----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:45:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 3] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.179336999763955 0.000000000000000 0.000000000000000 b -3.089668499881978 5.351462820340701 0.000000000000000 c 0.000000000000000 0.000000000000000 5.006613050000000 Atomic positions (fractional): *1 F 0.84699822378327 0.15300177621673 0.21339269590790 18.998 2 F 0.30600355243346 0.15300177621673 0.21339269590790 18.998 3 F 0.84699822378327 0.69399644756654 0.21339269590790 18.998 4 F 0.15300177621673 0.84699822378327 0.78660730409210 18.998 5 F 0.69399644756654 0.84699822378327 0.78660730409210 18.998 6 F 0.15300177621673 0.30600355243346 0.78660730409210 18.998 *7 Cs 0.33333333333333 0.66666666666667 0.29236253870962 132.905 8 Cs 0.66666666666667 0.33333333333333 0.70763746129038 132.905 *9 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.179336999763955 0.000000000000000 0.000000000000000 b -3.089668499881978 5.351462820340701 0.000000000000000 c 0.000000000000000 0.000000000000000 5.006613050000000 Atomic positions (fractional): *1 F 0.84699822378327 0.15300177621673 0.21339269590790 18.998 > 1 2 F 0.30600355243346 0.15300177621673 0.21339269590790 18.998 > 2 3 F 0.84699822378327 0.69399644756654 0.21339269590790 18.998 > 3 4 F 0.15300177621673 0.84699822378327 0.78660730409210 18.998 > 4 5 F 0.69399644756654 0.84699822378327 0.78660730409210 18.998 > 5 6 F 0.15300177621673 0.30600355243346 0.78660730409210 18.998 > 6 *7 Cs 0.33333333333333 0.66666666666667 0.29236253870962 132.905 > 7 8 Cs 0.66666666666667 0.33333333333333 0.70763746129038 132.905 > 8 *9 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 9 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.358673999527911 0.000000000000000 0.000000000000000 b -6.179336999763956 10.702925640681402 0.000000000000000 c 0.000000000000000 0.000000000000000 15.019839150000001 Atomic positions (fractional): *1 F 0.42349911189163 0.07650088810837 0.07113089863597 18.998 > 1 2 F 0.92349911189163 0.07650088810837 0.07113089863597 18.998 > 1 3 F 0.42349911189163 0.57650088810837 0.07113089863597 18.998 > 1 4 F 0.92349911189163 0.57650088810837 0.07113089863597 18.998 > 1 5 F 0.42349911189163 0.07650088810837 0.40446423196930 18.998 > 1 6 F 0.92349911189163 0.07650088810837 0.40446423196930 18.998 > 1 7 F 0.42349911189163 0.57650088810837 0.40446423196930 18.998 > 1 8 F 0.92349911189163 0.57650088810837 0.40446423196930 18.998 > 1 9 F 0.42349911189163 0.07650088810837 0.73779756530263 18.998 > 1 10 F 0.92349911189163 0.07650088810837 0.73779756530263 18.998 > 1 11 F 0.42349911189163 0.57650088810837 0.73779756530263 18.998 > 1 12 F 0.92349911189163 0.57650088810837 0.73779756530263 18.998 > 1 13 F 0.15300177621673 0.07650088810837 0.07113089863597 18.998 > 2 14 F 0.65300177621673 0.07650088810837 0.07113089863597 18.998 > 2 15 F 0.15300177621673 0.57650088810837 0.07113089863597 18.998 > 2 16 F 0.65300177621673 0.57650088810837 0.07113089863597 18.998 > 2 17 F 0.15300177621673 0.07650088810837 0.40446423196930 18.998 > 2 18 F 0.65300177621673 0.07650088810837 0.40446423196930 18.998 > 2 19 F 0.15300177621673 0.57650088810837 0.40446423196930 18.998 > 2 20 F 0.65300177621673 0.57650088810837 0.40446423196930 18.998 > 2 21 F 0.15300177621673 0.07650088810837 0.73779756530263 18.998 > 2 22 F 0.65300177621673 0.07650088810837 0.73779756530263 18.998 > 2 23 F 0.15300177621673 0.57650088810837 0.73779756530263 18.998 > 2 24 F 0.65300177621673 0.57650088810837 0.73779756530263 18.998 > 2 25 F 0.42349911189163 0.34699822378327 0.07113089863597 18.998 > 3 26 F 0.92349911189163 0.34699822378327 0.07113089863597 18.998 > 3 27 F 0.42349911189163 0.84699822378327 0.07113089863597 18.998 > 3 28 F 0.92349911189163 0.84699822378327 0.07113089863597 18.998 > 3 29 F 0.42349911189163 0.34699822378327 0.40446423196930 18.998 > 3 30 F 0.92349911189163 0.34699822378327 0.40446423196930 18.998 > 3 31 F 0.42349911189163 0.84699822378327 0.40446423196930 18.998 > 3 32 F 0.92349911189163 0.84699822378327 0.40446423196930 18.998 > 3 33 F 0.42349911189163 0.34699822378327 0.73779756530263 18.998 > 3 34 F 0.92349911189163 0.34699822378327 0.73779756530263 18.998 > 3 35 F 0.42349911189163 0.84699822378327 0.73779756530263 18.998 > 3 36 F 0.92349911189163 0.84699822378327 0.73779756530263 18.998 > 3 37 F 0.07650088810837 0.42349911189163 0.26220243469737 18.998 > 4 38 F 0.57650088810837 0.42349911189163 0.26220243469737 18.998 > 4 39 F 0.07650088810837 0.92349911189163 0.26220243469737 18.998 > 4 40 F 0.57650088810837 0.92349911189163 0.26220243469737 18.998 > 4 41 F 0.07650088810837 0.42349911189163 0.59553576803070 18.998 > 4 42 F 0.57650088810837 0.42349911189163 0.59553576803070 18.998 > 4 43 F 0.07650088810837 0.92349911189163 0.59553576803070 18.998 > 4 44 F 0.57650088810837 0.92349911189163 0.59553576803070 18.998 > 4 45 F 0.07650088810837 0.42349911189163 0.92886910136403 18.998 > 4 46 F 0.57650088810837 0.42349911189163 0.92886910136403 18.998 > 4 47 F 0.07650088810837 0.92349911189163 0.92886910136403 18.998 > 4 48 F 0.57650088810837 0.92349911189163 0.92886910136403 18.998 > 4 49 F 0.34699822378327 0.42349911189163 0.26220243469737 18.998 > 5 50 F 0.84699822378327 0.42349911189163 0.26220243469737 18.998 > 5 51 F 0.34699822378327 0.92349911189163 0.26220243469737 18.998 > 5 52 F 0.84699822378327 0.92349911189163 0.26220243469737 18.998 > 5 53 F 0.34699822378327 0.42349911189163 0.59553576803070 18.998 > 5 54 F 0.84699822378327 0.42349911189163 0.59553576803070 18.998 > 5 55 F 0.34699822378327 0.92349911189163 0.59553576803070 18.998 > 5 56 F 0.84699822378327 0.92349911189163 0.59553576803070 18.998 > 5 57 F 0.34699822378327 0.42349911189163 0.92886910136403 18.998 > 5 58 F 0.84699822378327 0.42349911189163 0.92886910136403 18.998 > 5 59 F 0.34699822378327 0.92349911189163 0.92886910136403 18.998 > 5 60 F 0.84699822378327 0.92349911189163 0.92886910136403 18.998 > 5 61 F 0.07650088810837 0.15300177621673 0.26220243469737 18.998 > 6 62 F 0.57650088810837 0.15300177621673 0.26220243469737 18.998 > 6 63 F 0.07650088810837 0.65300177621673 0.26220243469737 18.998 > 6 64 F 0.57650088810837 0.65300177621673 0.26220243469737 18.998 > 6 65 F 0.07650088810837 0.15300177621673 0.59553576803070 18.998 > 6 66 F 0.57650088810837 0.15300177621673 0.59553576803070 18.998 > 6 67 F 0.07650088810837 0.65300177621673 0.59553576803070 18.998 > 6 68 F 0.57650088810837 0.65300177621673 0.59553576803070 18.998 > 6 69 F 0.07650088810837 0.15300177621673 0.92886910136403 18.998 > 6 70 F 0.57650088810837 0.15300177621673 0.92886910136403 18.998 > 6 71 F 0.07650088810837 0.65300177621673 0.92886910136403 18.998 > 6 72 F 0.57650088810837 0.65300177621673 0.92886910136403 18.998 > 6 *73 Cs 0.16666666666667 0.33333333333333 0.09745417956987 132.905 > 7 74 Cs 0.66666666666667 0.33333333333333 0.09745417956987 132.905 > 7 75 Cs 0.16666666666667 0.83333333333333 0.09745417956987 132.905 > 7 76 Cs 0.66666666666667 0.83333333333333 0.09745417956987 132.905 > 7 77 Cs 0.16666666666667 0.33333333333333 0.43078751290321 132.905 > 7 78 Cs 0.66666666666667 0.33333333333333 0.43078751290321 132.905 > 7 79 Cs 0.16666666666667 0.83333333333333 0.43078751290321 132.905 > 7 80 Cs 0.66666666666667 0.83333333333333 0.43078751290321 132.905 > 7 81 Cs 0.16666666666667 0.33333333333333 0.76412084623654 132.905 > 7 82 Cs 0.66666666666667 0.33333333333333 0.76412084623654 132.905 > 7 83 Cs 0.16666666666667 0.83333333333333 0.76412084623654 132.905 > 7 84 Cs 0.66666666666667 0.83333333333333 0.76412084623654 132.905 > 7 85 Cs 0.33333333333333 0.16666666666667 0.23587915376346 132.905 > 8 86 Cs 0.83333333333333 0.16666666666667 0.23587915376346 132.905 > 8 87 Cs 0.33333333333333 0.66666666666667 0.23587915376346 132.905 > 8 88 Cs 0.83333333333333 0.66666666666667 0.23587915376346 132.905 > 8 89 Cs 0.33333333333333 0.16666666666667 0.56921248709679 132.905 > 8 90 Cs 0.83333333333333 0.16666666666667 0.56921248709679 132.905 > 8 91 Cs 0.33333333333333 0.66666666666667 0.56921248709679 132.905 > 8 92 Cs 0.83333333333333 0.66666666666667 0.56921248709679 132.905 > 8 93 Cs 0.33333333333333 0.16666666666667 0.90254582043013 132.905 > 8 94 Cs 0.83333333333333 0.16666666666667 0.90254582043013 132.905 > 8 95 Cs 0.33333333333333 0.66666666666667 0.90254582043013 132.905 > 8 96 Cs 0.83333333333333 0.66666666666667 0.90254582043013 132.905 > 8 *97 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 9 98 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 9 99 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 9 100 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 9 101 Pt 0.00000000000000 0.00000000000000 0.33333333333333 195.084 > 9 102 Pt 0.50000000000000 0.00000000000000 0.33333333333333 195.084 > 9 103 Pt 0.00000000000000 0.50000000000000 0.33333333333333 195.084 > 9 104 Pt 0.50000000000000 0.50000000000000 0.33333333333333 195.084 > 9 105 Pt 0.00000000000000 0.00000000000000 0.66666666666667 195.084 > 9 106 Pt 0.50000000000000 0.00000000000000 0.66666666666667 195.084 > 9 107 Pt 0.00000000000000 0.50000000000000 0.66666666666667 195.084 > 9 108 Pt 0.50000000000000 0.50000000000000 0.66666666666667 195.084 > 9 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6318243 -0.0000000 0.0000000 0.0000000 2.6318243 0.0000000 0.0000000 0.0000000 2.5022417 -------------------------- Born effective charges -------------------------- 1 F -1.1249897 0.2841030 0.4411633 0.2841030 -0.7969358 -0.2547057 0.4349171 -0.2510995 -0.8305670 2 F -1.1249897 -0.2841030 -0.4411633 -0.2841030 -0.7969358 -0.2547057 -0.4349171 -0.2510995 -0.8305670 3 F -0.6329088 0.0000000 0.0000000 0.0000000 -1.2890166 0.5094115 -0.0000000 0.5021990 -0.8305670 4 F -1.1249897 0.2841030 0.4411633 0.2841030 -0.7969358 -0.2547057 0.4349171 -0.2510995 -0.8305670 5 F -1.1249897 -0.2841030 -0.4411633 -0.2841030 -0.7969358 -0.2547057 -0.4349171 -0.2510995 -0.8305670 6 F -0.6329088 0.0000000 0.0000000 0.0000000 -1.2890166 0.5094115 -0.0000000 0.5021990 -0.8305670 7 Cs 1.4782621 -0.0000000 0.0000000 -0.0000000 1.4782621 0.0000000 -0.0000000 0.0000000 1.3191014 8 Cs 1.4782621 -0.0000000 0.0000000 -0.0000000 1.4782621 0.0000000 -0.0000000 0.0000000 1.3191014 9 Pt 2.8092522 -0.0000000 0.0000000 -0.0000000 2.8092522 0.0000000 -0.0000000 0.0000000 2.3451992 ---------------------------------------------------------------------------- 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: 324/324 Permutation basis: 4806/4806 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 430 Number of blocks in projector: 293 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 78 Use standard eigh solver. Tree of FC basis block matrices: - (430, 421), data: False |-- (78, 75), data: True |-- (158, 156), data: True |-- (194, 190), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.010 Solver_block: 100 / 160 - Time: 0.316 Solver_block: 160 / 160 - Time: 0.227 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.557 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 324/324 Permutation basis: 4806/4806 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 430 Number of blocks in projector: 293 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 78 Use standard eigh solver. Tree of FC basis block matrices: - (430, 421), data: False |-- (78, 75), data: True |-- (158, 156), data: True |-- (194, 190), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:45:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:45:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 3] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.179336999763955 0.000000000000000 0.000000000000000 b -3.089668499881978 5.351462820340701 0.000000000000000 c 0.000000000000000 0.000000000000000 5.006613050000000 Atomic positions (fractional): 1 F 0.84699822378327 0.15300177621673 0.21339269590790 18.998 2 F 0.30600355243346 0.15300177621673 0.21339269590790 18.998 3 F 0.84699822378327 0.69399644756654 0.21339269590790 18.998 4 F 0.15300177621673 0.84699822378327 0.78660730409210 18.998 5 F 0.69399644756654 0.84699822378327 0.78660730409210 18.998 6 F 0.15300177621673 0.30600355243346 0.78660730409210 18.998 7 Cs 0.33333333333333 0.66666666666667 0.29236253870962 132.905 8 Cs 0.66666666666667 0.33333333333333 0.70763746129038 132.905 9 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.358673999527911 0.000000000000000 0.000000000000000 b -6.179336999763956 10.702925640681402 0.000000000000000 c 0.000000000000000 0.000000000000000 15.019839150000001 Atomic positions (fractional): 1 F 0.42349911189163 0.07650088810837 0.07113089863597 18.998 > 1 2 F 0.92349911189163 0.07650088810837 0.07113089863597 18.998 > 1 3 F 0.42349911189163 0.57650088810837 0.07113089863597 18.998 > 1 4 F 0.92349911189163 0.57650088810837 0.07113089863597 18.998 > 1 5 F 0.42349911189163 0.07650088810837 0.40446423196930 18.998 > 1 6 F 0.92349911189163 0.07650088810837 0.40446423196930 18.998 > 1 7 F 0.42349911189163 0.57650088810837 0.40446423196930 18.998 > 1 8 F 0.92349911189163 0.57650088810837 0.40446423196930 18.998 > 1 9 F 0.42349911189163 0.07650088810837 0.73779756530263 18.998 > 1 10 F 0.92349911189163 0.07650088810837 0.73779756530263 18.998 > 1 11 F 0.42349911189163 0.57650088810837 0.73779756530263 18.998 > 1 12 F 0.92349911189163 0.57650088810837 0.73779756530263 18.998 > 1 13 F 0.15300177621673 0.07650088810837 0.07113089863597 18.998 > 13 14 F 0.65300177621673 0.07650088810837 0.07113089863597 18.998 > 13 15 F 0.15300177621673 0.57650088810837 0.07113089863597 18.998 > 13 16 F 0.65300177621673 0.57650088810837 0.07113089863597 18.998 > 13 17 F 0.15300177621673 0.07650088810837 0.40446423196930 18.998 > 13 18 F 0.65300177621673 0.07650088810837 0.40446423196930 18.998 > 13 19 F 0.15300177621673 0.57650088810837 0.40446423196930 18.998 > 13 20 F 0.65300177621673 0.57650088810837 0.40446423196930 18.998 > 13 21 F 0.15300177621673 0.07650088810837 0.73779756530263 18.998 > 13 22 F 0.65300177621673 0.07650088810837 0.73779756530263 18.998 > 13 23 F 0.15300177621673 0.57650088810837 0.73779756530263 18.998 > 13 24 F 0.65300177621673 0.57650088810837 0.73779756530263 18.998 > 13 25 F 0.42349911189163 0.34699822378327 0.07113089863597 18.998 > 25 26 F 0.92349911189163 0.34699822378327 0.07113089863597 18.998 > 25 27 F 0.42349911189163 0.84699822378327 0.07113089863597 18.998 > 25 28 F 0.92349911189163 0.84699822378327 0.07113089863597 18.998 > 25 29 F 0.42349911189163 0.34699822378327 0.40446423196930 18.998 > 25 30 F 0.92349911189163 0.34699822378327 0.40446423196930 18.998 > 25 31 F 0.42349911189163 0.84699822378327 0.40446423196930 18.998 > 25 32 F 0.92349911189163 0.84699822378327 0.40446423196930 18.998 > 25 33 F 0.42349911189163 0.34699822378327 0.73779756530263 18.998 > 25 34 F 0.92349911189163 0.34699822378327 0.73779756530263 18.998 > 25 35 F 0.42349911189163 0.84699822378327 0.73779756530263 18.998 > 25 36 F 0.92349911189163 0.84699822378327 0.73779756530263 18.998 > 25 37 F 0.07650088810837 0.42349911189163 0.26220243469737 18.998 > 37 38 F 0.57650088810837 0.42349911189163 0.26220243469737 18.998 > 37 39 F 0.07650088810837 0.92349911189163 0.26220243469737 18.998 > 37 40 F 0.57650088810837 0.92349911189163 0.26220243469737 18.998 > 37 41 F 0.07650088810837 0.42349911189163 0.59553576803070 18.998 > 37 42 F 0.57650088810837 0.42349911189163 0.59553576803070 18.998 > 37 43 F 0.07650088810837 0.92349911189163 0.59553576803070 18.998 > 37 44 F 0.57650088810837 0.92349911189163 0.59553576803070 18.998 > 37 45 F 0.07650088810837 0.42349911189163 0.92886910136403 18.998 > 37 46 F 0.57650088810837 0.42349911189163 0.92886910136403 18.998 > 37 47 F 0.07650088810837 0.92349911189163 0.92886910136403 18.998 > 37 48 F 0.57650088810837 0.92349911189163 0.92886910136403 18.998 > 37 49 F 0.34699822378327 0.42349911189163 0.26220243469737 18.998 > 49 50 F 0.84699822378327 0.42349911189163 0.26220243469737 18.998 > 49 51 F 0.34699822378327 0.92349911189163 0.26220243469737 18.998 > 49 52 F 0.84699822378327 0.92349911189163 0.26220243469737 18.998 > 49 53 F 0.34699822378327 0.42349911189163 0.59553576803070 18.998 > 49 54 F 0.84699822378327 0.42349911189163 0.59553576803070 18.998 > 49 55 F 0.34699822378327 0.92349911189163 0.59553576803070 18.998 > 49 56 F 0.84699822378327 0.92349911189163 0.59553576803070 18.998 > 49 57 F 0.34699822378327 0.42349911189163 0.92886910136403 18.998 > 49 58 F 0.84699822378327 0.42349911189163 0.92886910136403 18.998 > 49 59 F 0.34699822378327 0.92349911189163 0.92886910136403 18.998 > 49 60 F 0.84699822378327 0.92349911189163 0.92886910136403 18.998 > 49 61 F 0.07650088810837 0.15300177621673 0.26220243469737 18.998 > 61 62 F 0.57650088810837 0.15300177621673 0.26220243469737 18.998 > 61 63 F 0.07650088810837 0.65300177621673 0.26220243469737 18.998 > 61 64 F 0.57650088810837 0.65300177621673 0.26220243469737 18.998 > 61 65 F 0.07650088810837 0.15300177621673 0.59553576803070 18.998 > 61 66 F 0.57650088810837 0.15300177621673 0.59553576803070 18.998 > 61 67 F 0.07650088810837 0.65300177621673 0.59553576803070 18.998 > 61 68 F 0.57650088810837 0.65300177621673 0.59553576803070 18.998 > 61 69 F 0.07650088810837 0.15300177621673 0.92886910136403 18.998 > 61 70 F 0.57650088810837 0.15300177621673 0.92886910136403 18.998 > 61 71 F 0.07650088810837 0.65300177621673 0.92886910136403 18.998 > 61 72 F 0.57650088810837 0.65300177621673 0.92886910136403 18.998 > 61 73 Cs 0.16666666666667 0.33333333333333 0.09745417956987 132.905 > 73 74 Cs 0.66666666666667 0.33333333333333 0.09745417956987 132.905 > 73 75 Cs 0.16666666666667 0.83333333333333 0.09745417956987 