----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:25:48]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.883001849545221 1.664501893909119 4.877007173333327 b -2.883001849545215 1.664501893909119 4.877007173333327 c 0.000000000000003 -3.329003787818243 4.877007173333327 Atomic positions (fractional): *1 F 0.34092863122751 0.19045766925289 0.73374414361600 18.998 2 F 0.19045766925288 0.73374414361600 0.34092863122751 18.998 3 F 0.26625585638400 0.65907136877249 0.80954233074712 18.998 4 F 0.80954233074712 0.26625585638400 0.65907136877249 18.998 5 F 0.65907136877249 0.80954233074712 0.26625585638400 18.998 6 F 0.73374414361600 0.34092863122751 0.19045766925288 18.998 *7 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 *8 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.766003699090437 0.000000000000000 0.000000000000000 b -2.883001849545218 4.993505681727362 0.000000000000000 c 0.000000000000000 0.000000000000000 14.631021519999997 Atomic positions (fractional): *1 F 0.58588514986205 0.02129933774947 0.75504348136546 18.998 > 1 2 F 0.43541418788742 0.41411485013795 0.75504348136546 18.998 > 2 3 F 0.35463267108280 0.10208085455409 0.91162318530120 18.998 > 3 4 F 0.89791914544591 0.25255181652871 0.91162318530120 18.998 > 4 5 F 0.74744818347129 0.64536732891720 0.91162318530120 18.998 > 5 6 F 0.97870066225053 0.56458581211258 0.75504348136546 18.998 > 6 7 F 0.25255181652871 0.35463267108280 0.08837681469880 18.998 > 1 8 F 0.10208085455409 0.74744818347129 0.08837681469880 18.998 > 2 9 F 0.02129933774947 0.43541418788742 0.24495651863454 18.998 > 3 10 F 0.56458581211258 0.58588514986205 0.24495651863454 18.998 > 4 11 F 0.41411485013795 0.97870066225053 0.24495651863454 18.998 > 5 12 F 0.64536732891720 0.89791914544591 0.08837681469880 18.998 > 6 13 F 0.91921848319538 0.68796600441613 0.42171014803213 18.998 > 1 14 F 0.76874752122075 0.08078151680462 0.42171014803213 18.998 > 2 15 F 0.68796600441613 0.76874752122075 0.57828985196787 18.998 > 3 16 F 0.23125247877925 0.91921848319538 0.57828985196787 18.998 > 4 17 F 0.08078151680462 0.31203399558387 0.57828985196787 18.998 > 5 18 F 0.31203399558387 0.23125247877925 0.42171014803213 18.998 > 6 *19 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 7 20 Ca 0.66666666666667 0.33333333333333 0.33333333333333 40.078 > 7 21 Ca 0.33333333333333 0.66666666666667 0.66666666666667 40.078 > 7 *22 Sn 0.66666666666667 0.33333333333333 0.83333333333333 118.710 > 8 23 Sn 0.33333333333333 0.66666666666667 0.16666666666667 118.710 > 8 24 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.532007398180873 0.000000000000000 0.000000000000000 b -5.766003699090436 9.987011363454725 0.000000000000000 c 0.000000000000000 0.000000000000000 14.631021519999997 Atomic positions (fractional): *1 F 0.29294257493102 0.01064966887473 0.75504348136546 18.998 > 1 2 F 0.79294257493102 0.01064966887473 0.75504348136546 18.998 > 1 3 F 0.29294257493102 0.51064966887473 0.75504348136546 18.998 > 1 4 F 0.79294257493102 0.51064966887473 0.75504348136546 18.998 > 1 5 F 0.21770709394371 0.20705742506898 0.75504348136546 18.998 > 2 6 F 0.71770709394371 0.20705742506898 0.75504348136546 18.998 > 2 7 F 0.21770709394371 0.70705742506898 0.75504348136546 18.998 > 2 8 F 0.71770709394371 0.70705742506898 0.75504348136546 18.998 > 2 9 F 0.17731633554140 0.05104042727704 0.91162318530120 18.998 > 3 10 F 0.67731633554140 0.05104042727704 0.91162318530120 18.998 > 3 11 F 0.17731633554140 0.55104042727704 0.91162318530120 18.998 > 3 12 F 0.67731633554140 0.55104042727704 0.91162318530120 18.998 > 3 13 F 0.44895957272296 0.12627590826436 0.91162318530120 18.998 > 4 14 F 0.94895957272296 0.12627590826436 0.91162318530120 18.998 > 4 15 F 0.44895957272296 0.62627590826436 0.91162318530120 18.998 > 4 16 F 0.94895957272296 0.62627590826436 0.91162318530120 18.998 > 4 17 F 0.37372409173564 0.32268366445860 0.91162318530120 18.998 > 5 18 F 0.87372409173564 0.32268366445860 0.91162318530120 18.998 > 5 19 F 0.37372409173564 0.82268366445860 0.91162318530120 18.998 > 5 20 F 0.87372409173564 0.82268366445860 0.91162318530120 18.998 > 5 21 F 0.48935033112527 0.28229290605629 0.75504348136546 18.998 > 6 22 F 0.98935033112527 0.28229290605629 0.75504348136546 18.998 > 6 23 F 0.48935033112527 0.78229290605629 0.75504348136546 18.998 > 6 24 F 0.98935033112527 0.78229290605629 0.75504348136546 18.998 > 6 25 F 0.12627590826436 0.17731633554140 0.08837681469880 18.998 > 1 26 F 0.62627590826436 0.17731633554140 0.08837681469880 18.998 > 1 27 F 0.12627590826436 0.67731633554140 0.08837681469880 18.998 > 1 28 F 0.62627590826436 0.67731633554140 0.08837681469880 18.998 > 1 29 F 0.05104042727704 0.37372409173564 0.08837681469880 18.998 > 2 30 F 0.55104042727704 0.37372409173564 0.08837681469880 18.998 > 2 31 F 0.05104042727704 0.87372409173564 0.08837681469880 18.998 > 2 32 F 0.55104042727704 0.87372409173564 0.08837681469880 18.998 > 2 33 F 0.01064966887473 0.21770709394371 0.24495651863454 18.998 > 3 34 F 0.51064966887473 0.21770709394371 0.24495651863454 18.998 > 3 35 F 0.01064966887473 0.71770709394371 0.24495651863454 18.998 > 3 36 F 0.51064966887473 0.71770709394371 0.24495651863454 18.998 > 3 37 F 0.28229290605629 0.29294257493102 0.24495651863454 18.998 > 4 38 F 0.78229290605629 0.29294257493102 0.24495651863454 18.998 > 4 39 F 0.28229290605629 0.79294257493102 0.24495651863454 18.998 > 4 40 F 0.78229290605629 0.79294257493102 0.24495651863454 18.998 > 4 41 F 0.20705742506898 0.48935033112527 0.24495651863454 18.998 > 5 42 F 0.70705742506898 0.48935033112527 0.24495651863454 18.998 > 5 43 F 0.20705742506898 0.98935033112527 0.24495651863454 18.998 > 5 44 F 0.70705742506898 0.98935033112527 0.24495651863454 18.998 > 5 45 F 0.32268366445860 0.44895957272296 0.08837681469880 18.998 > 6 46 F 0.82268366445860 0.44895957272296 0.08837681469880 18.998 > 6 47 F 0.32268366445860 0.94895957272296 0.08837681469880 18.998 > 6 48 F 0.82268366445860 0.94895957272296 0.08837681469880 18.998 > 6 49 F 0.45960924159769 0.34398300220807 0.42171014803213 18.998 > 1 50 F 0.95960924159769 0.34398300220807 0.42171014803213 18.998 > 1 51 F 0.45960924159769 0.84398300220807 0.42171014803213 18.998 > 1 52 F 0.95960924159769 0.84398300220807 0.42171014803213 18.998 > 1 53 F 0.38437376061038 0.04039075840231 0.42171014803213 18.998 > 2 54 F 0.88437376061038 0.04039075840231 0.42171014803213 18.998 > 2 55 F 0.38437376061038 0.54039075840231 0.42171014803213 18.998 > 2 56 F 0.88437376061038 0.54039075840231 0.42171014803213 18.998 > 2 57 F 0.34398300220807 0.38437376061038 0.57828985196787 18.998 > 3 58 F 0.84398300220807 0.38437376061038 0.57828985196787 18.998 > 3 59 F 0.34398300220807 0.88437376061038 0.57828985196787 18.998 > 3 60 F 0.84398300220807 0.88437376061038 0.57828985196787 18.998 > 3 61 F 0.11562623938962 0.45960924159769 0.57828985196787 18.998 > 4 62 F 0.61562623938962 0.45960924159769 0.57828985196787 18.998 > 4 63 F 0.11562623938962 0.95960924159769 0.57828985196787 18.998 > 4 64 F 0.61562623938962 0.95960924159769 0.57828985196787 18.998 > 4 65 F 0.04039075840231 0.15601699779193 0.57828985196787 18.998 > 5 66 F 0.54039075840231 0.15601699779193 0.57828985196787 18.998 > 5 67 F 0.04039075840231 0.65601699779193 0.57828985196787 18.998 > 5 68 F 0.54039075840231 0.65601699779193 0.57828985196787 18.998 > 5 69 F 0.15601699779193 0.11562623938962 0.42171014803213 18.998 > 6 70 F 0.65601699779193 0.11562623938962 0.42171014803213 18.998 > 6 71 F 0.15601699779193 0.61562623938962 0.42171014803213 18.998 > 6 72 F 0.65601699779193 0.61562623938962 0.42171014803213 18.998 > 6 *73 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 7 74 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 7 75 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 7 76 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 7 77 Ca 0.33333333333333 0.16666666666667 0.33333333333333 40.078 > 7 78 Ca 0.83333333333333 0.16666666666667 0.33333333333333 40.078 > 7 79 Ca 0.33333333333333 0.66666666666667 0.33333333333333 40.078 > 7 80 Ca 0.83333333333333 0.66666666666667 0.33333333333333 40.078 > 7 81 Ca 0.16666666666667 0.33333333333333 0.66666666666667 40.078 > 7 82 Ca 0.66666666666667 0.33333333333333 0.66666666666667 40.078 > 7 83 Ca 0.16666666666667 0.83333333333333 0.66666666666667 40.078 > 7 84 Ca 0.66666666666667 0.83333333333333 0.66666666666667 40.078 > 7 *85 Sn 0.33333333333333 0.16666666666667 0.83333333333333 118.710 > 8 86 Sn 0.83333333333333 0.16666666666667 0.83333333333333 118.710 > 8 87 Sn 0.33333333333333 0.66666666666667 0.83333333333333 118.710 > 8 88 Sn 0.83333333333333 0.66666666666667 0.83333333333333 118.710 > 8 89 Sn 0.16666666666667 0.33333333333333 0.16666666666667 118.710 > 8 90 Sn 0.66666666666667 0.33333333333333 0.16666666666667 118.710 > 8 91 Sn 0.16666666666667 0.83333333333333 0.16666666666667 118.710 > 8 92 Sn 0.66666666666667 0.83333333333333 0.16666666666667 118.710 > 8 93 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 8 94 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 8 95 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 8 96 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.9737547 -0.0000001 0.0000000 0.0000001 1.9737547 0.0000000 0.0000000 0.0000000 1.9851531 -------------------------- Born effective charges -------------------------- 1 F -0.6786261 0.0365668 0.0302877 0.0326738 -1.3551660 -0.5144782 0.0197787 -0.5125780 -1.0329795 2 F -1.2160131 0.2775867 -0.4606951 0.2736937 -0.8177790 0.2310092 -0.4537949 0.2391601 -1.0329795 3 F -1.1560489 -0.3083140 0.4304074 -0.3122071 -0.8777431 0.2834690 0.4340162 0.2734179 -1.0329795 4 F -1.2160131 0.2775867 -0.4606951 0.2736937 -0.8177790 0.2310092 -0.4537949 0.2391601 -1.0329795 5 F -0.6786261 0.0365668 0.0302877 0.0326738 -1.3551660 -0.5144782 0.0197787 -0.5125780 -1.0329795 6 F -1.1560489 -0.3083140 0.4304074 -0.3122071 -0.8777431 0.2834690 0.4340162 0.2734179 -1.0329795 7 Ca 2.4969673 -0.1731594 0.0000000 0.1731594 2.4969673 0.0000000 0.0000000 0.0000000 2.5601597 8 Sn 3.6044088 0.1614803 0.0000000 -0.1614803 3.6044088 0.0000000 0.0000000 0.0000000 3.6377170 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 4920/4920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 620 Number of blocks in projector: 304 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: 284 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 80 Use standard eigh solver. Tree of FC basis block matrices: - (620, 606), data: False |-- (80, 77), data: True |-- (256, 252), data: True |-- (284, 277), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.012 Solver_block: 100 / 160 - Time: 0.347 Solver_block: 160 / 160 - Time: 0.229 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.593 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 4920/4920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 620 Number of blocks in projector: 304 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: 284 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 80 Use standard eigh solver. Tree of FC basis block matrices: - (620, 606), data: False |-- (80, 77), data: True |-- (256, 252), data: True |-- (284, 277), 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 20:25:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:25:54]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.883001849545221 1.664501893909119 4.877007173333327 b -2.883001849545215 1.664501893909119 4.877007173333327 c 0.000000000000003 -3.329003787818243 4.877007173333327 Atomic positions (fractional): 1 F 0.34092863122751 0.19045766925289 0.73374414361600 18.998 2 F 0.19045766925288 0.73374414361600 0.34092863122751 18.998 3 F 0.26625585638400 0.65907136877249 0.80954233074712 18.998 4 F 0.80954233074712 0.26625585638400 0.65907136877249 18.998 5 F 0.65907136877249 0.80954233074712 0.26625585638400 18.998 6 F 0.73374414361600 0.34092863122751 0.19045766925288 18.998 7 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 8 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.532007398180873 0.000000000000000 0.000000000000000 b -5.766003699090436 9.987011363454725 0.000000000000000 c 0.000000000000000 0.000000000000000 14.631021519999997 Atomic positions (fractional): 1 F 0.29294257493102 0.01064966887473 0.75504348136546 18.998 > 1 2 F 0.79294257493102 0.01064966887473 0.75504348136546 18.998 > 1 3 F 0.29294257493102 0.51064966887473 0.75504348136546 18.998 > 1 4 F 0.79294257493102 0.51064966887473 0.75504348136546 18.998 > 1 5 F 0.21770709394371 0.20705742506898 0.75504348136546 18.998 > 5 6 F 0.71770709394371 0.20705742506898 0.75504348136546 18.998 > 5 7 F 0.21770709394371 0.70705742506898 0.75504348136546 18.998 > 5 8 F 0.71770709394371 0.70705742506898 0.75504348136546 18.998 > 5 9 F 0.17731633554140 0.05104042727704 0.91162318530120 18.998 > 9 10 F 0.67731633554140 0.05104042727704 0.91162318530120 18.998 > 9 11 F 0.17731633554140 0.55104042727704 0.91162318530120 18.998 > 9 12 F 0.67731633554140 0.55104042727704 0.91162318530120 18.998 > 9 13 F 0.44895957272296 0.12627590826436 0.91162318530120 18.998 > 13 14 F 0.94895957272296 0.12627590826436 0.91162318530120 18.998 > 13 15 F 0.44895957272296 0.62627590826436 0.91162318530120 18.998 > 13 16 F 0.94895957272296 0.62627590826436 0.91162318530120 18.998 > 13 17 F 0.37372409173564 0.32268366445860 0.91162318530120 18.998 > 17 18 F 0.87372409173564 0.32268366445860 0.91162318530120 18.998 > 17 19 F 0.37372409173564 0.82268366445860 0.91162318530120 18.998 > 17 20 F 0.87372409173564 0.82268366445860 0.91162318530120 18.998 > 17 21 F 0.48935033112527 0.28229290605629 0.75504348136546 18.998 > 21 22 F 0.98935033112527 0.28229290605629 0.75504348136546 18.998 > 21 23 F 0.48935033112527 0.78229290605629 0.75504348136546 18.998 > 21 24 F 0.98935033112527 0.78229290605629 0.75504348136546 18.998 > 21 25 F 0.12627590826436 0.17731633554140 0.08837681469880 18.998 > 1 26 F 0.62627590826436 0.17731633554140 0.08837681469880 18.998 > 1 27 F 0.12627590826436 0.67731633554140 0.08837681469880 18.998 > 1 28 F 0.62627590826436 0.67731633554140 0.08837681469880 18.998 > 1 29 F 0.05104042727704 0.37372409173564 0.08837681469880 18.998 > 5 30 F 0.55104042727704 0.37372409173564 0.08837681469880 18.998 > 5 31 F 0.05104042727704 0.87372409173564 0.08837681469880 18.998 > 5 32 F 0.55104042727704 0.87372409173564 0.08837681469880 18.998 > 5 33 F 0.01064966887473 0.21770709394371 0.24495651863454 18.998 > 9 34 F 0.51064966887473 0.21770709394371 0.24495651863454 18.998 > 9 35 F 0.01064966887473 0.71770709394371 0.24495651863454 18.998 > 9 36 F 0.51064966887473 0.71770709394371 0.24495651863454 18.998 > 9 37 F 0.28229290605629 0.29294257493102 0.24495651863454 18.998 > 13 38 F 0.78229290605629 0.29294257493102 0.24495651863454 18.998 > 13 39 F 0.28229290605629 0.79294257493102 0.24495651863454 18.998 > 13 40 F 0.78229290605629 0.79294257493102 0.24495651863454 18.998 > 13 41 F 0.20705742506898 0.48935033112527 0.24495651863454 18.998 > 17 42 F 0.70705742506898 0.48935033112527 0.24495651863454 18.998 > 17 43 F 0.20705742506898 0.98935033112527 0.24495651863454 18.998 > 17 44 F 0.70705742506898 0.98935033112527 0.24495651863454 18.998 > 17 45 F 0.32268366445860 0.44895957272296 0.08837681469880 18.998 > 21 46 F 0.82268366445860 0.44895957272296 0.08837681469880 18.998 > 21 47 F 0.32268366445860 0.94895957272296 0.08837681469880 18.998 > 21 48 F 0.82268366445860 0.94895957272296 0.08837681469880 18.998 > 21 49 F 0.45960924159769 0.34398300220807 0.42171014803213 18.998 > 1 50 F 0.95960924159769 0.34398300220807 0.42171014803213 18.998 > 1 51 F 0.45960924159769 0.84398300220807 0.42171014803213 18.998 > 1 52 F 0.95960924159769 0.84398300220807 0.42171014803213 18.998 > 1 53 F 0.38437376061038 0.04039075840231 0.42171014803213 18.998 > 5 54 F 0.88437376061038 0.04039075840231 0.42171014803213 18.998 > 5 55 F 0.38437376061038 0.54039075840231 0.42171014803213 18.998 > 5 56 F 0.88437376061038 0.54039075840231 0.42171014803213 18.998 > 5 57 F 0.34398300220807 0.38437376061038 0.57828985196787 18.998 > 9 58 F 0.84398300220807 0.38437376061038 0.57828985196787 18.998 > 9 59 F 0.34398300220807 0.88437376061038 0.57828985196787 18.998 > 9 60 F 0.84398300220807 0.88437376061038 0.57828985196787 18.998 > 9 61 F 0.11562623938962 0.45960924159769 0.57828985196787 18.998 > 13 62 F 0.61562623938962 0.45960924159769 0.57828985196787 18.998 > 13 63 F 0.11562623938962 0.95960924159769 0.57828985196787 18.998 > 13 64 F 0.61562623938962 0.95960924159769 0.57828985196787 18.998 > 13 65 F 0.04039075840231 0.15601699779193 0.57828985196787 18.998 > 17 66 F 0.54039075840231 0.15601699779193 0.57828985196787 18.998 > 17 67 F 0.04039075840231 0.65601699779193 0.57828985196787 18.998 > 17 68 F 0.54039075840231 0.65601699779193 0.57828985196787 18.998 > 17 69 F 0.15601699779193 0.11562623938962 0.42171014803213 18.998 > 21 70 F 0.65601699779193 0.11562623938962 0.42171014803213 18.998 > 21 71 F 0.15601699779193 0.61562623938962 0.42171014803213 18.998 > 21 72 F 0.65601699779193 0.61562623938962 0.42171014803213 18.998 > 21 73 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 73 74 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 73 75 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 73 76 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 73 77 Ca 0.33333333333333 0.16666666666667 0.33333333333333 40.078 > 73 78 Ca 0.83333333333333 0.16666666666667 0.33333333333333 40.078 > 73 79 Ca 0.33333333333333 0.66666666666667 0.33333333333333 40.078 > 73 80 Ca 0.83333333333333 0.66666666666667 0.33333333333333 40.078 > 73 81 Ca 0.16666666666667 0.33333333333333 0.66666666666667 40.078 > 73 82 Ca 0.66666666666667 0.33333333333333 0.66666666666667 40.078 > 73 83 Ca 0.16666666666667 0.83333333333333 0.66666666666667 40.078 > 73 84 Ca 0.66666666666667 0.83333333333333 0.66666666666667 40.078 > 73 85 Sn 0.33333333333333 0.16666666666667 0.83333333333333 118.710 > 85 86 Sn 0.83333333333333 0.16666666666667 0.83333333333333 118.710 > 