----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:39:19]------------------------- 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: [3 3 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I-42d (122) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.025653240000000 2.025653240000000 4.064988015000000 b 2.025653240000000 -2.025653240000000 4.064988015000000 c 2.025653240000000 2.025653240000000 -4.064988015000000 Atomic positions (fractional): *1 Be 0.75000000000000 0.25000000000000 0.50000000000000 9.012 2 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 *3 N 0.12881458723278 0.12500000000000 0.50381458723278 14.007 4 N 0.62118541276722 0.62500000000000 0.49618541276722 14.007 5 N 0.87500000000000 0.37881458723278 0.00381458723278 14.007 6 N 0.37500000000000 0.87118541276722 0.99618541276722 14.007 *7 Si 0.25000000000000 0.75000000000000 0.50000000000000 28.085 8 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.051306479999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.051306479999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.129976030000000 Atomic positions (fractional): *1 Be 0.00000000000000 0.50000000000000 0.25000000000000 9.012 > 1 2 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 > 2 3 Be 0.50000000000000 0.00000000000000 0.75000000000000 9.012 > 1 4 Be 0.50000000000000 0.50000000000000 0.50000000000000 9.012 > 2 *5 N 0.75000000000000 0.75381458723278 0.37500000000000 14.007 > 3 6 N 0.25000000000000 0.24618541276722 0.37500000000000 14.007 > 4 7 N 0.25381458723278 0.75000000000000 0.12500000000000 14.007 > 5 8 N 0.74618541276722 0.25000000000000 0.12500000000000 14.007 > 6 9 N 0.25000000000000 0.25381458723278 0.87500000000000 14.007 > 3 10 N 0.75000000000000 0.74618541276722 0.87500000000000 14.007 > 4 11 N 0.75381458723278 0.25000000000000 0.62500000000000 14.007 > 5 12 N 0.24618541276722 0.75000000000000 0.62500000000000 14.007 > 6 *13 Si 0.50000000000000 0.00000000000000 0.25000000000000 28.085 > 7 14 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 > 8 15 Si 0.00000000000000 0.50000000000000 0.75000000000000 28.085 > 7 16 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.153919439999997 0.000000000000000 0.000000000000000 b 0.000000000000000 12.153919439999997 0.000000000000000 c 0.000000000000000 0.000000000000000 8.129976030000000 Atomic positions (fractional): *1 Be 0.00000000000000 0.16666666666667 0.25000000000000 9.012 > 1 2 Be 0.33333333333333 0.16666666666667 0.25000000000000 9.012 > 1 3 Be 0.66666666666667 0.16666666666667 0.25000000000000 9.012 > 1 4 Be 0.00000000000000 0.50000000000000 0.25000000000000 9.012 > 1 5 Be 0.33333333333333 0.50000000000000 0.25000000000000 9.012 > 1 6 Be 0.66666666666667 0.50000000000000 0.25000000000000 9.012 > 1 7 Be 0.00000000000000 0.83333333333333 0.25000000000000 9.012 > 1 8 Be 0.33333333333333 0.83333333333333 0.25000000000000 9.012 > 1 9 Be 0.66666666666667 0.83333333333333 0.25000000000000 9.012 > 1 10 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 > 2 11 Be 0.33333333333333 0.00000000000000 0.00000000000000 9.012 > 2 12 Be 0.66666666666667 0.00000000000000 0.00000000000000 9.012 > 2 13 Be 0.00000000000000 0.33333333333333 0.00000000000000 9.012 > 2 14 Be 0.33333333333333 0.33333333333333 0.00000000000000 9.012 > 2 15 Be 0.66666666666667 0.33333333333333 0.00000000000000 9.012 > 2 16 Be 0.00000000000000 0.66666666666667 0.00000000000000 9.012 > 2 17 Be 0.33333333333333 0.66666666666667 0.00000000000000 9.012 > 2 18 Be 0.66666666666667 0.66666666666667 0.00000000000000 9.012 > 2 19 Be 0.16666666666667 0.00000000000000 0.75000000000000 9.012 > 1 20 Be 0.50000000000000 0.00000000000000 0.75000000000000 9.012 > 1 21 Be 0.83333333333333 0.00000000000000 0.75000000000000 9.012 > 1 22 Be 0.16666666666667 0.33333333333333 0.75000000000000 9.012 > 1 23 Be 0.50000000000000 0.33333333333333 0.75000000000000 9.012 > 1 24 Be 0.83333333333333 0.33333333333333 0.75000000000000 9.012 > 1 25 Be 0.16666666666667 0.66666666666667 0.75000000000000 9.012 > 1 26 Be 0.50000000000000 0.66666666666667 0.75000000000000 9.012 > 1 27 Be 0.83333333333333 0.66666666666667 0.75000000000000 9.012 > 1 28 Be 0.16666666666667 0.16666666666667 0.50000000000000 9.012 > 2 29 Be 0.50000000000000 0.16666666666667 0.50000000000000 9.012 > 2 30 Be 0.83333333333333 0.16666666666667 0.50000000000000 9.012 > 2 31 Be 0.16666666666667 0.50000000000000 0.50000000000000 9.012 > 2 32 Be 0.50000000000000 0.50000000000000 0.50000000000000 9.012 > 2 33 Be 0.83333333333333 0.50000000000000 0.50000000000000 9.012 > 2 34 Be 0.16666666666667 0.83333333333333 0.50000000000000 9.012 > 2 35 Be 0.50000000000000 0.83333333333333 0.50000000000000 9.012 > 2 36 Be 0.83333333333333 0.83333333333333 0.50000000000000 9.012 > 2 *37 N 0.25000000000000 0.25127152907759 0.37500000000000 14.007 > 3 38 N 0.58333333333333 0.25127152907759 0.37500000000000 14.007 > 3 39 N 0.91666666666667 0.25127152907759 0.37500000000000 14.007 > 3 40 N 0.25000000000000 0.58460486241093 0.37500000000000 14.007 > 3 41 N 0.58333333333333 0.58460486241093 0.37500000000000 14.007 > 3 42 N 0.91666666666667 0.58460486241093 0.37500000000000 14.007 > 3 43 N 0.25000000000000 0.91793819574426 0.37500000000000 14.007 > 3 44 N 0.58333333333333 0.91793819574426 0.37500000000000 14.007 > 3 45 N 0.91666666666667 0.91793819574426 0.37500000000000 14.007 > 3 46 N 0.08333333333333 0.08206180425574 0.37500000000000 14.007 > 4 47 N 0.41666666666667 0.08206180425574 0.37500000000000 14.007 > 4 48 N 0.75000000000000 0.08206180425574 0.37500000000000 14.007 > 4 49 N 0.08333333333333 0.41539513758907 0.37500000000000 14.007 > 4 50 N 0.41666666666667 0.41539513758907 0.37500000000000 14.007 > 4 51 N 0.75000000000000 0.41539513758907 0.37500000000000 14.007 > 4 52 N 0.08333333333333 0.74872847092241 0.37500000000000 14.007 > 4 53 N 0.41666666666667 0.74872847092241 0.37500000000000 14.007 > 4 54 N 0.75000000000000 0.74872847092241 0.37500000000000 14.007 > 4 55 N 0.08460486241093 0.25000000000000 0.12500000000000 14.007 > 5 56 N 0.41793819574426 0.25000000000000 0.12500000000000 14.007 > 5 57 N 0.75127152907759 0.25000000000000 0.12500000000000 14.007 > 5 58 N 0.08460486241093 0.58333333333333 0.12500000000000 14.007 > 5 59 N 0.41793819574426 0.58333333333333 0.12500000000000 14.007 > 5 60 N 0.75127152907759 0.58333333333333 0.12500000000000 14.007 > 5 61 N 0.08460486241093 0.91666666666667 0.12500000000000 14.007 > 5 62 N 0.41793819574426 0.91666666666667 0.12500000000000 14.007 > 5 63 N 0.75127152907759 0.91666666666667 0.12500000000000 14.007 > 5 64 N 0.24872847092241 0.08333333333333 0.12500000000000 14.007 > 6 65 N 0.58206180425574 0.08333333333333 0.12500000000000 14.007 > 6 66 N 0.91539513758907 0.08333333333333 0.12500000000000 14.007 > 6 67 N 0.24872847092241 0.41666666666667 0.12500000000000 14.007 > 6 68 N 0.58206180425574 0.41666666666667 0.12500000000000 14.007 > 6 69 N 0.91539513758907 0.41666666666667 0.12500000000000 14.007 > 6 70 N 0.24872847092241 0.75000000000000 0.12500000000000 14.007 > 6 71 N 0.58206180425574 0.75000000000000 0.12500000000000 14.007 > 6 72 N 0.91539513758907 0.75000000000000 0.12500000000000 14.007 > 6 73 N 0.08333333333333 0.08460486241093 0.87500000000000 14.007 > 3 74 N 0.41666666666667 0.08460486241093 0.87500000000000 14.007 > 3 75 N 0.75000000000000 0.08460486241093 0.87500000000000 14.007 > 3 76 N 0.08333333333333 0.41793819574426 0.87500000000000 14.007 > 3 77 N 0.41666666666667 0.41793819574426 0.87500000000000 14.007 > 3 78 N 0.75000000000000 0.41793819574426 0.87500000000000 14.007 > 3 79 N 0.08333333333333 0.75127152907759 0.87500000000000 14.007 > 3 80 N 0.41666666666667 0.75127152907759 0.87500000000000 14.007 > 3 81 N 0.75000000000000 0.75127152907759 0.87500000000000 14.007 > 3 82 N 0.25000000000000 0.24872847092241 0.87500000000000 14.007 > 4 83 N 0.58333333333333 0.24872847092241 0.87500000000000 14.007 > 4 84 N 0.91666666666667 0.24872847092241 0.87500000000000 14.007 > 4 85 N 0.25000000000000 0.58206180425574 0.87500000000000 14.007 > 4 86 N 0.58333333333333 0.58206180425574 0.87500000000000 14.007 > 4 87 N 0.91666666666667 0.58206180425574 0.87500000000000 14.007 > 4 88 N 0.25000000000000 0.91539513758907 0.87500000000000 14.007 > 4 89 N 0.58333333333333 0.91539513758907 0.87500000000000 14.007 > 4 90 N 0.91666666666667 0.91539513758907 0.87500000000000 14.007 > 4 91 N 0.25127152907759 0.08333333333333 0.62500000000000 14.007 > 5 92 N 0.58460486241093 0.08333333333333 0.62500000000000 14.007 > 5 93 N 0.91793819574426 0.08333333333333 0.62500000000000 14.007 > 5 94 N 0.25127152907759 0.41666666666667 0.62500000000000 14.007 > 5 95 N 0.58460486241093 0.41666666666667 0.62500000000000 14.007 > 5 96 N 0.91793819574426 0.41666666666667 0.62500000000000 14.007 > 5 97 N 0.25127152907759 0.75000000000000 0.62500000000000 14.007 > 5 98 N 0.58460486241093 0.75000000000000 0.62500000000000 14.007 > 5 99 N 0.91793819574426 0.75000000000000 0.62500000000000 14.007 > 5 100 N 0.08206180425574 0.25000000000000 0.62500000000000 14.007 > 6 101 N 0.41539513758907 0.25000000000000 0.62500000000000 14.007 > 6 102 N 0.74872847092241 0.25000000000000 0.62500000000000 14.007 > 6 103 N 0.08206180425574 0.58333333333333 0.62500000000000 14.007 > 6 104 N 0.41539513758907 0.58333333333333 0.62500000000000 14.007 > 6 105 N 0.74872847092241 0.58333333333333 0.62500000000000 14.007 > 6 106 N 0.08206180425574 0.91666666666667 0.62500000000000 14.007 > 6 107 N 0.41539513758907 0.91666666666667 0.62500000000000 14.007 > 6 108 N 0.74872847092241 0.91666666666667 0.62500000000000 14.007 > 6 *109 Si 0.16666666666667 0.00000000000000 0.25000000000000 28.085 > 7 110 Si 0.50000000000000 0.00000000000000 0.25000000000000 28.085 > 7 111 Si 0.83333333333333 0.00000000000000 0.25000000000000 28.085 > 7 112 Si 0.16666666666667 0.33333333333333 0.25000000000000 28.085 > 7 113 Si 0.50000000000000 0.33333333333333 0.25000000000000 28.085 > 7 114 Si 0.83333333333333 0.33333333333333 0.25000000000000 28.085 > 7 115 Si 0.16666666666667 0.66666666666667 0.25000000000000 28.085 > 7 116 Si 0.50000000000000 0.66666666666667 0.25000000000000 28.085 > 7 117 Si 0.83333333333333 0.66666666666667 0.25000000000000 28.085 > 7 118 Si 0.16666666666667 0.16666666666667 0.00000000000000 28.085 > 8 119 Si 0.50000000000000 0.16666666666667 0.00000000000000 28.085 > 8 120 Si 0.83333333333333 0.16666666666667 0.00000000000000 28.085 > 8 121 Si 0.16666666666667 0.50000000000000 0.00000000000000 28.085 > 8 122 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 > 8 123 Si 0.83333333333333 0.50000000000000 0.00000000000000 28.085 > 8 124 Si 0.16666666666667 0.83333333333333 0.00000000000000 28.085 > 8 125 Si 0.50000000000000 0.83333333333333 0.00000000000000 28.085 > 8 126 Si 0.83333333333333 0.83333333333333 0.00000000000000 28.085 > 8 127 Si 0.00000000000000 0.16666666666667 0.75000000000000 28.085 > 7 128 Si 0.33333333333333 0.16666666666667 0.75000000000000 28.085 > 7 129 Si 0.66666666666667 0.16666666666667 0.75000000000000 28.085 > 7 130 Si 0.00000000000000 0.50000000000000 0.75000000000000 28.085 > 7 131 Si 0.33333333333333 0.50000000000000 0.75000000000000 28.085 > 7 132 Si 0.66666666666667 0.50000000000000 0.75000000000000 28.085 > 7 133 Si 0.00000000000000 0.83333333333333 0.75000000000000 28.085 > 7 134 Si 0.33333333333333 0.83333333333333 0.75000000000000 28.085 > 7 135 Si 0.66666666666667 0.83333333333333 0.75000000000000 28.085 > 7 136 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 > 8 137 Si 0.33333333333333 0.00000000000000 0.50000000000000 28.085 > 8 138 Si 0.66666666666667 0.00000000000000 0.50000000000000 28.085 > 8 139 Si 0.00000000000000 0.33333333333333 0.50000000000000 28.085 > 8 140 Si 0.33333333333333 0.33333333333333 0.50000000000000 28.085 > 8 141 Si 0.66666666666667 0.33333333333333 0.50000000000000 28.085 > 8 142 Si 0.00000000000000 0.66666666666667 0.50000000000000 28.085 > 8 143 Si 0.33333333333333 0.66666666666667 0.50000000000000 28.085 > 8 144 Si 0.66666666666667 0.66666666666667 0.50000000000000 28.085 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5919579 0.0000000 0.0000000 0.0000000 4.5919579 0.0000000 0.0000000 0.0000000 4.6321794 -------------------------- Born effective charges -------------------------- 1 Be 1.7041591 0.1041912 0.0000000 -0.1041912 1.7041591 0.0000000 0.0000000 0.0000000 1.5764463 2 Be 1.7041591 -0.1041912 0.0000000 0.1041912 1.7041591 0.0000000 0.0000000 0.0000000 1.5764463 3 N -2.4310626 0.0000000 -0.2529096 0.0000000 -2.3175273 0.0000000 -0.2166894 0.0000000 -2.4352388 4 N -2.4310626 0.0000000 0.2529096 0.0000000 -2.3175273 0.0000000 0.2166894 0.0000000 -2.4352388 5 N -2.3175273 0.0000000 0.0000000 0.0000000 -2.4310626 -0.2529096 0.0000000 -0.2166894 -2.4352388 6 N -2.3175273 0.0000000 0.0000000 0.0000000 -2.4310626 0.2529096 0.0000000 0.2166894 -2.4352388 7 Si 3.0444308 -0.1696244 0.0000000 0.1696244 3.0444308 0.0000000 0.0000000 0.0000000 3.2940312 8 Si 3.0444308 0.1696244 0.0000000 -0.1696244 3.0444308 0.0000000 0.0000000 0.0000000 3.2940312 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 6432/6432 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 702 Number of blocks in projector: 702 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 96 Use standard eigh solver. Tree of FC basis block matrices: - (702, 691), data: False |-- (96, 93), data: True |-- (140, 138), data: True |-- (186, 182), data: True |-- (280, 278), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 160 - Time: 0.803 Solver_block: 160 / 160 - Time: 0.517 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.340 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 6432/6432 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 702 Number of blocks in projector: 702 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 96 Use standard eigh solver. Tree of FC basis block matrices: - (702, 691), data: False |-- (96, 93), data: True |-- (140, 138), data: True |-- (186, 182), data: True |-- (280, 278), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 01:39:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:39:29]------------------------- 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): [3 3 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I-42d (122) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.025653240000000 2.025653240000000 4.064988015000000 b 2.025653240000000 -2.025653240000000 4.064988015000000 c 2.025653240000000 2.025653240000000 -4.064988015000000 Atomic positions (fractional): 1 Be 0.75000000000000 0.25000000000000 0.50000000000000 9.012 2 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 3 N 0.12881458723278 0.12500000000000 0.50381458723278 14.007 4 N 0.62118541276722 0.62500000000000 0.49618541276722 14.007 5 N 0.87500000000000 0.37881458723278 0.00381458723278 14.007 6 N 0.37500000000000 0.87118541276722 0.99618541276722 14.007 7 Si 0.25000000000000 0.75000000000000 0.50000000000000 28.085 8 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.153919439999997 0.000000000000000 0.000000000000000 b 0.000000000000000 12.153919439999997 0.000000000000000 c 0.000000000000000 0.000000000000000 8.129976030000000 Atomic positions (fractional): 1 Be 0.00000000000000 0.16666666666667 0.25000000000000 9.012 > 1 2 Be 0.33333333333333 0.16666666666667 0.25000000000000 9.012 > 1 3 Be 0.66666666666667 0.16666666666667 0.25000000000000 9.012 > 1 4 Be 0.00000000000000 0.50000000000000 0.25000000000000 9.012 > 1 5 Be 0.33333333333333 0.50000000000000 0.25000000000000 9.012 > 1 6 Be 0.66666666666667 0.50000000000000 0.25000000000000 9.012 > 1 7 Be 0.00000000000000 0.83333333333333 0.25000000000000 9.012 > 1 8 Be 0.33333333333333 0.83333333333333 0.25000000000000 9.012 > 1 9 Be 0.66666666666667 0.83333333333333 0.25000000000000 9.012 > 1 10 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 > 10 11 Be 0.33333333333333 0.00000000000000 0.00000000000000 9.012 > 10 12 Be 0.66666666666667 0.00000000000000 0.00000000000000 9.012 > 10 13 Be 0.00000000000000 0.33333333333333 0.00000000000000 9.012 > 10 14 Be 0.33333333333333 0.33333333333333 0.00000000000000 9.012 > 10 15 Be 0.66666666666667 0.33333333333333 0.00000000000000 9.012 > 10 16 Be 0.00000000000000 0.66666666666667 0.00000000000000 9.012 > 10 17 Be 0.33333333333333 0.66666666666667 0.00000000000000 9.012 > 10 18 Be 0.66666666666667 0.66666666666667 0.00000000000000 9.012 > 10 19 Be 0.16666666666667 0.00000000000000 0.75000000000000 9.012 > 1 20 Be 0.50000000000000 0.00000000000000 0.75000000000000 9.012 > 1 21 Be 0.83333333333333 0.00000000000000 0.75000000000000 9.012 > 1 22 Be 0.16666666666667 0.33333333333333 0.75000000000000 9.012 > 1 23 Be 0.50000000000000 0.33333333333333 0.75000000000000 9.012 > 1 24 Be 0.83333333333333 0.33333333333333 0.75000000000000 9.012 > 1 25 Be 0.16666666666667 0.66666666666667 0.75000000000000 9.012 > 1 26 Be 0.50000000000000 0.66666666666667 0.75000000000000 9.012 > 1 27 Be 0.83333333333333 0.66666666666667 0.75000000000000 9.012 > 1 28 Be 0.16666666666667 0.16666666666667 0.50000000000000 9.012 > 10 29 Be 0.50000000000000 0.16666666666667 0.50000000000000 9.012 > 10 30 Be 0.83333333333333 0.16666666666667 0.50000000000000 9.012 > 10 31 Be 0.16666666666667 0.50000000000000 0.50000000000000 9.012 > 10 32 Be 0.50000000000000 0.50000000000000 0.50000000000000 9.012 > 10 33 Be 0.83333333333333 0.50000000000000 0.50000000000000 9.012 > 10 34 Be 0.16666666666667 0.83333333333333 0.50000000000000 9.012 > 10 35 Be 0.50000000000000 0.83333333333333 0.50000000000000 9.012 > 10 36 Be 0.83333333333333 0.83333333333333 0.50000000000000 9.012 > 10 37 N 0.25000000000000 0.25127152907759 0.37500000000000 14.007 > 37 38 N 0.58333333333333 0.25127152907759 0.37500000000000 14.007 > 37 39 N 0.91666666666667 0.25127152907759 0.37500000000000 14.007 > 37 40 N 0.25000000000000 0.58460486241093 0.37500000000000 14.007 > 37 41 N 0.58333333333333 0.58460486241093 0.37500000000000 14.007 > 37 42 N 0.91666666666667 0.58460486241093 0.37500000000000 14.007 > 37 43 N 0.25000000000000 0.91793819574426 0.37500000000000 14.007 > 37 44 N 0.58333333333333 0.91793819574426 0.37500000000000 14.007 > 37 45 N 0.91666666666667 0.91793819574426 0.37500000000000 14.007 > 37 46 N 0.08333333333333 0.08206180425574 0.37500000000000 14.007 > 46 47 N 0.41666666666667 0.08206180425574 0.37500000000000 14.007 > 46 48 N 0.75000000000000 0.08206180425574 0.37500000000000 14.007 > 46 49 N 0.08333333333333 0.41539513758907 0.37500000000000 14.007 > 46 50 N 0.41666666666667 0.41539513758907 0.37500000000000 14.007 > 46 51 N 0.75000000000000 0.41539513758907 0.37500000000000 14.007 > 46 52 N 0.08333333333333 0.74872847092241 0.37500000000000 14.007 > 46 53 N 0.41666666666667 0.74872847092241 0.37500000000000 14.007 > 46 54 N 0.75000000000000 0.74872847092241 0.37500000000000 14.007 > 46 55 N 0.08460486241093 0.25000000000000 0.12500000000000 14.007 > 55 56 N 0.41793819574426 0.25000000000000 0.12500000000000 14.007 > 55 57 N 0.75127152907759 0.25000000000000 0.12500000000000 14.007 > 55 58 N 0.08460486241093 0.58333333333333 0.12500000000000 14.007 > 55 59 N 0.41793819574426 0.58333333333333 0.12500000000000 14.007 > 55 60 N 0.75127152907759 0.58333333333333 0.12500000000000 14.007 > 55 61 N 0.08460486241093 0.91666666666667 0.12500000000000 14.007 > 55 62 N 0.41793819574426 0.91666666666667 0.12500000000000 14.007 > 55 63 N 0.75127152907759 0.91666666666667 0.12500000000000 14.007 > 55 64 N 0.24872847092241 0.08333333333333 0.12500000000000 14.007 > 64 65 N 0.58206180425574 0.08333333333333 0.12500000000000 14.007 > 64 66 N 0.91539513758907 0.08333333333333 0.12500000000000 14.007 > 64 67 N 0.24872847092241 0.41666666666667 0.12500000000000 14.007 > 64 68 N 0.58206180425574 0.41666666666667 0.12500000000000 14.007 > 64 69 N 0.91539513758907 0.41666666666667 0.12500000000000 14.007 > 64 70 N 0.24872847092241 0.75000000000000 0.12500000000000 14.007 > 64 71 N 0.58206180425574 0.75000000000000 0.12500000000000 14.007 > 64 72 N 0.91539513758907 0.75000000000000 0.12500000000000 14.007 > 64 73 N 0.08333333333333 0.08460486241093 0.87500000000000 14.007 > 37 74 N 0.41666666666667 0.08460486241093 0.87500000000000 14.007 > 37 75 N 0.75000000000000 0.08460486241093 0.87500000000000 14.007 > 37 76 N 0.08333333333333 0.41793819574426 0.87500000000000 14.007 > 37 77 N 0.41666666666667 0.41793819574426 0.87500000000000 14.007 > 37 78 N 0.75000000000000 0.41793819574426 0.87500000000000 14.007 > 37 79 N 0.08333333333333 0.75127152907759 0.87500000000000 14.007 > 37 80 N 0.41666666666667 0.75127152907759 0.87500000000000 14.007 > 37 81 N 0.75000000000000 0.75127152907759 0.87500000000000 14.007 > 37 82 N 0.25000000000000 0.24872847092241 0.87500000000000 14.007 > 46 83 N 0.58333333333333 0.24872847092241 0.87500000000000 14.007 > 46 84 N 0.91666666666667 0.24872847092241 0.87500000000000 14.007 > 46 85 N 0.25000000000000 0.58206180425574 0.87500000000000 14.007 > 46 86 N 0.58333333333333 0.58206180425574 0.87500000000000 14.007 > 46 87 N 0.91666666666667 0.58206180425574 0.87500000000000 14.007 > 46 88 N 0.25000000000000 0.91539513758907 0.87500000000000 14.007 > 46 89 N 0.58333333333333 0.91539513758907 0.87500000000000 14.007 > 46 90 N 0.91666666666667 0.91539513758907 0.87500000000000 14.007 > 46 91 N 0.25127152907759 0.08333333333333 0.62500000000000 14.007 > 55 92 N 0.58460486241093 0.08333333333333 0.62500000000000 14.007 > 55 93 N 0.91793819574426 0.08333333333333 0.62500000000000 14.007 > 55 94 N 0.25127152907759 0.41666666666667 0.62500000000000 14.007 > 55 95 N 0.58460486241093 0.41666666666667 0.62500000000000 14.007 > 55 96 N 0.91793819574426 0.41666666666667 0.62500000000000 14.007 > 55 97 N 0.25127152907759 0.75000000000000 0.62500000000000 14.007 > 55 98 N 0.58460486241093 0.75000000000000 0.62500000000000 14.007 > 55 99 N 0.91793819574426 0.75000000000000 0.62500000000000 14.007 > 55 100 N 0.08206180425574 0.25000000000000 0.62500000000000 14.007 > 64 101 N 0.41539513758907 0.25000000000000 0.62500000000000 14.007 > 64 102 N 0.74872847092241 0.25000000000000 0.62500000000000 14.007 > 64 103 N 0.08206180425574 0.58333333333333 0.62500000000000 14.007 > 64 104 N 0.41539513758907 0.58333333333333 0.62500000000000 14.007 > 64 105 N 0.74872847092241 0.58333333333333 0.62500000000000 14.007 > 64 106 N 0.08206180425574 0.91666666666667 0.62500000000000 14.007 > 64 107 N 0.41539513758907 0.91666666666667 0.62500000000000 14.007 > 64 108 N 0.74872847092241 0.91666666666667 0.62500000000000 14.007 > 64 109 Si 0.16666666666667 0.00000000000000 0.25000000000000 28.085 > 109 110 Si 0.50000000000000 0.00000000000000 0.25000000000000 28.085 > 109 111 Si 0.83333333333333 0.00000000000000 0.25000000000000 28.085 > 109 112 Si 0.16666666666667 0.33333333333333 0.25000000000000 28.085 > 109 113 Si 0.50000000000000 0.33333333333333 0.25000000000000 28.085 > 109 114 Si 0.83333333333333 0.33333333333333 0.25000000000000 28.085 > 109 115 Si 0.16666666666667 0.66666666666667 0.25000000000000 28.085 > 109 116 Si 0.50000000000000 0.66666666666667 0.25000000000000 28.085 > 109 117 Si 0.83333333333333 0.66666666666667 0.25000000000000 28.085 > 109 118 Si 0.16666666666667 0.16666666666667 0.00000000000000 28.085 > 118 119 Si 0.50000000000000 0.16666666666667 0.00000000000000 28.085 > 118 120 Si 0.83333333333333 0.16666666666667 0.00000000000000 28.085 > 118 121 Si 0.16666666666667 0.50000000000000 0.00000000000000 28.085 > 118 122 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 > 118 123 Si 0.83333333333333 0.50000000000000 0.00000000000000 28.085 > 118 124 Si 0.16666666666667 0.83333333333333 0.00000000000000 28.085 > 118 125 Si 0.50000000000000 0.83333333333333 0.00000000000000 28.085 > 118 126 Si 0.83333333333333 0.83333333333333 0.00000000000000 28.085 > 118 127 Si 0.00000000000000 0.16666666666667 0.75000000000000 28.085 > 109 128 Si 0.33333333333333 0.16666666666667 0.75000000000000 28.085 > 109 129 Si 0.66666666666667 0.16666666666667 0.75000000000000 28.085 > 109 130 Si 0.00000000000000 0.50000000000000 0.75000000000000 28.085 > 109 131 Si 0.33333333333333 0.50000000000000 0.75000000000000 28.085 > 109 132 Si 0.66666666666667 0.50000000000000 0.75000000000000 28.085 > 109 133 Si 0.00000000000000 0.83333333333333 0.75000000000000 28.085 > 109 134 Si 0.33333333333333 0.83333333333333 0.75000000000000 28.085 > 109 135 Si 0.66666666666667 0.83333333333333 0.75000000000000 28.085 > 109 136 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 > 118 137 Si 0.33333333333333 0.00000000000000 0.50000000000000 28.085 > 118 138 Si 0.66666666666667 0.00000000000000 0.50000000000000 28.085 > 118 139 Si 0.00000000000000 0.33333333333333 0.50000000000000 28.085 > 118 140 Si 0.33333333333333 0.33333333333333 0.50000000000000 28.085 > 118 141 Si 0.66666666666667 0.33333333333333 0.50000000000000 28.085 > 118 142 Si 0.00000000000000 0.66666666666667 0.50000000000000 28.085 > 118 143 Si 0.33333333333333 0.66666666666667 0.50000000000000 28.085 > 118 144 Si 0.66666666666667 0.66666666666667 0.50000000000000 28.085 > 118 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5919579 0.0000000 0.0000000 0.0000000 4.5919579 0.0000000 0.0000000 0.0000000 4.6321794 -------------------------- Born effective charges -------------------------- 1 Be 1.7041591 0.1041912 0.0000000 -0.1041912 1.7041591 0.0000000 0.0000000 0.0000000 1.5764463 2 Be 1.7041591 -0.1041912 0.0000000 0.1041912 1.7041591 0.0000000 0.0000000 0.0000000 1.5764463 3 N -2.4310626 0.0000000 -0.2529096 0.0000000 -2.3175273 0.0000000 -0.2166894 0.0000000 -2.4352388 4 N -2.4310626 0.0000000 0.2529096 0.0000000 -2.3175273 0.0000000 0.2166894 0.0000000 -2.4352388 5 N -2.3175273 0.0000000 0.0000000 0.0000000 -2.4310626 -0.2529096 0.0000000 -0.2166894 -2.4352388 6 N -2.3175273 0.0000000 0.0000000 0.0000000 -2.4310626 0.2529096 0.0000000 0.2166894 -2.4352388 7 Si 3.0444308 -0.1696244 0.0000000 0.1696244 3.0444308 0.0000000 0.0000000 0.0000000 3.2940312 8 Si 3.0444308 0.1696244 0.0000000 -0.1696244 3.0444308 0.0000000 0.0000000 0.0000000 3.2940312 ---------------------------------------------------------------------------- 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[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 109, 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: -0.00000000 (xzy) -0.00000000 (xzy) -0.00000000 (xyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:39:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:39:42]------------------------- 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): [3 3 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I-42d (122) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.025653240000000 2.025653240000000 4.064988015000000 b 2.025653240000000 -2.025653240000000 4.064988015000000 c 2.025653240000000 2.025653240000000 -4.064988015000000 Atomic positions (fractional): 1 Be 0.75000000000000 0.25000000000000 0.50000000000000 9.012 2 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 3 N 0.12881458723278 0.12500000000000 0.50381458723278 14.007 4 N 0.62118541276722 0.62500000000000 0.49618541276722 14.007 5 N 0.87500000000000 0.37881458723278 0.00381458723278 14.007 6 N 0.37500000000000 0.87118541276722 0.99618541276722 14.007 7 Si 0.25000000000000 0.75000000000000 0.50000000000000 28.085 8 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.153919439999997 0.000000000000000 0.000000000000000 b 0.000000000000000 12.153919439999997 0.000000000000000 c 0.000000000000000 0.000000000000000 8.129976030000000 Atomic positions (fractional): 1 Be 0.00000000000000 0.16666666666667 0.25000000000000 9.012 > 1 2 Be 0.33333333333333 0.16666666666667 0.25000000000000 9.012 > 1 3 Be 0.66666666666667 0.16666666666667 0.25000000000000 9.012 > 1 4 Be 0.00000000000000 0.50000000000000 0.25000000000000 9.012 > 1 5 Be 0.33333333333333 0.50000000000000 0.25000000000000 9.012 > 1 6 Be 0.66666666666667 0.50000000000000 0.25000000000000 9.012 > 1 7 Be 0.00000000000000 0.83333333333333 0.25000000000000 9.012 > 1 8 Be 0.33333333333333 0.83333333333333 0.25000000000000 9.012 > 1 9 Be 0.66666666666667 