132.905 > 73 76 Cs 0.66666666666667 0.83333333333333 0.09745417956987 132.905 > 73 77 Cs 0.16666666666667 0.33333333333333 0.43078751290321 132.905 > 73 78 Cs 0.66666666666667 0.33333333333333 0.43078751290321 132.905 > 73 79 Cs 0.16666666666667 0.83333333333333 0.43078751290321 132.905 > 73 80 Cs 0.66666666666667 0.83333333333333 0.43078751290321 132.905 > 73 81 Cs 0.16666666666667 0.33333333333333 0.76412084623654 132.905 > 73 82 Cs 0.66666666666667 0.33333333333333 0.76412084623654 132.905 > 73 83 Cs 0.16666666666667 0.83333333333333 0.76412084623654 132.905 > 73 84 Cs 0.66666666666667 0.83333333333333 0.76412084623654 132.905 > 73 85 Cs 0.33333333333333 0.16666666666667 0.23587915376346 132.905 > 85 86 Cs 0.83333333333333 0.16666666666667 0.23587915376346 132.905 > 85 87 Cs 0.33333333333333 0.66666666666667 0.23587915376346 132.905 > 85 88 Cs 0.83333333333333 0.66666666666667 0.23587915376346 132.905 > 85 89 Cs 0.33333333333333 0.16666666666667 0.56921248709679 132.905 > 85 90 Cs 0.83333333333333 0.16666666666667 0.56921248709679 132.905 > 85 91 Cs 0.33333333333333 0.66666666666667 0.56921248709679 132.905 > 85 92 Cs 0.83333333333333 0.66666666666667 0.56921248709679 132.905 > 85 93 Cs 0.33333333333333 0.16666666666667 0.90254582043013 132.905 > 85 94 Cs 0.83333333333333 0.16666666666667 0.90254582043013 132.905 > 85 95 Cs 0.33333333333333 0.66666666666667 0.90254582043013 132.905 > 85 96 Cs 0.83333333333333 0.66666666666667 0.90254582043013 132.905 > 85 97 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 97 98 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 97 99 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 97 100 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 97 101 Pt 0.00000000000000 0.00000000000000 0.33333333333333 195.084 > 97 102 Pt 0.50000000000000 0.00000000000000 0.33333333333333 195.084 > 97 103 Pt 0.00000000000000 0.50000000000000 0.33333333333333 195.084 > 97 104 Pt 0.50000000000000 0.50000000000000 0.33333333333333 195.084 > 97 105 Pt 0.00000000000000 0.00000000000000 0.66666666666667 195.084 > 97 106 Pt 0.50000000000000 0.00000000000000 0.66666666666667 195.084 > 97 107 Pt 0.00000000000000 0.50000000000000 0.66666666666667 195.084 > 97 108 Pt 0.50000000000000 0.50000000000000 0.66666666666667 195.084 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6318243 -0.0000000 0.0000000 0.0000000 2.6318243 0.0000000 0.0000000 0.0000000 2.5022417 -------------------------- Born effective charges -------------------------- 1 F -1.1249897 0.2841030 0.4411633 0.2841030 -0.7969358 -0.2547057 0.4349171 -0.2510995 -0.8305670 2 F -1.1249897 -0.2841030 -0.4411633 -0.2841030 -0.7969358 -0.2547057 -0.4349171 -0.2510995 -0.8305670 3 F -0.6329088 0.0000000 0.0000000 0.0000000 -1.2890166 0.5094115 -0.0000000 0.5021990 -0.8305670 4 F -1.1249897 0.2841030 0.4411633 0.2841030 -0.7969358 -0.2547057 0.4349171 -0.2510995 -0.8305670 5 F -1.1249897 -0.2841030 -0.4411633 -0.2841030 -0.7969358 -0.2547057 -0.4349171 -0.2510995 -0.8305670 6 F -0.6329088 0.0000000 0.0000000 0.0000000 -1.2890166 0.5094115 -0.0000000 0.5021990 -0.8305670 7 Cs 1.4782621 -0.0000000 0.0000000 -0.0000000 1.4782621 0.0000000 -0.0000000 0.0000000 1.3191014 8 Cs 1.4782621 -0.0000000 0.0000000 -0.0000000 1.4782621 0.0000000 -0.0000000 0.0000000 1.3191014 9 Pt 2.8092522 -0.0000000 0.0000000 -0.0000000 2.8092522 0.0000000 -0.0000000 0.0000000 2.3451992 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (xxy) 0.00000002 (xxy) 0.00000002 (xyx) 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 2026-01-07 22:45:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:45:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 3] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.179336999763955 0.000000000000000 0.000000000000000 b -3.089668499881978 5.351462820340701 0.000000000000000 c 0.000000000000000 0.000000000000000 5.006613050000000 Atomic positions (fractional): 1 F 0.84699822378327 0.15300177621673 0.21339269590790 18.998 2 F 0.30600355243346 0.15300177621673 0.21339269590790 18.998 3 F 0.84699822378327 0.69399644756654 0.21339269590790 18.998 4 F 0.15300177621673 0.84699822378327 0.78660730409210 18.998 5 F 0.69399644756654 0.84699822378327 0.78660730409210 18.998 6 F 0.15300177621673 0.30600355243346 0.78660730409210 18.998 7 Cs 0.33333333333333 0.66666666666667 0.29236253870962 132.905 8 Cs 0.66666666666667 0.33333333333333 0.70763746129038 132.905 9 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.358673999527911 0.000000000000000 0.000000000000000 b -6.179336999763956 10.702925640681402 0.000000000000000 c 0.000000000000000 0.000000000000000 15.019839150000001 Atomic positions (fractional): 1 F 0.42349911189163 0.07650088810837 0.07113089863597 18.998 > 1 2 F 0.92349911189163 0.07650088810837 0.07113089863597 18.998 > 1 3 F 0.42349911189163 0.57650088810837 0.07113089863597 18.998 > 1 4 F 0.92349911189163 0.57650088810837 0.07113089863597 18.998 > 1 5 F 0.42349911189163 0.07650088810837 0.40446423196930 18.998 > 1 6 F 0.92349911189163 0.07650088810837 0.40446423196930 18.998 > 1 7 F 0.42349911189163 0.57650088810837 0.40446423196930 18.998 > 1 8 F 0.92349911189163 0.57650088810837 0.40446423196930 18.998 > 1 9 F 0.42349911189163 0.07650088810837 0.73779756530263 18.998 > 1 10 F 0.92349911189163 0.07650088810837 0.73779756530263 18.998 > 1 11 F 0.42349911189163 0.57650088810837 0.73779756530263 18.998 > 1 12 F 0.92349911189163 0.57650088810837 0.73779756530263 18.998 > 1 13 F 0.15300177621673 0.07650088810837 0.07113089863597 18.998 > 13 14 F 0.65300177621673 0.07650088810837 0.07113089863597 18.998 > 13 15 F 0.15300177621673 0.57650088810837 0.07113089863597 18.998 > 13 16 F 0.65300177621673 0.57650088810837 0.07113089863597 18.998 > 13 17 F 0.15300177621673 0.07650088810837 0.40446423196930 18.998 > 13 18 F 0.65300177621673 0.07650088810837 0.40446423196930 18.998 > 13 19 F 0.15300177621673 0.57650088810837 0.40446423196930 18.998 > 13 20 F 0.65300177621673 0.57650088810837 0.40446423196930 18.998 > 13 21 F 0.15300177621673 0.07650088810837 0.73779756530263 18.998 > 13 22 F 0.65300177621673 0.07650088810837 0.73779756530263 18.998 > 13 23 F 0.15300177621673 0.57650088810837 0.73779756530263 18.998 > 13 24 F 0.65300177621673 0.57650088810837 0.73779756530263 18.998 > 13 25 F 0.42349911189163 0.34699822378327 0.07113089863597 18.998 > 25 26 F 0.92349911189163 0.34699822378327 0.07113089863597 18.998 > 25 27 F 0.42349911189163 0.84699822378327 0.07113089863597 18.998 > 25 28 F 0.92349911189163 0.84699822378327 0.07113089863597 18.998 > 25 29 F 0.42349911189163 0.34699822378327 0.40446423196930 18.998 > 25 30 F 0.92349911189163 0.34699822378327 0.40446423196930 18.998 > 25 31 F 0.42349911189163 0.84699822378327 0.40446423196930 18.998 > 25 32 F 0.92349911189163 0.84699822378327 0.40446423196930 18.998 > 25 33 F 0.42349911189163 0.34699822378327 0.73779756530263 18.998 > 25 34 F 0.92349911189163 0.34699822378327 0.73779756530263 18.998 > 25 35 F 0.42349911189163 0.84699822378327 0.73779756530263 18.998 > 25 36 F 0.92349911189163 0.84699822378327 0.73779756530263 18.998 > 25 37 F 0.07650088810837 0.42349911189163 0.26220243469737 18.998 > 37 38 F 0.57650088810837 0.42349911189163 0.26220243469737 18.998 > 37 39 F 0.07650088810837 0.92349911189163 0.26220243469737 18.998 > 37 40 F 0.57650088810837 0.92349911189163 0.26220243469737 18.998 > 37 41 F 0.07650088810837 0.42349911189163 0.59553576803070 18.998 > 37 42 F 0.57650088810837 0.42349911189163 0.59553576803070 18.998 > 37 43 F 0.07650088810837 0.92349911189163 0.59553576803070 18.998 > 37 44 F 0.57650088810837 0.92349911189163 0.59553576803070 18.998 > 37 45 F 0.07650088810837 0.42349911189163 0.92886910136403 18.998 > 37 46 F 0.57650088810837 0.42349911189163 0.92886910136403 18.998 > 37 47 F 0.07650088810837 0.92349911189163 0.92886910136403 18.998 > 37 48 F 0.57650088810837 0.92349911189163 0.92886910136403 18.998 > 37 49 F 0.34699822378327 0.42349911189163 0.26220243469737 18.998 > 49 50 F 0.84699822378327 0.42349911189163 0.26220243469737 18.998 > 49 51 F 0.34699822378327 0.92349911189163 0.26220243469737 18.998 > 49 52 F 0.84699822378327 0.92349911189163 0.26220243469737 18.998 > 49 53 F 0.34699822378327 0.42349911189163 0.59553576803070 18.998 > 49 54 F 0.84699822378327 0.42349911189163 0.59553576803070 18.998 > 49 55 F 0.34699822378327 0.92349911189163 0.59553576803070 18.998 > 49 56 F 0.84699822378327 0.92349911189163 0.59553576803070 18.998 > 49 57 F 0.34699822378327 0.42349911189163 0.92886910136403 18.998 > 49 58 F 0.84699822378327 0.42349911189163 0.92886910136403 18.998 > 49 59 F 0.34699822378327 0.92349911189163 0.92886910136403 18.998 > 49 60 F 0.84699822378327 0.92349911189163 0.92886910136403 18.998 > 49 61 F 0.07650088810837 0.15300177621673 0.26220243469737 18.998 > 61 62 F 0.57650088810837 0.15300177621673 0.26220243469737 18.998 > 61 63 F 0.07650088810837 0.65300177621673 0.26220243469737 18.998 > 61 64 F 0.57650088810837 0.65300177621673 0.26220243469737 18.998 > 61 65 F 0.07650088810837 0.15300177621673 0.59553576803070 18.998 > 61 66 F 0.57650088810837 0.15300177621673 0.59553576803070 18.998 > 61 67 F 0.07650088810837 0.65300177621673 0.59553576803070 18.998 > 61 68 F 0.57650088810837 0.65300177621673 0.59553576803070 18.998 > 61 69 F 0.07650088810837 0.15300177621673 0.92886910136403 18.998 > 61 70 F 0.57650088810837 0.15300177621673 0.92886910136403 18.998 > 61 71 F 0.07650088810837 0.65300177621673 0.92886910136403 18.998 > 61 72 F 0.57650088810837 0.65300177621673 0.92886910136403 18.998 > 61 73 Cs 0.16666666666667 0.33333333333333 0.09745417956987 132.905 > 73 74 Cs 0.66666666666667 0.33333333333333 0.09745417956987 132.905 > 73 75 Cs 0.16666666666667 0.83333333333333 0.09745417956987 132.905 > 73 76 Cs 0.66666666666667 0.83333333333333 0.09745417956987 132.905 > 73 77 Cs 0.16666666666667 0.33333333333333 0.43078751290321 132.905 > 73 78 Cs 0.66666666666667 0.33333333333333 0.43078751290321 132.905 > 73 79 Cs 0.16666666666667 0.83333333333333 0.43078751290321 132.905 > 73 80 Cs 0.66666666666667 0.83333333333333 0.43078751290321 132.905 > 73 81 Cs 0.16666666666667 0.33333333333333 0.76412084623654 132.905 > 73 82 Cs 0.66666666666667 0.33333333333333 0.76412084623654 132.905 > 73 83 Cs 0.16666666666667 0.83333333333333 0.76412084623654 132.905 > 73 84 Cs 0.66666666666667 0.83333333333333 0.76412084623654 132.905 > 73 85 Cs 0.33333333333333 0.16666666666667 0.23587915376346 132.905 > 85 86 Cs 0.83333333333333 0.16666666666667 0.23587915376346 132.905 > 85 87 Cs 0.33333333333333 0.66666666666667 0.23587915376346 132.905 > 85 88 Cs 0.83333333333333 0.66666666666667 0.23587915376346 132.905 > 85 89 Cs 0.33333333333333 0.16666666666667 0.56921248709679 132.905 > 85 90 Cs 0.83333333333333 0.16666666666667 0.56921248709679 132.905 > 85 91 Cs 0.33333333333333 0.66666666666667 0.56921248709679 132.905 > 85 92 Cs 0.83333333333333 0.66666666666667 0.56921248709679 132.905 > 85 93 Cs 0.33333333333333 0.16666666666667 0.90254582043013 132.905 > 85 94 Cs 0.83333333333333 0.16666666666667 0.90254582043013 132.905 > 85 95 Cs 0.33333333333333 0.66666666666667 0.90254582043013 132.905 > 85 96 Cs 0.83333333333333 0.66666666666667 0.90254582043013 132.905 > 85 97 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 97 98 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 97 99 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 97 100 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 97 101 Pt 0.00000000000000 0.00000000000000 0.33333333333333 195.084 > 97 102 Pt 0.50000000000000 0.00000000000000 0.33333333333333 195.084 > 97 103 Pt 0.00000000000000 0.50000000000000 0.33333333333333 195.084 > 97 104 Pt 0.50000000000000 0.50000000000000 0.33333333333333 195.084 > 97 105 Pt 0.00000000000000 0.00000000000000 0.66666666666667 195.084 > 97 106 Pt 0.50000000000000 0.00000000000000 0.66666666666667 195.084 > 97 107 Pt 0.00000000000000 0.50000000000000 0.66666666666667 195.084 > 97 108 Pt 0.50000000000000 0.50000000000000 0.66666666666667 195.084 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6318243 -0.0000000 0.0000000 0.0000000 2.6318243 0.0000000 0.0000000 0.0000000 2.5022417 -------------------------- Born effective charges -------------------------- 1 F -1.1249897 0.2841030 0.4411633 0.2841030 -0.7969358 -0.2547057 0.4349171 -0.2510995 -0.8305670 2 F -1.1249897 -0.2841030 -0.4411633 -0.2841030 -0.7969358 -0.2547057 -0.4349171 -0.2510995 -0.8305670 3 F -0.6329088 0.0000000 0.0000000 0.0000000 -1.2890166 0.5094115 -0.0000000 0.5021990 -0.8305670 4 F -1.1249897 0.2841030 0.4411633 0.2841030 -0.7969358 -0.2547057 0.4349171 -0.2510995 -0.8305670 5 F -1.1249897 -0.2841030 -0.4411633 -0.2841030 -0.7969358 -0.2547057 -0.4349171 -0.2510995 -0.8305670 6 F -0.6329088 0.0000000 0.0000000 0.0000000 -1.2890166 0.5094115 -0.0000000 0.5021990 -0.8305670 7 Cs 1.4782621 -0.0000000 0.0000000 -0.0000000 1.4782621 0.0000000 -0.0000000 0.0000000 1.3191014 8 Cs 1.4782621 -0.0000000 0.0000000 -0.0000000 1.4782621 0.0000000 -0.0000000 0.0000000 1.3191014 9 Pt 2.8092522 -0.0000000 0.0000000 -0.0000000 2.8092522 0.0000000 -0.0000000 0.0000000 2.3451992 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xxy) 0.00000002 (xxy) 0.00000002 (xyx) 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 ... [ 9 9 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.76, Number of G-points: 283, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.625 ( 0.000 0.000 0.000) 0.000 1.695 ( 0.000 0.000 0.000) 0.000 1.983 ( 0.000 0.000 0.000) 0.000 1.983 ( 0.000 0.000 0.000) 0.000 2.292 ( 0.000 0.000 0.000) 0.000 2.292 ( 0.000 0.000 0.000) 0.000 2.494 ( 0.000 0.000 0.000) 0.000 2.494 ( 0.000 0.000 0.000) 0.000 2.902 ( 0.000 0.000 0.000) 0.000 5.805 ( 0.000 0.000 0.000) 0.000 5.813 ( 0.000 0.000 0.000) 0.000 5.813 ( 0.000 0.000 0.000) 0.000 6.829 ( 0.000 0.000 0.000) 0.000 6.829 ( 0.000 0.000 0.000) 0.000 7.257 ( 0.000 0.000 0.000) 0.000 7.427 ( 0.000 0.000 0.000) 0.000 7.936 ( 0.000 0.000 0.000) 0.000 7.936 ( 0.000 0.000 0.000) 0.000 16.598 ( 0.000 0.000 0.000) 0.000 16.598 ( 0.000 0.000 0.000) 0.000 16.714 ( 0.000 0.000 0.000) 0.000 16.736 ( 0.000 0.000 0.000) 0.000 16.736 ( 0.000 0.000 0.000) 0.000 17.146 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.254 ( 10.675 6.163 1.598) 12.430 0.303 ( 12.644 7.300 3.195) 14.946 0.609 ( 24.804 14.321 -2.284) 28.732 1.613 ( -0.967 -0.559 0.189) 1.133 1.649 ( -3.514 -2.029 -2.331) 4.680 1.939 ( -3.517 -2.030 -2.248) 4.641 1.997 ( 0.914 0.528 1.841) 2.123 2.303 ( 0.930 0.537 1.425) 1.784 2.499 ( 0.391 0.226 -0.265) 0.523 2.518 ( 1.875 1.083 0.636) 2.257 2.941 ( 2.952 1.704 0.012) 3.408 3.154 ( -3.519 -2.031 -0.348) 4.078 5.800 ( -1.027 -0.593 0.025) 1.186 5.802 ( -0.215 -0.124 -0.048) 0.253 5.862 ( 3.894 2.248 -0.916) 4.589 6.826 ( -0.223 -0.129 -0.004) 0.258 6.848 ( 0.552 0.319 0.010) 0.638 7.242 ( -1.198 -0.692 0.002) 1.383 7.442 ( 1.203 0.695 0.001) 1.389 7.937 ( 0.146 0.084 -0.174) 0.242 8.146 ( -0.018 -0.011 0.799) 0.799 16.581 ( -1.434 -0.828 -0.646) 1.778 16.592 ( -0.393 -0.227 -0.270) 0.528 16.706 ( -0.549 -0.317 1.952) 2.053 16.741 ( 0.311 0.180 0.139) 0.385 17.143 ( -0.231 -0.133 -0.009) 0.267 17.775 ( -0.624 -0.360 -1.024) 1.252 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( 10.610 6.125 1.579) 12.352 0.605 ( 12.457 7.192 3.257) 14.749 1.172 ( 21.557 12.446 -2.346) 25.002 1.546 ( -4.717 -2.723 -1.639) 5.688 1.582 ( -1.345 -0.777 -0.734) 1.718 1.823 ( -5.983 -3.454 -3.092) 7.568 2.015 ( 0.531 0.306 1.536) 1.654 2.339 ( 2.015 1.163 1.441) 2.737 2.508 ( 0.273 0.158 -0.383) 0.496 2.574 ( 2.577 1.488 1.059) 3.158 3.026 ( 3.803 2.196 0.039) 4.391 3.033 ( -6.532 -3.771 -0.199) 7.545 5.769 ( -1.492 -0.861 0.040) 1.723 5.796 ( -0.294 -0.170 -0.094) 0.352 5.986 ( 6.084 3.513 -1.417) 7.167 6.818 ( -0.394 -0.227 -0.012) 0.455 6.864 ( 0.760 0.439 0.030) 0.878 7.203 ( -1.941 -1.120 -0.047) 2.241 7.480 ( 1.799 1.038 0.004) 2.077 7.942 ( 0.241 0.139 -0.263) 0.383 8.145 ( -0.104 -0.060 1.298) 1.304 16.530 ( -2.694 -1.555 -0.874) 3.231 16.584 ( -0.163 -0.094 -0.396) 0.438 16.696 ( -0.136 -0.078 3.162) 3.165 16.746 ( 0.034 0.020 0.195) 0.199 17.136 ( -0.309 -0.179 -0.059) 0.362 17.753 ( -1.199 -0.692 -1.801) 2.272 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 9.608 5.547 1.500) 11.195 0.895 ( 11.567 6.678 3.241) 13.744 1.425 ( -5.032 -2.905 -1.565) 6.017 1.482 ( 0.122 0.071 -0.367) 0.393 1.661 ( -7.413 -4.280 -3.209) 9.142 1.702 ( 14.586 8.421 -1.778) 16.936 2.030 ( 1.452 0.839 -0.063) 1.678 2.393 ( 2.428 1.402 0.953) 2.961 2.508 ( -0.340 -0.196 -0.387) 0.551 2.629 ( 1.546 0.893 1.477) 2.317 2.849 ( -8.400 -4.850 0.222) 9.702 3.109 ( 2.876 1.660 0.035) 3.321 5.735 ( -1.243 -0.718 0.035) 1.436 5.789 ( -0.224 -0.129 -0.096) 0.276 6.131 ( 5.524 3.189 -1.270) 6.504 6.808 ( -0.386 -0.223 -0.016) 0.446 6.881 ( 0.564 0.325 0.049) 0.653 7.155 ( -1.843 -1.064 -0.105) 2.130 7.522 ( 1.538 0.888 0.005) 1.775 7.948 ( 0.230 0.133 -0.228) 0.349 8.141 ( -0.179 -0.104 1.227) 1.244 16.463 ( -2.588 -1.494 -0.593) 3.047 16.586 ( 0.277 0.160 -0.367) 0.487 16.700 ( 0.332 0.192 2.945) 2.970 16.741 ( -0.393 -0.227 0.192) 0.492 17.130 ( -0.215 -0.124 -0.117) 0.274 17.721 ( -1.333 -0.769 -1.851) 2.407 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 5.622 3.246 0.925) 6.557 1.142 ( 8.051 4.648 2.482) 9.622 1.306 ( -3.993 -2.306 -0.799) 4.680 1.458 ( -0.811 -0.468 -0.122) 0.945 1.482 ( -6.584 -3.801 -2.474) 7.995 1.921 ( 2.301 1.329 0.071) 2.658 2.175 ( 9.766 5.638 -2.278) 11.505 2.449 ( 2.084 1.203 0.565) 2.472 2.490 ( -1.253 -0.723 -0.398) 1.500 2.571 ( -7.306 -4.218 2.287) 8.741 2.714 ( -0.943 -0.544 -0.296) 1.128 3.157 ( 1.046 0.604 0.012) 