85 87 Sn 0.33333333333333 0.66666666666667 0.83333333333333 118.710 > 85 88 Sn 0.83333333333333 0.66666666666667 0.83333333333333 118.710 > 85 89 Sn 0.16666666666667 0.33333333333333 0.16666666666667 118.710 > 85 90 Sn 0.66666666666667 0.33333333333333 0.16666666666667 118.710 > 85 91 Sn 0.16666666666667 0.83333333333333 0.16666666666667 118.710 > 85 92 Sn 0.66666666666667 0.83333333333333 0.16666666666667 118.710 > 85 93 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 85 94 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 85 95 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 85 96 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.9737547 -0.0000001 0.0000000 0.0000001 1.9737547 0.0000000 0.0000000 0.0000000 1.9851531 -------------------------- Born effective charges -------------------------- 1 F -0.6786261 0.0365668 0.0302877 0.0326738 -1.3551660 -0.5144782 0.0197787 -0.5125780 -1.0329795 2 F -1.2160131 0.2775867 -0.4606951 0.2736937 -0.8177790 0.2310092 -0.4537949 0.2391601 -1.0329795 3 F -1.1560489 -0.3083140 0.4304074 -0.3122071 -0.8777431 0.2834690 0.4340162 0.2734179 -1.0329795 4 F -1.2160131 0.2775867 -0.4606951 0.2736937 -0.8177790 0.2310092 -0.4537949 0.2391601 -1.0329795 5 F -0.6786261 0.0365668 0.0302877 0.0326738 -1.3551660 -0.5144782 0.0197787 -0.5125780 -1.0329795 6 F -1.1560489 -0.3083140 0.4304074 -0.3122071 -0.8777431 0.2834690 0.4340162 0.2734179 -1.0329795 7 Ca 2.4969673 -0.1731594 0.0000000 0.1731594 2.4969673 0.0000000 0.0000000 0.0000000 2.5601597 8 Sn 3.6044088 0.1614803 0.0000000 -0.1614803 3.6044088 0.0000000 0.0000000 0.0000000 3.6377170 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000004 (xy) 0.00000004 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:26:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:26:00]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.883001849545221 1.664501893909119 4.877007173333327 b -2.883001849545215 1.664501893909119 4.877007173333327 c 0.000000000000003 -3.329003787818243 4.877007173333327 Atomic positions (fractional): 1 F 0.34092863122751 0.19045766925289 0.73374414361600 18.998 2 F 0.19045766925288 0.73374414361600 0.34092863122751 18.998 3 F 0.26625585638400 0.65907136877249 0.80954233074712 18.998 4 F 0.80954233074712 0.26625585638400 0.65907136877249 18.998 5 F 0.65907136877249 0.80954233074712 0.26625585638400 18.998 6 F 0.73374414361600 0.34092863122751 0.19045766925288 18.998 7 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 8 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.532007398180873 0.000000000000000 0.000000000000000 b -5.766003699090436 9.987011363454725 0.000000000000000 c 0.000000000000000 0.000000000000000 14.631021519999997 Atomic positions (fractional): 1 F 0.29294257493102 0.01064966887473 0.75504348136546 18.998 > 1 2 F 0.79294257493102 0.01064966887473 0.75504348136546 18.998 > 1 3 F 0.29294257493102 0.51064966887473 0.75504348136546 18.998 > 1 4 F 0.79294257493102 0.51064966887473 0.75504348136546 18.998 > 1 5 F 0.21770709394371 0.20705742506898 0.75504348136546 18.998 > 5 6 F 0.71770709394371 0.20705742506898 0.75504348136546 18.998 > 5 7 F 0.21770709394371 0.70705742506898 0.75504348136546 18.998 > 5 8 F 0.71770709394371 0.70705742506898 0.75504348136546 18.998 > 5 9 F 0.17731633554140 0.05104042727704 0.91162318530120 18.998 > 9 10 F 0.67731633554140 0.05104042727704 0.91162318530120 18.998 > 9 11 F 0.17731633554140 0.55104042727704 0.91162318530120 18.998 > 9 12 F 0.67731633554140 0.55104042727704 0.91162318530120 18.998 > 9 13 F 0.44895957272296 0.12627590826436 0.91162318530120 18.998 > 13 14 F 0.94895957272296 0.12627590826436 0.91162318530120 18.998 > 13 15 F 0.44895957272296 0.62627590826436 0.91162318530120 18.998 > 13 16 F 0.94895957272296 0.62627590826436 0.91162318530120 18.998 > 13 17 F 0.37372409173564 0.32268366445860 0.91162318530120 18.998 > 17 18 F 0.87372409173564 0.32268366445860 0.91162318530120 18.998 > 17 19 F 0.37372409173564 0.82268366445860 0.91162318530120 18.998 > 17 20 F 0.87372409173564 0.82268366445860 0.91162318530120 18.998 > 17 21 F 0.48935033112527 0.28229290605629 0.75504348136546 18.998 > 21 22 F 0.98935033112527 0.28229290605629 0.75504348136546 18.998 > 21 23 F 0.48935033112527 0.78229290605629 0.75504348136546 18.998 > 21 24 F 0.98935033112527 0.78229290605629 0.75504348136546 18.998 > 21 25 F 0.12627590826436 0.17731633554140 0.08837681469880 18.998 > 1 26 F 0.62627590826436 0.17731633554140 0.08837681469880 18.998 > 1 27 F 0.12627590826436 0.67731633554140 0.08837681469880 18.998 > 1 28 F 0.62627590826436 0.67731633554140 0.08837681469880 18.998 > 1 29 F 0.05104042727704 0.37372409173564 0.08837681469880 18.998 > 5 30 F 0.55104042727704 0.37372409173564 0.08837681469880 18.998 > 5 31 F 0.05104042727704 0.87372409173564 0.08837681469880 18.998 > 5 32 F 0.55104042727704 0.87372409173564 0.08837681469880 18.998 > 5 33 F 0.01064966887473 0.21770709394371 0.24495651863454 18.998 > 9 34 F 0.51064966887473 0.21770709394371 0.24495651863454 18.998 > 9 35 F 0.01064966887473 0.71770709394371 0.24495651863454 18.998 > 9 36 F 0.51064966887473 0.71770709394371 0.24495651863454 18.998 > 9 37 F 0.28229290605629 0.29294257493102 0.24495651863454 18.998 > 13 38 F 0.78229290605629 0.29294257493102 0.24495651863454 18.998 > 13 39 F 0.28229290605629 0.79294257493102 0.24495651863454 18.998 > 13 40 F 0.78229290605629 0.79294257493102 0.24495651863454 18.998 > 13 41 F 0.20705742506898 0.48935033112527 0.24495651863454 18.998 > 17 42 F 0.70705742506898 0.48935033112527 0.24495651863454 18.998 > 17 43 F 0.20705742506898 0.98935033112527 0.24495651863454 18.998 > 17 44 F 0.70705742506898 0.98935033112527 0.24495651863454 18.998 > 17 45 F 0.32268366445860 0.44895957272296 0.08837681469880 18.998 > 21 46 F 0.82268366445860 0.44895957272296 0.08837681469880 18.998 > 21 47 F 0.32268366445860 0.94895957272296 0.08837681469880 18.998 > 21 48 F 0.82268366445860 0.94895957272296 0.08837681469880 18.998 > 21 49 F 0.45960924159769 0.34398300220807 0.42171014803213 18.998 > 1 50 F 0.95960924159769 0.34398300220807 0.42171014803213 18.998 > 1 51 F 0.45960924159769 0.84398300220807 0.42171014803213 18.998 > 1 52 F 0.95960924159769 0.84398300220807 0.42171014803213 18.998 > 1 53 F 0.38437376061038 0.04039075840231 0.42171014803213 18.998 > 5 54 F 0.88437376061038 0.04039075840231 0.42171014803213 18.998 > 5 55 F 0.38437376061038 0.54039075840231 0.42171014803213 18.998 > 5 56 F 0.88437376061038 0.54039075840231 0.42171014803213 18.998 > 5 57 F 0.34398300220807 0.38437376061038 0.57828985196787 18.998 > 9 58 F 0.84398300220807 0.38437376061038 0.57828985196787 18.998 > 9 59 F 0.34398300220807 0.88437376061038 0.57828985196787 18.998 > 9 60 F 0.84398300220807 0.88437376061038 0.57828985196787 18.998 > 9 61 F 0.11562623938962 0.45960924159769 0.57828985196787 18.998 > 13 62 F 0.61562623938962 0.45960924159769 0.57828985196787 18.998 > 13 63 F 0.11562623938962 0.95960924159769 0.57828985196787 18.998 > 13 64 F 0.61562623938962 0.95960924159769 0.57828985196787 18.998 > 13 65 F 0.04039075840231 0.15601699779193 0.57828985196787 18.998 > 17 66 F 0.54039075840231 0.15601699779193 0.57828985196787 18.998 > 17 67 F 0.04039075840231 0.65601699779193 0.57828985196787 18.998 > 17 68 F 0.54039075840231 0.65601699779193 0.57828985196787 18.998 > 17 69 F 0.15601699779193 0.11562623938962 0.42171014803213 18.998 > 21 70 F 0.65601699779193 0.11562623938962 0.42171014803213 18.998 > 21 71 F 0.15601699779193 0.61562623938962 0.42171014803213 18.998 > 21 72 F 0.65601699779193 0.61562623938962 0.42171014803213 18.998 > 21 73 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 73 74 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 73 75 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 73 76 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 73 77 Ca 0.33333333333333 0.16666666666667 0.33333333333333 40.078 > 73 78 Ca 0.83333333333333 0.16666666666667 0.33333333333333 40.078 > 73 79 Ca 0.33333333333333 0.66666666666667 0.33333333333333 40.078 > 73 80 Ca 0.83333333333333 0.66666666666667 0.33333333333333 40.078 > 73 81 Ca 0.16666666666667 0.33333333333333 0.66666666666667 40.078 > 73 82 Ca 0.66666666666667 0.33333333333333 0.66666666666667 40.078 > 73 83 Ca 0.16666666666667 0.83333333333333 0.66666666666667 40.078 > 73 84 Ca 0.66666666666667 0.83333333333333 0.66666666666667 40.078 > 73 85 Sn 0.33333333333333 0.16666666666667 0.83333333333333 118.710 > 85 86 Sn 0.83333333333333 0.16666666666667 0.83333333333333 118.710 > 85 87 Sn 0.33333333333333 0.66666666666667 0.83333333333333 118.710 > 85 88 Sn 0.83333333333333 0.66666666666667 0.83333333333333 118.710 > 85 89 Sn 0.16666666666667 0.33333333333333 0.16666666666667 118.710 > 85 90 Sn 0.66666666666667 0.33333333333333 0.16666666666667 118.710 > 85 91 Sn 0.16666666666667 0.83333333333333 0.16666666666667 118.710 > 85 92 Sn 0.66666666666667 0.83333333333333 0.16666666666667 118.710 > 85 93 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 85 94 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 85 95 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 85 96 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 1.9737547 -0.0000001 0.0000000 0.0000001 1.9737547 0.0000000 0.0000000 0.0000000 1.9851531 -------------------------- Born effective charges -------------------------- 1 F -0.6786261 0.0365668 0.0302877 0.0326738 -1.3551660 -0.5144782 0.0197787 -0.5125780 -1.0329795 2 F -1.2160131 0.2775867 -0.4606951 0.2736937 -0.8177790 0.2310092 -0.4537949 0.2391601 -1.0329795 3 F -1.1560489 -0.3083140 0.4304074 -0.3122071 -0.8777431 0.2834690 0.4340162 0.2734179 -1.0329795 4 F -1.2160131 0.2775867 -0.4606951 0.2736937 -0.8177790 0.2310092 -0.4537949 0.2391601 -1.0329795 5 F -0.6786261 0.0365668 0.0302877 0.0326738 -1.3551660 -0.5144782 0.0197787 -0.5125780 -1.0329795 6 F -1.1560489 -0.3083140 0.4304074 -0.3122071 -0.8777431 0.2834690 0.4340162 0.2734179 -1.0329795 7 Ca 2.4969673 -0.1731594 0.0000000 0.1731594 2.4969673 0.0000000 0.0000000 0.0000000 2.5601597 8 Sn 3.6044088 0.1614803 0.0000000 -0.1614803 3.6044088 0.0000000 0.0000000 0.0000000 3.6377170 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 11 ] 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: 0.80, Number of G-points: 307, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/226) ======================= 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 2.98e-04 3.34e-04 Number of triplets: 226 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 1.647 ( 0.000 0.000 0.000) 0.000 1.647 ( 0.000 0.000 0.000) 0.000 3.143 ( 0.000 0.000 0.000) 0.000 3.940 ( 0.000 0.000 0.000) 0.000 3.940 ( 0.000 0.000 0.000) 0.000 4.194 ( 0.000 0.000 0.000) 0.000 5.469 ( 0.000 0.000 0.000) 0.000 5.469 ( 0.000 0.000 0.000) 0.000 5.557 ( 0.000 0.000 0.000) 0.000 6.721 ( 0.000 0.000 0.000) 0.000 7.019 ( 0.000 0.000 0.000) 0.000 7.019 ( 0.000 0.000 0.000) 0.000 8.478 ( 0.000 0.000 0.000) 0.000 8.504 ( 0.000 0.000 0.000) 0.000 8.504 ( 0.000 0.000 0.000) 0.000 14.247 ( 0.000 0.000 0.000) 0.000 14.247 ( 0.000 0.000 0.000) 0.000 16.345 ( 0.000 0.000 0.000) 0.000 16.355 ( 0.000 0.000 0.000) 0.000 16.355 ( 0.000 0.000 0.000) 0.000 17.985 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/226) ======================= q-point: ( 0.09 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 25.296 -4.704 13.048) 28.849 0.526 ( 28.310 12.045 -8.120) 31.819 0.566 ( 11.483 25.507 20.678) 34.786 1.729 ( 8.020 3.711 0.137) 8.838 1.745 ( 6.323 4.420 7.665) 10.875 3.157 ( 1.107 0.630 -0.007) 1.273 3.957 ( 1.199 1.040 -1.152) 1.961 4.001 ( 2.668 1.876 2.317) 4.001 4.244 ( 2.784 1.772 4.352) 5.462 5.483 ( 0.494 0.898 2.047) 2.289 5.579 ( 4.622 2.106 -3.962) 6.442 6.694 ( -2.342 -1.218 -1.279) 2.933 6.855 ( -12.446 -1.585 15.015) 19.567 7.021 ( -0.430 1.411 -0.434) 1.537 7.093 ( 9.954 -4.970 -2.602) 11.426 8.427 ( -6.261 -0.684 0.223) 6.303 8.475 ( -5.755 3.359 0.566) 6.688 9.184 ( 3.505 -4.346 -12.957) 14.109 14.243 ( -0.711 0.325 0.046) 0.783 14.249 ( 1.253 -1.869 0.085) 2.252 16.348 ( -0.046 0.294 0.302) 0.424 16.358 ( -0.116 0.793 -0.039) 0.803 17.994 ( 0.786 0.456 0.288) 0.953 18.528 ( -2.064 -0.856 2.334) 3.232 ======================= Grid point 2 (3/226) ======================= q-point: ( 0.18 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 19.431 -0.404 9.508) 21.636 0.995 ( 22.791 8.384 -1.032) 24.306 1.072 ( 12.308 20.198 14.859) 27.933 1.952 ( 14.340 5.011 -0.311) 15.193 1.994 ( 9.821 7.074 11.662) 16.808 3.179 ( 0.796 0.121 0.207) 0.832 3.979 ( 1.014 3.264 -3.527) 4.911 4.099 ( 3.620 2.864 5.944) 7.526 4.387 ( 7.652 4.461 5.877) 10.630 5.531 ( 2.835 0.721 3.139) 4.291 5.679 ( 7.201 3.953 -3.391) 8.887 6.599 ( -6.178 -2.263 -3.290) 7.356 6.746 ( -8.714 -1.955 10.962) 14.139 7.026 ( -1.209 2.978 -0.228) 3.222 7.188 ( 11.938 -7.394 -4.546) 14.760 8.276 ( -11.334 -1.308 -0.492) 11.420 8.393 ( -11.149 6.775 1.314) 13.112 9.089 ( 2.345 -10.554 -10.652) 15.177 14.232 ( -1.251 0.523 0.039) 1.356 14.253 ( 2.014 -3.169 0.053) 3.755 16.354 ( -0.030 0.436 0.528) 0.686 16.366 ( -0.052 1.511 -0.367) 1.556 18.018 ( 1.210 0.719 0.437) 1.473 18.493 ( -2.481 -0.890 0.710) 2.729 ======================= Grid point 3 (4/226) ======================= q-point: ( 0.27 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 11.576 2.151 6.878) 13.636 1.385 ( 18.745 4.777 1.376) 19.393 1.506 ( 11.415 16.273 10.876) 22.658 2.221 ( 12.424 6.003 -2.269) 13.984 2.289 ( 11.309 3.318 12.044) 16.852 3.178 ( -0.314 -1.883 0.791) 2.066 4.007 ( 1.715 4.644 -5.536) 7.426 4.248 ( 4.597 5.428 9.314) 11.720 4.620 ( 9.426 7.082 7.043) 13.733 5.625 ( 5.897 -0.846 3.910) 7.126 5.814 ( 7.884 4.166 -6.315) 10.927 6.434 ( -7.453 -2.943 -4.051) 8.979 6.689 ( -5.182 -1.034 10.212) 11.498 7.037 ( -2.001 4.649 1.511) 5.282 7.274 ( 12.217 -9.264 -5.204) 16.191 8.050 ( -13.602 -3.108 -1.234) 14.007 8.269 ( -15.494 10.676 1.227) 18.856 8.940 ( 1.679 -14.407 -9.973) 17.602 14.215 ( -1.436 0.531 -0.014) 1.531 14.255 ( 2.061 -3.473 -0.060) 4.039 16.361 ( -0.084 0.423 0.873) 0.973 16.378 ( 0.126 1.776 -0.642) 1.893 18.047 ( 1.136 0.710 0.401) 1.399 18.447 ( -2.427 -0.852 0.142) 2.576 ======================= Grid point 4 (5/226) ======================= q-point: ( 0.36 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 5.853 1.936 4.670) 7.733 1.681 ( 13.668 2.810 -0.282) 13.957 1.863 ( 9.127 12.650 9.565) 18.298 2.376 ( 3.515 3.378 -3.437) 5.965 2.532 ( 8.950 -0.137 7.124) 11.440 3.157 ( 0.234 -3.252 1.981) 3.815 4.047 ( 2.248 4.046 -4.935) 6.766 4.446 ( 5.546 5.975 9.294) 12.362 4.884 ( 7.852 10.601 7.321) 15.088 5.703 ( 3.464 -7.216 1.338) 8.116 5.888 ( 3.873 2.081 -7.977) 9.108 6.322 ( 0.263 -0.167 -4.786) 4.796 6.690 ( -2.551 0.647 9.988) 10.329 7.074 ( -2.128 6.318 4.941) 8.298 7.328 ( 7.719 -7.942 -4.379) 11.909 7.802 ( -9.024 -7.099 -2.931) 11.850 8.124 ( -16.724 13.069 0.291) 21.226 8.772 ( 0.979 -13.868 -7.455) 15.775 14.198 ( -1.146 0.376 -0.053) 1.208 14.254 ( 1.487 -2.662 -0.122) 3.051 16.369 ( -0.091 0.325 0.804) 0.872 16.392 ( 0.200 1.397 -0.560) 1.518 18.069 ( 0.714 0.488 0.245) 0.899 18.407 ( -1.718 -0.613 -0.035) 1.824 ======================= Grid point 5 (6/226) ======================= q-point: ( 0.45 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 1.766 0.688 1.673) 2.528 1.849 ( 5.226 1.158 -0.562) 5.382 2.132 ( 6.062 6.845 6.838) 11.417 2.360 ( -2.403 -1.153 -4.337) 5.091 2.641 ( 2.371 -0.587 1.679) 2.964 3.159 ( 0.923 -1.519 1.550) 2.359 4.081 ( 1.087 1.560 -1.894) 2.684 4.602 ( 2.865 2.315 3.827) 5.312 5.134 ( 4.701 10.239 5.891) 12.714 5.584 ( -2.958 -9.807 -4.844) 11.331 5.922 ( 1.637 0.708 -0.836) 1.970 6.351 ( 3.601 0.895 -3.656) 5.209 6.729 ( -0.063 0.593 4.916) 4.952 7.133 ( -1.073 4.109 4.205) 5.976 7.307 ( -1.484 -1.598 -1.125) 2.454 7.649 ( 1.297 -7.498 -3.338) 8.309 8.007 ( -8.909 7.503 -0.153) 11.649 8.653 ( 0.317 -6.093 -2.732) 6.685 14.187 ( -0.438 0.133 -0.030) 0.459 14.253 ( 0.535 -0.993 -0.061) 1.130 16.373 ( -0.038 0.124 0.322) 0.347 16.401 ( 0.094 0.526 -0.214) 0.576 18.081 ( 0.225 0.168 0.076) 0.291 18.385 ( -0.607 -0.221 -0.027) 0.646 ======================= Grid point 12 (7/226) ======================= q-point: ( 0.09 0.09 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.346 ( -6.592 14.701 5.299) 16.960 0.378 ( -2.322 12.739 10.185) 16.474 0.828 ( 3.429 25.269 19.378) 32.028 1.715 ( -0.362 4.291 4.558) 6.271 1.852 ( 0.060 12.688 11.388) 17.049 3.157 ( 0.005 1.374 0.054) 1.376 3.975 ( 0.936 1.850 0.194) 2.082 3.986 ( -0.095 2.810 2.260) 3.608 4.267 ( 0.160 1.379 5.666) 5.834 5.470 ( 2.030 -0.464 0.733) 2.207 5.538 ( -1.710 3.310 -2.897) 4.719 6.683 ( 0.233 -2.643 -2.397) 3.575 6.798 ( 2.523 -15.097 3.612) 15.727 7.015 ( 1.552 0.377 -0.748) 1.763 7.272 ( -10.044 5.273 11.335) 16.036 8.365 ( 15.129 -12.489 -4.031) 20.028 8.534 ( -0.873 3.070 2.524) 4.069 9.089 ( -8.751 7.557 -15.614) 19.429 14.244 ( -0.009 -0.015 -0.416) 0.416 14.308 ( -2.374 4.185 3.695) 6.066 16.353 ( 0.150 0.086 0.549) 0.576 16.359 ( 1.356 0.357 0.079) 1.405 17.995 ( 0.005 0.585 0.351) 0.683 18.498 ( 0.453 -6.855 -0.183) 6.872 ======================= Grid point 13 (8/226) ======================= q-point: ( 0.18 0.09 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 17.426 4.329 13.854) 22.679 0.716 ( 19.564 14.075 -1.756) 24.165 1.218 ( 6.561 18.373 15.914) 25.177 1.839 ( 6.255 5.089 4.981) 9.478 2.071 ( 2.774 13.535 11.779) 18.156 3.173 ( 0.258 0.639 -0.035) 0.690 3.999 ( -0.535 4.444 -0.774) 4.542 4.089 ( 5.554 2.556 4.810) 7.779 4.363 ( 4.728 3.484 6.954) 9.102 5.529 ( 0.703 0.385 3.224) 3.322 5.566 ( 7.000 2.592 -5.064) 9.020 6.616 ( -2.507 -4.037 -4.390) 6.469 6.773 ( 9.868 -16.645 0.994) 19.376 6.959 ( -9.159 -0.666 3.437) 9.805 7.207 ( -5.312 7.595 -1.051) 9.328 8.422 ( -0.319 -4.909 -0.408) 4.937 8.540 ( -0.444 -3.604 8.504) 9.247 8.925 ( -6.887 5.677 -16.195) 18.491 14.237 ( -0.479 0.962 -1.741) 2.046 14.306 ( -5.172 3.763 5.893) 8.697 16.360 ( 0.136 0.934 -0.324) 0.998 16.383 ( 0.328 0.648 1.176) 1.383 18.008 ( 0.894 0.313 0.138) 0.957 