.438) 22.165 ======================= Grid point 807 (186/189) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -4.314 -2.491 5.414) 7.357 2.404 ( -9.943 -5.741 18.381) 21.672 2.557 ( 8.215 4.743 -2.202) 9.738 2.961 ( 4.442 2.565 -14.408) 15.294 4.242 ( 5.511 3.182 22.691) 23.566 4.392 ( 0.389 0.225 -19.708) 19.713 5.760 ( -6.642 -3.835 6.602) 10.119 5.948 ( -2.954 -1.705 -0.287) 3.423 6.376 ( 12.269 7.084 -11.353) 18.155 6.455 ( 18.817 10.864 7.474) 22.977 7.256 ( 6.877 3.971 8.230) 11.437 7.260 ( -0.790 -0.456 -12.014) 12.049 10.359 ( -3.504 -2.023 3.981) 5.676 10.426 ( -2.502 -1.444 17.687) 17.921 10.616 ( 5.980 3.453 -1.093) 6.991 10.764 ( 0.067 0.039 -19.922) 19.922 12.661 ( -14.685 -8.479 10.348) 19.865 12.914 ( -7.715 -4.454 -8.648) 12.416 17.831 ( -11.254 -6.498 1.405) 13.071 18.194 ( 4.850 2.800 1.137) 5.715 18.271 ( -3.773 -2.178 -4.189) 6.043 18.425 ( 2.851 1.646 1.090) 3.468 21.677 ( -12.627 -7.290 2.873) 14.861 21.707 ( -14.274 -8.241 -0.980) 16.512 27.428 ( -1.229 -0.709 1.154) 1.829 27.484 ( 1.205 0.696 -0.993) 1.710 36.560 ( 1.846 1.066 -5.994) 6.362 36.899 ( 8.144 4.702 5.327) 10.808 37.070 ( 18.343 10.590 -10.828) 23.788 37.531 ( 29.141 16.824 7.197) 34.410 ======================= Grid point 819 (187/189) ======================= q-point: ( 0.50 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( -0.000 -7.171 17.838) 19.225 2.533 ( 0.000 -3.058 -15.792) 16.086 2.650 ( -0.000 8.704 17.958) 19.956 2.741 ( 0.000 -1.648 -16.327) 16.410 4.070 ( -0.000 4.116 31.184) 31.455 4.397 ( 0.000 3.400 -27.358) 27.569 5.907 ( -0.000 0.491 11.688) 11.699 5.918 ( -0.000 -1.508 6.627) 6.796 6.053 ( -0.000 7.477 -4.852) 8.913 6.181 ( 0.000 14.738 -12.485) 19.315 7.135 ( -0.000 -0.316 14.356) 14.360 7.292 ( 0.000 0.685 -12.904) 12.922 10.354 ( -0.000 -2.345 20.836) 20.968 10.480 ( -0.000 4.217 23.430) 23.807 10.624 ( 0.000 0.870 -21.402) 21.420 10.681 ( 0.000 -0.665 -21.890) 21.901 12.947 ( -0.000 -5.147 11.555) 12.649 13.048 ( 0.000 -9.599 -12.152) 15.486 18.085 ( 0.000 -10.027 -0.951) 10.072 18.156 ( 0.000 -1.374 -0.439) 1.442 18.272 ( -0.000 0.053 4.122) 4.122 18.364 ( -0.000 4.868 -2.781) 5.606 21.935 ( -0.000 -9.914 7.221) 12.265 22.004 ( 0.000 -12.629 -6.382) 14.150 27.465 ( -0.000 -0.291 1.205) 1.240 27.470 ( 0.000 -1.440 -1.211) 1.882 36.486 ( -0.000 -1.497 6.533) 6.702 36.697 ( -0.000 10.712 -2.750) 11.059 36.780 ( 0.000 8.517 -6.154) 10.507 36.926 ( -0.000 29.195 0.825) 29.207 ======================= Grid point 820 (188/189) ======================= q-point: ( 0.58 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( -3.229 -0.126 -15.485) 15.818 2.357 ( 1.506 -2.859 15.485) 15.818 2.732 ( 9.990 -4.838 -16.552) 19.929 2.732 ( -9.185 6.232 16.552) 19.929 4.301 ( -0.248 5.092 -23.767) 24.308 4.301 ( 4.534 2.331 23.767) 24.308 5.876 ( 0.599 -6.681 -6.718) 9.494 5.876 ( -6.085 -2.822 6.718) 9.494 6.330 ( 4.283 18.696 -9.619) 21.457 6.330 ( 14.050 13.057 9.619) 21.457 7.233 ( -1.676 3.324 -11.422) 12.013 7.233 ( 3.716 0.210 11.422) 12.013 10.450 ( -5.284 0.394 -15.091) 15.994 10.450 ( 2.984 -4.379 15.091) 15.994 10.634 ( 3.101 1.603 -17.785) 18.124 10.634 ( -0.163 3.487 17.785) 18.124 12.855 ( -1.932 -12.704 -10.213) 16.414 12.855 ( -10.036 -8.025 10.213) 16.414 18.015 ( 3.287 -9.437 -2.247) 10.243 18.015 ( -9.816 -1.872 2.247) 10.243 18.368 ( -3.100 4.589 -1.874) 5.846 18.368 ( 5.524 -0.390 1.874) 5.846 21.776 ( -7.269 -13.210 -3.255) 15.425 21.776 ( -7.805 -12.900 3.255) 15.425 27.458 ( 1.031 -0.997 -1.103) 1.809 27.458 ( -1.379 0.395 1.103) 1.809 36.622 ( -7.562 9.315 -4.327) 12.755 36.622 ( 11.848 -1.891 4.327) 12.755 37.230 ( 0.423 31.694 -4.434) 32.006 37.230 ( 27.236 16.214 4.434) 32.006 ======================= Grid point 976 (189/189) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.27e-07 8.27e-07 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 0.000 0.000 -18.172) 18.172 2.570 ( 0.000 0.000 -18.172) 18.172 2.570 ( -0.000 -0.000 18.172) 18.172 2.570 ( -0.000 -0.000 18.172) 18.172 4.197 ( 0.000 0.000 -32.640) 32.640 4.197 ( -0.000 -0.000 32.640) 32.640 5.958 ( 0.000 0.000 -13.236) 13.236 5.958 ( 0.000 0.000 -13.236) 13.236 5.958 ( -0.000 -0.000 13.236) 13.236 5.958 ( -0.000 -0.000 13.236) 13.236 7.215 ( 0.000 0.000 -14.807) 14.807 7.215 ( -0.000 -0.000 14.807) 14.807 10.530 ( 0.000 0.000 -23.815) 23.815 10.530 ( 0.000 0.000 -23.815) 23.815 10.530 ( -0.000 -0.000 23.815) 23.815 10.530 ( -0.000 -0.000 23.815) 23.815 13.071 ( 0.000 0.000 -12.954) 12.954 13.071 ( -0.000 -0.000 12.954) 12.954 18.236 ( 0.000 0.000 -3.934) 3.934 18.236 ( -0.000 -0.000 3.934) 3.934 18.236 ( 0.000 0.000 -3.934) 3.934 18.236 ( -0.000 -0.000 3.934) 3.934 22.089 ( 0.000 0.000 -9.519) 9.519 22.089 ( -0.000 -0.000 9.519) 9.519 27.479 ( 0.000 0.000 -1.384) 1.384 27.479 ( -0.000 -0.000 1.384) 1.384 36.599 ( 0.000 0.000 -7.286) 7.286 36.599 ( 0.000 0.000 -7.286) 7.286 36.599 ( -0.000 -0.000 7.286) 7.286 36.599 ( -0.000 -0.000 7.286) 7.286 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/51840 10.0 4595.574 4595.574 8324.469 -0.000 -0.000 -0.000 3/51840 20.0 633.035 633.035 915.434 0.000 -0.000 -0.000 3/51840 30.0 227.460 227.460 296.921 0.000 -0.000 -0.000 3/51840 40.0 122.484 122.484 152.129 0.000 -0.000 -0.000 3/51840 50.0 