1.208 5.713 ( -0.476 -0.275 0.014) 0.550 5.786 ( -0.080 -0.046 -0.041) 0.101 6.229 ( 2.249 1.298 -0.509) 2.646 6.802 ( -0.161 -0.093 -0.007) 0.186 6.890 ( 0.189 0.109 0.028) 0.220 7.122 ( -0.776 -0.448 -0.062) 0.899 7.548 ( 0.596 0.344 0.002) 0.688 7.952 ( 0.095 0.055 -0.089) 0.141 8.138 ( -0.097 -0.056 0.509) 0.521 16.417 ( -1.050 -0.606 -0.198) 1.229 16.594 ( 0.252 0.145 -0.162) 0.333 16.707 ( 0.225 0.130 1.232) 1.259 16.731 ( -0.298 -0.172 0.093) 0.357 17.127 ( -0.064 -0.037 -0.068) 0.101 17.696 ( -0.610 -0.352 -0.811) 1.074 ======================= Grid point 10 (6/100) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( 5.723 9.912 0.000) 11.445 0.550 ( 7.852 13.601 0.000) 15.705 1.025 ( 12.991 22.500 0.000) 25.981 1.567 ( -2.992 -5.183 0.000) 5.985 1.590 ( -0.894 -1.548 0.000) 1.787 1.920 ( -1.735 -3.005 0.000) 3.470 1.965 ( -0.349 -0.604 0.000) 0.698 2.330 ( 1.064 1.843 0.000) 2.129 2.487 ( -0.072 -0.125 0.000) 0.144 2.571 ( 1.540 2.668 0.000) 3.081 3.002 ( 2.190 3.794 0.000) 4.381 3.071 ( -3.369 -5.836 0.000) 6.739 5.795 ( -0.228 -0.395 0.000) 0.456 5.808 ( -0.006 -0.010 0.000) 0.011 5.920 ( 2.498 4.327 0.000) 4.997 6.822 ( -0.140 -0.242 0.000) 0.279 6.858 ( 0.371 0.642 0.000) 0.742 7.215 ( -1.056 -1.829 0.000) 2.112 7.469 ( 1.017 1.762 0.000) 2.034 7.943 ( 0.232 0.402 0.000) 0.465 8.145 ( -0.095 -0.165 0.000) 0.190 16.532 ( -1.462 -2.532 0.000) 2.923 16.609 ( 0.177 0.306 0.000) 0.354 16.653 ( -1.573 -2.725 0.000) 3.146 16.786 ( 1.498 2.595 0.000) 2.997 17.138 ( -0.181 -0.313 0.000) 0.361 17.755 ( -0.908 -1.572 0.000) 1.816 ======================= Grid point 11 (7/100) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 8.495 6.905 0.974) 10.990 0.837 ( 8.169 13.395 1.731) 15.784 1.430 ( 6.362 6.215 -1.604) 9.038 1.455 ( -2.115 -4.405 -0.161) 4.889 1.598 ( 5.527 6.524 -0.355) 8.557 1.801 ( -8.213 0.057 -2.969) 8.733 1.982 ( 2.811 -2.656 1.300) 4.080 2.371 ( 1.527 1.385 0.786) 2.206 2.495 ( 0.856 -0.400 -0.318) 0.997 2.620 ( 1.139 1.971 0.645) 2.366 2.919 ( -5.972 -6.916 0.059) 9.138 3.083 ( 2.535 2.962 0.022) 3.899 5.783 ( -1.604 1.084 0.153) 1.942 5.796 ( -1.284 0.850 -0.065) 1.541 6.037 ( 6.253 1.611 -0.876) 6.516 6.816 ( -0.373 0.062 -0.014) 0.378 6.872 ( 0.581 0.276 0.031) 0.644 7.171 ( -1.516 -1.858 -0.049) 2.398 7.509 ( 1.292 1.655 0.001) 2.099 7.953 ( 0.138 0.926 -0.170) 0.952 8.139 ( -0.109 -0.536 0.748) 0.927 16.478 ( -1.581 -2.748 -0.350) 3.189 16.588 ( -1.218 -0.627 -0.631) 1.508 16.628 ( 1.302 -2.971 1.474) 3.563 16.838 ( -0.736 6.006 0.814) 6.105 17.132 ( -0.197 -0.259 -0.067) 0.332 17.713 ( -0.888 -3.253 -1.117) 3.553 ======================= Grid point 12 (8/100) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 8.102 4.128 1.085) 9.158 1.106 ( 6.190 11.973 2.277) 13.669 1.340 ( -3.051 -3.648 -0.987) 4.857 1.448 ( -0.351 -2.918 0.102) 2.941 1.622 ( -10.110 -0.213 -2.630) 10.449 1.904 ( 5.949 9.084 -0.532) 10.872 2.031 ( 8.256 -0.129 -1.192) 8.343 2.413 ( 2.359 -0.452 0.918) 2.571 2.497 ( -0.593 0.114 -0.436) 0.744 2.639 ( -1.729 -0.440 1.606) 2.400 2.735 ( -5.071 -5.396 -0.232) 7.408 3.145 ( 1.523 1.622 0.017) 2.225 5.763 ( -2.809 3.190 0.127) 4.252 5.787 ( -0.265 -0.032 -0.087) 0.281 6.152 ( 5.661 -1.185 -0.730) 5.830 6.811 ( -0.504 0.499 -0.018) 0.710 6.883 ( 0.500 -0.168 0.045) 0.529 7.129 ( -1.033 -1.379 -0.073) 1.724 7.544 ( 0.777 1.131 -0.001) 1.372 7.965 ( -0.308 1.477 -0.180) 1.519 8.131 ( 0.120 -0.943 0.714) 1.189 16.425 ( -1.247 -1.940 -0.278) 2.323 16.577 ( 1.071 -1.369 -0.174) 1.747 16.616 ( 0.833 -3.144 0.858) 3.364 16.881 ( -3.274 9.029 0.971) 9.653 17.127 ( -0.078 -0.141 -0.114) 0.197 17.664 ( 0.481 -4.842 -1.154) 5.001 ======================= Grid point 13 (9/100) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 0.799 -1.384 -0.000) 1.598 1.203 ( -0.468 0.811 -0.000) 0.936 1.364 ( -4.302 7.450 -0.000) 8.603 1.421 ( 1.066 -1.847 0.000) 2.132 1.466 ( -0.875 1.515 0.000) 1.749 1.957 ( -0.976 1.690 -0.000) 1.952 2.208 ( 1.928 -3.340 0.000) 3.856 2.420 ( 1.948 -3.374 -0.000) 3.896 2.493 ( -1.163 2.014 0.000) 2.326 2.545 ( -0.920 1.593 -0.000) 1.840 2.696 ( 0.830 -1.437 0.000) 1.659 3.167 ( -0.201 0.347 0.000) 0.401 5.754 ( -2.309 3.999 -0.000) 4.618 5.785 ( 0.034 -0.060 -0.000) 0.069 6.199 ( 2.288 -3.964 0.000) 4.577 6.809 ( -0.446 0.773 -0.000) 0.892 6.886 ( 0.262 -0.454 0.000) 0.524 7.112 ( 0.303 -0.525 0.000) 0.606 7.557 ( -0.258 0.446 -0.000) 0.515 7.970 ( -0.902 1.563 0.000) 1.805 8.127 ( 0.571 -0.988 -0.000) 1.141 16.402 ( 0.437 -0.757 -0.000) 0.874 16.588 ( 0.382 -0.662 0.000) 0.765 16.599 ( 2.339 -4.051 -0.000) 4.678 16.900 ( -5.606 9.710 -0.000) 11.212 17.126 ( 0.023 -0.040 0.000) 0.046 17.641 ( 2.772 -4.802 -0.000) 5.545 ======================= Grid point 21 (10/100) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 4.328 7.496 0.000) 8.656 1.121 ( 7.608 13.177 0.000) 15.215 1.350 ( -2.298 -3.980 0.000) 4.596 1.428 ( -1.763 -3.054 0.000) 3.527 1.766 ( -2.275 -3.940 0.000) 4.549 1.866 ( 7.701 13.339 0.000) 15.402 1.943 ( 0.045 0.078 0.000) 0.090 2.381 ( -0.182 -0.314 0.000) 0.363 2.506 ( 0.732 1.267 0.000) 1.463 2.645 ( 0.257 0.446 0.000) 0.515 2.759 ( -4.657 -8.067 0.000) 9.315 3.139 ( 1.306 2.261 0.000) 2.611 5.785 ( -0.072 -0.125 0.000) 0.145 5.836 ( 1.044 1.808 0.000) 2.087 6.066 ( 0.789 1.367 0.000) 1.579 6.821 ( 0.204 0.354 0.000) 0.408 6.875 ( 0.002 0.004 0.000) 0.004 7.131 ( -1.038 -1.798 0.000) 2.076 7.543 ( 0.827 1.432 0.000) 1.654 7.979 ( 0.829 1.437 0.000) 1.659 8.123 ( -0.584 -1.011 0.000) 1.167 16.425 ( -1.306 -2.262 0.000) 2.612 16.554 ( -0.807 -1.398 0.000) 1.614 16.599 ( -0.545 -0.943 0.000) 1.089 16.971 ( 3.816 6.609 0.000) 7.631 17.127 ( -0.115 -0.199 0.000) 0.230 17.623 ( -2.965 -5.135 0.000) 5.930 ======================= Grid point 22 (11/100) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 3.396 2.662 0.250) 4.322 1.245 ( -2.434 0.783 -0.112) 2.559 1.371 ( 0.402 -3.755 0.058) 3.777 1.416 ( 6.206 10.202 0.925) 11.977 1.632 ( -10.575 1.622 -1.303) 10.778 1.930 ( 3.202 -5.490 0.234) 6.359 2.131 ( 5.767 7.792 -0.750) 9.723 2.361 ( 0.229 -3.749 0.510) 3.791 2.533 ( -0.071 2.671 -0.212) 2.681 2.598 ( -4.605 -2.738 0.667) 5.399 2.655 ( 1.101 -2.566 -0.271) 2.806 3.172 ( 0.418 0.899 0.003) 0.992 5.783 ( -0.011 -0.079 -0.002) 0.080 5.859 ( -2.610 5.500 0.065) 6.088 6.091 ( 3.436 -4.428 -0.174) 5.608 6.828 ( -0.327 1.101 -0.011) 1.148 6.873 ( 0.301 -0.740 0.018) 0.799 7.103 ( -0.299 -1.000 -0.015) 1.044 7.564 ( 0.207 0.755 -0.001) 0.783 8.006 ( -0.287 2.365 -0.088) 2.384 8.102 ( 0.182 -1.829 0.176) 1.846 16.390 ( -0.338 -1.324 -0.043) 1.368 16.545 ( 0.861 -0.838 0.068) 1.204 16.576 ( -0.356 -1.484 0.030) 1.526 17.089 ( -1.841 10.546 0.462) 10.716 17.125 ( 0.095 0.197 -0.175) 0.280 17.523 ( 0.938 -8.590 -0.324) 8.648 ======================= Grid point 31 (12/100) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -0.000 -0.000 0.000) 0.000 1.288 ( -1.746 -3.024 0.000) 3.491 1.288 ( 1.746 3.024 0.000) 3.491 1.536 ( -0.000 -0.000 0.000) 0.000 1.758 ( -4.865 -8.427 0.000) 9.731 1.758 ( 4.865 8.427 0.000) 9.731 2.269 ( -2.671 -4.627 0.000) 5.343 2.269 ( 2.671 4.627 0.000) 5.343 2.556 ( -0.000 -0.000 0.000) 0.000 2.601 ( -1.351 -2.341 0.000) 2.703 2.601 ( 1.351 2.341 0.000) 2.703 3.181 ( -0.000 -0.000 0.000) 0.000 5.782 ( -0.000 -0.000 0.000) 0.000 5.980 ( -2.931 -5.076 0.000) 5.861 5.980 ( 2.931 5.076 0.000) 5.861 6.853 ( -0.582 -1.008 0.000) 1.164 6.853 ( 0.582 1.008 0.000) 1.164 7.092 ( -0.000 -0.000 0.000) 0.000 7.572 ( -0.000 -0.000 0.000) 0.000 8.057 ( -1.204 -2.085 0.000) 2.407 8.057 ( 1.204 2.085 0.000) 2.407 16.375 ( -0.000 -0.000 0.000) 0.000 16.549 ( -0.489 -0.847 0.000) 0.978 16.549 ( 0.489 0.847 0.000) 0.978 17.123 ( -0.000 -0.000 0.000) 0.000 17.319 ( -5.374 -9.308 0.000) 10.748 17.319 ( 5.374 9.308 0.000) 10.748 ======================= Grid point 91 (13/100) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.255 ( 0.000 0.000 12.689) 12.689 0.255 ( 0.000 0.000 12.689) 12.689 0.450 ( 0.000 0.000 22.040) 22.040 1.642 ( 0.000 0.000 1.719) 1.719 1.957 ( 0.000 0.000 -2.567) 2.567 1.957 ( 0.000 -0.000 -2.567) 2.567 2.294 ( 0.000 0.000 0.172) 0.172 2.294 ( 0.000 0.000 0.172) 0.172 2.504 ( 0.000 0.000 1.025) 1.025 2.504 ( 0.000 0.000 1.025) 1.025 2.638 ( 0.000 0.000 -2.369) 2.369 2.916 ( 0.000 0.000 1.338) 1.338 5.756 ( 0.000 0.000 -4.682) 4.682 5.822 ( 0.000 0.000 0.916) 0.916 5.822 ( 0.000 0.000 0.916) 0.916 6.810 ( 0.000 0.000 -1.860) 1.860 6.810 ( 0.000 0.000 -1.860) 1.860 7.423 ( 0.000 0.000 -0.447) 0.447 7.434 ( 0.000 0.000 2.049) 2.049 7.943 ( 0.000 -0.000 0.669) 0.669 7.943 ( 0.000 0.000 0.669) 0.669 16.598 ( 0.000 0.000 0.045) 0.045 16.598 ( 0.000 0.000 0.045) 0.045 16.727 ( 0.000 0.000 -0.840) 0.840 16.727 ( 0.000 -0.000 -0.840) 0.840 17.145 ( 0.000 0.000 -0.134) 0.134 17.605 ( 0.000 0.000 -1.362) 1.362 ======================= Grid point 92 (14/100) ======================= q-point: ( 0.11 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( 8.985 5.187 8.824) 13.620 0.441 ( 10.473 6.047 9.369) 15.298 0.698 ( 17.942 10.359 10.995) 23.454 1.612 ( -2.162 -1.248 1.511) 2.918 1.843 ( -12.534 -7.237 10.936) 18.140 1.879 ( -4.256 -2.457 -3.719) 6.163 2.031 ( 1.130 0.653 2.061) 2.439 2.326 ( 1.249 0.721 0.843) 1.671 2.503 ( 0.113 0.065 0.694) 0.706 2.538 ( 2.277 1.314 1.265) 2.917 2.929 ( 5.119 2.956 -14.954) 16.080 2.955 ( 2.951 1.704 1.312) 3.652 5.732 ( -1.144 -0.660 -5.626) 5.779 5.810 ( -1.003 -0.579 0.948) 1.497 5.863 ( 3.316 1.914 0.891) 3.931 6.807 ( -0.231 -0.133 -1.865) 1.884 6.822 ( 0.754 0.435 -2.190) 2.357 7.339 ( -3.743 -2.161 6.295) 7.636 7.438 ( 1.193 0.689 -0.461) 1.453 7.941 ( 0.030 0.017 0.523) 0.524 8.082 ( 5.083 2.935 -3.812) 6.998 16.582 ( -1.355 -0.782 0.557) 1.661 16.588 ( -0.527 -0.305 -0.145) 0.626 16.734 ( 0.359 0.207 -0.759) 0.865 16.764 ( 1.468 0.847 1.777) 2.456 17.147 ( -0.060 -0.035 0.143) 0.159 17.628 ( 0.293 0.169 -8.122) 8.129 ======================= Grid point 93 (15/100) ======================= q-point: ( 0.22 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 9.424 5.441 7.722) 13.343 0.711 ( 11.599 6.697 6.944) 15.087 1.163 ( 18.783 10.844 1.751) 21.759 1.538 ( -3.978 -2.297 1.727) 4.907 1.654 ( -3.969 -2.291 5.763) 7.363 1.757 ( -5.880 -3.395 -3.539) 7.656 2.051 ( 0.025 0.015 2.120) 2.120 2.360 ( 1.676 0.968 0.651) 2.042 2.507 ( 0.082 0.047 0.295) 0.310 2.602 ( 2.795 1.614 1.533) 3.573 2.925 ( -3.620 -2.090 -9.416) 10.302 3.040 ( 3.832 2.212 1.318) 4.617 5.712 ( -0.592 -0.342 -7.253) 7.285 5.779 ( -1.480 -0.854 0.980) 1.969 5.975 ( 5.671 3.274 0.356) 6.558 6.799 ( -0.402 -0.232 -1.878) 1.934 6.842 ( 0.876 0.506 -2.128) 2.356 7.268 ( -2.591 -1.496 5.451) 6.218 7.475 ( 1.784 1.030 -0.493) 2.118 7.944 ( 0.211 0.122 0.437) 0.500 8.154 ( 1.580 0.912 -0.219) 1.837 16.539 ( -2.210 -1.276 1.403) 2.913 16.578 ( -0.188 -0.109 -0.200) 0.295 16.740 ( 0.040 0.023 -0.764) 0.765 16.780 ( 0.040 0.023 4.392) 4.392 17.140 ( -0.456 -0.263 0.393) 0.657 17.617 ( -0.897 -0.518 -10.306) 10.358 ======================= Grid point 94 (16/100) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 8.999 5.196 6.398) 12.203 0.983 ( 10.788 6.228 5.345) 13.555 1.398 ( -3.148 -1.817 -0.733) 3.708 1.489 ( 0.236 0.136 0.969) 1.007 1.602 ( -6.846 -3.953 -2.625) 8.330 1.717 ( 12.047 6.955 2.655) 14.161 2.039 ( -0.545 -0.315 1.169) 1.328 2.406 ( 2.037 1.176 0.131) 2.356 2.503 ( -0.446 -0.258 0.022) 0.516 2.662 ( 2.019 1.166 1.739) 2.908 2.796 ( -6.766 -3.907 -5.258) 9.418 3.124 ( 2.916 1.684 1.406) 3.649 5.701 ( -0.279 -0.161 -7.935) 7.941 5.745 ( -1.250 -0.722 0.991) 1.751 6.115 ( 5.596 3.231 -0.116) 6.463 6.789 ( -0.386 -0.223 -1.886) 1.938 6.861 ( 0.692 0.399 -1.943) 2.101 7.211 ( -2.086 -1.204 4.953) 5.508 7.516 ( 1.523 0.879 -0.530) 1.836 7.950 ( 0.295 0.170 0.446) 0.561 8.173 ( 0.198 0.114 1.819) 1.833 16.485 ( -2.079 -1.200 2.419) 3.408 16.580 ( 0.349 0.202 -0.180) 0.442 16.735 ( -0.411 -0.237 -0.767) 0.902 16.770 ( -0.903 -0.521 3.837) 3.976 17.129 ( -0.407 -0.235 0.004) 0.470 17.599 ( -0.360 -0.208 -9.733) 9.742 ======================= Grid point 95 (17/100) ======================= q-point: ( 0.44 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 4.550 2.627 5.582) 7.666 1.191 ( 4.305 2.485 2.036) 5.372 1.297 ( -3.128 -1.806 0.029) 3.611 1.460 ( -2.863 -1.653 0.550) 3.352 1.466 ( -0.785 -0.453 0.865) 1.253 1.953 ( 2.385 1.377 2.975) 4.055 2.113 ( 9.254 5.343 -3.636) 11.287 2.450 ( 1.295 0.748 -0.996) 1.797 2.485 ( -0.824 -0.476 0.492) 1.071 2.593 ( -8.260 -4.769 -0.651) 9.560 2.710 ( 0.571 0.330 0.302) 0.725 3.173 ( 1.061 0.613 1.502) 1.938 5.698 ( -0.034 -0.020 -8.110) 8.111 5.723 ( -0.496 -0.286 0.979) 1.135 6.221 ( 2.820 1.628 -0.094) 3.257 6.782 ( -0.151 -0.087 -1.882) 1.890 6.873 ( 0.253 0.146 -1.724) 1.749 7.174 ( -0.801 -0.462 4.735) 4.825 7.542 ( 0.587 0.339 -0.556) 0.877 7.957 ( 0.224 0.130 0.542) 0.601 8.168 ( -0.577 -0.333 2.333) 2.427 16.450 ( -0.636 -0.367 3.236) 3.318 16.592 ( 0.471 0.272 -0.049) 0.546 16.724 ( -0.414 -0.239 -0.812) 0.942 16.736 ( -1.867 -1.078 1.489) 2.621 17.123 ( -0.027 -0.016 -0.237) 0.239 17.605 ( 0.833 0.481 -7.983) 8.041 ======================= Grid point 96 (18/100) ======================= q-point: (-0.44 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -6.656 -3.843 3.355) 8.386 1.101 ( -8.781 -5.069 -1.497) 10.249 1.331 ( 4.796 2.769 1.859) 5.842 1.472 ( 1.310 0.756 1.213) 1.939 1.551 ( 7.443 4.297 4.292) 9.607 1.948 ( -1.905 -1.100 2.583) 3.393 2.195 ( -7.051 -4.071 -0.375) 8.151 2.429 ( -2.278 -1.315 -1.747) 3.157 2.499 ( 1.149 0.663 0.759) 1.529 2.517 ( 5.206 3.006 -3.087) 6.758 2.716 ( 0.233 0.135 0.052) 0.274 3.173 ( -1.087 -0.628 1.502) 1.957 5.699 ( 0.163 0.094 -8.042) 8.044 5.722 ( 0.453 0.262 0.954) 1.088 6.238 ( -1.469 -0.848 0.482) 1.764 6.783 ( 0.172 0.099 -1.871) 1.881 6.873 ( -0.277 -0.160 -1.690) 1.720 7.176 ( 0.939 0.542 4.780) 4.902 7.542 ( -0.595 -0.343 -0.561) 0.887 7.960 ( 0.042 0.024 0.686) 0.688 8.150 ( -0.825 -0.476 1.674) 1.926 16.459 ( 1.356 0.783 3.756) 4.069 16.598 ( -0.000 -0.000 0.228) 0.228 16.689 ( -1.797 -1.037 -0.627) 2.168 16.720 ( 0.151 0.087 -0.976) 0.991 17.126 ( 0.213 0.123 -0.108) 0.269 17.635 ( 1.495 0.863 -6.721) 6.939 ======================= Grid point 97 (19/100) ======================= q-point: (-0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -8.976 -5.182 3.857) 11.059 0.859 ( -10.927 -6.309 -0.336) 12.622 1.446 ( 3.834 2.214 0.449) 4.450 1.517 ( 1.181 0.682 3.235) 3.511 1.730 ( 7.087 4.092 3.727) 8.992 1.783 ( -11.549 -6.668 5.667) 14.489 2.034 ( -3.062 -1.768 0.208) 3.542 2.365 ( -2.846 -1.643 -2.055) 3.876 2.519 ( 0.450 0.260 0.712) 0.881 2.606 ( -0.326 -0.188 -1.001) 1.069 2.790 ( 6.422 3.708 -5.095) 8.998 3.123 ( -2.942 -1.699 1.396) 3.673 5.705 ( 0.329 0.190 -7.787) 7.796 5.743 ( 1.228 0.709 0.927) 1.694 6.157 ( -5.022 -2.900 1.196) 5.921 6.790 ( 0.389 0.224 -1.862) 1.915 6.860 ( -0.696 -0.402 -1.896) 2.059 7.214 ( 2.096 1.210 5.091) 5.637 7.516 ( -1.524 -0.880 -0.542) 1.842 7.959 ( -0.147 -0.085 0.814) 0.831 8.131 ( -0.756 -0.436 0.287) 0.919 16.508 ( 2.520 1.455 3.540) 4.582 16.594 ( -0.176 -0.101 0.445) 0.489 16.661 ( -0.349 -0.202 -0.772) 0.871 16.728 ( 0.349 0.201 -1.103) 1.175 17.133 ( 0.315 0.182 0.116) 0.382 17.667 ( 1.065 0.615 -6.844) 6.954 ======================= Grid point 98 (20/100) ======================= q-point: (-0.22 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( -8.589 -4.959 6.783) 12.015 0.591 ( -11.135 -6.429 1.927) 13.001 1.252 ( -19.186 -11.077 5.379) 22.798 1.544 ( 2.863 1.653 0.236) 3.314 1.724 ( 5.298 3.059 9.677) 11.449 1.880 ( 5.219 3.013 2.594) 6.561 1.986 ( -1.718 -0.992 -1.394) 2.425 2.301 ( -2.232 -1.288 -2.350) 3.487 2.521 ( -0.181 -0.104 0.910) 0.934 2.564 ( -2.266 -1.309 0.097) 2.619 2.933 ( 4.329 2.499 -8.921) 10.226 3.039 ( -3.817 -2.204 1.296) 4.594 5.715 ( 0.520 0.300 -7.197) 7.222 5.777 ( 1.489 0.859 0.909) 1.944 6.017 ( -6.201 -3.580 1.424) 7.300 6.800 ( 0.390 0.225 -1.861) 1.915 6.841 ( -0.865 -0.500 -2.113) 2.337 7.271 ( 2.538 1.465 5.632) 6.349 7.475 ( -1.779 -1.027 -0.502) 2.114 7.954 ( -0.255 -0.147 0.863) 0.911 8.111 ( -1.065 -0.615 -1.585) 2.007 16.561 ( 1.598 0.923 1.294) 2.254 16.593 ( 0.112 0.065 0.472) 0.490 16.680 ( 1.920 1.109 1.889) 2.913 16.733 ( -0.000 -0.000 -1.106) 1.106 17.141 ( 0.337 0.195 0.268) 0.472 17.679 ( -0.198 -0.114 -8.034) 8.037 ======================= Grid point 99 (21/100) ======================= q-point: (-0.11 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( -8.709 -5.028 6.639) 12.050 0.387 ( -6.095 -3.519 11.676) 13.633 0.756 ( -20.438 -11.800 11.289) 26.160 1.607 ( 2.365 1.366 0.886) 2.871 1.903 ( 7.720 4.457 10.100) 13.471 1.963 ( 2.946 1.701 1.508) 3.721 1.966 ( 1.605 0.927 0.260) 1.872 2.272 ( 0.012 0.007 -1.509) 1.509 2.513 ( -0.425 -0.245 1.071) 1.178 2.517 ( -1.443 -0.833 0.526) 1.747 2.943 ( -5.409 -3.123 -14.258) 15.566 2.954 ( -2.915 -1.683 1.303) 3.609 5.732 ( 0.986 0.569 -5.771) 5.882 5.809 ( 1.038 0.599 0.903) 1.500 5.882 ( -4.556 -2.630 1.019) 5.358 6.807 ( 0.221 0.127 -1.862) 1.879 6.821 ( -0.740 -0.427 -2.187) 2.348 7.341 ( 3.685 2.127 6.389) 7.676 7.437 ( -1.189 -0.687 -0.463) 1.449 7.948 ( -0.253 -0.146 0.805) 0.856 8.061 ( -3.880 -2.240 -4.166) 6.117 16.586 ( 0.655 0.378 -0.156) 0.772 16.598 ( 0.204 0.118 0.315) 0.394 16.729 ( -0.165 -0.095 -0.921) 0.941 16.729 ( 1.372 0.792 2.143) 2.665 17.147 ( 0.089 0.051 0.107) 0.148 17.652 ( -2.132 -1.231 -8.013) 8.383 ======================= Grid point 101 (22/100) ======================= q-point: ( 0.11 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 6.266 6.730 9.191) 13.001 0.591 ( 11.151 10.289 3.905) 15.667 1.081 ( 8.272 21.525 5.481) 23.702 1.563 ( -1.771 -3.112 0.775) 3.663 1.706 ( -6.507 -5.671 8.158) 11.877 1.884 ( -7.220 1.927 -2.670) 7.936 1.998 ( 3.747 -3.624 2.453) 5.761 2.326 ( 3.320 0.497 -0.455) 3.387 2.497 ( -0.452 0.163 0.993) 1.103 2.578 ( 2.509 1.953 0.613) 3.238 2.949 ( -1.928 -2.294 -10.446) 10.867 3.015 ( 2.231 3.779 1.295) 4.576 5.715 ( -0.529 -0.671 -6.892) 6.945 5.811 ( 0.238 -0.242 0.533) 0.632 5.936 ( 0.877 5.205 1.325) 5.442 6.803 ( -0.154 -0.230 -1.863) 1.884 6.835 ( 0.454 0.738 -2.162) 2.329 7.286 ( -1.656 -2.655 5.748) 6.544 7.464 ( 1.007 1.737 -0.493) 2.068 7.949 ( -0.113 0.626 0.647) 0.907 8.122 ( 2.381 0.864 -1.647) 3.021 16.545 ( -1.638 -1.861 0.937) 2.650 16.602 ( -0.861 0.634 -0.235) 1.095 16.692 ( 0.363 -3.672 2.452) 4.430 16.784 ( 2.979 1.304 0.074) 3.253 17.143 ( -0.184 -0.331 0.343) 0.510 17.646 ( -2.263 0.658 -9.068) 9.369 ======================= Grid point 102 (23/100) ======================= q-point: ( 0.22 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 8.424 5.451 7.021) 12.246 0.897 ( 10.241 10.982 4.038) 15.549 1.396 ( 3.351 5.875 -0.653) 6.795 1.479 ( -1.696 -2.716 1.811) 3.679 1.645 ( 3.917 5.325 4.108) 7.783 1.751 ( -9.413 1.571 -2.010) 9.752 2.013 ( 1.831 -3.090 2.051) 4.136 2.381 ( 2.113 0.769 0.149) 2.253 2.498 ( 0.262 -0.018 0.678) 0.727 2.637 ( 2.129 1.322 1.014) 2.703 2.847 ( -4.453 -5.427 -6.734) 9.728 3.097 ( 2.588 2.988 1.370) 4.184 5.703 ( -0.265 -0.337 -7.719) 7.731 5.798 ( -2.509 2.061 0.732) 3.329 6.033 ( 5.109 2.334 0.577) 5.647 6.797 ( -0.395 0.073 -1.872) 1.914 6.851 ( 0.692 0.338 -2.039) 2.180 7.229 ( -1.821 -2.090 5.123) 5.825 7.504 ( 1.286 1.623 -0.537) 2.139 7.957 ( -0.041 1.152 0.586) 1.293 8.156 ( 1.311 -0.573 0.880) 1.679 16.497 ( -1.436 -2.138 1.924) 3.215 16.584 ( -0.942 -0.065 0.096) 0.949 16.666 ( 1.082 -4.268 2.056) 4.859 16.848 ( 0.521 4.516 0.329) 4.558 17.134 ( -0.420 -0.315 0.244) 0.579 17.601 ( -1.788 -1.472 -9.265) 9.550 ======================= Grid point 103 (24/100) ======================= q-point: ( 0.33 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 7.923 3.268 5.859) 10.382 1.168 ( 6.005 10.271 3.670) 12.451 1.332 ( -2.866 -2.695 0.154) 3.937 1.455 ( 0.038 -2.778 0.520) 2.826 1.583 ( -10.296 0.695 -1.260) 10.396 1.917 ( 9.191 10.903 1.256) 14.316 2.011 ( 2.626 -2.446 -0.171) 3.593 2.421 ( 2.059 -0.504 -0.233) 2.132 2.498 ( -0.648 0.619 0.608) 1.083 2.669 ( -2.482 -1.923 0.721) 3.222 2.697 ( -2.437 -3.945 -2.886) 5.462 3.160 ( 1.553 1.657 1.481) 2.711 5.698 ( -0.069 -0.100 -8.030) 8.031 5.774 ( -3.005 3.240 0.872) 4.504 6.144 ( 5.537 -0.635 0.079) 5.574 6.792 ( -0.506 0.494 -1.888) 2.016 6.864 ( 0.614 -0.144 -1.855) 1.959 7.182 ( -1.166 -1.436 4.818) 5.161 7.538 ( 0.780 1.101 -0.570) 1.465 7.970 ( -0.317 1.687 0.643) 1.833 8.160 ( 0.394 -1.276 2.088) 2.478 16.454 ( -0.963 -1.550 2.904) 3.430 16.577 ( 0.699 -0.730 0.173) 1.025 16.637 ( 0.684 -4.286 1.199) 4.503 16.888 ( -3.310 7.633 -0.228) 8.323 17.124 ( -0.224 -0.178 -0.146) 0.321 17.565 ( 0.939 -3.389 -8.300) 9.014 ======================= Grid point 104 (25/100) ======================= q-point: ( 0.44 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -1.014 -2.436 4.359) 5.095 1.213 ( -1.353 1.411 1.016) 2.203 1.347 ( -6.500 4.137 -1.214) 7.800 1.432 ( 0.408 -2.337 1.040) 2.590 1.506 ( 4.967 5.677 3.587) 8.353 1.976 ( -0.998 0.272 1.748) 2.031 2.178 ( 5.300 0.032 -2.461) 5.844 2.417 ( -0.397 -3.778 -0.489) 3.830 2.506 ( 0.323 2.590 0.619) 2.682 2.526 ( -3.779 -0.703 -1.570) 4.152 2.701 ( 0.930 -1.213 0.591) 1.639 3.183 ( -0.221 0.360 1.536) 1.593 5.697 ( 0.057 -0.019 -8.074) 8.074 5.763 ( -2.314 3.881 0.872) 4.602 6.200 ( 2.806 -3.501 0.264) 4.494 6.790 ( -0.422 0.769 -1.891) 2.084 6.869 ( 0.274 -0.524 -1.733) 1.831 7.164 ( 0.361 -0.487 4.729) 4.767 7.551 ( -0.246 0.427 -0.584) 0.764 7.978 ( -0.822 1.836 0.790) 2.161 8.148 ( -0.022 -1.427 2.055) 2.502 16.439 ( 0.726 -0.607 3.523) 3.648 16.589 ( 1.026 -0.486 0.109) 1.141 16.605 ( 0.943 -4.283 0.499) 4.414 16.884 ( -6.243 8.441 -1.540) 10.612 17.123 ( 0.161 0.032 -0.205) 0.262 17.570 ( 3.667 -3.788 -6.824) 8.624 ======================= Grid point 106 (26/100) ======================= q-point: (-0.44 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -7.799 -4.064 3.570) 9.492 1.081 ( -14.010 1.976 -0.364) 14.153 1.372 ( 5.559 1.036 2.131) 6.043 1.454 ( 3.348 -1.812 0.761) 3.882 1.686 ( 5.138 7.158 3.752) 9.577 1.938 ( -6.083 0.271 2.468) 6.570 2.047 ( -6.685 -9.093 0.532) 11.298 2.389 ( -0.883 -1.737 -1.440) 2.423 2.514 ( 0.085 0.783 1.123) 1.372 2.599 ( 3.285 3.276 -2.953) 5.499 2.715 ( 3.452 0.016 -1.532) 3.776 3.160 ( -2.238 -0.511 1.478) 2.730 5.699 ( 0.210 -0.041 -7.891) 7.893 5.772 ( -1.316 4.020 0.704) 4.288 6.168 ( -1.145 -5.359 0.892) 5.552 6.792 ( -0.166 0.696 -1.869) 2.001 6.863 ( -0.191 -0.619 -1.827) 1.938 7.185 ( 1.917 0.238 4.878) 5.247 7.538 ( -1.350 -0.117 -0.575) 1.472 7.976 ( -1.146 1.192 0.939) 1.902 8.135 ( -0.133 -0.650 1.145) 1.323 16.466 ( 2.420 -0.178 3.570) 4.317 16.586 ( 1.120 -1.844 0.706) 2.270 16.605 ( 1.264 -1.250 -0.274) 1.799 16.850 ( -6.084 6.897 -2.054) 9.424 17.128 ( 0.282 0.091 0.014) 0.297 17.608 ( 4.074 -3.005 -6.475) 8.219 ======================= Grid point 107 (27/100) ======================= q-point: (-0.33 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -9.287 -1.765 5.682) 11.029 0.832 ( -15.361 2.074 1.093) 15.539 1.447 ( -6.379 -3.347 0.832) 7.252 1.485 ( 5.008 -0.766 2.340) 5.581 1.666 ( -5.986 -2.879 5.474) 8.607 1.872 ( 3.096 4.404 4.123) 6.781 1.955 ( 0.247 -3.954 -1.465) 4.224 2.351 ( -2.371 0.704 -1.210) 2.753 2.510 ( -0.240 -1.007 1.175) 1.565 2.613 ( -2.067 1.005 -0.133) 2.302 2.845 ( 7.279 1.373 -6.712) 9.996 3.097 ( -3.900 -0.697 1.360) 4.189 5.705 ( 0.481 -0.102 -7.595) 7.611 5.794 ( -0.498 3.179 0.554) 3.265 6.061 ( -4.139 -5.180 1.396) 6.776 6.798 ( 0.127 0.350 -1.856) 1.893 6.850 ( -0.629 -0.396 -2.024) 2.156 7.231 ( 2.735 0.366 5.209) 5.895 7.504 ( -2.053 -0.294 -0.542) 2.143 7.964 ( -0.932 0.161 0.874) 1.288 8.130 ( -0.569 0.645 -0.048) 0.862 16.508 ( 2.669 -0.945 2.149) 3.554 16.609 ( 0.089 -0.127 -0.183) 0.240 16.617 ( 3.258 0.140 2.083) 3.870 16.814 ( -4.356 4.373 -1.427) 6.335 17.135 ( 0.391 0.057 0.232) 0.458 17.642 ( 2.607 -2.461 -7.577) 8.382 ======================= Grid point 112 (28/100) ======================= q-point: ( 0.22 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 5.135 6.254 5.186) 9.611 1.140 ( 10.040 11.741 1.662) 15.538 1.367 ( -4.122 -3.574 1.828) 5.753 1.429 ( -1.350 -3.021 0.016) 3.309 1.767 ( -4.996 -0.976 0.386) 5.105 1.877 ( 2.310 9.252 0.114) 9.537 1.962 ( 3.270 2.028 2.574) 4.629 2.380 ( 0.904 -0.752 -0.154) 1.186 2.517 ( 0.134 1.431 0.917) 1.705 2.646 ( 1.557 -0.858 -0.155) 1.784 2.716 ( -3.974 -6.188 -3.767) 8.263 3.154 ( 1.353 2.313 1.474) 3.058 5.698 ( -0.121 -0.126 -7.973) 7.975 5.841 ( 1.335 1.691 0.534) 2.219 6.075 ( -0.186 1.680 0.894) 1.912 6.802 ( 0.171 0.361 -1.863) 1.906 6.855 ( 0.073 0.044 -1.945) 1.947 7.186 ( -1.188 -1.920 4.896) 5.391 7.537 ( 0.813 1.413 -0.589) 1.734 7.989 ( 0.633 1.747 0.991) 2.106 8.136 ( 0.396 -1.114 1.329) 1.779 16.457 ( -1.433 -1.742 2.900) 3.674 16.564 ( -0.819 -1.495 0.930) 1.942 16.605 ( -0.098 -1.561 0.655) 1.695 16.951 ( 4.764 5.285 -1.902) 7.365 17.128 ( -0.302 -0.192 0.102) 0.372 17.547 ( -3.915 -3.648 -7.187) 8.960 ======================= Grid point 113 (29/100) ======================= q-point: ( 0.33 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 3.402 1.854 4.766) 6.142 1.259 ( -2.971 0.500 1.419) 3.330 1.378 ( 0.337 -3.313 0.566) 3.378 1.446 ( 8.179 9.921 2.017) 13.015 1.610 ( -11.703 2.264 -0.723) 11.942 1.920 ( 3.602 -6.643 -1.048) 7.629 2.131 ( 4.019 9.046 0.840) 9.934 2.372 ( 0.573 -3.747 0.440) 3.816 2.530 ( -0.588 1.102 -0.879) 1.528 2.587 ( -3.712 -2.143 -1.097) 4.425 2.661 ( 1.263 -1.746 0.964) 2.360 3.188 ( 0.429 0.930 1.562) 1.868 5.697 ( -0.007 -0.038 -8.041) 8.041 5.867 ( -2.544 5.366 0.706) 5.980 6.092 ( 3.306 -4.092 0.440) 5.279 6.809 ( -0.344 1.100 -1.902) 2.224 6.855 ( 0.361 -0.777 -1.863) 2.050 7.156 ( -0.340 -1.011 4.755) 4.873 7.558 ( 0.209 0.741 -0.615) 0.985 8.017 ( -0.350 2.703 1.123) 2.948 8.124 ( 0.327 -2.160 1.915) 2.905 16.425 ( -0.272 -1.139 3.398) 3.594 16.553 ( 0.759 -0.930 0.692) 1.386 16.581 ( -0.385 -1.634 0.443) 1.736 17.068 ( -1.662 9.482 -2.541) 9.956 17.122 ( -0.122 -0.081 -0.187) 0.238 17.454 ( 1.051 -7.266 -6.305) 9.677 ======================= Grid point 114 (30/100) ======================= q-point: (-0.56 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -4.365 -1.217 4.123) 6.126 1.267 ( 0.896 2.653 2.139) 3.524 1.376 ( 3.015 -2.351 0.454) 3.850 1.405 ( -12.541 1.809 -0.284) 12.674 1.666 ( 5.256 7.529 2.392) 9.489 1.910 ( 3.261 -6.578 -1.666) 7.529 2.155 ( -8.229 -0.823 1.587) 8.421 2.355 ( 2.260 -1.358 -0.119) 2.639 2.535 ( 0.006 0.628 -1.549) 1.672 2.571 ( 1.633 3.079 -0.580) 3.533 2.665 ( 1.449 -1.899 0.741) 2.501 3.188 ( -1.028 0.098 1.562) 1.873 5.697 ( 0.061 -0.027 -8.025) 8.025 5.864 ( -3.529 4.864 0.619) 6.041 6.098 ( 2.471 -5.127 0.643) 5.728 6.809 ( -0.759 0.842 -1.895) 2.208 6.854 ( 0.463 -0.691 -1.862) 2.039 7.156 ( 1.093 -0.239 4.763) 4.892 7.558 ( -0.744 0.189 -0.615) 0.983 8.020 ( -1.950 1.578 1.263) 2.808 8.117 ( 1.132 -1.082 1.668) 2.288 16.427 ( 1.360 -0.465 3.527) 3.808 16.551 ( 0.265 -1.015 0.573) 1.195 16.580 ( 1.307 -0.332 0.376) 1.400 17.053 ( -8.152 6.445 -3.057) 10.832 17.126 ( 0.028 0.203 -0.144) 0.251 17.466 ( 6.795 -5.034 -5.795) 10.252 ======================= Grid point 122 (31/100) ======================= q-point: ( 0.33 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 145 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -0.000 -0.000 4.262) 4.262 1.300 ( -1.446 -2.892 1.194) 3.447 1.300 ( 1.446 2.892 1.194) 3.447 1.568 ( -0.000 -0.000 3.177) 3.177 1.737 ( -4.238 -8.476 -1.886) 9.662 1.737 ( 4.238 8.476 -1.886) 9.662 2.279 ( -2.309 -4.619 0.898) 5.241 2.279 ( 2.309 4.619 0.898) 5.241 2.521 ( -0.000 -0.000 -3.395) 3.395 2.615 ( -1.166 -2.331 1.241) 2.886 2.615 ( 1.166 2.331 1.241) 2.886 3.198 ( -0.000 -0.000 1.597) 1.597 5.696 ( -0.000 -0.000 -8.013) 8.013 5.986 ( -2.615 -5.230 0.579) 5.876 5.986 ( 2.615 5.230 0.579) 5.876 6.834 ( -0.525 -1.051 -1.903) 2.237 6.834 ( 0.525 1.051 -1.903) 2.237 7.145 ( -0.000 -0.000 4.741) 4.741 7.566 ( -0.000 -0.000 -0.630) 0.630 8.074 ( -1.154 -2.309 1.601) 3.038 8.074 ( 1.154 2.309 1.601) 3.038 16.412 ( -0.000 -0.000 3.530) 3.530 16.554 ( -0.403 -0.807 0.527) 1.045 16.554 ( 0.403 0.807 0.527) 1.045 17.121 ( -0.000 -0.000 -0.194) 0.194 17.272 ( -4.439 -8.878 -4.472) 10.887 17.272 ( 4.439 8.878 -4.472) 10.887 ======================= Grid point 182 (32/100) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 0.000 0.000 12.247) 12.247 0.505 ( 0.000 0.000 12.247) 12.247 0.871 ( 0.000 0.000 19.862) 19.862 1.691 ( 0.000 0.000 3.176) 3.176 1.884 ( -0.000 0.000 -4.619) 4.619 1.884 ( 0.000 0.000 -4.619) 4.619 2.298 ( -0.000 0.000 0.107) 0.107 2.298 ( 0.000 0.000 0.107) 0.107 2.532 ( 0.000 -0.000 1.602) 1.602 2.532 ( 0.000 0.000 1.602) 1.602 2.567 ( 0.000 0.000 -4.727) 4.727 2.952 ( 0.000 0.000 2.158) 2.158 5.635 ( 0.000 0.000 -6.942) 6.942 5.851 ( 0.000 0.000 1.911) 1.911 5.851 ( 0.000 0.000 1.911) 1.911 6.756 ( 0.000 -0.000 -3.396) 3.396 6.756 ( 0.000 -0.000 -3.396) 3.396 7.410 ( 0.000 0.000 -0.733) 0.733 7.484 ( 0.000 0.000 2.651) 2.651 7.961 ( 0.000 0.000 1.068) 1.068 7.961 ( 0.000 0.000 1.068) 1.068 16.600 ( 0.000 -0.000 0.107) 0.107 16.600 ( 0.000 0.000 0.107) 0.107 16.704 ( 0.000 -0.000 -1.390) 1.390 16.704 ( 0.000 0.000 -1.390) 1.390 17.142 ( 0.000 0.000 -0.156) 0.156 17.568 ( 0.000 0.000 -2.245) 2.245 ======================= Grid point 183 (33/100) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 7.459 4.307 9.564) 12.871 0.645 ( 8.125 4.691 10.654) 14.197 0.982 ( 8.814 5.089 15.637) 18.658 1.656 ( -2.238 -1.292 2.703) 3.740 1.793 ( -4.192 -2.420 -4.798) 6.815 1.947 ( -3.235 -1.868 0.503) 3.769 2.095 ( -4.948 -2.857 3.541) 6.722 2.334 ( 1.159 0.669 -0.053) 1.339 2.526 ( -0.162 -0.093 1.507) 1.519 2.563 ( 2.372 1.369 1.083) 2.945 2.678 ( 3.864 2.231 -10.130) 11.069 2.990 ( 2.916 1.683 2.124) 3.980 5.600 ( -2.305 -1.331 -7.196) 7.672 5.839 ( -0.969 -0.560 1.941) 2.241 5.893 ( 3.264 1.885 2.012) 4.273 6.754 ( -0.239 -0.138 -3.400) 3.411 6.765 ( 0.644 0.372 -3.481) 3.560 7.425 ( 1.164 0.672 -0.755) 1.542 7.444 ( -2.590 -1.496 4.256) 5.202 7.957 ( -0.049 -0.028 1.007) 1.009 8.040 ( 5.022 2.899 -0.626) 5.832 16.587 ( -0.574 -0.332 0.041) 0.664 16.594 ( -0.725 -0.419 0.565) 1.010 16.712 ( 0.348 0.201 -1.371) 1.429 16.764 ( 4.096 2.365 -1.314) 4.909 17.144 ( 0.208 0.120 -0.312) 0.393 17.513 ( -4.116 -2.376 -3.962) 6.187 ======================= Grid point 184 (34/100) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 8.777 5.067 8.161) 13.012 0.867 ( 9.871 5.699 8.329) 14.116 1.253 ( 12.118 6.996 7.000) 15.645 1.590 ( -3.419 -1.974 3.102) 5.021 1.683 ( -5.004 -2.889 -3.782) 6.906 1.768 ( -6.167 -3.561 4.826) 8.602 2.098 ( 0.533 0.307 2.388) 2.466 2.361 ( 1.194 0.689 -0.627) 1.515 2.523 ( -0.180 -0.104 1.279) 1.296 2.629 ( 2.834 1.636 0.969) 3.413 2.711 ( -0.638 -0.368 -10.791) 10.816 3.076 ( 3.883 2.242 2.128) 4.963 5.547 ( -1.914 -1.105 -8.628) 8.907 5.808 ( -1.451 -0.838 1.987) 2.599 5.999 ( 5.319 3.071 1.989) 6.456 6.745 ( -0.414 -0.239 -3.413) 3.446 6.784 ( 0.945 0.546 -3.513) 3.678 7.380 ( -2.626 -1.516 5.264) 6.075 7.461 ( 1.741 1.005 -0.810) 2.167 7.959 ( 0.178 0.103 0.959) 0.981 8.149 ( 3.636 2.099 -0.029) 4.199 16.571 ( -1.172 -0.677 1.570) 2.073 16.577 ( -0.186 -0.108 0.056) 0.222 16.717 ( 0.021 0.012 -1.419) 1.419 16.845 ( 1.975 1.141 1.717) 2.855 17.146 ( -0.255 -0.147 0.037) 0.296 17.410 ( -3.634 -2.098 -9.115) 10.034 ======================= Grid point 185 (35/100) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 8.459 4.884 7.768) 12.480 1.096 ( 8.645 4.991 5.619) 11.456 1.407 ( -2.198 -1.269 1.818) 3.122 1.521 ( -1.276 -0.737 2.184) 2.634 1.560 ( -4.861 -2.807 -1.394) 5.784 1.774 ( 7.971 4.602 2.573) 9.557 2.083 ( -1.469 -0.848 3.145) 3.574 2.391 ( 1.206 0.696 -1.644) 2.154 2.516 ( -0.382 -0.220 1.230) 1.307 2.660 ( -3.335 -1.926 -7.735) 8.640 2.692 ( 2.005 1.158 1.079) 2.554 3.162 ( 3.039 1.755 2.258) 4.173 5.512 ( -0.978 -0.564 -10.157) 10.219 5.775 ( -1.242 -0.717 2.021) 2.478 6.131 ( 5.288 3.053 1.685) 6.334 6.735 ( -0.390 -0.225 -3.425) 3.454 6.807 ( 0.866 0.500 -3.395) 3.539 7.322 ( -2.161 -1.248 5.564) 6.098 7.502 ( 1.485 0.857 -0.871) 1.923 7.965 ( 0.320 0.185 0.940) 1.010 8.210 ( 1.485 0.858 1.821) 2.502 16.543 ( -0.965 -0.557 3.053) 3.250 16.579 ( 0.371 0.214 0.055) 0.432 16.713 ( -0.400 -0.231 -1.417) 1.491 16.845 ( -2.032 -1.173 3.524) 4.234 17.129 ( -0.917 -0.530 -0.074) 1.062 17.369 ( 0.272 0.157 -12.334) 12.338 ======================= Grid point 186 (36/100) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 3.284 1.896 7.571) 8.467 1.212 ( -1.060 -0.612 0.041) 1.225 1.309 ( -2.297 -1.326 1.159) 2.895 1.489 ( -0.947 -0.547 1.383) 1.763 1.511 ( 2.713 1.567 4.468) 5.457 2.020 ( 8.289 4.786 1.030) 9.627 2.052 ( 0.798 0.461 0.141) 0.932 2.407 ( -0.239 -0.138 -3.100) 3.112 2.510 ( 0.082 0.047 1.647) 1.650 2.543 ( -6.032 -3.482 -3.833) 7.950 2.727 ( 0.664 0.383 0.990) 1.252 3.213 ( 1.136 0.656 2.409) 2.743 5.498 ( -0.219 -0.126 -10.966) 10.969 5.753 ( -0.508 -0.293 2.028) 2.111 6.233 ( 2.846 1.643 1.381) 3.565 6.729 ( -0.146 -0.084 -3.427) 3.431 6.823 ( 0.393 0.227 -3.216) 3.248 7.284 ( -0.849 -0.490 5.636) 5.721 7.527 ( 0.569 0.329 -0.912) 1.124 7.973 ( 0.297 0.172 0.961) 1.020 8.223 ( -0.351 -0.202 2.986) 3.013 16.533 ( 0.235 0.136 4.625) 4.632 16.592 ( 0.596 0.344 0.077) 0.693 16.701 ( -0.474 -0.274 -1.407) 1.510 16.764 ( -4.020 -2.321 1.396) 4.847 17.117 ( -0.024 -0.014 -0.387) 0.388 17.402 ( 2.027 1.170 -11.511) 11.746 ======================= Grid point 187 (37/100) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -6.932 -4.002 5.135) 9.510 1.084 ( -7.767 -4.484 -0.272) 8.972 1.378 ( 4.041 2.333 2.494) 5.291 1.506 ( 2.858 1.650 2.299) 4.022 1.649 ( 6.986 4.033 5.506) 9.767 2.014 ( -1.625 -0.938 3.747) 4.191 2.166 ( -2.253 -1.301 -2.241) 3.434 2.374 ( -2.345 -1.354 -3.729) 4.609 2.446 ( 1.465 0.846 -3.839) 4.195 2.522 ( 0.780 0.450 1.468) 1.722 2.723 ( -0.927 -0.535 0.571) 1.214 3.213 ( -1.137 -0.656 2.438) 2.769 5.500 ( 0.373 0.215 -10.995) 11.003 5.752 ( 0.430 0.248 2.011) 2.071 6.255 ( -1.093 -0.631 1.370) 1.863 6.729 ( 0.180 0.104 -3.421) 3.427 6.823 ( -0.358 -0.207 -3.184) 3.211 7.286 ( 0.998 0.576 5.597) 5.714 7.527 ( -0.585 -0.338 -0.918) 1.140 7.978 ( 0.134 0.077 1.016) 1.027 8.198 ( -1.563 -0.902 2.973) 3.478 16.555 ( 1.426 0.823 5.545) 5.784 16.602 ( 0.210 0.121 0.233) 0.337 16.681 ( -2.355 -1.360 -0.193) 2.726 16.695 ( 0.009 0.005 -1.517) 1.517 17.122 ( 0.373 0.216 -0.242) 0.494 17.450 ( 1.736 1.002 -11.005) 11.186 ======================= Grid point 188 (38/100) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -8.888 -5.132 2.296) 10.517 0.897 ( -6.835 -3.946 7.296) 10.748 1.445 ( 1.776 1.026 -0.540) 2.121 1.600 ( 2.937 1.696 4.792) 5.871 1.808 ( 5.979 3.452 4.039) 7.998 1.903 ( -7.843 -4.528 5.911) 10.815 2.039 ( -3.659 -2.112 0.254) 4.232 2.306 ( -3.023 -1.745 -3.867) 5.209 2.539 ( 0.487 0.281 1.251) 1.372 2.555 ( 4.006 2.313 -5.203) 6.962 2.700 ( -0.127 -0.073 -2.260) 2.264 3.161 ( -3.065 -1.770 2.324) 4.234 5.516 ( 0.961 0.555 -10.279) 10.339 5.772 ( 1.203 0.695 1.980) 2.419 6.183 ( -4.700 -2.713 1.580) 5.652 6.736 ( 0.393 0.227 -3.414) 3.444 6.808 ( -0.889 -0.513 -3.349) 3.502 7.326 ( 2.226 1.285 5.510) 6.080 7.501 ( -1.487 -0.859 -0.882) 1.931 7.979 ( -0.080 -0.046 1.080) 1.084 8.153 ( -2.135 -1.233 1.854) 3.084 16.574 ( -0.058 -0.033 2.276) 2.277 16.603 ( -0.081 -0.046 0.393) 0.404 16.680 ( 2.243 1.295 2.937) 3.915 16.700 ( 0.293 0.169 -1.635) 1.670 17.133 ( 0.471 0.272 -0.100) 0.553 17.480 ( 0.742 0.429 -10.970) 11.003 ======================= Grid point 189 (39/100) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( -7.989 -4.612 5.856) 10.926 0.750 ( -5.261 -3.037 10.851) 12.436 1.360 ( -12.543 -7.242 4.326) 15.116 1.573 ( 0.519 0.300 3.150) 3.206 1.897 ( 6.827 3.942 6.556) 10.253 1.923 ( 3.164 1.827 1.446) 3.929 1.965 ( -3.108 -1.794 -0.280) 3.599 2.245 ( -1.583 -0.914 -3.094) 3.593 2.544 ( -0.017 -0.010 1.325) 1.325 2.571 ( -1.467 -0.847 0.084) 1.696 2.736 ( 1.494 0.862 -9.453) 9.609 3.075 ( -3.885 -2.243 2.181) 4.988 5.548 ( 1.732 1.000 -8.831) 9.055 5.806 ( 1.469 0.848 1.944) 2.580 6.046 ( -6.251 -3.609 1.680) 7.411 6.746 ( 0.391 0.226 -3.409) 3.439 6.784 ( -0.961 -0.555 -3.488) 3.660 7.385 ( 2.563 1.480 5.230) 6.009 7.461 ( -1.730 -0.999 -0.818) 2.158 7.974 ( -0.249 -0.144 1.121) 1.157 8.096 ( -2.711 -1.565 0.174) 3.136 16.574 ( 0.243 0.140 0.389) 0.480 16.602 ( 0.057 0.033 0.413) 0.418 16.704 ( 0.047 0.027 -1.638) 1.639 16.743 ( 2.031 1.173 3.186) 3.956 17.143 ( 0.283 0.163 -0.117) 0.347 17.494 ( 0.750 0.433 -9.255) 9.296 ======================= Grid point 190 (40/100) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( -4.081 -2.356 10.120) 11.163 0.633 ( -5.197 -3.000 12.331) 13.714 1.019 ( -12.366 -7.140 14.007) 20.003 1.634 ( 3.515 2.029 1.596) 4.361 1.886 ( -2.714 -1.567 -2.716) 4.147 1.944 ( -1.288 -0.744 -2.569) 2.969 2.119 ( 10.555 6.094 5.846) 13.518 2.248 ( 1.666 0.962 -0.761) 2.069 2.535 ( -1.107 -0.639 1.066) 1.664 2.540 ( -0.309 -0.178 1.499) 1.541 2.704 ( -4.799 -2.771 -9.703) 11.174 2.990 ( -2.887 -1.667 2.137) 3.960 5.599 ( 2.335 1.348 -7.233) 7.720 5.837 ( 1.031 0.595 1.915) 2.255 5.909 ( -4.617 -2.666 1.746) 5.610 6.754 ( 0.225 0.130 -3.403) 3.413 6.765 ( -0.640 -0.369 -3.471) 3.548 7.425 ( -1.156 -0.668 -0.757) 1.535 7.446 ( 2.446 1.412 4.209) 5.069 7.967 ( -0.312 -0.180 1.115) 1.172 8.019 ( -3.631 -2.096 -0.472) 4.219 16.585 ( 0.607 0.350 0.092) 0.707 16.604 ( 0.024 0.014 0.288) 0.290 16.703 ( -0.077 -0.045 -1.530) 1.532 16.748 ( -1.714 -0.990 -0.356) 2.011 17.144 ( -0.137 -0.079 -0.293) 0.333 17.530 ( 2.220 1.282 -4.497) 5.176 ======================= Grid point 192 (41/100) ======================= q-point: ( 0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 9.155 7.489 6.613) 13.552 0.743 ( 6.475 4.263 11.389) 13.777 1.225 ( 4.280 15.525 8.116) 18.034 1.589 ( -0.803 -3.236 1.823) 3.800 1.824 ( -8.745 2.131 -1.752) 9.170 1.848 ( -7.086 -4.657 3.959) 9.358 2.051 ( 3.387 -2.690 2.526) 5.009 2.310 ( 4.899 -0.840 -1.108) 5.093 2.524 ( -0.645 0.340 1.506) 1.673 2.592 ( 2.850 1.216 0.517) 3.141 2.727 ( -1.144 0.449 -10.496) 10.567 3.051 ( 2.241 3.821 2.136) 4.918 5.559 ( -1.231 -2.120 -8.223) 8.581 5.833 ( 0.133 -0.410 1.669) 1.724 5.970 ( 0.893 5.347 2.114) 5.819 6.750 ( -0.158 -0.228 -3.405) 3.416 6.777 ( 0.454 0.775 -3.515) 3.628 7.399 ( -1.672 -2.558 5.088) 5.936 7.451 ( 0.979 1.678 -0.802) 2.101 7.967 ( -0.298 0.821 1.084) 1.392 8.100 ( 3.655 2.424 -0.376) 4.401 16.562 ( -0.901 -1.245 0.720) 1.697 16.603 ( -0.617 0.447 0.252) 0.803 16.710 ( 0.309 -0.603 -0.681) 0.960 16.796 ( 3.681 0.121 0.631) 3.737 17.146 ( 0.059 -0.137 -0.178) 0.232 17.467 ( -3.970 -1.487 -7.760) 8.843 ======================= Grid point 193 (42/100) ======================= q-point: ( 0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 7.147 4.988 8.885) 12.446 0.990 ( 11.421 7.405 5.209) 14.574 1.409 ( 1.041 4.108 1.332) 4.442 1.524 ( -2.898 -3.436 3.081) 5.450 1.703 ( -6.539 4.337 -0.211) 7.849 1.746 ( -0.924 2.823 2.957) 4.191 2.068 ( 1.420 -2.837 3.199) 4.505 2.373 ( 2.095 0.496 -0.993) 2.371 2.519 ( -0.232 0.184 1.182) 1.218 2.650 ( 2.331 -0.387 -1.588) 2.847 2.687 ( -1.617 -1.645 -6.633) 7.023 3.134 ( 2.660 3.103 2.220) 4.651 5.521 ( -0.944 -1.114 -9.674) 9.784 5.822 ( -2.063 1.725 1.700) 3.182 6.060 ( 4.276 2.591 2.058) 5.407 6.744 ( -0.416 0.083 -3.412) 3.439 6.795 ( 0.792 0.411 -3.475) 3.588 7.341 ( -1.903 -2.130 5.493) 6.191 7.489 ( 1.266 1.555 -0.869) 2.185 7.975 ( -0.189 1.481 1.126) 1.870 8.175 ( 2.826 0.418 1.085) 3.055 16.537 ( -0.268 -1.431 1.769) 2.291 16.591 ( -0.923 0.379 0.610) 1.169 16.696 ( -0.052 -2.405 0.640) 2.489 16.859 ( 2.074 1.067 0.884) 2.495 17.138 ( -0.583 -0.528 0.136) 0.798 17.386 ( -3.041 -0.664 -11.227) 11.650 ======================= Grid point 194 (43/100) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 7.406 2.752 8.153) 11.353 1.235 ( 3.975 7.704 2.466) 9.013 1.348 ( -3.021 -2.265 1.465) 4.050 1.474 ( 0.743 -2.153 1.743) 2.868 1.575 ( -8.287 1.350 0.390) 8.405 1.924 ( 8.357 7.458 -0.318) 11.206 2.051 ( -0.432 -1.081 3.804) 3.978 2.400 ( 0.849 -0.199 -1.907) 2.097 2.514 ( -0.599 -0.370 0.242) 0.745 2.596 ( -3.492 -3.133 -4.663) 6.614 2.704 ( 1.799 -0.170 1.093) 2.112 3.200 ( 1.632 1.767 2.370) 3.377 5.502 ( -0.406 -0.356 -10.716) 10.730 5.801 ( -2.789 3.054 1.872) 4.540 6.160 ( 5.083 -0.450 1.634) 5.358 6.738 ( -0.520 0.485 -3.429) 3.502 6.811 ( 0.794 -0.124 -3.347) 3.442 7.293 ( -1.235 -1.452 5.643) 5.956 7.522 ( 0.777 1.041 -0.922) 1.593 7.989 ( -0.466 2.114 1.191) 2.471 8.208 ( 1.209 -1.018 2.515) 2.970 16.523 ( 0.195 -0.930 3.449) 3.577 16.585 ( 0.163 -0.049 0.670) 0.692 16.660 ( -0.151 -3.922 1.025) 4.057 16.878 ( -3.208 4.246 -0.569) 5.352 17.120 ( -0.555 -0.288 -0.330) 0.707 17.360 ( 1.428 -1.631 -11.486) 11.689 ======================= Grid point 195 (44/100) ======================= q-point: ( 0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -3.986 -3.421 5.310) 7.470 1.243 ( -4.176 3.851 1.702) 5.930 1.336 ( -0.850 2.165 0.671) 2.420 1.459 ( -0.059 -2.386 1.575) 2.859 1.595 ( 6.395 6.087 5.037) 10.164 2.011 ( 0.816 -3.743 1.010) 3.962 2.136 ( 3.966 4.330 -0.906) 5.942 2.394 ( -1.028 -1.474 -1.998) 2.687 2.454 ( -2.478 -2.834 -3.968) 5.469 2.542 ( -1.334 2.148 1.603) 2.994 2.718 ( 0.473 -1.198 0.950) 1.600 3.225 ( -0.230 0.401 2.461) 2.504 5.497 ( 0.068 0.025 -11.069) 11.069 5.790 ( -2.256 3.675 1.919) 4.720 6.216 ( 2.882 -3.189 1.432) 4.531 6.736 ( -0.404 0.749 -3.438) 3.542 6.818 ( 0.374 -0.633 -3.250) 3.333 7.274 ( 0.337 -0.454 5.658) 5.686 7.535 ( -0.227 0.383 -0.946) 1.045 7.999 ( -0.962 2.311 1.250) 2.798 8.201 ( -0.177 -1.723 3.049) 3.507 16.530 ( 1.330 -0.320 5.076) 5.257 16.594 ( 0.839 -0.254 0.487) 1.003 16.616 ( 0.134 -3.958 0.534) 3.996 16.843 ( -6.067 6.154 -2.449) 8.982 17.118 ( 0.285 0.085 -0.330) 0.444 17.390 ( 3.794 -2.503 -10.585) 11.520 ======================= Grid point 197 (45/100) ======================= q-point: (-0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -6.943 -2.081 6.073) 9.457 1.088 ( -13.053 2.744 1.059) 13.381 1.412 ( 3.299 1.198 1.271) 3.733 1.489 ( 6.236 -2.618 3.245) 7.501 1.770 ( 4.661 5.989 4.496) 8.821 1.975 ( -0.247 -4.206 0.655) 4.264 2.069 ( -8.600 -5.315 2.096) 10.325 2.355 ( -1.904 -0.120 -2.023) 2.781 2.490 ( 4.701 2.279 -5.872) 7.859 2.553 ( -0.242 2.299 0.944) 2.497 2.700 ( -0.553 -1.394 0.112) 1.504 3.200 ( -2.356 -0.535 2.407) 3.410 5.504 ( 0.616 0.108 -10.751) 10.769 5.797 ( -1.293 3.691 1.841) 4.323 6.192 ( -0.813 -4.958 1.615) 5.278 6.739 ( -0.142 0.697 -3.425) 3.499 6.812 ( -0.270 -0.795 -3.312) 3.417 7.295 ( 1.997 0.292 5.599) 5.952 7.522 ( -1.303 -0.142 -0.931) 1.608 8.000 ( -1.323 1.598 1.294) 2.445 8.173 ( -1.123 -1.158 2.476) 2.955 16.546 ( 0.899 -1.698 3.574) 4.058 16.602 ( 1.293 -1.203 0.157) 1.773 16.613 ( 2.031 0.265 2.315) 3.090 16.804 ( -4.971 5.875 -2.414) 8.065 17.127 ( 0.468 0.195 -0.175) 0.536 17.429 ( 3.381 -2.785 -10.658) 11.523 ======================= Grid point 198 (46/100) ======================= q-point: (-0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -7.149 0.991 9.127) 11.636 0.877 ( -13.042 2.675 3.486) 13.762 1.448 ( -1.297 -1.103 -0.809) 1.885 1.564 ( 2.329 -3.150 5.315) 6.603 1.778 ( -2.401 -3.401 5.361) 6.788 1.915 ( 0.390 -8.813 -1.531) 8.954 1.970 ( 0.928 6.335 4.384) 7.760 2.320 ( -3.146 2.658 -1.930) 4.549 2.536 ( 0.093 -0.850 0.879) 1.226 2.599 ( 0.243 2.343 -2.435) 3.388 2.698 ( 2.157 -0.290 -5.718) 6.118 3.134 ( -4.036 -0.731 2.255) 4.680 5.523 ( 1.419 0.095 -9.756) 9.860 5.817 ( -0.396 2.726 1.702) 3.238 6.093 ( -4.003 -4.839 1.936) 6.572 6.744 ( 0.128 0.359 -3.409) 3.431 6.795 ( -0.748 -0.496 -3.452) 3.567 7.344 ( 2.852 0.363 5.470) 6.179 7.489 ( -1.984 -0.300 -0.876) 2.189 7.986 ( -1.126 0.176 1.252) 1.693 8.140 ( -2.180 0.511 1.089) 2.490 16.545 ( 1.141 -1.344 1.418) 2.262 16.607 ( 0.200 -0.364 0.113) 0.430 16.674 ( 2.934 0.758 2.595) 3.990 16.789 ( -2.695 4.703 -0.637) 5.458 17.138 ( 0.500 0.187 -0.032) 0.535 17.450 ( 2.372 -2.965 -10.585) 11.245 ======================= Grid point 203 (47/100) ======================= q-point: ( 0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 5.377 4.375 8.138) 10.690 1.176 ( 11.369 9.906 1.725) 15.178 1.411 ( -5.131 -1.796 0.791) 5.493 1.442 ( -1.522 -4.307 3.011) 5.471 1.778 ( -9.783 2.636 0.091) 10.133 1.874 ( 2.934 2.327 0.576) 3.789 2.039 ( 3.217 4.097 4.409) 6.825 2.372 ( 1.433 -0.612 -0.676) 1.698 2.516 ( -0.749 -1.935 -3.157) 3.778 2.600 ( 0.519 -1.952 -2.386) 3.126 2.680 ( 0.065 0.170 0.315) 0.364 3.194 ( 1.417 2.447 2.375) 3.693 5.504 ( -0.377 -0.515 -10.591) 10.610 5.861 ( 1.449 1.685 1.540) 2.704 6.103 ( -0.591 1.528 1.982) 2.571 6.748 ( 0.154 0.344 -3.418) 3.438 6.800 ( 0.087 0.115 -3.428) 3.431 7.297 ( -1.222 -1.970 5.631) 6.090 7.521 ( 0.790 1.361 -0.942) 1.834 8.016 ( 0.637 2.199 1.573) 2.778 8.172 ( 1.181 -0.540 2.085) 2.456 16.519 ( -0.750 -0.284 2.718) 2.834 16.587 ( -0.887 -0.863 1.147) 1.687 16.632 ( -0.479 -3.006 2.223) 3.769 16.904 ( 4.853 3.097 -2.585) 6.310 17.128 ( -0.440 -0.402 -0.113) 0.607 17.361 ( -4.101 -1.935 -10.648) 11.574 ======================= Grid point 204 (48/100) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 3.142 0.726 7.294) 7.975 1.298 ( -3.240 0.814 2.326) 4.071 1.387 ( 0.209 -1.024 0.219) 1.067 1.488 ( 7.972 7.808 2.171) 11.368 1.611 ( -10.204 2.331 0.819) 10.499 1.900 ( 3.429 -7.413 -0.601) 8.189 2.162 ( 1.877 8.257 2.101) 8.724 2.374 ( 0.681 -2.472 -0.416) 2.598 2.462 ( -1.793 -3.287 -5.297) 6.487 2.594 ( -1.259 2.128 1.312) 2.799 2.686 ( 1.089 -1.513 1.244) 2.241 3.230 ( 0.454 1.006 2.479) 2.713 5.498 ( -0.090 -0.085 -11.021) 11.022 5.890 ( -2.326 5.204 1.693) 5.946 6.112 ( 2.998 -3.962 1.657) 5.237 6.755 ( -0.371 1.080 -3.450) 3.635 6.801 ( 0.452 -0.836 -3.399) 3.529 7.266 ( -0.367 -1.000 5.717) 5.815 7.541 ( 0.211 0.702 -0.981) 1.225 8.047 ( -0.542 3.328 1.821) 3.833 8.172 ( 0.699 -2.323 2.727) 3.650 16.511 ( 0.224 -0.337 4.537) 4.555 16.573 ( 0.415 -1.012 1.374) 1.756 16.593 ( -0.629 -2.006 0.827) 2.259 16.997 ( -1.525 6.885 -4.257) 8.237 17.116 ( -0.308 -0.089 -0.366) 0.486 17.290 ( 1.201 -5.125 -9.492) 10.854 ======================= Grid point 205 (49/100) ======================= q-point: (-0.56 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -4.463 -0.353 6.410) 7.819 1.330 ( 1.179 2.718 3.840) 4.850 1.373 ( -2.073 0.717 -0.760) 2.321 1.413 ( -7.047 0.293 1.311) 7.174 1.732 ( 6.439 5.806 4.039) 9.564 1.868 ( 3.245 -8.897 -2.305) 9.747 2.192 ( -6.428 0.569 2.064) 6.775 2.352 ( 1.087 -0.814 -0.267) 1.384 2.449 ( 2.286 0.976 -5.949) 6.448 2.593 ( -1.469 2.218 1.661) 3.136 2.684 ( 0.652 -1.626 1.062) 2.048 3.230 ( -1.099 0.109 2.485) 2.719 5.498 ( 0.164 0.009 -11.023) 11.024 5.887 ( -3.564 4.606 1.683) 6.062 6.120 ( 2.697 -4.874 1.662) 5.813 6.755 ( -0.724 0.854 -3.452) 3.629 6.801 ( 0.487 -0.811 -3.391) 3.520 7.266 ( 1.094 -0.207 5.707) 5.815 7.541 ( -0.715 0.169 -0.984) 1.228 8.053 ( -2.255 2.026 1.858) 3.556 8.163 ( 0.834 -1.392 2.699) 3.149 16.518 ( 0.789 -0.830 5.008) 5.138 16.566 ( 0.593 -0.549 0.909) 1.216 16.591 ( 1.317 -0.189 0.887) 1.599 16.974 ( -6.920 5.551 -4.560) 9.974 17.121 ( 0.371 0.132 -0.299) 0.495 17.309 ( 5.532 -4.371 -9.317) 11.684 ======================= Grid point 213 (50/100) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -0.000 -0.000 6.758) 6.758 1.334 ( -1.035 -2.070 2.086) 3.115 1.334 ( 1.035 2.070 2.086) 3.115 1.655 ( 0.000 -0.000 5.212) 5.212 1.693 ( -3.886 -7.773 -2.275) 8.983 1.693 ( 3.886 7.773 -2.275) 8.983 2.300 ( -1.986 -3.972 1.021) 4.557 2.300 ( 1.986 3.972 1.021) 4.557 2.426 ( -0.000 -0.000 -5.930) 5.930 2.644 ( -1.057 -2.114 1.555) 2.830 2.644 ( 1.057 2.114 1.555) 2.830 3.240 ( -0.000 -0.000 2.520) 2.520 5.497 ( -0.000 -0.000 -11.090) 11.090 6.007 ( -2.603 -5.207 1.643) 6.049 6.007 ( 2.603 5.207 1.643) 6.049 6.779 ( -0.537 -1.073 -3.455) 3.658 6.779 ( 0.537 1.073 -3.455) 3.658 7.255 ( -0.000 -0.000 5.756) 5.756 7.549 ( -0.000 -0.000 -1.004) 1.004 8.116 ( -1.337 -2.674 2.440) 3.859 8.116 ( 1.337 2.674 2.440) 3.859 16.506 ( 0.000 -0.000 5.526) 5.526 16.568 ( -0.332 -0.665 0.748) 1.054 16.568 ( 0.332 0.665 0.748) 1.054 17.116 ( -0.000 -0.000 -0.263) 0.263 17.152 ( -3.491 -6.982 -7.107) 10.557 17.152 ( 3.491 6.982 -7.107) 10.557 ======================= Grid point 273 (51/100) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 0.000 -0.000 11.010) 11.010 0.739 ( 0.000 0.000 11.010) 11.010 1.229 ( 0.000 0.000 15.601) 15.601 1.770 ( 0.000 0.000 4.882) 4.882 1.778 ( 0.000 0.000 -5.811) 5.811 1.778 ( 0.000 0.000 -5.811) 5.811 2.298 ( 0.000 0.000 -0.035) 0.035 2.298 ( 0.000 0.000 -0.035) 0.035 2.449 ( 0.000 0.000 -7.035) 7.035 2.564 ( 0.000 0.000 1.521) 1.521 2.564 ( 0.000 0.000 1.521) 1.521 2.997 ( 0.000 0.000 2.150) 2.150 5.498 ( 0.000 0.000 -6.353) 6.353 5.897 ( 0.000 -0.000 2.650) 2.650 5.897 ( 0.000 -0.000 2.650) 2.650 6.680 ( 0.000 -0.000 -4.078) 4.078 6.680 ( 0.000 0.000 -4.078) 4.078 7.395 ( 0.000 0.000 -0.744) 0.744 7.532 ( 0.000 0.000 2.022) 2.022 7.982 ( 0.000 0.000 1.050) 1.050 7.982 ( 0.000 0.000 1.050) 1.050 16.603 ( 0.000 0.000 0.209) 0.209 16.603 ( 0.000 0.000 0.209) 0.209 16.675 ( 0.000 0.000 -1.488) 1.488 16.675 ( 0.000 -0.000 -1.488) 1.488 17.139 ( 0.000 0.000 -0.060) 0.060 17.521 ( 0.000 0.000 -2.318) 2.318 ======================= Grid point 274 (52/100) ======================= q-point: ( 0.11 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 5.036 2.907 9.951) 11.525 0.853 ( 6.402 3.696 9.728) 12.218 1.274 ( 3.932 2.270 12.655) 13.444 1.693 ( -3.438 -1.985 -4.973) 6.363 1.717 ( -2.133 -1.231 3.366) 4.170 1.921 ( 3.751 2.165 -2.132) 4.827 2.142 ( -6.735 -3.888 1.134) 7.859 2.325 ( 0.640 0.370 -0.793) 1.084 2.493 ( 1.415 0.817 -7.646) 7.819 2.559 ( -0.208 -0.120 1.624) 1.642 2.595 ( 2.032 1.173 0.880) 2.506 3.034 ( 2.890 1.669 2.137) 3.963 5.460 ( -2.795 -1.614 -6.473) 7.233 5.886 ( -0.936 -0.540 2.665) 2.875 5.942 ( 3.475 2.006 2.788) 4.885 6.677 ( -0.247 -0.142 -4.082) 4.092 6.687 ( 0.588 0.340 -4.109) 4.165 7.409 ( 1.126 0.650 -0.768) 1.510 7.512 ( -1.496 -0.864 2.611) 3.130 7.979 ( -0.061 -0.035 1.098) 1.100 8.041 ( 4.217 2.434 0.446) 4.889 16.590 ( -0.540 -0.312 0.259) 0.676 16.604 ( -0.256 -0.148 0.410) 0.506 16.683 ( 0.305 0.176 -1.505) 1.545 16.727 ( 4.163 2.404 -2.148) 5.265 17.139 ( -0.032 -0.018 -0.192) 0.195 17.452 ( -5.528 -3.192 -2.422) 6.827 ======================= Grid point 275 (53/100) ======================= q-point: ( 0.22 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 7.751 4.475 7.566) 11.720 1.027 ( 7.618 4.398 7.127) 11.321 1.405 ( 5.931 3.424 6.841) 9.680 1.614 ( -3.086 -1.782 -2.726) 4.486 1.662 ( -2.762 -1.594 4.378) 5.417 1.841 ( -6.198 -3.578 2.736) 7.662 2.130 ( 2.327 1.344 0.423) 2.720 2.336 ( 0.400 0.231 -1.750) 1.810 2.506 ( 0.040 0.023 -8.849) 8.849 2.553 ( -0.274 -0.158 1.623) 1.654 2.651 ( 2.516 1.453 0.650) 2.977 3.120 ( 3.948 2.280 2.167) 5.048 5.384 ( -3.161 -1.825 -7.328) 8.186 5.856 ( -1.410 -0.814 2.708) 3.160 6.051 ( 5.375 3.103 3.161) 6.965 6.668 ( -0.424 -0.245 -4.090) 4.119 6.706 ( 0.955 0.552 -4.162) 4.306 7.444 ( 1.685 0.973 -0.826) 2.114 7.468 ( -2.073 -1.197 3.442) 4.192 7.980 ( 0.157 0.090 1.107) 1.121 8.154 ( 4.579 2.644 0.401) 5.303 16.580 ( -0.170 -0.098 0.317) 0.373 16.597 ( -0.294 -0.169 0.974) 1.031 16.687 ( -0.006 -0.003 -1.553) 1.553 16.842 ( 4.712 2.720 -1.919) 5.769 17.139 ( 0.035 0.020 -0.623) 0.624 17.281 ( -8.002 -4.620 -3.772) 9.980 ======================= Grid point 276 (54/100) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 8.053 4.649 5.964) 11.047 1.184 ( 4.433 2.560 2.476) 5.687 1.458 ( -3.227 -1.863 2.303) 4.381 1.563 ( -0.380 -0.219 2.222) 2.264 1.576 ( -3.206 -1.851 3.562) 5.137 1.820 ( 4.935 2.849 2.346) 6.162 2.149 ( -0.586 -0.338 3.041) 3.115 2.343 ( 0.076 0.044 -3.007) 3.009 2.502 ( -0.620 -0.358 -7.648) 7.682 2.546 ( -0.290 -0.168 1.597) 1.632 2.707 ( 2.000 1.155 0.393) 2.343 3.209 ( 3.173 1.832 2.288) 4.320 5.320 ( -2.045 -1.181 -8.632) 8.949 5.824 ( -1.215 -0.702 2.757) 3.093 6.182 ( 5.112 2.952 3.325) 6.775 6.658 ( -0.397 -0.229 -4.098) 4.123 6.730 ( 0.956 0.552 -4.177) 4.320 7.419 ( -1.906 -1.100 3.975) 4.544 7.483 ( 1.438 0.830 -0.889) 1.884 7.986 ( 0.296 0.171 1.070) 1.123 8.243 ( 2.717 1.568 1.441) 3.452 16.582 ( 0.335 0.194 0.289) 0.483 16.595 ( 0.263 0.152 1.953) 1.977 16.682 ( -0.370 -0.214 -1.544) 1.602 16.906 ( -1.004 -0.579 2.372) 2.640 17.113 ( -3.272 -1.889 -4.171) 5.628 17.152 ( 0.213 0.123 -6.016) 6.021 ======================= Grid point 277 (55/100) ======================= q-point: ( 0.44 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -2.862 -1.652 -1.156) 3.501 1.291 ( 0.770 0.445 5.254) 5.329 1.342 ( -0.386 -0.223 2.036) 2.084 1.524 ( -1.144 -0.661 2.223) 2.586 1.626 ( 5.173 2.986 6.703) 8.978 1.980 ( 6.606 3.814 -1.859) 7.852 2.129 ( -0.525 -0.303 4.409) 4.450 2.332 ( -1.211 -0.699 -4.328) 4.549 2.457 ( -3.300 -1.905 -4.534) 5.923 2.543 ( 0.121 0.070 1.571) 1.577 2.740 ( 0.610 0.352 0.266) 0.753 3.263 ( 1.218 0.703 2.408) 2.789 5.288 ( -0.631 -0.365 -9.539) 9.566 5.802 ( -0.504 -0.291 2.787) 2.847 6.278 ( 2.621 1.514 3.149) 4.368 6.651 ( -0.146 -0.084 -4.104) 4.107 6.748 ( 0.461 0.266 -4.157) 4.191 7.384 ( -0.807 -0.466 4.213) 4.315 7.508 ( 0.549 0.317 -0.929) 1.124 7.993 ( 0.287 0.166 