18.448 ( 2.350 -7.443 -2.814) 8.297 ======================= Grid point 14 (9/226) ======================= q-point: ( 0.27 0.09 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 16.737 2.685 12.987) 21.354 1.131 ( 19.130 10.494 -2.168) 21.927 1.575 ( 8.564 15.040 12.388) 21.284 2.049 ( 11.301 3.908 3.454) 12.447 2.307 ( 4.499 9.607 9.503) 14.242 3.161 ( -0.598 -2.385 -0.912) 2.623 4.026 ( -0.677 6.078 -2.838) 6.742 4.253 ( 6.762 3.286 7.211) 10.417 4.562 ( 9.783 3.774 8.178) 13.298 5.573 ( 2.707 0.646 1.924) 3.383 5.681 ( 7.645 2.351 -6.622) 10.384 6.473 ( -5.186 -5.214 -7.188) 10.284 6.805 ( 13.485 -18.387 1.495) 22.851 6.837 ( -7.276 -0.716 5.122) 8.927 7.201 ( -0.824 4.730 -6.646) 8.199 8.290 ( -13.940 2.178 2.654) 14.356 8.549 ( -3.261 -2.644 10.703) 11.497 8.768 ( -6.131 3.450 -14.506) 16.121 14.229 ( -0.204 1.023 -1.920) 2.185 14.296 ( -5.229 3.788 6.708) 9.311 16.370 ( 0.176 1.115 -0.404) 1.199 16.397 ( -0.345 0.914 1.041) 1.428 18.027 ( 1.530 -0.280 -0.295) 1.583 18.397 ( 2.636 -7.590 -4.096) 9.018 ======================= Grid point 15 (10/226) ======================= q-point: ( 0.36 0.09 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 8.037 5.022 8.644) 12.827 1.473 ( 15.764 5.549 0.360) 16.716 1.910 ( 8.264 13.188 9.833) 18.409 2.276 ( 10.706 2.695 -0.243) 11.042 2.484 ( 3.521 3.294 7.285) 8.736 3.110 ( 0.460 -5.475 -1.075) 5.598 4.057 ( -0.308 6.627 -3.093) 7.319 4.434 ( 6.845 2.468 6.302) 9.626 4.820 ( 12.833 1.371 7.486) 14.920 5.619 ( 1.097 -3.430 0.195) 3.606 5.752 ( 7.278 2.411 -11.281) 13.640 6.313 ( -3.217 -3.023 -6.213) 7.621 6.782 ( -2.635 -2.274 5.671) 6.654 6.895 ( 16.584 -16.124 2.030) 23.219 7.163 ( 0.615 -2.083 -9.848) 10.085 8.080 ( -19.832 5.607 4.695) 21.138 8.501 ( -14.109 10.445 3.546) 17.908 8.648 ( -1.177 -2.312 -2.088) 3.330 14.222 ( -0.387 0.266 -0.960) 1.069 14.297 ( -4.953 5.222 6.282) 9.553 16.379 ( -0.024 0.697 0.140) 0.712 16.403 ( -0.362 0.954 0.063) 1.022 18.045 ( 1.773 -0.979 -0.787) 2.173 18.347 ( 3.203 -7.408 -4.585) 9.283 ======================= Grid point 16 (11/226) ======================= q-point: ( 0.45 0.09 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 0.131 5.917 4.654) 7.529 1.730 ( 11.324 2.385 1.260) 11.641 2.170 ( 4.018 8.444 7.185) 11.793 2.371 ( -0.463 0.280 -1.182) 1.300 2.576 ( 4.471 -0.732 0.285) 4.540 3.096 ( 4.104 -4.888 0.820) 6.436 4.095 ( -0.295 5.129 -0.929) 5.221 4.566 ( 4.639 -0.349 1.376) 4.851 5.028 ( 11.078 -9.208 1.589) 14.493 5.542 ( -1.049 -1.535 -3.879) 4.302 5.849 ( 7.243 3.047 -6.033) 9.907 6.265 ( 2.541 0.666 -4.946) 5.600 6.767 ( -0.408 -3.238 3.834) 5.035 7.041 ( 8.968 -16.996 6.352) 20.239 7.071 ( 10.245 -5.671 -14.520) 18.653 7.837 ( -19.671 6.082 2.587) 20.751 8.357 ( -18.075 12.652 1.778) 22.135 8.673 ( -0.840 5.790 8.054) 9.955 14.210 ( -0.857 -0.542 0.822) 1.305 14.313 ( -4.492 7.089 4.707) 9.623 16.382 ( -0.397 -0.028 0.756) 0.854 16.404 ( -0.152 0.773 -0.961) 1.243 18.055 ( 1.714 -1.548 -1.155) 2.582 18.311 ( 4.179 -6.816 -4.479) 9.164 ======================= Grid point 17 (12/226) ======================= q-point: (-0.45 0.09 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -4.757 5.058 1.219) 7.050 1.869 ( 3.048 -0.048 1.853) 3.567 2.145 ( -8.064 -7.060 -6.078) 12.321 2.392 ( 0.174 2.247 7.974) 8.286 2.625 ( 2.842 1.371 -4.693) 5.655 3.132 ( 3.208 -1.916 -0.815) 3.825 4.120 ( -1.708 2.178 2.608) 3.803 4.558 ( -0.484 -5.875 -7.480) 9.524 4.968 ( 2.678 -18.552 -4.581) 19.296 5.634 ( 6.235 8.592 3.156) 11.075 5.918 ( 1.970 2.002 -4.253) 5.097 6.321 ( 5.843 0.558 -3.245) 6.707 6.725 ( -2.370 -3.843 -3.810) 5.908 6.933 ( 3.300 -12.418 -3.252) 13.254 7.226 ( 12.182 -8.809 4.599) 15.721 7.660 ( -4.741 4.272 -5.939) 8.717 8.202 ( -18.295 10.392 7.169) 22.228 8.806 ( -1.498 13.730 10.282) 17.218 14.199 ( -0.703 -1.035 2.067) 2.416 14.338 ( -4.491 8.376 3.020) 9.972 16.376 ( -0.551 -0.340 0.585) 0.872 16.399 ( -0.186 0.092 -0.911) 0.934 18.057 ( 1.484 -1.810 -1.265) 2.661 18.301 ( 5.120 -5.821 -3.920) 8.687 ======================= Grid point 18 (13/226) ======================= q-point: (-0.36 0.09 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -8.208 3.415 -1.490) 9.014 1.805 ( -9.465 -9.073 -7.324) 15.018 1.873 ( -8.532 -7.084 -0.394) 11.097 2.423 ( -3.058 -1.412 4.765) 5.835 2.605 ( -3.561 1.071 -6.067) 7.116 3.144 ( 1.609 0.352 -3.788) 4.131 4.109 ( -3.759 -0.764 5.942) 7.073 4.379 ( -3.184 -9.424 -11.748) 15.394 4.815 ( -1.658 -11.737 -3.239) 12.288 5.796 ( -0.410 5.294 -1.009) 5.405 5.917 ( 1.723 0.041 0.492) 1.793 6.374 ( 0.306 -1.126 2.643) 2.889 6.601 ( -1.531 0.249 -12.476) 12.572 6.888 ( 4.332 -11.378 1.532) 12.271 7.350 ( 7.330 -2.915 7.859) 11.135 7.725 ( 15.341 0.529 -13.303) 20.313 8.070 ( -15.778 8.224 11.804) 21.352 8.979 ( -1.476 14.527 9.352) 17.340 14.196 ( -0.134 -1.350 2.623) 2.954 14.357 ( -4.629 8.581 1.147) 9.818 16.368 ( -0.541 -0.117 0.219) 0.595 16.388 ( -0.363 -0.751 -0.173) 0.852 18.053 ( 0.976 -1.690 -1.108) 2.244 18.318 ( 5.729 -4.564 -3.092) 7.950 ======================= Grid point 19 (14/226) ======================= q-point: (-0.27 0.09 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -11.166 1.973 -3.603) 11.898 1.420 ( -12.167 -17.514 -12.548) 24.743 1.669 ( -15.359 -3.247 2.537) 15.903 2.301 ( -9.166 -6.045 -1.826) 11.131 2.454 ( -11.784 0.820 -5.041) 12.843 3.157 ( 2.301 0.720 -3.477) 4.231 4.068 ( -4.630 -2.545 7.764) 9.391 4.204 ( -2.727 -4.279 -7.713) 9.232 4.644 ( -6.340 -6.748 -4.621) 10.348 5.698 ( -6.771 -2.285 -4.485) 8.437 5.928 ( -5.377 -2.630 4.027) 7.214 6.394 ( 2.661 3.367 1.893) 4.691 6.578 ( 3.792 3.685 -9.760) 11.100 6.877 ( 5.640 -11.482 3.027) 13.145 7.487 ( 1.730 9.349 -3.925) 10.286 7.877 ( 14.548 -17.454 7.385) 23.892 8.074 ( -0.919 16.032 2.101) 16.195 9.121 ( -1.002 9.995 5.572) 11.487 14.202 ( 0.466 -1.494 2.606) 3.040 14.359 ( -4.498 7.353 -0.950) 8.672 16.361 ( -0.581 0.446 0.231) 0.768 16.374 ( -0.425 -1.292 0.625) 1.497 18.043 ( 0.128 -1.249 -0.781) 1.478 18.358 ( 5.844 -3.205 -2.140) 7.001 ======================= Grid point 20 (15/226) ======================= q-point: (-0.18 0.09 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -13.446 -17.945 -14.212) 26.548 1.101 ( -15.241 2.511 -2.849) 15.707 1.358 ( -22.186 -2.971 2.727) 22.549 2.047 ( -11.768 -5.471 -4.591) 13.766 2.201 ( -17.142 0.189 -2.518) 17.327 3.176 ( 1.102 0.214 -1.430) 1.818 4.023 ( -3.819 -2.021 6.551) 7.847 4.110 ( -3.490 0.255 -3.053) 4.644 4.447 ( -8.396 -3.330 -4.369) 10.033 5.553 ( -4.432 -3.736 -2.150) 6.183 5.789 ( -9.081 -2.032 1.246) 9.389 6.529 ( 6.900 3.585 2.016) 8.033 6.628 ( 4.141 3.361 -5.799) 7.878 6.891 ( 5.923 -9.193 2.356) 11.187 7.463 ( -9.648 10.326 -9.687) 17.134 8.042 ( 16.800 -19.386 20.462) 32.813 8.279 ( 5.892 17.516 -4.931) 19.127 9.191 ( 0.301 3.087 -0.395) 3.126 14.215 ( 0.857 -1.371 2.144) 2.685 14.336 ( -3.805 4.603 -2.960) 6.665 16.359 ( -0.623 -0.151 0.825) 1.045 16.363 ( -0.420 -0.140 0.858) 0.965 18.026 ( -0.717 -0.629 -0.379) 1.026 18.413 ( 5.194 -1.759 -1.070) 5.587 ======================= Grid point 21 (16/226) ======================= q-point: (-0.09 0.09 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( -16.401 -6.250 -5.921) 18.523 0.838 ( -20.969 8.026 -5.698) 23.164 0.966 ( -27.130 -3.755 7.733) 28.460 1.825 ( -9.876 -0.063 -1.317) 9.964 1.921 ( -16.181 0.047 0.278) 16.184 3.173 ( -0.900 0.031 -0.167) 0.916 3.995 ( -2.622 -0.223 3.163) 4.115 4.037 ( -4.545 0.602 -0.935) 4.679 4.296 ( -6.444 0.115 -0.370) 6.456 5.482 ( -1.158 -1.310 0.943) 1.986 5.658 ( -6.581 0.501 -0.670) 6.634 6.653 ( 4.376 0.005 0.765) 4.443 6.709 ( 5.756 1.346 2.282) 6.337 6.930 ( 5.216 -1.850 -0.756) 5.585 7.294 ( -10.904 1.690 -8.801) 14.114 8.263 ( 13.559 -10.417 14.729) 22.567 8.469 ( 2.323 11.336 -1.036) 11.618 9.190 ( 2.686 -1.719 -7.491) 8.142 14.230 ( 0.922 -0.798 1.299) 1.782 14.288 ( -2.465 0.723 -4.062) 4.806 16.352 ( -0.307 -0.708 0.977) 1.245 16.365 ( -0.679 0.817 0.761) 1.307 18.007 ( -1.090 -0.003 0.011) 1.090 18.473 ( 3.664 -0.052 0.543) 3.705 ======================= Grid point 23 (17/226) ======================= q-point: ( 0.09 0.18 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -18.215 15.730 -4.541) 24.491 0.786 ( -22.744 2.445 16.355) 28.120 1.127 ( -1.748 19.088 15.308) 24.530 1.865 ( -7.441 7.002 5.470) 11.590 2.083 ( -3.328 14.841 13.093) 20.069 3.177 ( -0.699 1.214 0.014) 1.401 3.944 ( 1.740 -0.080 -1.262) 2.151 4.086 ( -4.196 2.799 4.120) 6.513 4.365 ( -4.624 4.505 6.160) 8.923 5.485 ( -4.090 -0.991 0.461) 4.234 5.608 ( -4.714 3.589 -1.783) 6.187 6.599 ( 3.329 -4.815 -4.549) 7.413 6.722 ( -4.994 -12.390 1.064) 13.401 6.951 ( 5.161 -0.945 0.747) 5.300 7.492 ( 0.256 15.011 9.555) 17.796 7.976 ( 5.381 -20.901 -15.108) 26.345 8.543 ( 6.407 1.710 7.023) 9.659 9.165 ( -0.406 6.206 -8.037) 10.162 14.236 ( 0.641 -1.002 1.009) 1.560 14.377 ( 3.785 8.197 4.287) 9.995 16.340 ( 0.355 -0.104 -0.349) 0.509 16.359 ( -0.058 0.154 0.502) 0.529 18.007 ( -0.869 0.280 0.105) 0.919 18.435 ( -2.123 -8.009 -3.047) 8.828 ======================= Grid point 24 (18/226) ======================= q-point: ( 0.18 0.18 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -4.317 12.293 4.483) 13.779 0.702 ( -1.916 9.923 8.273) 13.061 1.385 ( 2.949 14.151 14.058) 20.163 1.909 ( -1.812 8.406 7.464) 11.387 2.263 ( -1.228 13.967 11.323) 18.022 3.177 ( -0.276 -0.175 -0.313) 0.453 4.011 ( 5.553 0.399 1.876) 5.875 4.083 ( -1.772 4.579 1.476) 5.127 4.406 ( -0.369 4.474 6.480) 7.883 5.468 ( 3.085 -0.493 0.188) 3.129 5.570 ( -2.536 2.453 -0.699) 3.597 6.538 ( -1.236 -14.439 -3.750) 14.969 6.566 ( 2.417 -5.920 -4.394) 7.758 7.023 ( 1.131 1.049 -0.310) 1.574 7.319 ( -10.031 -11.834 -7.463) 17.215 8.144 ( 17.286 0.960 4.501) 17.888 8.647 ( -1.348 4.255 4.057) 6.032 9.108 ( -8.734 8.056 -4.384) 12.665 14.239 ( 0.026 0.089 -0.502) 0.510 14.498 ( -3.848 9.180 7.688) 12.577 16.363 ( 0.446 0.146 0.655) 0.806 16.369 ( 1.948 0.786 -0.163) 2.107 17.998 ( 0.033 -0.586 -0.502) 0.773 18.299 ( 0.809 -11.257 -5.718) 12.652 ======================= Grid point 25 (19/226) ======================= q-point: ( 0.27 0.18 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 12.710 4.019 12.245) 18.101 0.954 ( 15.676 13.594 -1.129) 20.780 1.650 ( 6.485 10.871 11.516) 17.113 2.030 ( 1.750 7.693 6.758) 10.388 2.431 ( -0.385 11.599 9.176) 14.795 3.141 ( -1.300 -4.167 -1.868) 4.749 4.083 ( -0.295 4.980 -0.117) 4.990 4.182 ( 8.241 1.230 3.420) 9.007 4.511 ( 4.793 1.659 6.148) 7.970 5.537 ( 5.225 2.331 -6.723) 8.828 5.577 ( 1.434 0.228 2.717) 3.081 6.356 ( 1.682 -17.434 -9.124) 19.748 6.525 ( 4.225 -8.801 -2.616) 10.107 6.931 ( -6.226 -7.273 -2.258) 9.837 7.135 ( 1.778 -5.116 -7.616) 9.345 8.411 ( 6.325 7.549 8.017) 12.700 8.631 ( -7.955 2.133 6.096) 10.247 9.011 ( -12.371 11.941 -1.815) 17.289 14.234 ( -0.378 0.937 -1.491) 1.801 14.538 ( -8.876 10.544 10.711) 17.456 16.373 ( 0.270 1.058 -0.641) 1.266 16.404 ( 1.061 0.089 0.974) 1.443 17.992 ( 1.209 -1.730 -1.274) 2.465 18.194 ( 5.117 -13.037 -7.954) 16.106 ======================= Grid point 26 (20/226) ======================= q-point: ( 0.36 0.18 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 15.472 0.140 9.022) 17.911 1.347 ( 16.087 12.980 1.133) 20.701 1.936 ( 9.477 10.708 7.396) 16.099 2.177 ( 5.151 4.111 5.199) 8.394 2.563 ( -1.482 7.811 7.157) 10.697 3.040 ( -1.151 -8.343 -3.672) 9.188 4.122 ( -0.957 6.890 -1.120) 7.045 4.351 ( 9.000 -0.566 3.816) 9.792 4.644 ( 9.575 -5.074 2.984) 11.240 5.574 ( 1.148 -3.960 -8.334) 9.298 5.607 ( 4.685 3.888 -3.908) 7.234 6.208 ( 5.196 -12.780 -7.192) 15.558 6.524 ( 9.698 -12.831 -0.017) 16.084 6.786 ( -0.313 -7.959 -3.942) 8.887 7.069 ( -1.246 -2.962 -5.935) 6.749 8.471 ( -16.497 8.809 2.163) 18.826 8.634 ( 1.911 3.303 13.196) 13.737 8.918 ( -14.771 15.507 2.032) 21.513 14.227 ( -0.464 1.048 -1.595) 1.964 14.558 ( -10.372 11.778 12.180) 19.866 16.383 ( 0.279 1.161 -0.942) 1.521 16.415 ( -0.154 -0.191 0.774) 0.812 17.989 ( 2.218 -2.630 -1.848) 3.905 18.119 ( 7.439 -13.507 -9.067) 17.888 ======================= Grid point 27 (21/226) ======================= q-point: ( 0.45 0.18 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 12.629 0.194 4.990) 13.581 1.656 ( 6.586 10.964 4.066) 13.420 2.196 ( 6.719 8.675 -0.309) 10.977 2.326 ( 6.879 -0.686 6.488) 9.481 2.570 ( -4.742 0.215 -0.406) 4.764 2.971 ( 4.235 -6.375 -0.155) 7.655 4.165 ( -1.275 6.744 0.279) 6.869 4.471 ( 5.685 -2.995 -0.778) 6.473 4.719 ( 11.014 -15.565 -2.993) 19.301 5.485 ( 2.058 -2.980 -7.127) 7.994 5.721 ( 7.491 4.616 -5.067) 10.154 6.189 ( 4.813 -3.467 -3.961) 7.132 6.603 ( 14.615 -15.917 3.808) 21.942 6.719 ( 5.232 -8.065 -6.684) 11.708 6.971 ( -3.590 -1.456 -4.749) 6.129 8.232 ( -21.365 4.086 1.373) 21.795 8.708 ( -8.489 6.118 5.846) 11.986 8.917 ( -9.096 19.633 12.009) 24.747 14.218 ( -0.526 0.489 -0.854) 1.116 14.577 ( -10.676 12.498 11.412) 20.010 16.389 ( 0.026 0.705 -0.496) 0.862 16.409 ( -0.531 -0.153 -0.150) 0.572 17.990 ( 2.501 -2.884 -2.026) 4.322 18.074 ( 9.203 -12.724 -8.760) 17.982 ======================= Grid point 28 (22/226) ======================= q-point: ( 0.55 0.18 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 2.013 3.961 2.294) 5.000 1.820 ( 3.005 4.540 3.788) 6.632 2.153 ( -7.531 -10.176 -7.936) 14.942 2.443 ( 4.184 -2.217 5.757) 7.454 2.564 ( 2.277 6.900 -3.078) 7.892 3.026 ( 5.893 -3.324 0.971) 6.835 4.203 ( -2.122 4.645 3.258) 6.058 4.416 ( 0.836 -10.725 -12.058) 16.159 4.711 ( 7.983 -14.249 0.174) 16.334 5.559 ( 10.007 3.284 -2.903) 10.925 5.835 ( 6.022 2.521 -5.519) 8.549 6.227 ( 4.310 0.220 -2.550) 5.012 6.624 ( 1.791 -6.560 -6.564) 9.452 6.786 ( 14.327 -21.074 13.880) 29.017 6.925 ( 5.158 4.820 -10.976) 13.050 7.915 ( -21.777 3.117 -1.862) 22.077 8.609 ( -14.996 7.483 6.230) 17.880 9.066 ( -4.913 17.179 12.095) 21.576 14.209 ( -0.526 -0.298 0.414) 0.733 14.584 ( -10.307 11.799 8.252) 17.707 16.389 ( -0.541 -0.037 0.863) 1.019 16.398 ( -0.334 0.383 -1.431) 1.518 17.990 ( 2.769 -3.164 -2.331) 4.807 18.074 ( 9.966 -10.041 -6.592) 15.608 ======================= Grid point 29 (23/226) ======================= q-point: (-0.36 0.18 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( -8.301 5.555 -0.070) 9.989 1.775 ( -8.832 -14.490 -11.023) 20.236 1.922 ( -1.859 -3.175 3.638) 5.174 2.494 ( -0.298 -1.849 5.640) 5.943 2.604 ( -1.452 4.005 -5.836) 7.226 3.072 ( 3.607 -1.930 -2.906) 5.018 4.215 ( -3.909 1.307 6.120) 7.378 4.245 ( 0.177 -7.942 -10.658) 13.293 4.701 ( 3.044 -8.782 0.430) 9.305 5.758 ( 10.222 3.945 -1.622) 11.076 5.865 ( 1.773 -0.691 -6.781) 7.043 6.294 ( 5.539 -0.784 -0.653) 5.632 6.542 ( 0.278 -2.746 -7.094) 7.612 6.836 ( 0.176 -7.314 10.091) 12.464 7.116 ( 20.084 -7.430 2.686) 21.583 7.634 ( -11.876 5.309 -9.486) 16.100 8.471 ( -16.038 7.577 7.386) 19.214 9.193 ( -3.966 11.578 7.771) 14.497 14.203 ( -0.346 -0.990 1.666) 1.969 14.563 ( -9.190 9.208 3.324) 13.427 16.386 ( -0.827 0.511 0.773) 1.242 16.387 ( -0.379 0.048 -0.509) 0.636 17.995 ( 2.902 -2.554 -1.843) 4.282 18.119 ( 9.519 -6.758 -3.982) 12.335 ======================= Grid point 30 (24/226) ======================= q-point: (-0.27 0.18 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -12.236 -14.008 -10.965) 21.591 1.520 ( -11.959 3.452 0.003) 12.447 1.852 ( -8.365 -2.267 3.303) 9.275 2.411 ( -10.297 -3.236 1.039) 10.844 2.555 ( -3.399 1.255 -4.675) 5.914 3.085 ( 3.303 -0.577 -4.579) 5.675 4.159 ( -0.453 -1.958 -0.587) 2.093 4.197 ( -4.832 1.366 4.679) 6.864 4.643 ( -2.432 -4.334 -1.603) 5.222 5.741 ( -5.642 -3.927 -3.736) 7.823 5.940 ( 5.068 1.576 -1.424) 5.495 6.367 ( 5.366 -2.811 1.740) 6.303 6.520 ( 1.950 4.579 -7.882) 9.322 6.795 ( -3.483 -4.378 5.335) 7.731 7.391 ( 16.433 -12.264 20.023) 28.660 7.568 ( 6.395 7.987 -20.833) 23.210 8.358 ( -12.116 9.297 6.414) 16.564 9.235 ( -3.305 3.534 1.479) 5.060 14.201 ( -0.021 -1.429 2.432) 2.821 14.502 ( -7.387 5.242 -1.969) 9.269 16.374 ( -0.452 -0.529 -0.093) 0.702 16.389 ( -1.016 1.398 1.491) 2.283 18.010 ( 2.038 -1.231 -0.804) 2.513 18.199 ( 8.555 -3.472 -1.471) 9.349 ======================= Grid point 31 (25/226) ======================= q-point: (-0.18 0.18 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -14.444 -4.977 -3.607) 15.697 1.352 ( -13.709 4.502 -0.104) 14.430 1.662 ( -15.898 -1.566 3.775) 16.415 2.192 ( -12.730 -1.187 -1.566) 12.881 2.423 ( -11.453 0.732 -2.998) 11.861 3.123 ( 4.170 0.073 -2.233) 4.730 4.130 ( -4.869 -1.730 6.702) 8.463 4.174 ( -3.405 4.021 0.973) 5.358 4.537 ( -6.921 0.586 -1.274) 7.061 5.588 ( -5.853 -4.032 -0.561) 7.129 5.923 ( -6.649 0.461 -0.724) 6.704 6.456 ( 6.975 -1.976 2.760) 7.757 6.577 ( 3.644 4.714 -3.807) 7.071 6.767 ( 1.916 -1.830 1.346) 2.972 7.547 ( -1.692 10.205 -19.440) 22.021 7.712 ( 19.687 -19.035 24.662) 36.853 8.384 ( -0.863 14.206 0.814) 14.256 9.170 ( -2.060 -4.866 -6.095) 8.067 14.206 ( 0.378 -1.427 2.436) 2.848 14.405 ( -5.313 1.068 -5.786) 7.927 16.363 ( -0.422 -0.827 0.798) 1.224 16.395 ( -1.132 1.528 1.183) 2.239 18.023 ( 0.578 -0.055 0.047) 0.582 18.304 ( 7.092 -0.356 0.864) 7.153 ======================= Grid point 32 (26/226) ======================= q-point: (-0.09 0.18 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -14.035 10.781 7.544) 19.238 1.176 ( -15.558 7.983 -0.631) 17.498 1.382 ( -22.021 -0.461 6.571) 22.985 2.016 ( -10.951 5.211 1.617) 12.235 2.196 ( -16.072 1.073 0.026) 16.108 3.168 ( 1.835 0.092 -0.237) 1.852 4.069 ( -4.782 -0.997 1.408) 5.083 4.135 ( -5.865 1.814 2.754) 6.729 4.444 ( -8.488 4.559 3.552) 10.269 5.514 ( -2.032 0.405 2.949) 3.604 5.793 ( -9.057 2.721 -2.139) 9.696 6.553 ( 6.850 -3.855 0.067) 7.861 6.654 ( 3.970 -3.635 7.638) 9.344 6.859 ( 6.070 9.805 -3.153) 11.955 7.384 ( -9.322 -1.159 -13.155) 16.165 8.024 ( 17.948 -10.379 19.570) 28.510 8.517 ( 1.012 6.601 -2.397) 7.095 9.045 ( 2.853 -5.329 -13.106) 14.432 14.218 ( 0.788 -0.564 1.488) 1.776 14.295 ( -3.141 -1.498 -5.791) 6.756 16.356 ( -0.311 -0.708 1.163) 1.397 16.391 ( -1.269 0.470 0.228) 1.372 18.026 ( -0.713 0.601 0.452) 1.036 18.418 ( 5.193 1.311 2.248) 5.809 ======================= Grid point 34 (27/226) ======================= q-point: ( 0.09 0.27 