80.150 80.150 96.701 0.000 -0.000 -0.000 3/51840 60.0 58.348 58.348 69.205 0.000 -0.000 -0.000 3/51840 70.0 45.367 45.367 53.246 0.000 -0.000 -0.000 3/51840 80.0 36.880 36.880 42.984 0.000 -0.000 -0.000 3/51840 90.0 30.956 30.956 35.900 0.000 -0.000 -0.000 3/51840 100.0 26.619 26.619 30.751 0.000 -0.000 -0.000 3/51840 110.0 23.323 23.323 26.860 0.000 -0.000 -0.000 3/51840 120.0 20.743 20.743 23.827 0.000 -0.000 -0.000 3/51840 130.0 18.674 18.674 21.402 0.000 -0.000 -0.000 3/51840 140.0 16.981 16.981 19.424 0.000 -0.000 -0.000 3/51840 150.0 15.572 15.572 17.781 0.000 -0.000 -0.000 3/51840 160.0 14.382 14.382 16.397 0.000 -0.000 -0.000 3/51840 170.0 13.364 13.364 15.215 0.000 -0.000 -0.000 3/51840 180.0 12.485 12.485 14.195 0.000 -0.000 -0.000 3/51840 190.0 11.717 11.717 13.306 0.000 -0.000 -0.000 3/51840 200.0 11.042 11.042 12.525 0.000 -0.000 -0.000 3/51840 210.0 10.443 10.443 11.832 0.000 -0.000 -0.000 3/51840 220.0 9.908 9.908 11.215 0.000 -0.000 -0.000 3/51840 230.0 9.427 9.427 10.661 0.000 -0.000 -0.000 3/51840 240.0 8.993 8.993 10.162 0.000 -0.000 -0.000 3/51840 250.0 8.600 8.600 9.709 0.000 -0.000 -0.000 3/51840 260.0 8.241 8.241 9.296 0.000 -0.000 -0.000 3/51840 270.0 7.912 7.912 8.919 0.000 -0.000 -0.000 3/51840 280.0 7.611 7.611 8.573 0.000 -0.000 -0.000 3/51840 290.0 7.332 7.332 8.254 0.000 -0.000 -0.000 3/51840 300.0 7.075 7.075 7.959 0.000 -0.000 -0.000 3/51840 310.0 6.836 6.836 7.686 0.000 -0.000 -0.000 3/51840 320.0 6.614 6.614 7.432 0.000 -0.000 -0.000 3/51840 330.0 6.407 6.407 7.196 0.000 -0.000 -0.000 3/51840 340.0 6.214 6.214 6.975 0.000 -0.000 -0.000 3/51840 350.0 6.032 6.032 6.768 0.000 -0.000 -0.000 3/51840 360.0 5.862 5.862 6.574 0.000 -0.000 -0.000 3/51840 370.0 5.702 5.702 6.392 0.000 -0.000 -0.000 3/51840 380.0 5.551 5.551 6.220 0.000 -0.000 -0.000 3/51840 390.0 5.408 5.408 6.057 0.000 -0.000 -0.000 3/51840 400.0 5.273 5.273 5.904 0.000 -0.000 -0.000 3/51840 410.0 5.145 5.145 5.759 0.000 -0.000 -0.000 3/51840 420.0 5.024 5.024 5.621 0.000 -0.000 -0.000 3/51840 430.0 4.909 4.909 5.490 0.000 -0.000 -0.000 3/51840 440.0 4.799 4.799 5.366 0.000 -0.000 -0.000 3/51840 450.0 4.695 4.695 5.248 0.000 -0.000 -0.000 3/51840 460.0 4.595 4.595 5.135 0.000 -0.000 -0.000 3/51840 470.0 4.500 4.500 5.027 0.000 -0.000 -0.000 3/51840 480.0 4.409 4.409 4.924 0.000 -0.000 -0.000 3/51840 490.0 4.321 4.321 4.825 0.000 -0.000 -0.000 3/51840 500.0 4.238 4.238 4.731 0.000 -0.000 -0.000 3/51840 510.0 4.158 4.158 4.640 0.000 -0.000 -0.000 3/51840 520.0 4.081 4.081 4.553 0.000 -0.000 -0.000 3/51840 530.0 4.007 4.007 4.470 0.000 -0.000 -0.000 3/51840 540.0 3.936 3.936 