0.83333333333333 0.25000000000000 9.012 > 1 10 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 > 10 11 Be 0.33333333333333 0.00000000000000 0.00000000000000 9.012 > 10 12 Be 0.66666666666667 0.00000000000000 0.00000000000000 9.012 > 10 13 Be 0.00000000000000 0.33333333333333 0.00000000000000 9.012 > 10 14 Be 0.33333333333333 0.33333333333333 0.00000000000000 9.012 > 10 15 Be 0.66666666666667 0.33333333333333 0.00000000000000 9.012 > 10 16 Be 0.00000000000000 0.66666666666667 0.00000000000000 9.012 > 10 17 Be 0.33333333333333 0.66666666666667 0.00000000000000 9.012 > 10 18 Be 0.66666666666667 0.66666666666667 0.00000000000000 9.012 > 10 19 Be 0.16666666666667 0.00000000000000 0.75000000000000 9.012 > 1 20 Be 0.50000000000000 0.00000000000000 0.75000000000000 9.012 > 1 21 Be 0.83333333333333 0.00000000000000 0.75000000000000 9.012 > 1 22 Be 0.16666666666667 0.33333333333333 0.75000000000000 9.012 > 1 23 Be 0.50000000000000 0.33333333333333 0.75000000000000 9.012 > 1 24 Be 0.83333333333333 0.33333333333333 0.75000000000000 9.012 > 1 25 Be 0.16666666666667 0.66666666666667 0.75000000000000 9.012 > 1 26 Be 0.50000000000000 0.66666666666667 0.75000000000000 9.012 > 1 27 Be 0.83333333333333 0.66666666666667 0.75000000000000 9.012 > 1 28 Be 0.16666666666667 0.16666666666667 0.50000000000000 9.012 > 10 29 Be 0.50000000000000 0.16666666666667 0.50000000000000 9.012 > 10 30 Be 0.83333333333333 0.16666666666667 0.50000000000000 9.012 > 10 31 Be 0.16666666666667 0.50000000000000 0.50000000000000 9.012 > 10 32 Be 0.50000000000000 0.50000000000000 0.50000000000000 9.012 > 10 33 Be 0.83333333333333 0.50000000000000 0.50000000000000 9.012 > 10 34 Be 0.16666666666667 0.83333333333333 0.50000000000000 9.012 > 10 35 Be 0.50000000000000 0.83333333333333 0.50000000000000 9.012 > 10 36 Be 0.83333333333333 0.83333333333333 0.50000000000000 9.012 > 10 37 N 0.25000000000000 0.25127152907759 0.37500000000000 14.007 > 37 38 N 0.58333333333333 0.25127152907759 0.37500000000000 14.007 > 37 39 N 0.91666666666667 0.25127152907759 0.37500000000000 14.007 > 37 40 N 0.25000000000000 0.58460486241093 0.37500000000000 14.007 > 37 41 N 0.58333333333333 0.58460486241093 0.37500000000000 14.007 > 37 42 N 0.91666666666667 0.58460486241093 0.37500000000000 14.007 > 37 43 N 0.25000000000000 0.91793819574426 0.37500000000000 14.007 > 37 44 N 0.58333333333333 0.91793819574426 0.37500000000000 14.007 > 37 45 N 0.91666666666667 0.91793819574426 0.37500000000000 14.007 > 37 46 N 0.08333333333333 0.08206180425574 0.37500000000000 14.007 > 46 47 N 0.41666666666667 0.08206180425574 0.37500000000000 14.007 > 46 48 N 0.75000000000000 0.08206180425574 0.37500000000000 14.007 > 46 49 N 0.08333333333333 0.41539513758907 0.37500000000000 14.007 > 46 50 N 0.41666666666667 0.41539513758907 0.37500000000000 14.007 > 46 51 N 0.75000000000000 0.41539513758907 0.37500000000000 14.007 > 46 52 N 0.08333333333333 0.74872847092241 0.37500000000000 14.007 > 46 53 N 0.41666666666667 0.74872847092241 0.37500000000000 14.007 > 46 54 N 0.75000000000000 0.74872847092241 0.37500000000000 14.007 > 46 55 N 0.08460486241093 0.25000000000000 0.12500000000000 14.007 > 55 56 N 0.41793819574426 0.25000000000000 0.12500000000000 14.007 > 55 57 N 0.75127152907759 0.25000000000000 0.12500000000000 14.007 > 55 58 N 0.08460486241093 0.58333333333333 0.12500000000000 14.007 > 55 59 N 0.41793819574426 0.58333333333333 0.12500000000000 14.007 > 55 60 N 0.75127152907759 0.58333333333333 0.12500000000000 14.007 > 55 61 N 0.08460486241093 0.91666666666667 0.12500000000000 14.007 > 55 62 N 0.41793819574426 0.91666666666667 0.12500000000000 14.007 > 55 63 N 0.75127152907759 0.91666666666667 0.12500000000000 14.007 > 55 64 N 0.24872847092241 0.08333333333333 0.12500000000000 14.007 > 64 65 N 0.58206180425574 0.08333333333333 0.12500000000000 14.007 > 64 66 N 0.91539513758907 0.08333333333333 0.12500000000000 14.007 > 64 67 N 0.24872847092241 0.41666666666667 0.12500000000000 14.007 > 64 68 N 0.58206180425574 0.41666666666667 0.12500000000000 14.007 > 64 69 N 0.91539513758907 0.41666666666667 0.12500000000000 14.007 > 64 70 N 0.24872847092241 0.75000000000000 0.12500000000000 14.007 > 64 71 N 0.58206180425574 0.75000000000000 0.12500000000000 14.007 > 64 72 N 0.91539513758907 0.75000000000000 0.12500000000000 14.007 > 64 73 N 0.08333333333333 0.08460486241093 0.87500000000000 14.007 > 37 74 N 0.41666666666667 0.08460486241093 0.87500000000000 14.007 > 37 75 N 0.75000000000000 0.08460486241093 0.87500000000000 14.007 > 37 76 N 0.08333333333333 0.41793819574426 0.87500000000000 14.007 > 37 77 N 0.41666666666667 0.41793819574426 0.87500000000000 14.007 > 37 78 N 0.75000000000000 0.41793819574426 0.87500000000000 14.007 > 37 79 N 0.08333333333333 0.75127152907759 0.87500000000000 14.007 > 37 80 N 0.41666666666667 0.75127152907759 0.87500000000000 14.007 > 37 81 N 0.75000000000000 0.75127152907759 0.87500000000000 14.007 > 37 82 N 0.25000000000000 0.24872847092241 0.87500000000000 14.007 > 46 83 N 0.58333333333333 0.24872847092241 0.87500000000000 14.007 > 46 84 N 0.91666666666667 0.24872847092241 0.87500000000000 14.007 > 46 85 N 0.25000000000000 0.58206180425574 0.87500000000000 14.007 > 46 86 N 0.58333333333333 0.58206180425574 0.87500000000000 14.007 > 46 87 N 0.91666666666667 0.58206180425574 0.87500000000000 14.007 > 46 88 N 0.25000000000000 0.91539513758907 0.87500000000000 14.007 > 46 89 N 0.58333333333333 0.91539513758907 0.87500000000000 14.007 > 46 90 N 0.91666666666667 0.91539513758907 0.87500000000000 14.007 > 46 91 N 0.25127152907759 0.08333333333333 0.62500000000000 14.007 > 55 92 N 0.58460486241093 0.08333333333333 0.62500000000000 14.007 > 55 93 N 0.91793819574426 0.08333333333333 0.62500000000000 14.007 > 55 94 N 0.25127152907759 0.41666666666667 0.62500000000000 14.007 > 55 95 N 0.58460486241093 0.41666666666667 0.62500000000000 14.007 > 55 96 N 0.91793819574426 0.41666666666667 0.62500000000000 14.007 > 55 97 N 0.25127152907759 0.75000000000000 0.62500000000000 14.007 > 55 98 N 0.58460486241093 0.75000000000000 0.62500000000000 14.007 > 55 99 N 0.91793819574426 0.75000000000000 0.62500000000000 14.007 > 55 100 N 0.08206180425574 0.25000000000000 0.62500000000000 14.007 > 64 101 N 0.41539513758907 0.25000000000000 0.62500000000000 14.007 > 64 102 N 0.74872847092241 0.25000000000000 0.62500000000000 14.007 > 64 103 N 0.08206180425574 0.58333333333333 0.62500000000000 14.007 > 64 104 N 0.41539513758907 0.58333333333333 0.62500000000000 14.007 > 64 105 N 0.74872847092241 0.58333333333333 0.62500000000000 14.007 > 64 106 N 0.08206180425574 0.91666666666667 0.62500000000000 14.007 > 64 107 N 0.41539513758907 0.91666666666667 0.62500000000000 14.007 > 64 108 N 0.74872847092241 0.91666666666667 0.62500000000000 14.007 > 64 109 Si 0.16666666666667 0.00000000000000 0.25000000000000 28.085 > 109 110 Si 0.50000000000000 0.00000000000000 0.25000000000000 28.085 > 109 111 Si 0.83333333333333 0.00000000000000 0.25000000000000 28.085 > 109 112 Si 0.16666666666667 0.33333333333333 0.25000000000000 28.085 > 109 113 Si 0.50000000000000 0.33333333333333 0.25000000000000 28.085 > 109 114 Si 0.83333333333333 0.33333333333333 0.25000000000000 28.085 > 109 115 Si 0.16666666666667 0.66666666666667 0.25000000000000 28.085 > 109 116 Si 0.50000000000000 0.66666666666667 0.25000000000000 28.085 > 109 117 Si 0.83333333333333 0.66666666666667 0.25000000000000 28.085 > 109 118 Si 0.16666666666667 0.16666666666667 0.00000000000000 28.085 > 118 119 Si 0.50000000000000 0.16666666666667 0.00000000000000 28.085 > 118 120 Si 0.83333333333333 0.16666666666667 0.00000000000000 28.085 > 118 121 Si 0.16666666666667 0.50000000000000 0.00000000000000 28.085 > 118 122 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 > 118 123 Si 0.83333333333333 0.50000000000000 0.00000000000000 28.085 > 118 124 Si 0.16666666666667 0.83333333333333 0.00000000000000 28.085 > 118 125 Si 0.50000000000000 0.83333333333333 0.00000000000000 28.085 > 118 126 Si 0.83333333333333 0.83333333333333 0.00000000000000 28.085 > 118 127 Si 0.00000000000000 0.16666666666667 0.75000000000000 28.085 > 109 128 Si 0.33333333333333 0.16666666666667 0.75000000000000 28.085 > 109 129 Si 0.66666666666667 0.16666666666667 0.75000000000000 28.085 > 109 130 Si 0.00000000000000 0.50000000000000 0.75000000000000 28.085 > 109 131 Si 0.33333333333333 0.50000000000000 0.75000000000000 28.085 > 109 132 Si 0.66666666666667 0.50000000000000 0.75000000000000 28.085 > 109 133 Si 0.00000000000000 0.83333333333333 0.75000000000000 28.085 > 109 134 Si 0.33333333333333 0.83333333333333 0.75000000000000 28.085 > 109 135 Si 0.66666666666667 0.83333333333333 0.75000000000000 28.085 > 109 136 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 > 118 137 Si 0.33333333333333 0.00000000000000 0.50000000000000 28.085 > 118 138 Si 0.66666666666667 0.00000000000000 0.50000000000000 28.085 > 118 139 Si 0.00000000000000 0.33333333333333 0.50000000000000 28.085 > 118 140 Si 0.33333333333333 0.33333333333333 0.50000000000000 28.085 > 118 141 Si 0.66666666666667 0.33333333333333 0.50000000000000 28.085 > 118 142 Si 0.00000000000000 0.66666666666667 0.50000000000000 28.085 > 118 143 Si 0.33333333333333 0.66666666666667 0.50000000000000 28.085 > 118 144 Si 0.66666666666667 0.66666666666667 0.50000000000000 28.085 > 118 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5919579 0.0000000 0.0000000 0.0000000 4.5919579 0.0000000 0.0000000 0.0000000 4.6321794 -------------------------- Born effective charges -------------------------- 1 Be 1.7041591 0.1041912 0.0000000 -0.1041912 1.7041591 0.0000000 0.0000000 0.0000000 1.5764463 2 Be 1.7041591 -0.1041912 0.0000000 0.1041912 1.7041591 0.0000000 0.0000000 0.0000000 1.5764463 3 N -2.4310626 0.0000000 -0.2529096 0.0000000 -2.3175273 0.0000000 -0.2166894 0.0000000 -2.4352388 4 N -2.4310626 0.0000000 0.2529096 0.0000000 -2.3175273 0.0000000 0.2166894 0.0000000 -2.4352388 5 N -2.3175273 0.0000000 0.0000000 0.0000000 -2.4310626 -0.2529096 0.0000000 -0.2166894 -2.4352388 6 N -2.3175273 0.0000000 0.0000000 0.0000000 -2.4310626 0.2529096 0.0000000 0.2166894 -2.4352388 7 Si 3.0444308 -0.1696244 0.0000000 0.1696244 3.0444308 0.0000000 0.0000000 0.0000000 3.2940312 8 Si 3.0444308 0.1696244 0.0000000 -0.1696244 3.0444308 0.0000000 0.0000000 0.0000000 3.2940312 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xzy) -0.00000000 (xzy) -0.00000000 (xyz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 6 12 24 ] Grid generation matrix: [ 0 12 12 ] [ 12 0 12 ] [ 6 6 0 ] 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: 1.02, Number of G-points: 297, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/175) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 175 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 13.007 ( 0.000 0.000 0.000) 0.000 13.007 ( -0.000 -0.000 0.000) 0.000 14.801 ( 0.000 0.000 0.000) 0.000 14.996 ( 0.000 0.000 0.000) 0.000 15.767 ( 0.000 0.000 0.000) 0.000 15.767 ( 0.000 0.000 0.000) 0.000 19.388 ( 0.000 0.000 0.000) 0.000 19.605 ( 0.000 0.000 0.000) 0.000 19.605 ( 0.000 0.000 0.000) 0.000 20.409 ( -0.000 -0.000 0.000) 0.000 20.409 ( 0.000 0.000 0.000) 0.000 20.606 ( 0.000 0.000 0.000) 0.000 21.217 ( 0.000 -0.000 0.000) 0.000 22.688 ( 0.000 0.000 0.000) 0.000 22.759 ( 0.000 0.000 0.000) 0.000 22.759 ( -0.000 -0.000 0.000) 0.000 24.638 ( 0.000 0.000 0.000) 0.000 25.800 ( -0.000 -0.000 0.000) 0.000 25.800 ( 0.000 0.000 0.000) 0.000 25.882 ( 0.000 0.000 0.000) 0.000 26.530 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/175) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.079 ( 76.361 0.000 -8.084) 76.788 3.884 ( 70.122 -0.000 41.845) 81.658 5.355 ( 87.625 -0.000 71.165) 112.883 12.687 ( -17.723 0.000 -11.136) 20.931 13.263 ( 14.948 0.000 -12.450) 19.454 13.643 ( -35.492 -0.000 -3.158) 35.632 14.244 ( -11.029 -0.000 -3.396) 11.540 15.950 ( 2.438 0.000 -24.913) 25.032 16.528 ( 20.783 0.000 -2.586) 20.943 18.546 ( -23.348 -0.000 -5.822) 24.063 19.431 ( -0.408 0.000 -4.675) 4.693 19.688 ( -8.228 0.000 -11.582) 14.207 20.194 ( -14.663 -0.000 16.532) 22.098 20.423 ( -4.945 -0.000 2.649) 5.610 21.177 ( -6.588 -0.000 20.769) 21.788 21.931 ( 7.133 0.000 3.028) 7.749 22.127 ( -5.783 0.000 -16.756) 17.726 22.756 ( -3.781 -0.000 7.149) 8.088 24.136 ( -3.575 0.000 -11.601) 12.140 24.866 ( 17.396 0.000 0.974) 17.423 25.733 ( -1.521 -0.000 3.142) 3.491 26.374 ( 2.977 -0.000 20.987) 21.198 26.509 ( 13.543 0.000 -9.262) 16.408 31.208 ( -15.952 -0.000 3.214) 16.272 ======================= Grid point 2 (3/175) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 482 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.847 ( 64.298 0.000 -7.930) 64.785 7.316 ( 54.292 -0.000 37.342) 65.895 9.738 ( 55.967 -0.000 49.971) 75.030 11.530 ( -33.156 -0.000 6.377) 33.764 12.146 ( -19.365 -0.000 -1.500) 19.423 13.365 ( 0.775 0.000 -27.453) 27.463 14.188 ( 6.373 0.000 -8.825) 10.885 15.464 ( 9.554 0.000 -22.587) 24.525 16.803 ( -16.736 -0.000 -5.232) 17.535 17.355 ( -17.929 0.000 -8.613) 19.890 19.044 ( -11.731 -0.000 -2.212) 11.938 19.528 ( 4.857 0.000 -1.086) 4.977 19.864 ( -7.766 0.000 -8.106) 11.225 19.959 ( -10.076 -0.000 -0.461) 10.087 21.070 ( -10.286 -0.000 8.269) 13.197 21.355 ( -5.628 0.000 -3.124) 6.437 22.466 ( 4.446 0.000 -0.024) 4.446 22.702 ( -5.882 -0.000 7.304) 9.378 23.819 ( -2.431 0.000 -7.540) 7.922 25.520 ( 3.376 -0.000 5.947) 6.839 25.983 ( 7.955 -0.000 6.562) 10.313 26.645 ( 2.446 -0.000 1.455) 2.846 27.309 ( 19.042 -0.000 19.121) 26.986 30.341 ( -20.906 0.000 -11.985) 24.097 ======================= Grid point 3 (4/175) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 241 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.464 ( 0.000 0.000 -0.000) 0.000 9.202 ( 0.000 -0.000 0.000) 0.000 10.264 ( 0.000 0.000 -0.000) 0.000 11.471 ( 0.000 0.000 -0.000) 0.000 11.928 ( 0.000 -0.000 0.000) 0.000 12.979 ( 0.000 -0.000 0.000) 0.000 14.525 ( 0.000 -0.000 0.000) 0.000 15.527 ( 0.000 -0.000 0.000) 0.000 15.886 ( 0.000 -0.000 0.000) 0.000 16.716 ( 0.000 0.000 0.000) 0.000 18.776 ( 0.000 -0.000 0.000) 0.000 19.511 ( 0.000 0.000 -0.000) 0.000 19.644 ( 0.000 0.000 -0.000) 0.000 19.883 ( 0.000 0.000 0.000) 0.000 20.981 ( 0.000 -0.000 0.000) 0.000 21.148 ( -0.000 0.000 -0.000) 0.000 22.534 ( 0.000 0.000 0.000) 0.000 22.640 ( 0.000 0.000 -0.000) 0.000 23.675 ( 0.000 0.000 -0.000) 0.000 25.621 ( 0.000 0.000 0.000) 0.000 26.219 ( 0.000 0.000 -0.000) 0.000 26.699 ( 0.000 0.000 0.000) 0.000 28.351 ( 0.000 0.000 -0.000) 0.000 29.388 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 7 (5/175) ======================= q-point: ( 0.00 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 40.246 40.246 0.000) 56.916 2.540 ( 60.959 60.959 0.000) 86.209 3.537 ( 83.536 83.536 0.000) 118.137 12.868 ( -7.429 -7.429 0.000) 10.506 13.308 ( 11.362 11.362 0.000) 16.068 14.130 ( -23.074 -23.074 0.000) 32.632 14.454 ( -19.707 -19.707 0.000) 27.869 16.193 ( 2.220 2.220 0.000) 3.140 16.225 ( 13.437 13.437 0.000) 19.002 18.842 ( -15.716 -15.716 0.000) 22.226 19.607 ( -3.543 -3.543 0.000) 5.010 19.934 ( 6.801 6.801 0.000) 9.619 20.194 ( -9.786 -9.786 0.000) 13.840 20.483 ( 3.321 3.321 0.000) 4.697 20.785 ( 1.445 1.445 0.000) 2.044 21.670 ( 12.506 12.506 0.000) 17.687 22.429 ( -9.412 -9.412 0.000) 13.310 22.796 ( -1.490 -1.490 0.000) 2.108 24.487 ( 0.628 0.628 0.000) 0.889 24.555 ( -3.314 -3.314 0.000) 4.686 25.757 ( -0.187 -0.187 0.000) 0.265 26.048 ( 5.685 5.685 0.000) 8.040 26.561 ( 1.313 1.313 0.000) 1.857 31.234 ( -5.081 -5.081 0.000) 7.186 ======================= Grid point 8 (6/175) ======================= q-point: ( 0.00 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.753 ( 73.781 -4.786 3.060) 73.999 5.228 ( 68.328 11.999 5.739) 69.611 7.713 ( 73.947 46.139 51.885) 101.435 12.065 ( -29.445 -8.332 -3.510) 30.802 12.657 ( -33.200 -15.289 -3.038) 36.677 13.527 ( 1.481 -9.420 -8.097) 12.510 14.122 ( 3.860 -9.736 -6.196) 12.169 15.857 ( -7.577 -10.606 -14.057) 19.171 16.681 ( 3.948 -6.943 -0.452) 8.000 18.108 ( -15.630 4.906 -9.475) 18.925 19.390 ( -4.697 -1.048 -1.482) 5.035 19.576 ( -4.027 10.419 -7.494) 13.451 20.065 ( -8.588 11.248 4.945) 14.991 20.371 ( -6.785 2.579 -2.430) 7.654 21.115 ( 0.425 0.592 1.365) 1.547 21.618 ( -17.129 -6.609 -7.001) 19.649 22.312 ( 8.406 1.559 4.797) 9.803 22.663 ( -4.459 0.949 6.396) 7.855 24.092 ( -7.136 4.731 -4.293) 9.578 25.074 ( 15.783 -10.850 5.095) 19.819 25.803 ( 1.933 4.852 4.327) 6.782 26.462 ( 3.475 1.500 13.462) 13.984 26.729 ( 11.854 -3.902 -2.320) 12.693 30.804 ( -16.215 -8.012 -3.556) 18.433 ======================= Grid point 9 (7/175) ======================= q-point: ( 0.00 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.166 ( 46.809 10.626 -14.270) 50.076 8.138 ( 47.104 -16.558 25.175) 55.917 10.448 ( -0.007 -6.553 11.149) 12.933 10.921 ( -17.865 7.338 28.883) 34.745 11.881 ( -4.588 -18.308 -9.233) 21.012 13.242 ( 3.801 -7.336 -14.748) 16.905 14.156 ( 10.415 -10.748 4.531) 15.638 15.591 ( 2.782 -15.665 -4.104) 16.431 16.053 ( -22.563 -16.680 -14.779) 31.714 17.239 ( -16.402 24.020 -13.418) 32.032 19.022 ( -7.429 15.689 2.864) 17.594 19.639 ( 1.539 4.215 -0.148) 4.490 19.713 ( -5.867 2.477 -6.654) 9.211 20.033 ( 0.816 10.972 -1.981) 11.180 20.902 ( -5.932 0.172 9.163) 10.917 21.268 ( -2.291 1.242 -4.506) 5.205 22.524 ( 1.168 0.687 0.677) 1.515 22.645 ( -2.727 3.392 5.829) 7.274 23.768 ( -4.476 1.266 -2.864) 5.463 25.534 ( 4.888 -5.330 -0.576) 7.255 26.118 ( 5.123 -0.483 2.862) 5.888 26.654 ( 0.513 -1.826 1.840) 2.642 27.682 ( 22.289 -6.654 17.785) 29.281 29.819 ( -20.995 -8.723 -13.153) 26.266 ======================= Grid point 10 (8/175) ======================= q-point: ( 0.00 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.035 ( -42.144 9.091 -2.525) 43.187 8.681 ( -31.868 -18.545 -25.879) 45.047 10.540 ( 15.395 -7.890 -1.921) 17.406 11.467 ( 7.675 -10.843 -1.819) 13.408 11.665 ( 19.469 -11.502 -1.813) 22.685 12.974 ( -10.857 -0.585 5.572) 12.217 14.398 ( -19.707 7.707 -17.691) 27.582 15.179 ( -9.439 -14.285 27.505) 32.399 15.976 ( 17.817 -15.463 0.867) 23.607 17.008 ( 14.876 10.615 8.178) 20.022 18.919 ( -3.876 13.555 13.488) 19.512 19.610 ( 0.897 5.585 -1.547) 5.864 19.670 ( 0.930 3.386 0.203) 3.517 20.034 ( 2.893 11.229 -1.069) 11.645 21.037 ( 3.595 -1.338 -1.413) 4.088 21.197 ( 4.543 -0.054 -0.241) 4.550 22.521 ( -1.839 0.811 1.001) 2.245 22.734 ( 4.798 4.077 -2.432) 6.750 23.695 ( 1.230 3.280 3.887) 5.232 25.597 ( 1.473 -4.611 -5.997) 7.707 26.180 ( -2.020 -1.519 -3.015) 3.935 26.680 ( 0.399 -1.960 -1.645) 2.590 28.051 ( -17.712 -7.082 -16.520) 25.235 29.535 ( 19.171 -8.106 13.515) 24.817 ======================= Grid point 11 (9/175) ======================= q-point: ( 0.00 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.750 ( -57.141 20.615 -8.434) 61.328 5.850 ( -59.837 -19.432 -44.172) 76.871 8.890 ( -61.140 38.058 -59.587) 93.472 11.949 ( 16.819 -7.271 8.131) 20.046 12.543 ( 22.485 -20.204 8.692) 31.454 13.309 ( 8.381 3.015 12.256) 15.151 13.968 ( -2.568 -7.630 7.612) 11.079 15.471 ( 2.300 5.557 22.983) 23.757 16.593 ( -7.076 -19.008 9.175) 22.261 17.819 ( 15.979 2.576 18.600) 24.656 19.335 ( 8.676 1.936 3.082) 9.409 19.487 ( -2.192 5.823 1.777) 6.471 20.017 ( 7.178 -2.726 9.313) 12.070 20.374 ( 16.965 10.116 -5.426) 20.484 21.230 ( 6.550 -7.298 -5.444) 11.216 21.454 ( 8.027 -3.038 5.404) 10.142 22.396 ( -4.948 5.643 -2.631) 7.953 22.803 ( 2.220 -2.125 -6.197) 6.917 23.983 ( 6.342 11.475 5.570) 14.245 25.252 ( -14.210 -10.810 -11.848) 21.428 25.890 ( -3.791 4.527 -3.996) 7.130 26.521 ( -9.865 -0.116 5.550) 11.319 27.008 ( -4.595 -3.358 -26.662) 27.263 30.684 ( 20.457 -8.089 8.250) 23.494 ======================= Grid point 12 (10/175) ======================= q-point: ( 0.00 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( -26.668 26.668 -58.787) 69.844 2.472 ( -47.605 47.605 -20.880) 70.487 4.585 ( -71.102 71.102 -74.308) 125.031 12.745 ( 7.308 -7.308 11.832) 15.710 13.162 ( -9.357 9.357 13.821) 19.135 14.075 ( 19.972 -19.972 5.321) 28.741 14.421 ( 19.981 -19.981 4.250) 28.575 16.007 ( -5.945 5.945 15.784) 17.884 16.088 ( -14.465 14.465 13.084) 24.283 18.799 ( 15.608 -15.608 4.929) 22.617 19.496 ( 0.467 -0.467 7.740) 7.768 19.726 ( -5.204 5.204 13.855) 15.688 20.278 ( 10.878 -10.878 -9.770) 18.223 20.752 ( -1.807 1.807 -19.279) 19.447 21.137 ( 13.762 -13.762 -21.003) 28.634 21.844 ( -11.112 11.112 -15.859) 22.326 22.225 ( 8.895 -8.895 19.282) 23.023 22.789 ( 1.554 -1.554 -0.861) 2.361 24.323 ( -10.007 10.007 12.143) 18.648 24.440 ( -0.939 0.939 7.450) 7.567 25.818 ( -0.880 0.880 -1.940) 2.305 26.266 ( -10.652 10.652 17.700) 23.243 26.358 ( -1.316 1.316 -29.285) 29.344 31.414 ( 13.994 -13.994 -9.083) 21.776 ======================= Grid point 13 (11/175) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.306 ( 39.350 39.350 0.000) 55.649 4.970 ( 56.455 56.455 0.000) 79.840 6.767 ( 71.990 71.990 0.000) 101.809 12.348 ( -17.697 -17.697 0.000) 25.027 12.880 ( -27.932 -27.932 0.000) 39.501 13.671 ( -17.159 -17.159 0.000) 24.266 13.833 ( -1.473 -1.473 0.000) 2.084 15.858 ( -18.765 -18.765 0.000) 26.538 16.653 ( 9.207 9.207 0.000) 13.021 18.391 ( -4.158 -4.158 0.000) 5.881 19.390 ( -3.177 -3.177 0.000) 4.493 20.095 ( 1.607 1.607 0.000) 2.273 20.096 ( 1.126 1.126 0.000) 1.592 20.664 ( 5.498 5.498 0.000) 7.775 20.948 ( 7.121 7.121 0.000) 10.071 21.875 ( -17.756 -17.756 0.000) 25.111 22.064 ( 6.469 6.469 0.000) 9.148 22.706 ( -1.355 -1.355 0.000) 1.917 24.421 ( -3.034 -3.034 0.000) 4.291 24.534 ( 1.606 1.606 0.000) 2.271 25.794 ( 1.845 1.845 0.000) 2.609 26.283 ( 5.243 5.243 0.000) 7.415 26.611 ( 0.735 0.735 0.000) 1.039 30.892 ( -11.760 -11.760 0.000) 16.631 ======================= Grid point 14 (12/175) ======================= q-point: ( 0.00 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.990 ( 66.407 -8.522 15.158) 68.646 7.041 ( 53.736 31.286 -19.967) 65.307 9.689 ( 32.632 23.696 26.562) 48.290 11.278 ( -30.255 -5.838 6.740) 31.542 11.802 ( -14.347 -14.425 1.777) 20.422 13.054 ( -8.921 -28.625 -5.753) 30.530 13.583 ( -7.513 -32.518 3.893) 33.601 15.123 ( -13.170 -26.654 7.077) 30.561 16.690 ( -5.200 1.865 -25.938) 26.520 18.229 ( -0.298 20.370 -7.294) 21.638 19.413 ( 0.010 5.859 -2.964) 6.566 19.744 ( -2.027 9.223 -3.723) 10.151 20.131 ( -4.700 2.784 -3.703) 6.600 20.339 ( -11.217 18.748 0.189) 21.848 20.962 ( -16.174 -4.335 3.453) 17.097 21.398 ( 6.974 2.153 -7.954) 10.795 22.434 ( 2.277 0.351 8.060) 8.382 22.672 ( -0.802 6.526 3.598) 7.495 24.008 ( -10.063 4.190 -0.054) 10.901 25.134 ( 14.526 -13.074 2.246) 19.672 25.965 ( 5.455 3.039 2.793) 6.840 26.535 ( 1.045 0.264 6.259) 6.351 26.851 ( 13.279 -9.111 5.089) 16.889 30.185 ( -19.867 -16.207 -5.889) 26.307 ======================= Grid point 15 (13/175) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.867 ( -3.497 9.265 -9.702) 13.864 8.641 ( 27.150 -11.791 2.765) 29.728 10.272 ( 7.986 -9.215 7.111) 14.116 10.605 ( -19.268 -20.411 4.214) 28.384 11.183 ( 9.285 -14.256 -2.107) 17.143 12.926 ( -1.806 -30.442 -8.058) 31.542 14.007 ( 1.802 -35.195 27.656) 44.798 15.358 ( -9.290 -7.147 -25.368) 27.945 15.650 ( 15.243 9.524 8.673) 19.957 17.469 ( -19.775 30.141 -18.250) 40.405 19.204 ( -11.591 17.063 11.325) 23.532 19.723 ( 0.538 4.721 0.623) 4.793 19.852 ( 0.609 11.484 -6.211) 13.070 20.238 ( -0.285 7.665 0.165) 7.672 20.813 ( -2.126 -2.569 14.553) 14.930 21.341 ( 0.164 6.930 -9.129) 11.463 22.536 ( -2.292 1.204 4.348) 5.061 22.778 ( 2.889 8.565 2.037) 9.266 23.737 ( 0.142 4.067 -1.306) 4.274 25.507 ( 5.769 -8.715 -4.699) 11.459 26.183 ( 3.218 -1.173 -2.806) 4.427 26.611 ( 1.636 -3.454 0.104) 3.823 27.906 ( 17.488 -12.985 13.189) 25.464 29.155 ( -15.479 -17.069 -8.879) 24.693 ======================= Grid point 16 (14/175) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.432 ( -41.495 21.634 -11.456) 48.178 7.370 ( -46.053 -19.143 -35.614) 61.284 10.449 ( 4.335 -12.184 -4.572) 13.716 11.375 ( 16.408 -17.918 11.811) 27.014 12.219 ( 2.137 0.928 -19.345) 19.485 12.714 ( 23.538 -4.481 7.110) 24.993 14.076 ( -17.690 -1.337 -17.052) 24.607 14.955 ( 3.635 -2.865 28.870) 29.239 15.677 ( 3.981 -29.742 1.759) 30.059 17.578 ( -0.116 21.294 20.733) 29.721 19.175 ( 4.426 11.274 11.390) 16.626 19.668 ( -3.262 6.444 0.381) 7.232 19.814 ( -0.480 6.146 3.108) 6.904 20.376 ( 7.102 8.360 -0.810) 10.999 20.949 ( -1.967 -9.105 7.406) 11.901 21.286 ( 4.387 -1.665 -2.940) 5.537 22.529 ( -0.142 3.117 1.891) 3.648 22.847 ( -1.876 -0.238 -0.134) 1.896 24.059 ( 15.255 17.586 -3.494) 23.541 25.422 ( -4.365 -11.830 -9.717) 15.919 26.113 ( -2.539 0.879 -3.923) 4.755 26.625 ( -3.423 -1.110 -1.891) 4.065 27.522 ( -10.672 -11.168 -21.794) 26.713 29.747 ( 23.341 -15.089 14.400) 31.303 ======================= Grid point 17 (15/175) ======================= q-point: ( 0.00 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.547 ( -23.441 23.441 -50.862) 60.712 4.693 ( -39.923 39.923 -18.385) 59.377 8.678 ( -54.496 54.496 -61.721) 98.737 12.017 ( 9.997 -9.997 14.817) 20.481 12.459 ( 20.142 -20.142 16.289) 32.814 13.618 ( 14.167 -14.167 1.343) 20.081 13.810 ( -2.709 2.709 5.666) 6.840 15.642 ( 8.763 -8.763 11.824) 17.129 16.180 ( -4.549 4.549 22.726) 23.619 18.004 ( 7.778 -7.778 20.510) 23.274 19.391 ( 0.403 -0.403 0.585) 0.816 19.625 ( -3.491 3.491 8.469) 9.803 20.038 ( 5.457 -5.457 -0.055) 7.718 20.911 ( 4.836 -4.836 2.648) 7.334 20.957 ( 7.694 -7.694 -4.949) 11.953 21.529 ( 6.327 -6.327 7.644) 11.769 22.489 ( -6.052 6.052 -9.063) 12.465 22.714 ( 1.725 -1.725 0.645) 2.523 24.546 ( -2.110 2.110 -7.546) 8.115 24.612 ( -6.552 6.552 -5.902) 10.987 25.933 ( -2.646 2.646 -2.182) 4.332 26.367 ( -6.758 6.758 7.237) 11.988 26.946 ( 3.182 -3.182 -29.902) 30.239 30.820 ( 16.356 -16.356 6.101) 23.922 ======================= Grid point 19 (16/175) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.904 ( 38.126 38.126 0.000) 53.919 7.105 ( 45.851 45.851 0.000) 64.842 9.260 ( 44.996 44.996 0.000) 63.634 11.562 ( -17.338 -17.338 0.000) 24.519 11.710 ( -27.429 -27.429 0.000) 38.790 13.016 ( -15.513 -15.513 0.000) 21.938 13.077 ( -33.156 -33.156 0.000) 46.889 14.926 ( -20.174 -20.174 0.000) 28.531 17.077 ( 6.740 6.740 0.000) 9.532 18.455 ( 5.866 5.866 0.000) 8.296 19.417 ( 3.485 3.485 0.000) 4.928 20.040 ( -3.260 -3.260 0.000) 4.611 20.142 ( 0.057 0.057 0.000) 0.080 20.912 ( 4.344 4.344 0.000) 6.143 21.102 ( -15.440 -15.440 0.000) 21.835 21.386 ( 13.616 13.616 0.000) 19.256 22.228 ( 2.177 2.177 0.000) 3.079 22.748 ( 3.822 3.822 0.000) 5.405 24.289 ( -3.616 -3.616 0.000) 5.114 24.602 ( 1.364 1.364 0.000) 1.928 25.901 ( 3.409 3.409 0.000) 4.821 26.447 ( 2.500 2.500 0.000) 3.536 26.599 ( -1.479 -1.479 0.000) 2.092 30.264 ( -18.611 -18.611 0.000) 26.320 ======================= Grid point 20 (17/175) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.145 ( 52.870 -0.817 9.411) 53.707 8.422 ( 22.095 18.605 -13.269) 31.787 9.896 ( -8.566 -9.146 0.864) 12.561 10.676 ( -13.565 -9.820 1.499) 16.813 11.165 ( -22.846 -16.916 -4.874) 28.842 12.140 ( -4.345 -38.222 15.229) 41.373 12.822 ( 0.233 -33.659 8.566) 34.732 15.083 ( 24.195 18.328 18.645) 35.623 16.234 ( -23.222 -17.465 -39.155) 48.759 18.577 ( -9.626 12.474 4.352) 16.346 19.559 ( -1.076 8.972 -2.699) 9.430 19.844 ( -2.958 7.076 -1.263) 7.773 20.111 ( 1.269 1.647 2.165) 3.001 20.559 ( -11.230 1.863 6.289) 13.006 20.640 ( -6.542 18.051 -4.602) 19.743 21.689 ( 7.990 7.039 -16.668) 19.779 22.465 ( -2.312 4.265 12.679) 13.575 22.922 ( 2.560 13.694 1.738) 14.039 23.891 ( -6.224 3.753 -0.137) 7.269 25.133 ( 12.987 -14.859 -0.380) 19.738 26.147 ( 6.611 2.456 -1.930) 7.311 26.518 ( -0.675 -1.209 2.505) 2.862 26.912 ( 16.439 -14.237 10.522) 24.159 29.336 ( -22.640 -23.075 -6.159) 32.909 ======================= Grid point 21 (18/175) ======================= q-point: ( 0.00 -0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.700 ( -24.164 12.742 -7.626) 28.362 8.385 ( -25.364 -12.768 -23.090) 36.599 9.990 ( 6.377 -16.650 0.432) 17.835 10.200 ( 18.038 -17.828 22.537) 33.928 11.823 ( 39.454 -3.015 -0.654) 39.575 12.203 ( 6.121 -25.368 -9.767) 27.864 13.364 ( 9.973 -30.073 26.161) 41.088 14.568 ( -13.064 -35.638 -27.962) 47.145 16.517 ( -2.816 36.451 0.959) 36.572 17.688 ( -11.877 24.191 5.183) 27.443 