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -14.736 10.275 -2.395) 18.124 1.255 ( -21.243 2.034 14.656) 25.888 1.417 ( -5.805 14.437 9.244) 18.099 2.110 ( -9.897 7.519 4.042) 13.070 2.363 ( -5.252 13.137 11.456) 18.204 3.192 ( -0.414 0.099 -0.282) 0.511 3.917 ( -1.157 -0.488 -4.003) 4.196 4.216 ( -5.612 1.083 8.128) 9.937 4.546 ( -7.742 3.864 5.498) 10.252 5.584 ( -8.069 2.108 -1.433) 8.462 5.722 ( -6.167 3.604 -1.352) 7.269 6.448 ( 5.234 -5.187 -6.268) 9.674 6.714 ( -7.019 -12.000 1.527) 13.986 6.862 ( 3.933 -3.044 -0.073) 4.974 7.609 ( 9.078 -7.472 -7.652) 14.029 7.698 ( -6.199 4.162 -3.007) 8.049 8.452 ( 12.668 -1.917 12.461) 17.873 9.124 ( 7.445 7.871 -6.713) 12.745 14.221 ( 0.916 -1.520 1.929) 2.621 14.399 ( 6.795 9.961 3.672) 12.605 16.343 ( -1.064 0.130 -0.677) 1.268 16.365 ( -0.164 -0.262 1.051) 1.095 18.026 ( -1.520 -0.383 -0.403) 1.619 18.378 ( -3.170 -8.480 -4.404) 10.067 ======================= Grid point 35 (28/226) ======================= q-point: ( 0.18 0.27 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -13.001 12.304 -2.863) 18.127 1.015 ( -20.104 1.837 13.597) 24.340 1.559 ( -0.724 11.337 10.839) 15.701 2.110 ( -5.605 10.211 7.960) 14.109 2.487 ( -2.764 12.843 9.641) 16.295 3.166 ( -0.683 -2.730 -1.882) 3.385 3.924 ( 4.551 -0.772 -0.721) 4.672 4.189 ( -4.661 2.441 4.497) 6.922 4.516 ( -4.070 3.387 3.441) 6.315 5.471 ( -4.198 -0.310 -0.470) 4.235 5.651 ( -5.411 2.298 -0.152) 5.881 6.415 ( -5.000 -17.194 -5.677) 18.784 6.430 ( 2.284 -7.697 -8.979) 12.045 6.977 ( 6.055 1.535 1.468) 6.416 7.172 ( -5.979 -24.775 -16.565) 30.396 8.111 ( 9.673 21.654 13.125) 27.106 8.669 ( 6.574 1.940 7.282) 10.000 9.226 ( 0.303 7.833 -2.301) 8.170 14.232 ( 0.585 -0.683 0.848) 1.236 14.645 ( 4.526 12.911 8.191) 15.945 16.345 ( 1.021 0.698 0.274) 1.267 16.368 ( 0.033 0.275 0.299) 0.408 17.990 ( -1.072 -1.710 -1.345) 2.426 18.168 ( -4.123 -13.671 -7.949) 16.343 ======================= Grid point 36 (29/226) ======================= q-point: ( 0.27 0.27 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -1.906 8.848 3.326) 9.643 0.939 ( -1.277 6.577 5.772) 8.843 1.717 ( 2.652 6.602 9.394) 11.784 2.190 ( -3.782 11.165 8.307) 14.421 2.625 ( -1.967 12.840 9.022) 15.815 3.086 ( -1.063 -8.334 -4.408) 9.488 4.021 ( 8.236 -2.223 1.927) 8.746 4.180 ( -2.015 4.379 0.783) 4.883 4.511 ( -0.355 -0.152 0.536) 0.660 5.458 ( 2.071 0.141 -1.097) 2.348 5.604 ( -2.399 1.387 0.076) 2.772 6.080 ( -1.499 -24.794 -12.590) 27.848 6.383 ( 3.104 -6.697 -6.180) 9.627 6.837 ( -2.925 -15.688 -9.222) 18.431 7.065 ( 2.502 1.731 -0.533) 3.088 8.490 ( 5.925 16.239 12.543) 21.358 8.774 ( -1.331 3.912 4.183) 5.880 9.265 ( -5.671 10.814 2.688) 12.503 14.236 ( 0.047 0.199 -0.317) 0.377 14.842 ( -4.028 15.266 12.205) 19.956 16.373 ( 0.371 0.280 0.220) 0.515 16.382 ( 1.887 0.738 -0.001) 2.026 17.914 ( 0.512 -12.815 -8.251) 15.250 17.976 ( 0.704 -7.074 -4.675) 8.509 ======================= Grid point 37 (30/226) ======================= q-point: ( 0.36 0.27 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 8.550 1.312 8.905) 12.415 1.165 ( 17.617 10.837 -1.667) 20.751 1.900 ( 8.399 4.450 6.544) 11.540 2.277 ( -3.761 9.731 6.824) 12.466 2.751 ( -4.766 10.621 7.848) 14.040 2.927 ( -0.239 -13.052 -6.705) 14.675 4.138 ( 6.556 -3.060 3.262) 7.937 4.231 ( 4.145 3.780 -1.096) 5.715 4.494 ( 2.694 -5.938 -4.569) 7.962 5.466 ( 0.586 -1.955 -7.516) 7.788 5.576 ( 0.366 -1.062 -3.324) 3.509 5.874 ( 9.772 -18.249 -3.043) 20.923 6.337 ( 3.695 -7.065 -4.781) 9.296 6.656 ( -0.037 -9.883 -6.012) 11.568 7.079 ( -1.772 1.415 -1.325) 2.626 8.723 ( -3.141 1.098 10.976) 11.470 8.768 ( -4.138 13.428 0.886) 14.079 9.293 ( -9.778 15.466 8.101) 20.011 14.234 ( -0.360 0.720 -0.985) 1.272 14.955 ( -11.027 17.264 15.269) 25.550 16.381 ( 0.340 0.963 -1.000) 1.429 16.410 ( 0.909 -0.435 0.549) 1.147 17.761 ( 8.062 -18.305 -12.470) 23.571 17.931 ( 1.319 -3.789 -2.794) 4.889 ======================= Grid point 38 (31/226) ======================= q-point: ( 0.45 0.27 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 12.691 -1.304 6.591) 14.360 1.569 ( 19.799 10.184 -0.989) 22.287 2.128 ( 9.998 3.263 1.840) 10.677 2.328 ( -2.869 4.939 5.754) 8.108 2.600 ( -5.116 -13.582 -9.031) 17.094 2.932 ( -0.363 5.756 6.924) 9.012 4.212 ( 3.266 -1.402 3.324) 4.866 4.328 ( 6.039 -4.165 -2.592) 7.781 4.426 ( 4.960 -7.744 -9.578) 13.279 5.369 ( 1.375 -4.426 -6.797) 8.227 5.632 ( 6.094 3.835 -3.435) 7.978 5.944 ( 13.822 -11.474 1.222) 18.005 6.325 ( 6.716 -7.417 -2.753) 10.378 6.565 ( 1.796 -6.394 -4.953) 8.285 7.026 ( -4.781 0.869 -1.579) 5.109 8.576 ( -16.579 1.604 2.978) 16.920 8.868 ( -2.341 6.901 3.396) 8.039 9.347 ( -10.993 18.219 12.047) 24.452 14.227 ( -0.558 0.718 -1.030) 1.374 15.000 ( -15.011 16.667 15.166) 27.076 16.388 ( 0.315 1.178 -1.620) 2.028 16.412 ( -0.120 -0.776 0.671) 1.033 17.691 ( 13.203 -17.162 -12.114) 24.811 17.908 ( 2.209 -3.544 -2.526) 4.880 ======================= Grid point 39 (32/226) ======================= q-point: ( 0.55 0.27 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 12.873 -1.445 3.672) 13.464 1.891 ( 7.151 8.805 1.423) 11.432 2.086 ( -5.336 -13.566 -10.842) 18.167 2.353 ( 0.640 0.586 -0.436) 0.971 2.538 ( 9.754 -0.830 2.053) 10.002 2.998 ( -2.205 3.923 5.114) 6.812 4.209 ( 1.963 -11.092 -8.717) 14.244 4.281 ( 0.956 -0.780 2.150) 2.479 4.487 ( 8.292 -2.658 -1.587) 8.851 5.395 ( 8.184 1.146 -5.095) 9.708 5.738 ( 5.166 2.272 -3.485) 6.633 6.083 ( 12.611 -6.474 1.469) 14.251 6.401 ( 14.274 -9.739 0.626) 17.291 6.524 ( 1.618 -3.101 -3.655) 5.059 6.943 ( -4.499 1.084 -2.269) 5.154 8.292 ( -22.207 1.653 0.895) 22.287 8.860 ( -7.125 4.360 2.819) 8.816 9.408 ( -9.771 14.671 10.326) 20.429 14.217 ( -0.571 0.334 -0.520) 0.841 14.967 ( -16.289 12.296 10.797) 23.090 16.390 ( 0.118 1.043 -2.134) 2.378 16.410 ( -0.489 0.190 1.519) 1.607 17.713 ( 15.127 -12.762 -8.952) 21.722 17.908 ( 3.214 -2.881 -1.749) 4.657 ======================= Grid point 40 (33/226) ======================= q-point: (-0.36 0.27 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 6.305 -1.091 -0.196) 6.401 1.725 ( -9.045 -12.621 -8.119) 17.522 2.009 ( -5.496 5.361 4.417) 8.857 2.407 ( 7.184 -0.213 -3.804) 8.132 2.668 ( 1.128 1.061 2.634) 3.055 2.999 ( -0.234 -0.976 -0.512) 1.126 4.111 ( 2.136 -3.585 -7.309) 8.416 4.311 ( -0.398 -0.996 6.445) 6.534 4.572 ( 5.825 -2.476 0.308) 6.337 5.563 ( 13.465 4.568 -6.537) 15.649 5.779 ( 2.803 -1.884 -3.684) 4.998 6.214 ( 6.328 -0.827 1.472) 6.549 6.465 ( 2.564 -7.935 -0.689) 8.368 6.655 ( 19.218 -6.673 8.759) 22.149 6.903 ( 0.732 3.818 -6.522) 7.592 7.941 ( -23.321 2.345 -1.536) 23.489 8.772 ( -10.873 3.964 3.192) 12.005 9.413 ( -8.333 6.673 4.669) 11.652 14.209 ( -0.424 -0.197 0.316) 0.564 14.847 ( -14.901 5.801 3.800) 16.435 16.385 ( -0.171 0.653 -1.757) 1.882 16.419 ( -0.790 1.393 1.986) 2.552 17.816 ( 13.644 -6.339 -4.295) 15.646 17.939 ( 4.533 -1.977 -0.545) 4.976 ======================= Grid point 41 (34/226) ======================= q-point: (-0.27 0.27 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -11.642 -4.092 -1.702) 12.457 1.707 ( -5.048 2.647 -0.682) 5.741 1.965 ( -6.456 1.269 4.294) 7.856 2.485 ( 3.589 -2.042 -0.141) 4.131 2.604 ( -8.518 1.412 -1.785) 8.817 2.995 ( 3.132 -1.791 -3.721) 5.183 4.123 ( 3.217 1.280 -1.241) 3.678 4.323 ( -3.256 1.076 6.603) 7.440 4.629 ( 1.715 0.658 1.403) 2.312 5.744 ( 0.550 -3.383 -4.918) 5.995 5.790 ( 11.189 4.886 -4.022) 12.855 6.277 ( 2.575 -2.325 2.412) 4.225 6.458 ( 4.317 -2.760 -0.597) 5.159 6.865 ( 0.621 -2.801 8.848) 9.302 7.050 ( 21.241 -2.207 1.579) 21.414 7.634 ( -14.718 5.696 -6.856) 17.207 8.643 ( -11.836 4.220 2.871) 12.890 9.315 ( -7.160 -2.997 -2.522) 8.161 14.205 ( -0.194 -0.694 1.144) 1.352 14.663 ( -11.744 0.130 -2.761) 12.065 16.376 ( -0.359 0.178 -0.832) 0.923 16.430 ( -1.027 1.513 1.582) 2.418 17.940 ( 6.249 -0.300 -0.355) 6.266 18.028 ( 9.137 -0.860 1.055) 9.238 ======================= Grid point 42 (35/226) ======================= q-point: (-0.18 0.27 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -13.100 5.148 6.068) 15.328 1.601 ( -11.313 6.100 -0.803) 12.878 1.878 ( -9.463 0.246 5.189) 10.795 2.396 ( -11.740 0.569 2.960) 12.121 2.519 ( -3.356 1.047 -5.135) 6.223 3.031 ( 5.216 -0.244 -2.036) 5.604 4.167 ( 0.642 -1.376 1.033) 1.836 4.320 ( -5.352 4.410 6.560) 9.546 4.662 ( -3.400 6.912 3.182) 8.334 5.648 ( -5.017 -2.953 -0.391) 5.835 5.940 ( 4.546 3.029 -4.594) 7.137 6.325 ( 5.514 -4.230 3.343) 7.712 6.529 ( 5.142 1.057 0.370) 5.262 6.841 ( -5.849 3.692 2.036) 7.210 7.373 ( 18.202 -10.904 12.175) 24.463 7.543 ( 1.243 8.552 -8.747) 12.296 8.545 ( -6.697 6.234 0.591) 9.168 9.103 ( -5.739 -12.090 -9.989) 16.700 14.205 ( 0.092 -0.916 1.569) 1.819 14.461 ( -8.006 -3.002 -6.518) 10.752 16.368 ( -0.392 -0.215 0.189) 0.485 16.430 ( -1.151 0.693 0.595) 1.469 18.008 ( 2.214 1.073 0.875) 2.611 18.199 ( 8.837 2.363 3.151) 9.675 ======================= Grid point 43 (36/226) ======================= q-point: (-0.09 0.27 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -11.182 7.902 8.583) 16.160 1.480 ( -12.828 10.441 -0.345) 16.544 1.727 ( -15.826 0.908 7.843) 17.686 2.273 ( -10.768 8.500 4.207) 14.349 2.401 ( -8.882 0.455 -2.120) 9.143 3.114 ( 4.881 0.497 0.376) 4.921 4.119 ( -3.614 -1.986 -2.407) 4.774 4.297 ( -7.473 2.754 7.480) 10.926 4.678 ( -8.649 8.757 6.777) 14.051 5.583 ( -2.298 1.907 2.973) 4.213 5.924 ( -5.198 3.377 -5.526) 8.304 6.393 ( 6.296 -4.801 0.009) 7.918 6.621 ( 2.967 -3.272 8.935) 9.967 6.878 ( 2.966 11.922 -0.008) 12.286 7.404 ( -4.077 -0.611 -12.604) 13.261 7.770 ( 17.814 -7.436 18.164) 26.506 8.534 ( -2.992 -0.887 -4.258) 5.279 8.851 ( 2.208 -8.746 -15.099) 17.589 14.212 ( 0.559 -0.339 0.992) 1.188 14.295 ( -4.076 -2.880 -5.559) 7.470 16.363 ( -0.324 -0.393 0.910) 1.043 16.412 ( -1.389 -0.331 -0.414) 1.487 18.043 ( 0.184 1.197 0.938) 1.532 18.364 ( 5.999 2.559 3.122) 7.231 ======================= Grid point 45 (37/226) ======================= q-point: ( 0.09 0.36 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -7.940 6.635 1.477) 10.452 1.647 ( -10.319 10.047 4.830) 15.191 1.693 ( -13.778 3.435 10.746) 17.808 2.310 ( -5.279 4.359 1.188) 6.949 2.596 ( -3.232 8.840 7.527) 12.052 3.186 ( 0.017 -1.370 -0.941) 1.662 3.935 ( -4.845 0.884 -5.648) 7.493 4.391 ( -8.192 -0.137 11.383) 14.025 4.723 ( -9.633 -1.716 3.543) 10.406 5.749 ( -9.860 5.888 -5.511) 12.739 5.812 ( -0.930 2.730 -1.077) 3.078 6.295 ( 2.620 -2.528 -7.365) 8.215 6.751 ( -11.014 -13.580 2.884) 17.721 6.768 ( 1.768 -6.042 -2.953) 6.954 7.325 ( -2.680 -21.099 -14.655) 25.828 7.872 ( 5.657 25.774 3.222) 26.584 8.276 ( 15.958 -6.232 18.328) 25.088 9.003 ( 12.145 8.643 -5.670) 15.948 14.206 ( 0.864 -1.538 2.380) 2.962 14.393 ( 7.932 9.821 2.751) 12.920 16.363 ( -1.111 0.532 -0.106) 1.236 16.373 ( -0.493 -0.374 1.063) 1.230 18.041 ( -1.854 -1.143 -0.992) 2.393 18.329 ( -4.068 -8.194 -4.928) 10.391 ======================= Grid point 46 (38/226) ======================= q-point: ( 0.18 0.36 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -12.991 7.605 -2.556) 15.269 1.454 ( -22.173 0.539 13.080) 25.750 1.743 ( -2.331 10.632 6.426) 12.640 2.321 ( -3.440 8.063 6.126) 10.694 2.681 ( -2.003 9.530 6.555) 11.739 3.121 ( -1.396 -6.336 -4.509) 7.901 3.871 ( -0.166 0.533 -2.994) 3.046 4.329 ( -6.895 -0.912 9.193) 11.527 4.608 ( -4.877 -1.757 -0.675) 5.227 5.583 ( -9.983 3.674 -6.232) 12.329 5.770 ( -6.440 0.723 2.159) 6.831 6.244 ( 0.188 -12.643 -13.458) 18.466 6.311 ( -7.467 -17.410 -7.074) 20.222 6.884 ( 5.822 -2.520 1.325) 6.481 6.982 ( -4.106 -13.926 -9.360) 17.274 8.284 ( 7.389 26.937 7.466) 28.912 8.574 ( 12.748 -2.813 14.921) 19.826 9.222 ( 8.082 9.243 -1.474) 12.366 14.220 ( 0.819 -1.058 1.733) 2.189 14.694 ( 10.965 14.469 7.543) 19.659 16.357 ( -0.789 1.574 0.439) 1.815 16.372 ( -0.106 -0.269 0.941) 0.985 17.984 ( -1.954 -2.513 -2.030) 3.775 18.080 ( -7.817 -14.636 -9.211) 18.978 ======================= Grid point 47 (39/226) ======================= q-point: ( 0.27 0.36 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -9.339 8.156 -2.334) 12.617 1.184 ( -19.106 0.473 10.209) 21.668 1.823 ( -2.511 5.982 6.397) 9.111 2.405 ( -2.931 10.403 7.752) 13.301 2.791 ( 0.954 7.281 4.758) 8.750 2.980 ( -2.341 -9.772 -5.848) 11.627 3.898 ( 4.786 -1.021 -0.704) 4.944 4.279 ( -4.827 0.832 4.740) 6.816 4.498 ( -2.896 -5.149 -5.729) 8.229 5.470 ( -3.775 1.648 -1.443) 4.364 5.675 ( -5.999 -1.795 -0.636) 6.294 5.836 ( -5.995 -21.772 -12.185) 25.660 6.229 ( 3.105 -6.164 -6.661) 9.592 6.712 ( -3.252 -11.297 -5.996) 13.197 7.030 ( 4.788 2.079 1.170) 5.349 8.631 ( 4.971 18.620 4.193) 19.723 8.793 ( 6.146 0.046 11.137) 12.720 9.413 ( 2.807 12.091 4.349) 13.153 14.232 ( 0.500 -0.390 0.723) 0.962 15.052 ( 6.892 17.821 12.000) 22.563 16.371 ( 0.176 0.883 0.879) 1.259 16.376 ( 0.123 0.851 0.122) 0.869 17.729 ( -6.633 -19.401 -12.618) 24.075 17.923 ( -0.848 -3.583 -2.635) 4.527 ======================= Grid point 48 (40/226) ======================= q-point: ( 0.36 0.36 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -0.574 5.019 2.138) 5.486 1.087 ( -0.489 3.717 3.095) 4.861 1.876 ( 1.681 2.213 4.385) 5.192 2.493 ( -4.466 10.622 7.010) 13.487 2.703 ( -0.065 -21.495 -12.792) 25.013 2.980 ( -2.073 12.959 9.159) 16.003 3.975 ( 7.516 -4.304 0.414) 8.671 4.253 ( -2.349 1.374 1.293) 3.013 4.364 ( 0.803 -7.739 -10.465) 13.041 5.429 ( -4.016 -5.333 -5.794) 8.839 5.488 ( 1.615 -7.899 -2.807) 8.537 5.687 ( 0.438 -2.153 1.916) 2.916 6.184 ( 3.546 -6.341 -6.080) 9.473 6.560 ( -1.556 -7.210 -4.112) 8.444 7.099 ( 1.010 1.737 0.102) 2.012 8.819 ( 1.038 5.908 3.867) 7.137 8.907 ( -0.341 5.510 4.530) 7.141 9.582 ( -2.344 14.638 8.858) 17.269 14.237 ( 0.026 0.169 -0.125) 0.211 15.356 ( -2.993 21.231 16.533) 27.075 16.378 ( 0.225 0.483 -0.465) 0.708 16.395 ( 0.615 0.467 0.231) 0.806 17.400 ( 1.582 -22.641 -15.401) 27.428 17.868 ( 0.240 -3.697 -2.685) 4.576 ======================= Grid point 49 (41/226) ======================= q-point: ( 0.45 0.36 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 6.239 -0.815 6.488) 9.038 1.294 ( 19.231 6.880 -3.750) 20.766 1.995 ( 8.561 0.814 1.614) 8.750 2.386 ( -1.591 -22.757 -13.078) 26.295 2.532 ( -6.859 8.491 4.935) 11.979 3.115 ( -3.353 11.435 9.121) 15.006 4.046 ( 8.158 -9.250 1.416) 12.414 4.186 ( 0.980 -9.428 -6.403) 11.438 4.331 ( 3.327 5.577 -7.012) 9.557 5.290 ( -0.312 -5.033 -3.259) 6.005 5.535 ( 6.751 0.249 -0.454) 6.771 5.720 ( 4.322 -4.382 2.788) 6.757 6.159 ( 4.778 -5.342 -5.035) 8.759 6.479 ( 0.389 -3.876 -2.813) 4.805 7.094 ( -3.041 1.045 -0.527) 3.259 8.806 ( -8.570 -0.219 4.545) 9.703 8.965 ( -1.177 6.440 -0.240) 6.551 9.700 ( -6.495 13.256 9.213) 17.401 14.235 ( -0.391 0.471 -0.624) 0.874 15.515 ( -15.307 20.128 17.359) 30.672 16.383 ( 0.268 0.906 -1.519) 1.789 16.405 ( 0.801 -0.315 0.493) 0.992 17.216 ( 13.327 -20.987 -15.080) 29.077 17.833 ( 1.388 -3.131 -2.195) 4.068 ======================= Grid point 50 (42/226) ======================= q-point: ( 0.55 0.36 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 11.011 -2.305 5.331) 12.449 1.675 ( 22.855 5.941 -5.401) 24.224 1.971 ( -4.346 -12.545 -8.761) 15.907 2.311 ( 14.769 -3.654 1.103) 15.254 2.494 ( -9.396 5.790 3.280) 11.514 3.167 ( -6.528 5.948 5.403) 10.353 4.046 ( 2.834 -6.831 -3.975) 8.396 4.142 ( 7.678 -10.182 1.126) 12.802 4.422 ( 4.403 8.115 -5.854) 10.932 5.288 ( 4.028 0.929 -1.782) 4.501 5.675 ( 5.711 4.179 -1.114) 7.164 5.779 ( 12.326 -11.074 4.459) 17.160 6.182 ( 7.030 -3.676 -4.071) 8.917 6.466 ( 1.939 -0.383 -1.187) 2.306 7.024 ( -5.576 0.313 -0.907) 5.658 8.623 ( -16.791 -0.075 2.508) 16.977 8.976 ( -2.880 3.363 -0.413) 4.447 9.721 ( -9.317 7.887 5.950) 13.580 14.227 ( -0.606 0.506 -0.749) 1.088 15.437 ( -21.812 9.526 9.946) 25.796 16.384 ( 0.203 0.942 -1.924) 2.151 16.432 ( 0.249 1.950 2.046) 2.838 17.260 ( 20.351 -12.293 -8.946) 25.403 17.830 ( 2.527 -1.926 -1.142) 3.376 ======================= Grid point 51 (43/226) ======================= q-point: (-0.36 0.36 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 12.180 -1.899 3.204) 12.737 1.745 ( -7.829 -3.211 -0.817) 8.501 2.019 ( 15.428 5.140 -5.216) 17.077 2.396 ( -8.794 3.129 0.668) 9.358 2.547 ( 13.626 -1.552 3.373) 14.123 3.082 ( -8.480 -0.741 0.024) 8.513 4.033 ( 1.841 1.043 -3.494) 4.085 4.217 ( 9.913 -8.764 6.506) 14.744 4.525 ( 3.383 7.374 -4.140) 9.109 5.403 ( 8.246 5.717 -2.905) 10.446 5.714 ( 1.477 -1.484 -0.543) 2.163 6.007 ( 18.432 -7.321 6.856) 20.984 6.258 ( 8.961 -4.258 -2.619) 10.261 6.522 ( 4.358 4.167 0.098) 6.031 6.933 ( -4.503 0.162 -1.528) 4.758 8.322 ( -22.344 0.469 0.732) 22.361 8.930 ( -5.440 1.526 -0.476) 5.670 9.617 ( -10.953 -0.110 0.495) 10.965 14.217 ( -0.569 0.353 -0.578) 0.884 15.169 ( -20.289 -0.756 1.434) 20.353 16.382 ( 0.007 0.911 -1.877) 2.087 16.458 ( -0.740 1.725 1.717) 2.544 17.491 ( 19.616 -1.688 -0.895) 19.709 17.865 ( 3.535 -0.429 0.236) 3.569 ======================= Grid point 52 (44/226) ======================= q-point: (-0.27 0.36 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( -7.497 1.055 4.831) 8.981 1.692 ( 4.737 4.122 2.682) 6.828 2.142 ( -5.022 4.647 0.172) 6.844 2.355 ( 5.356 -0.153 -3.731) 6.529 2.704 ( 1.719 1.223 4.393) 4.873 2.940 ( -3.522 -2.917 -3.158) 5.558 4.067 ( 3.676 -0.883 -0.364) 3.798 4.364 ( 5.572 2.393 7.134) 9.363 4.619 ( 3.913 6.052 -1.531) 7.367 5.581 ( 8.503 4.689 -4.712) 10.793 5.743 ( 3.371 1.514 2.145) 4.273 6.227 ( 8.802 -2.061 4.320) 10.019 6.310 ( 6.217 -9.712 3.392) 12.020 6.735 ( 15.579 5.276 3.677) 16.854 6.892 ( 0.689 1.727 -3.395) 3.871 7.963 ( -23.185 2.089 -1.585) 23.333 8.829 ( -7.832 0.403 -0.755) 7.878 9.379 ( -11.517 -9.302 -5.999) 15.973 14.209 ( -0.350 0.095 -0.259) 0.446 14.837 ( -16.088 -6.054 -3.949) 17.637 16.378 ( -0.178 0.671 -1.352) 1.520 16.461 ( -0.795 0.245 0.495) 0.968 17.794 ( 14.433 4.846 3.790) 15.690 17.936 ( 4.701 0.965 1.729) 5.101 ======================= Grid point 53 (45/226) ======================= q-point: (-0.18 0.36 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -10.152 0.392 5.390) 11.501 1.777 ( -3.060 8.083 -0.043) 8.644 2.061 ( -8.397 2.805 4.688) 10.018 2.428 ( 5.557 -1.849 -3.144) 6.647 2.652 ( -10.891 3.937 1.534) 11.682 2.946 ( 4.893 0.875 0.242) 4.977 4.116 ( 3.720 -3.104 1.162) 4.982 4.471 ( -2.436 6.099 5.846) 8.792 4.771 ( 4.467 11.262 2.877) 12.453 5.631 ( 1.721 -2.737 -3.581) 4.825 5.879 ( 4.033 6.100 1.054) 7.388 6.279 ( 1.395 -0.392 3.761) 4.031 6.418 ( 9.868 -4.401 5.756) 12.242 6.924 ( 1.485 2.422 0.288) 2.855 7.087 ( 18.559 0.199 6.928) 19.811 7.661 ( -14.410 5.642 -5.741) 16.506 8.697 ( -7.728 0.608 -1.260) 7.854 9.017 ( -10.765 -18.251 -12.604) 24.654 14.205 ( -0.053 -0.124 -0.025) 0.137 14.526 ( -11.061 -7.093 -5.989) 14.440 16.373 ( -0.260 0.329 -0.500) 0.653 16.447 ( -0.738 -0.708 -0.375) 1.090 17.987 ( 3.495 2.688 2.008) 4.845 18.112 ( 10.022 5.572 5.297) 12.631 ======================= Grid point 54 (46/226) ======================= q-point: (-0.09 0.36 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -8.319 0.049 4.519) 9.467 1.745 ( -8.998 9.801 -2.352) 13.511 1.994 ( -9.846 1.759 9.020) 13.468 2.444 ( 0.485 -1.572 -3.018) 3.438 2.533 ( -9.536 6.774 1.978) 11.863 3.057 ( 4.575 3.144 2.962) 6.292 4.120 ( -0.426 -2.145 -1.369) 2.580 4.485 ( -6.033 3.739 6.705) 9.764 4.932 ( -4.652 11.850 7.404) 14.727 5.608 ( 2.042 -0.450 -1.871) 2.806 5.934 ( 0.341 1.420 -3.396) 3.696 6.330 ( 0.449 2.058 -0.090) 2.108 6.593 ( 6.791 -0.872 11.649) 13.512 6.967 ( -0.323 7.108 3.088) 7.757 7.331 ( 6.861 -2.395 0.617) 7.293 7.605 ( 5.700 2.402 1.384) 6.338 8.543 ( -12.090 -18.357 -10.039) 24.164 8.655 ( 2.968 -2.046 -10.029) 10.657 14.205 ( 0.308 -0.014 -0.524) 0.608 14.307 ( -5.435 -4.505 -4.002) 8.115 16.370 ( -0.250 -0.014 0.338) 0.420 16.422 ( -0.955 -0.949 -0.759) 1.546 18.052 ( 1.145 1.650 1.347) 2.418 18.319 ( 6.120 4.082 3.855) 8.305 ======================= Grid point 56 (47/226) ======================= q-point: ( 0.09 0.45 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -1.080 5.388 2.250) 5.938 1.833 ( -3.911 5.850 0.605) 7.063 2.016 ( -13.250 2.154 9.097) 16.216 2.355 ( 1.275 -0.145 -1.614) 2.062 2.705 ( 1.555 4.511 3.986) 6.217 3.153 ( -0.182 -3.901 -3.067) 4.966 4.005 ( -5.730 2.191 -4.688) 7.721 4.575 ( -5.311 0.173 7.381) 9.094 4.879 ( -14.875 -9.320 3.843) 17.969 5.724 ( 7.362 -0.125 -7.596) 10.579 5.912 ( -3.306 5.888 -0.709) 6.790 6.274 ( -5.490 2.777 -7.899) 10.012 6.650 ( -4.203 -13.376 -11.505) 18.137 6.858 ( -12.042 -10.473 6.530) 17.243 7.170 ( -6.697 -11.709 -9.384) 16.431 7.905 ( 16.772 10.132 0.205) 19.596 8.192 ( 8.345 10.301 23.422) 26.914 8.843 ( 13.398 7.447 -3.378) 15.696 14.197 ( 0.552 -1.140 2.399) 2.713 14.366 ( 7.810 8.471 2.276) 11.744 16.373 ( -0.088 -0.382 0.863) 0.948 16.394 ( -0.879 0.990 0.437) 1.394 18.051 ( -1.933 -1.689 -1.425) 2.936 18.299 ( -5.014 -7.222 -4.915) 10.072 ======================= Grid point 57 (48/226) ======================= q-point: ( 0.18 0.45 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -9.822 5.041 -1.024) 11.087 1.857 ( -16.669 2.287 10.184) 19.668 1.874 ( -0.811 6.017 3.118) 6.825 2.402 ( 3.190 2.496 2.580) 4.802 2.796 ( 0.049 5.582 3.692) 6.693 3.037 ( -1.708 -9.427 -7.636) 12.252 3.913 ( -5.035 3.545 -3.761) 7.216 4.506 ( -10.249 -4.194 11.535) 15.990 4.625 ( -5.087 -7.817 -3.982) 10.141 5.700 ( -3.343 2.616 -10.530) 11.353 5.881 ( -5.832 0.444 0.827) 5.907 6.088 ( -9.318 -11.212 -14.963) 20.890 6.270 ( -8.342 -11.117 -4.094) 14.490 6.810 ( -0.145 -5.738 4.565) 7.334 6.914 ( -3.785 -5.285 -6.124) 8.931 8.273 ( 18.806 7.750 -1.569) 20.401 8.565 ( 5.787 11.583 22.171) 25.675 9.135 ( 13.718 10.799 0.525) 17.466 14.210 ( 0.684 -1.012 1.949) 2.300 14.668 ( 13.606 13.525 6.366) 20.213 16.374 ( -0.061 -0.565 1.162) 1.294 16.398 ( -1.037 2.168 1.048) 2.622 17.979 ( -2.536 -3.343 -2.559) 4.915 18.039 ( -10.276 -13.000 -8.985) 18.850 ======================= Grid point 58 (49/226) ======================= q-point: ( 0.27 0.45 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -11.410 5.090 -3.190) 12.895 1.596 ( -23.248 -1.331 10.853) 25.692 1.949 ( -1.272 5.296 1.832) 5.747 2.518 ( 3.490 4.963 4.547) 7.582 2.716 ( -3.775 -14.985 -10.124) 18.474 2.990 ( 2.080 6.012 3.296) 7.164 3.876 ( -1.881 3.515 -1.570) 4.285 4.348 ( -4.422 -8.566 -0.505) 9.653 4.489 ( -6.509 -4.675 0.538) 8.032 5.579 ( -7.423 4.075 -8.279) 11.842 5.657 ( -9.380 -14.233 -9.169) 19.355 5.812 ( -6.445 -3.889 2.189) 7.839 6.133 ( -2.188 -3.084 -4.001) 5.505 6.654 ( -4.344 -8.690 -3.290) 10.257 6.969 ( 5.924 1.798 1.427) 6.353 8.594 ( 14.809 6.816 -3.259) 16.624 8.827 ( 3.264 5.381 14.505) 15.812 9.459 ( 9.867 13.513 5.899) 17.742 14.224 ( 0.694 -0.676 1.267) 1.595 15.093 ( 15.811 16.591 9.528) 24.821 16.376 ( -0.017 -0.509 1.022) 1.142 16.413 ( -1.123 2.977 1.482) 3.510 17.635 ( -13.270 -18.350 -12.278) 25.760 17.898 ( -2.141 -3.301 -2.642) 4.740 ======================= Grid point 59 (50/226) ======================= q-point: ( 0.36 0.45 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -6.861 4.745 -2.930) 8.842 1.288 ( -19.099 -1.213 7.625) 20.600 1.944 ( -3.764 2.100 1.325) 4.509 2.410 ( -1.615 -22.297 -13.926) 26.338 2.641 ( 1.410 5.800 4.218) 7.309 3.143 ( 2.143 10.242 7.391) 12.810 3.884 ( 0.671 1.677 -1.560) 2.387 4.202 ( 0.099 -10.395 -10.265) 14.610 4.349 ( -7.423 -2.213 5.029) 9.235 5.371 ( -5.016 -9.735 -5.267) 12.152 5.498 ( -4.763 3.675 -2.163) 6.393 5.730 ( -3.075 -1.193 2.215) 3.973 6.063 ( 0.256 -3.569 -4.146) 5.477 6.517 ( -2.665 -5.490 -2.539) 6.610 7.075 ( 4.158 1.405 0.723) 4.448 8.810 ( 7.817 5.127 -2.750) 9.745 8.963 ( 1.619 1.619 7.906) 8.231 9.735 ( 4.644 11.885 7.015) 14.561 14.234 ( 0.439 -0.297 0.568) 0.777 15.565 ( 13.623 19.624 13.074) 27.233 16.377 ( 0.056 -0.114 0.334) 0.357 16.428 ( -2.067 3.109 1.589) 4.057 17.161 ( -11.309 -22.614 -15.005) 29.401 17.828 ( -1.094 -2.906 -2.215) 3.814 ======================= Grid point 60 (51/226) ======================= q-point: ( 0.45 0.45 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -0.148 1.514 0.818) 1.727 1.156 ( -0.044 1.198 0.893) 1.495 1.935 ( 0.947 1.865 0.388) 2.127 2.125 ( -0.494 -17.842 -9.845) 20.384 2.708 ( -2.256 4.861 2.966) 6.125 3.296 ( -0.396 8.205 6.614) 10.547 3.894 ( 2.472 -2.586 -2.067) 4.132 4.058 ( 0.130 -7.823 -5.661) 9.657 4.303 ( 0.007 1.163 -0.238) 1.188 5.242 ( -1.047 -3.748 -1.361) 4.123 5.477 ( 0.465 0.688 0.089) 0.835 5.712 ( -0.951 0.328 1.821) 2.080 6.027 ( 2.257 -3.190 -3.388) 5.171 6.441 ( -0.701 -2.327 -1.378) 2.794 7.123 ( 0.281 0.680 0.065) 0.738 8.894 ( -0.054 1.028 0.879) 1.354 9.018 ( -0.064 2.042 1.211) 2.375 9.892 ( -0.511 6.944 4.648) 8.372 14.238 ( 0.005 0.053 -0.031) 0.061 16.001 ( -0.497 23.943 18.878) 30.494 16.380 ( 0.156 1.095 -1.602) 1.947 16.403 ( -3.519 0.001 0.092) 3.520 16.748 ( 3.656 -25.170 -17.062) 30.627 17.787 ( 0.106 -1.753 -1.267) 2.166 ======================= Grid point 61 (52/226) ======================= q-point: (-0.45 -0.55 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 5.743 -2.526 4.498) 7.720 1.328 ( 19.391 3.629 -5.757) 20.551 1.931 ( -3.034 -1.932 -0.546) 3.638 2.085 ( 10.810 0.822 0.927) 10.881 2.689 ( -6.263 2.674 1.495) 6.972 3.317 ( -4.997 0.263 0.217) 5.009 3.922 ( 5.933 -4.990 3.714) 8.597 4.006 ( 0.565 -0.751 -1.832) 2.059 4.358 ( 5.681 4.154 -5.124) 8.705 5.245 ( 2.728 1.182 1.004) 3.138 5.535 ( 7.226 -2.629 2.241) 8.009 5.711 ( -0.818 0.892 0.783) 1.441 6.038 ( 4.427 -2.014 -2.358) 5.405 6.439 ( 1.556 1.111 0.168) 1.920 7.097 ( -3.675 -0.150 -0.458) 3.707 8.835 ( -8.585 -1.790 2.938) 9.248 9.021 ( -1.192 2.040 -2.851) 3.703 9.897 ( -5.244 0.305 0.659) 5.294 14.235 ( -0.413 0.328 -0.494) 0.723 15.910 ( -25.752 -1.113 2.179) 25.868 16.379 ( 0.117 0.397 -0.724) 0.834 16.474 ( -0.095 5.068 3.091) 5.937 16.765 ( 25.320 -4.380 -4.024) 26.009 17.785 ( 1.327 -0.179 0.002) 1.339 ======================= Grid point 63 (53/226) ======================= q-point: (-0.36 -0.55 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 10.713 -3.350 4.297) 12.019 1.673 ( 23.500 3.790 -8.806) 25.380 1.907 ( -5.139 5.550 6.076) 9.702 2.342 ( 14.364 5.323 4.939) 16.095 2.586 ( -9.074 1.104 0.004) 9.141 3.176 ( -7.051 -5.476 -3.477) 9.581 3.970 ( 4.558 -7.559 -0.144) 8.828 4.088 ( 4.804 7.254 7.211) 11.301 4.474 ( 6.984 5.790 -6.830) 11.356 5.357 ( 5.537 6.827 2.460) 9.128 5.653 ( 7.897 -9.103 5.739) 13.348 5.756 ( 6.661 4.309 0.259) 7.937 6.100 ( 6.465 -0.886 -1.646) 6.729 6.508 ( 3.294 4.454 1.296) 5.689 7.009 ( -5.883 -0.849 -0.927) 6.016 8.634 ( -16.336 -1.955 2.019) 16.576 8.980 ( -2.398 -0.164 -4.221) 4.858 9.741 ( -9.480 -6.840 -3.705) 12.263 14.226 ( -0.633 0.508 -0.851) 1.176 15.457 ( -22.218 -10.125 -4.611) 24.848 16.379 ( 0.062 0.718 -1.352) 1.532 16.480 ( -0.294 -1.097 -0.502) 1.242 17.206 ( 21.517 10.293 6.911) 24.833 17.825 ( 2.475 1.338 1.288) 3.094 ======================= Grid point 64 (54/226) ======================= q-point: (-0.27 -0.55 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 11.305 -3.486 2.499) 12.091 1.894 ( -6.066 5.392 4.712) 9.385 1.985 ( 17.460 0.973 -8.220) 19.323 2.441 ( -9.427 1.117 -1.050) 9.551 2.658 ( 10.930 8.795 8.815) 16.569 2.989 ( -7.171 -5.416 -3.008) 9.476 3.975 ( 4.304 -5.870 0.831) 7.327 4.329 ( 9.471 10.276 6.909) 15.590 4.574 ( 4.886 4.878 -6.829) 9.711 5.552 ( 4.237 8.989 4.720) 11.002 5.717 ( 4.866 0.777 5.153) 7.129 5.975 ( 16.162 -5.226 5.686) 17.912 6.194 ( 6.389 0.001 -0.893) 6.452 6.648 ( 6.749 8.312 1.202) 10.774 6.908 ( -3.901 -1.021 -1.112) 4.183 8.325 ( -21.419 -0.930 0.134) 21.440 8.884 ( -3.808 -3.437 -6.120) 7.986 9.434 ( -13.283 -13.119 -7.060) 19.959 14.215 ( -0.584 0.585 -1.128) 1.398 14.998 ( -18.280 -12.078 -6.288) 22.794 16.377 ( -0.019 0.801 -1.435) 1.643 16.458 ( 0.073 -2.040 -1.080) 2.309 17.663 ( 16.294 12.473 8.846) 22.345 17.900 ( 3.408 2.325 2.258) 4.703 ======================= Grid point 65 (55/226) ======================= q-point: (-0.18 -0.55 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 1.344 -4.862 0.064) 5.045 1.874 ( -1.863 2.069 2.825) 3.966 2.143 ( 6.984 -0.187 -6.473) 9.524 2.334 ( -3.002 1.068 -0.650) 3.252 2.822 ( -6.818 -3.108 -2.792) 7.997 2.924 ( 4.574 9.539 8.822) 13.775 4.019 ( 5.491 -4.411 2.787) 7.575 4.573 ( 0.771 6.467 3.922) 7.603 4.709 ( 14.400 10.580 -5.287) 18.635 5.625 ( -2.712 1.301 4.300) 5.248 5.905 ( 3.973 7.183 4.442) 9.333 6.215 ( 15.164 -6.035 11.328) 19.867 6.285 ( 3.609 3.840 2.920) 6.025 6.858 ( 6.914 6.560 -9.267) 13.293 6.926 ( 9.153 3.111 9.269) 13.393 7.970 ( -21.616 1.325 -2.760) 21.832 8.713 ( -3.924 -9.889 -11.581) 15.727 9.019 ( -16.493 -14.667 -5.822) 22.826 14.205 ( -0.341 0.587 -1.371) 1.530 14.602 ( -13.273 -10.811 -5.720) 18.049 16.375 ( -0.080 0.643 -1.028) 1.215 16.435 ( 0.150 -1.913 -1.058) 2.191 17.976 ( 3.700 4.053 2.928) 6.221 18.054 ( 10.478 8.987 7.157) 15.549 ======================= Grid point 66 (56/226) ======================= q-point: (-0.09 0.45 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -4.508 -3.977 0.249) 6.016 1.878 ( -1.920 2.574 -2.163) 3.872 2.165 ( -2.054 0.913 4.423) 4.961 2.347 ( 4.208 -1.135 -3.970) 5.895 2.687 ( -5.882 -0.213 -1.869) 6.176 3.085 ( 1.357 6.253 5.552) 8.471 4.079 ( 3.193 -2.208 1.711) 4.242 4.607 ( -1.586 2.519 1.771) 3.464 5.037 ( 11.489 12.952 -0.636) 17.325 5.574 ( -4.811 -1.951 1.744) 5.477 5.947 ( -1.259 -1.126 0.935) 1.930 6.344 ( 2.520 0.543 1.208) 2.847 6.561 ( 9.415 7.061 16.419) 20.201 6.979 ( 7.993 6.744 -1.976) 10.643 7.200 ( 10.557 2.014 7.060) 12.859 7.684 ( -12.336 4.208 -5.713) 14.232 8.375 ( -7.448 -23.243 -19.079) 30.979 8.693 ( -9.590 -3.293 0.380) 10.147 14.198 ( -0.102 0.536 -1.848) 1.927 14.333 ( -6.826 -6.512 -2.650) 9.799 16.374 ( -0.096 0.300 -0.359) 0.478 16.415 ( -0.075 -1.218 -0.743) 1.429 18.054 ( 1.748 1.848 1.544) 2.975 18.296 ( 5.749 5.753 4.504) 9.297 ======================= Grid point 135 (57/226) ======================= q-point: ( 0.09 0.09 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( -0.000 0.000 24.382) 24.382 0.457 ( -0.000 0.000 24.382) 24.382 0.589 ( -0.000 0.000 30.823) 30.823 1.762 ( -0.000 0.000 11.500) 11.500 1.762 ( -0.000 0.000 11.500) 11.500 3.142 ( 0.000 -0.000 -0.250) 0.250 3.970 ( -0.000 0.000 3.171) 3.171 3.970 ( -0.000 0.000 3.171) 3.171 4.312 ( -0.000 0.000 4.640) 4.640 5.501 ( -0.000 0.000 3.303) 3.303 5.501 ( -0.000 0.000 3.303) 3.303 6.691 ( 0.000 -0.000 -3.227) 3.227 7.001 ( 0.000 -0.000 -1.897) 1.897 7.001 ( 0.000 -0.000 -1.897) 1.897 7.386 ( -0.000 0.000 1.762) 1.762 8.456 ( 0.000 -0.000 -5.109) 5.109 8.456 ( 0.000 -0.000 -5.109) 5.109 8.839 ( 0.000 -0.000 -2.230) 2.230 14.245 ( 0.000 -0.000 -0.234) 0.234 14.245 ( 0.000 -0.000 -0.234) 0.234 16.357 ( -0.000 0.000 0.227) 0.227 16.357 ( 0.000 0.000 0.227) 0.227 17.993 ( -0.000 0.000 0.903) 0.903 18.611 ( 0.000 -0.000 -1.056) 1.056 ======================= Grid point 136 (58/226) ======================= q-point: ( 0.18 0.09 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( 8.995 6.097 12.317) 16.425 0.810 ( 16.984 -2.647 19.724) 26.163 1.003 ( 9.788 14.795 24.322) 30.104 1.838 ( 3.511 1.670 10.113) 10.835 1.971 ( 8.166 4.269 15.170) 17.749 3.154 ( 1.136 0.673 -0.465) 1.400 3.960 ( -1.778 -0.124 1.790) 2.525 4.069 ( 5.117 3.187 5.066) 7.875 4.364 ( 2.450 1.859 7.817) 8.400 5.498 ( 0.011 0.866 0.098) 0.872 5.573 ( 3.342 1.065 4.782) 5.930 6.635 ( -3.335 -1.363 -4.905) 6.085 6.956 ( -0.826 -3.012 -2.819) 4.207 6.983 ( -5.786 8.882 -0.889) 10.638 7.252 ( 0.267 -18.237 10.465) 21.028 8.279 ( -16.110 12.877 -11.253) 23.495 8.600 ( 3.263 2.004 5.370) 6.596 8.866 ( 10.139 -8.389 -14.794) 19.800 14.245 ( 1.946 -2.844 -0.386) 3.467 14.276 ( 0.181 1.674 1.686) 2.383 16.344 ( -0.584 0.166 -0.320) 0.687 16.374 ( 0.016 0.995 1.134) 1.509 18.005 ( 0.537 0.326 0.836) 1.046 18.536 ( -4.043 -1.872 -1.158) 4.604 ======================= Grid point 137 (59/226) ======================= q-point: ( 0.27 0.09 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 18.936 11.352 0.629) 22.087 1.159 ( 15.888 -2.079 14.206) 21.414 1.406 ( 8.086 13.584 18.306) 24.187 2.017 ( 8.861 3.632 6.854) 11.776 2.251 ( 10.038 3.732 14.199) 17.785 3.171 ( 1.017 -0.049 -1.379) 1.714 3.938 ( -2.286 1.896 -0.332) 2.988 4.234 ( 6.144 4.196 7.891) 10.845 4.525 ( 6.761 5.341 8.566) 12.149 5.527 ( 3.292 2.334 -3.289) 5.206 5.674 ( 4.453 0.499 4.183) 6.130 6.500 ( -6.587 -2.585 -6.886) 9.874 6.881 ( -3.703 -3.073 0.881) 4.892 6.987 ( -6.333 14.001 -0.721) 15.384 7.236 ( 13.650 -23.664 6.820) 28.157 8.045 ( -20.380 17.955 -16.158) 31.604 8.611 ( -8.922 -1.344 11.934) 14.961 8.843 ( 11.036 -12.899 -12.561) 21.117 14.247 ( 2.060 -3.135 -0.369) 3.769 14.292 ( -1.350 -0.302 4.765) 4.961 16.342 ( 0.062 1.084 -0.849) 1.379 16.389 ( -0.491 1.008 1.790) 2.113 18.023 ( 0.853 0.569 0.078) 1.028 18.455 ( -2.733 -0.803 -3.960) 4.878 ======================= Grid point 138 (60/226) ======================= q-point: ( 0.36 0.09 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 12.664 9.382 2.721) 15.993 1.443 ( 14.119 -0.716 6.499) 15.560 1.745 ( 8.334 11.745 12.791) 19.262 2.232 ( 8.643 3.501 3.654) 10.015 2.498 ( 8.218 1.034 9.332) 12.478 3.165 ( 1.063 -1.753 -2.298) 3.080 3.931 ( -0.842 4.437 -2.052) 4.960 4.424 ( 6.184 3.772 8.471) 11.146 4.758 ( 7.698 8.954 7.346) 13.907 5.609 ( 7.336 3.952 -6.827) 10.772 5.739 ( 2.897 -4.769 0.575) 5.609 6.323 ( -6.363 -2.217 -6.663) 9.476 6.810 ( -3.006 -1.613 0.435) 3.439 7.023 ( -4.899 13.716 -0.622) 14.578 7.308 ( 15.896 -22.128 7.380) 28.228 7.776 ( -19.312 17.140 -19.186) 32.169 8.482 ( -10.464 -4.696 8.141) 14.065 8.818 ( 3.365 -10.956 1.633) 11.577 14.249 ( 1.608 -2.523 -0.303) 3.007 14.291 ( -2.292 -1.340 6.998) 7.485 16.354 ( 0.745 1.239 -0.899) 1.702 16.398 ( -0.783 0.665 1.915) 2.173 18.040 ( 0.921 0.707 -1.120) 1.613 18.386 ( -1.542 -0.093 -6.166) 6.357 ======================= Grid point 139 (61/226) ======================= q-point: ( 0.45 0.09 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 2.627 2.601 6.027) 7.071 1.693 ( 12.938 2.847 1.278) 13.309 2.035 ( 7.458 9.315 7.715) 14.210 2.357 ( 1.358 1.388 2.410) 3.095 2.627 ( 4.638 -2.712 2.525) 5.937 3.153 ( 1.169 -1.672 -2.623) 3.323 3.974 ( 1.862 6.080 -2.521) 6.840 4.575 ( 4.342 1.009 3.879) 5.909 5.006 ( 6.538 11.662 4.678) 14.164 5.642 ( -1.178 -8.497 -8.546) 12.109 5.752 ( 9.489 0.754 -4.828) 10.674 6.218 ( -0.933 1.001 -4.998) 5.182 6.755 ( -3.635 2.107 -3.384) 5.395 7.051 ( -1.071 5.056 -4.768) 7.032 7.363 ( -5.567 0.703 -0.321) 5.620 7.596 ( 4.564 -2.537 -5.339) 7.468 8.331 ( -10.820 -3.215 10.904) 15.694 8.772 ( -2.313 -7.981 9.989) 12.994 14.249 ( 0.916 -1.374 -0.226) 1.667 14.286 ( -2.771 -1.722 8.731) 9.321 16.373 ( 1.049 0.712 -0.455) 1.347 16.399 ( -0.844 0.167 1.452) 1.688 18.051 ( 0.868 0.752 -2.244) 2.520 18.332 ( -0.069 0.631 -7.722) 7.748 ======================= Grid point 140 (62/226) ======================= q-point: ( 0.55 0.09 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -2.108 -0.619 2.473) 3.308 1.883 ( 5.404 1.742 3.656) 6.753 2.170 ( -1.896 -0.145 -2.437) 3.090 2.381 ( 0.011 3.219 6.067) 6.868 2.650 ( 2.279 -4.742 -0.394) 5.276 3.124 ( -1.417 0.681 -5.419) 5.642 4.054 ( 2.429 5.224 -0.857) 5.825 4.602 ( -0.271 -2.981 -3.833) 4.863 5.163 ( 0.589 0.693 -3.549) 3.664 5.519 ( 1.729 -0.569 -1.909) 2.638 5.857 ( 6.281 0.265 -6.436) 8.996 6.252 ( 6.504 3.462 -5.760) 9.352 6.669 ( -7.803 6.150 -9.303) 13.611 7.008 ( 2.475 -6.447 -10.695) 12.731 7.211 ( -9.092 11.407 -12.108) 18.957 7.752 ( 11.527 -9.286 16.084) 21.858 8.235 ( -7.498 -4.216 16.573) 18.673 8.747 ( -4.085 -0.606 12.990) 13.630 14.250 ( 0.143 0.037 -0.154) 0.214 14.283 ( -2.788 -1.875 10.029) 10.577 16.387 ( -0.444 -0.192 0.992) 1.104 16.397 ( 0.599 -0.252 -0.149) 0.667 18.054 ( 0.782 0.688 -2.827) 3.013 18.301 ( 1.574 1.426 -8.771) 9.025 ======================= Grid point 141 (63/226) ======================= q-point: (-0.36 0.09 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -5.531 -1.535 -1.968) 6.068 1.902 ( -6.905 -3.569 4.098) 8.787 1.996 ( -8.090 -6.924 -6.227) 12.336 2.455 ( -0.466 1.374 3.281) 3.587 2.606 ( -3.193 -3.933 -0.070) 5.067 3.073 ( -0.788 3.311 -7.468) 8.207 4.117 ( 0.460 2.411 1.676) 2.972 4.471 ( -4.104 -7.306 -9.438) 12.621 5.003 ( -6.386 -9.798 -7.126) 13.695 