1.007) 1.060 8.279 ( 0.274 0.158 2.526) 2.546 16.595 ( 0.607 0.350 0.214) 0.733 16.616 ( 1.601 0.924 3.292) 3.775 16.671 ( -0.484 -0.280 -1.507) 1.608 16.795 ( -6.032 -3.482 1.744) 7.180 17.102 ( 0.720 0.416 -2.073) 2.234 17.181 ( 1.903 1.099 -8.983) 9.248 ======================= Grid point 278 (56/100) ======================= q-point: (-0.44 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -5.703 -3.293 0.699) 6.622 1.169 ( -5.470 -3.158 4.893) 7.990 1.416 ( 1.035 0.597 1.153) 1.660 1.567 ( 4.995 2.884 3.509) 6.751 1.765 ( 5.790 3.343 5.916) 8.928 2.063 ( 0.058 0.033 -0.759) 0.762 2.139 ( -0.590 -0.340 1.556) 1.699 2.284 ( -2.641 -1.525 -5.080) 5.925 2.374 ( -1.628 -0.940 -3.222) 3.731 2.552 ( 0.540 0.312 1.376) 1.511 2.733 ( -1.120 -0.647 0.398) 1.353 3.264 ( -1.177 -0.679 2.425) 2.780 5.289 ( 0.699 0.404 -9.597) 9.631 5.801 ( 0.413 0.239 2.789) 2.830 6.297 ( -1.171 -0.676 2.832) 3.138 6.652 ( 0.184 0.106 -4.104) 4.110 6.749 ( -0.428 -0.247 -4.191) 4.220 7.385 ( 0.874 0.504 4.157) 4.278 7.508 ( -0.570 -0.329 -0.929) 1.139 7.998 ( 0.144 0.083 0.952) 0.966 8.259 ( -1.843 -1.064 2.915) 3.609 16.607 ( 0.321 0.185 0.228) 0.435 16.661 ( -1.390 -0.803 4.009) 4.318 16.663 ( -0.096 -0.055 -1.562) 1.565 16.683 ( 0.482 0.278 1.030) 1.171 17.116 ( 0.516 0.298 -0.442) 0.742 17.227 ( 1.683 0.972 -10.507) 10.685 ======================= Grid point 279 (57/100) ======================= q-point: (-0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -6.097 -3.520 3.953) 8.074 1.057 ( -3.829 -2.211 8.375) 9.470 1.423 ( -0.044 -0.026 -1.580) 1.581 1.696 ( 4.312 2.489 4.377) 6.629 1.883 ( 3.687 2.129 3.077) 5.253 2.012 ( -6.330 -3.655 5.037) 8.877 2.036 ( -2.899 -1.674 -0.770) 3.434 2.218 ( -2.417 -1.396 -4.514) 5.308 2.425 ( 3.941 2.275 -6.549) 7.975 2.564 ( 0.433 0.250 1.224) 1.322 2.692 ( -2.167 -1.251 0.500) 2.551 3.210 ( -3.184 -1.838 2.334) 4.355 5.321 ( 1.966 1.135 -8.764) 9.053 5.821 ( 1.172 0.677 2.763) 3.077 6.224 ( -4.717 -2.723 2.549) 6.014 6.659 ( 0.398 0.230 -4.100) 4.125 6.730 ( -0.982 -0.567 -4.234) 4.383 7.421 ( 1.962 1.133 3.846) 4.464 7.483 ( -1.440 -0.831 -0.889) 1.885 7.999 ( -0.056 -0.033 0.928) 0.930 8.197 ( -3.184 -1.838 2.365) 4.371 16.602 ( -1.585 -0.915 0.890) 2.035 16.609 ( -0.034 -0.020 0.254) 0.257 16.666 ( 0.256 0.148 -1.613) 1.639 16.754 ( 2.787 1.609 3.525) 4.773 17.128 ( 0.462 0.267 -0.374) 0.651 17.266 ( 1.932 1.115 -9.641) 9.896 ======================= Grid point 280 (58/100) ======================= q-point: (-0.22 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -4.853 -2.802 7.420) 9.298 0.978 ( -3.200 -1.848 11.579) 12.154 1.389 ( -3.705 -2.139 -1.248) 4.456 1.683 ( -3.644 -2.104 7.238) 8.372 1.921 ( -0.825 -0.476 -2.189) 2.387 1.944 ( -2.935 -1.694 0.176) 3.393 2.009 ( 4.743 2.739 2.686) 6.100 2.195 ( 0.877 0.506 -1.305) 1.652 2.500 ( 1.803 1.041 -7.219) 7.514 2.571 ( 0.078 0.045 1.243) 1.247 2.639 ( -2.095 -1.210 -0.098) 2.421 3.121 ( -3.977 -2.296 2.211) 5.097 5.382 ( 3.062 1.768 -7.401) 8.202 5.853 ( 1.433 0.827 2.719) 3.182 6.087 ( -6.237 -3.601 2.394) 7.589 6.669 ( 0.397 0.229 -4.092) 4.118 6.706 ( -0.963 -0.556 -4.187) 4.332 7.444 ( -1.671 -0.965 -0.826) 2.099 7.471 ( 2.031 1.172 3.322) 4.066 7.996 ( -0.226 -0.131 0.943) 0.979 8.113 ( -3.777 -2.181 1.270) 4.543 16.584 ( -0.078 -0.045 0.624) 0.631 16.609 ( 0.027 0.016 0.251) 0.253 16.671 ( 0.086 0.049 -1.605) 1.608 16.781 ( -0.866 -0.500 0.431) 1.089 17.136 ( 0.181 0.105 -0.453) 0.499 17.341 ( 4.486 2.590 -5.693) 7.697 ======================= Grid point 281 (59/100) ======================= q-point: (-0.11 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( -1.687 -0.974 10.192) 10.377 0.869 ( -6.202 -3.581 11.038) 13.157 1.273 ( -3.958 -2.285 10.246) 11.219 1.666 ( 2.347 1.355 1.835) 3.272 1.851 ( -3.867 -2.232 -0.157) 4.467 1.863 ( -3.357 -1.938 -5.365) 6.619 2.183 ( 7.831 4.521 0.991) 9.096 2.244 ( 2.577 1.488 0.340) 2.995 2.502 ( -1.577 -0.911 -6.420) 6.673 2.569 ( -0.175 -0.101 1.368) 1.383 2.590 ( -2.031 -1.173 -0.062) 2.346 3.034 ( -2.892 -1.670 2.150) 3.972 5.458 ( 2.903 1.676 -6.449) 7.268 5.884 ( 1.006 0.581 2.673) 2.914 5.952 ( -4.415 -2.549 2.519) 5.686 6.677 ( 0.232 0.134 -4.083) 4.092 6.687 ( -0.586 -0.339 -4.110) 4.166 7.409 ( -1.117 -0.645 -0.768) 1.501 7.513 ( 1.415 0.817 2.567) 3.042 7.989 ( -0.300 -0.173 0.990) 1.049 8.025 ( -3.224 -1.861 0.764) 3.800 16.590 ( 0.464 0.268 0.378) 0.655 16.609 ( -0.071 -0.041 0.232) 0.246 16.671 ( 0.022 0.013 -1.555) 1.555 16.725 ( -3.067 -1.771 -1.670) 3.916 17.139 ( 0.058 0.034 -0.190) 0.202 17.459 ( 4.557 2.631 -2.759) 5.941 ======================= Grid point 283 (60/100) ======================= q-point: ( 0.11 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 7.547 4.310 7.644) 11.574 0.969 ( 4.051 4.991 10.802) 12.570 1.356 ( 2.743 4.757 3.735) 6.641 1.649 ( -0.819 0.912 4.652) 4.811 1.778 ( -7.323 4.300 -2.038) 8.734 1.910 ( -5.004 -3.546 1.883) 6.416 2.081 ( 2.579 -1.532 0.213) 3.007 2.287 ( 4.740 -2.017 -1.057) 5.259 2.500 ( -0.912 -0.867 -7.121) 7.231 2.569 ( -0.338 0.651 0.634) 0.970 2.627 ( 1.516 1.774 0.304) 2.353 3.095 ( 2.238 3.892 2.167) 4.986 5.403 ( -1.820 -3.334 -7.017) 7.979 5.876 ( -0.018 -0.513 2.577) 2.628 6.020 ( 1.480 5.267 2.836) 6.162 6.673 ( -0.160 -0.234 -4.089) 4.099 6.699 ( 0.437 0.752 -4.156) 4.246 7.434 ( 0.947 1.615 -0.811) 2.040 7.482 ( -1.223 -1.927 3.198) 3.928 7.990 ( -0.266 0.916 1.107) 1.461 8.104 ( 3.632 3.246 0.569) 4.905 16.575 ( -0.546 -0.743 0.639) 1.122 16.609 ( -0.289 0.278 0.307) 0.505 16.685 ( 0.723 0.167 -1.492) 1.666 16.788 ( 3.342 2.477 -1.444) 4.403 17.138 ( 0.009 -0.098 -0.439) 0.450 17.352 ( -5.121 -5.546 -3.874) 8.484 ======================= Grid point 284 (61/100) ======================= q-point: ( 0.22 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 7.833 5.785 5.373) 11.122 1.120 ( 7.380 4.021 7.681) 11.385 1.419 ( 1.358 -1.113 -0.326) 1.786 1.614 ( -4.687 -2.114 5.552) 7.568 1.685 ( -7.410 3.621 -1.169) 8.330 1.818 ( -0.034 3.744 3.967) 5.455 2.126 ( 2.229 -1.455 2.257) 3.490 2.344 ( 1.281 0.709 -1.858) 2.366 2.469 ( 0.669 -3.258 -7.895) 8.567 2.570 ( -0.763 1.363 0.618) 1.680 2.676 ( 2.235 0.908 0.499) 2.463 3.180 ( 2.729 3.228 2.246) 4.787 5.339 ( -1.834 -2.179 -8.175) 8.657 5.866 ( -1.760 1.465 2.556) 3.432 6.114 ( 4.167 2.613 3.260) 5.901 6.666 ( -0.428 0.078 -4.100) 4.123 6.717 ( 0.840 0.418 -4.192) 4.296 7.436 ( -1.611 -1.845 3.795) 4.517 7.471 ( 1.232 1.487 -0.871) 2.118 7.999 ( -0.277 1.777 1.221) 2.174 8.198 ( 3.655 1.455 1.097) 4.084 16.564 ( 0.281 -0.815 0.979) 1.305 16.605 ( -0.351 0.323 0.679) 0.830 16.690 ( -0.363 0.218 -0.950) 1.041 16.873 ( 3.759 0.037 0.007) 3.760 17.136 ( -0.133 -0.384 -0.436) 0.596 17.192 ( -6.216 -3.161 -7.230) 10.045 ======================= Grid point 285 (62/100) ======================= q-point: ( 0.33 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 6.091 3.328 4.895) 8.493 1.260 ( 0.522 4.637 1.323) 4.850 1.389 ( -2.492 -2.131 2.535) 4.144 1.534 ( 0.473 -1.374 4.035) 4.288 1.591 ( -3.458 0.793 1.208) 3.748 1.928 ( 4.066 5.222 1.130) 6.714 2.133 ( 0.077 -0.176 3.915) 3.920 2.343 ( -0.752 -0.429 -3.961) 4.054 2.452 ( 0.305 -3.569 -4.986) 6.140 2.570 ( -1.174 2.032 0.981) 2.544 2.718 ( 1.765 -0.084 0.368) 1.805 3.249 ( 1.720 1.870 2.368) 3.473 5.297 ( -0.997 -0.892 -9.263) 9.359 5.848 ( -2.562 2.893 2.677) 4.701 6.209 ( 4.789 -0.529 3.240) 5.806 6.660 ( -0.526 0.465 -4.114) 4.174 6.735 ( 0.901 -0.152 -4.196) 4.295 7.393 ( -1.120 -1.314 4.166) 4.510 7.503 ( 0.762 0.985 -0.928) 1.553 8.014 ( -0.688 2.559 1.265) 2.936 8.255 ( 2.053 -0.477 2.093) 2.971 16.570 ( 1.182 -0.568 1.202) 1.778 16.607 ( 0.346 0.173 1.241) 1.300 16.676 ( -0.884 -0.853 0.425) 1.300 16.878 ( -3.513 -0.642 0.827) 3.666 17.094 ( -0.458 -0.292 -4.860) 4.890 17.152 ( 1.128 -0.537 -6.131) 6.257 ======================= Grid point 286 (63/100) ======================= q-point: ( 0.44 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -5.725 0.380 1.820) 6.019 1.273 ( -7.355 1.199 1.731) 7.651 1.387 ( 4.062 2.223 3.674) 5.911 1.498 ( 0.666 -2.141 2.489) 3.350 1.696 ( 7.323 4.268 4.800) 9.741 2.004 ( 2.718 -3.852 -0.886) 4.797 2.157 ( 0.366 3.924 2.189) 4.508 2.321 ( -1.337 -0.109 -4.965) 5.143 2.390 ( -2.462 -3.646 -2.311) 4.969 2.572 ( -1.038 2.300 1.312) 2.844 2.732 ( 0.301 -1.057 0.390) 1.166 3.275 ( -0.223 0.428 2.435) 2.483 5.284 ( 0.056 -0.019 -9.714) 9.714 5.838 ( -2.182 3.551 2.751) 4.994 6.260 ( 2.712 -3.180 2.987) 5.137 6.658 ( -0.388 0.722 -4.123) 4.204 6.743 ( 0.436 -0.740 -4.204) 4.291 7.375 ( 0.260 -0.402 4.266) 4.293 7.515 ( -0.210 0.345 -0.950) 1.033 8.025 ( -1.247 2.774 1.219) 3.276 8.261 ( 0.050 -1.775 2.779) 3.298 16.591 ( 1.400 -0.352 0.692) 1.601 16.618 ( 0.757 -1.535 0.448) 1.769 16.649 ( 0.137 -0.884 4.132) 4.228 16.794 ( -5.620 3.179 -2.180) 6.815 17.108 ( 0.837 0.209 -1.183) 1.464 17.179 ( 2.905 -1.507 -9.280) 9.841 ======================= Grid point 288 (64/100) ======================= q-point: (-0.44 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -8.244 3.318 3.594) 9.586 1.134 ( -7.114 -0.093 4.758) 8.559 1.421 ( 0.105 -0.080 -0.046) 0.140 1.575 ( 7.789 -1.607 4.684) 9.230 1.851 ( 3.902 3.763 2.793) 6.098 1.971 ( 1.451 -7.871 -0.063) 8.004 2.124 ( -6.917 -0.866 2.942) 7.567 2.301 ( -3.026 2.906 -4.031) 5.818 2.364 ( 3.516 -0.046 -5.054) 6.157 2.579 ( -0.763 1.876 1.221) 2.364 2.709 ( -1.215 -1.530 0.497) 2.016 3.250 ( -2.455 -0.573 2.392) 3.475 5.298 ( 1.294 0.383 -9.335) 9.432 5.844 ( -1.273 3.469 2.725) 4.591 6.236 ( -0.865 -4.694 2.785) 5.526 6.661 ( -0.119 0.688 -4.117) 4.176 6.735 ( -0.302 -0.900 -4.233) 4.338 7.394 ( 1.766 0.294 4.097) 4.471 7.503 ( -1.250 -0.158 -0.931) 1.566 8.025 ( -1.579 2.005 1.138) 2.794 8.226 ( -1.746 -1.728 2.643) 3.608 16.587 ( -0.412 -2.542 0.985) 2.757 16.606 ( 0.684 -0.293 0.242) 0.782 16.678 ( 1.362 0.514 2.753) 3.114 16.766 ( -1.885 4.838 -0.729) 5.243 17.122 ( 0.545 0.230 -0.361) 0.694 17.214 ( 3.042 -2.141 -10.097) 10.760 ======================= Grid point 289 (65/100) ======================= q-point: (-0.33 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -9.939 3.681 4.517) 11.521 1.046 ( -4.459 1.463 10.257) 11.280 1.417 ( -0.700 -0.561 -2.281) 2.451 1.679 ( 4.111 -2.852 5.685) 7.573 1.855 ( 0.232 -5.403 -0.868) 5.478 1.897 ( -2.096 -7.216 3.138) 8.143 2.047 ( -0.935 4.418 2.786) 5.306 2.276 ( -3.718 4.832 -2.352) 6.535 2.450 ( 4.292 0.316 -7.664) 8.790 2.579 ( -0.680 0.628 1.082) 1.424 2.666 ( -1.932 -0.763 0.400) 2.115 3.181 ( -4.167 -0.788 2.273) 4.812 5.339 ( 2.735 0.479 -8.245) 8.700 5.861 ( -0.328 2.382 2.628) 3.562 6.140 ( -4.134 -4.270 2.741) 6.545 6.667 ( 0.139 0.363 -4.102) 4.121 6.717 ( -0.779 -0.530 -4.217) 4.321 7.437 ( 2.445 0.351 3.725) 4.470 7.471 ( -1.907 -0.298 -0.874) 2.118 8.010 ( -1.328 0.413 1.113) 1.781 8.169 ( -3.341 -0.236 1.647) 3.733 16.568 ( 0.425 -1.130 0.981) 1.556 16.611 ( 0.127 -0.112 0.212) 0.271 16.688 ( -0.588 0.863 -0.859) 1.352 16.802 ( -0.286 3.091 1.234) 3.340 17.133 ( 0.375 0.192 -0.467) 0.629 17.257 ( 4.721 -1.967 -7.964) 9.465 ======================= Grid point 294 (66/100) ======================= q-point: ( 0.22 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 4.829 3.599 7.216) 9.400 1.210 ( 10.328 5.998 2.453) 12.193 1.408 ( -1.269 0.268 -0.250) 1.321 1.534 ( -4.540 -4.733 5.106) 8.312 1.752 ( -9.502 3.536 -2.444) 10.429 1.920 ( 1.134 0.619 3.666) 3.887 2.122 ( 2.757 3.542 3.654) 5.788 2.351 ( -0.328 -0.672 -2.235) 2.357 2.388 ( 1.884 -3.698 -6.858) 8.016 2.603 ( 0.445 1.529 1.044) 1.905 2.690 ( 0.819 0.532 0.484) 1.090 3.243 ( 1.465 2.575 2.359) 3.787 5.302 ( -0.777 -1.287 -9.151) 9.274 5.902 ( 1.419 1.772 2.540) 3.407 6.155 ( -0.472 1.263 3.105) 3.385 6.671 ( 0.141 0.317 -4.129) 4.143 6.722 ( 0.088 0.122 -4.231) 4.234 7.396 ( -1.060 -1.768 4.114) 4.602 7.501 ( 0.763 1.303 -0.934) 1.775 8.047 ( 0.845 2.558 1.505) 3.085 8.214 ( 1.449 0.280 2.040) 2.518 16.558 ( -0.170 0.333 1.321) 1.373 16.603 ( -0.206 -0.443 0.571) 0.752 16.682 ( -0.941 -1.364 2.001) 2.597 16.862 ( 4.174 -0.198 -1.218) 4.352 17.123 ( -0.982 -0.548 -0.578) 1.264 17.153 ( -3.844 -1.366 -9.351) 10.202 ======================= Grid point 295 (67/100) ======================= q-point: ( 0.33 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 1.367 0.203 6.006) 6.163 1.345 ( 0.505 2.758 2.458) 3.729 1.392 ( -1.906 0.620 0.764) 2.145 1.537 ( 2.905 2.916 2.708) 4.927 1.625 ( -3.358 2.965 0.134) 4.482 1.910 ( 1.472 -6.772 1.802) 7.161 2.205 ( 0.407 6.061 1.802) 6.336 2.321 ( 0.230 -1.400 -5.516) 5.695 2.381 ( -0.409 -2.989 -1.365) 3.311 2.620 ( -0.928 2.595 1.137) 2.981 2.705 ( 1.085 -1.208 0.579) 1.724 3.280 ( 0.482 1.069 2.433) 2.700 5.285 ( -0.257 -0.319 -9.713) 9.722 5.934 ( -2.136 5.174 2.655) 6.196 6.160 ( 2.791 -4.083 3.018) 5.794 6.677 ( -0.382 1.043 -4.165) 4.310 6.723 ( 0.499 -0.895 -4.240) 4.362 7.369 ( -0.338 -0.894 4.337) 4.441 7.521 ( 0.209 0.661 -0.973) 1.195 8.085 ( -0.767 3.951 1.777) 4.400 8.225 ( 1.091 -2.293 2.459) 3.534 16.568 ( 0.754 0.420 1.278) 1.542 16.599 ( 0.333 -0.797 0.644) 1.077 16.642 ( -0.965 -1.908 4.082) 4.608 16.911 ( -1.761 3.573 -3.983) 5.633 17.082 ( 0.511 -1.542 -6.850) 7.040 17.125 ( 0.487 -1.574 -2.646) 3.117 ======================= Grid point 296 (68/100) ======================= q-point: (-0.56 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -3.901 1.356 6.486) 7.689 1.338 ( -6.956 2.959 -1.623) 7.732 1.431 ( 5.515 0.556 5.075) 7.516 1.448 ( -5.291 0.224 1.929) 5.636 1.788 ( 6.730 1.590 -0.823) 6.964 1.853 ( 2.523 -6.937 2.931) 7.943 2.233 ( -4.504 1.651 1.758) 5.109 2.309 ( 1.140 -0.993 -6.130) 6.314 2.354 ( 0.140 0.852 -0.893) 1.242 2.623 ( -1.572 2.047 1.165) 2.832 2.702 ( 0.248 -1.466 0.605) 1.605 3.281 ( -1.153 0.109 2.437) 2.698 5.285 ( 0.428 0.048 -9.724) 9.733 5.931 ( -3.606 4.440 2.699) 6.325 6.166 ( 2.780 -4.715 2.908) 6.198 6.677 ( -0.688 0.844 -4.166) 4.306 6.723 ( 0.516 -0.882 -4.246) 4.367 7.369 ( 0.960 -0.163 4.326) 4.434 7.521 ( -0.683 0.153 -0.975) 1.200 8.089 ( -2.693 2.547 1.709) 4.082 8.218 ( 0.730 -1.790 2.596) 3.237 16.577 ( -0.641 -1.242 0.904) 1.665 16.590 ( 0.678 0.013 0.960) 1.175 16.643 ( 2.080 -0.134 4.387) 4.857 16.882 ( -4.728 4.391 -4.318) 7.764 17.111 ( 2.040 -0.177 -3.402) 3.971 17.122 ( 2.415 -3.177 -5.992) 7.199 ======================= Grid point 304 (69/100) ======================= q-point: ( 0.33 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 145 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -0.000 0.000 7.115) 7.115 1.377 ( -0.342 -0.685 2.022) 2.162 1.377 ( 0.342 0.685 2.022) 2.162 1.654 ( -3.142 -6.284 -1.448) 7.173 1.654 ( 3.142 6.284 -1.448) 7.173 1.763 ( -0.000 0.000 5.207) 5.207 2.296 ( -0.000 0.000 -6.713) 6.713 2.319 ( -1.485 -2.971 0.863) 3.432 2.319 ( 1.485 2.971 0.863) 3.432 2.670 ( -0.919 -1.838 0.924) 2.253 2.670 ( 0.919 1.838 0.924) 2.253 3.292 ( -0.000 -0.000 2.455) 2.455 5.282 ( -0.000 -0.000 -9.853) 9.853 6.052 ( -2.639 -5.278 2.794) 6.529 6.052 ( 2.639 5.278 2.794) 6.529 6.701 ( -0.537 -1.073 -4.226) 4.393 6.701 ( 0.537 1.073 -4.226) 4.393 7.359 ( -0.000 -0.000 4.415) 4.415 7.528 ( -0.000 -0.000 -0.993) 0.993 8.165 ( -1.538 -3.076 2.285) 4.129 8.165 ( 1.538 3.076 2.285) 4.129 16.582 ( -0.265 -0.529 0.672) 0.896 16.582 ( 0.265 0.529 0.672) 0.896 16.618 ( -0.000 -0.000 5.318) 5.318 17.007 ( -2.367 -4.734 -7.009) 8.783 17.007 ( 2.367 4.734 -7.009) 8.783 17.111 ( -0.000 -0.000 -0.206) 0.206 ======================= Grid point 364 (70/100) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 0.000 0.000 7.722) 7.722 0.931 ( 0.000 -0.000 7.722) 7.722 1.470 ( 0.000 0.000 7.997) 7.997 1.664 ( 0.000 0.000 -5.062) 5.062 1.664 ( 0.000 -0.000 -5.062) 5.062 1.899 ( 0.000 0.000 8.228) 8.228 2.288 ( 0.000 0.000 -9.093) 9.093 2.297 ( 0.000 0.000 -0.072) 0.072 2.297 ( 0.000 -0.000 -0.072) 0.072 2.589 ( -0.000 -0.000 0.895) 0.895 2.589 ( -0.000 0.000 0.895) 0.895 3.033 ( 0.000 0.000 1.326) 1.326 5.395 ( 0.000 0.000 -3.693) 3.693 5.949 ( 0.000 0.000 2.228) 2.228 5.949 ( 0.000 0.000 2.228) 2.228 6.605 ( 0.000 0.000 -3.081) 3.081 6.605 ( 0.000 0.000 -3.081) 3.081 7.383 ( 0.000 0.000 -0.466) 0.466 7.562 ( 0.000 0.000 0.996) 0.996 8.000 ( 0.000 0.000 0.640) 0.640 8.000 ( 0.000 -0.000 0.640) 0.640 16.608 ( -0.000 0.000 0.344) 0.344 16.608 ( 0.000 -0.000 0.344) 0.344 16.648 ( 0.000 0.000 -1.133) 1.133 16.648 ( 0.000 -0.000 -1.133) 1.133 17.139 ( 0.000 0.000 0.029) 0.029 17.482 ( 0.000 0.000 -1.486) 1.486 ======================= Grid point 365 (71/100) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 3.948 2.279 8.596) 9.730 1.012 ( 4.349 2.511 5.382) 7.361 1.443 ( -0.336 -0.194 3.299) 3.321 1.613 ( -1.471 -0.849 -2.327) 2.881 1.776 ( 3.190 1.842 1.430) 3.951 1.914 ( 2.061 1.190 3.341) 4.102 2.138 ( -6.740 -3.892 -2.047) 8.048 2.305 ( -0.185 -0.107 -1.159) 1.178 2.357 ( 1.262 0.729 -5.304) 5.500 2.586 ( -0.128 -0.074 1.028) 1.038 2.611 ( 1.658 0.957 0.619) 2.012 3.070 ( 2.894 1.671 1.330) 3.597 5.355 ( -3.063 -1.768 -3.776) 5.173 5.937 ( -0.922 -0.532 2.213) 2.456 5.996 ( 3.795 2.191 2.416) 5.004 6.602 ( -0.248 -0.143 -3.081) 3.094 6.611 ( 0.527 0.304 -3.126) 3.185 7.396 ( 1.093 0.631 -0.482) 1.351 7.550 ( -0.981 -0.566 1.208) 1.656 7.998 ( -0.001 -0.000 0.777) 0.777 8.050 ( 3.798 2.193 0.335) 4.399 16.597 ( -0.461 -0.266 0.485) 0.720 16.611 ( -0.097 -0.056 0.209) 0.238 16.656 ( 0.271 0.157 -1.167) 1.208 16.688 ( 3.322 1.918 -1.557) 4.140 17.137 ( -0.164 -0.095 -0.005) 0.190 17.414 ( -5.428 -3.134 -1.304) 6.402 ======================= Grid point 366 (72/100) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 5.638 3.255 7.158) 9.676 1.120 ( 4.136 2.388 1.425) 4.984 1.469 ( 1.712 0.988 -0.932) 2.185 1.600 ( 0.640 0.369 2.066) 2.194 1.777 ( -2.313 -1.336 6.806) 7.311 1.887 ( -4.561 -2.633 2.025) 5.642 2.109 ( 4.368 2.522 -2.392) 5.583 2.294 ( -0.614 -0.354 -2.372) 2.476 2.363 ( -0.335 -0.194 -5.161) 5.176 2.582 ( -0.270 -0.156 1.109) 1.153 2.660 ( 2.254 1.302 0.282) 2.618 3.157 ( 4.013 2.317 1.373) 4.833 5.266 ( -3.947 -2.279 -4.234) 6.221 5.909 ( -1.377 -0.795 2.225) 2.734 6.116 ( 5.815 3.357 3.010) 7.359 6.593 ( -0.424 -0.245 -3.073) 3.112 6.628 ( 0.836 0.483 -3.297) 3.436 7.431 ( 1.637 0.945 -0.522) 1.961 7.518 ( -1.607 -0.928 1.612) 2.458 8.000 ( 0.154 0.089 0.838) 0.857 8.160 ( 4.879 2.817 0.170) 5.637 16.589 ( -0.154 -0.089 0.552) 0.580 16.610 ( 0.119 0.069 0.360) 0.385 16.659 ( -0.020 -0.011 -1.184) 1.185 16.789 ( 4.727 2.729 -2.683) 6.082 17.131 ( -0.343 -0.198 -0.083) 0.404 17.239 ( -8.646 -4.992 -0.890) 10.023 ======================= Grid point 367 (73/100) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 0.971 0.561 -2.080) 2.363 1.225 ( 6.236 3.600 3.993) 8.234 1.464 ( -2.848 -1.644 -1.871) 3.783 1.654 ( 3.798 2.193 6.421) 7.775 1.665 ( -5.182 -2.992 4.792) 7.666 1.877 ( 3.010 1.738 3.372) 4.843 2.193 ( 1.690 0.976 1.143) 2.261 2.275 ( -1.071 -0.618 -3.731) 3.931 2.365 ( 0.609 0.352 -5.843) 5.885 2.574 ( -0.332 -0.192 1.098) 1.163 2.711 ( 1.786 1.031 0.028) 2.062 3.247 ( 3.264 1.885 1.450) 4.039 5.182 ( -2.871 -1.658 -4.954) 5.961 5.877 ( -1.178 -0.680 2.259) 2.637 6.255 ( 5.288 3.053 3.596) 7.087 6.583 ( -0.401 -0.232 -3.069) 3.104 6.649 ( 0.822 0.475 -3.610) 3.733 7.468 ( 1.399 0.808 -0.564) 1.712 7.478 ( -1.616 -0.933 1.949) 2.699 8.005 ( 0.234 0.135 0.795) 0.840 8.265 ( 3.500 2.020 0.590) 4.084 16.591 ( 0.265 0.153 0.515) 0.599 16.621 ( 0.960 0.554 0.781) 1.356 16.654 ( -0.343 -0.198 -1.177) 1.242 16.900 ( 4.306 2.486 -3.803) 6.260 17.019 ( -8.953 -5.169 -0.358) 10.344 17.126 ( -0.376 -0.217 -0.337) 0.550 ======================= Grid point 368 (74/100) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -1.846 -1.066 -1.565) 2.644 1.344 ( -1.919 -1.108 0.315) 2.238 1.385 ( 2.295 1.325 1.999) 3.319 1.578 ( -1.728 -0.998 2.883) 3.506 1.766 ( 5.045 2.913 6.958) 9.075 1.965 ( 3.408 1.968 0.311) 3.948 2.208 ( 0.187 0.108 3.364) 3.371 2.239 ( -2.021 -1.167 -4.799) 5.337 2.367 ( -1.018 -0.588 -4.361) 4.517 2.569 ( -0.022 -0.013 0.956) 0.956 2.740 ( 0.617 0.356 -0.097) 0.719 3.303 ( 1.258 0.726 1.499) 2.088 5.135 ( -0.996 -0.575 -5.496) 5.615 5.856 ( -0.480 -0.277 2.303) 2.368 6.351 ( 2.429 1.402 3.749) 4.682 6.576 ( -0.153 -0.088 -3.078) 3.083 6.664 ( 0.371 0.214 -3.934) 3.958 7.448 ( -0.726 -0.419 2.131) 2.290 7.493 ( 0.537 0.310 -0.585) 0.852 8.010 ( 0.197 0.114 0.672) 0.710 8.319 ( 0.923 0.533 1.318) 1.695 16.601 ( 0.533 0.308 0.404) 0.736 16.644 ( -0.478 -0.276 -1.161) 1.285 16.661 ( 2.386 1.378 1.455) 3.116 16.824 ( -6.915 -3.992 0.440) 7.997 16.988 ( 2.936 1.695 -5.253) 6.252 17.119 ( -0.204 -0.118 -0.454) 0.512 ======================= Grid point 369 (75/100) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -3.091 -1.785 1.314) 3.804 1.256 ( -2.971 -1.715 3.791) 5.113 1.427 ( -0.782 -0.451 0.035) 0.903 1.623 ( 5.106 2.948 1.609) 6.112 1.872 ( 3.286 1.897 4.035) 5.539 2.017 ( 0.740 0.427 -2.338) 2.489 2.184 ( -2.186 -1.262 -4.271) 4.961 2.206 ( -1.183 -0.683 3.903) 4.135 2.317 ( -2.164 -1.250 -2.603) 3.608 2.574 ( 0.371 0.214 0.732) 0.848 2.738 ( -0.850 -0.491 0.080) 0.985 3.304 ( -1.215 -0.701 1.482) 2.040 5.135 ( 1.000 0.577 -5.519) 5.639 5.855 ( 0.414 0.239 2.333) 2.381 6.362 ( -1.586 -0.916 3.305) 3.778 6.576 ( 0.182 0.105 -3.091) 3.098 6.664 ( -0.412 -0.238 -3.988) 4.017 7.448 ( 0.731 0.422 2.115) 2.278 7.492 ( -0.552 -0.319 -0.578) 0.860 8.013 ( 0.068 0.039 0.529) 0.535 8.308 ( -1.756 -1.014 1.839) 2.737 16.612 ( 0.261 0.150 0.259) 0.397 16.635 ( -0.098 -0.056 -1.132) 1.138 16.680 ( -3.361 -1.940 0.287) 3.891 16.747 ( 2.780 1.605 2.918) 4.338 17.043 ( 1.930 1.114 -6.422) 6.798 17.118 ( 0.158 0.091 -0.423) 0.461 ======================= Grid point 370 (76/100) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -3.328 -1.922 4.559) 5.963 1.215 ( -0.564 -0.326 6.880) 6.911 1.388 ( -2.262 -1.306 -1.596) 3.061 1.758 ( 5.365 3.097 1.444) 6.361 1.899 ( -1.263 -0.729 -2.488) 2.884 2.003 ( -1.489 -0.860 -2.464) 3.005 2.106 ( -6.066 -3.502 4.448) 8.298 2.160 ( 0.592 0.342 -0.294) 0.744 2.321 ( 1.861 1.074 -3.547) 4.147 2.584 ( 0.399 0.230 0.620) 0.772 2.703 ( -1.944 -1.122 0.474) 2.294 3.248 ( -3.265 -1.885 1.420) 4.029 5.181 ( 2.813 1.624 -4.968) 5.936 5.875 ( 1.148 0.663 2.334) 2.685 6.279 ( -5.118 -2.955 2.548) 6.435 6.584 ( 0.402 0.232 -3.095) 3.129 6.648 ( -0.820 -0.474 -3.669) 3.790 7.468 ( -1.400 -0.808 -0.548) 1.707 7.478 ( 1.643 0.949 1.894) 2.680 8.013 ( -0.086 -0.050 0.427) 0.439 8.240 ( -3.733 -2.155 1.778) 4.663 16.612 ( -0.117 -0.067 -0.102) 0.169 16.617 ( -1.588 -0.917 0.724) 1.972 16.640 ( 0.311 0.180 -0.856) 0.928 16.803 ( 0.587 0.339 1.395) 1.551 17.106 ( 3.168 1.829 -3.565) 5.108 17.131 ( 1.778 1.026 -1.864) 2.773 ======================= Grid point 371 (77/100) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -2.608 -1.506 7.133) 7.743 1.200 ( -2.607 -1.505 10.280) 10.711 1.329 ( -1.038 -0.599 -4.375) 4.537 1.827 ( -1.070 -0.618 6.287) 6.407 1.831 ( -3.723 -2.150 -6.301) 7.628 1.945 ( -4.094 -2.364 -0.251) 4.734 2.034 ( 3.183 1.838 0.152) 3.679 2.201 ( 2.374 1.371 1.603) 3.175 2.366 ( 1.399 0.808 -5.345) 5.584 2.590 ( 0.146 0.085 0.659) 0.680 2.652 ( -2.164 -1.249 0.740) 2.606 3.158 ( -4.042 -2.334 1.359) 4.861 5.264 ( 3.926 2.267 -4.177) 6.164 5.906 ( 1.394 0.805 2.306) 2.813 6.135 ( -6.326 -3.653 2.115) 7.605 6.594 ( 0.404 0.233 -3.088) 3.123 6.628 ( -0.808 -0.466 -3.314) 3.442 7.430 ( -1.627 -0.939 -0.511) 1.947 7.519 ( 1.599 0.923 1.550) 2.411 8.010 ( -0.197 -0.114 0.413) 0.471 8.139 ( -4.461 -2.576 1.220) 5.294 16.598 ( -0.222 -0.128 0.743) 0.786 16.611 ( 0.059 0.034 -0.138) 0.154 16.645 ( 0.075 0.044 -0.832) 0.836 16.768 ( -2.950 -1.703 -1.206) 3.613 17.130 ( 0.378 0.218 -0.074) 0.442 17.264 ( 7.023 4.055 -2.347) 8.443 ======================= Grid point 372 (78/100) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -0.690 -0.398 8.312) 8.350 1.056 ( -7.299 -4.214 6.796) 10.827 1.388 ( 4.657 2.689 1.891) 5.700 1.725 ( -5.493 -3.171 3.455) 7.222 1.740 ( -3.609 -2.084 -6.497) 7.719 1.899 ( -0.266 -0.154 5.205) 5.214 2.163 ( 6.085 3.513 -3.238) 7.737 2.258 ( 2.163 1.249 0.982) 2.683 2.371 ( -1.329 -0.767 -5.536) 5.745 2.591 ( -0.062 -0.036 0.764) 0.768 2.606 ( -1.461 -0.843 0.868) 1.897 3.070 ( -2.907 -1.679 1.329) 3.611 5.354 ( 3.137 1.811 -3.735) 5.203 5.936 ( 0.971 0.560 2.264) 2.526 6.002 ( -4.268 -2.464 2.154) 5.379 6.602 ( 0.237 0.137 -3.081) 3.094 6.611 ( -0.516 -0.298 -3.130) 3.186 7.396 ( -1.087 -0.628 -0.479) 1.344 7.550 ( 0.957 0.552 1.188) 1.622 8.005 ( -0.222 -0.128 0.495) 0.558 8.041 ( -3.299 -1.904 0.761) 3.884 16.600 ( 0.252 0.146 0.560) 0.631 16.613 ( 0.024 0.014 0.073) 0.078 16.645 ( -0.013 -0.007 -0.976) 0.976 16.691 ( -2.929 -1.691 -1.502) 3.701 17.137 ( 0.185 0.107 -0.000) 0.213 17.417 ( 5.064 2.924 -1.479) 6.031 ======================= Grid point 374 (79/100) ======================= q-point: ( 0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 5.427 1.880 6.797) 8.899 1.152 ( 1.001 7.574 6.394) 9.962 1.373 ( 3.477 -3.618 -0.515) 5.044 1.701 ( -5.099 5.905 -2.287) 8.130 1.805 ( -0.897 1.062 6.420) 6.569 1.935 ( -0.995 0.248 0.830) 1.319 2.061 ( 0.684 -1.978 -2.071) 2.944 2.272 ( 2.830 -1.900 -0.401) 3.432 2.363 ( -1.242 -1.013 -5.583) 5.809 2.591 ( -0.194 0.416 0.900) 1.010 2.639 ( 1.388 1.639 0.545) 2.216 3.132 ( 2.255 3.946 1.351) 4.741 5.290 ( -2.231 -4.014 -4.030) 6.109 5.927 ( -0.130 -0.506 2.225) 2.286 6.076 ( 2.201 5.212 2.477) 6.177 6.598 ( -0.163 -0.248 -3.088) 3.102 6.621 ( 0.390 0.639 -3.229) 3.314 7.420 ( 0.916 1.569 -0.507) 1.886 7.528 ( -0.884 -1.475 1.479) 2.269 8.008 ( -0.018 0.844 0.686) 1.088 8.116 ( 3.172 3.864 0.553) 5.030 16.588 ( -0.491 -0.457 0.589) 0.893 16.613 ( -0.049 0.155 0.143) 0.216 16.658 ( 0.729 0.257 -1.049) 1.303 16.750 ( 2.564 3.503 -1.897) 4.738 17.133 ( -0.147 -0.319 -0.056) 0.355 17.301 ( -4.906 -7.197 -1.475) 8.833 ======================= Grid point 375 (80/100) ======================= q-point: ( 0.22 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 6.030 2.644 2.550) 7.061 1.243 ( 0.884 6.451 3.644) 7.461 1.421 ( 4.868 -2.643 0.867) 5.607 1.653 ( -4.182 1.134 -0.957) 4.438 1.729 ( -5.567 -3.620 4.909) 8.258 1.906 ( -0.718 5.344 4.706) 7.157 2.145 ( 4.492 0.860 -0.707) 4.628 2.297 ( -1.899 -0.216 -3.314) 3.825 2.329 ( 2.530 -2.189 -4.560) 5.656 2.591 ( -0.659 1.098 0.964) 1.603 2.683 ( 1.976 0.842 0.199) 2.157 3.218 ( 2.793 3.299 1.411) 4.547 5.208 ( -2.508 -2.953 -4.680) 6.076 5.916 ( -1.654 1.389 2.192) 3.077 6.181 ( 4.650 2.599 3.170) 6.200 6.591 ( -0.421 0.046 -3.093) 3.122 6.637 ( 0.742 0.326 -3.440) 3.535 7.456 ( 1.194 1.428 -0.546) 1.940 7.492 ( -1.301 -1.532 1.833) 2.721 8.021 ( -0.254 1.912 0.852) 2.109 8.215 ( 3.848 2.215 0.561) 4.475 16.580 ( 0.226 -0.468 0.675) 0.852 16.615 ( 0.149 0.087 0.271) 0.321 16.669 ( -0.207 1.016 -0.971) 1.421 16.844 ( 4.172 2.163 -2.536) 5.340 17.106 ( -6.052 -5.366 -1.070) 8.159 17.132 ( -1.663 -1.548 -0.599) 2.350 ======================= Grid point 376 (81/100) ======================= q-point: ( 0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 0.239 2.877 -1.913) 3.463 1.333 ( 2.875 5.779 2.954) 7.098 1.426 ( -3.760 -1.262 0.257) 3.974 1.608 ( -3.913 -2.414 3.182) 5.592 1.648 ( 6.171 -1.821 4.851) 8.058 1.971 ( 0.804 4.743 2.959) 5.648 2.196 ( 0.059 -0.852 1.877) 2.062 2.245 ( 0.095 -1.629 -5.013) 5.272 2.366 ( 0.930 0.102 -3.545) 3.666 2.591 ( -1.022 1.759 0.852) 2.205 2.721 ( 1.587 -0.046 -0.027) 1.588 3.289 ( 1.783 1.914 1.476) 3.004 5.148 ( -1.496 -1.375 -5.332) 5.706 5.900 ( -2.430 2.866 2.258) 4.384 6.281 ( 4.880 -0.748 3.551) 6.082 6.585 ( -0.511 0.417 -3.100) 3.169 6.652 ( 0.786 -0.186 -3.718) 3.804 7.455 ( -0.963 -1.133 2.094) 2.568 7.488 ( 0.738 0.947 -0.582) 1.334 8.036 ( -0.893 2.847 0.867) 3.107 8.287 ( 2.630 0.038 1.032) 2.826 16.586 ( 0.838 -0.278 0.642) 1.091 16.621 ( 0.667 -0.541 0.173) 0.876 16.677 ( -0.232 1.951 -0.094) 1.967 16.909 ( -5.291 -4.259 1.746) 7.013 16.940 ( 1.871 0.611 -6.665) 6.950 17.120 ( -0.193 -0.376 -0.338) 0.541 ======================= Grid point 377 (82/100) ======================= q-point: ( 0.44 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -4.725 4.274 -0.164) 6.373 1.314 ( -5.023 -0.906 1.967) 5.470 1.440 ( 0.681 2.764 1.311) 3.134 1.555 ( 2.295 -1.431 2.729) 3.842 1.777 ( 7.400 -0.430 3.139) 8.050 2.007 ( 0.798 -0.924 1.497) 1.932 2.160 ( -0.379 -1.652 -3.587) 3.968 2.259 ( -0.690 1.907 0.640) 2.126 2.347 ( -2.256 -1.121 -2.203) 3.346 2.592 ( -0.973 2.042 0.687) 2.364 2.735 ( 0.372 -0.884 -0.035) 0.960 3.316 ( -0.222 0.427 1.494) 1.570 5.128 ( 0.065 -0.097 -5.615) 5.616 5.892 ( -2.145 3.572 2.340) 4.778 6.328 ( 2.537 -3.501 3.407) 5.505 6.582 ( -0.365 0.670 -3.112) 3.204 6.659 ( 0.367 -0.693 -3.883) 3.962 7.440 ( 0.193 -0.337 2.190) 2.224 7.499 ( -0.196 0.324 -0.597) 0.707 8.045 ( -1.558 3.063 0.740) 3.515 8.306 ( 0.436 -1.660 1.609) 2.353 16.600 ( 0.911 -0.213 0.462) 1.043 16.619 ( 0.073 -1.382 -0.255) 1.407 16.716 ( 2.115 2.327 2.034) 3.746 16.765 ( -5.648 -0.885 -0.687) 5.758 17.000 ( 2.993 -0.561 -5.840) 6.586 17.115 ( 0.066 -0.242 -0.321) 0.407 ======================= Grid point 379 (83/100) ======================= q-point: (-0.44 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -7.002 3.471 1.833) 8.027 1.251 ( -2.391 1.732 5.760) 6.472 1.417 ( -2.367 -0.552 -0.235) 2.442 1.653 ( 7.113 -0.309 2.540) 7.559 1.842 ( 2.050 -5.086 -3.162) 6.330 2.014 ( 1.847 -0.646 3.728) 4.210 2.147 ( -2.773 0.481 -2.754) 3.938 2.223 ( -2.760 0.217 -0.351) 2.791 2.309 ( -0.791 0.782 -1.352) 1.751 2.597 ( -0.747 1.723 0.569) 1.962 2.716 ( -0.970 -1.420 0.250) 1.738 3.289 ( -2.521 -0.604 1.457) 2.973 5.148 ( 1.922 0.600 -5.355) 5.721 5.898 ( -1.302 3.435 2.365) 4.369 6.296 ( -1.194 -4.780 2.904) 5.719 6.585 ( -0.089 0.651 -3.119) 3.188 6.651 ( -0.253 -0.775 -3.757) 3.844 7.456 ( 1.481 0.271 2.073) 2.562 7.487 ( -1.202 -0.161 -0.576) 1.343 8.042 ( -1.832 2.266 0.584) 2.972 8.272 ( -1.945 -2.117 1.784) 3.383 16.599 ( -0.172 -1.789 0.268) 1.817 16.611 ( 0.457 -0.172 0.270) 0.558 16.689 ( -2.850 0.998 -0.672) 3.093 16.790 ( 2.108 2.607 2.156) 3.986 17.044 ( 3.607 -1.042 -6.217) 7.263 17.119 ( 0.478 0.006 -0.272) 0.550 ======================= Grid point 380 (84/100) ======================= q-point: (-0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -6.103 2.755 4.488) 8.061 1.243 ( -2.243 2.518 9.062) 9.669 1.361 ( -2.591 -0.734 -3.080) 4.091 1.768 ( 5.663 -2.877 1.254) 6.474 1.794 ( 1.237 -5.688 -2.599) 6.375 1.991 ( -3.489 -4.527 4.891) 7.522 2.065 ( -4.060 3.564 -1.216) 5.537 2.236 ( -0.908 4.952 -1.223) 5.181 2.326 ( 2.549 -0.742 -4.063) 4.854 2.598 ( -0.593 0.679 0.649) 1.111 2.677 ( -1.794 -0.907 0.521) 2.077 3.219 ( -4.254 -0.818 1.397) 4.552 5.207 ( 3.764 0.735 -4.675) 6.047 5.913 ( -0.345 2.222 2.310) 3.224 6.196 ( -4.496 -3.829 2.508) 6.417 6.592 ( 0.165 0.352 -3.109) 3.133 6.636 ( -0.641 -0.432 -3.457) 3.542 7.456 ( -1.838 -0.302 -0.540) 1.939 7.492 ( 1.999 0.334 1.801) 2.711 8.028 ( -1.475 0.743 0.558) 1.744 8.200 ( -3.964 -1.072 1.298) 4.307 16.584 ( 0.268 -0.957 0.631) 1.177 16.614 ( 0.049 -0.012 0.122) 0.132 16.666 ( -1.283 1.086 -0.955) 1.934 16.809 ( -2.133 0.693 -0.465) 2.290 17.121 ( 1.822 0.132 -0.687) 1.952 17.150 ( 6.528 0.006 -2.818) 7.111 ======================= Grid point 385 (85/100) ======================= q-point: ( 0.22 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 5.029 4.678 0.087) 6.869 1.334 ( 5.050 1.258 7.021) 8.740 1.410 ( 2.510 2.231 0.461) 3.390 1.621 ( -4.936 -4.143 2.586) 6.943 1.696 ( -7.054 1.718 -2.368) 7.636 2.002 ( -0.774 0.565 4.356) 4.460 2.177 ( 3.844 3.538 1.231) 5.368 2.225 ( -1.670 -3.785 -6.246) 7.491 2.339 ( 2.501 0.972 -1.046) 2.880 2.620 ( 0.458 1.385 0.619) 1.585 2.697 ( 0.606 0.545 0.189) 0.837 3.282 ( 1.503 2.644 1.451) 3.370 5.155 ( -1.139 -1.974 -5.258) 5.731 5.954 ( 1.344 1.938 2.301) 3.295 6.219 ( -0.070 1.058 3.028) 3.208 6.595 ( 0.119 0.263 -3.155) 3.168 6.641 ( 0.081 0.059 -3.561) 3.562 7.458 ( -0.869 -1.494 2.066) 2.694 7.486 ( 0.727 1.240 -0.575) 1.549 8.072 ( 1.183 2.708 0.895) 3.087 8.248 ( 1.276 0.989 1.244) 2.038 16.578 ( -0.086 0.313 0.730) 0.799 16.611 ( -0.004 -0.392 0.209) 0.444 16.695 ( 0.320 1.361 -0.308) 1.431 16.856 ( 3.268 -1.458 0.073) 3.580 17.000 ( -5.436 -3.183 -4.971) 8.025 17.119 ( -0.235 -0.478 -0.223) 0.578 ======================= Grid point 386 (86/100) ======================= q-point: ( 0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 0.525 4.553 -0.046) 4.583 1.414 ( -4.555 0.005 1.690) 4.858 1.430 ( 3.409 1.698 4.071) 5.575 1.580 ( -5.901 0.692 0.655) 5.977 1.629 ( 7.300 0.797 1.412) 7.477 1.960 ( -0.311 -6.199 2.597) 6.728 2.174 ( -1.232 0.050 -4.895) 5.048 2.269 ( 1.900 3.204 0.997) 3.856 2.362 ( -0.280 -0.697 -0.891) 1.165 2.637 ( -0.865 2.395 0.518) 2.599 2.710 ( 1.000 -0.987 0.036) 1.406 3.321 ( 0.503 1.093 1.487) 1.913 5.128 ( -0.406 -0.578 -5.637) 5.681 5.988 ( -2.061 5.333 2.383) 6.194 6.225 ( 2.806 -4.449 3.115) 6.113 6.599 ( -0.357 0.939 -3.204) 3.357 6.641 ( 0.435 -0.820 -3.610) 3.728 7.435 ( -0.296 -0.758 2.249) 2.392 7.505 ( 0.205 0.630 -0.617) 0.905 8.114 ( -0.938 4.351 1.100) 4.584 8.265 ( 1.360 -2.152 1.383) 2.896 16.586 ( 0.514 0.246 0.663) 0.875 16.607 ( 0.082 -0.758 0.176) 0.783 16.708 ( 0.271 0.466 2.025) 2.095 16.852 ( -3.269 -0.333 -1.739) 3.717 16.937 ( 1.798 -1.231 -5.608) 6.016 17.112 ( -0.071 -0.350 -0.185) 0.402 ======================= Grid point 387 (87/100) ======================= q-point: (-0.56 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -6.681 0.765 -0.518) 6.744 1.330 ( -2.135 5.659 4.451) 7.509 1.480 ( -4.475 -0.408 1.170) 4.644 1.527 ( 4.919 0.752 3.958) 6.358 1.740 ( 3.139 -5.100 -2.899) 6.653 1.934 ( 4.954 -2.000 3.873) 6.599 2.175 ( 0.429 1.195 -5.428) 5.575 2.276 ( -3.830 -0.495 1.343) 4.089 2.345 ( -0.557 1.091 -0.305) 1.262 2.639 ( -1.476 1.901 0.451) 2.449 2.708 ( 0.221 -1.332 0.111) 1.355 3.321 ( -1.184 0.103 1.484) 1.901 5.128 ( 0.707 0.059 -5.642) 5.686 5.986 ( -3.701 4.457 2.457) 6.292 6.229 ( 2.820 -4.807 2.949) 6.305 6.600 ( -0.616 0.774 -3.210) 3.359 6.641 ( 0.465 -0.776 -3.612) 3.724 7.435 ( 0.804 -0.122 2.247) 2.389 7.505 ( -0.654 0.141 -0.616) 0.909 8.117 ( -3.095 2.934 0.975) 4.374 8.261 ( 0.797 -2.096 1.587) 2.747 16.590 ( -0.295 -0.712 0.505) 0.921 16.602 ( 0.445 -0.062 0.336) 0.561 16.716 ( 0.178 -0.713 2.251) 2.368 16.817 ( -1.523 3.849 -1.775) 4.503 16.965 ( 2.910 -2.660 -5.832) 7.040 17.112 ( 0.295 -0.084 -0.140) 0.337 ======================= Grid point 395 (88/100) ======================= q-point: ( 0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -0.000 0.000 5.116) 5.116 1.407 ( -1.131 -2.263 0.942) 2.699 1.407 ( 1.131 2.263 0.942) 2.699 1.637 ( -1.901 -3.801 -0.310) 4.261 1.637 ( 1.901 3.801 -0.310) 4.261 1.847 ( -0.000 0.000 2.857) 2.857 2.177 ( -0.000 -0.000 -4.649) 4.649 2.333 ( -0.968 -1.936 0.529) 2.229 2.333 ( 0.968 1.936 0.529) 2.229 2.681 ( -0.787 -1.575 0.245) 1.778 2.681 ( 0.787 1.575 0.245) 1.778 3.332 ( -0.000 -0.000 1.491) 1.491 5.122 ( -0.000 -0.000 -5.743) 5.743 6.110 ( -2.753 -5.505 2.682) 6.714 6.110 ( 2.753 5.505 2.682) 6.714 6.621 ( -0.479 -0.958 -3.388) 3.553 6.621 ( 0.479 0.958 -3.388) 3.553 7.427 ( -0.000 -0.000 2.316) 2.316 7.511 ( -0.000 -0.000 -0.632) 0.632 8.202 ( -1.685 -3.370 1.347) 4.002 8.202 ( 1.685 3.370 1.347) 4.002 16.594 ( -0.187 -0.373 0.450) 0.614 16.594 ( 0.187 0.373 0.450) 0.614 16.705 ( -0.000 -0.000 3.192) 3.192 16.889 ( -1.422 -2.844 -4.359) 5.395 16.889 ( 1.422 2.844 -4.359) 5.395 17.108 ( -0.000 -0.000 -0.101) 0.101 ======================= Grid point 455 (89/100) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 