19.260 ( -10.371 12.736 11.241) 19.903 19.833 ( -1.324 6.161 0.631) 6.333 20.007 ( -3.136 4.852 -4.475) 7.308 20.401 ( 1.661 2.456 2.970) 4.196 20.670 ( -3.122 -1.901 9.851) 10.508 21.483 ( -4.680 9.798 -7.671) 13.294 22.519 ( -3.142 3.607 7.279) 8.710 22.878 ( -5.257 1.617 4.416) 7.053 24.150 ( 19.528 14.783 -6.710) 25.395 25.362 ( 1.116 -13.688 -6.383) 15.144 26.221 ( 1.355 0.729 -4.881) 5.118 26.629 ( 5.174 -0.745 -2.542) 5.812 27.747 ( -3.573 -17.316 -5.422) 18.494 28.668 ( 11.301 -22.309 8.385) 26.376 ======================= Grid point 22 (19/175) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.379 ( -20.107 20.107 -40.136) 49.189 6.453 ( -28.830 28.830 -14.354) 43.225 10.352 ( 6.999 -6.999 -3.578) 10.525 11.388 ( 19.076 -19.076 9.041) 28.452 12.013 ( -2.422 2.422 -5.767) 6.708 13.472 ( 15.060 -15.060 0.306) 21.300 13.563 ( 0.137 -0.137 -25.195) 25.195 15.111 ( 21.612 -21.612 41.196) 51.296 15.219 ( -6.141 6.141 -7.141) 11.243 17.779 ( -16.137 16.137 22.878) 32.314 19.373 ( -2.065 2.065 6.940) 7.530 19.755 ( -6.282 6.282 0.359) 8.891 19.880 ( 0.054 -0.054 2.980) 2.981 20.565 ( 0.678 -0.678 12.608) 12.644 20.744 ( 4.830 -4.830 -1.087) 6.916 21.305 ( 1.568 -1.568 0.516) 2.277 22.621 ( 0.217 -0.217 4.644) 4.654 22.740 ( -2.855 2.855 0.031) 4.037 24.752 ( 3.185 -3.185 -12.374) 13.168 24.959 ( -1.459 1.459 -8.346) 8.597 26.113 ( -2.478 2.478 -4.029) 5.339 26.539 ( -5.195 5.195 0.101) 7.347 27.293 ( 6.962 -6.962 -24.288) 26.208 29.837 ( 21.077 -21.077 13.710) 32.810 ======================= Grid point 25 (20/175) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.401 ( 33.790 33.790 0.000) 47.786 8.497 ( 17.441 17.441 0.000) 24.665 10.077 ( -4.109 -4.109 0.000) 5.811 10.720 ( -19.650 -19.650 0.000) 27.790 11.227 ( 3.097 3.097 0.000) 4.380 11.472 ( -40.685 -40.685 0.000) 57.537 12.392 ( -13.197 -13.197 0.000) 18.663 14.808 ( 17.510 17.510 0.000) 24.763 16.812 ( -19.588 -19.588 0.000) 27.701 18.603 ( -4.078 -4.078 0.000) 5.767 19.607 ( 5.224 5.224 0.000) 7.387 19.994 ( 3.325 3.325 0.000) 4.702 20.107 ( -1.265 -1.265 0.000) 1.789 20.532 ( -8.500 -8.500 0.000) 12.020 21.224 ( 7.230 7.230 0.000) 10.224 21.946 ( 10.364 10.364 0.000) 14.657 22.340 ( 5.906 5.906 0.000) 8.353 23.045 ( 10.158 10.158 0.000) 14.366 24.120 ( -4.281 -4.281 0.000) 6.054 24.618 ( -0.818 -0.818 0.000) 1.157 26.093 ( 6.251 6.251 0.000) 8.840 26.490 ( -0.070 -0.070 0.000) 0.099 26.495 ( -3.300 -3.300 0.000) 4.667 29.384 ( -23.792 -23.792 0.000) 33.647 ======================= Grid point 26 (21/175) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.966 ( 20.956 2.101 2.307) 21.187 8.713 ( 0.488 -0.680 5.406) 5.470 9.362 ( -14.724 -14.549 -0.159) 20.700 9.845 ( -18.309 -22.573 -4.267) 29.376 10.846 ( 12.070 -17.516 15.475) 26.305 11.639 ( 10.502 -27.373 -5.777) 29.882 12.555 ( 20.439 7.289 -6.147) 22.554 15.127 ( -32.474 -31.381 -37.691) 58.821 16.304 ( 32.378 31.134 26.307) 52.055 18.269 ( -22.988 -5.992 19.334) 30.629 19.703 ( -4.839 10.730 -4.605) 12.639 19.958 ( 0.465 6.173 -0.772) 6.239 20.144 ( -0.443 -1.575 0.737) 1.794 20.316 ( -8.096 -2.570 7.704) 11.467 21.034 ( -3.900 24.176 -16.548) 29.556 21.899 ( 1.915 1.765 -13.981) 14.221 22.580 ( -5.048 15.159 13.006) 20.602 23.069 ( -14.658 9.270 5.257) 18.123 24.115 ( 17.167 7.158 -4.781) 19.204 25.030 ( 8.936 -17.924 -1.437) 20.079 26.289 ( 2.249 0.446 -3.908) 4.531 26.551 ( 4.147 2.725 2.194) 5.425 26.993 ( 22.013 -13.350 9.523) 27.450 28.354 ( -20.861 -27.066 -5.064) 34.545 ======================= Grid point 27 (22/175) ======================= q-point: ( 0.00 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.620 ( -15.980 15.980 -8.982) 24.318 7.821 ( -15.881 15.881 -27.270) 35.328 9.840 ( 9.249 -9.249 9.459) 16.142 10.322 ( 20.795 -20.795 19.699) 35.397 11.698 ( 18.895 -18.895 -6.809) 27.575 12.641 ( 26.040 -26.040 11.249) 38.506 13.465 ( 14.775 -14.775 -20.457) 29.242 13.592 ( 15.095 -15.095 1.476) 21.398 16.839 ( -32.963 32.963 -18.457) 50.138 17.865 ( -10.504 10.504 28.492) 32.132 19.310 ( -7.119 7.119 9.298) 13.704 19.930 ( -2.703 2.703 -1.789) 4.221 19.972 ( -3.100 3.100 -1.016) 4.501 20.330 ( -1.633 1.633 14.218) 14.404 20.700 ( -0.330 0.330 -6.686) 6.703 21.530 ( -10.164 10.164 -3.981) 14.915 22.546 ( -4.458 4.458 8.261) 10.392 22.793 ( -2.651 2.651 4.896) 6.167 24.761 ( 8.329 -8.329 -11.499) 16.461 25.036 ( 3.553 -3.553 -4.083) 6.475 26.252 ( 0.397 -0.397 -4.875) 4.907 26.737 ( -2.834 2.834 -0.965) 4.123 27.393 ( 7.764 -7.764 -16.168) 19.544 28.592 ( 23.483 -23.483 15.509) 36.652 ======================= Grid point 31 (23/175) ======================= q-point: ( 0.00 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.581 ( 22.221 22.221 0.000) 31.425 8.589 ( -6.872 -6.872 0.000) 9.719 9.489 ( -16.658 -16.658 0.000) 23.559 9.873 ( -27.008 -27.008 0.000) 38.195 10.339 ( -4.616 -4.616 0.000) 6.528 11.241 ( -12.452 -12.452 0.000) 17.609 12.596 ( 28.873 28.873 0.000) 40.833 15.646 ( -34.842 -34.842 0.000) 49.274 15.954 ( 31.916 31.916 0.000) 45.136 18.094 ( -18.337 -18.337 0.000) 25.933 19.825 ( 5.260 5.260 0.000) 7.439 20.079 ( 0.232 0.232 0.000) 0.328 20.142 ( 1.090 1.090 0.000) 1.542 20.272 ( -5.057 -5.057 0.000) 7.152 21.582 ( 9.787 9.787 0.000) 13.841 22.080 ( -1.192 -1.192 0.000) 1.686 22.804 ( 12.982 12.982 0.000) 18.359 23.398 ( 3.145 3.145 0.000) 4.448 24.041 ( 2.763 2.763 0.000) 3.908 24.523 ( -3.885 -3.885 0.000) 5.494 26.335 ( 1.385 1.385 0.000) 1.959 26.365 ( -2.500 -2.500 0.000) 3.535 26.604 ( 10.862 10.862 0.000) 15.361 28.349 ( -25.851 -25.851 0.000) 36.559 ======================= Grid point 32 (24/175) ======================= q-point: ( 0.00 -0.83 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.141 ( -3.705 3.705 -3.892) 6.527 8.648 ( -1.376 1.376 0.897) 2.143 9.103 ( 9.127 -9.127 11.011) 16.966 9.357 ( 4.045 -4.045 9.037) 10.695 10.959 ( 17.574 -17.574 -2.709) 25.001 11.218 ( 22.162 -22.162 12.663) 33.803 13.711 ( 1.491 -1.491 -29.624) 29.699 13.735 ( 1.475 -1.475 -28.392) 28.469 17.448 ( -4.852 4.852 23.144) 24.140 17.494 ( -2.142 2.142 28.334) 28.495 19.784 ( -8.042 8.042 -7.824) 13.804 20.073 ( -0.599 0.599 -0.728) 1.117 20.107 ( -3.421 3.421 0.462) 4.861 20.137 ( -1.444 1.444 8.691) 8.928 21.290 ( -13.086 13.086 -24.734) 30.891 21.900 ( -0.754 0.754 -4.591) 4.713 22.838 ( -7.426 7.426 5.705) 11.952 22.845 ( -18.881 18.881 10.279) 28.612 24.540 ( 12.586 -12.586 -9.798) 20.318 24.816 ( 9.590 -9.590 1.946) 13.701 26.300 ( 1.241 -1.241 -3.909) 4.285 26.652 ( 4.783 -4.783 9.987) 12.062 27.364 ( 4.858 -4.858 -7.312) 10.033 27.540 ( 12.851 -12.851 3.410) 18.492 ======================= Grid point 37 (25/175) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.223 ( -10.706 -10.706 0.000) 15.141 8.223 ( 10.706 10.706 0.000) 15.141 9.175 ( -4.306 -4.306 0.000) 6.090 9.175 ( 4.306 4.306 0.000) 6.090 10.607 ( -14.218 -14.218 0.000) 20.107 10.607 ( 14.218 14.218 0.000) 20.107 14.091 ( -39.210 -39.210 0.000) 55.451 14.091 ( 39.210 39.210 0.000) 55.451 17.173 ( -26.315 -26.315 0.000) 37.215 17.173 ( 26.315 26.315 0.000) 37.215 20.037 ( -4.974 -4.974 0.000) 7.034 20.037 ( 4.974 4.974 0.000) 7.034 20.130 ( -2.019 -2.019 0.000) 2.855 20.130 ( 2.019 2.019 0.000) 2.855 21.930 ( -6.218 -6.218 0.000) 8.793 21.930 ( 6.218 6.218 0.000) 8.793 23.251 ( -8.163 -8.163 0.000) 11.545 23.251 ( 8.163 8.163 0.000) 11.545 24.298 ( -6.932 -6.932 0.000) 9.804 24.298 ( 6.932 6.932 0.000) 9.804 26.317 ( -0.221 -0.221 0.000) 0.312 26.317 ( 0.221 0.221 0.000) 0.312 27.332 ( -22.478 -22.478 0.000) 31.788 27.332 ( 22.478 22.478 0.000) 31.788 ======================= Grid point 75 (26/175) ======================= q-point: ( 0.04 -0.04 -0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -83.707 -0.000 0.000) 83.707 1.767 ( -84.463 -0.000 0.000) 84.463 2.186 (-105.646 -0.000 0.000) 105.646 12.998 ( 2.204 0.000 -0.000) 2.204 13.115 ( -9.991 -0.000 0.000) 9.991 14.422 ( 31.371 0.000 -0.000) 31.371 14.663 ( 23.687 0.000 -0.000) 23.687 16.010 ( -16.132 -0.000 0.000) 16.132 16.216 ( -15.666 -0.000 0.000) 15.666 19.050 ( 21.246 0.000 -0.000) 21.246 19.597 ( 4.090 0.000 -0.000) 4.090 19.840 ( -9.174 -0.000 0.000) 9.174 20.281 ( 5.721 0.000 -0.000) 5.721 20.505 ( 20.740 0.000 -0.000) 20.740 20.750 ( -9.366 -0.000 0.000) 9.366 21.508 ( -19.087 -0.000 0.000) 19.087 22.609 ( 7.820 0.000 -0.000) 7.820 22.731 ( 2.637 0.000 -0.000) 2.637 24.419 ( 5.359 0.000 -0.000) 5.359 24.692 ( -5.485 -0.000 0.000) 5.485 25.736 ( 3.645 0.000 -0.000) 3.645 25.972 ( -6.272 -0.000 0.000) 6.272 26.570 ( -3.686 -0.000 0.000) 3.686 31.288 ( 4.497 0.000 -0.000) 4.497 ======================= Grid point 76 (27/175) ======================= q-point: ( 0.04 0.12 -0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 40.896 -0.000 43.522) 59.721 2.513 ( 59.934 -0.000 61.215) 85.670 3.578 ( 83.118 -0.000 87.232) 120.491 12.872 ( -2.498 0.000 -12.199) 12.452 12.990 ( 9.857 0.000 -12.048) 15.566 14.328 ( -29.503 -0.000 -8.317) 30.653 14.659 ( -26.126 -0.000 -3.381) 26.344 15.818 ( 10.513 0.000 -20.468) 23.010 16.008 ( 27.878 0.000 -12.762) 30.661 18.999 ( -20.272 -0.000 -5.763) 21.075 19.454 ( -1.289 0.000 -7.967) 8.071 19.673 ( 8.616 0.000 -13.483) 16.001 20.489 ( -13.768 -0.000 18.271) 22.878 20.598 ( -9.568 -0.000 15.544) 18.252 21.482 ( -11.964 -0.000 28.619) 31.019 21.619 ( -1.188 -0.000 16.562) 16.604 22.340 ( -8.742 0.000 -22.570) 24.204 22.803 ( -0.901 -0.000 5.507) 5.581 24.098 ( 16.537 0.000 -22.045) 27.558 24.503 ( 14.395 0.000 -11.299) 18.300 25.775 ( -1.944 -0.000 1.120) 2.243 26.141 ( 21.762 0.000 -17.900) 28.178 26.346 ( 1.206 -0.000 32.561) 32.583 31.601 ( -23.965 -0.000 11.151) 26.432 ======================= Grid point 77 (28/175) ======================= q-point: ( 0.04 0.29 -0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.523 ( 61.695 0.000 8.799) 62.320 6.143 ( 58.770 -0.000 47.096) 75.312 8.412 ( 70.355 -0.000 65.222) 95.936 12.035 ( -19.233 0.000 -8.810) 21.155 12.805 ( -36.941 -0.000 -1.700) 36.980 13.218 ( 11.857 0.000 -24.917) 27.595 14.071 ( 3.498 0.000 -7.930) 8.667 15.374 ( 0.318 0.000 -27.936) 27.938 16.818 ( 14.367 0.000 -7.642) 16.273 17.798 ( -24.720 0.000 -17.082) 30.047 19.305 ( -11.836 -0.000 -3.211) 12.264 19.434 ( 3.135 0.000 -0.874) 3.254 20.073 ( -12.328 0.000 -11.523) 16.875 20.234 ( -16.531 -0.000 11.267) 20.005 21.309 ( -12.800 -0.000 11.944) 17.507 21.490 ( -7.598 0.000 -8.051) 11.071 22.331 ( 8.870 0.000 1.030) 8.930 22.826 ( -5.676 -0.000 8.020) 9.825 23.858 ( -1.480 0.000 -10.800) 10.901 25.380 ( 12.755 -0.000 12.297) 17.717 25.828 ( 5.369 -0.000 4.122) 6.769 26.522 ( 10.604 0.000 -6.121) 12.243 27.044 ( 5.428 -0.000 27.453) 27.985 30.768 ( -20.786 -0.000 -8.234) 22.358 ======================= Grid point 78 (29/175) ======================= q-point: ( 0.04 0.46 -0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.940 ( 43.567 0.000 3.910) 43.742 8.894 ( 28.213 -0.000 25.141) 37.790 10.617 ( -23.128 -0.000 1.373) 23.169 11.520 ( -6.609 -0.000 18.243) 19.403 11.905 ( 4.025 0.000 -6.233) 7.420 12.885 ( 6.333 0.000 -10.132) 11.949 14.336 ( 12.898 -0.000 9.462) 15.997 15.349 ( 18.920 0.000 -21.869) 28.917 16.097 ( -22.359 -0.000 -9.605) 24.335 16.956 ( -15.844 -0.000 -1.300) 15.897 18.757 ( 0.005 0.000 -13.461) 13.461 19.552 ( -1.361 -0.000 2.104) 2.506 19.636 ( 0.156 0.000 -1.440) 1.449 19.898 ( -3.914 -0.000 2.540) 4.666 21.055 ( -6.896 -0.000 5.159) 8.612 21.197 ( -4.339 -0.000 -1.486) 4.587 22.513 ( 2.058 0.000 -1.264) 2.415 22.691 ( -4.657 -0.000 2.195) 5.149 23.663 ( 1.036 0.000 -5.265) 5.365 25.644 ( -1.976 -0.000 5.741) 6.071 26.198 ( 2.309 -0.000 3.269) 4.002 26.701 ( 0.028 -0.000 1.689) 1.689 28.125 ( 17.876 -0.000 16.790) 24.524 29.619 ( -18.878 0.000 -13.659) 23.302 ======================= Grid point 79 (30/175) ======================= q-point: ( 0.04 -0.38 -0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.051 ( -48.968 -0.000 13.942) 50.914 8.338 ( -43.961 0.000 -26.936) 51.557 10.513 ( -6.331 0.000 -17.155) 18.286 10.823 ( 18.090 0.000 -28.413) 33.683 12.084 ( -8.935 -0.000 4.035) 9.803 13.289 ( 4.872 -0.000 23.360) 23.863 14.306 ( -5.469 -0.000 5.721) 7.914 15.738 ( -14.231 -0.000 13.757) 19.793 16.276 ( 30.793 0.000 8.262) 31.882 16.979 ( 18.399 0.000 2.369) 18.551 18.815 ( 11.407 0.000 -6.458) 13.108 19.589 ( -1.120 -0.000 -0.332) 1.168 19.743 ( 5.526 -0.000 13.620) 14.698 19.868 ( -2.051 -0.000 -0.163) 2.057 20.900 ( 5.654 0.000 -8.656) 10.339 21.256 ( 3.775 -0.000 2.851) 4.731 22.518 ( -0.685 0.000 -0.920) 1.147 22.612 ( 2.183 0.000 -4.941) 5.402 23.756 ( 3.733 -0.000 3.411) 5.057 25.590 ( -4.116 -0.000 1.278) 4.310 26.123 ( -5.750 0.000 -3.789) 6.886 26.673 ( -0.935 0.000 -2.055) 2.258 27.752 ( -22.616 0.000 -17.853) 28.813 29.910 ( 20.721 -0.000 13.610) 24.791 ======================= Grid point 80 (31/175) ======================= q-point: ( 0.04 -0.21 -0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.683 ( -77.299 -0.000 21.750) 80.300 5.323 ( -68.685 -0.000 -30.494) 75.150 7.131 ( -83.917 0.000 -57.099) 101.501 12.156 ( 31.835 0.000 3.585) 32.036 12.819 ( 39.131 0.000 0.065) 39.131 13.634 ( -15.720 -0.000 14.677) 21.507 14.212 ( -5.356 -0.000 4.974) 7.309 15.937 ( 2.722 -0.000 26.221) 26.362 16.809 ( -5.512 0.000 -8.056) 9.761 18.051 ( 24.465 0.000 8.093) 25.768 19.408 ( 16.121 0.000 5.259) 16.957 19.459 ( -2.939 -0.000 3.361) 4.464 19.903 ( 12.678 0.000 -14.093) 18.956 20.368 ( 2.530 -0.000 7.338) 7.762 21.106 ( 2.405 0.000 -4.143) 4.791 21.686 ( 18.119 -0.000 8.166) 19.874 22.296 ( -10.308 -0.000 -1.546) 10.424 22.653 ( 5.897 0.000 -8.308) 10.188 24.043 ( 5.096 -0.000 6.647) 8.376 25.205 ( -15.461 -0.000 -4.411) 16.078 25.736 ( -2.267 0.000 -4.692) 5.211 26.445 ( -3.890 0.000 -14.780) 15.283 26.773 ( -13.007 -0.000 2.896) 13.325 30.888 ( 15.925 0.000 3.545) 16.315 ======================= Grid point 82 (32/175) ======================= q-point: ( 0.04 0.12 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.308 ( 63.218 9.427 19.625) 66.862 3.798 ( 69.517 19.387 13.060) 73.342 6.139 ( 77.610 59.422 63.167) 116.381 12.539 ( -15.364 -11.764 -10.535) 22.032 13.180 ( -12.417 -13.116 -14.278) 23.023 13.673 ( -16.250 5.452 -0.332) 17.144 14.085 ( -6.030 -14.224 -3.777) 15.904 15.988 ( -4.441 0.078 -16.589) 17.173 16.468 ( 16.297 -2.820 -5.658) 17.480 18.449 ( -17.365 -7.596 -6.474) 20.029 19.449 ( -2.684 -1.380 -2.802) 4.118 19.732 ( -6.821 6.736 -11.742) 15.158 20.143 ( -1.709 -4.086 2.012) 4.864 20.582 ( -12.623 12.584 10.390) 20.631 21.074 ( 2.206 -8.324 12.739) 15.376 21.947 ( -11.598 -3.495 -9.252) 15.242 22.116 ( 8.326 2.617 3.050) 9.245 22.741 ( -3.061 -1.320 3.299) 4.690 24.241 ( -7.253 9.432 -6.435) 13.526 24.735 ( 17.006 -10.629 1.844) 20.139 25.802 ( -1.265 4.572 3.570) 5.937 26.395 ( 2.776 2.022 19.761) 20.058 26.500 ( 10.905 -0.291 -8.664) 13.931 31.118 ( -14.592 -8.292 1.873) 16.887 ======================= Grid point 83 (33/175) ======================= q-point: ( 0.04 0.29 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.005 ( 61.893 14.389 -8.131) 64.062 7.058 ( 56.609 -19.448 34.760) 69.218 9.978 ( 41.588 17.247 41.436) 61.188 11.513 ( -28.312 -1.308 8.714) 29.651 12.048 ( -17.379 -8.488 -1.443) 19.395 13.236 ( -1.611 -12.423 -20.667) 24.167 14.019 ( 3.412 -12.873 -4.038) 13.916 15.495 ( 4.219 -1.480 -17.960) 18.508 16.485 ( -16.050 -24.863 -7.748) 30.590 17.543 ( -12.699 16.598 -13.951) 25.127 19.154 ( -7.158 8.594 -4.876) 12.202 19.572 ( 4.698 4.081 -0.960) 6.296 19.869 ( -7.855 2.868 -10.424) 13.364 20.102 ( -8.643 10.836 2.662) 14.114 21.065 ( -8.952 -0.447 5.904) 10.733 21.330 ( -4.051 -2.435 -3.269) 5.747 22.480 ( 3.128 1.533 0.685) 3.550 22.729 ( -4.554 2.347 7.341) 8.952 23.865 ( -5.113 4.672 -5.306) 8.724 25.437 ( 5.369 -7.539 6.770) 11.467 26.001 ( 6.145 1.438 5.378) 8.291 26.635 ( 2.045 -1.006 1.230) 2.590 27.252 ( 18.151 -5.417 19.016) 26.840 30.256 ( -21.154 -8.166 -11.637) 25.487 ======================= Grid point 84 (34/175) ======================= q-point: ( 0.04 -0.54 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 444 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.542 ( 0.000 7.492 -0.000) 7.492 9.028 ( 0.000 -15.061 0.000) 15.061 10.308 ( 0.000 3.113 -0.000) 3.113 11.405 ( 0.000 -39.049 -0.000) 39.049 11.413 ( 0.000 -5.362 0.000) 5.362 13.097 ( 0.000 -1.303 0.000) 1.303 14.680 ( 0.000 14.259 0.000) 14.259 15.279 ( 0.000 -24.381 0.000) 24.381 15.748 ( 0.000 -9.968 0.000) 9.968 16.811 ( 0.000 11.939 0.000) 11.939 18.991 ( 0.000 17.658 0.000) 17.658 19.558 ( 0.000 5.199 -0.000) 5.199 19.675 ( 0.000 3.018 -0.000) 3.018 20.023 ( 0.000 11.163 0.000) 11.163 20.999 ( 0.000 1.836 0.000) 1.836 21.148 ( -0.000 0.103 -0.000) 0.103 22.543 ( 0.000 0.985 -0.000) 0.985 22.676 ( 0.000 3.702 -0.000) 3.702 23.685 ( 0.000 1.034 -0.000) 1.034 25.578 ( 0.000 -4.144 0.000) 4.144 26.199 ( 0.000 -1.798 -0.000) 1.798 26.673 ( 0.000 -2.375 0.000) 2.375 28.277 ( 0.000 -7.122 -0.000) 7.122 29.300 ( 0.000 -8.526 0.000) 8.526 ======================= Grid point 88 (35/175) ======================= q-point: ( 0.04 -0.04 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( -10.944 76.802 0.000) 77.577 3.935 ( 40.824 71.310 0.000) 82.168 5.307 ( 67.518 86.846 0.000) 110.004 12.650 ( -12.291 -17.052 -0.000) 21.020 13.344 ( -13.594 -18.786 -0.000) 23.189 13.661 ( 5.012 -13.155 -0.000) 14.077 14.122 ( -14.659 -5.053 0.000) 15.505 16.178 ( -11.050 -3.644 0.000) 11.636 16.510 ( 3.833 11.186 0.000) 11.824 18.509 ( -6.725 -15.661 -0.000) 17.044 19.485 ( -4.337 -5.957 -0.000) 7.369 19.874 ( 8.970 -9.410 -0.000) 13.000 20.189 ( 1.142 1.951 0.000) 2.260 20.376 ( 12.615 -8.439 -0.000) 15.177 20.941 ( -0.827 11.102 0.000) 11.133 21.914 ( 4.637 7.446 0.000) 8.772 22.214 ( -12.348 -10.393 0.000) 16.140 22.703 ( 2.095 -5.883 -0.000) 6.245 24.322 ( 4.562 -9.304 -0.000) 10.362 24.724 ( -11.279 12.380 0.000) 16.748 25.739 ( 3.755 -0.780 -0.000) 3.835 26.172 ( 4.948 6.323 0.000) 8.029 26.637 ( -2.612 5.492 0.000) 6.081 31.082 ( -6.457 -9.685 -0.000) 11.640 ======================= Grid point 89 (36/175) ======================= q-point: ( 0.04 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.664 ( 59.839 5.856 22.210) 64.096 5.869 ( 58.816 41.950 -19.183) 74.747 8.731 ( 57.059 48.912 43.001) 86.587 11.853 ( -24.493 -11.112 -1.387) 26.932 12.224 ( -24.390 -25.681 -5.680) 35.870 13.288 ( -15.135 -12.899 -1.720) 19.960 13.781 ( -8.368 -23.705 1.088) 25.162 15.450 ( -17.583 -25.656 0.266) 31.104 16.683 ( 5.037 5.422 -16.486) 18.071 18.235 ( -1.333 7.288 -9.708) 12.212 19.384 ( 1.375 0.817 0.203) 1.612 19.817 ( -4.747 10.744 -9.726) 15.250 20.148 ( 2.551 -1.467 -5.189) 5.965 20.613 ( -13.420 18.492 0.995) 22.870 21.113 ( 8.062 -1.194 -5.365) 9.757 21.418 ( -14.934 -12.519 -3.041) 19.723 22.360 ( 4.831 3.166 11.036) 12.456 22.691 ( -0.890 1.795 2.105) 2.906 24.233 ( -11.534 8.495 1.303) 14.384 24.821 ( 15.523 -12.665 5.336) 20.733 25.891 ( 1.895 3.410 4.301) 5.807 26.500 ( 2.293 2.017 10.637) 11.067 26.638 ( 7.668 -4.236 -1.375) 8.867 30.568 ( -17.269 -14.585 -3.822) 22.925 ======================= Grid point 90 (37/175) ======================= q-point: ( 0.04 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.419 ( 44.487 9.080 -5.142) 45.694 7.839 ( 45.892 -5.377 10.377) 47.357 10.241 ( -3.487 -13.456 4.917) 14.745 11.006 ( -17.903 -2.844 18.958) 26.230 11.443 ( -27.753 -19.535 -6.460) 34.548 12.877 ( 5.028 -27.161 -8.860) 29.008 13.897 ( 8.791 -20.852 25.477) 34.076 15.278 ( 6.950 -3.566 13.656) 15.732 15.722 ( -14.930 -16.988 -36.786) 43.182 17.843 ( -13.646 31.707 -20.229) 40.009 19.321 ( -0.846 12.669 0.385) 12.703 19.718 ( 0.187 4.402 -0.172) 4.409 19.897 ( -4.198 11.919 -6.393) 14.162 20.248 ( -1.477 9.682 1.020) 9.846 20.902 ( -6.725 -0.396 12.037) 13.794 21.307 ( 3.113 2.149 -10.239) 10.915 22.556 ( 0.600 2.753 2.228) 3.592 22.761 ( -1.261 7.922 5.348) 9.641 23.813 ( -7.099 3.294 -0.926) 7.881 25.379 ( 6.398 -9.594 0.856) 11.563 26.108 ( 3.742 -0.205 1.108) 3.908 26.605 ( -0.453 -2.741 1.357) 3.092 27.487 ( 21.112 -12.051 17.429) 29.912 29.558 ( -21.726 -16.468 -12.107) 29.829 ======================= Grid point 91 (38/175) ======================= q-point: ( 0.04 -0.54 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.301 ( -38.497 16.314 0.869) 41.821 8.252 ( -36.833 -20.222 -24.434) 48.607 10.292 ( 7.377 -15.546 -1.643) 17.286 11.044 ( 18.952 -23.698 14.202) 33.504 11.606 ( 35.047 0.183 -15.295) 38.240 12.702 ( -7.030 -23.549 3.538) 24.830 14.414 ( -13.329 -17.950 -14.018) 26.389 14.878 ( 5.915 -16.854 24.303) 30.161 15.699 ( -7.696 3.996 -14.651) 17.025 17.420 ( 13.333 26.542 18.305) 34.890 19.229 ( -8.145 15.171 10.842) 20.348 19.730 ( -2.428 5.284 -0.537) 5.840 19.797 ( 3.202 8.542 0.652) 9.145 20.268 ( 3.086 9.765 -0.526) 10.254 21.013 ( -3.537 -1.198 7.583) 8.453 21.197 ( 3.697 0.576 -5.480) 6.635 22.553 ( -1.989 2.671 1.979) 3.874 22.841 ( 2.167 5.741 -1.676) 6.361 23.808 ( 8.448 7.865 -0.687) 11.563 25.456 ( 0.031 -9.002 -6.251) 10.959 26.148 ( -0.985 -1.201 -2.685) 3.102 26.628 ( 1.411 -2.818 -1.518) 3.498 27.841 ( -17.161 -13.004 -15.709) 26.653 29.289 ( 19.914 -15.669 13.193) 28.568 ======================= Grid point 92 (39/175) ======================= q-point: ( 0.04 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.214 ( -45.254 18.227 -25.982) 55.274 5.735 ( -53.707 16.881 -13.607) 57.918 9.673 ( -39.392 32.884 -44.526) 67.939 11.806 ( 12.874 -5.100 3.229) 14.219 12.080 ( 13.426 -23.146 7.801) 27.872 13.263 ( 19.228 -5.838 -0.129) 20.095 13.790 ( 4.885 -12.011 0.513) 12.977 15.403 ( 10.194 -14.285 6.588) 18.745 16.228 ( 3.414 -12.765 25.919) 29.093 17.934 ( -1.043 9.221 19.125) 21.258 19.377 ( 1.247 2.598 1.278) 3.153 19.653 ( -0.728 8.900 5.066) 10.266 19.993 ( 0.534 0.454 8.944) 8.971 20.588 ( 14.680 10.267 1.231) 17.956 21.034 ( -3.862 -11.077 4.687) 12.633 21.374 ( 8.343 -4.777 0.387) 9.622 22.532 ( 0.017 7.083 -4.349) 8.312 22.748 ( -2.997 -3.014 -2.875) 5.131 24.285 ( 13.933 16.365 -4.081) 21.877 24.989 ( -15.913 -13.899 -10.658) 23.664 25.976 ( -2.122 3.519 -3.739) 5.556 26.522 ( -7.160 0.509 3.858) 8.149 26.919 ( -2.126 -4.776 -23.790) 24.357 30.443 ( 19.990 -15.133 8.531) 26.484 ======================= Grid point 94 (40/175) ======================= q-point: ( 0.04 -0.04 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.424 ( 6.829 64.639 0.000) 64.998 6.166 ( 43.673 58.293 0.000) 72.838 8.198 ( 55.872 65.372 0.000) 85.995 11.866 ( -13.478 -29.537 -0.000) 32.466 12.287 ( -25.160 -28.240 -0.000) 37.823 13.309 ( -14.845 -13.155 0.000) 19.835 13.766 ( -29.365 -8.055 0.000) 30.449 15.441 ( -28.174 -20.979 0.000) 35.127 16.857 ( 11.974 9.531 -0.000) 15.304 18.332 ( 6.156 -2.017 -0.000) 6.478 19.381 ( 0.136 2.176 0.000) 2.180 19.939 ( 10.564 -7.466 -0.000) 12.936 20.226 ( -5.198 2.274 0.000) 5.673 20.544 ( 25.052 -11.552 -0.000) 27.587 21.235 ( 4.041 14.073 0.000) 14.641 21.438 ( -14.790 -22.556 -0.000) 26.972 22.210 ( -0.877 6.604 0.000) 6.662 22.668 ( 3.976 -1.927 -0.000) 4.418 24.221 ( 5.407 -10.868 -0.000) 12.138 24.769 ( -12.611 15.458 0.000) 19.950 25.836 ( 3.489 2.788 -0.000) 4.466 26.380 ( 3.830 4.204 0.000) 5.687 26.670 ( -4.975 4.843 0.000) 6.943 30.606 ( -14.304 -15.876 -0.000) 21.370 ======================= Grid point 95 (41/175) ======================= q-point: ( 0.04 0.12 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.029 ( 52.572 13.136 13.470) 55.837 7.737 ( 41.691 34.522 -20.501) 57.881 9.963 ( 4.635 2.849 4.181) 6.862 11.083 ( -25.228 -15.717 1.114) 29.744 11.553 ( -8.432 -7.000 14.988) 18.568 12.437 ( -27.717 -33.345 6.060) 43.781 12.881 ( -5.971 -31.723 8.486) 33.377 14.797 ( 2.379 -2.448 10.978) 11.497 16.621 ( -13.537 -9.589 -37.568) 41.067 18.594 ( 6.325 14.238 0.126) 15.581 19.516 ( 3.986 5.048 0.249) 6.437 19.909 ( -2.540 5.772 -2.705) 6.862 20.123 ( -1.602 -0.682 -0.392) 1.785 20.787 ( -11.560 9.046 -1.709) 14.778 20.841 ( -11.637 4.433 2.234) 12.652 21.441 ( 15.496 1.766 -19.241) 24.768 22.481 ( 0.897 4.477 13.206) 13.973 22.829 ( 5.176 8.383 -0.325) 9.857 24.119 ( -13.655 6.070 3.492) 15.346 24.856 ( 13.390 -13.228 4.038) 19.251 26.027 ( 4.843 3.413 2.278) 6.348 26.536 ( -0.807 -0.242 3.710) 3.804 26.662 ( 7.835 -8.486 5.521) 12.801 29.795 ( -21.738 -21.241 -5.484) 30.883 ======================= Grid point 96 (42/175) ======================= q-point: ( 0.04 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.016 ( 2.266 4.233 3.584) 5.992 8.532 ( 13.555 2.595 -8.767) 16.350 9.868 ( 1.069 -25.758 3.984) 26.086 10.188 ( -18.024 -18.375 -2.884) 25.900 11.122 ( 19.335 3.294 4.006) 20.019 12.198 ( -1.415 -37.820 -3.849) 38.041 13.223 ( 3.355 -37.292 26.803) 46.047 14.890 ( -17.976 -29.452 -41.854) 54.243 16.213 ( 26.709 34.302 26.523) 50.926 18.088 ( -22.379 27.506 -15.594) 38.737 19.479 ( -8.441 10.314 8.277) 15.688 19.834 ( 1.291 5.803 1.001) 6.028 20.064 ( -2.405 6.888 -7.005) 10.115 20.383 ( -1.380 7.878 -0.979) 8.058 20.754 ( -4.600 -2.979 16.241) 17.141 21.490 ( 4.191 6.055 -15.248) 16.933 22.606 ( -3.979 6.246 7.892) 10.823 22.978 ( -3.303 10.476 3.949) 11.673 23.852 ( 7.198 7.028 -3.942) 10.805 25.285 ( 5.737 -12.675 -3.471) 14.339 26.178 ( 2.608 1.172 -3.197) 4.289 26.549 ( 1.757 -2.136 -0.200) 2.773 27.595 ( 16.977 -16.793 12.991) 27.184 28.736 ( -15.736 -23.223 -7.862) 29.133 ======================= Grid point 97 (43/175) ======================= q-point: ( 0.04 -0.54 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.897 ( -34.333 20.237 -17.822) 43.657 7.208 ( -37.860 7.558 -13.393) 40.864 10.172 ( 10.076 -13.883 -1.578) 17.227 10.979 ( 20.178 -19.982 8.236) 29.568 12.008 ( 2.909 -17.490 -4.427) 18.274 12.693 ( 45.690 -0.529 -10.357) 46.852 13.717 ( -4.471 -33.419 -18.429) 38.424 14.678 ( 18.679 -24.905 42.673) 52.822 15.606 ( -27.438 24.418 -24.929) 44.391 18.045 ( -6.890 22.420 23.575) 33.256 19.409 ( -2.220 10.660 11.386) 15.754 19.810 ( -0.457 7.076 1.013) 7.163 19.923 ( -3.563 3.543 2.793) 5.748 20.510 ( 4.557 4.890 2.913) 7.291 20.776 ( -6.990 -7.446 10.269) 14.483 21.285 ( 0.976 1.815 -6.415) 6.738 22.608 ( -0.348 4.834 5.105) 7.039 22.836 ( -5.410 -0.384 1.183) 5.552 24.408 ( 20.280 14.430 -9.348) 26.588 25.145 ( -7.397 -14.278 -8.626) 18.248 26.144 ( -0.652 2.009 -3.698) 4.259 26.622 ( -0.855 1.366 -2.475) 2.954 27.267 ( -6.576 -12.902 -19.189) 24.040 29.372 ( 23.588 -21.001 14.287) 34.663 ======================= Grid point 100 (44/175) ======================= q-point: ( 0.04 -0.04 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.888 ( 14.648 54.786 0.000) 56.711 7.982 ( 30.867 37.586 0.000) 48.636 9.921 ( 18.878 15.855 -0.000) 24.653 11.037 ( -9.102 -26.437 -0.000) 27.960 11.402 ( -19.191 -6.060 0.000) 20.125 12.346 ( -41.497 -32.463 0.000) 52.687 12.821 ( -28.844 -6.682 0.000) 29.608 14.683 ( -6.238 -1.843 0.000) 6.504 17.054 ( -3.539 -9.682 -0.000) 10.308 18.554 ( 8.337 2.176 -0.000) 8.616 19.515 ( 3.526 5.426 0.000) 6.470 19.938 ( 3.490 -4.474 -0.000) 5.674 20.120 ( -1.290 -3.259 -0.000) 3.505 20.712 ( -5.979 -13.818 -0.000) 15.056 20.911 ( 20.646 -8.199 -0.000) 22.215 21.721 ( 10.994 15.109 0.000) 18.685 22.267 ( 0.159 0.768 0.000) 0.784 22.831 ( 10.261 4.321 -0.000) 11.134 24.084 ( 4.400 -12.094 -0.000) 12.869 24.814 ( -14.260 15.168 0.000) 20.819 25.999 ( 3.339 6.586 0.000) 7.384 26.480 ( 1.018 0.643 -0.000) 1.204 26.624 ( -8.514 4.472 0.000) 9.617 29.852 ( -21.334 -21.251 0.000) 30.112 ======================= Grid point 101 (45/175) ======================= q-point: ( 0.04 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.282 ( 39.457 13.870 8.523) 42.683 8.698 ( 5.445 7.027 0.285) 8.894 9.672 ( -12.959 -11.995 -9.372) 19.992 10.283 ( -19.723 -22.968 -6.678) 31.002 10.898 ( -21.120 -17.663 13.679) 30.743 11.489 ( 3.235 -20.508 2.756) 20.944 12.317 ( 2.732 -11.436 3.028) 12.141 15.615 ( 32.709 30.849 25.768) 51.822 15.768 ( -28.793 -27.081 -42.858) 58.303 18.651 ( -13.085 -4.608 17.024) 21.961 19.717 ( 2.977 6.601 0.403) 7.253 19.989 ( -2.949 6.342 -2.729) 7.508 20.119 ( 2.352 -0.615 0.778) 2.552 20.469 ( -7.108 -5.044 9.791) 13.108 21.118 ( -3.742 21.219 -14.056) 25.726 21.764 ( 10.228 1.007 -23.206) 25.380 22.649 ( -0.749 12.707 12.371) 17.750 23.197 ( 4.920 11.635 -0.517) 12.643 23.991 ( -6.671 5.858 2.032) 9.107 24.812 ( 10.842 -15.589 2.596) 19.165 26.236 ( 3.742 6.703 -0.291) 7.683 26.503 ( 0.972 0.030 0.483) 1.086 