5.643 ( 1.996 9.245 0.462) 9.469 5.896 ( 5.265 0.313 -4.229) 6.760 6.368 ( 4.963 2.331 -1.955) 5.821 6.497 ( -6.772 3.026 -17.494) 19.002 6.934 ( 5.878 -4.427 -12.319) 14.350 7.182 ( 0.716 10.893 -11.569) 15.906 7.891 ( -3.323 -2.234 21.206) 21.580 8.240 ( 6.041 -14.784 17.732) 23.864 8.813 ( -2.892 9.128 13.273) 16.366 14.252 ( -0.730 1.572 -0.107) 1.737 14.289 ( -2.307 -2.364 10.753) 11.249 16.375 ( -0.879 -0.457 0.448) 1.087 16.405 ( 0.766 -0.994 0.183) 1.268 18.053 ( 0.538 0.465 -2.786) 2.876 18.299 ( 3.128 2.183 -9.255) 10.010 ======================= Grid point 142 (64/226) ======================= q-point: (-0.27 0.09 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -9.536 -1.245 -5.604) 11.131 1.630 ( -12.769 -12.404 -7.922) 19.485 1.778 ( -13.362 -5.993 2.106) 14.795 2.360 ( -8.839 -3.558 -7.086) 11.874 2.492 ( -8.231 -4.387 5.736) 10.949 3.092 ( 3.436 3.450 -4.557) 6.668 4.126 ( -1.923 -0.613 1.682) 2.627 4.274 ( -4.109 -7.420 -6.895) 10.931 4.755 ( -9.065 -7.987 -6.253) 13.604 5.644 ( -5.738 3.713 -4.137) 7.989 5.979 ( 0.169 -1.064 0.636) 1.251 6.294 ( 0.827 2.493 -12.009) 12.293 6.489 ( 6.165 1.305 -6.358) 8.952 6.962 ( 5.189 0.862 -5.564) 7.656 7.261 ( 7.444 8.054 -13.846) 17.664 7.900 ( -9.945 5.108 17.140) 20.464 8.351 ( 12.626 -18.545 15.893) 27.494 8.962 ( -1.031 11.601 11.651) 16.474 14.253 ( -1.468 2.680 -0.168) 3.060 14.300 ( -1.588 -3.190 10.907) 11.474 16.360 ( -0.684 -0.265 -0.047) 0.735 16.404 ( 0.206 -1.432 0.531) 1.541 18.044 ( 0.048 0.107 -2.318) 2.321 18.323 ( 4.287 2.746 -9.102) 10.429 ======================= Grid point 143 (65/226) ======================= q-point: (-0.18 0.09 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -15.748 0.082 -7.966) 17.649 1.228 ( -12.841 -17.155 -12.177) 24.647 1.481 ( -17.862 -7.473 4.085) 19.788 2.100 ( -11.526 -5.587 -6.637) 14.426 2.307 ( -12.748 -8.209 6.606) 16.539 3.152 ( 2.808 1.472 -1.440) 3.482 4.067 ( -3.094 -0.920 -2.879) 4.326 4.149 ( -3.663 -4.820 1.934) 6.355 4.511 ( -9.092 -6.071 -4.134) 11.688 5.547 ( -5.357 1.686 -3.797) 6.779 5.835 ( -7.575 -5.273 -5.469) 10.728 6.406 ( 10.844 5.159 -6.385) 13.600 6.559 ( 4.514 1.950 -2.770) 5.644 7.007 ( 0.993 1.953 -0.624) 2.278 7.345 ( 4.986 -1.251 -4.602) 6.900 7.950 ( -1.673 14.041 3.375) 14.537 8.469 ( 9.152 -13.619 12.622) 20.702 9.106 ( 0.476 6.949 7.162) 9.991 14.252 ( -1.637 2.719 -0.312) 3.189 14.314 ( -1.019 -3.939 10.553) 11.310 16.350 ( -0.514 0.239 -0.073) 0.571 16.393 ( -0.376 -1.311 0.522) 1.460 18.028 ( -0.466 -0.233 -1.546) 1.632 18.367 ( 4.694 2.988 -8.370) 10.051 ======================= Grid point 144 (66/226) ======================= q-point: (-0.09 0.09 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -20.800 -0.102 -6.595) 21.821 0.773 ( -12.371 -21.602 -12.428) 27.823 1.158 ( -19.568 -8.342 10.324) 23.645 1.851 ( -9.004 -5.837 -2.139) 10.942 2.057 ( -14.248 -8.556 9.611) 19.198 3.175 ( -0.052 -0.258 0.031) 0.265 4.008 ( -2.877 1.305 -1.279) 3.408 4.059 ( -4.144 -4.190 1.709) 6.136 4.330 ( -6.020 -4.031 0.580) 7.268 5.480 ( -2.508 1.440 -1.747) 3.378 5.653 ( -4.757 -4.179 -6.118) 8.805 6.582 ( 9.271 5.260 -3.213) 11.133 6.631 ( 3.785 2.147 -1.827) 4.720 7.021 ( -1.060 1.959 0.079) 2.229 7.330 ( -0.661 -9.335 6.521) 11.407 8.136 ( 5.438 19.310 -5.141) 20.709 8.538 ( 3.062 -6.846 7.817) 10.833 9.176 ( 1.838 -0.796 -1.203) 2.337 14.248 ( -1.074 1.664 -0.419) 2.024 14.325 ( -0.821 -4.393 9.217) 10.243 16.348 ( -0.436 0.793 0.374) 0.979 16.376 ( -0.881 -0.628 0.096) 1.085 18.009 ( -0.699 -0.388 -0.576) 0.985 18.419 ( 4.382 2.971 -6.430) 8.329 ======================= Grid point 147 (67/226) ======================= q-point: ( 0.18 0.18 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 10.583 -2.773 23.097) 25.557 0.725 ( -15.023 -1.016 22.081) 26.726 1.212 ( 3.020 16.885 21.366) 27.399 1.886 ( -0.288 0.661 12.528) 12.549 2.099 ( -0.594 12.046 14.165) 18.604 3.153 ( 0.031 1.630 -0.765) 1.801 4.014 ( 1.134 0.796 3.808) 4.052 4.052 ( -0.186 1.476 4.883) 5.104 4.402 ( 0.402 1.548 8.664) 8.810 5.506 ( 0.372 -2.418 3.194) 4.023 5.571 ( -0.425 -0.199 4.976) 4.998 6.605 ( 0.494 -3.352 -5.896) 6.800 6.818 ( 1.254 -15.117 -0.821) 15.191 6.988 ( 1.577 1.478 -2.196) 3.081 7.405 ( -11.123 0.040 3.357) 11.619 8.215 ( 23.034 -9.118 -10.949) 27.085 8.550 ( -10.045 8.115 -1.674) 13.021 8.885 ( -5.233 9.738 -6.237) 12.694 14.236 ( -1.626 -0.086 -0.485) 1.699 14.340 ( -0.119 9.436 0.477) 9.449 16.351 ( 0.200 0.122 -0.118) 0.262 16.373 ( 0.879 0.244 0.862) 1.255 18.007 ( 0.018 -0.212 0.917) 0.942 18.489 ( 0.339 -10.411 -1.132) 10.477 ======================= Grid point 148 (68/226) ======================= q-point: ( 0.27 0.18 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 6.405 6.535 11.171) 14.440 0.990 ( 15.284 -2.955 20.474) 25.720 1.535 ( 4.931 12.232 17.698) 22.071 1.999 ( 3.657 2.205 11.268) 12.051 2.298 ( 2.597 9.530 11.807) 15.394 3.157 ( -0.241 0.405 -2.039) 2.093 4.009 ( -3.297 2.595 2.203) 4.739 4.190 ( 8.094 1.733 5.799) 10.107 4.524 ( 5.233 2.643 9.592) 11.242 5.495 ( 0.197 -0.503 -0.701) 0.885 5.631 ( 3.502 -2.204 5.434) 6.830 6.498 ( -3.335 -5.744 -7.778) 10.228 6.754 ( 8.435 -14.455 -2.013) 16.856 6.996 ( -0.206 -2.117 0.481) 2.180 7.200 ( -8.038 -4.271 -1.511) 9.227 8.366 ( -6.247 2.120 -4.885) 8.209 8.488 ( 6.888 7.877 -11.939) 15.876 8.840 ( -8.517 6.983 5.499) 12.311 14.213 ( -0.643 0.115 -0.905) 1.116 14.408 ( -3.633 8.628 4.568) 10.417 16.349 ( -0.375 0.887 -0.545) 1.107 16.403 ( 1.012 0.641 0.884) 1.489 18.011 ( 0.648 -0.801 0.216) 1.053 18.385 ( 1.258 -10.949 -3.705) 11.627 ======================= Grid point 149 (69/226) ======================= q-point: ( 0.36 0.18 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 17.033 11.278 1.605) 20.491 1.302 ( 12.234 -1.693 14.952) 19.393 1.802 ( 5.256 9.258 11.294) 15.520 2.178 ( 7.014 3.049 10.224) 12.768 2.486 ( 3.750 5.342 8.662) 10.845 3.118 ( -0.538 -3.011 -3.862) 4.926 4.002 ( -2.791 4.825 0.511) 5.598 4.374 ( 8.308 1.207 5.438) 10.003 4.717 ( 9.350 1.566 7.480) 12.076 5.513 ( 3.623 1.426 -4.426) 5.895 5.659 ( 1.107 -5.760 0.771) 5.916 6.331 ( -3.689 -6.135 -7.159) 10.125 6.768 ( 7.851 -8.757 -3.318) 12.220 6.945 ( 3.049 -14.479 3.454) 15.195 7.107 ( 1.315 -2.502 -3.169) 4.247 8.158 ( -20.222 16.149 -13.455) 29.168 8.582 ( 0.230 7.887 -3.794) 8.755 8.834 ( -5.180 0.644 15.413) 16.273 14.206 ( 0.352 -0.175 -0.726) 0.826 14.446 ( -5.979 7.709 8.600) 13.006 16.352 ( 0.133 1.253 -1.043) 1.635 16.422 ( -0.083 0.293 1.293) 1.328 18.014 ( 1.182 -1.195 -1.143) 2.033 18.289 ( 2.782 -9.844 -6.995) 12.393 ======================= Grid point 150 (70/226) ======================= q-point: ( 0.45 0.18 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 11.456 10.940 3.031) 16.127 1.518 ( 9.292 -0.638 7.717) 12.095 2.023 ( 7.583 7.588 2.568) 11.031 2.371 ( 4.680 3.243 10.346) 11.809 2.580 ( 0.061 -0.754 1.925) 2.068 3.069 ( 2.739 -4.752 -3.300) 6.401 4.023 ( -1.193 7.162 -0.408) 7.272 4.512 ( 5.516 -1.313 1.603) 5.893 4.912 ( 11.860 -3.351 1.311) 12.394 5.519 ( 0.792 -6.174 -9.368) 11.247 5.628 ( 4.222 0.852 -1.455) 4.546 6.217 ( -1.437 -2.200 -3.768) 4.594 6.770 ( 0.791 -0.726 -4.622) 4.745 6.891 ( 6.864 -14.018 -6.816) 17.032 7.145 ( 11.865 -15.980 10.095) 22.317 7.881 ( -22.583 20.215 -18.886) 35.712 8.620 ( -10.333 16.435 7.226) 20.714 8.857 ( -3.167 -4.756 18.793) 19.642 14.210 ( 0.915 -0.472 -0.244) 1.058 14.469 ( -7.573 7.239 11.455) 15.523 16.362 ( 0.650 1.095 -1.235) 1.774 16.422 ( -0.796 -0.347 1.410) 1.656 18.013 ( 1.588 -1.237 -2.609) 3.295 18.210 ( 4.315 -8.123 -9.543) 13.254 ======================= Grid point 151 (71/226) ======================= q-point: ( 0.55 0.18 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -3.790 4.060 4.810) 7.348 1.788 ( 11.921 3.129 4.213) 13.025 2.164 ( 2.059 1.809 -4.785) 5.514 2.479 ( -2.852 3.694 5.259) 7.031 2.543 ( 3.592 -5.745 0.718) 6.813 3.072 ( 3.115 -2.436 -3.689) 5.408 4.089 ( 0.551 7.924 0.165) 7.944 4.515 ( 1.179 -6.831 -7.062) 9.896 4.991 ( 8.007 -14.023 -4.180) 16.680 5.462 ( 4.919 2.276 -6.394) 8.382 5.730 ( 6.064 3.927 -4.905) 8.732 6.193 ( 1.442 1.271 -2.536) 3.182 6.719 ( -1.149 -4.170 -6.595) 7.887 6.813 ( 1.976 -3.521 -11.409) 12.103 7.293 ( 14.896 -19.264 15.978) 29.125 7.611 ( -14.935 13.960 -17.434) 26.868 8.624 ( -16.390 11.825 17.762) 26.906 8.906 ( -2.230 2.507 16.472) 16.810 14.222 ( 1.150 -0.798 0.509) 1.489 14.481 ( -8.507 6.547 12.758) 16.673 16.375 ( 0.906 0.483 -1.093) 1.500 16.410 ( -1.131 -0.718 1.280) 1.853 18.011 ( 1.887 -1.065 -3.474) 4.094 18.162 ( 5.768 -5.606 -11.221) 13.806 ======================= Grid point 152 (72/226) ======================= q-point: (-0.36 0.18 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -8.276 4.267 0.073) 9.311 1.928 ( -0.704 -6.883 1.222) 7.026 2.025 ( -5.399 -5.574 -3.763) 8.624 2.505 ( 1.870 2.540 -4.464) 5.466 2.581 ( -0.247 -2.388 8.388) 8.725 3.049 ( 0.056 0.509 -8.016) 8.033 4.167 ( -0.349 5.935 2.050) 6.289 4.359 ( -1.050 -10.947 -12.132) 16.375 4.902 ( 0.804 -13.134 -2.878) 13.470 5.621 ( 11.787 8.250 -6.456) 15.769 5.791 ( 2.327 2.660 -7.617) 8.397 6.253 ( 5.784 2.917 -3.643) 7.431 6.557 ( -6.535 -4.516 -11.241) 13.764 6.774 ( 1.224 3.539 -10.011) 10.688 7.314 ( -9.879 12.512 -9.164) 18.388 7.613 ( 20.690 -23.096 15.029) 34.458 8.538 ( -17.744 2.217 22.256) 28.550 9.028 ( -2.459 10.462 12.841) 16.745 14.237 ( 1.184 -1.127 1.333) 2.109 14.477 ( -8.574 4.869 12.327) 15.786 16.383 ( 0.644 -0.382 -0.727) 1.044 16.394 ( -1.024 -0.369 1.209) 1.627 18.011 ( 1.991 -0.846 -3.514) 4.127 18.152 ( 6.748 -2.404 -11.866) 13.860 ======================= Grid point 153 (73/226) ======================= q-point: (-0.27 0.18 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -11.043 3.269 -3.840) 12.140 1.621 ( -11.276 -15.694 -10.295) 21.896 1.946 ( -8.116 -4.290 5.627) 10.768 2.444 ( -8.566 -0.405 -4.025) 9.473 2.580 ( -2.597 -4.050 5.569) 7.359 3.024 ( 2.899 2.629 -8.626) 9.473 4.162 ( -2.406 -1.674 -5.678) 6.390 4.233 ( -1.155 -1.743 1.734) 2.717 4.752 ( -4.552 -8.866 -3.549) 10.579 5.735 ( -4.322 2.206 -4.303) 6.485 5.867 ( 12.542 3.982 -7.179) 14.990 6.305 ( -5.491 6.035 -18.919) 20.604 6.385 ( 3.122 1.015 -1.161) 3.482 6.797 ( 5.423 2.625 -8.025) 10.035 7.252 ( -2.432 10.072 -10.916) 15.051 7.865 ( 20.478 -19.745 20.334) 34.967 8.407 ( -15.454 -1.925 21.467) 26.521 9.147 ( -2.456 8.416 8.231) 12.025 14.254 ( 1.012 -1.301 1.797) 2.438 14.451 ( -7.555 1.806 10.564) 13.113 16.377 ( -0.837 0.238 0.587) 1.050 16.391 ( 0.172 -0.747 0.508) 0.920 18.013 ( 1.604 -0.398 -3.011) 3.434 18.183 ( 7.065 0.766 -11.242) 13.300 ======================= Grid point 154 (74/226) ======================= q-point: (-0.18 0.18 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -12.856 -10.527 -10.280) 19.540 1.279 ( -14.280 -0.893 -4.436) 14.979 1.742 ( -16.107 -3.805 4.584) 17.174 2.215 ( -12.983 -3.234 -4.666) 14.170 2.468 ( -9.750 -5.172 4.665) 11.982 3.084 ( 5.696 2.081 -3.707) 7.107 4.103 ( -2.083 2.556 -2.309) 4.026 4.205 ( -4.350 -1.665 5.064) 6.880 4.567 ( -7.438 -5.061 -3.120) 9.522 5.629 ( -5.820 -0.602 -2.744) 6.463 5.889 ( -6.737 -0.597 -8.330) 10.730 6.283 ( 7.385 13.398 -11.920) 19.394 6.477 ( 6.027 1.260 -2.259) 6.558 6.875 ( 7.861 -3.032 -2.920) 8.917 7.273 ( 2.582 8.994 -12.619) 15.710 8.121 ( 10.866 -5.686 16.877) 20.863 8.315 ( -5.069 -7.035 18.314) 20.263 9.188 ( -2.208 1.272 1.732) 3.081 14.266 ( 0.523 -0.993 1.288) 1.708 14.404 ( -5.410 -2.553 8.592) 10.469 16.374 ( -1.063 1.295 0.989) 1.945 16.387 ( 0.031 -1.129 0.719) 1.339 18.015 ( 0.694 0.220 -2.099) 2.222 18.247 ( 6.688 3.478 -9.510) 12.136 ======================= Grid point 155 (75/226) ======================= q-point: (-0.09 0.18 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -14.801 -6.151 -2.889) 16.287 1.019 ( -20.004 6.397 -4.867) 21.558 1.467 ( -18.673 -2.798 8.078) 20.537 1.972 ( -11.403 -1.598 -1.038) 11.561 2.269 ( -13.122 -5.498 7.462) 16.065 3.157 ( 2.850 0.718 -0.533) 2.987 4.085 ( -3.980 2.754 0.085) 4.841 4.126 ( -5.975 -1.348 3.376) 6.994 4.419 ( -6.937 -0.501 2.223) 7.301 5.539 ( -3.449 -0.399 0.777) 3.558 5.701 ( -8.804 2.335 -9.173) 12.927 6.495 ( 9.437 12.045 -5.357) 16.212 6.564 ( 5.276 1.604 -1.616) 5.746 6.932 ( 6.221 -7.908 1.552) 10.181 7.296 ( 0.191 3.097 -8.773) 9.305 8.281 ( -1.547 13.960 4.691) 14.808 8.397 ( 11.259 -13.674 16.925) 24.499 9.114 ( -1.933 -7.242 -6.704) 10.056 14.264 ( -0.501 -0.087 -0.921) 1.052 14.347 ( -2.350 -7.184 7.867) 10.910 16.374 ( -1.004 0.564 0.576) 1.287 16.383 ( -0.364 -0.097 1.137) 1.198 18.013 ( -0.252 0.621 -0.941) 1.156 18.336 ( 5.758 5.712 -6.652) 10.490 ======================= Grid point 158 (76/226) ======================= q-point: ( 0.18 0.27 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( -7.520 6.535 11.275) 15.046 1.122 ( -18.747 -0.676 17.926) 25.948 1.446 ( -0.510 10.939 18.108) 21.162 2.023 ( -4.438 5.013 10.684) 12.609 2.330 ( -3.901 11.162 12.393) 17.129 3.162 ( -0.352 1.076 -1.812) 2.137 3.959 ( 4.817 -1.944 2.786) 5.894 4.190 ( -7.645 2.017 6.882) 10.482 4.501 ( -3.979 1.883 8.039) 9.166 5.491 ( -0.002 -1.478 1.087) 1.835 5.653 ( -5.253 -0.044 5.227) 7.411 6.486 ( 3.982 -5.258 -7.456) 9.955 6.711 ( -6.493 -16.752 -2.085) 18.087 6.951 ( 3.798 1.421 -0.637) 4.105 7.517 ( -9.873 -14.984 -9.417) 20.265 7.802 ( 19.501 9.366 -0.411) 21.637 8.698 ( -0.489 0.453 8.301) 8.328 8.970 ( 1.433 15.610 -11.698) 19.559 14.253 ( -0.903 -0.944 0.684) 1.475 14.427 ( 3.582 12.927 1.342) 13.481 16.336 ( 0.945 0.131 -0.047) 0.955 16.381 ( -0.672 -0.555 1.555) 1.783 18.010 ( -0.587 -0.888 0.160) 1.076 18.373 ( -0.903 -11.663 -3.416) 12.186 ======================= Grid point 159 (77/226) ======================= q-point: ( 0.27 0.27 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 2.384 -0.813 17.415) 17.596 0.977 ( -6.754 -0.506 19.663) 20.797 1.675 ( 3.313 8.253 16.679) 18.901 2.090 ( -2.097 5.543 11.031) 12.522 2.458 ( -1.573 11.133 9.343) 14.619 3.145 ( -0.393 -1.309 -3.534) 3.789 4.073 ( 6.862 -0.789 4.581) 8.288 4.138 ( -4.039 1.647 4.643) 6.370 4.536 ( 1.192 0.047 6.882) 6.985 5.489 ( -0.113 -3.076 2.225) 3.798 5.619 ( -1.132 -1.139 4.694) 4.961 6.396 ( -1.225 -12.742 -9.928) 16.199 6.506 ( 3.711 -14.290 -2.768) 15.022 7.001 ( 0.313 2.009 -2.161) 2.967 7.130 ( -4.063 -20.274 -10.841) 23.347 8.242 ( 14.050 16.211 5.245) 22.084 8.687 ( -8.726 7.690 -0.155) 11.632 9.037 ( -3.321 13.274 -3.071) 14.023 14.231 ( -1.343 0.150 -0.308) 1.386 14.595 ( -1.449 16.246 2.982) 16.581 16.358 ( 0.360 0.739 -0.111) 0.829 16.386 ( 1.276 -0.102 0.915) 1.574 17.991 ( 0.090 -2.355 -0.220) 2.367 18.210 ( 0.609 -16.844 -3.951) 17.312 ======================= Grid point 160 (78/226) ======================= q-point: ( 0.36 0.27 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 7.893 5.467 6.889) 11.818 1.190 ( 11.463 -3.228 19.545) 22.887 1.888 ( 3.640 5.388 13.445) 14.935 2.196 ( 1.690 4.330 10.151) 11.165 2.595 ( -1.111 10.698 8.020) 13.416 3.065 ( -1.327 -6.200 -6.575) 9.134 4.101 ( -3.326 4.094 2.251) 5.735 4.256 ( 10.076 -1.644 4.443) 11.134 4.606 ( 5.904 -5.311 3.209) 8.565 5.464 ( 0.033 -1.926 -1.268) 2.307 5.615 ( -0.639 -3.922 0.575) 4.015 6.197 ( 3.203 -16.723 -6.476) 18.217 6.476 ( 8.397 -12.103 -2.251) 14.901 6.839 ( -1.705 -14.350 -6.692) 15.925 7.038 ( 0.234 0.879 -3.266) 3.391 8.503 ( -11.021 14.352 -2.776) 18.307 8.647 ( 2.744 13.201 2.286) 13.675 9.076 ( -7.420 11.661 6.339) 15.206 14.213 ( -0.998 0.820 -0.711) 1.475 14.713 ( -6.521 16.565 7.572) 19.345 16.359 ( -0.413 0.872 -0.504) 1.089 16.417 ( 1.443 0.006 0.429) 1.505 17.967 ( 1.201 -4.154 -1.346) 4.528 18.057 ( 4.040 -17.141 -6.496) 18.770 ======================= Grid point 161 (79/226) ======================= q-point: ( 0.45 0.27 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 16.296 7.519 1.010) 17.975 1.455 ( 11.939 -0.789 12.180) 17.073 2.040 ( 0.896 6.938 4.663) 8.408 2.354 ( 7.074 -0.284 11.192) 13.243 2.662 ( -5.973 3.738 2.232) 7.391 2.954 ( 2.137 -6.165 -4.477) 7.913 4.116 ( -1.910 6.771 0.391) 7.046 4.400 ( 6.995 -3.286 0.825) 7.772 4.643 ( 9.910 -13.930 -2.962) 17.350 5.409 ( -0.424 -5.362 -6.521) 8.453 5.585 ( 2.203 0.119 0.181) 2.214 6.135 ( 4.945 -8.152 -1.561) 9.662 6.525 ( 13.888 -14.096 0.402) 19.792 6.685 ( 1.153 -10.666 -5.822) 12.206 7.016 ( -0.937 -1.771 -0.200) 2.013 8.297 ( -21.143 17.289 -15.494) 31.401 8.881 ( 3.624 9.255 11.749) 15.389 9.092 ( -11.643 12.318 12.457) 21.035 14.206 ( -0.324 0.786 -0.559) 1.017 14.788 ( -10.057 15.394 11.707) 21.798 16.359 ( -0.016 0.995 -1.144) 1.516 16.430 ( 0.173 -0.605 0.694) 0.936 17.929 ( 6.794 -12.940 -7.670) 16.505 17.961 ( 2.608 -6.661 -4.353) 8.373 ======================= Grid point 162 (80/226) ======================= q-point: ( 0.55 0.27 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 11.667 -1.621 6.856) 13.629 1.711 ( 8.759 10.005 1.898) 13.432 2.099 ( 0.791 3.258 -6.043) 6.911 2.422 ( -1.787 -10.017 -6.145) 11.887 2.599 ( 1.615 0.850 9.741) 9.910 2.979 ( 2.867 0.042 0.433) 2.900 4.170 ( -0.449 8.820 -0.239) 8.834 4.361 ( 0.740 -11.150 -10.087) 15.054 4.675 ( 12.149 -14.159 -0.942) 18.680 5.349 ( 3.334 -1.011 -6.636) 7.495 5.666 ( 4.711 3.183 -1.206) 5.812 6.150 ( 3.508 -1.701 -1.090) 4.048 6.594 ( 1.488 -7.622 -4.478) 8.964 6.650 ( 14.637 -9.755 -1.234) 17.633 6.998 ( 4.052 -10.085 7.973) 13.480 7.992 ( -23.685 18.373 -19.884) 35.972 9.000 ( -4.910 -5.956 18.717) 20.247 9.138 ( -9.263 21.805 10.770) 26.024 14.210 ( 0.323 0.259 -0.013) 0.414 14.816 ( -12.410 12.183 13.530) 22.034 16.362 ( 0.376 0.794 -1.444) 1.691 16.425 ( -0.576 -0.790 1.100) 1.472 17.882 ( 10.201 -12.283 -11.406) 19.622 17.940 ( 2.270 -2.324 -3.230) 4.581 ======================= Grid point 163 (81/226) ======================= q-point: (-0.36 0.27 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( -2.679 2.413 4.521) 5.782 1.854 ( -0.901 -4.687 -3.005) 5.640 1.995 ( -0.829 -4.985 -6.135) 7.948 2.351 ( 8.528 -0.440 -8.728) 12.210 2.700 ( -1.619 1.066 10.866) 11.038 2.994 ( 0.311 -0.154 -4.384) 4.398 4.183 ( 0.651 -10.388 -11.440) 15.466 4.252 ( -0.457 8.118 1.397) 8.250 4.717 ( 7.475 -11.297 -0.345) 13.551 5.423 ( 