4.390 0.000 -0.000 -0.000 3/51840 550.0 3.868 3.868 4.312 0.000 -0.000 -0.000 3/51840 560.0 3.802 3.802 4.238 0.000 -0.000 -0.000 3/51840 570.0 3.738 3.738 4.166 0.000 -0.000 -0.000 3/51840 580.0 3.677 3.677 4.097 0.000 -0.000 -0.000 3/51840 590.0 3.618 3.618 4.030 0.000 -0.000 -0.000 3/51840 600.0 3.560 3.560 3.966 0.000 -0.000 -0.000 3/51840 610.0 3.505 3.505 3.904 0.000 -0.000 -0.000 3/51840 620.0 3.451 3.451 3.843 0.000 -0.000 -0.000 3/51840 630.0 3.400 3.400 3.785 0.000 -0.000 -0.000 3/51840 640.0 3.350 3.350 3.729 0.000 -0.000 -0.000 3/51840 650.0 3.301 3.301 3.674 0.000 -0.000 -0.000 3/51840 660.0 3.254 3.254 3.621 0.000 -0.000 -0.000 3/51840 670.0 3.208 3.208 3.569 0.000 -0.000 -0.000 3/51840 680.0 3.164 3.164 3.519 0.000 -0.000 -0.000 3/51840 690.0 3.120 3.120 3.471 0.000 -0.000 -0.000 3/51840 700.0 3.079 3.079 3.424 0.000 -0.000 -0.000 3/51840 710.0 3.038 3.038 3.378 0.000 -0.000 -0.000 3/51840 720.0 2.998 2.998 3.333 0.000 -0.000 -0.000 3/51840 730.0 2.960 2.960 3.290 0.000 -0.000 -0.000 3/51840 740.0 2.922 2.922 3.248 0.000 -0.000 -0.000 3/51840 750.0 2.886 2.886 3.207 0.000 -0.000 -0.000 3/51840 760.0 2.850 2.850 3.167 0.000 -0.000 -0.000 3/51840 770.0 2.815 2.815 3.128 0.000 -0.000 -0.000 3/51840 780.0 2.782 2.782 3.090 0.000 -0.000 -0.000 3/51840 790.0 2.749 2.749 3.053 0.000 -0.000 -0.000 3/51840 800.0 2.716 2.716 3.017 0.000 -0.000 -0.000 3/51840 810.0 2.685 2.685 2.981 0.000 -0.000 -0.000 3/51840 820.0 2.654 2.654 2.947 0.000 -0.000 -0.000 3/51840 830.0 2.625 2.625 2.913 0.000 -0.000 -0.000 3/51840 840.0 2.595 2.595 2.881 0.000 -0.000 -0.000 3/51840 850.0 2.567 2.567 2.849 0.000 -0.000 -0.000 3/51840 860.0 2.539 2.539 2.817 0.000 -0.000 -0.000 3/51840 870.0 2.512 2.512 2.787 0.000 -0.000 -0.000 3/51840 880.0 2.485 2.485 2.757 0.000 -0.000 -0.000 3/51840 890.0 2.459 2.459 2.727 0.000 -0.000 -0.000 3/51840 900.0 2.433 2.433 2.699 0.000 -0.000 -0.000 3/51840 910.0 2.408 2.408 2.671 0.000 -0.000 -0.000 3/51840 920.0 2.384 2.384 2.643 0.000 -0.000 -0.000 3/51840 930.0 2.360 2.360 2.617 0.000 -0.000 -0.000 3/51840 940.0 2.336 2.336 2.590 0.000 -0.000 -0.000 3/51840 950.0 2.313 2.313 2.564 0.000 -0.000 -0.000 3/51840 960.0 2.291 2.291 2.539 0.000 -0.000 -0.000 3/51840 970.0 2.269 2.269 2.514 0.000 -0.000 -0.000 3/51840 980.0 2.247 2.247 2.490 0.000 -0.000 -0.000 3/51840 990.0 2.226 2.226 2.466 0.000 -0.000 -0.000 3/51840 1000.0 2.205 2.205 2.443 0.000 -0.000 -0.000 3/51840 Thermal conductivity related properties were written into "kappa-m121212.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:28:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|