26.630 ( 11.185 -12.385 9.571) 19.237 28.828 ( -24.250 -25.825 -5.685) 35.879 ======================= Grid point 102 (46/175) ======================= q-point: ( 0.04 -0.71 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.964 ( -16.826 12.720 3.393) 21.364 8.280 ( -25.212 3.133 -19.279) 31.892 9.685 ( 9.957 -12.676 3.821) 16.566 9.839 ( 20.028 -17.852 16.465) 31.479 11.389 ( 11.467 -28.204 1.041) 30.463 11.961 ( 34.483 -11.758 -0.835) 36.442 12.925 ( 21.735 -7.435 4.365) 23.382 13.807 ( -17.906 -36.878 -30.946) 51.364 17.255 ( -1.314 34.306 7.019) 35.041 18.078 ( -15.948 11.305 15.950) 25.230 19.484 ( -9.506 9.847 6.045) 14.962 19.961 ( -1.211 6.410 0.098) 6.524 20.058 ( -4.104 0.685 -2.853) 5.045 20.389 ( -4.201 -1.854 11.696) 12.566 20.714 ( -1.244 4.963 -6.538) 8.302 21.651 ( -0.115 4.316 -14.108) 14.754 22.690 ( -7.488 13.522 10.737) 18.820 22.916 ( -10.938 2.517 6.411) 12.926 24.386 ( 21.430 6.516 -9.025) 24.149 25.055 ( 0.112 -15.074 -4.480) 15.726 26.240 ( 0.274 1.091 -2.670) 2.898 26.682 ( 7.205 5.927 -2.315) 9.613 27.392 ( -3.000 -16.072 -6.545) 17.611 28.167 ( 13.798 -25.792 9.515) 30.759 ======================= Grid point 105 (47/175) ======================= q-point: ( 0.04 -0.21 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.245 ( -7.075 69.438 2.806) 69.853 6.574 ( 6.703 61.889 -1.760) 62.276 9.100 ( 29.067 57.767 -39.778) 75.922 11.383 ( -4.098 -36.145 -4.255) 36.624 12.047 ( -8.438 -20.687 -0.851) 22.358 13.598 ( -22.270 1.744 13.465) 26.082 14.142 ( -20.389 -0.992 6.170) 21.325 15.686 ( -21.722 -9.436 2.044) 23.771 16.652 ( -1.908 -5.624 7.766) 9.777 17.798 ( 19.816 -14.796 9.987) 26.671 19.221 ( 12.659 -11.421 2.537) 17.237 19.593 ( 4.941 2.541 1.365) 5.721 19.868 ( 12.456 -6.587 -6.641) 15.577 20.249 ( -1.536 -6.396 9.934) 11.914 20.995 ( 0.406 -13.091 1.832) 13.224 21.375 ( 0.088 -4.511 -0.631) 4.556 22.445 ( -0.847 4.493 -2.722) 5.321 22.570 ( 3.264 -3.961 -6.554) 8.324 23.948 ( 1.740 -6.887 2.547) 7.547 25.374 ( -9.771 13.197 0.487) 16.427 25.893 ( 3.803 6.900 -4.844) 9.248 26.527 ( 0.387 2.682 -8.548) 8.967 27.010 ( -5.823 15.866 -4.452) 17.477 30.446 ( -8.844 -18.618 6.567) 21.633 ======================= Grid point 106 (48/175) ======================= q-point: ( 0.04 -0.04 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.193 ( 13.945 40.665 0.000) 42.989 8.676 ( -0.360 0.970 0.000) 1.035 9.785 ( -10.110 -20.768 -0.000) 23.099 10.399 ( -20.997 -14.869 0.000) 25.728 10.719 ( -31.191 -25.215 0.000) 40.108 11.456 ( -6.356 13.842 0.000) 15.231 12.300 ( -5.995 5.709 0.000) 8.278 15.329 ( 27.598 31.002 0.000) 41.506 16.282 ( -26.264 -31.013 -0.000) 40.640 18.394 ( -10.002 -15.534 -0.000) 18.475 19.713 ( 5.374 4.583 -0.000) 7.063 20.022 ( 5.956 -2.843 -0.000) 6.600 20.101 ( 1.851 2.438 0.000) 3.061 20.381 ( -5.347 -6.430 -0.000) 8.363 21.272 ( 21.229 -0.642 -0.000) 21.238 22.115 ( -1.855 5.449 0.000) 5.756 22.411 ( 20.967 -0.759 -0.000) 20.981 23.198 ( 13.671 1.055 -0.000) 13.712 23.973 ( 4.033 -2.585 -0.000) 4.790 24.783 ( -17.500 13.099 0.000) 21.859 26.242 ( 4.541 6.786 0.000) 8.165 26.483 ( -0.172 -0.500 -0.000) 0.529 26.541 ( -9.477 9.793 0.000) 13.628 28.887 ( -25.983 -24.219 0.000) 35.520 ======================= Grid point 107 (49/175) ======================= q-point: ( 0.04 0.12 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.097 ( 13.147 10.364 7.051) 18.165 8.613 ( -0.809 -9.243 13.644) 16.500 9.149 ( -11.634 -4.965 -4.106) 13.298 9.428 ( -11.309 -17.380 1.324) 20.778 10.583 ( 12.969 -5.287 10.321) 17.398 11.057 ( -1.675 -25.719 0.988) 25.792 13.000 ( 33.020 30.393 -24.531) 51.145 14.433 ( -35.094 -35.459 -37.699) 62.531 16.944 ( 29.570 30.484 29.588) 51.760 18.004 ( -23.762 -18.678 27.207) 40.665 19.881 ( -1.178 7.007 -3.122) 7.761 20.058 ( 0.418 1.637 -1.952) 2.581 20.115 ( 0.211 0.502 1.708) 1.793 20.255 ( -6.146 -3.255 6.976) 9.850 21.473 ( -4.268 17.322 -21.009) 27.561 21.862 ( 3.740 -4.158 -14.829) 15.849 22.941 ( -3.955 17.870 5.067) 18.991 23.261 ( -14.866 7.256 4.495) 17.142 24.211 ( 13.101 3.253 -2.893) 13.805 24.655 ( 7.898 -17.582 2.832) 19.481 26.309 ( -2.511 1.974 0.997) 3.346 26.531 ( 5.545 -6.841 9.365) 12.855 26.929 ( 22.749 9.896 -2.095) 24.896 27.795 ( -21.697 -26.710 -4.860) 34.754 ======================= Grid point 111 (50/175) ======================= q-point: ( 0.04 -0.21 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.297 ( -12.635 57.948 -9.944) 60.137 8.007 ( 19.715 37.737 17.717) 46.115 10.008 ( -0.562 0.904 -17.111) 17.144 10.703 ( 2.571 -21.674 -6.903) 22.891 11.629 ( -22.635 -6.471 8.913) 25.173 12.907 ( -34.420 -4.533 -6.896) 35.395 13.553 ( -34.331 4.091 -6.235) 35.132 14.981 ( -10.692 1.702 -11.637) 15.895 16.467 ( -5.131 -15.921 30.662) 34.928 18.142 ( 28.618 -10.434 7.185) 31.297 19.326 ( 15.177 -9.462 2.736) 18.093 19.718 ( 5.378 -1.156 -0.858) 5.567 19.975 ( 12.502 -6.742 0.950) 14.236 20.240 ( 8.121 0.442 0.016) 8.133 20.668 ( -3.274 -11.467 -9.106) 15.004 21.500 ( 9.762 2.183 7.852) 12.717 22.453 ( -1.773 -0.300 -6.668) 6.906 22.676 ( 9.729 1.618 -2.443) 10.161 23.834 ( 1.893 -6.438 0.862) 6.766 25.408 ( -11.668 11.805 2.755) 16.826 26.112 ( 1.297 8.718 1.655) 8.967 26.546 ( -1.405 0.337 -4.621) 4.841 27.188 ( -12.032 19.327 -10.370) 25.017 29.758 ( -17.573 -21.347 6.992) 28.520 ======================= Grid point 112 (51/175) ======================= q-point: ( 0.04 -0.04 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.034 ( 6.963 20.224 0.000) 21.389 8.444 ( -10.121 -6.051 0.000) 11.792 9.201 ( -5.962 -9.488 -0.000) 11.205 9.406 ( -18.518 -17.583 0.000) 25.536 10.473 ( -1.106 17.468 0.000) 17.503 11.051 ( -28.248 -5.083 0.000) 28.702 13.297 ( 37.011 37.005 -0.000) 52.337 14.878 ( -36.580 -39.150 -0.000) 53.580 16.601 ( 28.884 30.179 0.000) 41.774 17.663 ( -20.781 -23.095 -0.000) 31.069 19.916 ( 6.626 3.129 -0.000) 7.327 20.067 ( 3.062 -1.298 -0.000) 3.326 20.112 ( -0.638 -3.613 -0.000) 3.669 20.184 ( -3.454 -3.485 -0.000) 4.907 21.716 ( 16.053 3.983 -0.000) 16.540 22.026 ( -3.872 -5.872 -0.000) 7.033 22.869 ( 24.940 -4.730 -0.000) 25.384 23.202 ( 8.918 -20.282 -0.000) 22.156 24.258 ( 1.016 19.471 0.000) 19.497 24.613 ( -20.857 8.169 0.000) 22.400 26.330 ( -1.270 2.643 0.000) 2.933 26.394 ( -6.513 1.730 0.000) 6.739 26.956 ( 12.783 22.238 0.000) 25.650 27.846 ( -26.778 -22.356 0.000) 34.883 ======================= Grid point 117 (52/175) ======================= q-point: ( 0.04 -0.38 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.696 ( 6.392 -0.056 14.688) 16.019 8.918 ( -12.675 26.451 -9.317) 30.775 10.315 ( 2.113 3.023 0.578) 3.733 10.855 ( -5.842 3.102 -36.501) 37.095 11.743 ( -33.050 -5.843 19.849) 38.993 13.326 ( -5.587 0.289 14.929) 15.943 14.439 ( -4.879 14.659 -15.422) 21.829 15.378 ( -13.046 -23.140 -1.786) 26.624 15.813 ( -8.261 0.015 13.052) 15.447 16.948 ( 18.358 -9.383 10.928) 23.334 18.802 ( 19.503 -13.400 -14.805) 27.913 19.644 ( 3.288 -1.004 -1.838) 3.898 19.683 ( 3.375 3.027 8.089) 9.273 20.047 ( 10.024 -0.857 2.240) 10.307 20.857 ( -1.653 2.078 -10.015) 10.361 21.240 ( 2.869 -0.107 5.415) 6.129 22.523 ( 0.717 -1.146 -1.834) 2.278 22.647 ( 3.768 2.900 -2.594) 5.416 23.681 ( 1.556 -3.816 -0.261) 4.129 25.642 ( -4.368 5.124 5.210) 8.513 26.211 ( -1.254 3.712 1.798) 4.311 26.675 ( -2.392 1.998 -0.150) 3.120 28.114 ( -7.002 17.790 -13.306) 23.293 29.426 ( -9.038 -15.467 9.923) 20.479 ======================= Grid point 118 (53/175) ======================= q-point: ( 0.04 -0.21 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.004 ( -5.148 22.300 2.035) 22.977 8.670 ( 3.822 9.165 4.116) 10.749 9.671 ( -13.941 -11.666 -12.455) 22.035 10.336 ( -22.524 -20.013 9.937) 31.727 11.112 ( -7.586 19.383 1.978) 20.909 12.139 ( -27.984 4.937 -9.142) 29.851 12.896 ( -34.835 6.716 -5.198) 35.855 15.668 ( 4.733 3.874 5.739) 8.388 15.726 ( -1.179 0.596 7.512) 7.628 18.207 ( 12.739 -24.778 -5.286) 28.358 19.432 ( 15.698 -10.629 4.822) 19.562 19.824 ( 6.586 0.254 -0.416) 6.604 20.149 ( 3.036 0.876 0.564) 3.210 20.345 ( 1.399 -8.379 -5.237) 9.980 20.571 ( 15.927 -0.777 -0.268) 15.948 21.740 ( 12.563 -3.699 8.831) 15.795 22.409 ( 1.558 -2.181 -9.653) 10.019 22.899 ( 7.721 -4.318 -3.213) 9.412 23.933 ( 9.472 10.336 3.259) 14.393 25.364 ( -14.104 8.697 3.451) 16.926 26.282 ( 0.124 5.478 6.861) 8.781 26.535 ( -1.393 3.563 -2.248) 4.437 27.317 ( -16.381 21.956 -11.996) 29.905 28.886 ( -24.097 -20.201 5.645) 31.947 ======================= Grid point 123 (54/175) ======================= q-point: ( 0.04 0.62 -0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.457 ( 10.411 -29.191 16.486) 35.104 8.743 ( -20.006 -17.567 21.823) 34.425 10.328 ( -14.435 1.864 -0.895) 14.583 10.597 ( -21.216 13.963 -25.642) 36.092 11.765 ( 2.753 40.995 1.866) 41.130 12.808 ( -27.390 -8.593 8.848) 30.039 14.012 ( -31.074 -0.343 -25.197) 40.008 15.127 ( -9.525 -12.433 23.274) 28.053 15.876 ( 17.175 -0.112 1.156) 17.215 17.189 ( 21.891 -4.518 -3.431) 22.614 18.940 ( 18.164 -10.194 -14.500) 25.379 19.710 ( 5.561 -1.662 -1.503) 5.996 19.873 ( 7.357 -1.037 5.491) 9.239 20.257 ( 10.154 3.333 -1.765) 10.831 20.791 ( -8.468 -0.183 -11.192) 14.036 21.330 ( 4.476 -0.711 5.233) 6.923 22.492 ( 0.094 -1.597 -3.581) 3.922 22.830 ( 3.437 1.044 -2.172) 4.197 23.841 ( 13.763 10.320 2.282) 17.353 25.596 ( -8.825 2.405 6.242) 11.074 26.221 ( -0.816 0.097 4.421) 4.497 26.681 ( -3.466 4.437 3.808) 6.797 28.072 ( -13.662 -3.028 5.452) 15.018 29.066 ( -16.087 9.409 -7.171) 19.969 ======================= Grid point 124 (55/175) ======================= q-point: ( 0.04 0.79 -0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.076 ( 2.398 -3.616 14.061) 14.715 8.635 ( -3.038 -12.556 12.722) 18.131 9.322 ( -10.252 12.106 -24.008) 28.776 9.610 ( -19.101 -4.751 -9.395) 21.810 11.290 ( -17.766 29.211 -6.913) 34.881 11.897 ( -37.191 14.821 -1.781) 40.075 13.116 ( 23.355 32.432 15.177) 42.751 14.455 ( -34.320 -32.267 27.752) 54.674 16.885 ( 28.670 22.116 -20.561) 41.639 17.747 ( -4.727 -26.554 -17.247) 32.014 19.547 ( 14.820 -9.606 9.706) 20.152 19.968 ( 6.849 -0.128 0.441) 6.865 20.096 ( -1.717 -4.280 -0.803) 4.681 20.151 ( -0.989 -7.049 -8.882) 11.382 20.964 ( 17.740 -2.961 15.511) 23.750 21.791 ( 10.267 -12.826 -1.753) 16.523 22.488 ( 10.258 -2.864 -6.254) 12.351 22.788 ( 0.854 -10.068 -5.721) 11.611 24.550 ( 8.965 22.940 6.220) 25.403 25.137 ( -18.162 0.847 3.186) 18.459 26.338 ( -1.638 2.589 6.834) 7.489 26.666 ( 2.105 5.542 -4.248) 7.293 27.442 ( -11.155 18.514 -0.569) 21.623 28.055 ( -27.025 -4.125 -1.801) 27.397 ======================= Grid point 128 (56/175) ======================= q-point: ( 0.04 0.46 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.073 ( 12.504 -47.081 15.589) 51.147 7.850 ( -23.473 -46.238 40.802) 65.983 10.621 ( -3.443 -11.453 17.794) 21.439 11.661 ( -7.623 6.829 -4.387) 11.135 12.069 ( 6.663 17.072 12.851) 22.383 12.804 ( -1.273 0.572 -19.272) 19.322 14.052 ( -1.532 -12.673 8.475) 15.322 14.995 ( 0.041 -6.568 -28.259) 29.012 16.305 ( -24.555 10.960 -10.939) 29.030 17.238 ( 10.316 5.531 -16.292) 20.061 18.976 ( 7.438 11.521 -12.129) 18.307 19.554 ( 4.331 -4.375 -0.097) 6.157 19.702 ( 4.088 1.902 -4.147) 6.126 20.197 ( 7.754 12.358 4.580) 15.291 21.132 ( -8.088 5.173 0.187) 9.603 21.321 ( -0.905 7.109 2.627) 7.632 22.474 ( 2.221 -2.698 -1.176) 3.687 22.836 ( 1.223 4.205 2.715) 5.152 23.753 ( 10.850 4.809 -4.938) 12.854 25.614 ( -6.566 -0.589 8.964) 11.127 26.106 ( -0.125 -5.367 4.740) 7.162 26.648 ( -0.851 -5.347 1.896) 5.737 27.705 ( -6.265 -12.627 23.428) 27.341 29.983 ( -7.733 23.230 -14.640) 28.526 ======================= Grid point 129 (57/175) ======================= q-point: ( 0.04 0.62 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.241 ( 19.314 -17.343 22.831) 34.570 7.770 ( -9.843 -30.958 33.524) 46.681 10.081 ( -13.817 4.848 -11.935) 18.890 10.676 ( -14.727 22.805 -21.821) 34.830 12.130 ( -21.540 3.699 6.945) 22.932 12.864 ( 2.886 39.366 4.846) 39.768 13.638 ( -16.777 17.917 -20.394) 31.913 14.354 ( -38.943 -7.523 8.444) 40.551 16.097 ( 35.747 -31.821 21.253) 52.365 17.552 ( 18.834 -7.410 -23.068) 30.688 19.158 ( 8.684 1.579 -9.186) 12.739 19.815 ( 6.859 0.379 0.907) 6.929 19.920 ( 4.582 -5.276 0.856) 7.041 20.362 ( -4.471 -5.528 -11.675) 13.670 20.686 ( 0.278 4.715 1.199) 4.873 21.344 ( 5.559 -7.204 -0.613) 9.120 22.499 ( 1.130 0.871 -4.592) 4.808 22.774 ( -0.565 -4.861 -4.481) 6.635 24.591 ( 17.876 22.271 7.984) 29.652 25.310 ( -15.977 -6.627 7.035) 18.673 26.235 ( 2.176 -0.025 5.141) 5.582 26.674 ( 0.931 -3.005 2.296) 3.895 27.657 ( -15.259 0.356 18.450) 23.945 29.058 ( -21.035 22.743 -15.936) 34.838 ======================= Grid point 134 (58/175) ======================= q-point: ( 0.04 0.46 -0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.731 ( 29.986 -24.238 31.253) 49.633 6.423 ( -13.218 -44.794 45.143) 64.955 10.391 ( 6.140 -12.145 21.032) 25.051 11.698 ( -5.882 11.721 -9.868) 16.412 11.967 ( -5.624 -12.249 1.115) 13.524 13.299 ( 9.568 22.829 1.625) 24.806 13.791 ( -4.517 -9.289 3.260) 10.832 15.101 ( 4.413 11.258 -23.068) 26.045 15.729 ( -31.181 -1.652 -21.197) 37.739 17.483 ( 10.953 -5.184 -24.099) 26.975 19.327 ( 2.064 6.209 -3.078) 7.231 19.603 ( 7.528 -3.147 -0.347) 8.167 19.867 ( 1.393 7.973 -2.762) 8.553 20.553 ( 1.824 10.243 -2.741) 10.759 20.947 ( -13.741 2.046 -2.465) 14.110 21.365 ( -4.278 3.294 -1.410) 5.581 22.551 ( 5.998 2.288 -1.653) 6.629 22.769 ( -4.411 -5.480 -1.345) 7.162 24.404 ( 24.341 17.601 7.235) 30.897 25.228 ( -15.786 -15.652 11.674) 25.109 26.047 ( 3.628 -3.619 3.350) 6.123 26.459 ( 2.570 -11.087 -1.800) 11.523 27.466 ( -8.577 4.068 28.363) 29.910 30.219 ( -15.593 22.025 -13.183) 30.034 ======================= Grid point 139 (59/175) ======================= q-point: ( 0.04 0.29 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.794 ( 31.533 -32.176 37.573) 58.663 4.645 ( -16.630 -55.634 56.297) 80.876 7.556 ( 50.604 -66.775 72.242) 110.628 12.233 ( -10.345 10.325 -18.925) 23.912 12.804 ( -10.975 4.345 -21.921) 24.897 13.612 ( 6.792 16.390 -5.714) 18.639 13.973 ( -12.838 7.192 -6.522) 16.096 15.562 ( 13.021 5.167 -23.973) 27.766 16.239 ( -7.834 -24.756 -16.855) 30.956 18.199 ( -9.248 19.593 -19.287) 29.007 19.390 ( 1.149 -0.919 -2.601) 2.988 19.524 ( 4.325 1.505 -7.305) 8.622 20.218 ( -10.849 13.305 4.991) 17.878 20.774 ( 8.991 21.310 8.406) 24.609 21.336 ( -19.212 3.855 9.045) 21.582 21.629 ( -3.384 8.146 -12.976) 15.690 22.286 ( 12.459 -5.345 7.515) 15.501 22.819 ( -7.142 -0.255 3.690) 8.042 24.121 ( 20.274 6.776 -3.955) 21.739 24.836 ( -10.591 -25.497 8.405) 28.860 25.850 ( 5.085 -0.661 1.443) 5.327 26.267 ( 2.900 -13.444 -9.262) 16.581 27.013 ( -2.745 3.168 34.290) 34.546 31.096 ( -9.866 19.427 -4.712) 22.292 ======================= Grid point 149 (60/175) ======================= q-point: ( 0.08 -0.08 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.411 ( -79.771 -0.000 0.000) 79.771 3.473 ( -80.981 -0.000 0.000) 80.981 4.331 (-102.467 -0.000 0.000) 102.467 12.804 ( 19.668 0.000 -0.000) 19.668 13.391 ( -13.955 -0.000 0.000) 13.955 13.676 ( 36.981 0.000 -0.000) 36.981 14.275 ( 10.025 0.000 -0.000) 10.025 16.277 ( -8.493 -0.000 0.000) 8.493 16.496 ( -9.958 -0.000 0.000) 9.958 18.599 ( 22.321 0.000 -0.000) 22.321 19.509 ( 3.599 0.000 -0.000) 3.599 19.817 ( 8.430 0.000 -0.000) 8.430 20.059 ( 22.266 0.000 -0.000) 22.266 20.313 ( -6.015 -0.000 0.000) 6.015 20.942 ( -9.154 -0.000 0.000) 9.154 21.864 ( -13.151 -0.000 0.000) 13.151 22.369 ( 14.302 0.000 -0.000) 14.302 22.654 ( 4.752 0.000 -0.000) 4.752 24.276 ( 7.932 0.000 -0.000) 7.932 24.869 ( -11.718 -0.000 0.000) 11.718 25.679 ( 1.598 0.000 -0.000) 1.598 26.115 ( -7.430 -0.000 0.000) 7.430 26.674 ( -6.318 -0.000 0.000) 6.318 31.150 ( 8.915 0.000 -0.000) 8.915 ======================= Grid point 150 (61/175) ======================= q-point: ( 0.08 0.08 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -0.000 -0.000 84.460) 84.460 1.746 ( -0.000 -0.000 84.460) 84.460 2.279 ( -0.000 -0.000 110.787) 110.787 12.885 ( 0.000 0.000 -11.816) 11.816 12.885 ( 0.000 0.000 -11.816) 11.816 14.712 ( 0.000 0.000 -8.501) 8.501 15.083 ( 0.000 0.000 -7.976) 7.976 15.598 ( 0.000 0.000 -15.697) 15.697 15.598 ( 0.000 0.000 -15.697) 15.697 19.310 ( 0.000 0.000 -8.528) 8.528 19.467 ( 0.000 0.000 -9.041) 9.041 19.467 ( 0.000 0.000 -9.041) 9.041 20.705 ( -0.000 -0.000 23.367) 23.367 20.705 ( -0.000 -0.000 23.367) 23.367 21.241 ( -0.000 -0.000 2.233) 2.233 22.433 ( 0.000 0.000 -22.966) 22.966 22.808 ( -0.000 -0.000 5.031) 5.031 22.808 ( -0.000 -0.000 5.031) 5.031 22.992 ( -0.000 -0.000 0.761) 0.761 24.411 ( 0.000 0.000 -15.178) 15.178 25.797 ( 0.000 0.000 -0.281) 0.281 25.797 ( 0.000 0.000 -0.281) 0.281 26.336 ( -0.000 -0.000 36.191) 36.191 32.019 ( 0.000 0.000 -5.398) 5.398 ======================= Grid point 151 (62/175) ======================= q-point: ( 0.08 0.25 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 482 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.450 ( 38.319 -0.000 41.913) 56.790 4.944 ( 56.361 -0.000 58.341) 81.118 6.916 ( 73.711 -0.000 78.987) 108.038 12.366 ( -12.013 0.000 -19.802) 23.161 12.891 ( 14.902 0.000 -23.435) 27.772 13.546 ( -30.301 -0.000 -6.246) 30.938 14.132 ( -11.380 0.000 -7.234) 13.485 15.381 ( 0.610 0.000 -29.061) 29.067 16.335 ( 29.966 0.000 -16.119) 34.026 18.308 ( -23.813 0.000 -19.111) 30.533 19.359 ( 1.664 0.000 -2.162) 2.728 19.488 ( -2.167 0.000 -7.205) 7.524 20.389 ( -18.014 -0.000 0.585) 18.024 20.626 ( -21.160 -0.000 18.294) 27.971 21.607 ( -17.240 -0.000 17.904) 24.855 21.663 ( -8.781 0.000 -17.220) 19.330 22.091 ( 14.643 0.000 3.805) 15.130 22.922 ( -3.428 -0.000 9.110) 9.734 23.875 ( 0.333 0.000 -12.834) 12.838 24.960 ( 27.043 0.000 8.721) 28.415 25.780 ( 0.295 -0.000 1.529) 1.558 26.240 ( 15.456 0.000 -9.928) 18.370 27.043 ( -3.280 -0.000 35.794) 35.944 31.202 ( -21.430 -0.000 -4.447) 21.887 ======================= Grid point 152 (63/175) ======================= q-point: ( 0.08 0.42 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.941 ( 49.225 0.000 17.547) 52.259 8.135 ( 43.486 -0.000 40.871) 59.678 10.628 ( 27.304 -0.000 31.180) 41.446 11.698 ( -1.578 -0.000 8.208) 8.358 12.042 ( -29.905 -0.000 -5.988) 30.499 12.794 ( 3.939 0.000 -25.277) 25.582 14.102 ( 9.759 0.000 2.727) 10.133 14.975 ( 14.037 0.000 -24.648) 28.365 16.558 ( -16.817 0.000 -16.993) 23.908 17.153 ( -2.772 0.000 -13.213) 13.501 18.894 ( -15.331 0.000 -11.982) 19.458 19.506 ( 4.248 0.000 0.147) 4.250 19.660 ( -2.623 0.000 -5.452) 6.050 20.108 ( -15.438 -0.000 7.666) 17.236 21.238 ( -9.410 -0.000 6.836) 11.631 21.315 ( -7.833 -0.000 0.499) 7.849 22.448 ( 4.371 0.000 -1.617) 4.660 22.817 ( -7.316 -0.000 3.827) 8.256 23.640 ( 1.030 0.000 -9.177) 9.235 25.683 ( -1.234 -0.000 8.113) 8.206 26.109 ( 6.733 -0.000 5.643) 8.785 26.657 ( 6.163 0.000 1.827) 6.428 27.771 ( 13.234 -0.000 23.961) 27.373 30.063 ( -23.183 0.000 -14.758) 27.482 ======================= Grid point 153 (64/175) ======================= q-point: ( 0.08 -0.42 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 482 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.628 ( -1.683 -0.000 15.651) 15.742 9.066 ( -25.011 0.000 -11.522) 27.537 10.278 ( -1.711 -0.000 1.452) 2.244 10.912 ( -6.788 0.000 -41.701) 42.250 12.186 ( 3.453 -0.000 18.346) 18.668 13.279 ( -1.438 -0.000 20.807) 20.857 14.463 ( -10.472 -0.000 -4.355) 11.342 15.605 ( 33.021 0.000 0.942) 33.035 15.887 ( 2.133 -0.000 6.502) 6.843 16.758 ( -0.520 -0.000 2.788) 2.836 18.564 ( 12.439 0.000 -16.785) 20.892 19.606 ( -0.205 0.000 -2.436) 2.445 19.676 ( 0.014 -0.000 11.648) 11.648 19.912 ( -0.313 -0.000 2.439) 2.459 20.875 ( -4.177 0.000 -7.899) 8.935 21.212 ( 0.217 -0.000 4.074) 4.080 22.510 ( 0.941 0.000 -2.061) 2.265 22.614 ( -1.970 0.000 -2.425) 3.124 23.666 ( 4.870 0.000 -0.651) 4.914 25.687 ( -4.737 -0.000 5.328) 7.130 26.225 ( -4.021 -0.000 1.368) 4.247 26.701 ( -2.129 -0.000 -0.183) 2.137 28.187 ( -17.868 0.000 -13.354) 22.307 29.520 ( 15.485 -0.000 10.366) 18.635 ======================= Grid point 154 (65/175) ======================= q-point: ( 0.08 -0.25 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.199 ( -68.810 -0.000 23.135) 72.595 6.678 ( -62.503 -0.000 -23.004) 66.602 8.738 ( -69.442 0.000 -44.102) 82.263 11.428 ( 38.397 0.000 -3.616) 38.567 12.135 ( 22.807 0.000 -1.385) 22.849 13.855 ( -3.633 -0.000 18.837) 19.184 14.360 ( -7.068 -0.000 6.131) 9.357 15.889 ( 1.024 -0.000 18.468) 18.497 16.745 ( 10.686 0.000 -9.257) 14.137 17.548 ( 24.281 0.000 9.062) 25.917 19.043 ( 19.143 0.000 -0.967) 19.167 19.537 ( -2.318 -0.000 0.157) 2.323 19.751 ( -0.441 0.000 -6.531) 6.545 20.269 ( 7.436 -0.000 13.477) 15.392 20.985 ( 11.262 0.000 2.929) 11.636 21.378 ( 9.117 0.000 -2.706) 9.510 22.454 ( -4.936 -0.000 -0.874) 5.013 22.538 ( 4.451 0.000 -7.568) 8.780 23.931 ( 5.852 -0.000 3.344) 6.741 25.491 ( -11.966 -0.000 3.309) 12.415 25.840 ( -8.035 0.000 -7.474) 10.974 26.523 ( -3.379 0.000 -9.457) 10.043 27.073 ( -16.531 -0.000 -4.140) 17.042 30.538 ( 18.178 0.000 6.918) 19.449 ======================= Grid point 162 (66/175) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.663 ( 33.851 33.851 32.869) 58.070 4.680 ( 54.816 54.816 -14.815) 78.925 7.453 ( 65.153 65.153 54.296) 106.948 12.260 ( -15.677 -15.677 -8.417) 23.715 12.751 ( -25.527 -25.527 -11.452) 37.873 13.654 ( -16.701 -16.701 -1.594) 23.673 13.853 ( -0.407 -0.407 0.732) 0.931 15.810 ( -15.861 -15.861 -4.931) 22.967 16.534 ( 7.797 7.797 -11.597) 16.003 18.304 ( -5.524 -5.524 -8.942) 11.873 19.392 ( -2.307 -2.307 0.229) 3.271 19.878 ( 2.431 2.431 -15.038) 15.426 20.078 ( 0.635 0.635 -2.123) 2.305 20.827 ( 1.944 1.944 9.655) 10.039 20.908 ( 0.599 0.599 -1.035) 1.338 21.745 ( -14.201 -14.201 -11.046) 22.921 22.238 ( 6.849 6.849 13.550) 16.656 22.712 ( -1.271 -1.271 0.478) 1.860 24.443 ( -1.104 -1.104 2.637) 3.065 24.543 ( 3.346 3.346 1.324) 4.914 25.865 ( 1.482 1.482 4.630) 5.082 26.447 ( 2.693 2.693 16.813) 17.240 26.526 ( 3.265 3.265 -7.241) 8.589 30.888 ( -13.653 -13.653 -1.021) 19.335 ======================= Grid point 163 (67/175) ======================= q-point: ( 0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.307 ( 57.698 8.273 8.680) 58.931 6.830 ( 51.847 6.737 9.073) 53.064 10.201 ( 11.527 1.659 19.893) 23.051 11.426 ( -21.732 -10.728 5.203) 24.788 11.905 ( -11.313 -2.138 9.733) 15.076 12.892 ( -11.623 -19.052 -9.294) 24.176 13.743 ( 3.109 -15.483 12.408) 20.084 15.261 ( -3.845 -18.107 2.756) 18.714 16.035 ( -13.911 -16.896 -33.232) 39.791 17.975 ( 0.082 23.748 -16.966) 29.186 19.339 ( -1.849 9.065 -4.713) 10.383 19.690 ( 2.341 7.227 -1.623) 7.768 19.967 ( -2.237 5.456 -10.734) 12.247 20.347 ( -8.491 12.231 1.403) 14.955 21.049 ( -4.807 -1.320 1.050) 5.095 21.254 ( -0.459 -4.932 -3.305) 5.954 22.537 ( 0.725 4.179 1.673) 4.560 22.783 ( 0.061 2.543 5.715) 6.255 24.014 ( -11.975 9.578 0.957) 15.364 25.234 ( 8.506 -11.721 7.609) 16.359 26.033 ( 3.418 1.738 3.718) 5.341 26.607 ( 1.033 -1.546 0.877) 2.056 27.098 ( 15.213 -9.137 18.239) 25.448 30.010 ( -21.816 -15.529 -10.947) 28.930 ======================= Grid point 164 (68/175) ======================= q-point: ( 0.08 -0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 444 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.764 ( 0.000 13.776 -0.000) 13.776 8.677 ( 0.000 -16.973 0.000) 16.973 10.333 ( 0.000 -2.150 -0.000) 2.150 10.580 ( -0.000 -38.526 -0.000) 38.526 11.278 ( 0.000 -6.595 -0.000) 6.595 12.783 ( 0.000 -26.528 0.000) 26.528 14.596 ( 0.000 -39.325 0.000) 39.325 14.750 ( 0.000 -15.967 0.000) 15.967 15.841 ( 0.000 25.628 0.000) 25.628 17.228 ( 0.000 27.022 0.000) 27.022 19.360 ( 0.000 15.863 0.000) 15.863 19.721 ( 0.000 9.810 0.000) 9.810 19.764 ( 0.000 5.562 -0.000) 5.562 20.241 ( 0.000 8.492 0.000) 8.492 21.057 ( 0.000 3.415 0.000) 3.415 21.155 ( -0.000 0.571 -0.000) 0.571 22.585 ( 0.000 3.360 -0.000) 3.360 22.802 ( 0.000 8.735 0.000) 8.735 23.722 ( 0.000 2.688 -0.000) 2.688 25.451 ( 0.000 -8.141 0.000) 8.141 26.158 ( 0.000 -1.835 -0.000) 1.835 26.610 ( 0.000 -3.458 0.000) 3.458 28.065 ( 0.000 -13.136 -0.000) 13.136 29.042 ( 0.000 -16.390 0.000) 16.390 ======================= Grid point 168 (69/175) ======================= q-point: ( 0.08 -0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.610 ( -21.956 77.915 0.000) 80.949 5.395 ( 28.798 69.460 0.000) 75.193 7.059 ( 51.713 82.246 0.000) 97.152 12.100 ( -8.555 -34.586 -0.000) 35.628 12.686 ( -13.002 -36.027 -0.000) 38.301 13.614 ( -13.888 4.551 0.000) 14.615 14.189 ( -10.601 5.294 0.000) 11.850 16.011 ( -25.071 -12.586 0.000) 28.053 16.672 ( 5.463 5.040 -0.000) 7.433 18.205 ( 5.737 -14.193 -0.000) 15.309 19.403 ( -2.027 -2.791 -0.000) 3.449 19.702 ( 10.111 -6.100 -0.000) 11.808 19.976 ( 23.328 -15.806 -0.000) 28.179 20.364 ( -3.418 1.372 0.000) 3.683 21.155 ( 3.431 8.787 0.000) 9.433 21.677 ( -8.060 -24.331 -0.000) 25.631 22.255 ( -2.781 8.644 0.000) 9.080 22.588 ( 3.511 -5.038 -0.000) 6.141 24.138 ( 2.508 -8.483 -0.000) 8.846 25.029 ( -11.576 17.041 0.000) 20.601 25.746 ( 5.086 1.847 -0.000) 5.411 26.304 ( 3.133 6.247 0.000) 6.988 26.776 ( -4.579 8.117 0.000) 9.320 30.839 ( -7.964 -13.869 -0.000) 15.993 ======================= Grid point 169 (70/175) ======================= q-point: ( 0.08 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.097 ( 35.333 35.333 18.429) 53.259 6.805 ( 47.106 47.106 -22.578) 70.340 9.594 ( 31.914 31.914 26.049) 52.111 11.650 ( -26.216 -26.216 -5.135) 37.430 11.661 ( -9.139 -9.139 9.168) 15.846 13.019 ( -14.761 -14.761 1.214) 20.910 13.176 ( -31.377 -31.377 8.639) 45.208 14.971 ( -17.899 -17.899 4.208) 25.661 16.764 ( -0.281 -0.281 -28.679) 28.682 18.410 ( 9.672 9.672 -5.513) 14.747 19.431 ( 3.639 3.639 1.149) 5.273 19.939 ( 0.711 0.711 -7.737) 7.803 20.132 ( 0.505 0.505 -1.734) 1.875 20.937 ( 3.500 3.500 -2.267) 5.445 21.117 ( 8.937 8.937 -19.342) 23.105 21.124 ( -14.556 -14.556 4.921) 21.165 22.433 ( 3.436 3.436 14.042) 14.859 22.740 ( 3.229 3.229 -0.886) 4.651 24.346 ( -3.525 -3.525 5.523) 7.440 24.651 ( 1.797 1.797 4.698) 5.341 25.950 ( 2.843 2.843 4.032) 5.693 26.539 ( 1.342 1.342 9.358) 9.549 26.582 ( -0.343 -0.343 -1.448) 1.527 30.218 ( -19.100 -19.100 -4.541) 27.391 ======================= Grid point 170 (71/175) ======================= q-point: ( 0.08 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.417 ( 46.671 -1.385 16.303) 49.456 8.090 ( 30.444 22.256 -16.479) 41.155 9.913 ( -6.776 -17.600 1.118) 18.892 10.681 ( -19.175 -23.914 -2.080) 30.722 11.257 ( -32.495 -2.263 13.157) 35.131 12.232 ( -2.957 -33.551 -3.861) 33.902 13.218 ( -1.779 -39.583 27.090) 47.999 15.285 ( -19.348 -22.588 -48.749) 57.106 15.604 ( 28.823 27.222 28.955) 49.094 18.448 ( -9.966 25.198 -16.927) 31.949 19.554 ( 0.424 10.146 1.512) 10.267 19.824 ( -1.049 5.645 -0.226) 5.746 20.084 ( 0.675 4.878 -5.480) 7.368 20.464 ( -5.724 12.482 -5.490) 14.788 20.876 ( -7.538 -2.297 17.564) 19.251 21.329 ( 10.617 -0.580 -17.852) 20.778 22.651 ( -0.607 6.657 4.474) 8.043 22.959 ( 4.920 10.591 1.286) 11.749 23.912 ( -11.771 6.417 2.729) 13.681 25.149 ( 7.326 -12.536 2.291) 14.699 26.125 ( 2.410 2.372 -0.014) 3.382 26.551 ( -1.425 -2.189 1.148) 2.853 27.203 ( 18.660 -15.106 16.441) 29.098 29.155 ( -22.776 -22.290 -11.123) 33.754 ======================= Grid point 171 (72/175) ======================= q-point: ( 0.08 -0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.670 ( -35.520 17.397 -0.670) 39.557 7.960 ( -33.948 -4.895 -12.798) 36.609 9.950 ( 10.021 -16.461 -2.337) 19.412 10.559 ( 21.719 -23.275 10.930) 33.659 11.603 ( 35.524 -1.629 -17.566) 39.663 12.134 ( 3.581 -28.595 2.936) 28.967 13.752 ( -0.112 -40.390 -15.545) 43.278 14.350 ( 12.381 -29.676 31.478) 44.997 16.215 ( -28.059 36.274 -26.762) 53.097 18.002 ( 9.651 28.154 22.779) 37.479 19.507 ( -6.945 11.386 8.601) 15.870 19.842 ( -2.544 5.674 -0.838) 6.274 19.958 ( 0.666 6.073 2.634) 6.653 20.413 ( 3.994 5.154 0.291) 6.527 20.958 ( -9.295 -4.518 16.115) 19.144 21.242 ( 3.505 3.161 -14.962) 15.689 22.649 ( -3.100 7.040 4.120) 8.726 22.951 ( -5.587 4.784 2.222) 7.684 24.009 ( 17.035 10.892 -6.405) 21.210 25.232 ( -1.773 -12.497 -5.671) 13.837 26.148 ( 0.049 1.537 -2.270) 2.742 26.581 ( 3.061 -1.257 -1.938) 3.835 27.532 ( -16.016 -16.625 -14.466) 27.243 28.900 ( 20.933 -21.781 12.958) 32.871 ======================= Grid point 172 (73/175) ======================= q-point: ( 0.08 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.627 ( -28.443 28.443 -32.250) 51.556 6.424 ( -41.994 41.994 10.752) 60.355 10.099 ( -7.772 7.772 -20.109) 22.917 11.531 ( 23.065 -23.065 6.105) 33.185 11.876 ( -3.798 3.798 -9.432) 10.854 13.142 ( 8.781 -8.781 -13.029) 17.999 13.371 ( 25.484 -25.484 -8.794) 37.096 15.084 ( 10.038 -10.038 -6.307) 15.534 16.003 ( 12.132 -12.132 42.971) 46.270 18.190 ( -14.484 14.484 16.080) 26.041 19.448 ( -3.949 3.949 0.346) 5.595 19.802 ( -4.890 4.890 4.635) 8.325 20.026 ( -2.051 2.051 8.649) 9.123 20.797 ( 0.429 -0.429 9.762) 9.781 20.804 ( -0.138 0.138 8.707) 8.709 21.255 ( 6.769 -6.769 -5.338) 10.961 22.666 ( -3.163 3.163 -7.614) 8.831 22.702 ( -1.588 1.588 2.969) 3.723 24.512 ( 3.376 -3.376 -10.409) 11.452 24.785 ( -2.199 2.199 -8.023) 8.605 26.034 ( -2.348 2.348 -3.857) 5.089 26.552 ( -2.350 2.350 1.178) 3.526 26.837 ( 2.264 -2.264 -19.246) 19.510 30.076 ( 20.156 -20.156 9.368) 30.005 ======================= Grid point 174 (74/175) ======================= q-point: ( 0.08 -0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.824 ( -8.041 69.104 0.000) 69.570 7.315 ( 31.872 52.151 0.000) 61.119 9.350 ( 34.575 42.582 0.000) 54.851 11.204 ( -7.727 -32.196 -0.000) 33.111 11.789 ( -16.026 -16.801 -0.000) 23.219 13.114 ( -33.669 -9.599 0.000) 35.010 13.549 ( -38.390 -9.263 0.000) 39.492 15.042 ( -26.940 -16.226 0.000) 31.449 16.975 ( 9.739 0.071 -0.000) 9.739 18.294 ( 16.299 -2.167 -0.000) 16.442 19.448 ( 4.118 2.823 -0.000) 4.993 19.800 ( 9.253 -6.197 -0.000) 11.136 20.165 ( 5.817 -8.891 -0.000) 10.625 20.312 ( 18.778 -8.193 -0.000) 20.488 20.942 ( -8.483 -21.726 -0.000) 23.324 21.498 ( 10.297 8.510 -0.000) 13.358 22.318 ( -4.146 3.741 0.000) 5.584 22.638 ( 8.155 -0.696 -0.000) 8.185 24.009 ( 2.646 -9.506 -0.000) 9.867 25.117 ( -14.541 17.558 0.000) 22.797 25.932 ( 3.709 7.094 0.000) 8.005 26.450 ( 1.781 2.335 0.000) 2.936 26.816 ( -9.369 9.726 0.000) 13.505 30.246 ( -16.549 -18.997 -0.000) 25.195 ======================= Grid point 175 (75/175) ======================= q-point: ( 0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.513 ( 32.546 32.546 10.692) 47.253 8.377 ( 25.387 25.387 -12.603) 38.051 9.885 ( -8.109 -8.109 -10.772) 15.734 10.676 ( -20.716 -20.716 -3.221) 29.473 11.465 ( -5.893 -5.893 15.463) 17.566 11.642 ( -38.346 -38.346 15.209) 56.322 12.425 ( -13.019 -13.019 4.495) 18.952 15.022 ( 22.395 22.395 20.226) 37.579 16.295 ( -21.514 -21.514 -43.431) 53.028 18.770 ( 1.815 1.815 9.171) 9.524 19.625 ( 5.265 5.265 1.700) 7.637 19.992 ( 2.898 2.898 -0.698) 4.158 20.107 ( -1.190 -1.190 -0.293) 1.708 20.629 ( -8.677 -8.677 10.156) 15.929 21.130 ( 5.725 5.725 -8.538) 11.767 21.532 ( 9.481 9.481 -28.467) 31.467 22.596 ( 5.377 5.377 13.824) 15.778 23.012 ( 9.644 9.644 -3.175) 14.003 24.173 ( -4.362 -4.362 4.968) 7.920 24.674 ( -0.843 -0.843 5.049) 5.188 26.122 ( 5.960 5.960 2.171) 8.704 26.516 ( -2.495 -2.495 2.160) 4.137 26.545 ( -0.899 -0.899 5.866) 6.002 29.327 ( -23.892 -23.892 -5.522) 34.236 ======================= Grid point 176 (76/175) ======================= q-point: ( 0.08 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.102 ( 11.048 6.459 11.051) 16.908 8.681 ( -7.370 8.896 -9.322) 14.844 9.405 ( 0.516 -17.750 4.038) 18.211 9.802 ( -10.017 -19.027 -0.261) 21.505 11.141 ( 12.303 -7.532 10.400) 17.783 11.493 ( 6.797 -25.805 -7.097) 27.613 12.599 ( 10.217 -19.762 13.826) 26.193 14.239 ( -23.425 -33.022 -45.076) 60.589 16.938 ( 26.824 35.046 31.431) 54.182 18.504 ( -20.806 11.051 -0.535) 23.565 19.660 ( -6.781 7.821 2.211) 10.585 19.955 ( 1.666 5.636 0.992) 5.960 20.122 ( -1.470 0.518 -2.584) 3.018 20.536 ( -10.272 2.629 6.882) 12.641 20.748 ( -2.016 6.269 -2.464) 7.031 21.543 ( 9.808 -1.178 -20.610) 22.855 22.792 ( -2.866 11.023 6.898) 13.316 23.194 ( -10.663 9.963 5.778) 15.696 24.010 ( 11.242 7.878 -4.506) 14.448 24.998 ( 4.881 -14.787 -1.351) 15.630 26.244 ( -0.321 5.309 -0.653) 5.359 26.545 ( 4.490 2.362 -1.747) 5.366 27.239 ( 16.783 -17.107 12.246) 26.912 28.217 ( -16.530 -26.763 -7.404) 32.316 ======================= Grid point 177 (77/175) ======================= q-point: ( 0.08 -0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.282 ( -23.108 23.108 -24.807) 41.029 7.648 ( -27.793 27.793 11.012) 40.819 9.899 ( 12.523 -12.523 -2.849) 17.937 10.555 ( 21.609 -21.609 5.248) 31.007 11.638 ( 16.591 -16.591 0.619) 23.471 12.493 ( 27.772 -27.772 -20.071) 44.107 13.033 ( 19.114 -19.114 -21.036) 34.253 14.169 ( 23.226 -23.226 47.583) 57.819 16.284 ( -36.437 36.437 -33.138) 61.265 18.424 ( -12.429 12.429 24.208) 29.916 19.590 ( -6.687 6.687 11.587) 14.956 19.936 ( -2.606 2.606 4.544) 5.851 19.954 ( -2.741 2.741 -0.421) 3.899 20.613 ( -1.502 1.502 13.386) 13.553 20.657 ( -0.522 0.522 4.336) 4.398 21.325 ( -0.570 0.570 -14.948) 14.970 22.743 ( -8.040 8.040 9.663) 14.922 22.853 ( -3.010 3.010 0.559) 4.294 24.521 ( 7.464 -7.464 -11.332) 15.487 24.933 ( 2.527 -2.527 -5.857) 6.861 26.185 ( -1.806 1.806 -1.917) 3.193 26.677 ( -1.793 1.793 -4.347) 5.033 27.054 ( 4.555 -4.555 -16.492) 17.706 28.902 ( 24.174 -24.174 14.287) 37.052 ======================= Grid point 180 (78/175) ======================= q-point: ( 0.08 -0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.047 ( -0.104 55.252 0.000) 55.252 8.566 ( 11.349 17.387 0.000) 20.763 9.882 ( 0.501 -15.360 -0.000) 15.369 10.659 ( -2.801 -9.723 -0.000) 10.118 11.310 ( -23.400 -8.805 0.000) 25.002 11.857 ( -38.741 -9.118 0.000) 39.799 12.768 ( -33.445 1.516 0.000) 33.479 14.885 ( 13.499 20.992 0.000) 24.957 16.695 ( -13.274 -24.295 -0.000) 27.685 18.464 ( 4.354 -11.992 -0.000) 12.758 19.604 ( 5.665 1.941 -0.000) 5.989 19.859 ( 8.969 -3.832 -0.000) 9.753 20.069 ( 1.413 0.448 -0.000) 1.483 20.481 ( -3.563 -9.211 -0.000) 9.876 20.723 ( 29.551 -8.980 -0.000) 30.885 21.930 ( 18.064 3.797 -0.000) 18.459 22.256 ( -4.516 -0.707 0.000) 4.571 22.902 ( 13.981 1.426 -0.000) 14.053 23.895 ( 3.291 -4.147 -0.000) 5.294 25.142 ( -16.443 15.393 0.000) 22.524 26.178 ( 1.875 10.693 0.000) 10.856 26.473 ( 0.260 -1.148 -0.000) 1.178 26.805 ( -14.095 13.545 0.000) 19.549 29.400 ( -23.438 -22.444 0.000) 32.451 ======================= Grid point 181 (79/175) ======================= q-point: ( 0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.677 ( 22.780 22.780 8.921) 33.429 8.708 ( -4.672 -4.672 10.500) 12.406 9.414 ( -12.976 -12.976 -7.125) 19.685 9.810 ( -23.035 -23.035 -4.369) 32.868 10.536 ( -9.642 -9.642 17.335) 22.055 11.199 ( -10.975 -10.975 -4.002) 16.029 12.430 ( 20.001 20.001 -12.506) 30.928 15.140 ( -33.035 -33.035 -42.478) 63.143 16.290 ( 33.268 33.268 29.611) 55.590 18.425 ( -16.470 -16.470 24.712) 33.959 19.835 ( 4.694 4.694 0.728) 6.678 20.086 ( 0.709 0.709 0.882) 1.336 20.087 ( -0.041 -0.041 -4.498) 4.498 20.368 ( -4.975 -4.975 9.181) 11.567 21.438 ( 8.717 8.717 -13.383) 18.196 21.786 ( 2.377 2.377 -24.584) 24.813 22.903 ( 8.959 8.959 6.492) 14.236 23.357 ( 3.525 3.525 -3.144) 5.894 24.095 ( 2.651 2.651 4.255) 5.671 24.575 ( -4.009 -4.009 4.439) 7.200 26.410 ( 2.351 2.351 6.847) 7.612 26.415 ( -1.924 -1.924 4.858) 5.568 26.575 ( 9.129 9.129 -2.524) 13.154 28.292 ( -25.748 -25.748 -5.475) 36.823 ======================= Grid point 182 (80/175) ======================= q-point: ( 0.08 -0.75 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.231 ( -12.666 12.666 12.116) 21.625 8.483 ( -15.176 15.176 -12.240) 24.707 9.432 ( 20.330 -20.330 14.604) 32.248 9.482 ( 7.978 -7.978 2.251) 11.504 10.930 ( 14.027 -14.027 0.167) 19.838 11.550 ( 23.879 -23.879 15.852) 37.306 13.029 ( 6.052 -6.052 -33.267) 34.351 13.138 ( 7.760 -7.760 -22.114) 24.688 17.847 ( -15.248 15.248 9.233) 23.458 18.152 ( -3.707 3.707 32.480) 32.901 19.672 ( -8.020 8.020 -0.986) 11.385 20.028 ( 0.647 -0.647 -2.816) 2.961 20.137 ( -7.096 7.096 2.803) 10.420 20.363 ( -0.515 0.515 13.067) 13.087 20.844 ( -7.209 7.209 -16.515) 19.408 21.635 ( 5.309 -5.309 -19.449) 20.848 22.949 ( -5.576 5.576 4.623) 9.141 23.072 ( -16.206 16.206 9.848) 24.945 24.357 ( 8.852 -8.852 -7.295) 14.489 24.813 ( 7.511 -7.511 -1.762) 10.767 26.279 ( -3.150 3.150 1.652) 4.751 26.782 ( 0.943 -0.943 1.501) 2.008 27.173 ( 3.143 -3.143 -11.179) 12.031 27.659 ( 20.260 -20.260 8.897) 30.002 ======================= Grid point 185 (81/175) ======================= q-point: ( 0.08 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.515 ( 0.107 50.152 11.362) 51.423 7.755 ( -2.656 52.909 -5.091) 53.219 9.908 ( 8.655 18.075 -32.504) 38.185 10.666 ( 0.556 -29.451 -1.921) 29.519 11.971 ( -10.102 12.755 0.424) 16.277 13.507 ( -22.658 -8.642 11.166) 26.697 14.166 ( -24.288 3.421 2.608) 24.666 15.457 ( -29.397 -12.248 -9.791) 33.317 16.481 ( 1.816 -11.071 19.746) 22.711 17.491 ( 31.577 -15.383 9.457) 36.375 18.908 ( 22.473 -18.677 -6.040) 29.838 19.600 ( 5.128 -0.734 -2.639) 5.814 19.843 ( -0.563 0.130 4.030) 4.071 20.140 ( 4.196 -1.910 7.417) 8.733 20.714 ( -1.256 -11.026 -8.299) 13.857 21.340 ( 5.246 -0.737 2.220) 5.744 22.487 ( 0.083 -0.294 -3.330) 3.344 22.537 ( 2.762 1.265 -3.137) 4.367 23.808 ( 0.686 -6.669 1.154) 6.803 25.605 ( -7.149 8.859 4.915) 12.400 26.084 ( 1.413 11.421 0.187) 11.509 26.571 ( -0.919 1.836 -6.355) 6.678 27.386 ( -6.837 20.500 -9.921) 23.778 30.041 ( -9.567 -20.550 7.870) 23.995 ======================= Grid point 186 (82/175) ======================= q-point: ( 0.08 -0.08 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.960 ( -0.110 31.240 0.000) 31.240 8.618 ( -6.516 -4.414 0.000) 7.870 9.370 ( -8.940 -17.720 -0.000) 19.848 9.917 ( -29.529 -25.687 0.000) 39.138 10.653 ( -16.418 14.237 0.000) 21.731 11.700 ( -30.679 9.624 0.000) 32.153 12.656 ( 20.248 27.131 0.000) 33.854 15.571 ( -30.172 -37.285 -0.000) 47.964 16.007 ( 28.191 33.349 0.000) 43.668 18.001 ( -11.259 -21.758 -0.000) 24.499 19.762 ( 8.589 -0.603 -0.000) 8.610 19.970 ( 6.345 -0.786 -0.000) 6.393 20.114 ( -0.139 -2.485 -0.000) 2.489 20.252 ( -2.775 -6.263 -0.000) 6.850 21.240 ( 29.651 -2.105 -0.000) 29.725 22.084 ( 0.599 -11.651 -0.000) 11.666 22.377 ( 18.712 1.214 -0.000) 18.751 23.011 ( 8.336 -15.312 -0.000) 17.434 24.170 ( 7.786 18.697 0.000) 20.253 25.046 ( -19.896 10.671 0.000) 22.577 26.370 ( -2.613 6.637 0.000) 7.133 26.480 ( 0.563 0.656 0.000) 0.864 26.897 ( -8.407 23.023 0.000) 24.510 28.408 ( -27.281 -21.648 0.000) 34.826 ======================= Grid point 187 (83/175) ======================= q-point: ( 0.08 0.08 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.360 ( -11.244 -11.244 12.494) 20.222 8.360 ( 11.244 11.244 12.494) 20.222 9.170 ( -4.317 -4.317 -0.642) 6.140 9.170 ( 4.317 4.317 -0.642) 6.140 10.657 ( -11.494 -11.494 5.101) 17.037 10.657 ( 11.494 11.494 5.101) 17.037 13.694 ( -35.734 -35.734 -33.633) 60.704 13.694 ( 35.734 35.734 -33.633) 60.704 17.534 ( -26.340 -26.340 30.101) 47.893 17.534 ( 26.340 26.340 30.101) 47.893 20.002 ( -3.199 -3.199 -3.141) 5.508 20.002 ( 3.199 3.199 -3.141) 5.508 20.183 ( -3.808 -3.808 5.046) 7.380 20.183 ( 3.808 3.808 5.046) 7.380 21.735 ( -4.117 -4.117 -17.972) 18.892 21.735 ( 4.117 4.117 -17.972) 18.892 23.247 ( -6.463 -6.463 -0.115) 9.140 23.247 ( 6.463 6.463 -0.115) 9.140 24.346 ( -6.380 -6.380 3.778) 9.782 24.346 ( 6.380 6.380 3.778) 9.782 26.385 ( -0.136 -0.136 6.434) 6.437 26.385 ( 0.136 0.136 6.434) 6.437 27.283 ( -22.196 -22.196 -4.665) 31.735 27.283 ( 22.196 22.196 -4.665) 31.735 ======================= Grid point 193 (84/175) ======================= q-point: ( 0.08 -0.25 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.117 ( -3.603 10.927 12.222) 16.785 8.617 ( -0.791 29.594 2.234) 29.689 9.902 ( -8.233 -7.642 -25.741) 28.085 10.522 ( 4.435 1.942 -0.205) 4.846 11.497 ( -32.131 -1.127 22.845) 39.441 12.832 ( -35.330 -4.028 -18.970) 40.302 13.688 ( -37.664 7.291 -2.529) 38.446 15.244 ( 14.200 22.292 -12.345) 29.172 16.072 ( -11.840 -21.420 25.885) 35.624 17.765 ( 28.383 -25.289 7.108) 38.673 19.033 ( 23.789 -17.169 -2.931) 29.484 19.695 ( 5.891 -1.024 -2.139) 6.351 19.948 ( 11.558 3.308 2.618) 12.304 20.242 ( 5.308 -3.042 0.844) 6.176 20.528 ( -5.155 -0.723 -12.005) 13.085 21.487 ( 10.441 -3.010 4.962) 11.946 22.437 ( -2.692 -0.837 -4.407) 5.232 22.736 ( 8.123 3.506 -1.739) 9.016 23.765 ( 6.281 0.508 1.186) 6.412 25.601 ( -8.951 6.675 3.567) 11.722 26.288 ( -0.697 6.119 7.415) 9.639 26.588 ( -3.185 5.633 -2.700) 7.012 27.626 ( -13.085 22.553 -11.939) 28.678 29.325 ( -18.199 -19.921 6.538) 27.763 ======================= Grid point 194 (85/175) ======================= q-point: ( 0.08 -0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.376 ( -8.560 3.949 0.000) 9.428 8.376 ( -3.949 8.560 0.000) 9.428 9.152 ( -2.987 -4.417 0.000) 5.332 9.152 ( 4.417 2.987 0.000) 5.332 11.041 ( -35.510 4.862 0.000) 35.842 11.041 ( -4.862 35.510 0.000) 35.842 14.063 ( -36.638 -39.297 -0.000) 53.727 14.063 ( 39.297 36.638 -0.000) 53.727 17.162 ( -23.558 -25.201 -0.000) 34.497 17.162 ( 25.201 23.558 -0.000) 34.497 19.949 ( 1.638 -6.812 0.000) 7.006 19.949 ( 6.812 -1.638 0.000) 7.006 20.102 ( -1.474 -4.912 -0.000) 5.128 20.102 ( 4.912 1.474 -0.000) 5.128 21.757 ( 5.461 -16.189 0.000) 17.085 21.757 ( 16.189 -5.461 0.000) 17.085 22.750 ( 4.376 -20.221 -0.000) 20.689 22.750 ( 20.221 -4.376 -0.000) 20.689 24.722 ( -21.671 2.461 0.000) 21.810 24.722 ( -2.461 21.671 0.000) 21.810 26.439 ( -5.082 4.348 0.000) 6.688 26.439 ( -4.348 5.082 0.000) 6.688 27.475 ( -26.911 -11.596 0.000) 29.303 27.475 ( 11.596 26.911 0.000) 29.303 ======================= Grid point 199 (86/175) ======================= q-point: ( 0.08 0.58 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.287 ( 5.850 -31.722 21.958) 39.021 9.123 ( -14.976 -8.022 15.824) 23.217 10.538 ( -5.901 10.998 -5.943) 13.823 10.999 ( -13.999 11.990 -29.723) 34.974 11.835 ( -11.434 16.592 6.368) 21.132 13.180 ( -5.986 -14.109 20.394) 25.511 14.560 ( -16.986 -5.640 -18.496) 25.738 14.885 ( 12.409 -22.760 15.754) 30.335 15.906 ( -4.436 8.274 -4.713) 10.505 16.887 ( 5.865 1.246 -5.226) 7.954 18.564 ( 16.137 -5.879 -18.426) 25.189 19.616 ( 3.265 -1.884 -1.794) 4.174 19.740 ( 4.893 -0.681 6.265) 7.979 20.051 ( 8.543 4.929 0.379) 9.870 20.970 ( -7.915 7.804 -4.924) 12.157 21.274 ( 1.861 3.404 4.413) 5.876 22.489 ( 0.497 -2.051 -1.869) 2.819 22.742 ( 4.300 5.633 -1.389) 7.221 23.628 ( 6.597 -0.711 -2.364) 7.044 25.726 ( -3.958 2.749 5.138) 7.044 26.249 ( -1.542 -0.537 3.990) 4.311 26.745 ( -2.338 4.134 4.863) 6.797 28.291 ( -7.392 -2.426 5.470) 9.511 29.320 ( -8.378 7.948 -6.116) 13.068 ======================= Grid point 200 (87/175) ======================= q-point: ( 0.08 0.75 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.024 ( 2.843 -9.484 23.410) 25.418 8.801 ( -12.182 -6.663 14.229) 19.881 9.550 ( -11.869 2.638 -30.913) 33.218 10.059 ( -23.664 -4.910 0.323) 24.170 11.668 ( -14.892 29.710 -11.944) 35.315 12.411 ( -8.394 21.915 8.401) 24.926 13.079 ( -27.385 11.025 -3.462) 29.723 15.106 ( -28.154 -28.928 21.991) 45.969 16.303 ( 27.523 22.996 -13.225) 38.227 17.634 ( 15.433 -28.858 -4.647) 33.054 19.192 ( 19.601 -10.295 5.186) 22.740 19.818 ( 7.579 -0.868 -1.150) 7.715 20.081 ( 3.615 -7.225 1.924) 8.305 20.237 ( -6.229 -3.653 -9.980) 12.319 20.609 ( 14.265 4.712 1.437) 15.091 21.552 ( 10.410 -12.921 -0.196) 16.594 22.402 ( 0.160 1.260 -3.467) 3.692 22.788 ( -0.342 -5.736 -3.873) 6.929 24.264 ( 17.471 20.349 4.057) 27.126 25.471 ( -13.579 1.510 3.793) 14.180 26.336 ( 1.544 0.544 5.610) 5.844 26.674 ( -3.646 7.427 1.615) 8.429 27.749 ( -16.448 17.677 -3.654) 24.421 28.582 ( -23.676 -5.898 -0.744) 24.411 ======================= Grid point 205 (88/175) ======================= q-point: ( 0.08 0.58 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.880 ( 15.182 -23.632 32.009) 42.586 8.148 ( -24.674 -35.157 38.690) 57.807 10.385 ( -15.020 2.439 -12.970) 19.994 10.970 ( -14.596 19.577 -24.177) 34.363 12.459 ( -3.719 3.485 -4.098) 6.540 12.757 ( 0.540 22.222 16.570) 27.725 14.019 ( -17.488 1.198 -21.475) 27.721 14.814 ( 5.857 -17.271 16.560) 24.634 15.673 ( -6.464 -15.205 0.012) 16.522 17.154 ( 18.541 -4.686 -20.335) 27.915 18.944 ( 11.450 12.395 -9.240) 19.239 19.675 ( 6.351 -1.253 0.505) 6.493 19.789 ( 7.107 -5.483 -0.562) 8.993 20.372 ( 4.352 6.739 -0.872) 8.069 20.817 ( -13.715 3.156 -4.913) 14.907 21.318 ( -1.833 -0.600 0.174) 1.936 22.475 ( 1.390 -0.032 -3.023) 3.328 22.803 ( -1.914 -3.462 -3.648) 5.381 24.147 ( 23.782 18.468 4.639) 30.466 25.592 ( -10.935 -3.103 6.323) 13.007 26.189 ( 1.456 -2.860 3.384) 4.664 26.701 ( -2.608 -5.288 5.402) 7.997 27.957 ( -12.990 -2.440 20.056) 24.019 29.434 ( -15.099 22.542 -15.773) 31.383 ======================= Grid point 206 (89/175) ======================= q-point: ( 0.08 0.75 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.011 ( 2.597 -2.597 28.065) 28.304 8.375 ( 7.854 -7.854 25.690) 27.988 9.530 ( -4.627 4.627 -19.389) 20.463 9.722 ( -16.260 16.260 -36.603) 43.226 11.886 ( -23.549 23.549 10.329) 34.868 12.315 ( -28.179 28.179 -13.832) 42.183 13.818 ( -2.717 2.717 14.073) 14.588 13.834 ( -4.618 4.618 14.265) 15.689 17.008 ( 18.814 -18.814 0.482) 26.612 17.330 ( 6.650 -6.650 -21.806) 23.747 19.337 ( 10.077 -10.077 11.267) 18.167 19.969 ( 2.635 -2.635 1.643) 4.073 19.979 ( 3.030 -3.030 -3.346) 5.437 20.031 ( 4.759 -4.759 -12.334) 14.051 20.897 ( 4.506 -4.506 12.238) 13.798 21.462 ( 15.284 -15.284 -10.116) 23.864 22.460 ( 0.668 -0.668 0.348) 1.007 22.669 ( 2.163 -2.163 -6.781) 7.439 24.967 ( -7.274 7.274 8.026) 13.048 25.093 ( -4.410 4.410 1.317) 6.374 26.387 ( -1.317 1.317 8.071) 8.283 26.701 ( 1.908 -1.908 -4.520) 5.264 27.708 ( -11.971 11.971 14.498) 22.290 28.281 ( -21.071 21.071 -14.571) 33.171 ======================= Grid point 210 (90/175) ======================= q-point: ( 0.08 0.42 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.233 ( 17.437 -31.832 37.853) 52.442 6.854 ( -24.456 -49.243 51.776) 75.523 10.049 ( 23.503 -41.868 50.216) 69.477 11.722 ( -2.330 1.842 -13.716) 14.034 12.280 ( -18.715 3.826 -16.824) 25.455 13.071 ( 13.994 20.555 -9.757) 26.713 13.870 ( -4.988 -5.502 -0.480) 7.442 14.945 ( 9.739 1.750 -27.287) 29.026 16.286 ( -20.450 -14.674 -20.777) 32.637 17.350 ( 2.648 9.422 -27.028) 28.746 19.293 ( 1.297 12.151 -0.876) 12.251 19.471 ( 4.748 -2.947 0.270) 5.595 19.840 ( 0.928 15.670 -6.730) 17.079 20.505 ( 2.226 17.152 6.056) 18.326 21.241 ( -12.596 5.500 -0.433) 13.751 21.470 ( -5.626 6.825 2.935) 9.319 22.414 ( 6.655 -2.860 -0.616) 7.270 22.884 ( -6.397 0.329 1.167) 6.511 23.900 ( 22.272 9.294 -1.775) 24.199 25.514 ( -11.474 -11.548 12.189) 20.337 25.969 ( 3.858 -6.868 3.877) 8.779 26.421 ( 1.392 -15.209 -2.995) 15.563 27.612 ( -5.167 2.953 30.814) 31.384 30.466 ( -8.177 23.291 -12.977) 27.888 ======================= Grid point 211 (91/175) ======================= q-point: ( 0.08 0.58 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.001 ( 13.267 -13.267 37.940) 42.325 7.237 ( 12.041 -12.041 42.884) 46.141 10.221 ( -8.866 8.866 -16.042) 20.361 11.068 ( -15.212 15.212 -24.952) 32.946 12.210 ( -3.429 3.429 14.619) 15.402 13.354 ( -7.731 7.731 -8.857) 14.070 13.997 ( -4.638 4.638 13.013) 14.573 14.415 ( -21.268 21.268 -26.095) 39.819 15.427 ( 28.358 -28.358 15.053) 42.836 17.297 ( 15.985 -15.985 -23.324) 32.481 19.248 ( -4.168 4.168 -3.020) 6.623 19.760 ( 7.027 -7.027 0.058) 9.938 19.890 ( -1.837 1.837 2.493) 3.600 20.293 ( -3.067 3.067 -13.380) 14.066 20.798 ( -5.042 5.042 3.599) 7.988 21.245 ( 1.215 -1.215 -4.843) 5.139 22.528 ( -0.972 0.972 -3.969) 4.200 22.688 ( 2.825 -2.825 -4.410) 5.950 24.990 ( -2.774 2.774 10.250) 10.976 25.110 ( 0.098 -0.098 6.146) 6.148 26.208 ( 3.157 -3.157 5.318) 6.944 26.539 ( 6.955 -6.955 -0.260) 9.839 27.801 ( -11.485 11.485 24.774) 29.624 29.522 ( -21.340 21.340 -16.847) 34.563 ======================= Grid point 216 (92/175) ======================= q-point: ( 0.08 0.42 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.406 ( 20.227 -20.227 48.843) 56.603 5.668 ( 14.188 -14.188 57.105) 60.528 9.877 ( 36.816 -36.816 51.865) 73.490 11.691 ( 0.831 -0.831 -14.694) 14.741 12.081 ( -12.731 12.731 -21.410) 27.975 13.624 ( 4.054 -4.054 -11.426) 12.784 13.633 ( -7.628 7.628 3.744) 11.419 15.322 ( -1.007 1.007 -19.042) 19.095 15.619 ( 1.286 -1.286 -31.445) 31.497 17.477 ( -4.936 4.936 -30.213) 31.009 19.374 ( 0.283 -0.283 -0.580) 0.704 19.526 ( 4.461 -4.461 -2.067) 6.639 20.121 ( -13.657 13.657 7.751) 20.811 20.782 ( -9.926 9.926 -6.958) 15.667 21.063 ( -11.150 11.150 4.601) 16.426 21.432 ( -3.700 3.700 -3.451) 6.268 22.582 ( 5.157 -5.157 0.384) 7.303 22.673 ( -2.456 2.456 -3.449) 4.895 24.742 ( 4.197 -4.197 11.009) 12.508 24.782 ( 7.805 -7.805 10.056) 14.932 25.969 ( 4.054 -4.054 1.644) 5.964 26.248 ( 8.567 -8.567 -4.371) 12.879 27.605 ( -7.815 7.815 33.290) 35.077 30.632 ( -17.651 17.651 -12.137) 27.756 ======================= Grid point 221 (93/175) ======================= q-point: ( 0.08 0.25 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.444 ( 15.689 -15.689 65.873) 69.509 3.755 ( 14.221 -14.221 71.207) 73.993 6.225 ( 59.476 -59.476 83.505) 118.524 12.395 ( -6.657 6.657 -21.986) 23.917 12.766 ( 6.985 -6.985 -24.213) 26.151 13.916 ( -14.643 14.643 -9.930) 22.967 14.274 ( -17.209 17.209 -9.395) 26.088 15.608 ( 9.041 -9.041 -22.482) 25.864 15.711 ( 15.947 -15.947 -22.907) 32.145 18.569 ( -15.063 15.063 -19.975) 29.202 19.368 ( 1.455 -1.455 -4.313) 4.779 19.481 ( 4.061 -4.061 -9.065) 10.731 20.537 ( -16.353 16.353 14.015) 27.042 21.119 ( -4.052 4.052 14.466) 15.559 21.462 ( -14.128 14.128 11.774) 23.191 21.769 ( -5.114 5.114 -20.707) 21.934 22.188 ( 4.518 -4.518 14.354) 15.711 22.842 ( -4.414 4.414 3.685) 7.249 24.151 ( 18.212 -18.212 -2.499) 25.877 24.342 ( 6.971 -6.971 -1.479) 9.969 25.832 ( 1.972 -1.972 0.007) 2.789 26.016 ( 9.185 -9.185 -7.484) 14.991 27.086 ( -3.144 3.144 38.885) 39.138 31.461 ( -14.826 14.826 -4.138) 21.371 ======================= Grid point 225 (94/175) ======================= q-point: ( 0.12 -0.12 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.993 ( -73.670 -0.000 0.000) 73.670 5.082 ( -74.999 -0.000 0.000) 74.999 6.377 ( -95.490 -0.000 0.000) 95.490 12.192 ( 37.048 0.000 -0.000) 37.048 12.818 ( 39.314 0.000 -0.000) 39.314 13.789 ( -17.591 -0.000 0.000) 17.591 14.263 ( -6.108 -0.000 0.000) 6.108 16.329 ( 3.725 0.000 -0.000) 3.725 16.603 ( -0.831 -0.000 0.000) 0.831 18.135 ( 22.861 0.000 -0.000) 22.861 19.443 ( 8.037 0.000 -0.000) 8.037 19.636 ( 12.940 0.000 -0.000) 12.940 19.640 ( 7.266 0.000 -0.000) 7.266 20.403 ( -1.902 -0.000 0.000) 1.902 21.116 ( -7.356 -0.000 0.000) 7.356 21.761 ( 23.879 0.000 -0.000) 23.879 22.291 ( -7.735 -0.000 0.000) 7.735 22.546 ( 5.361 0.000 -0.000) 5.361 24.114 ( 7.624 0.000 -0.000) 7.624 25.172 ( -17.684 -0.000 0.000) 17.684 25.673 ( -0.926 -0.000 0.000) 0.926 26.269 ( -7.268 -0.000 0.000) 7.268 26.828 ( -8.793 -0.000 0.000) 8.793 30.922 ( 13.150 0.000 -0.000) 13.150 ======================= Grid point 227 (95/175) ======================= q-point: ( 0.12 0.21 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.121 ( -7.858 -0.000 78.201) 78.595 3.912 ( 40.804 -0.000 72.011) 82.768 5.449 ( 66.280 -0.000 93.567) 114.664 12.510 ( -2.750 0.000 -22.812) 22.977 12.629 ( 9.430 0.000 -22.853) 24.722 14.106 ( -25.429 0.000 -12.695) 28.421 14.509 ( -21.848 0.000 -10.526) 24.251 15.307 ( 6.837 0.000 -27.062) 27.913 15.670 ( 32.682 0.000 -20.781) 38.729 18.745 ( -17.954 0.000 -21.666) 28.138 19.335 ( 0.789 0.000 -3.661) 3.745 19.435 ( 6.194 0.000 -8.740) 10.712 20.786 ( -20.600 -0.000 11.991) 23.836 21.037 ( -15.748 -0.000 22.147) 27.175 21.722 ( 20.531 0.000 6.789) 21.624 21.825 ( -5.727 0.000 -22.750) 23.460 22.107 ( -33.946 -0.000 18.689) 38.750 22.968 ( -1.238 -0.000 10.969) 11.039 23.762 ( 16.958 0.000 -10.369) 19.877 24.358 ( 25.412 0.000 -2.258) 25.512 25.785 ( -0.370 -0.000 0.094) 0.382 25.934 ( 12.746 0.000 -5.262) 13.789 27.121 ( -3.388 -0.000 40.416) 40.558 31.631 ( -18.725 -0.000 -5.810) 19.605 ======================= Grid point 228 (96/175) ======================= q-point: ( 0.12 0.38 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.048 ( 34.764 -0.000 40.763) 53.574 7.172 ( 48.728 -0.000 51.737) 71.072 9.730 ( 54.111 -0.000 61.448) 81.877 11.765 ( -5.263 0.000 -18.146) 18.894 12.591 ( 5.479 0.000 -28.350) 28.875 12.804 ( -28.006 -0.000 -4.990) 28.447 13.946 ( 4.375 0.000 -2.597) 5.088 14.813 ( 2.610 0.000 -26.268) 26.398 16.504 ( 21.842 0.000 -22.284) 31.203 17.331 ( -16.840 0.000 -28.661) 33.242 19.277 ( -14.212 -0.000 0.333) 14.216 19.422 ( 3.412 0.000 0.186) 3.417 19.831 ( -18.776 0.000 -9.397) 20.996 20.480 ( -19.962 -0.000 9.550) 22.129 21.377 ( -4.937 -0.000 0.499) 4.962 21.554 ( -14.001 -0.000 8.138) 16.194 22.328 ( 7.352 0.000 -0.990) 7.419 22.978 ( -8.026 -0.000 6.803) 10.521 23.627 ( 0.155 0.000 -11.135) 11.136 25.652 ( 7.246 -0.000 11.961) 13.984 25.914 ( 10.853 -0.000 4.887) 11.903 26.405 ( 16.655 0.000 -3.811) 17.085 27.667 ( -2.652 -0.000 31.603) 31.714 30.550 ( -23.888 0.000 -12.940) 27.168 ======================= Grid point 229 (97/175) ======================= q-point: ( 0.12 0.54 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.226 ( 32.490 -0.000 23.801) 40.275 9.289 ( 4.329 -0.000 12.237) 12.980 10.592 ( -17.522 -0.000 -6.700) 18.759 11.126 ( -18.134 0.000 -35.338) 39.719 12.057 ( 5.449 -0.000 9.611) 11.048 13.150 ( 15.092 -0.000 30.785) 34.285 14.585 ( 3.771 -0.000 5.585) 6.739 14.948 ( 29.598 0.000 -9.452) 31.070 15.905 ( -9.621 0.000 -8.229) 12.660 16.867 ( -3.954 0.000 -8.507) 9.381 18.379 ( 1.959 0.000 -20.093) 20.188 19.583 ( 1.992 0.000 -2.226) 2.988 19.688 ( 2.379 -0.000 7.305) 7.683 19.954 ( -7.904 -0.000 2.563) 8.310 21.067 ( -13.501 -0.000 -1.643) 13.600 21.247 ( -3.272 -0.000 4.252) 5.365 22.479 ( 2.299 0.000 -1.664) 2.838 22.693 ( -5.790 -0.000 -1.946) 6.108 23.563 ( 4.913 0.000 -3.979) 6.322 25.765 ( -2.642 -0.000 4.513) 5.229 26.267 ( 0.440 -0.000 3.992) 4.016 26.770 ( -3.931 -0.000 5.171) 6.496 28.368 ( 2.178 -0.000 5.443) 5.862 29.407 ( -7.369 0.000 -5.676) 9.302 ======================= Grid point 230 (98/175) ======================= q-point: ( 0.12 -0.29 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.445 ( -49.789 -0.000 21.564) 54.258 7.873 ( -53.162 -0.000 -16.307) 55.607 9.787 ( -27.632 0.000 -37.497) 46.579 10.665 ( 31.792 0.000 -0.356) 31.794 12.068 ( -18.772 -0.000 -3.445) 19.085 13.759 ( 11.117 -0.000 20.901) 23.674 14.448 ( -0.580 -0.000 4.919) 4.953 15.845 ( 7.242 0.000 -1.751) 7.451 16.474 ( 12.362 -0.000 10.016) 15.910 17.070 ( 21.115 0.000 5.540) 21.830 18.626 ( 20.944 0.000 -9.450) 22.977 19.546 ( -0.072 0.000 -2.353) 2.354 19.879 ( -7.420 -0.000 0.969) 7.483 20.077 ( 9.526 -0.000 15.544) 18.231 20.726 ( 9.948 0.000 -7.833) 12.661 21.287 ( 1.614 0.000 0.098) 1.617 22.463 ( 1.129 0.000 -4.050) 4.205 22.533 ( -1.573 0.000 -1.985) 2.533 23.802 ( 6.707 0.000 1.266) 6.825 25.683 ( -6.703 -0.000 6.267) 9.177 26.066 ( -13.350 -0.000 -1.045) 13.391 26.581 ( -2.503 0.000 -7.019) 7.452 27.458 ( -20.761 0.000 -9.710) 22.919 30.141 ( 20.284 0.000 8.255) 21.900 ======================= Grid point 245 (99/175) ======================= q-point: ( 0.12 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.417 ( 46.428 10.201 23.473) 53.015 7.313 ( 42.531 32.292 -17.091) 56.069 10.078 ( -6.873 -11.311 6.202) 14.617 11.068 ( -20.839 -21.387 -1.960) 29.926 11.870 ( -11.975 -5.595 11.812) 17.727 12.525 ( -32.696 -16.679 4.658) 36.998 13.236 ( 0.667 -34.170 23.936) 41.725 15.119 ( 13.832 9.663 19.706) 25.943 15.692 ( -17.797 -18.501 -49.705) 55.943 18.452 ( 8.538 21.043 -14.421) 26.902 19.519 ( 2.631 8.178 -0.754) 8.624 19.849 ( -0.193 7.489 -2.549) 7.914 20.057 ( 1.314 2.597 -6.984) 7.566 20.603 ( -8.002 13.234 -8.153) 17.483 20.999 ( 2.694 -3.681 -3.142) 5.539 21.136 ( 1.030 -6.308 -0.539) 6.414 22.656 ( -0.436 7.362 2.324) 7.733 22.828 ( 6.915 2.017 0.832) 7.252 24.231 ( -17.086 10.099 7.397) 21.181 24.976 ( 9.855 -12.562 7.442) 17.616 26.079 ( 2.129 2.968 2.751) 4.573 26.581 ( -0.544 -0.639 1.571) 1.781 26.897 ( 9.553 -9.804 16.021) 21.072 29.630 ( -22.815 -21.071 -10.540) 32.796 ======================= Grid point 246 (100/175) ======================= q-point: ( 0.12 -0.62 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 444 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.091 ( 0.000 