0.000 -0.000 0.000) 0.000 1.016 ( -0.000 0.000 0.000) 0.000 1.547 ( 0.000 0.000 0.000) 0.000 1.606 ( 0.000 -0.000 0.000) 0.000 1.606 ( 0.000 -0.000 0.000) 0.000 2.073 ( 0.000 0.000 0.000) 0.000 2.108 ( 0.000 0.000 -0.000) 0.000 2.296 ( 0.000 0.000 0.000) 0.000 2.296 ( 0.000 0.000 0.000) 0.000 2.598 ( 0.000 -0.000 0.000) 0.000 2.598 ( -0.000 -0.000 0.000) 0.000 3.047 ( 0.000 0.000 0.000) 0.000 5.357 ( 0.000 0.000 0.000) 0.000 5.973 ( 0.000 -0.000 0.000) 0.000 5.973 ( 0.000 0.000 0.000) 0.000 6.571 ( 0.000 0.000 0.000) 0.000 6.571 ( -0.000 0.000 0.000) 0.000 7.378 ( 0.000 0.000 0.000) 0.000 7.572 ( 0.000 0.000 0.000) 0.000 8.006 ( -0.000 -0.000 0.000) 0.000 8.006 ( 0.000 0.000 0.000) 0.000 16.614 ( -0.000 -0.000 0.000) 0.000 16.614 ( 0.000 0.000 0.000) 0.000 16.635 ( 0.000 0.000 0.000) 0.000 16.635 ( 0.000 -0.000 0.000) 0.000 17.140 ( 0.000 -0.000 0.000) 0.000 17.466 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 457 (90/100) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 1.549 0.894 -3.045) 3.532 1.092 ( 5.472 3.159 3.440) 7.194 1.428 ( -4.215 -2.433 -2.831) 5.630 1.628 ( 1.871 1.080 3.895) 4.454 1.771 ( 7.940 4.584 -1.262) 9.255 2.022 ( -4.040 -2.332 -1.177) 4.811 2.063 ( -2.800 -1.617 1.628) 3.620 2.281 ( -1.190 -0.687 -1.211) 1.832 2.309 ( 0.563 0.325 0.495) 0.817 2.598 ( -0.033 -0.019 0.113) 0.120 2.617 ( 1.465 0.846 -0.116) 1.695 3.084 ( 2.908 1.679 0.004) 3.358 5.316 ( -3.186 -1.839 -0.023) 3.679 5.962 ( -0.938 -0.542 -0.037) 1.084 6.025 ( 4.111 2.373 0.138) 4.749 6.568 ( -0.241 -0.139 0.002) 0.279 6.577 ( 0.463 0.267 -0.004) 0.535 7.391 ( 1.078 0.622 -0.002) 1.245 7.562 ( -0.828 -0.478 0.005) 0.956 8.008 ( 0.108 0.062 0.174) 0.214 8.052 ( 3.529 2.038 -0.234) 4.082 16.608 ( -0.342 -0.197 0.540) 0.668 16.610 ( -0.136 -0.079 -0.345) 0.379 16.639 ( 0.238 0.138 -0.401) 0.486 16.672 ( 2.820 1.628 0.143) 3.259 17.137 ( -0.191 -0.110 -0.006) 0.221 17.401 ( -5.177 -2.989 0.065) 5.978 ======================= Grid point 459 (91/100) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 1.890 1.091 -4.746) 5.224 1.217 ( 3.833 2.213 6.183) 7.604 1.383 ( 0.357 0.206 -7.119) 7.131 1.695 ( 3.630 2.096 6.622) 7.837 1.884 ( -4.127 -2.383 1.963) 5.154 1.923 ( 0.192 0.111 1.723) 1.737 2.052 ( 3.831 2.212 -2.507) 5.085 2.245 ( -1.718 -0.992 -2.487) 3.181 2.309 ( -0.531 -0.307 0.013) 0.613 2.595 ( -0.217 -0.125 0.214) 0.329 2.661 ( 2.104 1.215 -0.208) 2.438 3.171 ( 4.053 2.340 0.022) 4.680 5.222 ( -4.224 -2.439 -0.053) 4.877 5.933 ( -1.373 -0.792 -0.062) 1.586 6.155 ( 6.305 3.640 0.495) 7.297 6.560 ( -0.413 -0.238 0.015) 0.477 6.591 ( 0.661 0.381 -0.031) 0.763 7.425 ( 1.614 0.932 -0.008) 1.864 7.534 ( -1.441 -0.832 0.013) 1.664 8.011 ( 0.170 0.098 0.262) 0.327 8.157 ( 4.825 2.786 -0.542) 5.598 16.602 ( -0.132 -0.076 0.661) 0.679 16.610 ( 0.248 0.143 -0.353) 0.454 16.642 ( -0.026 -0.015 -0.449) 0.450 16.755 ( 3.740 2.159 -0.400) 4.337 17.131 ( -0.328 -0.189 -0.044) 0.381 17.236 ( -8.072 -4.661 0.559) 9.338 ======================= Grid point 461 (92/100) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 1.244 0.718 -4.125) 4.368 1.282 ( 2.235 1.290 1.010) 2.771 1.400 ( 0.340 0.196 -3.438) 3.461 1.745 ( -5.873 -3.391 2.704) 7.300 1.794 ( 4.332 2.501 6.962) 8.573 1.945 ( 1.589 0.918 3.220) 3.706 2.182 ( 5.280 3.048 -2.596) 6.626 2.201 ( -1.935 -1.117 -3.455) 4.115 2.290 ( -0.817 -0.472 -0.896) 1.301 2.588 ( -0.378 -0.218 0.246) 0.501 2.709 ( 1.730 0.999 -0.179) 2.005 3.263 ( 3.295 1.902 0.035) 3.805 5.131 ( -3.157 -1.823 -0.023) 3.645 5.901 ( -1.151 -0.664 -0.058) 1.330 6.303 ( 5.566 3.214 0.654) 6.460 6.550 ( -0.402 -0.232 0.023) 0.465 6.606 ( 0.541 0.313 -0.073) 0.629 7.462 ( 1.385 0.800 -0.012) 1.599 7.497 ( -1.506 -0.869 0.003) 1.739 8.015 ( 0.154 0.089 0.226) 0.288 8.265 ( 3.829 2.210 -0.613) 4.463 16.603 ( 0.210 0.121 0.665) 0.708 16.628 ( 1.356 0.783 -0.153) 1.573 16.637 ( -0.350 -0.202 -0.479) 0.626 16.830 ( 1.828 1.055 -2.168) 3.025 17.045 ( -6.971 -4.025 2.095) 8.318 17.123 ( -0.360 -0.208 -0.002) 0.416 ======================= Grid point 463 (93/100) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 0.401 0.231 -1.595) 1.661 1.319 ( 0.543 0.313 -2.436) 2.515 1.416 ( 1.299 0.750 1.079) 1.848 1.624 ( -3.555 -2.052 1.399) 4.336 1.881 ( 2.368 1.367 3.594) 4.516 1.983 ( 1.016 0.587 1.275) 1.733 2.158 ( -1.263 -0.729 -2.271) 2.699 2.265 ( 0.854 0.493 2.485) 2.674 2.284 ( 0.896 0.517 -3.874) 4.010 2.580 ( -0.202 -0.117 0.118) 0.262 2.739 ( 0.652 0.377 -0.057) 0.755 3.319 ( 1.250 0.722 0.018) 1.443 5.078 ( -1.129 -0.652 -0.000) 1.303 5.881 ( -0.442 -0.255 -0.024) 0.510 6.401 ( 2.232 1.288 0.319) 2.596 6.543 ( -0.168 -0.097 0.012) 0.194 6.615 ( 0.203 0.117 -0.053) 0.241 7.469 ( -0.681 -0.393 -0.004) 0.786 7.486 ( 0.539 0.311 -0.006) 0.622 8.018 ( 0.062 0.036 0.088) 0.114 8.330 ( 1.431 0.826 -0.271) 1.674 16.611 ( 0.395 0.228 0.527) 0.697 16.627 ( -0.450 -0.260 -0.454) 0.690 16.680 ( 2.963 1.711 0.460) 3.452 16.796 ( -4.049 -2.338 -2.360) 5.237 16.960 ( -0.434 -0.251 1.831) 1.898 17.116 ( -0.180 -0.104 -0.025) 0.210 ======================= Grid point 475 (94/100) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 1.245 2.156 0.000) 2.489 1.198 ( 3.451 5.977 0.000) 6.902 1.380 ( -0.679 -1.177 0.000) 1.359 1.660 ( 0.902 1.562 0.000) 1.803 1.896 ( 1.940 3.359 0.000) 3.879 1.947 ( -1.144 -1.982 0.000) 2.288 2.021 ( -0.609 -1.055 0.000) 1.218 2.271 ( -0.142 -0.246 0.000) 0.284 2.299 ( -0.747 -1.294 0.000) 1.495 2.600 ( 0.118 0.205 0.000) 0.237 2.645 ( 1.001 1.735 0.000) 2.003 3.146 ( 2.284 3.955 0.000) 4.567 5.249 ( -2.431 -4.210 0.000) 4.862 5.952 ( -0.252 -0.437 0.000) 0.504 6.104 ( 2.912 5.044 0.000) 5.824 6.564 ( -0.152 -0.263 0.000) 0.304 6.586 ( 0.312 0.540 0.000) 0.624 7.415 ( 0.898 1.555 0.000) 1.796 7.543 ( -0.764 -1.324 0.000) 1.528 8.015 ( 0.370 0.641 0.000) 0.740 8.122 ( 2.518 4.362 0.000) 5.037 16.595 ( -0.319 -0.552 0.000) 0.638 16.614 ( 0.073 0.127 0.000) 0.146 16.647 ( 0.301 0.521 0.000) 0.602 16.729 ( 2.051 3.552 0.000) 4.101 17.133 ( -0.175 -0.303 0.000) 0.349 17.287 ( -4.405 -7.630 0.000) 8.811 ======================= Grid point 477 (95/100) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 1.379 2.837 -2.373) 3.947 1.296 ( 0.663 5.229 2.775) 5.956 1.393 ( 1.343 1.026 -4.882) 5.166 1.686 ( 3.471 -2.959 4.417) 6.349 1.797 ( -4.541 -5.121 1.398) 6.985 1.997 ( -1.205 5.927 4.183) 7.354 2.092 ( 6.186 1.474 -4.147) 7.591 2.238 ( -2.796 -1.266 -1.462) 3.400 2.290 ( 0.866 0.078 -0.208) 0.894 2.603 ( -0.499 0.898 0.170) 1.041 2.684 ( 1.748 0.878 -0.146) 1.961 3.233 ( 2.838 3.309 0.018) 4.359 5.160 ( -2.771 -3.207 -0.020) 4.239 5.940 ( -1.675 1.407 -0.073) 2.188 6.222 ( 5.332 2.464 0.387) 5.887 6.558 ( -0.397 0.014 0.015) 0.397 6.598 ( 0.537 0.229 -0.035) 0.584 7.451 ( 1.177 1.424 -0.006) 1.847 7.510 ( -1.191 -1.422 0.004) 1.854 8.031 ( -0.116 1.857 0.180) 1.869 8.217 ( 3.579 2.692 -0.385) 4.495 16.590 ( 0.376 -0.533 0.182) 0.677 16.616 ( 0.146 -0.003 -0.077) 0.165 16.657 ( -0.169 1.382 -0.105) 1.396 16.806 ( 2.508 2.510 -0.750) 3.627 17.108 ( -6.119 -7.228 0.649) 9.493 17.125 ( -0.290 -0.388 0.080) 0.491 ======================= Grid point 479 (96/100) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 0.024 4.540 -1.960) 4.945 1.342 ( -1.422 4.011 -2.637) 5.006 1.414 ( 0.524 1.494 -0.180) 1.593 1.662 ( -3.929 -4.397 1.579) 6.104 1.755 ( 6.894 -3.867 5.265) 9.497 2.036 ( -1.131 4.945 3.057) 5.923 2.132 ( -0.744 -5.121 -4.147) 6.631 2.235 ( 3.390 1.802 0.420) 3.862 2.310 ( -0.539 2.239 -1.792) 2.918 2.601 ( -1.039 1.505 0.171) 1.837 2.720 ( 1.531 -0.027 -0.108) 1.535 3.304 ( 1.805 1.909 0.021) 2.627 5.094 ( -1.681 -1.554 -0.004) 2.289 5.925 ( -2.366 2.890 -0.070) 3.736 6.327 ( 5.138 -1.081 0.423) 5.268 6.551 ( -0.495 0.375 0.019) 0.621 6.608 ( 0.508 -0.152 -0.059) 0.534 7.476 ( -0.914 -1.045 0.004) 1.388 7.481 ( 0.741 0.932 -0.014) 1.191 8.047 ( -1.022 2.899 0.169) 3.079 8.294 ( 2.882 0.413 -0.393) 2.938 16.597 ( 0.888 -0.334 0.410) 1.033 16.618 ( 0.242 -0.593 -0.357) 0.734 16.679 ( 0.612 2.663 0.280) 2.747 16.838 ( -1.951 -0.483 -3.157) 3.743 16.958 ( -1.982 -3.886 2.823) 5.196 17.117 ( -0.219 -0.326 -0.025) 0.393 ======================= Grid point 481 (97/100) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -3.064 5.306 0.000) 6.127 1.336 ( -0.779 1.350 0.000) 1.559 1.449 ( -1.336 2.313 0.000) 2.671 1.585 ( 0.917 -1.589 0.000) 1.835 1.812 ( 3.198 -5.540 0.000) 6.397 2.053 ( -2.141 3.709 0.000) 4.283 2.082 ( 3.060 -5.300 -0.000) 6.120 2.294 ( -0.140 0.243 0.000) 0.280 2.306 ( -1.361 2.358 0.000) 2.723 2.599 ( -1.057 1.831 0.000) 2.114 2.734 ( 0.468 -0.810 0.000) 0.935 3.331 ( -0.238 0.412 0.000) 0.476 5.070 ( 0.076 -0.132 0.000) 0.153 5.918 ( -2.104 3.645 0.000) 4.209 6.370 ( 2.327 -4.030 0.000) 4.653 6.549 ( -0.360 0.623 0.000) 0.720 6.612 ( 0.250 -0.433 0.000) 0.500 7.462 ( 0.170 -0.294 0.000) 0.340 7.493 ( -0.180 0.311 0.000) 0.360 8.053 ( -1.790 3.101 0.000) 3.581 8.323 ( 0.843 -1.460 0.000) 1.685 16.610 ( 0.183 -0.318 -0.000) 0.367 16.611 ( 0.472 -0.818 0.000) 0.944 16.737 ( -1.405 2.434 0.000) 2.811 16.755 ( 0.292 -0.505 -0.000) 0.583 16.941 ( 0.932 -1.615 0.000) 1.864 17.113 ( 0.087 -0.150 0.000) 0.173 ======================= Grid point 497 (98/100) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 2.486 4.305 0.000) 4.971 1.405 ( 2.418 4.188 0.000) 4.836 1.433 ( 1.288 2.231 -0.000) 2.576 1.616 ( -1.252 -2.168 0.000) 2.504 1.691 ( -2.717 -4.705 0.000) 5.433 2.093 ( 1.027 1.779 0.000) 2.055 2.097 ( -1.775 -3.075 -0.000) 3.550 2.207 ( 1.328 2.300 0.000) 2.656 2.327 ( 1.154 2.000 0.000) 2.309 2.627 ( 0.651 1.127 0.000) 1.302 2.698 ( 0.335 0.580 0.000) 0.669 3.297 ( 1.533 2.655 0.000) 3.065 5.101 ( -1.292 -2.238 0.000) 2.585 5.980 ( 1.212 2.100 0.000) 2.424 6.255 ( 0.477 0.826 0.000) 0.954 6.560 ( 0.121 0.210 0.000) 0.242 6.600 ( 0.011 0.020 0.000) 0.023 7.479 ( -0.796 -1.381 -0.024) 1.594 7.479 ( 0.707 1.228 0.024) 1.417 8.081 ( 1.522 2.637 0.000) 3.045 8.261 ( 0.833 1.443 0.000) 1.667 16.586 ( 0.104 0.180 0.000) 0.208 16.613 ( -0.151 -0.261 0.000) 0.302 16.690 ( 0.950 1.646 0.000) 1.901 16.852 ( 0.969 1.679 0.000) 1.938 16.956 ( -3.915 -6.781 0.000) 7.830 17.117 ( -0.235 -0.406 0.000) 0.469 ======================= Grid point 499 (99/100) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 1.598 6.310 0.158) 6.511 1.406 ( -5.479 1.692 -2.363) 6.202 1.485 ( 2.653 3.576 0.938) 4.551 1.575 ( -3.546 -2.326 -0.876) 4.331 1.680 ( 6.056 -2.910 3.036) 7.372 1.987 ( -1.156 -7.707 -0.751) 7.829 2.110 ( -0.718 1.864 0.007) 1.997 2.288 ( 2.123 2.953 0.328) 3.652 2.346 ( -0.776 0.833 -0.543) 1.261 2.642 ( -0.857 2.189 0.045) 2.351 2.709 ( 0.957 -0.902 -0.033) 1.315 3.336 ( 0.511 1.090 0.004) 1.204 5.070 ( -0.464 -0.686 0.000) 0.828 6.014 ( -2.045 5.502 -0.044) 5.870 6.262 ( 2.904 -4.883 0.106) 5.683 6.564 ( -0.327 0.837 0.008) 0.898 6.600 ( 0.318 -0.631 -0.016) 0.707 7.458 ( -0.281 -0.691 -0.001) 0.746 7.498 ( 0.206 0.618 -0.002) 0.651 8.126 ( -1.017 4.420 0.071) 4.536 8.278 ( 1.470 -1.958 -0.109) 2.451 16.595 ( 0.580 0.087 0.162) 0.608 16.606 ( -0.132 -0.496 -0.169) 0.541 16.728 ( 1.473 1.583 0.402) 2.199 16.820 ( -4.433 -0.388 -1.612) 4.733 16.893 ( 1.893 -2.519 1.219) 3.379 17.110 ( -0.074 -0.275 -0.007) 0.284 ======================= Grid point 517 (100/100) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -1.728 -3.457 0.000) 3.865 1.416 ( 1.728 3.457 0.000) 3.865 1.435 ( -0.000 -0.000 0.000) 0.000 1.636 ( -1.128 -2.256 0.000) 2.522 1.636 ( 1.128 2.256 0.000) 2.522 1.874 ( 0.000 -0.000 0.000) 0.000 2.128 ( -0.000 -0.000 0.000) 0.000 2.338 ( -0.696 -1.391 0.000) 1.556 2.338 ( 0.696 1.391 0.000) 1.556 2.683 ( -0.731 -1.462 0.000) 1.635 2.683 ( 0.731 1.462 0.000) 1.635 3.348 ( -0.000 -0.000 0.000) 0.000 5.064 ( -0.000 -0.000 0.000) 0.000 6.141 ( -2.849 -5.699 0.000) 6.371 6.141 ( 2.849 5.699 0.000) 6.371 6.583 ( -0.409 -0.818 0.000) 0.914 6.583 ( 0.409 0.818 0.000) 0.914 7.450 ( -0.000 -0.000 0.000) 0.000 7.505 ( -0.000 -0.000 0.000) 0.000 8.216 ( -1.738 -3.476 0.000) 3.886 8.216 ( 1.738 3.476 0.000) 3.886 16.599 ( -0.115 -0.230 0.000) 0.257 16.599 ( 0.115 0.230 0.000) 0.257 16.738 ( 0.000 -0.000 0.000) 0.000 16.844 ( -0.986 -1.972 0.000) 2.205 16.844 ( 0.986 1.972 0.000) 2.205 17.107 ( -0.000 -0.000 0.000) 0.000 =================== 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 3/21870 10.0 52.049 52.049 30.938 -0.000 -0.000 -0.000 3/21870 20.0 12.943 12.943 7.659 -0.000 -0.000 -0.000 3/21870 30.0 7.062 7.062 4.242 -0.000 -0.000 -0.000 3/21870 40.0 4.944 4.944 3.070 -0.000 -0.000 -0.000 3/21870 50.0 3.842 3.842 2.485 -0.000 -0.000 -0.000 3/21870 60.0 3.158 3.158 2.128 -0.000 -0.000 -0.000 3/21870 70.0 2.689 2.689 1.883 -0.000 -0.000 -0.000 3/21870 80.0 2.349 2.349 1.702 -0.000 -0.000 -0.000 3/21870 90.0 2.095 2.095 1.564 -0.000 -0.000 -0.000 3/21870 100.0 1.901 1.901 1.458 -0.000 -0.000 -0.000 3/21870 110.0 1.751 1.751 1.377 -0.000 -0.000 -0.000 3/21870 120.0 1.634 1.634 1.314 -0.000 -0.000 -0.000 3/21870 130.0 1.542 1.542 1.267 -0.000 -0.000 -0.000 3/21870 140.0 1.469 1.469 1.231 -0.000 -0.000 -0.000 3/21870 150.0 1.410 1.410 1.203 -0.000 -0.000 -0.000 3/21870 160.0 1.361 1.361 1.180 -0.000 -0.000 -0.000 3/21870 170.0 1.320 1.320 1.162 -0.000 -0.000 -0.000 3/21870 180.0 1.285 1.285 1.146 -0.000 -0.000 -0.000 3/21870 190.0 1.254 1.254 1.132 -0.000 -0.000 -0.000 3/21870 200.0 1.226 1.226 1.119 -0.000 -0.000 -0.000 3/21870 210.0 1.200 1.200 1.107 -0.000 -0.000 -0.000 3/21870 220.0 1.176 1.176 1.094 -0.000 -0.000 -0.000 3/21870 230.0 1.153 1.153 1.081 0.000 -0.000 -0.000 3/21870 240.0 1.131 1.131 1.069 0.000 -0.000 -0.000 3/21870 250.0 1.110 1.110 1.056 0.000 -0.000 -0.000 3/21870 260.0 1.090 1.090 1.042 0.000 -0.000 -0.000 3/21870 270.0 1.070 1.070 1.029 0.000 -0.000 -0.000 3/21870 280.0 1.051 1.051 1.015 0.000 -0.000 -0.000 3/21870 290.0 1.032 1.032 1.001 0.000 -0.000 -0.000 3/21870 300.0 1.014 1.014 0.988 0.000 -0.000 -0.000 3/21870 310.0 0.996 0.996 0.974 0.000 -0.000 -0.000 3/21870 320.0 0.979 0.979 0.960 0.000 -0.000 -0.000 3/21870 330.0 0.962 0.962 0.946 0.000 -0.000 -0.000 3/21870 340.0 0.945 0.945 0.932 0.000 -0.000 -0.000 3/21870 350.0 0.928 0.928 0.918 0.000 -0.000 -0.000 3/21870 360.0 0.913 0.913 0.904 0.000 -0.000 -0.000 3/21870 370.0 0.897 0.897 0.891 0.000 -0.000 -0.000 3/21870 380.0 0.882 0.882 0.877 0.000 -0.000 -0.000 3/21870 390.0 0.867 0.867 0.864 0.000 -0.000 -0.000 3/21870 400.0 0.852 0.852 0.851 0.000 -0.000 -0.000 3/21870 410.0 0.838 0.838 0.839 0.000 -0.000 -0.000 3/21870 420.0 0.825 0.825 0.826 0.000 -0.000 -0.000 3/21870 430.0 0.811 0.811 0.814 0.000 -0.000 -0.000 3/21870 440.0 0.798 0.798 0.802 0.000 -0.000 -0.000 3/21870 450.0 0.785 0.785 0.790 0.000 -0.000 -0.000 3/21870 460.0 0.773 0.773 0.778 0.000 -0.000 -0.000 3/21870 470.0 0.761 0.761 0.767 0.000 -0.000 -0.000 3/21870 480.0 0.749 0.749 0.756 0.000 -0.000 -0.000 3/21870 490.0 0.738 0.738 0.745 0.000 -0.000 -0.000 3/21870 500.0 0.726 0.726 0.734 0.000 -0.000 -0.000 3/21870 510.0 0.715 0.715 0.724 0.000 -0.000 -0.000 3/21870 520.0 0.705 0.705 0.713 0.000 -0.000 -0.000 3/21870 530.0 0.694 0.694 0.703 0.000 -0.000 -0.000 3/21870 540.0 0.684 0.684 0.694 0.000 -0.000 -0.000 3/21870 550.0 0.674 0.674 0.684 0.000 -0.000 -0.000 3/21870 560.0 0.665 0.665 0.675 0.000 -0.000 -0.000 3/21870 570.0 0.656 0.656 0.666 0.000 -0.000 -0.000 3/21870 580.0 0.646 0.646 0.657 0.000 -0.000 -0.000 3/21870 590.0 0.637 0.637 0.648 0.000 -0.000 -0.000 3/21870 600.0 0.629 0.629 0.640 0.000 -0.000 -0.000 3/21870 610.0 0.620 0.620 0.631 0.000 -0.000 -0.000 3/21870 620.0 0.612 0.612 0.623 0.000 -0.000 -0.000 3/21870 630.0 0.604 0.604 0.615 0.000 -0.000 -0.000 3/21870 640.0 0.596 0.596 0.607 0.000 -0.000 -0.000 3/21870 650.0 0.588 0.588 0.600 0.000 -0.000 -0.000 3/21870 660.0 0.581 0.581 0.592 0.000 -0.000 -0.000 3/21870 670.0 0.573 0.573 0.585 0.000 -0.000 -0.000 3/21870 680.0 0.566 0.566 0.578 0.000 -0.000 -0.000 3/21870 690.0 0.559 0.559 0.571 0.000 -0.000 -0.000 3/21870 700.0 0.552 0.552 0.564 0.000 -0.000 -0.000 3/21870 710.0 0.546 0.546 0.557 0.000 -0.000 -0.000 3/21870 720.0 0.539 0.539 0.551 0.000 -0.000 -0.000 3/21870 730.0 0.533 0.533 0.544 0.000 -0.000 -0.000 3/21870 740.0 0.526 0.526 0.538 0.000 -0.000 -0.000 3/21870 750.0 0.520 0.520 0.532 0.000 -0.000 -0.000 3/21870 760.0 0.514 0.514 0.526 0.000 -0.000 -0.000 3/21870 770.0 0.508 0.508 0.520 0.000 -0.000 -0.000 3/21870 780.0 0.503 0.503 0.514 0.000 -0.000 -0.000 3/21870 790.0 0.497 0.497 0.509 0.000 -0.000 -0.000 3/21870 800.0 0.492 0.492 0.503 0.000 -0.000 -0.000 3/21870 810.0 0.486 0.486 0.498 0.000 -0.000 -0.000 3/21870 820.0 0.481 0.481 0.493 0.000 -0.000 -0.000 3/21870 830.0 0.476 0.476 0.487 0.000 -0.000 -0.000 3/21870 840.0 0.471 0.471 0.482 0.000 -0.000 -0.000 3/21870 850.0 0.466 0.466 0.477 0.000 -0.000 -0.000 3/21870 860.0 0.461 0.461 0.472 0.000 -0.000 -0.000 3/21870 870.0 0.456 0.456 0.467 0.000 -0.000 -0.000 3/21870 880.0 0.451 0.451 0.463 0.000 -0.000 -0.000 3/21870 890.0 0.447 0.447 0.458 0.000 -0.000 -0.000 3/21870 900.0 0.442 0.442 0.454 0.000 -0.000 -0.000 3/21870 910.0 0.438 0.438 0.449 0.000 -0.000 -0.000 3/21870 920.0 0.434 0.434 0.445 0.000 -0.000 -0.000 3/21870 930.0 0.429 0.429 0.440 0.000 -0.000 -0.000 3/21870 940.0 0.425 0.425 0.436 0.000 -0.000 -0.000 3/21870 950.0 0.421 0.421 0.432 0.000 -0.000 -0.000 3/21870 960.0 0.417 0.417 0.428 0.000 -0.000 -0.000 3/21870 970.0 0.413 0.413 0.424 0.000 -0.000 -0.000 3/21870 980.0 0.409 0.409 0.420 0.000 -0.000 -0.000 3/21870 990.0 0.406 0.406 0.416 0.000 -0.000 -0.000 3/21870 1000.0 0.402 0.402 0.412 0.000 -0.000 -0.000 3/21870 Thermal conductivity related properties were written into "kappa-m9910.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:46:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|