10.435 4.239 -9.670) 14.845 5.742 ( 3.321 2.346 -4.156) 5.815 6.198 ( 3.304 1.926 -1.660) 4.169 6.516 ( -1.628 -4.006 -4.123) 5.975 6.744 ( 4.436 2.737 -8.211) 9.726 7.125 ( 20.033 -22.101 20.703) 36.309 7.659 ( -22.193 16.491 -19.540) 33.857 8.917 ( -12.983 -5.786 20.984) 25.345 9.256 ( -5.368 13.733 7.960) 16.756 14.220 ( 0.824 -0.482 0.733) 1.204 14.781 ( -13.187 6.618 12.388) 19.265 16.367 ( 0.551 0.363 -1.144) 1.321 16.417 ( -0.889 -0.016 1.427) 1.681 17.890 ( 10.043 -6.567 -10.276) 15.799 17.949 ( 3.882 -0.810 -4.490) 5.991 ======================= Grid point 164 (82/226) ======================= q-point: (-0.27 0.27 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -11.623 -9.635 -9.839) 18.021 1.656 ( -9.243 1.615 -0.458) 9.394 2.006 ( -0.647 -3.296 4.835) 5.887 2.463 ( 6.841 2.057 -5.216) 8.845 2.660 ( -9.191 -3.711 8.163) 12.840 2.956 ( 0.963 1.404 -9.217) 9.373 4.092 ( 2.293 -1.801 -5.562) 6.279 4.311 ( -2.183 4.994 3.423) 6.436 4.693 ( 1.153 -7.415 -1.519) 7.656 5.615 ( 15.165 6.241 -12.840) 20.828 5.757 ( 0.009 0.814 -3.299) 3.398 6.261 ( 3.438 3.881 -4.803) 7.068 6.420 ( -4.462 0.995 -5.179) 6.909 6.766 ( 0.517 6.785 -8.938) 11.233 7.352 ( -2.540 -1.995 -8.821) 9.393 7.473 ( 14.206 -8.083 18.306) 24.540 8.763 ( -15.577 -5.848 20.156) 26.136 9.297 ( -4.819 4.588 3.212) 7.388 14.235 ( 1.107 -1.188 1.379) 2.130 14.678 ( -11.991 0.010 9.149) 15.082 16.372 ( 0.555 -0.064 -0.362) 0.666 16.414 ( -1.123 0.984 1.443) 2.077 17.938 ( 5.943 -1.126 -5.145) 7.941 18.001 ( 7.392 1.490 -7.534) 10.659 ======================= Grid point 165 (83/226) ======================= q-point: (-0.18 0.27 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -13.044 -3.121 -3.985) 13.991 1.512 ( -12.858 5.044 -0.172) 13.813 1.934 ( -8.119 -3.183 5.326) 10.218 2.396 ( -13.594 0.369 -3.080) 13.943 2.550 ( -3.250 -5.530 4.145) 7.637 2.979 ( 6.002 3.002 -6.032) 9.023 4.134 ( 1.865 4.634 0.015) 4.995 4.308 ( -4.798 1.376 4.160) 6.498 4.615 ( -3.885 -1.377 -1.300) 4.322 5.676 ( -2.898 -1.062 -4.198) 5.210 5.833 ( 8.053 3.599 -8.252) 12.079 6.289 ( -0.309 12.799 -14.656) 19.460 6.393 ( 2.793 1.950 -0.221) 3.413 6.786 ( 1.046 4.323 -4.766) 6.519 7.239 ( -0.472 4.971 -12.819) 13.757 7.834 ( 22.116 -14.460 25.041) 36.404 8.586 ( -14.589 -4.476 16.107) 22.188 9.221 ( -4.701 -5.222 -2.797) 7.562 14.249 ( 1.072 -1.607 1.494) 2.442 14.528 ( -9.228 -5.598 5.870) 12.286 16.378 ( 0.432 -0.529 0.481) 0.835 16.414 ( -1.280 1.381 0.953) 2.111 17.983 ( 2.579 1.214 -1.973) 3.466 18.113 ( 8.385 5.472 -7.472) 12.493 ======================= Grid point 166 (84/226) ======================= q-point: (-0.09 0.27 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -13.586 8.797 5.864) 17.215 1.339 ( -15.350 5.887 -0.393) 16.444 1.777 ( -15.015 -0.177 8.168) 17.094 2.163 ( -13.054 2.748 -1.631) 13.439 2.440 ( -8.329 -3.657 4.733) 10.254 3.087 ( 6.353 1.821 -1.798) 6.849 4.150 ( -3.792 -1.329 -1.291) 4.220 4.266 ( -5.782 4.374 5.251) 8.952 4.565 ( -5.609 5.835 4.078) 9.063 5.593 ( -3.687 -0.879 0.727) 3.860 5.805 ( -6.035 3.903 -10.630) 12.831 6.390 ( 8.162 7.065 -10.773) 15.251 6.515 ( 6.623 10.495 0.914) 12.444 6.812 ( 2.391 -2.357 1.124) 3.541 7.244 ( 3.077 5.309 -12.754) 14.154 8.170 ( 16.430 -14.861 23.138) 32.034 8.461 ( -7.048 2.789 7.123) 10.401 9.021 ( -4.569 -13.876 -8.996) 17.157 14.254 ( 0.443 -1.296 -0.005) 1.370 14.376 ( -5.425 -8.657 5.208) 11.467 16.381 ( -0.020 -0.733 0.907) 1.166 16.409 ( -1.162 0.700 0.221) 1.374 18.015 ( 0.720 1.832 -0.895) 2.162 18.260 ( 7.097 7.955 -5.413) 11.956 ======================= Grid point 169 (85/226) ======================= q-point: ( 0.18 0.36 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -15.245 7.990 2.760) 17.432 1.487 ( -12.102 5.024 10.994) 17.104 1.660 ( -6.075 4.383 14.632) 16.438 2.224 ( -5.223 7.260 8.036) 12.024 2.550 ( -3.879 8.488 7.630) 12.054 3.154 ( -0.454 -0.542 -3.704) 3.771 3.890 ( 2.030 -2.790 1.157) 3.639 4.390 ( -8.460 1.764 9.420) 12.783 4.640 ( -7.654 -1.154 4.662) 9.036 5.509 ( -3.775 1.031 -3.620) 5.331 5.774 ( -4.398 1.548 4.054) 6.178 6.310 ( 4.979 -5.955 -8.215) 11.302 6.659 ( -10.346 -19.813 -6.492) 23.276 6.899 ( 3.660 -0.276 3.227) 4.887 7.297 ( -4.871 -27.004 -15.213) 31.374 7.810 ( 11.452 28.343 4.877) 30.956 8.678 ( 9.366 0.803 9.239) 13.180 9.002 ( 4.475 11.988 -3.634) 13.302 14.256 ( -0.145 -1.392 1.391) 1.973 14.473 ( 7.346 12.515 4.347) 15.149 16.336 ( -0.598 0.719 -0.056) 0.937 16.396 ( -0.525 -0.931 2.046) 2.309 18.010 ( -1.161 -1.430 -1.281) 2.244 18.270 ( -3.049 -10.911 -6.717) 13.171 ======================= Grid point 170 (86/226) ======================= q-point: ( 0.27 0.36 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -5.520 3.679 10.549) 12.462 1.294 ( -18.530 -3.035 15.055) 24.067 1.790 ( 1.527 5.430 13.385) 14.525 2.282 ( -4.423 8.557 9.781) 13.728 2.634 ( -1.367 10.546 5.769) 12.098 3.093 ( -0.608 -5.179 -5.983) 7.936 3.952 ( 7.048 -3.231 3.552) 8.528 4.309 ( -9.496 0.811 7.845) 12.344 4.559 ( -2.505 -3.810 1.070) 4.683 5.471 ( 0.082 -1.824 0.875) 2.024 5.706 ( -6.435 -0.940 4.229) 7.758 6.196 ( -3.067 -20.876 -13.089) 24.830 6.329 ( 0.940 -12.101 -4.630) 12.991 6.937 ( -4.356 -18.681 -8.675) 21.052 6.985 ( 3.662 2.833 -0.563) 4.664 8.266 ( 12.076 23.484 3.391) 26.624 8.833 ( -0.624 2.518 9.323) 9.677 9.153 ( 2.369 16.564 -4.659) 17.369 14.246 ( -0.690 -0.636 0.630) 1.130 14.752 ( 5.249 19.345 3.501) 20.347 16.350 ( 0.929 1.155 0.449) 1.549 16.390 ( -0.681 -0.697 1.632) 1.901 17.962 ( -0.979 -4.391 -1.633) 4.786 18.037 ( -3.087 -17.708 -5.913) 18.922 ======================= Grid point 171 (87/226) ======================= q-point: ( 0.36 0.36 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -2.384 -0.418 10.919) 11.184 1.178 ( -0.559 -4.376 19.359) 19.855 1.931 ( 3.069 -0.258 13.159) 13.515 2.349 ( -4.427 9.291 7.993) 13.031 2.772 ( 0.006 13.192 6.128) 14.546 2.949 ( -1.684 -12.167 -10.269) 16.010 4.082 ( 10.177 -4.667 4.630) 12.115 4.228 ( -6.325 1.792 4.438) 7.932 4.486 ( 1.016 -9.164 -3.458) 9.847 5.455 ( -1.365 -2.636 0.472) 3.005 5.619 ( -4.118 -4.529 -0.463) 6.139 5.906 ( 3.847 -20.798 -3.134) 21.382 6.273 ( 4.382 -7.736 -5.344) 10.374 6.704 ( -2.461 -12.012 -5.307) 13.361 7.043 ( 0.908 3.519 -2.074) 4.184 8.643 ( 9.866 15.706 4.010) 18.976 8.814 ( -9.717 6.607 -0.331) 11.756 9.318 ( -1.632 18.086 3.280) 18.453 14.233 ( -0.972 0.254 -0.086) 1.008 15.007 ( -1.382 23.184 5.244) 23.810 16.374 ( -0.432 0.607 0.635) 0.979 16.392 ( 1.366 -0.112 0.420) 1.434 17.764 ( 0.784 -23.495 -6.254) 24.325 17.928 ( 0.257 -4.421 -1.732) 4.755 ======================= Grid point 172 (88/226) ======================= q-point: ( 0.45 0.36 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 9.750 4.184 2.210) 10.838 1.338 ( 8.692 -6.671 18.333) 21.358 2.065 ( 6.254 -2.121 10.085) 12.054 2.404 ( -4.018 7.564 5.982) 10.447 2.690 ( -3.880 -17.390 -12.630) 21.840 2.936 ( 0.359 12.224 5.877) 13.568 4.200 ( -1.087 3.200 2.098) 3.978 4.236 ( 9.771 -5.539 3.078) 11.646 4.365 ( 2.361 -14.941 -8.488) 17.345 5.361 ( -3.266 -5.278 -3.390) 7.072 5.554 ( 1.704 -1.929 1.577) 3.019 5.902 ( 10.397 -12.241 4.196) 16.599 6.254 ( 6.440 -8.485 -3.632) 11.254 6.564 ( -0.384 -7.799 -3.623) 8.608 7.049 ( -2.079 2.701 -2.123) 4.016 8.653 ( -16.644 11.911 -9.554) 22.587 8.914 ( 7.143 5.515 7.186) 11.536 9.456 ( -6.634 18.445 8.003) 21.173 14.221 ( -0.856 0.681 -0.392) 1.162 15.184 ( -8.762 23.344 8.346) 26.294 16.368 ( -0.767 0.478 0.123) 0.912 16.415 ( 1.237 -0.420 0.052) 1.307 17.566 ( 7.671 -23.860 -7.882) 26.273 17.887 ( 1.001 -4.101 -1.889) 4.625 ======================= Grid point 173 (89/226) ======================= q-point: ( 0.55 0.36 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 14.236 2.077 2.295) 14.568 1.553 ( 15.084 -0.690 5.502) 16.071 2.124 ( -2.393 -5.863 -4.630) 7.845 2.377 ( -6.080 -2.170 -5.361) 8.391 2.508 ( 7.489 -7.791 5.640) 12.190 3.058 ( -2.704 9.427 5.659) 11.323 4.179 ( -0.306 -11.530 -10.444) 15.560 4.243 ( 0.728 6.420 -1.122) 6.558 4.369 ( 12.210 -11.316 3.101) 16.933 5.281 ( 0.037 -1.832 -2.414) 3.031 5.620 ( 3.871 1.924 1.019) 4.442 6.006 ( 10.968 -8.178 4.201) 14.312 6.290 ( 11.949 -11.461 -0.271) 16.559 6.502 ( 1.303 -4.324 -1.389) 4.725 7.007 ( -3.716 0.526 -0.589) 3.799 8.393 ( -21.392 15.024 -16.200) 30.753 9.060 ( 2.412 -2.855 11.697) 12.280 9.537 ( -9.607 16.364 7.588) 20.436 14.214 ( -0.445 0.527 -0.289) 0.748 15.243 ( -14.785 17.248 9.602) 24.664 16.363 ( -0.468 0.653 -0.290) 0.854 16.426 ( 0.478 -0.237 0.666) 0.853 17.489 ( 13.568 -17.949 -8.884) 24.191 17.865 ( 1.893 -2.920 -2.084) 4.056 ======================= Grid point 174 (90/226) ======================= q-point: ( 0.64 0.36 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 10.318 -4.839 7.267) 13.516 1.851 ( 9.656 2.606 -4.199) 10.847 1.870 ( -1.044 -6.807 -11.169) 13.121 2.277 ( -5.799 5.323 -4.604) 9.119 2.658 ( 10.249 -4.867 6.408) 13.030 3.070 ( -6.939 3.395 2.791) 8.214 4.036 ( 0.560 -5.868 -7.372) 9.439 4.325 ( 1.474 8.430 -1.514) 8.690 4.464 ( 11.133 -10.967 1.058) 15.663 5.300 ( 4.068 2.797 -3.307) 5.942 5.688 ( 2.810 1.906 -2.123) 4.005 6.129 ( 6.778 -0.687 1.191) 6.916 6.431 ( 16.010 -12.509 1.080) 20.346 6.508 ( 5.021 -2.308 3.177) 6.374 6.957 ( -0.770 -3.825 4.326) 5.826 8.063 ( -24.039 16.269 -19.374) 34.898 9.086 ( -3.399 -8.189 15.687) 18.019 9.537 ( -10.225 10.095 3.381) 14.761 14.213 ( 0.107 -0.036 0.085) 0.141 15.148 ( -17.240 6.139 7.774) 19.883 16.362 ( -0.105 0.566 -0.457) 0.735 16.439 ( -0.264 1.077 1.400) 1.786 17.555 ( 15.772 -7.793 -7.617) 19.171 17.871 ( 2.885 -0.953 -2.070) 3.676 ======================= Grid point 175 (91/226) ======================= q-point: (-0.27 0.36 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -9.082 -1.612 -3.735) 9.951 1.759 ( 2.049 -3.678 6.453) 7.705 2.039 ( -0.293 5.738 -0.981) 5.828 2.286 ( 8.957 3.480 -7.453) 12.161 2.766 ( 2.287 -3.340 5.353) 6.712 2.948 ( -7.881 -0.671 -3.732) 8.746 4.021 ( 3.378 2.356 -2.374) 4.754 4.399 ( -0.555 4.792 1.711) 5.119 4.543 ( 9.055 -4.913 -2.948) 10.716 5.417 ( 8.454 6.905 -6.245) 12.575 5.728 ( 2.281 1.389 -1.584) 3.105 6.220 ( 3.848 2.862 -1.854) 5.142 6.447 ( -0.642 -2.619 -0.834) 2.822 6.686 ( 10.677 1.189 -4.962) 11.833 7.040 ( 14.342 -13.671 17.715) 26.578 7.719 ( -21.487 14.451 -16.364) 30.631 9.006 ( -9.011 -10.165 17.428) 22.097 9.433 ( -9.505 0.393 -2.558) 9.851 14.217 ( 0.649 -0.744 0.511) 1.112 14.930 ( -16.009 -3.723 4.913) 17.154 16.364 ( 0.241 0.277 -0.329) 0.493 16.449 ( -0.866 1.295 1.072) 1.892 17.730 ( 13.980 1.939 -4.802) 14.909 17.913 ( 3.771 1.301 -1.979) 4.453 ======================= Grid point 176 (92/226) ======================= q-point: (-0.18 0.36 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -11.821 8.289 2.534) 14.659 1.724 ( -7.606 0.253 2.748) 8.092 2.039 ( -3.622 2.185 4.982) 6.535 2.427 ( 7.856 0.241 -4.931) 9.279 2.663 ( -13.300 -3.764 5.182) 14.762 2.891 ( 3.838 3.090 -6.144) 7.876 4.126 ( 4.492 4.081 1.493) 6.250 4.414 ( -2.913 2.798 3.001) 5.032 4.623 ( 4.072 3.915 -2.884) 6.342 5.572 ( 8.131 4.874 -9.582) 13.479 5.778 ( 1.620 3.995 0.920) 4.408 6.277 ( 1.904 3.419 -3.766) 5.431 6.418 ( -0.370 3.245 -1.743) 3.702 6.783 ( 3.844 7.142 -8.952) 12.080 7.209 ( 2.167 -3.937 -2.875) 5.335 7.599 ( 7.401 -2.002 13.873) 15.851 8.844 ( -12.838 -9.509 15.762) 22.443 9.213 ( -8.210 -10.520 -8.354) 15.744 14.225 ( 0.991 -1.358 0.728) 1.832 14.663 ( -12.694 -9.187 3.087) 15.971 16.370 ( 0.434 -0.077 0.186) 0.479 16.446 ( -1.061 0.570 0.023) 1.205 17.929 ( 6.779 4.835 -1.012) 8.388 18.003 ( 7.411 6.047 -3.503) 10.186 ======================= Grid point 177 (93/226) ======================= q-point: (-0.09 0.36 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -11.453 9.279 5.511) 15.736 1.596 ( -11.236 3.357 1.330) 11.802 2.026 ( -8.096 2.291 10.741) 13.644 2.386 ( -10.593 4.097 -5.670) 12.694 2.515 ( -3.148 -3.150 4.972) 6.674 2.992 ( 6.463 4.311 -1.851) 7.986 4.167 ( -1.620 -2.856 -0.423) 3.311 4.427 ( -3.925 6.238 4.504) 8.637 4.725 ( -0.056 12.247 2.549) 12.509 5.607 ( 1.290 -0.495 -4.964) 5.153 5.826 ( -1.340 5.398 -6.114) 8.265 6.299 ( 1.706 2.496 -6.037) 6.752 6.535 ( 6.645 12.254 2.504) 14.163 6.828 ( -1.370 6.412 -3.997) 7.679 7.150 ( 2.424 4.372 -13.959) 14.827 7.912 ( 18.299 -13.309 25.051) 33.757 8.648 ( -11.834 -5.351 8.891) 15.740 8.892 ( -6.386 -19.704 -11.281) 23.586 14.230 ( 0.867 -1.569 0.230) 1.807 14.426 ( -8.110 -10.020 3.577) 13.377 16.378 ( 0.358 -0.388 0.808) 0.965 16.428 ( -1.127 -0.192 -0.850) 1.425 18.013 ( 1.761 2.934 -0.415) 3.448 18.193 ( 7.835 9.756 -3.651) 13.035 ======================= Grid point 180 (94/226) ======================= q-point: ( 0.18 0.45 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -12.700 4.113 3.159) 13.718 1.696 ( -2.189 9.774 1.965) 10.207 1.928 ( -12.769 1.100 11.941) 17.517 2.374 ( -0.822 3.602 5.646) 6.747 2.688 ( -1.148 6.836 1.963) 7.204 3.118 ( -0.805 -3.518 -5.990) 6.993 3.877 ( -2.708 -1.076 -0.474) 2.952 4.573 ( -4.759 2.208 6.279) 8.183 4.774 ( -12.231 -7.522 2.118) 14.514 5.576 ( -5.824 2.997 -8.567) 10.784 5.833 ( 1.998 4.323 -0.353) 4.776 6.156 ( 0.497 -5.416 -6.919) 8.801 6.567 ( -7.990 -20.270 -11.132) 24.467 6.895 ( -2.266 -3.865 4.848) 6.602 7.103 ( -5.520 -17.152 -7.055) 19.350 7.899 ( 10.081 23.608 -1.455) 25.711 8.590 ( 12.960 7.168 12.746) 19.540 8.991 ( 7.970 4.830 6.619) 11.431 14.251 ( 0.248 -1.602 1.537) 2.234 14.484 ( 8.956 10.328 7.550) 15.617 16.363 ( -1.196 1.619 0.155) 2.018 16.405 ( -0.025 -1.043 2.118) 2.362 18.006 ( -1.714 -1.596 -2.803) 3.652 18.190 ( -4.947 -9.228 -9.533) 14.160 ======================= Grid point 181 (95/226) ======================= q-point: ( 0.27 0.45 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -11.927 3.690 4.014) 13.114 1.652 ( -17.864 0.857 7.915) 19.557 1.892 ( -0.050 4.072 8.927) 9.812 2.454 ( -0.696 5.810 7.364) 9.406 2.749 ( -0.318 7.314 0.786) 7.363 3.001 ( -1.097 -8.120 -7.749) 11.278 3.867 ( 2.213 -1.940 2.246) 3.702 4.519 ( -9.723 -2.883 10.053) 14.280 4.550 ( -4.928 -7.104 -5.333) 10.158 5.482 ( -3.033 1.110 -3.541) 4.793 5.809 ( -5.858 -2.942 -1.089) 6.645 5.995 ( -3.522 -16.784 -9.425) 19.569 6.219 ( -4.676 -11.147 -2.636) 12.372 6.836 ( -5.780 -13.119 -3.783) 14.827 6.944 ( 3.962 1.305 2.049) 4.648 8.259 ( 13.653 20.101 -7.847) 25.535 8.904 ( 4.610 4.016 17.537) 18.572 9.208 ( 7.227 14.723 0.350) 16.405 14.249 ( 0.012 -1.110 1.131) 1.585 14.820 ( 11.135 17.771 6.053) 21.828 16.369 ( -0.723 2.251 0.794) 2.494 16.405 ( -0.515 -0.953 2.250) 2.497 17.899 ( -7.452 -16.309 -9.096) 20.106 17.945 ( -1.583 -4.664 -2.795) 5.663 ======================= Grid point 182 (96/226) ======================= q-point: ( 0.36 0.45 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -3.949 -0.131 9.701) 10.475 1.388 ( -17.545 -4.190 11.117) 21.189 1.978 ( 0.007 -0.594 9.456) 9.475 2.531 ( -1.799 7.042 4.842) 8.733 2.714 ( 0.400 -15.368 -10.520) 18.628 2.954 ( -0.378 10.938 1.435) 11.039 3.926 ( 6.238 -4.428 3.625) 8.465 4.354 ( -1.846 -11.834 -5.225) 13.068 4.413 ( -10.112 -0.773 5.273) 11.430 5.457 ( -0.019 -0.207 0.160) 0.262 5.575 ( -5.604 -15.048 -6.741) 17.415 5.804 ( -4.664 -5.706 4.910) 8.856 6.124 ( 1.779 -6.016 -3.997) 7.439 6.636 ( -4.077 -9.391 -2.492) 10.536 7.031 ( 3.328 3.097 -0.907) 4.635 8.586 ( 13.443 14.099 -6.775) 20.625 8.996 ( -4.975 2.093 7.867) 9.541 9.486 ( 4.790 19.063 3.760) 20.012 14.244 ( -0.382 -0.394 0.509) 0.748 15.203 ( 8.396 24.066 4.048) 25.808 16.385 ( -0.136 1.272 0.555) 1.395 16.401 ( -1.040 0.095 2.344) 2.566 17.537 ( -6.186 -24.919 -7.409) 26.723 17.880 ( -0.562 -4.109 -1.906) 4.564 ======================= Grid point 183 (97/226) ======================= q-point: ( 0.45 0.45 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -4.250 -0.600 6.195) 7.536 1.294 ( 2.462 -8.566 18.369) 20.417 2.010 ( 1.920 -5.687 8.315) 10.255 2.433 ( -0.380 -21.731 -13.743) 25.715 2.599 ( -4.300 8.239 3.704) 10.004 3.098 ( 0.181 14.580 2.487) 14.792 4.016 ( 8.927 -8.447 4.316) 13.026 4.191 ( -0.293 -10.967 -7.381) 13.223 4.303 ( -6.575 0.346 4.155) 7.785 5.353 ( -4.092 -7.688 -1.233) 8.796 5.491 ( 3.948 -2.946 1.668) 5.201 5.764 ( 0.539 -4.217 5.200) 6.716 6.089 ( 3.432 -5.717 -3.331) 7.454 6.505 ( -1.913 -5.854 -1.684) 6.385 7.080 ( 0.223 3.213 -2.139) 3.866 8.841 ( 9.055 5.507 -1.149) 10.660 8.923 ( -9.558 7.089 -2.981) 12.268 9.710 ( -0.409 15.896 4.474) 16.519 14.236 ( -0.687 0.169 0.013) 0.707 15.539 ( 0.067 28.577 1.764) 28.632 16.388 ( 0.167 -0.342 0.670) 0.770 16.405 ( -1.261 0.780 2.042) 2.523 17.202 ( 1.258 -29.109 -4.710) 29.515 17.831 ( 0.244 -3.777 -1.143) 3.953 ======================= Grid point 184 (98/226) ======================= q-point: ( 0.55 0.45 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 10.459 2.503 -0.986) 10.800 1.404 ( 6.894 -9.650 16.641) 20.435 2.006 ( 0.388 -9.764 -5.675) 11.300 2.239 ( 6.947 -12.453 2.728) 14.518 2.599 ( -7.245 7.372 1.642) 10.466 3.216 ( -1.746 9.912 0.530) 10.078 4.034 ( 0.853 -8.030 -3.618) 8.849 4.134 ( 8.261 -9.782 4.455) 13.556 4.273 ( -0.468 2.940 -0.497) 3.019 5.268 ( -0.876 -2.542 0.701) 2.778 5.575 ( 6.177 -0.191 3.435) 7.071 5.791 ( 5.906 -7.548 5.050) 10.833 6.087 ( 4.828 -5.141 -2.116) 7.364 6.452 ( 0.646 -2.493 0.157) 2.580 7.068 ( -3.016 2.215 -2.235) 4.358 8.722 ( -16.319 9.254 -10.093) 21.302 9.026 ( 6.396 0.146 3.628) 7.355 9.807 ( -5.094 10.241 2.018) 11.614 14.227 ( -0.762 0.359 -0.241) 0.876 15.677 ( -13.129 21.224 -2.430) 25.074 16.393 ( -2.026 -0.322 2.839) 3.502 16.417 ( 1.710 1.961 1.445) 2.976 17.046 ( 13.276 -23.049 -1.685) 26.652 17.808 ( 1.105 -2.377 -0.478) 2.664 ======================= Grid point 185 (99/226) ======================= q-point: ( 0.64 0.45 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 13.393 -1.000 1.971) 13.574 1.574 ( 15.844 -1.817 1.892) 16.060 1.855 ( -5.327 -1.456 -3.144) 6.355 2.376 ( 8.604 -1.264 3.927) 9.542 2.541 ( -4.629 2.051 1.779) 5.366 3.206 ( -5.321 0.708 -1.584) 5.597 3.981 ( -0.438 0.411 -1.375) 1.501 4.212 ( 9.164 -9.486 3.778) 13.720 4.333 ( 3.982 4.583 -1.835) 6.343 5.282 ( 1.691 2.755 1.475) 3.553 5.673 ( 1.665 3.188 0.072) 3.597 