17.342 0.000) 17.342 8.400 ( 0.000 -8.718 0.000) 8.718 9.885 ( 0.000 -27.947 0.000) 27.947 10.173 ( 0.000 -13.731 -0.000) 13.731 11.199 ( 0.000 -0.325 -0.000) 0.325 12.122 ( 0.000 -35.523 0.000) 35.523 13.751 ( 0.000 -41.205 0.000) 41.205 14.213 ( 0.000 -31.209 -0.000) 31.209 16.561 ( 0.000 38.929 -0.000) 38.929 17.840 ( 0.000 30.470 0.000) 30.470 19.604 ( 0.000 8.079 0.000) 8.079 19.895 ( 0.000 6.936 0.000) 6.936 19.915 ( -0.000 7.744 -0.000) 7.744 20.369 ( 0.000 5.034 0.000) 5.034 21.105 ( -0.000 0.457 0.000) 0.457 21.157 ( 0.000 -0.909 -0.000) 0.909 22.690 ( 0.000 6.929 -0.000) 6.929 23.027 ( 0.000 12.344 0.000) 12.344 23.805 ( 0.000 5.633 -0.000) 5.633 25.246 ( 0.000 -11.659 0.000) 11.659 26.147 ( 0.000 1.429 -0.000) 1.429 26.545 ( 0.000 -2.525 0.000) 2.525 27.751 ( 0.000 -16.940 -0.000) 16.940 28.635 ( 0.000 -22.801 0.000) 22.801 ======================= Grid point 250 (101/175) ======================= q-point: ( 0.12 -0.12 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.149 ( -20.325 70.855 0.000) 73.713 6.756 ( 20.464 62.083 0.000) 65.369 8.610 ( 33.884 65.020 0.000) 73.320 11.338 ( -4.811 -37.203 -0.000) 37.513 12.036 ( -7.966 -23.124 -0.000) 24.458 13.743 ( -26.297 4.836 0.000) 26.738 14.215 ( -22.381 -2.671 0.000) 22.540 15.686 ( -32.354 -17.891 0.000) 36.971 16.742 ( 10.946 1.816 -0.000) 11.095 17.909 ( 19.568 -14.927 -0.000) 24.611 19.254 ( 15.644 -14.695 -0.000) 21.464 19.621 ( 7.031 -4.177 -0.000) 8.178 19.771 ( 12.190 0.987 -0.000) 12.230 20.339 ( -4.346 -3.832 0.000) 5.794 21.091 ( -5.788 -25.917 -0.000) 26.556 21.318 ( 6.825 2.563 -0.000) 7.291 22.401 ( -3.301 4.730 0.000) 5.768 22.505 ( 4.632 -2.436 -0.000) 5.234 23.973 ( 0.999 -7.681 -0.000) 7.745 25.399 ( -12.589 17.588 0.000) 21.630 25.832 ( 6.247 7.362 0.000) 9.655 26.415 ( 1.398 4.249 0.000) 4.473 26.981 ( -6.086 12.165 0.000) 13.602 30.515 ( -9.194 -17.511 -0.000) 19.778 ======================= Grid point 252 (102/175) ======================= q-point: ( 0.12 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.529 ( 36.512 12.830 15.105) 41.544 8.563 ( 18.408 21.394 -14.948) 31.938 9.556 ( -10.536 -16.187 0.878) 19.334 10.185 ( -21.806 -23.285 -3.530) 32.096 11.202 ( -21.450 -4.759 14.092) 26.102 11.548 ( -10.275 -31.606 3.784) 33.449 12.498 ( -0.325 -25.890 15.774) 30.318 14.746 ( -25.334 -28.430 -52.819) 65.115 16.285 ( 34.674 35.806 36.395) 61.716 18.812 ( -7.488 9.192 -4.445) 12.661 19.732 ( 0.456 6.965 0.827) 7.029 19.942 ( -1.578 5.416 -0.904) 5.713 20.111 ( 2.235 -0.937 -1.930) 3.098 20.767 ( -9.692 13.620 -11.540) 20.313 20.806 ( -5.035 -1.829 15.858) 16.738 21.276 ( 15.398 -4.247 -23.485) 28.402 22.824 ( -0.389 9.619 4.652) 10.692 23.158 ( 11.588 8.125 -3.571) 14.597 24.067 ( -13.401 7.933 5.430) 16.493 24.879 ( 6.087 -12.977 3.763) 14.819 26.230 ( 2.161 8.338 -0.441) 8.624 26.526 ( -2.460 0.049 2.355) 3.406 26.888 ( 14.393 -14.877 14.437) 25.237 28.659 ( -24.052 -25.488 -10.589) 36.610 ======================= Grid point 253 (103/175) ======================= q-point: ( 0.12 -0.62 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.880 ( -32.328 9.735 -18.590) 38.541 8.195 ( -22.847 20.293 17.033) 34.984 9.648 ( 12.202 -12.561 -5.189) 18.265 10.090 ( 22.418 -22.367 7.291) 32.496 11.368 ( 9.560 -22.699 -2.615) 24.768 11.747 ( 32.736 -7.102 -14.936) 36.677 12.926 ( -1.312 -35.952 -21.168) 41.741 13.750 ( 16.493 -27.987 37.461) 49.585 16.989 ( -29.669 36.984 -28.686) 55.416 18.502 ( 4.319 18.573 22.336) 29.368 19.684 ( -2.906 5.735 7.726) 10.052 19.964 ( -2.420 5.200 -1.796) 6.010 20.033 ( -2.639 2.930 3.482) 5.260 20.531 ( 3.767 7.068 5.318) 9.614 20.841 ( -11.362 -6.317 17.324) 21.659 21.268 ( 6.276 -1.732 -22.105) 23.044 22.841 ( -1.984 10.697 3.163) 11.330 23.051 ( -14.349 5.678 6.505) 16.747 24.207 ( 18.091 6.923 -8.002) 20.958 24.963 ( -2.049 -12.827 -4.354) 13.700 26.219 ( -1.649 5.314 0.212) 5.568 26.602 ( 6.544 4.001 -4.583) 8.935 27.181 ( -13.569 -16.781 -13.201) 25.299 28.411 ( 22.266 -25.313 12.966) 36.120 ======================= Grid point 256 (104/175) ======================= q-point: ( 0.12 -0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.185 ( -12.405 61.336 0.000) 62.578 8.244 ( 18.109 35.953 0.000) 40.256 9.768 ( 10.370 -1.718 -0.000) 10.512 10.653 ( 0.589 -18.475 -0.000) 18.484 11.736 ( -16.486 9.788 0.000) 19.173 12.785 ( -46.683 -20.329 0.000) 50.917 13.521 ( -37.208 5.633 0.000) 37.632 14.855 ( -11.884 0.273 0.000) 11.888 16.818 ( 0.956 -15.281 -0.000) 15.311 18.183 ( 22.770 -10.944 -0.000) 25.264 19.390 ( 19.514 -11.152 -0.000) 22.475 19.691 ( 6.953 -3.180 -0.000) 7.646 19.977 ( 9.714 -5.888 -0.000) 11.360 20.237 ( 6.983 0.943 -0.000) 7.046 20.572 ( -2.728 -14.288 -0.000) 14.546 21.590 ( 14.268 0.514 -0.000) 14.277 22.368 ( -5.310 1.368 0.000) 5.484 22.652 ( 9.999 2.147 -0.000) 10.227 23.843 ( 1.785 -6.195 -0.000) 6.447 25.445 ( -12.908 13.137 0.000) 18.417 26.147 ( 1.496 14.138 0.000) 14.217 26.470 ( 0.084 -0.331 -0.000) 0.341 27.084 ( -12.295 16.522 0.000) 20.595 29.832 ( -18.078 -21.054 -0.000) 27.750 ======================= Grid point 258 (105/175) ======================= q-point: ( 0.12 0.21 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.324 ( 9.546 14.895 13.970) 22.542 8.819 ( -12.111 3.070 0.466) 12.503 9.125 ( 0.915 -9.877 5.760) 11.471 9.431 ( -4.446 -16.647 -1.628) 17.307 10.828 ( -2.798 -11.739 10.251) 15.834 11.129 ( 13.869 -16.655 6.868) 22.736 12.524 ( 21.215 11.503 -15.865) 28.880 13.561 ( -26.572 -32.244 -42.899) 59.884 17.622 ( 24.691 30.875 32.058) 50.898 18.517 ( -20.110 -9.009 17.654) 28.235 19.806 ( -4.786 6.258 -3.281) 8.534 19.998 ( 1.741 -2.146 -3.283) 4.291 20.192 ( 1.719 7.043 5.878) 9.334 20.479 ( -9.382 -5.466 14.850) 18.396 20.994 ( -7.133 14.184 -22.170) 27.268 21.455 ( 11.760 -6.931 -23.834) 27.466 23.029 ( -2.356 11.673 3.194) 12.329 23.333 ( -5.223 1.866 2.064) 5.918 24.181 ( 3.956 9.449 -0.168) 10.245 24.696 ( 4.654 -14.299 1.030) 15.072 26.384 ( -7.107 7.779 5.875) 12.064 26.653 ( 7.799 5.550 -0.718) 9.599 26.946 ( 20.036 -7.453 6.005) 22.205 27.659 ( -18.022 -26.828 -7.660) 33.214 ======================= Grid point 262 (106/175) ======================= q-point: ( 0.12 -0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.042 ( -7.632 38.361 0.000) 39.112 8.707 ( -2.100 -0.763 0.000) 2.234 9.515 ( -4.478 -17.074 -0.000) 17.651 10.469 ( -17.622 -14.822 0.000) 23.027 11.138 ( -30.514 2.550 0.000) 30.621 12.008 ( -7.870 19.064 0.000) 20.624 12.869 ( -36.516 7.786 0.000) 37.336 15.470 ( 23.068 33.362 0.000) 40.561 16.094 ( -20.031 -33.297 -0.000) 38.858 18.083 ( 4.416 -23.503 -0.000) 23.914 19.531 ( 15.480 -9.018 -0.000) 17.915 19.813 ( 8.274 -0.564 -0.000) 8.293 20.122 ( 0.686 2.856 0.000) 2.938 20.291 ( -1.152 -9.902 -0.000) 9.969 20.594 ( 28.383 -2.385 -0.000) 28.483 21.836 ( 17.001 -11.655 -0.000) 20.612 22.292 ( -4.070 3.729 0.000) 5.520 22.863 ( 6.629 -4.746 -0.000) 8.153 23.968 ( 10.605 11.086 0.000) 15.341 25.402 ( -14.445 9.200 0.000) 17.126 26.432 ( -1.215 11.770 0.000) 11.832 26.441 ( -0.683 0.072 0.000) 0.687 27.181 ( -16.027 22.394 0.000) 27.538 28.946 ( -24.518 -21.012 0.000) 32.290 ======================= Grid point 268 (107/175) ======================= q-point: ( 0.12 -0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.112 ( 2.664 5.461 24.014) 24.771 8.729 ( -7.880 39.796 -7.033) 41.174 10.004 ( -1.633 -2.374 -38.186) 38.295 10.378 ( 6.213 5.046 0.236) 8.008 12.199 ( -30.733 -0.158 22.178) 37.900 13.436 ( -20.220 2.870 -6.017) 21.290 14.254 ( -14.220 5.746 -1.587) 15.419 15.246 ( -15.496 -6.422 -6.450) 17.971 16.192 ( -1.058 -16.483 18.735) 24.976 17.146 ( 28.827 -18.500 6.258) 34.820 18.502 ( 24.327 -19.009 -12.276) 33.224 19.590 ( 3.846 -0.514 -2.574) 4.656 19.833 ( -0.216 1.564 5.307) 5.537 20.111 ( 7.456 -4.775 3.749) 9.615 20.648 ( -5.243 6.051 -9.408) 12.353 21.330 ( 4.893 -0.024 3.210) 5.852 22.479 ( -0.637 -0.563 -2.042) 2.212 22.590 ( 4.879 3.994 -2.431) 6.758 23.679 ( 2.351 -5.651 0.028) 6.121 25.735 ( -4.176 4.019 2.919) 6.489 26.307 ( -0.917 7.274 7.658) 10.601 26.646 ( -2.120 7.471 -3.207) 8.402 27.837 ( -7.113 22.759 -11.594) 26.514 29.617 ( -9.843 -19.891 7.380) 23.388 ======================= Grid point 269 (108/175) ======================= q-point: ( 0.12 -0.12 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.422 ( -3.986 13.592 0.000) 14.164 8.577 ( -7.820 2.129 0.000) 8.104 9.101 ( -2.189 -7.132 -0.000) 7.460 9.462 ( -23.600 -18.055 0.000) 29.714 11.208 ( -12.097 37.704 0.000) 39.597 11.890 ( -43.663 9.440 0.000) 44.672 13.304 ( 32.624 33.769 0.000) 46.954 14.776 ( -32.038 -39.288 -0.000) 50.695 16.643 ( 24.949 26.876 0.000) 36.671 17.527 ( -10.661 -23.812 -0.000) 26.090 19.707 ( 14.763 -3.525 -0.000) 15.178 19.959 ( 4.955 -7.416 -0.000) 8.919 19.993 ( -0.192 -3.063 -0.000) 3.069 20.126 ( -0.500 -6.191 -0.000) 6.211 21.197 ( 30.346 -1.734 -0.000) 30.395 21.687 ( 6.391 -24.133 -0.000) 24.965 22.447 ( 8.471 4.252 -0.000) 9.478 22.717 ( -0.500 -11.802 -0.000) 11.812 24.617 ( 10.755 23.131 0.000) 25.510 25.172 ( -19.591 0.952 0.000) 19.614 26.477 ( 1.353 3.208 0.000) 3.482 26.551 ( -5.475 5.369 0.000) 7.668 27.428 ( -7.539 27.495 0.000) 28.510 28.046 ( -27.538 -11.713 0.000) 29.925 ======================= Grid point 274 (109/175) ======================= q-point: ( 0.12 0.71 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.962 ( 3.042 -15.387 31.663) 35.335 9.077 ( -13.314 7.217 8.435) 17.335 9.782 ( -9.910 -2.562 -37.441) 38.815 10.535 ( -19.860 -0.877 7.454) 21.231 11.785 ( -2.829 26.094 0.862) 26.261 12.786 ( -29.292 2.237 -10.843) 31.315 13.794 ( -34.522 2.176 2.507) 34.681 15.524 ( -3.394 -16.887 13.620) 21.959 15.811 ( 12.122 11.746 -4.019) 17.351 17.189 ( 24.907 -27.632 0.297) 37.202 18.731 ( 24.854 -8.761 -4.758) 26.779 19.672 ( 6.212 -1.131 -2.182) 6.681 19.972 ( 6.392 -5.960 3.474) 9.405 20.198 ( 8.503 4.386 -3.362) 10.141 20.603 ( -12.013 6.020 -6.447) 14.903 21.402 ( 4.503 -4.691 1.990) 6.800 22.424 ( -1.679 -0.421 -2.621) 3.141 22.779 ( 1.837 -0.059 -2.239) 2.896 23.887 ( 17.642 11.747 1.857) 21.277 25.685 ( -7.367 1.771 2.506) 7.981 26.315 ( -0.014 -2.189 3.976) 4.539 26.778 ( -5.380 9.370 5.032) 11.919 28.064 ( -13.385 18.008 -4.320) 22.850 29.010 ( -17.521 -7.623 0.500) 19.114 ======================= Grid point 279 (110/175) ======================= q-point: ( 0.12 0.54 -0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.635 ( 8.323 -28.101 38.204) 48.150 8.668 ( -22.425 -32.395 37.511) 54.400 10.662 ( -10.747 1.968 -16.050) 19.416 11.294 ( -16.812 13.299 -20.822) 29.884 12.268 ( 15.292 16.250 -9.409) 24.216 12.811 ( 1.254 -16.033 27.648) 31.985 14.283 ( -6.547 -17.846 -1.431) 19.062 14.522 ( 8.734 -10.763 -0.851) 13.887 16.012 ( -14.203 -1.641 -17.677) 22.735 16.850 ( 9.369 -6.436 -21.843) 24.624 18.734 ( 7.907 23.712 -9.967) 26.909 19.567 ( 3.846 -2.784 0.222) 4.754 19.658 ( 5.032 -4.520 -0.288) 6.770 20.274 ( 3.897 14.676 2.873) 15.454 21.140 ( -15.111 8.089 1.453) 17.201 21.369 ( -2.214 5.496 1.132) 6.033 22.440 ( 1.941 -2.635 -1.840) 3.754 22.839 ( -1.276 2.836 -2.089) 3.746 23.686 ( 18.718 7.132 -1.376) 20.078 25.751 ( -4.596 -0.272 3.900) 6.034 26.187 ( -0.993 -5.185 3.075) 6.110 26.750 ( -1.728 -6.803 7.828) 10.514 28.168 ( -7.189 -3.749 21.077) 22.583 29.670 ( -7.728 22.459 -15.557) 28.392 ======================= Grid point 280 (111/175) ======================= q-point: ( 0.12 0.71 -0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.880 ( 9.300 -1.994 38.138) 39.306 8.466 ( -15.610 -20.551 32.763) 41.706 9.645 ( -6.978 4.446 -30.590) 31.689 10.109 ( -20.441 7.640 -31.014) 37.922 12.237 ( -12.045 24.399 3.048) 27.381 12.908 ( -18.396 20.569 1.407) 27.631 13.408 ( 3.891 23.924 -2.742) 24.393 14.526 ( -31.537 -27.016 5.655) 41.910 16.429 ( 32.002 -15.237 10.864) 37.072 17.148 ( 15.091 -15.823 -15.403) 26.746 19.117 ( 12.495 4.549 4.983) 14.200 19.810 ( 8.133 0.668 -3.554) 8.900 19.899 ( 5.774 -9.108 -3.160) 11.238 20.141 ( -12.668 -5.590 -6.642) 15.357 20.748 ( 8.490 7.954 3.706) 12.210 21.283 ( 2.058 -11.806 -4.244) 12.713 22.441 ( 1.152 2.213 -1.021) 2.696 22.673 ( -1.979 -5.297 -4.680) 7.340 24.720 ( 19.822 23.037 4.405) 30.708 25.422 ( -15.838 -6.490 3.697) 17.511 26.342 ( 5.294 0.382 4.758) 7.128 26.705 ( -3.863 -5.982 0.652) 7.150 28.012 ( -16.360 11.194 15.900) 25.412 28.735 ( -21.201 17.884 -15.195) 31.626 ======================= Grid point 285 (112/175) ======================= q-point: ( 0.12 0.54 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.572 ( 21.074 -5.300 49.547) 54.103 7.411 ( -20.735 -34.797 49.688) 64.106 10.434 ( -11.097 2.489 -15.309) 19.071 11.320 ( -9.687 13.599 -27.133) 31.859 12.204 ( 5.704 -19.588 18.471) 27.521 13.272 ( 12.831 16.879 -1.659) 21.267 13.973 ( 1.948 -8.959 7.701) 11.974 14.626 ( 9.348 5.264 -15.148) 18.562 15.326 ( -20.917 -18.618 -18.410) 33.512 16.966 ( 14.831 -10.909 -26.188) 32.012 19.291 ( -0.695 12.776 0.193) 12.797 19.614 ( 6.626 -5.500 0.564) 8.629 19.842 ( 5.200 16.864 -0.540) 17.655 20.507 ( -11.106 6.468 -0.667) 12.870 20.932 ( -11.812 7.841 0.209) 14.180 21.308 ( -6.470 -0.055 -3.933) 7.572 22.492 ( 4.275 1.832 -3.511) 5.827 22.701 ( -4.121 -6.213 -4.624) 8.773 24.560 ( 28.711 20.866 7.394) 36.255 25.434 ( -16.054 -13.692 7.957) 22.550 26.113 ( 4.872 -4.434 2.951) 7.218 26.455 ( 1.806 -15.704 1.286) 15.860 28.049 ( -11.337 9.839 27.942) 31.718 29.909 ( -15.785 22.551 -16.907) 32.304 ======================= Grid point 290 (113/175) ======================= q-point: ( 0.12 0.38 -0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.850 ( 22.533 -4.482 62.143) 66.254 5.883 ( -21.339 -43.472 62.448) 79.025 9.034 ( 39.788 -53.793 70.579) 97.253 11.777 ( -7.220 3.370 -25.136) 26.369 12.285 ( -5.632 -2.496 -28.896) 29.545 13.457 ( 6.310 14.339 -8.511) 17.828 13.854 ( -9.635 5.651 -4.182) 11.927 15.036 ( 18.553 5.785 -26.610) 32.951 15.790 ( -9.416 -30.043 -26.261) 40.999 17.625 ( -7.321 15.317 -36.559) 40.308 19.356 ( 1.110 -1.673 -0.587) 2.092 19.434 ( 3.754 -2.303 -2.047) 4.857 20.345 ( -7.419 27.724 7.214) 29.592 20.898 ( -2.505 20.721 3.542) 21.170 21.369 ( -11.513 7.636 0.209) 13.817 21.579 ( -14.119 3.265 2.562) 14.716 22.371 ( 12.873 -0.831 1.047) 12.942 22.862 ( -14.078 -1.638 -0.143) 14.174 24.113 ( 32.538 10.630 3.315) 34.391 25.066 ( -12.220 -31.268 13.135) 36.049 25.872 ( 5.300 -2.723 0.799) 6.012 26.120 ( 3.791 -12.795 -5.179) 14.315 27.744 ( -5.070 8.017 36.083) 37.309 30.923 ( -10.078 20.592 -11.930) 25.844 ======================= Grid point 299 (114/175) ======================= q-point: ( 0.17 -0.17 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.426 ( -65.216 -0.000 0.000) 65.216 6.542 ( -66.509 -0.000 0.000) 66.509 8.189 ( -77.460 -0.000 0.000) 77.460 11.389 ( 38.994 0.000 -0.000) 38.994 12.118 ( 25.176 0.000 -0.000) 25.176 14.065 ( -6.975 -0.000 0.000) 6.975 14.418 ( -6.913 -0.000 0.000) 6.913 16.136 ( 14.163 0.000 -0.000) 14.163 16.581 ( 1.296 0.000 -0.000) 1.296 17.654 ( 24.022 0.000 -0.000) 24.022 19.030 ( 24.658 0.000 -0.000) 24.658 19.540 ( 2.552 0.000 -0.000) 2.552 19.678 ( -9.211 -0.000 0.000) 9.211 20.387 ( 3.333 0.000 -0.000) 3.333 21.168 ( 30.688 0.000 -0.000) 30.688 21.232 ( -3.820 -0.000 0.000) 3.820 22.443 ( -5.609 -0.000 0.000) 5.609 22.450 ( 3.520 0.000 -0.000) 3.520 23.963 ( 7.140 0.000 -0.000) 7.140 25.587 ( -22.359 -0.000 0.000) 22.359 25.710 ( -2.447 -0.000 0.000) 2.447 26.400 ( -5.122 -0.000 0.000) 5.122 27.046 ( -12.750 -0.000 0.000) 12.750 30.611 ( 17.005 0.000 -0.000) 17.005 ======================= Grid point 301 (115/175) ======================= q-point: ( 0.17 0.17 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.449 ( -0.000 -0.000 81.369) 81.369 3.449 ( -0.000 -0.000 81.369) 81.369 4.535 ( -0.000 -0.000 109.114) 109.114 12.529 ( 0.000 0.000 -22.651) 22.651 12.529 ( 0.000 0.000 -22.651) 22.651 14.469 ( 0.000 0.000 -14.655) 14.655 14.858 ( 0.000 0.000 -13.356) 13.356 15.175 ( 0.000 0.000 -24.119) 24.119 15.175 ( 0.000 0.000 -24.119) 24.119 18.972 ( 0.000 0.000 -26.506) 26.506 19.326 ( 0.000 0.000 -4.422) 4.422 19.326 ( 0.000 0.000 -4.422) 4.422 21.200 ( -0.000 -0.000 22.491) 22.491 21.200 ( -0.000 -0.000 22.491) 22.491 21.299 ( -0.000 -0.000 3.080) 3.080 21.890 ( 0.000 0.000 -25.949) 25.949 22.980 ( -0.000 -0.000 12.044) 12.044 22.980 ( -0.000 -0.000 12.044) 12.044 23.018 ( -0.000 -0.000 1.934) 1.934 24.142 ( 0.000 0.000 -10.986) 10.986 25.789 ( 0.000 0.000 -0.468) 0.468 25.789 ( 0.000 0.000 -0.468) 0.468 27.159 ( -0.000 -0.000 41.916) 41.916 31.854 ( 0.000 0.000 -10.666) 10.666 ======================= Grid point 302 (116/175) ======================= q-point: ( 0.17 0.33 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.607 ( 6.660 -0.000 66.650) 66.982 6.189 ( 45.274 -0.000 61.663) 76.499 8.541 ( 59.429 -0.000 78.552) 98.500 11.880 ( -5.053 0.000 -27.747) 28.203 12.323 ( 14.576 0.000 -31.474) 34.686 13.397 ( -24.488 -0.000 -7.843) 25.713 13.977 ( -8.451 0.000 -6.928) 10.928 14.801 ( 0.189 0.000 -26.686) 26.686 15.892 ( 34.191 0.000 -26.178) 43.062 17.710 ( -18.190 0.000 -39.305) 43.310 19.340 ( 2.429 0.000 0.063) 2.430 19.395 ( 1.587 0.000 -2.214) 2.724 20.421 ( -32.256 -0.000 3.573) 32.453 20.921 ( -22.900 -0.000 8.179) 24.316 21.463 ( -3.513 -0.000 -0.495) 3.547 21.865 ( -16.435 -0.000 6.207) 17.568 22.144 ( 10.070 0.000 2.119) 10.290 23.136 ( -7.012 -0.000 11.702) 13.642 23.632 ( -0.436 0.000 -10.643) 10.652 25.209 ( 33.740 0.000 14.590) 36.759 25.799 ( 1.629 0.000 0.335) 1.664 26.084 ( 13.340 0.000 -5.542) 14.446 27.798 ( -8.188 -0.000 36.964) 37.860 31.029 ( -22.098 0.000 -12.050) 25.170 ======================= Grid point 303 (117/175) ======================= q-point: ( 0.17 0.50 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 482 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.548 ( 29.699 -0.000 40.469) 50.197 8.925 ( 28.716 -0.000 34.541) 44.919 10.780 ( -2.518 0.000 -19.302) 19.465 11.556 ( -11.578 0.000 -13.020) 17.423 12.020 ( -3.407 0.000 -9.692) 10.274 12.753 ( 17.743 -0.000 30.150) 34.983 14.323 ( 19.023 -0.000 16.720) 25.327 14.486 ( 12.762 0.000 -20.809) 24.411 16.140 ( -6.358 0.000 -23.683) 24.522 16.773 ( 11.812 0.000 -23.626) 26.414 18.649 ( -28.985 -0.000 -10.048) 30.677 19.527 ( 3.536 0.000 0.131) 3.539 19.603 ( 3.668 0.000 0.054) 3.669 20.232 ( -17.095 -0.000 4.302) 17.628 21.332 ( -4.647 -0.000 3.160) 5.619 21.383 ( -16.020 -0.000 4.687) 16.691 22.413 ( 4.098 0.000 -1.360) 4.318 22.851 ( -9.561 -0.000 -0.755) 9.591 23.475 ( 3.280 0.000 -6.109) 6.933 25.795 ( -0.431 -0.000 2.497) 2.534 26.203 ( 5.561 -0.000 3.391) 6.513 26.768 ( 7.438 -0.000 8.716) 11.459 28.243 ( 4.157 -0.000 21.416) 21.816 29.750 ( -22.417 0.000 -15.453) 27.227 ======================= Grid point 304 (118/175) ======================= q-point: ( 0.17 -0.33 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.076 ( -7.658 -0.000 26.342) 27.433 8.829 ( -38.493 -0.000 -9.093) 39.552 10.004 ( -2.294 0.000 -43.468) 43.528 10.316 ( -1.757 -0.000 1.831) 2.537 12.557 ( -10.224 -0.000 15.228) 18.342 13.626 ( -7.274 -0.000 12.425) 14.397 14.376 ( 6.254 0.000 -4.932) 7.965 15.527 ( 20.602 0.000 -3.882) 20.965 16.202 ( 17.603 -0.000 19.603) 26.346 16.766 ( 7.995 0.000 -3.409) 8.692 18.215 ( 17.562 0.000 -14.856) 23.003 19.549 ( 0.053 0.000 -2.334) 2.335 19.882 ( 2.187 -0.000 5.692) 6.098 19.990 ( 3.644 -0.000 6.094) 7.100 20.708 ( -9.563 0.000 -7.606) 12.218 21.280 ( -0.789 -0.000 2.351) 2.479 22.468 ( -0.997 0.000 -1.659) 1.936 22.553 ( -1.078 0.000 -2.959) 3.150 23.656 ( 7.323 0.000 -0.226) 7.327 25.777 ( -2.770 -0.000 2.535) 3.755 26.317 ( -8.091 -0.000 7.875) 11.291 26.668 ( -8.018 -0.000 -3.523) 8.758 27.911 ( -22.766 0.000 -11.441) 25.479 29.720 ( 19.910 0.000 7.728) 21.357 ======================= Grid point 325 (119/175) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.825 ( 28.884 28.884 19.286) 45.172 8.004 ( 32.818 32.818 -21.040) 50.958 9.811 ( -13.527 -13.527 2.878) 19.346 10.619 ( -21.407 -21.407 -2.324) 30.363 11.651 ( -14.818 -14.818 2.075) 21.059 12.037 ( -33.854 -33.854 22.132) 52.745 12.637 ( -15.956 -15.956 16.232) 27.797 15.255 ( -23.499 -23.499 -54.730) 64.030 15.584 ( 31.377 31.377 32.823) 55.194 18.783 ( 9.863 9.863 -9.166) 16.690 19.663 ( 5.513 5.513 1.241) 7.895 19.964 ( 2.404 2.404 -1.400) 3.677 20.071 ( 0.173 0.173 -4.357) 4.363 20.853 ( 2.238 2.238 -4.222) 5.276 20.958 ( 6.405 6.405 -24.451) 26.075 20.993 ( -5.468 -5.468 10.150) 12.760 22.800 ( 3.841 3.841 6.025) 8.112 22.913 ( 9.007 9.007 -6.600) 14.345 24.314 ( -5.478 -5.478 8.647) 11.610 24.801 ( -1.398 -1.398 6.749) 7.032 26.158 ( 4.321 4.321 1.199) 6.228 26.583 ( -0.431 -0.431 4.258) 4.302 26.743 ( -2.409 -2.409 13.115) 13.551 29.160 ( -24.107 -24.107 -10.617) 35.707 ======================= Grid point 326 (120/175) ======================= q-point: ( 0.17 -0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 444 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.351 ( 0.000 4.184 0.000) 4.184 8.441 ( -0.000 15.634 -0.000) 15.634 9.459 ( 0.000 -13.400 0.000) 13.400 9.803 ( 0.000 -20.792 -0.000) 20.792 11.243 ( -0.000 3.152 0.000) 3.152 11.406 ( 0.000 -31.816 0.000) 31.816 12.960 ( 0.000 -34.040 0.000) 34.040 13.560 ( 0.000 -31.234 -0.000) 31.234 17.347 ( 0.000 36.388 -0.000) 36.388 18.399 ( 0.000 21.775 0.000) 21.775 19.716 ( 0.000 3.470 0.000) 3.470 19.999 ( 0.000 0.357 0.000) 0.357 20.059 ( 0.000 9.595 -0.000) 9.595 20.490 ( 0.000 6.995 -0.000) 6.995 21.058 ( -0.000 -5.048 0.000) 5.048 21.103 ( 0.000 -4.389 -0.000) 4.389 22.861 ( 0.000 9.350 0.000) 9.350 23.260 ( 0.000 8.948 0.000) 8.948 23.960 ( 0.000 9.423 -0.000) 9.423 24.983 ( 0.000 -13.537 0.000) 13.537 26.242 ( 0.000 8.404 -0.000) 8.404 26.520 ( 0.000 0.439 0.000) 0.439 27.390 ( 0.000 -17.591 -0.000) 17.591 28.120 ( 0.000 -26.883 0.000) 26.883 ======================= Grid point 330 (121/175) ======================= q-point: ( 0.17 -0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.489 ( -14.557 58.340 0.000) 60.128 7.908 ( 12.438 48.539 0.000) 50.107 9.497 ( 13.947 16.502 0.000) 21.606 10.658 ( -0.688 -26.432 -0.000) 26.441 11.963 ( -6.177 19.498 0.000) 20.453 13.644 ( -33.487 -15.654 0.000) 36.965 14.193 ( -25.648 1.950 0.000) 25.722 15.339 ( -31.333 -13.922 0.000) 34.287 16.705 ( 7.987 -7.025 -0.000) 10.637 17.589 ( 32.009 -16.371 -0.000) 35.953 18.837 ( 27.388 -23.385 -0.000) 36.014 19.567 ( 4.555 -0.888 -0.000) 4.641 19.882 ( 0.021 4.288 0.000) 4.288 20.241 ( -2.487 -3.103 -0.000) 3.976 20.611 ( -1.057 -17.329 -0.000) 17.361 21.361 ( 7.705 0.818 -0.000) 7.749 22.439 ( -0.023 0.530 0.000) 0.531 22.511 ( 2.220 1.911 -0.000) 2.929 23.820 ( 0.607 -7.228 -0.000) 7.254 25.667 ( -8.361 7.633 0.000) 11.321 26.108 ( 2.262 19.525 0.000) 19.655 26.470 ( -0.018 1.023 0.000) 1.023 27.288 ( -7.067 17.747 0.000) 19.102 30.124 ( -9.954 -20.255 -0.000) 22.569 ======================= Grid point 332 (122/175) ======================= q-point: ( 0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.917 ( 23.142 23.142 13.690) 35.476 8.875 ( 6.667 6.667 -2.140) 9.668 9.277 ( -10.578 -10.578 0.012) 14.959 9.728 ( -21.009 -21.009 -3.689) 29.939 10.994 ( -14.048 -14.048 26.262) 32.930 11.089 ( -9.163 -9.163 -6.179) 14.356 12.261 ( 2.521 2.521 -0.683) 3.631 14.144 ( -29.474 -29.474 -50.705) 65.638 17.010 ( 33.547 33.547 37.173) 60.272 18.819 ( -8.044 -8.044 8.861) 14.419 19.834 ( 2.524 2.524 -1.411) 3.838 19.992 ( -0.899 -0.899 -3.592) 3.810 20.127 ( 3.484 3.484 3.263) 5.910 20.665 ( -7.990 -7.990 19.765) 22.767 21.085 ( 5.859 5.859 -19.367) 21.065 21.208 ( 4.452 4.452 -29.079) 29.753 23.002 ( 5.892 5.892 2.725) 8.766 23.294 ( 5.575 5.575 -2.989) 8.432 24.178 ( 1.147 1.147 3.523) 3.878 24.674 ( -4.759 -4.759 4.684) 8.199 26.459 ( 10.898 10.898 -4.472) 16.048 26.554 ( -0.562 -0.562 8.174) 8.212 26.647 ( -1.705 -1.705 11.674) 11.921 28.129 ( -25.370 -25.370 -10.249) 37.314 ======================= Grid point 333 (123/175) ======================= q-point: ( 0.17 -0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.208 ( -20.956 20.956 -14.170) 32.850 8.580 ( -14.987 14.987 19.662) 28.911 9.424 ( 9.761 -9.761 -7.686) 15.800 9.637 ( 21.175 -21.175 6.130) 30.566 10.975 ( 10.732 -10.732 4.229) 15.755 11.523 ( 17.888 -17.888 -20.371) 32.480 12.461 ( 6.904 -6.904 -20.043) 22.295 13.229 ( 21.605 -21.605 32.374) 44.516 17.677 ( -28.427 28.427 -24.241) 46.945 18.706 ( -1.142 1.142 18.758) 18.827 19.756 ( -1.952 1.952 6.121) 6.714 19.975 ( 1.547 -1.547 -1.707) 2.775 20.188 ( -9.192 9.192 -0.521) 13.011 20.678 ( -1.525 1.525 17.503) 17.635 20.746 ( -2.938 2.938 10.726) 11.503 21.162 ( 8.186 -8.186 -24.999) 27.550 23.014 ( -5.057 5.057 1.451) 7.297 23.220 ( -10.085 10.085 4.847) 15.063 24.247 ( 2.954 -2.954 -3.802) 5.649 24.758 ( 6.014 -6.014 -3.473) 9.187 26.353 ( -7.395 7.395 5.012) 11.597 26.717 ( -0.494 0.494 -6.746) 6.782 26.916 ( 2.087 -2.087 -13.483) 13.802 27.889 ( 24.237 -24.237 12.452) 36.468 ======================= Grid point 336 (124/175) ======================= q-point: ( 0.17 -0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.249 ( -11.532 38.432 0.000) 40.125 8.707 ( 1.607 9.899 0.000) 10.029 9.544 ( 1.589 -13.290 -0.000) 13.384 10.532 ( 6.462 5.839 -0.000) 8.709 11.858 ( -36.146 -4.143 0.000) 36.383 12.485 ( -36.184 -3.403 0.000) 36.344 13.698 ( -38.979 9.754 0.000) 40.181 15.109 ( 10.160 23.649 0.000) 25.739 16.375 ( -7.181 -26.846 -0.000) 27.790 17.795 ( 23.154 -25.985 -0.000) 34.804 19.042 ( 31.990 -19.579 -0.000) 37.506 19.659 ( 6.253 -0.864 -0.000) 6.313 19.968 ( 9.693 4.585 -0.000) 10.722 20.265 ( 4.211 -7.090 -0.000) 8.247 20.383 ( -5.504 2.770 0.000) 6.161 21.539 ( 11.428 -4.774 -0.000) 12.385 22.387 ( -4.415 0.680 0.000) 4.467 22.716 ( 7.807 3.422 -0.000) 8.524 23.778 ( 7.191 0.714 -0.000) 7.226 25.638 ( -8.520 5.908 0.000) 10.367 26.424 ( -0.485 -0.402 0.000) 0.630 26.513 ( -3.362 16.386 0.000) 16.728 27.491 ( -13.350 22.746 0.000) 26.374 29.395 ( -18.702 -20.736 -0.000) 27.924 ======================= Grid point 338 (125/175) ======================= q-point: ( 0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.667 ( -12.604 -12.604 15.258) 23.463 8.667 ( 12.604 12.604 15.258) 23.463 9.136 ( -4.756 -4.756 -2.991) 7.362 9.136 ( 4.756 4.756 -2.991) 7.362 10.824 ( -2.495 -2.495 10.630) 11.200 10.824 ( 2.495 2.495 10.630) 11.200 12.944 ( -26.689 -26.689 -34.378) 51.053 12.944 ( 26.689 26.689 -34.378) 51.053 18.180 ( -22.471 -22.471 28.102) 42.422 18.180 ( 22.471 22.471 28.102) 42.422 19.920 ( -1.740 -1.740 -4.430) 5.068 19.920 ( 1.740 1.740 -4.430) 5.068 20.347 ( -6.814 -6.814 11.414) 14.937 20.347 ( 6.814 6.814 11.414) 14.937 21.265 ( -0.830 -0.830 -25.656) 25.683 21.265 ( 0.830 0.830 -25.656) 25.683 23.251 ( -4.910 -4.910 0.378) 6.954 23.251 ( 4.910 4.910 0.378) 6.954 24.414 ( -6.857 -6.857 2.391) 9.988 24.414 ( 6.857 6.857 2.391) 9.988 26.561 ( -0.297 -0.297 9.774) 9.783 26.561 ( 0.297 0.297 9.774) 9.783 27.150 ( -21.007 -21.007 -7.764) 30.706 27.150 ( 21.007 21.007 -7.764) 30.706 ======================= Grid point 344 (126/175) ======================= q-point: ( 0.17 -0.17 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.507 ( -3.776 5.746 0.000) 6.876 8.731 ( -7.615 8.378 0.000) 11.321 9.220 ( -8.175 -12.072 -0.000) 14.580 10.059 ( -32.217 -21.565 0.000) 38.768 11.515 ( -16.260 30.973 0.000) 34.982 12.504 ( 0.383 26.139 0.000) 26.141 13.068 ( -28.180 11.599 0.000) 30.474 15.357 ( -23.848 -37.571 -0.000) 44.500 16.148 ( 22.928 29.536 0.000) 37.390 17.551 ( 9.005 -27.384 -0.000) 28.827 19.307 ( 24.934 -10.312 -0.000) 26.982 19.790 ( 8.483 -2.210 -0.000) 8.767 20.063 ( -1.052 -11.431 -0.000) 11.479 20.147 ( -4.221 -1.139 0.000) 4.372 20.635 ( 20.926 5.713 -0.000) 21.692 21.535 ( 7.102 -15.918 -0.000) 17.430 22.372 ( 0.208 3.622 0.000) 3.628 22.744 ( -1.499 -6.249 -0.000) 6.427 24.306 ( 18.446 20.511 0.000) 27.586 25.510 ( -13.075 1.350 0.000) 13.144 26.405 ( 3.841 -1.280 -0.000) 4.049 26.690 ( -7.597 8.933 0.000) 11.727 27.693 ( -15.619 26.608 0.000) 30.854 28.584 ( -24.270 -12.353 0.000) 27.233 ======================= Grid point 349 (127/175) ======================= q-point: ( 0.17 0.67 -0.58) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.908 ( 2.023 -17.919 37.292) 41.423 9.311 ( -8.717 15.104 2.560) 17.626 9.936 ( -4.925 -2.639 -43.663) 44.019 10.750 ( -1.648 23.157 -0.329) 23.218 12.040 ( -20.391 -8.383 13.319) 25.758 13.422 ( -28.445 -5.532 -3.001) 29.133 14.334 ( -13.190 -2.677 2.807) 13.748 15.200 ( 14.818 -2.836 9.443) 17.799 15.867 ( -1.270 -12.705 2.581) 13.027 16.741 ( 15.661 -19.928 -8.910) 26.866 18.244 ( 19.696 -1.677 -11.441) 22.839 19.572 ( 3.429 -1.215 -2.043) 4.173 19.857 ( 3.974 -5.646 4.393) 8.183 20.052 ( 5.190 6.854 -0.132) 8.598 20.886 ( -13.091 14.565 -2.904) 19.798 21.341 ( 2.035 0.978 2.064) 3.059 22.454 ( -0.980 -1.862 -1.329) 2.489 22.698 ( 5.536 5.757 -2.284) 8.308 23.600 ( 9.270 -1.045 -0.549) 9.345 25.784 ( -2.627 1.072 0.967) 2.997 26.335 ( -1.517 -2.915 3.682) 4.935 26.868 ( -3.047 10.481 6.254) 12.579 28.279 ( -7.216 18.435 -4.550) 20.313 29.289 ( -9.351 -9.064 1.592) 13.120 ======================= Grid point 350 (128/175) ======================= q-point: ( 0.17 0.83 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.625 ( -6.657 3.066 0.000) 7.329 8.625 ( -3.066 6.657 0.000) 7.329 9.175 ( -14.800 -9.540 0.000) 17.608 9.175 ( 9.540 14.800 0.000) 17.608 12.090 ( -43.175 11.901 0.000) 44.785 12.090 ( -11.901 43.175 0.000) 44.785 13.987 ( -31.727 -36.296 -0.000) 48.208 13.987 ( 36.296 31.727 -0.000) 48.208 17.037 ( -8.284 -22.666 0.000) 24.133 17.037 ( 22.666 8.284 0.000) 24.133 19.663 ( 4.856 -13.340 0.000) 14.196 19.663 ( 13.340 -4.856 0.000) 14.196 19.992 ( -0.618 -6.441 -0.000) 6.470 19.992 ( 6.441 0.618 -0.000) 6.470 21.185 ( 3.736 -18.414 0.000) 18.789 21.185 ( 18.414 -3.736 0.000) 18.789 22.534 ( -2.379 -4.668 0.000) 5.240 22.534 ( 4.668 2.379 0.000) 5.240 25.079 ( -20.840 -9.638 0.000) 22.961 25.079 ( 9.638 20.840 0.000) 22.961 26.563 ( -3.153 -2.716 0.000) 4.161 26.563 ( 2.716 3.153 0.000) 4.161 27.994 ( -22.758 10.823 0.000) 25.200 27.994 ( -10.823 22.758 0.000) 25.200 ======================= Grid point 356 (129/175) ======================= q-point: ( 0.17 0.67 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.698 ( 7.665 -7.866 46.048) 47.340 8.895 ( -23.317 -20.070 32.073) 44.443 9.800 ( -7.401 2.958 -41.879) 42.631 10.560 ( -23.513 2.384 -15.962) 28.519 12.303 ( 7.872 20.299 -7.319) 22.969 13.010 ( -8.477 18.913 2.715) 20.903 13.775 ( -23.836 -3.063 2.272) 24.139 15.050 ( -15.301 -24.787 0.771) 29.140 15.781 ( 26.744 -20.091 13.069) 35.912 16.753 ( 21.429 -15.583 -18.372) 32.242 18.827 ( 14.280 19.753 -2.512) 24.503 19.657 ( 6.651 0.109 -2.405) 7.074 19.783 ( 5.387 -9.509 0.192) 10.931 20.360 ( -1.898 8.867 -0.112) 9.069 20.748 ( -14.744 8.101 -2.035) 16.946 21.306 ( -2.788 -4.511 -0.879) 5.375 22.419 ( 0.868 -0.061 -2.157) 2.326 22.727 ( -2.863 -4.600 -3.130) 6.258 24.230 ( 26.800 20.508 3.076) 33.887 25.678 ( -8.826 -2.648 2.332) 9.505 26.245 ( 2.878 -4.020 1.935) 5.309 26.820 ( -6.014 -7.637 5.179) 11.014 28.330 ( -13.686 10.571 15.970) 23.539 29.117 ( -15.548 16.414 -14.516) 26.867 ======================= Grid point 361 (130/175) ======================= q-point: ( 0.17 0.50 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.225 ( 11.920 -10.373 56.747) 58.906 7.917 ( -24.370 -38.513 50.789) 68.240 10.629 ( -6.485 -6.176 -4.961) 10.238 11.445 ( -0.962 -0.027 -14.600) 14.632 12.014 ( 8.132 -27.048 1.000) 28.262 12.967 ( 14.056 19.496 1.942) 24.113 13.962 ( -1.251 -11.738 6.769) 13.607 14.429 ( 7.445 0.836 -18.679) 20.125 15.762 ( -16.513 -22.170 -29.402) 40.357 16.725 ( 8.139 -2.877 -33.454) 34.550 19.305 ( -0.896 16.380 1.997) 16.526 19.498 ( 4.449 -3.915 1.910) 6.227 19.737 ( 4.220 23.741 -3.436) 24.357 20.604 ( -0.731 16.807 3.535) 17.191 21.289 ( -15.730 6.442 4.334) 17.542 21.488 ( -11.948 5.804 -0.890) 13.312 22.386 ( 5.473 -2.395 -1.731) 6.220 22.848 ( -10.689 -1.477 -4.155) 11.563 23.917 ( 31.821 14.440 2.969) 35.070 25.698 ( -8.986 -6.375 5.302) 12.227 26.044 ( 1.505 -8.545 2.950) 9.164 26.427 ( 1.287 -21.824 3.790) 22.188 28.236 ( -6.461 9.242 29.567) 31.644 30.158 ( -8.239 23.884 -16.896) 30.394 ======================= Grid point 362 (131/175) ======================= q-point: ( 0.17 0.67 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.940 ( 0.791 -0.791 51.316) 51.328 8.105 ( 4.940 -4.940 40.838) 41.431 9.747 ( -5.867 5.867 -28.279) 29.471 10.314 ( -11.897 11.897 -47.013) 49.933 12.596 ( -8.629 8.629 21.675) 24.874 13.222 ( -12.453 12.453 -4.381) 18.148 13.996 ( -6.384 6.384 -14.928) 17.446 14.044 ( -3.957 3.957 -6.265) 8.400 15.852 ( 34.212 -34.212 24.671) 54.311 16.833 ( 18.277 -18.277 -22.291) 34.132 19.284 ( -6.412 6.412 6.411) 11.106 19.702 ( 6.926 -6.926 -7.301) 12.216 19.946 ( -3.820 3.820 2.494) 5.950 20.066 ( -8.041 8.041 -7.217) 13.468 20.884 ( -3.084 3.084 4.793) 6.480 21.125 ( 1.323 -1.323 -6.449) 6.715 22.476 ( -0.236 0.236 -0.873) 0.935 22.584 ( 2.403 -2.403 -5.148) 6.169 25.155 ( -2.198 2.198 5.682) 6.476 25.203 ( -0.960 0.960 2.860) 3.166 26.327 ( 4.400 -4.400 6.053) 8.681 26.515 ( 7.077 -7.077 -2.268) 10.263 28.294 ( -15.425 15.425 23.077) 31.755 29.154 ( -20.554 20.554 -18.995) 34.724 ======================= Grid point 367 (132/175) ======================= q-point: ( 0.17 0.50 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.587 ( 6.324 -6.324 63.924) 64.547 6.844 ( 7.160 -7.160 56.827) 57.722 10.470 ( 0.459 -0.459 -3.560) 3.618 11.522 ( -5.468 5.468 -34.656) 35.509 11.709 ( 25.299 -25.299 25.273) 43.804 13.416 ( 1.994 -1.994 -6.965) 7.514 13.800 ( 3.004 -3.004 12.473) 13.176 14.901 ( 5.050 -5.050 -20.192) 21.418 14.922 ( -0.713 0.713 -35.662) 35.676 16.791 ( 5.286 -5.286 -36.229) 36.993 19.381 ( 0.226 -0.226 1.231) 1.272 19.503 ( 4.983 -4.983 -0.759) 7.088 20.327 ( -19.164 19.164 11.580) 29.472 20.700 ( -15.112 15.112 -0.610) 21.381 21.129 ( -11.901 11.901 1.720) 16.918 21.347 ( -5.158 5.158 -5.077) 8.887 22.537 ( 4.574 -4.574 -3.865) 7.536 22.581 ( -2.339 2.339 -5.196) 6.159 24.967 ( 4.658 -4.658 10.092) 12.052 24.989 ( 6.698 -6.698 9.328) 13.294 26.008 ( 5.695 -5.695 2.197) 8.348 26.183 ( 9.489 -9.489 -2.155) 13.591 28.279 ( -11.080 11.080 31.970) 35.603 30.330 ( -17.767 17.767 -17.189) 30.444 ======================= Grid point 372 (133/175) ======================= q-point: ( 0.17 0.33 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.936 ( 1.647 -1.647 76.374) 76.409 5.222 ( 7.380 -7.380 70.924) 71.688 7.958 ( 47.105 -47.105 84.648) 107.717 11.860 ( -4.895 4.895 -29.732) 30.527 12.185 ( 6.851 -6.851 -32.227) 33.651 13.690 ( -10.467 10.467 -11.372) 18.666 14.071 ( -12.508 12.508 -9.484) 20.070 15.113 ( 9.904 -9.904 -24.930) 28.595 15.184 ( 15.553 -15.553 -27.724) 35.390 17.911 ( -11.150 11.150 -44.067) 46.803 19.317 ( 1.692 -1.692 -0.905) 2.558 19.366 ( 3.480 -3.480 -2.711) 5.619 20.817 ( -16.773 16.773 12.697) 26.906 21.250 ( -10.181 10.181 -2.101) 14.550 21.556 ( -1.841 1.841 1.245) 2.886 21.657 ( -12.654 12.654 7.662) 19.467 22.383 ( -0.977 0.977 5.138) 5.321 22.904 ( -9.812 9.812 1.515) 13.959 24.232 ( 19.816 -19.816 9.280) 29.521 24.386 ( 12.648 -12.648 5.583) 18.738 25.828 ( 2.420 -2.420 -0.302) 3.435 25.914 ( 6.424 -6.424 -3.251) 9.649 27.891 ( -5.459 5.459 38.909) 39.668 31.280 ( -13.102 13.102 -12.836) 22.540 ======================= Grid point 375 (134/175) ======================= q-point: ( 0.21 -0.21 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.646 ( -52.151 -0.000 0.000) 52.151 7.797 ( -54.964 -0.000 0.000) 54.964 9.322 ( -26.392 -0.000 0.000) 26.392 10.667 ( 28.957 0.000 -0.000) 28.957 12.021 ( -21.353 -0.000 0.000) 21.353 14.017 ( 11.263 0.000 -0.000) 11.263 14.477 ( 2.507 0.000 -0.000) 2.507 15.802 ( 16.672 0.000 -0.000) 16.672 16.592 ( -1.775 -0.000 0.000) 1.775 17.141 ( 25.869 0.000 -0.000) 25.869 18.513 ( 24.970 0.000 -0.000) 24.970 19.519 ( -0.067 -0.000 0.000) 0.067 19.891 ( -8.758 -0.000 0.000) 8.758 20.272 ( 7.683 0.000 -0.000) 7.683 20.621 ( 18.031 0.000 -0.000) 18.031 21.281 ( -1.370 -0.000 0.000) 1.370 22.413 ( -0.007 -0.000 0.000) 0.007 22.515 ( -1.583 -0.000 0.000) 1.583 23.814 ( 7.463 0.000 -0.000) 7.463 25.762 ( -2.290 -0.000 0.000) 2.290 26.076 ( -24.698 -0.000 0.000) 24.698 26.470 ( -1.630 -0.000 0.000) 1.630 27.362 ( -18.014 -0.000 0.000) 18.014 30.228 ( 20.009 0.000 -0.000) 20.009 ======================= Grid point 378 (135/175) ======================= q-point: ( 0.21 0.29 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.759 ( -18.525 -0.000 79.641) 81.767 5.393 ( 29.704 -0.000 71.389) 77.322 7.377 ( 50.546 -0.000 93.908) 106.647 11.952 ( -1.889 0.000 -31.367) 31.424 12.067 ( 9.272 0.000 -31.690) 33.019 13.832 ( -19.742 0.000 -13.564) 23.953 14.262 ( -16.588 0.000 -12.737) 20.914 14.759 ( 4.436 0.000 -25.512) 25.895 15.184 ( 33.005 0.000 -25.654) 41.803 18.034 ( -12.326 0.000 -47.438) 49.013 19.295 ( 1.662 0.000 -0.528) 1.744 19.327 ( 3.964 0.000 -2.356) 4.611 21.001 ( -23.685 -0.000 9.094) 25.371 21.349 ( -14.893 -0.000 0.269) 14.896 21.526 ( -2.837 -0.000 3.522) 4.522 21.849 ( 14.890 0.000 3.655) 15.333 22.382 ( -32.327 -0.000 9.085) 33.579 23.254 ( -4.186 -0.000 16.433) 16.958 23.617 ( 3.868 0.000 -5.317) 6.575 24.415 ( 39.544 0.000 7.458) 40.241 25.782 ( 0.384 0.000 -0.282) 0.476 25.863 ( 7.855 0.000 -2.272) 8.177 27.949 ( -5.664 -0.000 39.780) 40.181 31.421 ( -14.774 0.000 -13.890) 20.278 ======================= Grid point 379 (136/175) ======================= q-point: ( 0.21 0.46 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.100 ( 12.430 -0.000 59.470) 60.755 8.212 ( 38.321 -0.000 48.539) 61.843 10.683 ( 15.599 -0.000 11.047) 19.114 11.413 ( 14.983 0.000 -0.074) 14.984 11.960 ( 14.033 0.000 -29.613) 32.770 12.798 ( -20.427 -0.000 5.552) 21.168 13.992 ( 11.347 0.000 4.910) 12.363 14.341 ( 2.803 0.000 -16.577) 16.812 15.939 ( 25.497 0.000 -32.020) 40.931 16.640 ( -1.809 0.000 -37.707) 37.751 19.319 ( -17.439 -0.000 3.562) 17.799 19.447 ( 3.739 -0.000 2.042) 4.260 19.690 ( -26.517 -0.000 -4.680) 26.927 20.606 ( -18.598 -0.000 3.346) 18.896 21.428 ( -4.740 -0.000 1.946) 5.124 21.686 ( -12.786 -0.000 6.166) 14.195 22.311 ( 5.682 0.000 -0.237) 5.687 23.082 ( -12.589 -0.000 1.889) 12.729 23.439 ( 0.032 0.000 -5.697) 5.697 25.789 ( 1.102 -0.000 1.882) 2.181 26.038 ( 11.461 -0.000 5.365) 12.655 26.409 ( 25.018 0.000 4.800) 25.474 28.304 ( -9.082 -0.000 30.072) 31.414 30.243 ( -24.463 0.000 -16.888) 29.726 ======================= Grid point 380 (137/175) ======================= q-point: ( 0.21 0.62 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.886 ( 18.421 -0.000 39.240) 43.348 9.407 ( -16.622 -0.000 0.587) 16.633 9.986 ( 2.001 0.000 -47.001) 47.043 10.742 ( -32.337 -0.000 -3.667) 32.544 12.324 ( 22.888 -0.000 15.115) 27.428 13.777 ( 6.895 -0.000 23.849) 24.826 14.339 ( -1.219 0.000 -15.028) 15.077 15.129 ( 16.378 -0.000 11.734) 20.147 15.826 ( 14.891 0.000 3.378) 15.269 16.589 ( 12.671 0.000 -18.094) 22.090 18.025 ( -3.840 0.000 -12.871) 13.432 19.536 ( 1.290 0.000 -1.938) 2.328 19.817 ( 8.371 -0.000 4.634) 9.568 19.995 ( -10.009 -0.000 1.371) 10.103 21.046 ( -20.794 -0.000 -0.367) 20.798 21.314 ( -2.232 -0.000 2.050) 3.030 22.462 ( 1.828 0.000 0.329) 1.858 22.623 ( -6.040 0.000 -4.290) 7.408 23.509 ( 6.723 0.000 -1.420) 6.871 25.809 ( -0.537 -0.000 0.320) 0.625 26.355 ( 2.787 -0.000 3.713) 4.642 26.899 ( -10.807 -0.000 6.517) 12.620 28.354 ( -18.595 -0.000 -4.618) 19.159 29.387 ( 9.629 0.000 2.029) 9.841 ======================= Grid point 408 (138/175) ======================= q-point: ( 0.21 -0.71 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 444 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.560 ( 0.000 15.290 0.000) 15.290 8.710 ( -0.000 11.015 -0.000) 11.015 9.268 ( 0.000 -8.808 0.000) 8.808 9.373 ( -0.000 -19.805 -0.000) 19.805 10.931 ( 0.000 -11.089 0.000) 11.089 11.231 ( 0.000 -7.072 -0.000) 7.072 12.461 ( 0.000 -11.058 0.000) 11.058 12.963 ( 0.000 -26.065 -0.000) 26.065 18.026 ( -0.000 28.968 -0.000) 28.968 18.660 ( 0.000 2.460 0.000) 2.460 19.778 ( 0.000 3.245 0.000) 3.245 19.954 ( 0.000 -3.944 -0.000) 3.944 20.304 ( 0.000 13.881 0.000) 13.881 20.635 ( 0.000 5.889 -0.000) 5.889 20.911 ( -0.000 -8.407 0.000) 8.407 20.987 ( 0.000 -6.470 -0.000) 6.470 23.063 ( 0.000 10.026 0.000) 10.026 23.352 ( 0.000 -0.465 0.000) 0.465 24.183 ( 0.000 11.959 0.000) 11.959 24.705 ( 0.000 -13.287 -0.000) 13.287 26.501 ( 0.000 16.236 0.000) 16.236 26.573 ( 0.000 4.784 -0.000) 4.784 27.056 ( 0.000 -13.805 -0.000) 13.805 27.552 ( 0.000 -27.582 0.000) 27.582 ======================= Grid point 412 (139/175) ======================= q-point: ( 0.21 -0.21 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.439 ( -4.406 27.407 0.000) 27.759 8.704 ( -3.504 30.747 0.000) 30.946 9.464 ( 5.401 -10.400 -0.000) 11.718 10.392 ( 5.251 3.951 -0.000) 6.572 12.487 ( -22.499 12.855 0.000) 25.912 13.293 ( -37.658 -9.690 0.000) 38.885 14.260 ( -11.200 6.042 0.000) 12.726 15.180 ( -18.251 -0.939 0.000) 18.275 16.420 ( 0.394 -20.090 -0.000) 20.094 17.193 ( 33.089 -23.496 -0.000) 40.582 18.368 ( 28.530 -20.237 -0.000) 34.978 19.560 ( 3.404 -0.269 -0.000) 3.414 19.887 ( -0.865 0.593 0.000) 1.049 20.165 ( 5.532 -9.212 -0.000) 10.745 20.532 ( -7.024 11.008 0.000) 13.058 21.364 ( 5.673 -0.119 -0.000) 5.674 22.455 ( -1.681 0.394 0.000) 1.726 22.563 ( 5.852 3.802 -0.000) 6.979 23.680 ( 2.649 -6.084 -0.000) 6.636 25.761 ( -3.691 2.530 0.000) 4.475 26.448 ( -1.471 -1.172 0.000) 1.881 26.564 ( -1.517 20.953 0.000) 21.007 27.708 ( -7.331 22.832 0.000) 23.980 29.696 ( -10.191 -20.728 -0.000) 23.098 ======================= Grid point 419 (140/175) ======================= q-point: ( 0.21 -0.21 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.567 ( -1.999 -1.741 0.000) 2.651 8.897 ( -8.355 7.570 0.000) 11.274 9.377 ( -5.954 -2.607 0.000) 6.499 10.636 ( -18.471 -3.991 0.000) 18.897 11.797 ( -13.822 8.317 0.000) 16.131 12.624 ( -22.385 13.988 0.000) 26.396 13.860 ( -38.149 4.988 0.000) 38.474 15.637 ( 12.698 3.310 -0.000) 13.123 15.798 ( -4.481 -9.720 -0.000) 10.704 17.179 ( 25.428 -32.548 -0.000) 41.303 18.703 ( 31.593 -9.773 -0.000) 33.070 19.641 ( 5.864 -0.960 -0.000) 5.942 20.004 ( 5.072 -9.831 -0.000) 11.063 20.160 ( 6.100 7.571 0.000) 9.723 20.537 ( -11.904 8.862 0.000) 14.840 21.421 ( 3.990 -6.189 -0.000) 7.364 22.396 ( -1.981 0.162 0.000) 1.988 22.754 ( 1.178 -0.480 -0.000) 1.272 23.907 ( 18.886 12.250 -0.000) 22.511 25.709 ( -6.438 1.404 0.000) 6.589 26.358 ( 0.449 -4.216 -0.000) 4.239 26.841 ( -6.557 11.476 0.000) 13.218 28.000 ( -13.209 26.144 0.000) 29.292 29.025 ( -18.171 -13.520 0.000) 22.649 ======================= Grid point 425 (141/175) ======================= q-point: (-0.79 -0.21 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.571 ( 2.828 5.138 0.000) 5.865 8.916 ( -15.770 0.369 0.000) 15.774 9.043 ( 2.094 3.097 0.000) 3.739 9.656 ( -29.713 -16.950 0.000) 34.208 12.268 ( -6.191 39.061 0.000) 39.548 12.930 ( -26.011 12.183 0.000) 28.723 13.399 ( 9.702 21.823 0.000) 23.882 14.580 ( -25.228 -37.108 -0.000) 44.872 16.545 ( 24.477 5.807 -0.000) 25.156 16.973 ( 15.185 -28.785 -0.000) 32.545 19.233 ( 22.315 5.859 -0.000) 23.071 19.688 ( 0.321 -9.090 -0.000) 9.096 19.875 ( 4.703 -3.746 -0.000) 6.012 20.093 ( -11.765 -4.034 0.000) 12.437 20.796 ( 13.991 9.243 -0.000) 16.769 21.227 ( -3.041 -13.459 -0.000) 13.798 22.438 ( 3.166 2.933 -0.000) 4.316 22.616 ( -3.934 -6.046 -0.000) 7.213 24.766 ( 20.387 23.171 0.000) 30.863 25.460 ( -15.406 -6.444 0.000) 16.700 26.398 ( 8.677 0.841 -0.000) 8.718 26.709 ( -8.207 -7.814 0.000) 11.332 28.243 ( -15.056 26.134 0.000) 30.161 28.510 ( -22.837 5.527 0.000) 23.496 ======================= Grid point 431 (142/175) ======================= q-point: ( 0.21 0.62 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.577 ( 4.038 -11.754 51.802) 53.272 9.318 ( -15.723 -13.160 23.748) 31.374 9.927 ( -4.600 1.864 -48.941) 49.192 11.067 ( -24.616 4.458 -3.969) 25.329 12.040 ( 14.244 8.935 -9.356) 19.242 13.304 ( -15.409 -4.364 10.240) 19.009 14.128 ( -8.085 -14.438 6.620) 17.822 14.930 ( 16.044 -20.744 22.608) 34.624 15.611 ( -2.346 -17.136 -18.282) 25.167 16.354 ( 14.471 -17.901 -25.721) 34.517 18.588 ( 8.053 34.926 -4.334) 36.104 19.543 ( 4.110 -1.266 -1.718) 4.631 19.685 ( 3.809 -8.441 1.861) 9.446 20.316 ( 2.588 15.820 1.338) 16.086 21.186 ( -21.029 13.388 2.432) 25.048 21.368 ( -3.379 1.982 -0.769) 3.992 22.407 ( 0.292 -2.573 -1.223) 2.864 22.777 ( -1.684 1.031 -3.061) 3.643 23.684 ( 23.801 9.962 0.591) 25.808 25.788 ( -2.388 -0.624 0.356) 2.493 26.234 ( -1.144 -6.425 1.521) 6.701 26.921 ( -3.468 -8.052 7.358) 11.445 28.551 ( -7.493 10.286 15.875) 20.346 29.362 ( -8.094 15.411 -13.824) 22.229 ======================= Grid point 438 (143/175) ======================= q-point: ( 0.21 0.62 -0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.684 ( 13.264 6.644 56.507) 58.422 8.415 ( -22.941 -24.289 46.959) 57.632 9.882 ( -6.726 4.948 -36.192) 37.143 10.598 ( -15.963 1.506 -41.236) 44.243 12.578 ( 9.886 5.370 16.164) 19.694 13.345 ( 3.189 7.052 7.327) 10.658 13.804 ( -1.622 10.678 -14.127) 17.783 14.540 ( -15.146 -23.979 -10.981) 30.414 15.206 ( 22.759 -30.201 16.576) 41.289 16.403 ( 21.998 -19.116 -29.017) 41.126 19.330 ( -0.424 16.028 3.015) 16.315 19.596 ( 4.015 -6.724 -2.390) 8.188 19.843 ( 7.031 25.338 0.692) 26.305 20.531 ( -20.591 7.717 2.312) 22.111 20.936 ( -10.998 9.942 -0.016) 14.826 21.224 ( -7.780 -3.115 -3.596) 9.119 22.426 ( 3.817 0.904 -2.600) 4.706 22.608 ( -3.931 -6.612 -3.772) 8.567 24.685 ( 30.077 22.798 4.407) 37.997 25.549 ( -14.568 -11.324 3.400) 18.762 26.162 ( 7.611 -4.009 1.667) 8.762 26.497 ( -2.023 -20.429 2.189) 20.645 28.598 ( -13.219 15.121 25.419) 32.396 29.532 ( -15.566 21.266 -19.781) 32.953 ======================= Grid point 443 (144/175) ======================= q-point: ( 0.21 0.46 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.224 ( 15.767 9.527 69.686) 72.080 7.155 ( -21.442 -33.905 60.865) 72.896 10.310 ( 15.670 -26.704 41.740) 51.970 11.294 ( 8.686 -9.719 -12.655) 18.167 11.618 ( -1.439 -10.648 -34.505) 36.139 13.304 ( 5.676 11.858 -5.496) 14.249 13.833 ( -3.617 -0.317 2.268) 4.281 14.509 ( 16.150 5.615 -23.390) 28.974 15.198 ( -9.874 -30.024 -30.425) 43.870 16.742 ( 0.326 3.483 -48.072) 48.199 19.362 ( 0.961 -2.014 0.897) 2.405 19.415 ( 3.350 -3.997 -0.221) 5.220 20.516 ( -3.610 38.544 9.547) 39.872 20.948 ( -4.836 16.299 1.891) 17.106 21.428 ( -10.956 8.443 2.763) 14.105 21.603 ( -21.012 5.603 0.935) 21.766 22.357 ( 9.844 0.308 -1.595) 9.977 22.808 ( -19.150 -1.490 -4.713) 19.777 24.235 ( 39.906 15.291 7.485) 43.385 25.330 ( -14.489 -31.878 11.599) 36.887 25.887 ( 5.978 -4.893 0.789) 7.766 26.047 ( 4.348 -12.740 -2.125) 13.629 28.466 ( -6.542 11.448 33.954) 36.424 30.618 ( -9.808 20.075 -17.599) 28.441 ======================= Grid point 451 (145/175) ======================= q-point: ( 0.25 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.459 ( -22.916 -0.000 0.000) 22.916 8.782 ( -40.512 -0.000 0.000) 40.512 9.388 ( 10.637 0.000 -0.000) 10.637 10.338 ( -1.183 -0.000 0.000) 1.183 12.724 ( -25.495 -0.000 0.000) 25.495 13.777 ( -0.241 -0.000 0.000) 0.241 14.290 ( 14.941 0.000 -0.000) 14.941 15.494 ( 13.282 0.000 -0.000) 13.282 16.564 ( 7.092 0.000 -0.000) 7.092 16.591 ( 27.518 0.000 -0.000) 27.518 18.046 ( 18.522 0.000 -0.000) 18.522 19.524 ( -0.065 -0.000 0.000) 0.065 19.926 ( 1.751 0.000 -0.000) 1.751 20.083 ( 10.314 0.000 -0.000) 10.314 20.614 ( -15.101 -0.000 0.000) 15.101 21.305 ( -1.233 -0.000 0.000) 1.233 22.451 ( -3.612 -0.000 0.000) 3.612 22.518 ( 1.045 0.000 -0.000) 1.045 23.655 ( 7.941 0.000 -0.000) 7.941 25.798 ( -1.107 -0.000 0.000) 1.107 26.467 ( 1.908 0.000 -0.000) 1.908 26.578 ( -23.262 -0.000 0.000) 23.262 27.784 ( -22.797 -0.000 0.000) 22.797 29.803 ( 20.763 0.000 -0.000) 20.763 ======================= Grid point 454 (146/175) ======================= q-point: ( 0.25 0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.069 ( -0.000 -0.000 76.372) 76.372 5.069 ( -0.000 -0.000 76.372) 76.372 6.743 ( -0.000 -0.000 106.079) 106.079 11.968 ( 0.000 0.000 -31.785) 31.785 11.968 ( 0.000 0.000 -31.785) 31.785 14.134 ( 0.000 0.000 -17.524) 17.524 14.565 ( 0.000 0.000 -14.474) 14.474 14.663 ( 0.000 0.000 -24.728) 24.728 14.663 ( 0.000 0.000 -24.728) 24.728 18.171 ( 0.000 0.000 -51.424) 51.424 19.277 ( 0.000 0.000 -0.771) 0.771 19.277 ( 0.000 0.000 -0.771) 0.771 21.356 ( -0.000 -0.000 2.265) 2.265 21.484 ( 0.000 0.000 -12.832) 12.832 21.571 ( -0.000 -0.000 13.351) 13.351 21.571 ( -0.000 -0.000 13.351) 13.351 23.074 ( -0.000 -0.000 3.572) 3.572 23.298 ( -0.000 -0.000 18.340) 18.340 23.298 ( -0.000 -0.000 18.340) 18.340 23.941 ( 0.000 0.000 -9.010) 9.010 25.779 ( 0.000 0.000 -0.519) 0.519 25.779 ( 0.000 0.000 -0.519) 0.519 28.010 ( -0.000 -0.000 40.640) 40.640 31.583 ( 0.000 0.000 -15.711) 15.711 ======================= Grid point 455 (147/175) ======================= q-point: ( 0.25 0.42 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 482 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.055 ( -7.546 -0.000 72.563) 72.954 7.429 ( 35.964 -0.000 58.448) 68.627 10.072 ( 39.286 -0.000 66.008) 76.815 11.244 ( 2.300 0.000 -30.883) 30.968 11.625 ( 16.274 0.000 -35.866) 39.386 13.243 ( -19.232 -0.000 -6.757) 20.385 13.882 ( -1.058 0.000 -2.270) 2.504 14.324 ( 0.048 0.000 -18.322) 18.322 15.301 ( 33.101 0.000 -30.503) 45.012 16.744 ( -6.536 0.000 -53.085) 53.486 19.353 ( 2.815 0.000 0.900) 2.955 19.377 ( 3.466 0.000 0.106) 3.467 20.549 ( -41.806 -0.000 8.818) 42.726 20.983 ( -17.757 -0.000 0.258) 17.759 21.540 ( -6.898 -0.000 2.841) 7.460 21.899 ( -7.598 -0.000 0.221) 7.601 22.204 ( 2.379 -0.000 3.297) 4.065 23.343 ( -11.602 -0.000 2.512) 11.871 23.478 ( -3.957 -0.000 0.860) 4.049 25.513 ( 36.647 0.000 14.057) 39.251 25.796 ( 2.195 0.000 -0.570) 2.268 26.001 ( 11.668 0.000 -2.733) 11.984 28.535 ( -11.657 -0.000 34.561) 36.474 30.720 ( -21.129 0.000 -17.829) 27.646 ======================= Grid point 456 (148/175) ======================= q-point: ( 0.25 0.58 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.535 ( 13.050 -0.000 53.911) 55.468 9.486 ( 8.829 -0.000 18.512) 20.509 9.976 ( -1.469 0.000 -51.226) 51.247 11.411 ( -29.030 -0.000 -3.049) 29.190 11.829 ( 23.468 0.000 -5.739) 24.160 13.486 ( 16.934 -0.000 28.466) 33.122 14.153 ( 15.785 0.000 -2.228) 15.941 14.787 ( 18.423 -0.000 22.487) 29.070 15.606 ( 11.229 0.000 -26.057) 28.374 16.220 ( 21.140 0.000 -29.048) 35.926 18.506 ( -41.529 -0.000 -4.089) 41.730 19.499 ( 2.133 0.000 -1.632) 2.686 19.643 ( 7.844 0.000 2.328) 8.182 20.289 ( -16.843 -0.000 1.485) 16.908 21.361 ( -2.399 -0.000 0.040) 2.399 21.488 ( -20.475 -0.000 4.815) 21.033 22.405 ( 3.482 0.000 0.621) 3.537 22.792 ( -10.211 -0.000 -4.175) 11.032 23.400 ( 3.086 0.000 -1.570) 3.462 25.807 ( 0.541 0.000 -0.504) 0.739 26.253 ( 6.581 0.000 1.537) 6.758 26.957 ( 8.096 -0.000 8.065) 11.427 28.630 ( -10.219 -0.000 15.806) 18.821 29.446 ( -15.006 0.000 -13.522) 20.199 ======================= Grid point 490 (149/175) ======================= q-point: (-0.75 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 134 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.871 ( -3.589 -3.589 0.000) 5.076 8.871 ( 3.589 3.589 0.000) 5.076 9.071 ( -1.111 -1.111 -0.000) 1.571 9.071 ( 1.111 1.111 -0.000) 1.571 10.980 ( -8.395 -8.395 0.000) 11.873 10.980 ( 8.395 8.395 0.000) 11.873 12.528 ( -9.874 -9.874 -0.000) 13.964 12.528 ( 9.874 9.874 0.000) 13.964 18.504 ( -11.088 -11.088 -0.000) 15.680 18.504 ( 11.088 11.088 0.000) 15.680 19.861 ( -3.122 -3.122 -0.000) 4.416 19.861 ( 3.122 3.122 -0.000) 4.416 20.587 ( -7.888 -7.888 0.000) 11.156 20.587 ( 7.888 7.888 0.000) 11.156 20.859 ( -3.314 -3.314 -0.000) 4.686 20.859 ( 3.314 3.314 -0.000) 4.686 23.256 ( -5.335 -5.335 0.000) 7.545 23.256 ( 5.335 5.335 0.000) 7.545 24.438 ( -8.501 -8.501 0.000) 12.022 24.438 ( 8.501 8.501 0.000) 12.022 26.700 ( -3.349 -3.349 0.000) 4.736 26.700 ( 3.349 3.349 -0.000) 4.736 27.035 ( -13.007 -13.007 -0.000) 18.395 27.035 ( 13.007 13.007 0.000) 18.395 ======================= Grid point 496 (150/175) ======================= q-point: ( 0.25 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.592 ( -0.565 -3.799 -0.000) 3.841 9.060 ( -6.861 -1.731 0.000) 7.076 9.444 ( -0.757 12.402 0.000) 12.425 10.756 ( 2.102 24.728 0.000) 24.818 12.230 ( -23.923 -24.623 -0.000) 34.331 13.295 ( -38.146 1.346 0.000) 38.170 14.441 ( -11.467 5.892 0.000) 12.892 15.269 ( 12.837 5.555 -0.000) 13.988 15.941 ( -4.515 -23.903 -0.000) 24.325 16.612 ( 26.549 -31.934 -0.000) 41.529 18.125 ( 21.852 0.849 -0.000) 21.868 19.548 ( 3.175 -0.912 -0.000) 3.303 19.903 ( 3.704 -8.088 -0.000) 8.895 20.050 ( 3.804 8.208 0.000) 9.047 20.856 ( -15.363 17.811 0.000) 23.521 21.361 ( 2.123 -0.205 -0.000) 2.133 22.440 ( -2.197 -1.713 0.000) 2.786 22.671 ( 6.707 5.737 -0.000) 8.826 23.596 ( 10.175 -0.975 -0.000) 10.221 25.790 ( -1.965 0.531 0.000) 2.036 26.375 ( -1.512 -5.013 -0.000) 5.236 26.945 ( -3.352 13.167 0.000) 13.587 28.213 ( -7.174 25.896 0.000) 26.871 29.316 ( -9.779 -14.594 -0.000) 17.568 ======================= Grid point 502 (151/175) ======================= q-point: (-0.75 -0.25 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.526 ( 1.512 0.308 -0.000) 1.543 8.992 ( -0.040 5.058 0.000) 5.058 9.305 ( -17.155 -6.570 0.000) 18.370 10.343 ( -35.578 -19.909 0.000) 40.770 12.224 ( 11.878 27.755 0.000) 30.190 12.991 ( -6.808 20.044 0.000) 21.169 13.881 ( -31.195 -3.081 0.000) 31.347 14.996 ( -14.109 -36.049 -0.000) 38.712 16.017 ( 26.441 -1.133 -0.000) 26.465 16.494 ( 28.485 -33.488 -0.000) 43.964 18.808 ( 17.486 21.960 0.000) 28.072 19.620 ( 4.986 -1.082 -0.000) 5.102 19.788 ( 4.154 -8.791 -0.000) 9.723 20.361 ( -4.450 10.251 0.000) 11.175 20.728 ( -14.544 9.644 0.000) 17.451 21.295 ( -3.276 -5.918 -0.000) 6.765 22.396 ( 1.059 -0.100 -0.000) 1.064 22.693 ( -3.350 -5.055 -0.000) 6.064 24.262 ( 27.635 21.179 -0.000) 34.818 25.700 ( -7.797 -2.427 0.000) 8.166 26.265 ( 3.538 -4.584 -0.000) 5.791 26.878 ( -7.666 -9.080 -0.000) 11.883 28.543 ( -13.053 26.052 0.000) 29.139 28.918 ( -16.519 3.978 0.000) 16.991 ======================= Grid point 509 (152/175) ======================= q-point: ( 0.25 0.75 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.759 ( -12.221 -7.986 0.000) 14.599 8.759 ( 7.986 12.221 0.000) 14.599 9.375 ( -15.919 -3.251 0.000) 16.248 9.375 ( 3.251 15.919 0.000) 16.248 13.022 ( -26.938 2.735 0.000) 27.076 13.022 ( -2.735 26.938 0.000) 27.076 13.887 ( -22.693 -27.022 0.000) 35.287 13.887 ( 27.022 22.693 0.000) 35.287 16.362 ( 24.940 -26.818 0.000) 36.622 16.362 ( 26.818 -24.940 0.000) 36.622 19.483 ( -7.318 -5.019 0.000) 8.873 19.483 ( 5.019 7.318 0.000) 8.873 19.988 ( -18.532 -5.808 0.000) 19.421 19.988 ( 5.808 18.532 0.000) 19.421 20.995 ( -8.267 -7.298 0.000) 11.027 20.995 ( 7.298 8.267 0.000) 11.027 22.497 ( -2.210 -4.704 0.000) 5.198 22.497 ( 4.704 2.210 0.000) 5.198 25.223 ( -20.495 -17.249 0.000) 26.788 25.223 ( 17.249 20.495 0.000) 26.788 26.442 ( -2.263 -14.144 0.000) 14.324 26.442 ( 14.144 2.263 0.000) 14.324 28.745 ( -19.155 17.925 0.000) 26.234 28.745 ( -17.925 19.155 0.000) 26.234 ======================= Grid point 515 (153/175) ======================= q-point: ( 0.25 0.58 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.472 ( 7.086 1.764 62.695) 63.119 8.884 ( -19.677 -26.068 41.661) 52.937 9.999 ( -4.209 4.729 -46.614) 47.042 10.979 ( -20.858 -10.089 -26.887) 35.493 12.224 ( 22.566 2.288 8.236) 24.131 13.234 ( 5.227 -2.534 20.557) 21.362 13.879 ( -1.666 -6.899 -6.704) 9.763 14.500 ( 8.536 -18.782 17.676) 27.168 15.144 ( -7.538 -26.125 -26.768) 38.156 16.001 ( 15.126 -15.846 -36.398) 42.482 19.358 ( -2.355 14.962 2.583) 15.365 19.524 ( 2.797 -5.745 0.344) 6.399 19.704 ( 5.972 36.148 0.097) 36.638 20.654 ( 0.435 16.426 1.507) 16.501 21.339 ( -7.769 1.836 -0.868) 8.030 21.499 ( -26.673 10.135 3.088) 28.700 22.355 ( 2.718 -2.310 -1.170) 3.754 22.748 ( -10.982 -2.939 -4.656) 12.285 23.988 ( 35.881 18.220 3.131) 40.364 25.753 ( -4.999 -3.359 0.932) 6.094 26.082 ( 0.165 -8.271 0.932) 8.325 26.536 ( -1.325 -26.887 5.205) 27.418 28.812 ( -7.280 15.130 26.456) 31.334 29.778 ( -8.172 22.183 -20.056) 31.002 ======================= Grid point 522 (154/175) ======================= q-point: ( 0.25 0.58 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.936 ( -0.289 0.289 65.175) 65.176 7.966 ( 2.067 -2.067 51.716) 51.798 9.998 ( -6.049 6.049 -33.277) 34.359 10.640 ( -3.066 3.066 -50.517) 50.703 12.453 ( 17.301 -17.301 39.039) 46.072 13.368 ( 2.077 -2.077 0.869) 3.064 14.005 ( 5.704 -5.704 -0.601) 8.089 14.203 ( -1.097 1.097 -32.474) 32.511 14.691 ( 16.437 -16.437 8.775) 24.846 16.013 ( 17.452 -17.452 -39.107) 46.244 19.416 ( 1.122 -1.122 1.948) 2.513 19.483 ( 4.222 -4.222 -1.210) 6.092 20.566 ( -22.767 22.767 10.941) 34.005 20.733 ( -20.947 20.947 2.515) 29.730 21.137 ( -10.518 10.518 -0.604) 14.887 21.228 ( -6.209 6.209 -6.031) 10.653 22.458 ( 3.458 -3.458 -3.112) 5.797 22.480 ( -0.888 0.888 -4.103) 4.291 25.132 ( 4.235 -4.235 5.648) 8.233 25.141 ( 5.012 -5.012 5.094) 8.728 26.059 ( 7.558 -7.558 2.694) 11.023 26.148 ( 9.760 -9.760 -1.536) 13.888 28.904 ( -13.590 13.590 28.812) 34.634 29.934 ( -17.026 17.026 -21.340) 32.174 ======================= Grid point 527 (155/175) ======================= q-point: ( 0.25 0.42 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.493 ( -1.294 1.294 74.202) 74.225 6.634 ( 3.255 -3.255 66.218) 66.377 9.651 ( 31.437 -31.437 78.006) 89.786 11.203 ( -0.152 0.152 -32.308) 32.309 11.446 ( 7.267 -7.267 -39.966) 41.266 13.476 ( -6.488 6.488 -9.140) 12.951 13.918 ( -6.429 6.429 -4.948) 10.351 14.605 ( 12.429 -12.429 -28.141) 33.179 14.625 ( 8.416 -8.416 -21.499) 24.574 16.827 ( -3.863 3.863 -59.520) 59.770 19.318 ( 1.726 -1.726 0.671) 2.532 19.342 ( 2.878 -2.878 -0.166) 4.074 21.042 ( -13.035 13.035 9.037) 20.530 21.210 ( -6.930 6.930 -0.066) 9.801 21.636 ( -6.856 6.856 4.151) 10.547 21.779 ( -11.587 11.587 4.037) 16.876 22.444 ( -7.540 7.540 2.073) 10.863 22.885 ( -14.812 14.812 -3.407) 21.223 24.467 ( 19.011 -19.011 12.152) 29.504 24.545 ( 15.908 -15.908 8.959) 24.216 25.822 ( 2.818 -2.818 -0.211) 3.991 25.866 ( 5.027 -5.027 -1.675) 7.304 28.663 ( -6.971 6.971 36.099) 37.422 30.953 ( -11.741 11.741 -18.818) 25.096 ======================= Grid point 529 (156/175) ======================= q-point: ( 0.29 -0.29 -0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.597 ( 3.832 0.000 -0.000) 3.832 9.141 ( 10.452 0.000 -0.000) 10.452 9.441 ( -22.759 -0.000 0.000) 22.759 10.717 ( -30.229 -0.000 0.000) 30.229 12.521 ( 31.392 0.000 -0.000) 31.392 13.938 ( 17.067 0.000 -0.000) 17.067 14.263 ( -27.251 -0.000 0.000) 27.251 15.221 ( 14.260 0.000 -0.000) 14.260 16.018 ( 27.887 0.000 -0.000) 27.887 16.256 ( 21.951 0.000 -0.000) 21.951 17.889 ( -7.753 -0.000 0.000) 7.753 19.514 ( 1.041 0.000 -0.000) 1.041 19.866 ( 10.352 0.000 -0.000) 10.352 20.009 ( -10.387 -0.000 0.000) 10.387 21.044 ( -24.239 -0.000 0.000) 24.239 21.333 ( -1.422 -0.000 0.000) 1.422 22.480 ( 2.519 0.000 -0.000) 2.519 22.560 ( -7.009 -0.000 0.000) 7.009 23.496 ( 7.134 0.000 -0.000) 7.134 25.808 ( 0.061 0.000 -0.000) 0.061 26.395 ( 4.953 0.000 -0.000) 4.953 26.979 ( -13.759 -0.000 0.000) 13.759 28.288 ( -25.797 -0.000 0.000) 25.797 29.417 ( 15.023 0.000 -0.000) 15.023 ======================= Grid point 533 (157/175) ======================= q-point: ( 0.29 0.38 -0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.341 ( -17.119 -0.000 73.954) 75.910 6.809 ( 22.502 -0.000 66.182) 69.903 9.272 ( 34.203 -0.000 89.935) 96.220 11.234 ( -0.293 0.000 -38.115) 38.117 11.345 ( 10.015 0.000 -38.393) 39.678 13.565 ( -13.342 0.000 -12.441) 18.243 14.017 ( -10.224 0.000 -10.617) 14.739 14.297 ( 3.421 0.000 -18.648) 18.959 14.660 ( 27.455 0.000 -24.266) 36.642 16.871 ( -5.071 0.000 -63.767) 63.968 19.300 ( 1.969 0.000 0.744) 2.104 19.309 ( 2.725 0.000 0.116) 2.727 21.165 ( -18.844 -0.000 6.941) 20.081 21.269 ( -7.814 -0.000 -2.390) 8.172 21.705 ( -6.344 -0.000 6.955) 9.414 21.886 ( 7.520 0.000 0.683) 7.550 22.520 ( -34.966 -0.000 5.199) 35.351 23.505 ( -4.858 0.000 -4.663) 6.733 23.606 ( -6.758 -0.000 15.644) 17.042 24.622 ( 46.938 0.000 11.268) 48.272 25.774 ( 0.560 0.000 -0.469) 0.731 25.830 ( 5.744 0.000 -1.124) 5.853 28.736 ( -7.183 -0.000 36.757) 37.452 31.077 ( -12.654 0.000 -19.519) 23.262 ======================= Grid point 534 (158/175) ======================= q-point: ( 0.29 0.54 -0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.398 ( 0.016 -0.000 65.062) 65.062 9.107 ( 25.451 -0.000 36.669) 44.636 10.043 ( -4.665 0.000 -51.061) 51.273 11.317 ( 23.614 0.000 -23.847) 33.560 11.859 ( -7.668 -0.000 12.840) 14.955 13.169 ( 10.570 -0.000 30.482) 32.262 13.883 ( 8.563 0.000 -8.859) 12.321 14.422 ( 15.507 -0.000 17.984) 23.746 15.231 ( 24.746 0.000 -35.095) 42.942 15.840 ( 14.147 0.000 -38.608) 41.118 19.396 ( -7.494 -0.000 3.095) 8.108 19.492 ( 4.029 -0.000 1.971) 4.485 19.631 ( -45.569 -0.000 -1.236) 45.586 20.645 ( -17.140 -0.000 0.908) 17.164 21.406 ( -2.142 0.000 -2.955) 3.649 21.828 ( -11.385 -0.000 6.387) 13.054 22.325 ( 4.103 0.000 1.431) 4.345 23.028 ( -11.890 0.000 -5.296) 13.016 23.419 ( -5.761 -0.000 1.931) 6.076 25.792 ( 0.855 0.000 -0.622) 1.057 26.097 ( 8.392 0.000 1.151) 8.471 26.548 ( 29.881 0.000 6.528) 30.586 28.888 ( -15.155 -0.000 26.765) 30.758 29.863 ( -22.581 0.000 -20.127) 30.249 ======================= Grid point 579 (159/175) ======================= q-point: (-0.71 -0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.505 ( 0.593 -2.467 -0.000) 2.538 9.004 ( -0.849 0.241 0.000) 0.883 9.592 ( -9.834 -1.113 0.000) 9.897 11.035 ( -28.967 -7.710 0.000) 29.976 11.937 ( 12.618 5.820 -0.000) 13.895 13.327 ( -22.092 3.366 0.000) 22.347 14.374 ( -14.264 -11.511 0.000) 18.330 15.057 ( 10.441 -26.180 -0.000) 28.185 15.577 ( 11.739 -14.271 -0.000) 18.478 15.941 ( 21.226 -31.946 -0.000) 38.355 18.546 ( 8.003 39.344 0.000) 40.150 19.523 ( 3.845 -1.346 -0.000) 4.074 19.707 ( 3.335 -8.932 -0.000) 9.534 20.330 ( 2.555 16.100 0.000) 16.301 21.215 ( -23.518 15.784 0.000) 28.323 21.357 ( -3.592 0.386 0.000) 3.613 22.394 ( -0.949 -2.562 -0.000) 2.732 22.742 ( -0.966 0.201 0.000) 0.987 23.693 ( 25.270 11.086 -0.000) 27.595 25.788 ( -1.541 -0.625 0.000) 1.663 26.250 ( -1.140 -7.068 -0.000) 7.159 27.003 ( -4.200 -9.123 -0.000) 10.043 28.754 ( -7.130 26.210 0.000) 27.163 29.179 ( -8.673 2.555 0.000) 9.041 ======================= Grid point 586 (160/175) ======================= q-point: (-0.71 -0.29 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.609 ( 5.843 7.669 0.000) 9.641 9.040 ( -10.966 -8.269 0.000) 13.735 9.252 ( -0.287 10.942 0.000) 10.946 9.938 ( -31.022 -18.172 0.000) 35.953 12.786 ( 20.846 24.687 0.000) 32.311 13.361 ( -0.486 11.810 0.000) 11.820 13.756 ( -15.667 -6.603 0.000) 17.002 14.291 ( -15.158 -30.337 -0.000) 33.913 15.728 ( 29.877 -22.860 -0.000) 37.620 15.819 ( 28.350 -31.582 -0.000) 42.440 19.374 ( 1.927 16.984 0.000) 17.093 19.557 ( 0.758 -5.515 -0.000) 5.567 19.854 ( 6.930 27.406 0.000) 28.269 20.562 ( -23.543 9.151 0.000) 25.259 20.933 ( -10.630 10.211 0.000) 14.740 21.184 ( -8.290 -4.701 0.000) 9.530 22.398 ( 4.055 0.472 -0.000) 4.082 22.567 ( -4.072 -6.769 -0.000) 7.900 24.731 ( 30.269 23.392 -0.000) 38.254 25.582 ( -13.699 -10.380 0.000) 17.188 26.179 ( 9.068 -3.670 -0.000) 9.783 26.523 ( -4.127 -22.318 -0.000) 22.697 29.049 ( -13.518 22.680 0.000) 26.403 29.138 ( -15.800 15.091 0.000) 21.849 ======================= Grid point 599 (161/175) ======================= q-point: ( 0.29 0.54 -0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.631 ( 10.945 12.601 65.688) 67.775 8.342 ( -17.387 -24.872 53.490) 61.499 10.110 ( -4.222 5.816 -39.277) 39.929 10.741 ( -6.813 -11.567 -42.495) 44.565 11.982 ( 24.457 -23.608 48.468) 59.200 13.253 ( 7.704 3.388 0.377) 8.425 13.839 ( 5.115 0.902 -7.379) 9.024 14.212 ( 3.069 -9.068 -2.861) 9.991 14.622 ( -4.930 -22.557 -19.759) 30.390 15.728 ( 9.583 -10.354 -48.684) 50.687 19.381 ( 1.539 -2.297 0.808) 2.881 19.416 ( 2.356 -4.446 0.179) 5.035 20.724 ( -3.301 46.251 9.897) 47.413 20.979 ( -1.087 15.382 0.986) 15.452 21.385 ( -7.974 5.674 -5.701) 11.326 21.678 ( -27.881 6.766 5.060) 29.133 22.331 ( 5.557 1.088 -0.698) 5.705 22.696 ( -21.050 -1.239 -5.286) 21.739 24.376 ( 41.966 18.237 5.423) 46.077 25.510 ( -15.554 -27.547 5.682) 32.141 25.904 ( 6.011 -7.207 0.756) 9.415 26.027 ( 4.818 -15.540 -0.030) 16.270 29.127 ( -7.643 14.278 30.392) 34.438 30.209 ( -9.293 18.686 -22.217) 30.482 ======================= Grid point 607 (162/175) ======================= q-point: ( 0.33 0.67 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.499 ( 3.341 0.000 -0.000) 3.341 9.015 ( 1.344 0.000 -0.000) 1.344 9.693 ( -1.718 -0.000 0.000) 1.718 11.384 ( -31.944 -0.000 0.000) 31.944 11.779 ( 38.184 0.000 -0.000) 38.184 13.660 ( 9.063 0.000 -0.000) 9.063 14.432 ( 11.243 0.000 -0.000) 11.243 14.888 ( 18.031 0.000 -0.000) 18.031 15.461 ( 25.819 0.000 -0.000) 25.819 15.739 ( 26.337 0.000 -0.000) 26.337 18.467 ( -46.438 -0.000 0.000) 46.438 19.481 ( 2.182 0.000 -0.000) 2.182 19.669 ( 8.599 0.000 -0.000) 8.599 20.303 ( -16.686 -0.000 0.000) 16.686 21.358 ( -0.848 -0.000 0.000) 0.848 21.543 ( -22.559 -0.000 0.000) 22.559 22.419 ( 3.277 0.000 -0.000) 3.277 22.736 ( -9.929 -0.000 0.000) 9.929 23.388 ( 2.322 0.000 -0.000) 2.322 25.799 ( 0.682 0.000 -0.000) 0.682 26.268 ( 7.201 0.000 -0.000) 7.201 27.047 ( 8.965 0.000 -0.000) 8.965 28.828 ( -26.297 -0.000 0.000) 26.297 29.269 ( -1.966 -0.000 0.000) 1.966 ======================= Grid point 612 (163/175) ======================= q-point: ( 0.33 0.33 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.568 ( -0.000 -0.000 69.487) 69.487 6.568 ( -0.000 -0.000 69.487) 69.487 8.870 ( -0.000 -0.000 100.952) 100.952 11.238 ( 0.000 0.000 -39.122) 39.122 11.238 ( 0.000 0.000 -39.122) 39.122 13.764 ( 0.000 0.000 -18.513) 18.513 14.199 ( 0.000 0.000 -19.825) 19.825 14.199 ( 0.000 0.000 -19.825) 19.825 14.300 ( 0.000 0.000 -10.426) 10.426 16.927 ( 0.000 0.000 -67.725) 67.725 19.279 ( -0.000 -0.000 0.655) 0.655 19.279 ( -0.000 -0.000 0.655) 0.655 21.336 ( 0.000 0.000 -2.879) 2.879 21.386 ( -0.000 -0.000 0.590) 0.590 21.762 ( -0.000 -0.000 6.032) 6.032 21.762 ( -0.000 -0.000 6.032) 6.032 23.165 ( -0.000 -0.000 5.286) 5.286 23.682 ( -0.000 -0.000 17.697) 17.697 23.682 ( -0.000 -0.000 17.697) 17.697 23.764 ( 0.000 0.000 -8.433) 8.433 25.769 ( 0.000 0.000 -0.444) 0.444 25.769 ( 0.000 0.000 -0.444) 0.444 28.812 ( -0.000 -0.000 37.430) 37.430 31.211 ( 0.000 0.000 -20.498) 20.498 ======================= Grid point 613 (164/175) ======================= q-point: ( 0.33 0.50 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.516 ( -10.436 -0.000 68.319) 69.112 8.544 ( 26.954 -0.000 48.714) 55.674 10.154 ( -5.886 0.000 -45.313) 45.694 10.852 ( 20.589 0.000 -35.800) 41.298 11.666 ( 22.704 -0.000 54.072) 58.645 13.156 ( -6.621 -0.000 0.084) 6.621 13.788 ( 1.345 0.000 -8.797) 8.899 14.178 ( 8.514 -0.000 4.625) 9.689 14.688 ( 25.458 0.000 -26.552) 36.785 15.629 ( 7.020 0.000 -52.581) 53.048 19.365 ( 2.825 0.000 0.275) 2.839 19.390 ( 4.337 0.000 0.887) 4.427 20.757 ( -49.173 -0.000 10.410) 50.263 20.980 ( -15.597 -0.000 -0.218) 15.599 21.475 ( -6.596 0.000 -7.432) 9.937 21.954 ( -1.501 -0.000 3.832) 4.116 22.265 ( -0.465 -0.000 2.551) 2.593 23.248 ( -9.269 0.000 -5.374) 10.715 23.631 ( -13.163 -0.000 7.232) 15.019 25.748 ( 29.190 0.000 7.243) 30.075 25.786 ( 10.675 0.000 0.825) 10.707 25.961 ( 10.949 0.000 -1.454) 11.045 29.207 ( -14.594 -0.000 30.884) 34.158 30.305 ( -19.413 0.000 -22.542) 29.749 ======================= Grid point 666 (165/175) ======================= q-point: (-0.67 -0.33 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.520 ( 2.860 3.821 0.000) 4.773 9.096 ( 0.866 7.769 0.000) 7.817 9.430 ( -10.513 -12.149 -0.000) 16.066 10.597 ( -30.926 -26.482 0.000) 40.715 12.295 ( 23.931 20.350 -0.000) 31.414 13.433 ( -7.401 5.457 0.000) 9.195 13.999 ( -3.374 -24.148 -0.000) 24.382 14.478 ( -3.178 -25.788 -0.000) 25.983 15.200 ( 19.911 -21.127 -0.000) 29.031 15.344 ( 14.307 -25.515 -0.000) 29.253 19.388 ( -2.541 12.002 0.000) 12.268 19.524 ( 1.568 -3.829 -0.000) 4.138 19.712 ( 6.527 40.981 0.000) 41.498 20.670 ( 1.226 16.360 0.000) 16.406 21.315 ( -5.035 -1.023 0.000) 5.138 21.546 ( -31.694 12.579 0.000) 34.099 22.342 ( 0.965 -2.229 -0.000) 2.429 22.694 ( -9.942 -3.706 0.000) 10.610 24.023 ( 36.766 19.502 -0.000) 41.618 25.760 ( -3.580 -2.599 0.000) 4.424 26.090 ( -0.006 -8.312 -0.000) 8.312 26.595 ( -2.543 -28.221 -0.000) 28.335 29.270 ( -7.548 23.484 0.000) 24.667 29.386 ( -8.140 15.270 0.000) 17.304 ======================= Grid point 673 (166/175) ======================= q-point: ( 0.33 0.67 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.818 ( -7.633 -6.447 0.000) 9.991 8.818 ( 6.447 7.633 0.000) 9.991 9.619 ( -13.132 -3.820 0.000) 13.676 9.619 ( 3.820 13.132 0.000) 13.676 13.171 ( -3.423 -17.190 0.000) 17.527 13.171 ( 17.190 3.423 0.000) 17.527 13.850 ( -11.086 -11.684 0.000) 16.106 13.850 ( 11.684 11.086 0.000) 16.106 15.227 ( 23.957 -24.044 0.000) 33.942 15.227 ( 24.044 -23.957 0.000) 33.942 19.454 ( 1.704 -3.589 0.000) 3.973 19.454 ( 3.589 -1.704 0.000) 3.973 20.733 ( -41.864 7.700 0.000) 42.566 20.733 ( -7.700 41.864 0.000) 42.566 21.137 ( -8.862 5.200 0.000) 10.275 21.137 ( -5.200 8.862 0.000) 10.275 22.430 ( -3.355 -6.196 -0.000) 7.046 22.430 ( 6.196 3.355 -0.000) 7.046 25.192 ( -20.766 -28.989 -0.000) 35.659 25.192 ( 28.989 20.766 -0.000) 35.659 26.111 ( 3.601 -14.583 -0.000) 15.021 26.111 ( 14.583 -3.601 -0.000) 15.021 29.457 ( -15.628 15.544 0.000) 22.042 29.457 ( -15.544 15.628 0.000) 22.042 ======================= Grid point 686 (167/175) ======================= q-point: ( 0.33 0.50 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.912 ( 0.779 -0.779 57.513) 57.523 7.929 ( 0.865 -0.865 64.254) 64.266 10.228 ( -5.084 5.084 -33.326) 34.093 10.551 ( 5.916 -5.916 -46.754) 47.497 11.442 ( 24.595 -24.595 66.847) 75.355 13.291 ( -0.069 0.069 -11.825) 11.826 13.858 ( 0.494 -0.494 -2.598) 2.690 14.061 ( 6.363 -6.363 -23.309) 24.986 14.321 ( 5.555 -5.555 -4.189) 8.903 15.577 ( 4.476 -4.476 -58.952) 59.290 19.335 ( 1.868 -1.868 0.783) 2.755 19.345 ( 2.405 -2.405 0.237) 3.409 21.183 ( -8.204 8.204 4.766) 12.543 21.232 ( -4.571 4.571 1.388) 6.611 21.711 ( -9.583 9.583 3.374) 13.966 21.816 ( -10.127 10.127 -0.343) 14.326 22.508 ( -14.396 14.396 4.658) 20.886 22.777 ( -17.503 17.503 -6.623) 25.624 24.681 ( 17.698 -17.698 7.838) 26.227 24.709 ( 16.649 -16.649 6.109) 24.324 25.821 ( 3.317 -3.317 0.082) 4.692 25.840 ( 4.349 -4.349 -0.913) 6.217 29.364 ( -8.236 8.236 32.291) 34.327 30.516 ( -10.584 10.584 -23.697) 28.028 ======================= Grid point 687 (168/175) ======================= q-point: ( 0.38 0.62 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.491 ( -2.420 -0.000 0.000) 2.420 9.085 ( -7.836 -0.000 0.000) 7.836 9.548 ( 14.222 0.000 -0.000) 14.222 11.007 ( 35.931 0.000 -0.000) 35.931 11.968 ( -23.890 -0.000 0.000) 23.890 13.568 ( 0.432 0.000 -0.000) 0.432 13.954 ( 31.045 0.000 -0.000) 31.045 14.497 ( 19.305 0.000 -0.000) 19.305 14.981 ( 20.139 0.000 -0.000) 20.139 15.225 ( 23.017 0.000 -0.000) 23.017 19.428 ( 2.902 0.000 -0.000) 2.902 19.514 ( 6.484 0.000 -0.000) 6.484 19.624 ( -62.068 -0.000 0.000) 62.068 20.653 ( -16.791 -0.000 0.000) 16.791 21.367 ( -0.073 -0.000 0.000) 0.073 21.899 ( -10.838 -0.000 0.000) 10.838 22.347 ( 3.637 0.000 -0.000) 3.637 22.959 ( -11.388 -0.000 0.000) 11.388 23.446 ( -8.606 -0.000 0.000) 8.606 25.783 ( 0.764 0.000 -0.000) 0.764 26.107 ( 8.256 0.000 -0.000) 8.256 26.621 ( 30.655 0.000 -0.000) 30.655 29.349 ( -23.846 -0.000 0.000) 23.846 29.470 ( -15.329 -0.000 0.000) 15.329 ======================= Grid point 693 (169/175) ======================= q-point: ( 0.38 0.46 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.762 ( -11.401 -0.000 63.552) 64.567 8.077 ( 16.937 -0.000 56.219) 58.715 10.283 ( -6.551 0.000 -38.203) 38.760 10.508 ( 12.002 0.000 -41.557) 43.255 11.145 ( 23.812 -0.000 74.891) 78.586 13.286 ( -4.513 0.000 -17.471) 18.045 13.821 ( -3.820 0.000 -8.712) 9.512 14.010 ( 9.411 0.000 -11.266) 14.679 14.286 ( 11.438 0.000 -6.948) 13.383 15.533 ( 2.659 0.000 -62.848) 62.904 19.314 ( 1.868 0.000 0.486) 1.930 19.320 ( 2.440 0.000 0.673) 2.531 21.236 ( -10.263 -0.000 0.038) 10.263 21.301 ( -6.297 -0.000 4.640) 7.822 21.763 ( -11.122 -0.000 -0.485) 11.132 21.911 ( 4.622 0.000 1.760) 4.945 22.609 ( -38.301 -0.000 3.379) 38.450 23.409 ( -6.453 0.000 -3.890) 7.535 23.878 ( -9.347 -0.000 9.682) 13.458 24.824 ( 48.572 0.000 7.520) 49.151 25.765 ( 0.388 0.000 -0.367) 0.534 25.814 ( 4.943 0.000 -0.465) 4.965 29.451 ( -8.505 -0.000 32.899) 33.981 30.627 ( -11.156 0.000 -24.302) 26.741 ======================= Grid point 753 (170/175) ======================= q-point: (-0.62 -0.38 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.642 ( 6.076 7.348 0.000) 9.535 9.055 ( -10.256 -13.968 -0.000) 17.329 9.413 ( 7.629 13.455 0.000) 15.467 10.084 ( -20.942 -22.159 -0.000) 30.489 12.621 ( 24.149 10.045 -0.000) 26.155 13.275 ( -0.903 -27.137 -0.000) 27.152 13.689 ( 5.866 2.675 -0.000) 6.447 14.053 ( -6.999 -16.077 -0.000) 17.535 14.808 ( 14.618 -15.152 -0.000) 21.054 14.892 ( 9.113 -18.379 -0.000) 20.515 19.390 ( 2.140 -2.342 -0.000) 3.173 19.419 ( 1.599 -4.543 -0.000) 4.816 20.852 ( -4.105 54.381 0.000) 54.536 20.987 ( 0.467 14.245 0.000) 14.252 21.299 ( -5.958 0.908 0.000) 6.027 21.739 ( -29.726 5.674 0.000) 30.263 22.327 ( 3.375 2.215 -0.000) 4.037 22.633 ( -21.398 -1.557 0.000) 21.454 24.434 ( 42.194 19.208 -0.000) 46.360 25.566 ( -15.239 -24.330 -0.000) 28.708 25.912 ( 5.490 -7.938 -0.000) 9.651 26.031 ( 4.887 -18.163 -0.000) 18.809 29.699 ( -8.399 17.764 0.000) 19.649 29.720 ( -8.718 15.651 0.000) 17.915 ======================= Grid point 767 (171/175) ======================= q-point: ( 0.42 0.58 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.579 ( -5.412 -0.000 0.000) 5.412 9.191 ( 18.484 0.000 -0.000) 18.484 9.311 ( -13.207 -0.000 0.000) 13.207 10.337 ( 28.338 0.000 -0.000) 28.338 12.335 ( -11.491 -0.000 0.000) 11.491 13.281 ( 32.170 0.000 -0.000) 32.170 13.612 ( -4.082 -0.000 0.000) 4.082 14.125 ( 16.177 0.000 -0.000) 16.177 14.654 ( 11.459 0.000 -0.000) 11.459 14.812 ( 16.742 0.000 -0.000) 16.742 19.367 ( 2.799 0.000 -0.000) 2.799 19.401 ( 4.564 0.000 -0.000) 4.564 20.895 ( -58.049 -0.000 0.000) 58.049 20.978 ( -14.808 -0.000 0.000) 14.808 21.363 ( 0.334 0.000 -0.000) 0.334 21.998 ( 0.125 0.000 -0.000) 0.125 22.295 ( -0.770 -0.000 0.000) 0.770 23.188 ( -10.402 -0.000 0.000) 10.402 23.708 ( -14.886 -0.000 0.000) 14.886 25.770 ( 0.551 0.000 -0.000) 0.551 25.855 ( 42.654 0.000 -0.000) 42.654 25.940 ( 7.604 0.000 -0.000) 7.604 29.788 ( -18.277 -0.000 0.000) 18.277 29.810 ( -16.114 -0.000 0.000) 16.114 ======================= Grid point 773 (172/175) ======================= q-point: ( 0.42 0.42 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.896 ( -0.000 -0.000 58.968) 58.968 7.896 ( -0.000 -0.000 58.968) 58.968 10.382 ( 0.000 0.000 -43.436) 43.436 10.382 ( 0.000 0.000 -43.436) 43.436 10.850 ( -0.000 -0.000 90.795) 90.795 13.336 ( 0.000 0.000 -26.074) 26.074 13.877 ( 0.000 0.000 -11.046) 11.046 13.877 ( 0.000 0.000 -11.046) 11.046 14.185 ( -0.000 -0.000 0.861) 0.861 15.508 ( 0.000 0.000 -66.593) 66.593 19.294 ( -0.000 -0.000 0.655) 0.655 19.294 ( -0.000 -0.000 0.655) 0.655 21.323 ( -0.000 -0.000 0.918) 0.918 21.381 ( 0.000 0.000 -0.935) 0.935 21.843 ( -0.000 -0.000 2.219) 2.219 21.843 ( -0.000 -0.000 2.219) 2.219 23.288 ( -0.000 -0.000 6.639) 6.639 23.594 ( 0.000 0.000 -8.062) 8.062 23.978 ( -0.000 -0.000 10.420) 10.420 23.978 ( -0.000 -0.000 10.420) 10.420 25.761 ( 0.000 0.000 -0.263) 0.263 25.761 ( 0.000 0.000 -0.263) 0.263 29.540 ( -0.000 -0.000 33.552) 33.552 30.744 ( 0.000 0.000 -25.044) 25.044 ======================= Grid point 842 (173/175) ======================= q-point: ( 0.42 0.58 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.790 ( -3.999 -7.780 0.000) 8.748 8.790 ( 7.780 3.999 0.000) 8.748 9.717 ( -9.330 -8.694 0.000) 12.753 9.717 ( 8.694 9.330 0.000) 12.753 12.715 ( 8.419 -13.769 0.000) 16.139 12.715 ( 13.769 -8.419 0.000) 16.139 13.800 ( -5.174 -8.483 -0.000) 9.937 13.800 ( 8.483 5.174 -0.000) 9.937 14.599 ( 7.519 -7.789 0.000) 10.826 14.599 ( 7.789 -7.519 0.000) 10.826 19.346 ( 1.726 -2.445 -0.000) 2.993 19.346 ( 2.445 -1.726 -0.000) 2.993 21.241 ( -9.856 -0.094 0.000) 9.856 21.241 ( 0.094 9.856 0.000) 9.856 21.778 ( -20.874 -0.880 0.000) 20.893 21.778 ( 0.880 20.874 0.000) 20.893 22.632 ( -33.226 2.286 0.000) 33.305 22.632 ( -2.286 33.226 0.000) 33.305 24.769 ( -12.389 -46.127 -0.000) 47.762 24.769 ( 46.127 12.389 -0.000) 47.762 25.826 ( 1.813 -5.901 -0.000) 6.174 25.826 ( 5.901 -1.813 -0.000) 6.174 29.984 ( -9.432 9.430 0.000) 13.337 29.984 ( -9.430 9.432 0.000) 13.337 ======================= Grid point 849 (174/175) ======================= q-point: ( 0.46 0.54 -0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.683 ( -4.130 -0.000 0.000) 4.130 8.860 ( 12.237 0.000 -0.000) 12.237 9.579 ( -11.346 -0.000 0.000) 11.346 9.875 ( 15.836 0.000 -0.000) 15.836 12.461 ( -2.036 -0.000 0.000) 2.036 12.709 ( 21.501 0.000 -0.000) 21.501 13.709 ( -4.504 -0.000 0.000) 4.504 13.858 ( 9.209 0.000 -0.000) 9.209 14.498 ( 4.254 0.000 -0.000) 4.254 14.548 ( 8.725 0.000 -0.000) 8.725 19.319 ( 1.705 0.000 -0.000) 1.705 19.328 ( 2.500 0.000 -0.000) 2.500 21.235 ( -10.123 -0.000 0.000) 10.123 21.356 ( 0.298 0.000 -0.000) 0.298 21.747 ( -17.279 -0.000 0.000) 17.279 21.933 ( 4.985 0.000 -0.000) 4.985 22.647 ( -39.823 -0.000 0.000) 39.823 23.366 ( -6.411 -0.000 0.000) 6.411 23.980 ( -10.081 -0.000 0.000) 10.081 24.904 ( 48.703 0.000 -0.000) 48.703 25.761 ( 0.268 0.000 -0.000) 0.268 25.809 ( 4.752 0.000 -0.000) 4.752 30.082 ( -9.961 -0.000 0.000) 9.961 30.084 ( -9.667 -0.000 0.000) 9.667 ======================= Grid point 931 (175/175) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.729 ( -0.000 -0.000 0.000) 0.000 8.729 ( -0.000 -0.000 0.000) 0.000 9.709 ( -0.000 -0.000 0.000) 0.000 9.709 ( -0.000 -0.000 0.000) 0.000 12.474 ( 0.000 0.000 -62.772) 62.772 12.474 ( -0.000 -0.000 62.772) 62.772 13.762 ( -0.000 -0.000 0.000) 0.000 13.762 ( -0.000 -0.000 0.000) 0.000 14.458 ( 0.000 0.000 -30.469) 30.469 14.458 ( -0.000 -0.000 30.469) 30.469 19.301 ( -0.000 -0.000 0.000) 0.000 19.301 ( -0.000 -0.000 0.000) 0.000 21.353 ( 0.000 0.000 -1.654) 1.654 21.353 ( -0.000 -0.000 1.654) 1.654 21.864 ( -0.000 -0.000 0.000) 0.000 21.864 ( -0.000 -0.000 0.000) 0.000 23.434 ( 0.000 0.000 -7.522) 7.522 23.434 ( -0.000 -0.000 7.522) 7.522 24.088 ( -0.000 -0.000 0.000) 0.000 24.088 ( -0.000 -0.000 0.000) 0.000 25.758 ( -0.000 -0.000 0.000) 0.000 25.758 ( -0.000 -0.000 0.000) 0.000 30.186 ( 0.000 0.000 -29.391) 29.391 30.186 ( -0.000 -0.000 29.391) 29.391 =================== 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 3/41472 10.0 494.285 494.285 247.736 -0.000 -0.000 0.000 3/41472 20.0 6426.379 6426.379 4483.726 -0.000 -0.000 0.000 3/41472 30.0 7753.882 7753.882 7148.766 -0.000 -0.000 0.000 3/41472 40.0 6370.002 6370.002 6669.892 -0.000 -0.000 0.000 3/41472 50.0 4849.626 4849.626 5256.991 -0.000 -0.000 0.000 3/41472 60.0 3679.763 3679.763 4030.744 -0.000 -0.000 0.000 3/41472 70.0 2840.168 2840.168 3140.647 -0.000 -0.000 0.000 3/41472 80.0 2230.783 2230.783 2490.277 -0.000 -0.000 0.000 3/41472 90.0 1775.473 1775.473 1998.081 -0.000 -0.000 0.000 3/41472 100.0 1428.501 1428.501 1618.093 -0.000 -0.000 0.000 3/41472 110.0 1161.984 1161.984 1323.220 -0.000 -0.000 0.000 3/41472 120.0 956.683 956.683 1094.352 -0.000 -0.000 0.000 3/41472 130.0 798.000 798.000 916.404 -0.000 -0.000 0.000 3/41472 140.0 674.607 674.607 777.322 -0.000 -0.000 0.000 3/41472 150.0 577.821 577.821 667.716 -0.000 -0.000 0.000 3/41472 160.0 501.115 501.115 580.460 -0.000 -0.000 0.000 3/41472 170.0 439.633 439.633 510.225 -0.000 -0.000 0.000 3/41472 180.0 389.784 389.784 453.048 -0.000 -0.000 0.000 3/41472 190.0 348.906 348.906 405.985 -0.000 -0.000 0.000 3/41472 200.0 315.018 315.018 366.832 -0.000 -0.000 0.000 3/41472 210.0 286.631 286.631 333.929 -0.000 -0.000 0.000 3/41472 220.0 262.622 262.622 306.017 -0.000 -0.000 0.000 3/41472 230.0 242.128 242.128 282.128 -0.000 -0.000 0.000 3/41472 240.0 224.486 224.486 261.514 -0.000 -0.000 0.000 3/41472 250.0 209.178 209.178 243.589 -0.000 -0.000 0.000 3/41472 260.0 195.799 195.799 227.891 -0.000 -0.000 0.000 3/41472 270.0 184.024 184.024 214.054 -0.000 -0.000 0.000 3/41472 280.0 173.596 173.596 201.781 -0.000 -0.000 0.000 3/41472 290.0 164.306 164.306 190.834 -0.000 -0.000 0.000 3/41472 300.0 155.984 155.984 181.018 -0.000 -0.000 0.000 3/41472 310.0 148.491 148.491 172.172 -0.000 -0.000 0.000 3/41472 320.0 141.712 141.712 164.165 -0.000 -0.000 0.000 3/41472 330.0 135.553 135.553 156.886 -0.000 -0.000 0.000 3/41472 340.0 129.933 129.933 150.241 -0.000 -0.000 0.000 3/41472 350.0 124.785 124.785 144.155 -0.000 -0.000 0.000 3/41472 360.0 120.053 120.053 138.559 -0.000 -0.000 0.000 3/41472 370.0 115.688 115.688 133.398 -0.000 -0.000 0.000 3/41472 380.0 111.649 111.649 128.624 -0.000 -0.000 0.000 3/41472 390.0 107.901 107.901 124.195 -0.000 -0.000 0.000 3/41472 400.0 104.414 104.414 120.074 -0.000 -0.000 0.000 3/41472 410.0 101.160 101.160 116.231 -0.000 -0.000 0.000 3/41472 420.0 98.116 98.116 112.639 -0.000 -0.000 0.000 3/41472 430.0 95.263 95.263 109.274 -0.000 -0.000 0.000 3/41472 440.0 92.583 92.583 106.114 -0.000 -0.000 0.000 3/41472 450.0 90.059 90.059 103.141 -0.000 -0.000 0.000 3/41472 460.0 87.680 87.680 100.340 -0.000 -0.000 0.000 3/41472 470.0 85.431 85.431 97.694 -0.000 -0.000 0.000 3/41472 480.0 83.303 83.303 95.192 -0.000 -0.000 0.000 3/41472 490.0 81.285 81.285 92.822 -0.000 -0.000 0.000 3/41472 500.0 79.369 79.369 90.574 -0.000 -0.000 0.000 3/41472 510.0 77.548 77.548 88.438 -0.000 -0.000 0.000 3/41472 520.0 75.814 75.814 86.406 -0.000 -0.000 0.000 3/41472 530.0 74.160 74.160 84.470 -0.000 -0.000 0.000 3/41472 540.0 72.582 72.582 82.623 -0.000 -0.000 0.000 3/41472 550.0 71.073 71.073 80.860 -0.000 -0.000 0.000 3/41472 560.0 69.630 69.630 79.174 -0.000 -0.000 0.000 3/41472 570.0 68.247 68.247 77.561 -0.000 -0.000 0.000 3/41472 580.0 66.922 66.922 76.016 -0.000 -0.000 0.000 3/41472 590.0 65.650 65.650 74.534 -0.000 -0.000 0.000 3/41472 600.0 64.428 64.428 73.112 -0.000 -0.000 0.000 3/41472 610.0 63.254 63.254 71.745 -0.000 -0.000 0.000 3/41472 620.0 62.123 62.123 70.432 -0.000 -0.000 0.000 3/41472 630.0 61.035 61.035 69.167 -0.000 -0.000 0.000 3/41472 640.0 59.986 59.986 67.950 -0.000 -0.000 0.000 3/41472 650.0 58.974 58.974 66.777 -0.000 -0.000 0.000 3/41472 660.0 57.997 57.997 65.645 -0.000 -0.000 0.000 3/41472 670.0 57.054 57.054 64.553 -0.000 -0.000 0.000 3/41472 680.0 56.143 56.143 63.498 -0.000 -0.000 0.000 3/41472 690.0 55.261 55.261 62.479 -0.000 -0.000 0.000 3/41472 700.0 54.408 54.408 61.493 -0.000 -0.000 0.000 3/41472 710.0 53.582 53.582 60.539 -0.000 -0.000 0.000 3/41472 720.0 52.781 52.781 59.616 -0.000 -0.000 0.000 3/41472 730.0 52.006 52.006 58.721 -0.000 -0.000 0.000 3/41472 740.0 51.253 51.253 57.854 -0.000 -0.000 0.000 3/41472 750.0 50.523 50.523 57.013 -0.000 -0.000 0.000 3/41472 760.0 49.815 49.815 56.197 -0.000 -0.000 0.000 3/41472 770.0 49.126 49.126 55.405 -0.000 -0.000 0.000 3/41472 780.0 48.457 48.457 54.636 -0.000 -0.000 0.000 3/41472 790.0 47.807 47.807 53.889 -0.000 -0.000 0.000 3/41472 800.0 47.175 47.175 53.163 -0.000 -0.000 0.000 3/41472 810.0 46.559 46.559 52.457 -0.000 -0.000 0.000 3/41472 820.0 45.960 45.960 51.770 -0.000 -0.000 0.000 3/41472 830.0 45.377 45.377 51.101 -0.000 -0.000 0.000 3/41472 840.0 44.809 44.809 50.450 -0.000 -0.000 0.000 3/41472 850.0 44.255 44.255 49.816 -0.000 -0.000 0.000 3/41472 860.0 43.715 43.715 49.198 -0.000 -0.000 0.000 3/41472 870.0 43.189 43.189 48.595 -0.000 -0.000 0.000 3/41472 880.0 42.676 42.676 48.008 -0.000 -0.000 0.000 3/41472 890.0 42.175 42.175 47.435 -0.000 -0.000 0.000 3/41472 900.0 41.686 41.686 46.876 -0.000 -0.000 0.000 3/41472 910.0 41.208 41.208 46.331 -0.000 -0.000 0.000 3/41472 920.0 40.742 40.742 45.799 -0.000 -0.000 0.000 3/41472 930.0 40.286 40.286 45.278 -0.000 -0.000 0.000 3/41472 940.0 39.841 39.841 44.770 -0.000 -0.000 0.000 3/41472 950.0 39.405 39.405 44.274 -0.000 -0.000 0.000 3/41472 960.0 38.979 38.979 43.789 -0.000 -0.000 0.000 3/41472 970.0 38.563 38.563 43.314 -0.000 -0.000 0.000 3/41472 980.0 38.156 38.156 42.850 -0.000 -0.000 0.000 3/41472 990.0 37.757 37.757 42.396 -0.000 -0.000 0.000 3/41472 1000.0 37.367 37.367 41.952 -0.000 -0.000 0.000 3/41472 Thermal conductivity related properties were written into "kappa-m61224.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:40:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|