5.923 ( 16.762 -11.489 10.089) 22.688 6.125 ( 7.008 -4.171 -1.841) 8.360 6.478 ( 2.508 0.206 2.718) 3.704 7.006 ( -4.607 0.296 -1.129) 4.752 8.444 ( -21.007 12.713 -16.318) 29.482 9.102 ( 2.049 -6.504 8.817) 11.147 9.758 ( -8.831 2.958 -2.042) 9.534 14.217 ( -0.559 0.150 -0.290) 0.647 15.497 ( -18.715 3.028 -4.235) 19.425 16.376 ( -1.131 -0.461 1.330) 1.806 16.467 ( -0.236 2.512 1.398) 2.885 17.188 ( 19.365 -5.241 1.949) 20.156 17.819 ( 2.082 -0.242 -0.028) 2.096 ======================= Grid point 186 (100/226) ======================= q-point: (-0.27 -0.55 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 10.236 -4.677 7.939) 13.772 1.774 ( -5.404 5.764 2.047) 8.162 1.870 ( 16.724 5.516 -8.651) 19.620 2.363 ( -9.621 7.140 -1.906) 12.131 2.645 ( 10.832 -1.848 4.852) 12.013 3.061 ( -8.401 -4.498 -2.162) 9.771 4.008 ( 1.510 3.649 0.915) 4.054 4.313 ( 10.632 -4.567 0.564) 11.585 4.429 ( 3.141 5.634 -2.321) 6.855 5.391 ( 3.673 8.522 2.419) 9.590 5.712 ( 1.102 2.547 0.345) 2.797 6.152 ( 8.831 -0.899 4.443) 9.927 6.230 ( 16.391 -10.326 1.151) 19.406 6.566 ( 4.368 2.409 4.639) 6.812 6.946 ( -0.496 -3.036 3.504) 4.662 8.102 ( -23.264 13.933 -18.679) 32.928 9.081 ( -2.257 -11.518 11.441) 16.390 9.559 ( -11.781 -4.988 -6.428) 14.318 14.209 ( -0.108 -0.322 -0.236) 0.414 15.154 ( -17.652 -7.889 -3.156) 19.591 16.367 ( -0.400 -0.075 0.385) 0.560 16.472 ( -0.612 0.072 -0.255) 0.667 17.516 ( 16.969 7.472 3.504) 18.869 17.868 ( 3.010 1.947 0.127) 3.587 ======================= Grid point 187 (101/226) ======================= q-point: (-0.18 0.45 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -4.709 -2.355 3.696) 6.433 1.771 ( -1.177 5.877 3.867) 7.133 2.086 ( 10.288 2.533 -5.993) 12.173 2.307 ( -1.823 3.953 0.691) 4.407 2.822 ( 5.878 5.235 4.145) 8.896 2.856 ( -10.363 -3.616 -2.863) 11.343 4.093 ( 4.219 0.603 3.246) 5.357 4.473 ( 5.642 4.115 4.005) 8.050 4.506 ( 7.226 6.853 -9.515) 13.774 5.537 ( 0.763 9.304 1.175) 9.409 5.793 ( 3.762 5.694 2.835) 7.390 6.253 ( 3.114 2.504 -0.990) 4.117 6.376 ( 8.384 -4.597 2.932) 10.001 6.686 ( 5.777 5.072 -5.400) 9.395 7.047 ( 11.573 -7.041 13.039) 18.802 7.772 ( -18.088 10.847 -12.553) 24.545 8.965 ( -5.242 -15.632 9.849) 19.206 9.225 ( -14.399 -11.684 -8.688) 20.478 14.205 ( 0.431 -0.863 -0.127) 0.973 14.790 ( -14.497 -12.061 -1.087) 18.890 16.366 ( 0.143 0.035 0.178) 0.231 16.454 ( -0.498 -0.911 -1.158) 1.555 17.857 ( 11.425 11.201 2.845) 16.251 17.949 ( 4.221 4.255 -0.464) 6.012 ======================= Grid point 188 (102/226) ======================= q-point: (-0.09 0.45 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -7.716 -2.600 2.486) 8.513 1.774 ( -5.957 5.474 0.410) 8.101 2.188 ( 0.411 1.467 6.753) 6.923 2.357 ( 4.942 -1.205 -2.530) 5.681 2.655 ( -9.965 0.690 -2.936) 10.411 2.976 ( 2.911 8.163 3.210) 9.242 4.148 ( 1.139 -3.420 2.385) 4.322 4.538 ( -0.596 5.466 0.129) 5.500 4.754 ( 12.342 14.893 -4.170) 19.786 5.574 ( -2.470 2.947 -1.128) 4.008 5.895 ( -1.682 5.916 -0.403) 6.163 6.288 ( -0.160 2.630 -2.625) 3.719 6.542 ( 8.368 7.639 8.755) 14.319 6.804 ( 8.475 7.705 -8.910) 14.511 7.139 ( -3.343 3.684 -8.235) 9.621 7.714 ( 8.222 -5.679 14.221) 17.381 8.721 ( -6.050 -23.899 -9.339) 26.362 8.849 ( -15.265 -9.500 6.757) 19.207 14.205 ( 0.772 -1.238 0.080) 1.461 14.488 ( -9.818 -11.367 1.778) 15.125 16.373 ( 0.445 -0.123 0.500) 0.680 16.429 ( -0.566 -0.942 -1.459) 1.827 18.009 ( 2.293 3.559 0.167) 4.236 18.149 ( 7.900 11.375 -1.200) 13.901 ======================= Grid point 191 (103/226) ======================= q-point: ( 0.18 0.55 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 0.163 2.011 4.058) 4.532 1.821 ( -6.547 4.619 -2.840) 8.501 2.167 ( -5.398 1.829 7.165) 9.155 2.379 ( 2.237 -2.076 3.580) 4.704 2.747 ( 2.399 6.195 0.934) 6.708 3.031 ( -0.926 -7.576 -9.593) 12.259 3.948 ( -6.226 1.378 -1.351) 6.519 4.620 ( 1.187 -0.762 -2.105) 2.534 4.923 ( -14.994 -10.104 -1.129) 18.116 5.569 ( 2.364 1.915 -8.320) 8.859 5.855 ( -0.480 7.964 -4.893) 9.359 6.128 ( -6.733 -2.037 -6.198) 9.376 6.428 ( -4.167 -15.324 -10.160) 18.852 6.924 ( -4.881 -4.822 -2.295) 7.235 7.057 ( -2.890 -5.051 -2.174) 6.212 7.896 ( 4.744 4.674 0.323) 6.668 8.603 ( 12.284 18.563 17.431) 28.272 8.925 ( 9.745 -1.623 13.265) 16.539 14.239 ( 0.322 -1.667 1.153) 2.053 14.479 ( 8.799 7.402 10.607) 15.644 16.395 ( -0.265 0.707 1.082) 1.319 16.406 ( 0.135 0.411 1.102) 1.183 18.002 ( -2.183 -1.388 -3.664) 4.486 18.142 ( -6.545 -6.556 -11.648) 14.883 ======================= Grid point 192 (104/226) ======================= q-point: ( 0.27 0.55 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -12.382 1.223 3.208) 12.849 1.836 ( 3.155 6.095 -4.733) 8.337 2.056 ( -14.236 -1.049 8.145) 16.435 2.467 ( 6.285 -0.458 2.884) 6.930 2.785 ( -4.706 -5.416 -6.504) 9.684 2.906 ( 3.464 0.844 -2.449) 4.325 3.889 ( -3.225 2.310 0.806) 4.048 4.507 ( -7.183 -12.118 -8.247) 16.324 4.676 ( -6.115 -2.840 5.212) 8.523 5.521 ( -2.995 2.698 -8.051) 9.004 5.816 ( -5.956 -7.572 -6.648) 11.706 5.931 ( -5.641 -3.277 -1.551) 6.706 6.234 ( -5.296 -5.213 -0.102) 7.432 6.809 ( -4.904 -7.727 -3.567) 9.822 6.940 ( -2.328 -3.968 7.263) 8.598 8.100 ( 15.613 12.674 -14.219) 24.629 8.989 ( 4.577 2.733 21.259) 21.917 9.196 ( 12.605 13.771 5.044) 19.338 14.241 ( 0.519 -1.235 1.020) 1.684 14.812 ( 13.211 12.969 9.126) 20.640 16.404 ( -0.313 0.135 1.612) 1.647 16.422 ( -0.321 1.597 1.612) 2.292 17.840 ( -10.729 -13.181 -11.731) 20.651 17.925 ( -2.262 -2.530 -3.360) 4.776 ======================= Grid point 193 (105/226) ======================= q-point: ( 0.36 0.55 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -9.734 -0.464 4.363) 10.677 1.733 ( -20.353 0.494 3.636) 20.681 1.969 ( 3.687 -4.033 -1.076) 5.569 2.525 ( -6.885 -15.220 -5.774) 17.675 2.576 ( 5.929 0.812 -0.536) 6.008 3.045 ( 3.618 10.729 2.620) 11.622 3.884 ( -1.008 1.110 1.953) 2.462 4.239 ( -4.091 -12.497 -7.147) 14.966 4.595 ( -7.643 -2.645 6.404) 10.317 5.443 ( -2.740 -1.631 -5.933) 6.735 5.573 ( -8.598 -6.062 -0.252) 10.523 5.844 ( -3.213 -4.554 1.240) 5.710 6.118 ( -6.256 -1.958 2.657) 7.073 6.622 ( -5.495 -8.516 -0.457) 10.145 6.990 ( 4.109 1.444 1.262) 4.534 8.396 ( 17.424 13.297 -15.417) 26.797 9.104 ( -1.021 -3.199 12.915) 13.345 9.556 ( 9.627 15.960 4.001) 19.063 14.244 ( 0.283 -0.762 0.736) 1.096 15.224 ( 15.595 17.258 4.542) 23.699 16.405 ( -0.688 -0.463 1.486) 1.702 16.445 ( -0.594 2.648 1.887) 3.305 17.438 ( -13.198 -18.805 -8.024) 24.335 17.852 ( -1.613 -2.753 -2.149) 3.847 ======================= Grid point 194 (106/226) ======================= q-point: ( 0.45 0.55 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -2.015 -4.268 9.050) 10.206 1.427 ( -17.800 -3.915 7.269) 19.621 1.953 ( 2.888 -6.759 -4.106) 8.419 2.258 ( -7.017 -14.141 2.312) 15.955 2.672 ( 3.868 3.101 -1.194) 5.099 3.204 ( 2.188 11.124 -1.273) 11.408 3.896 ( 1.955 -2.750 3.039) 4.541 4.077 ( -0.901 -7.809 -3.236) 8.501 4.468 ( -9.903 -2.981 7.348) 12.686 5.320 ( -2.600 -7.707 -0.407) 8.144 5.481 ( -2.933 1.897 0.595) 3.543 5.773 ( -1.234 -4.590 1.874) 5.110 6.044 ( -3.345 -1.097 2.732) 4.456 6.491 ( -3.073 -4.842 -0.201) 5.738 7.070 ( 2.985 2.418 -1.097) 3.995 8.675 ( 14.946 9.057 -10.832) 20.561 9.083 ( -5.880 -0.577 4.219) 7.260 9.808 ( 5.091 10.033 0.600) 11.267 14.244 ( -0.129 -0.282 0.395) 0.502 15.645 ( 14.622 20.524 -4.722) 25.639 16.393 ( -0.984 -0.231 0.247) 1.041 16.471 ( -0.985 2.755 2.168) 3.642 17.016 ( -12.102 -23.007 1.708) 26.051 17.802 ( -0.754 -2.136 -0.456) 2.310 ======================= Grid point 195 (107/226) ======================= q-point: ( 0.55 0.55 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -5.211 -2.047 3.708) 6.715 1.326 ( 3.966 -11.661 16.550) 20.631 1.932 ( 0.622 1.851 -1.623) 2.539 2.113 ( -0.682 -10.063 9.444) 13.817 2.718 ( -0.338 2.155 -1.966) 2.936 3.270 ( 0.163 5.107 -8.497) 9.915 3.960 ( 6.055 -3.845 8.717) 11.289 4.010 ( -0.838 -2.384 -0.211) 2.536 4.347 ( -7.004 -1.577 5.172) 8.849 5.255 ( 0.209 -3.623 2.328) 4.312 5.491 ( 2.886 -0.471 1.347) 3.220 5.745 ( 0.409 -3.279 2.050) 3.888 6.023 ( -0.757 -0.639 2.967) 3.128 6.438 ( -0.457 -1.201 1.089) 1.685 7.102 ( -0.354 2.133 -2.230) 3.106 8.876 ( 7.202 1.829 -3.023) 8.022 8.975 ( -7.183 4.305 -5.591) 10.069 9.901 ( 0.349 3.092 -3.738) 4.864 14.239 ( -0.563 0.049 0.062) 0.568 15.890 ( 1.421 14.546 -22.767) 27.055 16.391 ( 1.207 0.423 -0.114) 1.284 16.490 ( -0.576 1.548 0.830) 1.848 16.757 ( -1.626 -16.579 21.370) 27.096 17.785 ( 0.088 -0.767 1.074) 1.323 ======================= Grid point 196 (108/226) ======================= q-point: (-0.36 -0.45 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 10.159 0.118 -2.629) 10.495 1.405 ( 6.772 -11.731 14.801) 20.064 1.966 ( -2.567 6.327 3.113) 7.504 2.214 ( 9.657 1.233 11.663) 15.192 2.671 ( -4.941 0.593 -3.104) 5.865 3.205 ( -1.385 -2.988 -10.329) 10.841 3.984 ( 1.136 -3.998 0.975) 4.269 4.123 ( 3.787 3.170 14.433) 15.255 4.297 ( 0.078 0.955 -1.198) 1.534 5.291 ( 2.712 2.582 3.588) 5.186 5.590 ( 10.364 -3.042 2.533) 11.094 5.744 ( 1.150 -3.840 4.274) 5.859 6.046 ( 1.529 0.615 2.954) 3.383 6.467 ( 2.020 1.768 2.947) 3.987 7.069 ( -3.694 0.983 -2.516) 4.577 8.739 ( -15.519 6.739 -10.835) 20.091 9.020 ( 5.952 -3.764 0.637) 7.071 9.830 ( -4.360 -3.589 -7.806) 9.634 14.228 ( -0.847 0.124 -0.273) 0.899 15.675 ( -12.220 -3.407 -21.843) 25.260 16.395 ( -0.884 -1.106 1.420) 2.004 16.480 ( 0.735 -2.491 -1.562) 3.031 16.979 ( 12.607 6.996 21.526) 25.908 17.804 ( 0.972 1.023 1.971) 2.423 ======================= Grid point 197 (109/226) ======================= q-point: (-0.27 -0.45 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 15.586 -1.454 -1.817) 15.759 1.534 ( 13.698 -5.326 2.652) 14.934 1.984 ( -3.541 4.039 0.973) 5.459 2.510 ( 7.175 10.581 10.374) 16.464 2.557 ( -4.014 -0.630 -1.332) 4.276 3.069 ( -2.822 -6.105 -7.566) 10.123 3.986 ( 3.015 -4.613 2.317) 5.979 4.241 ( -0.329 4.521 5.515) 7.138 4.389 ( 6.458 4.873 0.954) 8.146 5.442 ( 5.161 10.633 6.658) 13.566 5.736 ( 1.670 3.445 0.018) 3.829 5.822 ( 17.295 -11.951 9.249) 22.967 6.118 ( 3.508 1.737 3.395) 5.182 6.564 ( 3.718 3.889 5.035) 7.369 6.983 ( -4.843 -0.863 -1.761) 5.225 8.446 ( -19.945 10.137 -17.031) 28.118 9.026 ( 1.422 -11.973 4.155) 12.753 9.612 ( -8.734 -8.533 -9.658) 15.568 14.212 ( -0.809 -0.038 -0.612) 1.015 15.276 ( -14.578 -10.915 -13.784) 22.840 16.379 ( -0.915 -0.843 1.250) 1.764 16.456 ( 0.527 -2.569 -1.755) 3.156 17.414 ( 14.383 14.068 14.175) 24.611 17.857 ( 1.897 2.688 2.059) 3.881 ======================= Grid point 198 (110/226) ======================= q-point: (-0.18 -0.45 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 9.311 -8.183 6.566) 14.028 1.764 ( 19.091 1.724 -11.768) 22.493 1.933 ( -4.524 1.393 -2.755) 5.477 2.432 ( -5.818 -0.532 0.825) 5.900 2.793 ( 4.888 5.931 1.557) 7.842 2.947 ( -2.643 0.484 0.960) 2.854 4.029 ( 4.981 -4.784 5.027) 8.542 4.336 ( 7.325 6.336 -6.945) 11.918 4.522 ( 2.563 6.167 3.203) 7.407 5.684 ( -0.409 13.140 8.834) 15.838 5.798 ( 4.421 5.624 2.175) 7.477 6.096 ( 20.287 -5.843 6.886) 22.207 6.222 ( 4.485 1.619 4.246) 6.384 6.686 ( 0.679 5.291 1.926) 5.671 6.937 ( 3.630 -2.812 4.940) 6.745 8.099 ( -21.384 11.081 -18.805) 30.556 8.875 ( -3.324 -21.282 -1.332) 21.582 9.313 ( -12.028 -9.565 -3.705) 15.808 14.196 ( -0.383 -0.330 -0.770) 0.921 14.874 ( -13.577 -13.304 -6.872) 20.213 16.369 ( -0.342 -0.328 0.580) 0.749 16.431 ( 0.431 -2.163 -1.681) 2.773 17.827 ( 11.510 14.819 8.285) 20.511 17.934 ( 2.701 3.789 1.289) 4.828 ======================= Grid point 199 (111/226) ======================= q-point: (-0.09 -0.45 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -0.371 -8.959 1.730) 9.132 1.874 ( -1.953 1.359 -0.826) 2.518 1.992 ( 16.962 -1.081 -9.512) 19.477 2.383 ( -2.264 -0.568 5.203) 5.703 2.731 ( -4.453 -2.266 -6.450) 8.158 3.058 ( 1.106 8.483 4.402) 9.621 4.099 ( 3.849 -4.138 5.663) 8.001 4.474 ( 9.545 4.652 -12.415) 16.337 4.679 ( 7.812 10.580 1.786) 13.272 5.720 ( -7.024 5.094 4.870) 9.950 5.939 ( 2.024 3.169 -1.142) 3.930 6.303 ( 1.678 4.186 0.230) 4.515 6.501 ( 17.341 9.349 17.037) 26.046 6.698 ( 1.695 3.816 -7.345) 8.449 7.106 ( 8.220 1.109 6.697) 10.660 7.788 ( -13.801 6.573 -11.325) 19.024 8.527 ( -6.516 -26.852 -9.579) 29.245 9.038 ( -13.515 -9.482 7.112) 17.976 14.187 ( 0.294 -0.593 -0.193) 0.689 14.543 ( -10.090 -12.075 -0.949) 15.764 16.369 ( 0.221 -0.156 0.343) 0.437 16.411 ( 0.302 -1.323 -1.381) 1.936 18.008 ( 2.166 3.510 0.508) 4.156 18.139 ( 7.262 12.391 1.810) 14.476 ======================= Grid point 202 (112/226) ======================= q-point: ( 0.18 -0.36 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 7.935 0.701 -2.738) 8.423 1.912 ( -3.480 -4.642 1.178) 5.920 2.100 ( 11.434 -3.540 -1.918) 12.122 2.432 ( -3.798 -0.132 3.705) 5.308 2.711 ( 7.187 -0.479 1.858) 7.438 2.942 ( -3.958 -3.117 -9.226) 10.512 4.056 ( -5.608 1.923 -0.810) 5.984 4.518 ( 5.306 -2.747 -7.073) 9.259 4.960 ( -4.223 -11.749 -8.130) 14.899 5.559 ( -2.565 4.943 -1.763) 5.841 5.877 ( -0.523 4.887 -6.899) 8.471 6.251 ( -10.955 3.925 -9.761) 15.189 6.307 ( -1.587 -7.537 -7.303) 10.614 6.947 ( -6.424 -3.969 -5.289) 9.220 7.005 ( 5.249 6.432 -10.218) 13.166 7.894 ( -4.159 -13.487 14.662) 20.351 8.706 ( 13.513 22.437 11.981) 28.802 8.855 ( 4.655 -5.646 19.442) 20.774 14.226 ( 0.080 -1.763 0.595) 1.863 14.476 ( 7.768 4.527 13.068) 15.862 16.389 ( 1.000 -0.799 1.177) 1.739 16.426 ( 0.229 1.769 0.326) 1.813 18.004 ( -2.306 -1.011 -3.628) 4.416 18.134 ( -7.584 -3.075 -12.752) 15.152 ======================= Grid point 203 (113/226) ======================= q-point: ( 0.27 -0.36 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 4.733 0.865 -1.246) 4.970 1.772 ( -5.349 -3.795 -4.824) 8.141 2.216 ( 6.107 -4.026 -0.669) 7.345 2.371 ( -4.530 -1.334 2.059) 5.151 2.744 ( -3.124 -6.061 -6.978) 9.756 2.880 ( 3.952 5.398 2.414) 7.113 3.995 ( -4.904 4.631 0.037) 6.745 4.449 ( -3.937 -9.464 -8.309) 13.195 4.722 ( -4.495 -6.165 -4.127) 8.674 5.548 ( -3.181 5.346 -4.983) 7.970 5.808 ( -5.105 -4.616 -5.611) 8.880 6.080 ( -10.778 5.454 -1.968) 12.239 6.234 ( 0.976 -0.595 -2.698) 2.930 6.801 ( -4.356 -4.164 -4.471) 7.504 7.018 ( -4.522 -3.988 6.359) 8.763 7.880 ( 9.557 1.877 -7.678) 12.402 9.009 ( 7.436 -8.590 17.826) 21.139 9.173 ( 12.230 18.265 9.036) 23.766 14.224 ( 0.764 -1.107 0.449) 1.418 14.765 ( 12.062 6.851 11.714) 18.156 16.404 ( 0.725 -1.033 1.976) 2.344 16.447 ( 0.309 1.638 0.247) 1.685 17.854 ( -11.644 -6.534 -11.781) 17.806 17.930 ( -3.228 -0.786 -4.036) 5.228 ======================= Grid point 204 (114/226) ======================= q-point: ( 0.36 0.64 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -12.997 -0.929 2.676) 13.302 1.743 ( 8.672 -3.407 -8.859) 12.857 2.097 ( -17.117 -1.643 2.457) 17.370 2.381 ( 8.511 -2.502 -8.357) 12.188 2.584 ( -7.360 -3.342 1.791) 8.279 3.047 ( 7.289 4.487 3.490) 9.243 3.984 ( -4.357 6.867 1.051) 8.200 4.187 ( -7.733 -9.302 -6.771) 13.862 4.649 ( -0.634 -4.283 0.420) 4.350 5.472 ( -6.521 0.459 -5.177) 8.339 5.659 ( -5.020 -0.657 -0.993) 5.159 5.938 ( -11.114 0.200 2.740) 11.448 6.233 ( -3.906 1.158 3.195) 5.177 6.642 ( -6.369 -7.808 0.038) 10.076 6.971 ( -0.328 -2.132 5.928) 6.308 8.105 ( 19.265 11.494 -18.757) 29.242 9.121 ( 3.489 -8.685 15.269) 17.910 9.527 ( 11.357 10.335 2.336) 15.532 14.231 ( 0.823 -0.765 0.486) 1.224 15.109 ( 16.109 6.910 5.655) 18.418 16.415 ( 0.014 -1.057 2.222) 2.461 16.465 ( 0.674 0.453 -0.442) 0.924 17.513 ( -15.958 -6.113 -6.799) 18.391 17.857 ( -2.692 -0.588 -2.143) 3.490 ======================= Grid point 205 (115/226) ======================= q-point: ( 0.45 0.64 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -9.147 -3.185 3.718) 10.375 1.765 ( -22.290 -2.356 1.266) 22.450 1.824 ( 6.029 4.428 -1.442) 7.618 2.348 ( -7.401 -5.167 3.224) 9.585 2.552 ( 6.401 -2.341 -1.778) 7.044 3.191 ( 5.639 1.348 -2.078) 6.159 3.945 ( -5.921 4.293 -2.021) 7.588 4.056 ( -1.767 -0.549 3.120) 3.628 4.586 ( -3.819 -5.555 4.559) 8.138 5.328 ( -5.643 -2.927 -1.740) 6.591 5.608 ( -6.359 5.549 0.781) 8.476 5.784 ( -7.021 -5.353 4.764) 10.032 6.171 ( -7.324 1.001 5.692) 9.330 6.508 ( -3.739 -4.199 1.034) 5.717 7.026 ( 3.894 0.658 1.351) 4.174 8.406 ( 19.195 11.443 -18.367) 28.926 9.147 ( -1.018 -6.991 9.722) 12.018 9.742 ( 8.982 2.365 -3.718) 10.005 14.240 ( 0.523 -0.463 0.542) 0.883 15.441 ( 18.656 3.573 -5.797) 19.860 16.410 ( -1.001 -0.652 1.031) 1.578 16.465 ( 0.978 -2.087 -1.785) 2.915 17.196 ( -18.103 -1.162 6.002) 19.107 17.813 ( -1.836 0.280 0.025) 1.857 ======================= Grid point 206 (116/226) ======================= q-point: (-0.45 -0.36 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -0.790 -7.681 7.878) 11.031 1.419 ( -17.781 -4.989 4.193) 18.937 1.998 ( 1.621 12.137 6.030) 13.649 2.195 ( -8.009 -3.908 11.533) 14.575 2.619 ( 7.008 -3.929 -5.339) 9.646 3.202 ( 2.245 -3.660 -10.149) 11.019 3.936 ( -0.350 2.615 3.168) 4.123 4.075 ( -2.279 5.838 4.987) 8.009 4.490 ( -6.860 -5.370 9.053) 12.564 5.251 ( -1.592 -0.240 1.079) 1.938 5.538 ( -7.046 1.839 2.907) 7.841 5.715 ( -0.067 -3.710 2.472) 4.459 6.120 ( -5.330 2.480 5.739) 8.216 6.458 ( -1.466 0.057 2.138) 2.593 7.090 ( 2.408 1.219 -0.877) 2.837 8.668 ( 15.437 6.814 -13.230) 21.442 9.083 ( -5.468 -3.864 2.069) 7.007 9.807 ( 5.594 -4.494 -8.801) 11.355 14.245 ( -0.025 -0.203 0.469) 0.511 15.629 ( 14.622 -4.673 -22.340) 27.105 16.390 ( -0.750 0.363 -0.594) 1.023 16.441 ( 0.535 -3.736 -0.170) 3.777 17.052 ( -13.737 7.817 21.799) 26.926 17.805 ( -0.951 1.339 2.036) 2.616 ======================= Grid point 207 (117/226) ======================= q-point: (-0.36 -0.36 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -5.312 -4.584 2.272) 7.375 1.284 ( 4.692 -13.943 14.390) 20.579 1.986 ( -2.471 -7.784 5.009) 9.581 2.363 ( 0.966 21.978 14.288) 26.232 2.618 ( 3.497 -6.722 -6.179) 9.777 3.098 ( 0.406 -6.566 -12.368) 14.008 3.959 ( -0.912 -1.801 3.918) 4.408 4.177 ( 3.117 8.164 4.019) 9.618 4.407 ( -7.134 -1.972 12.561) 14.580 5.301 ( 2.716 6.027 4.564) 8.033 5.495 ( -0.198 -1.435 2.321) 2.736 5.714 ( 1.592 -3.444 3.345) 5.058 6.120 ( -3.205 4.384 5.807) 7.951 6.487 ( 0.844 3.425 3.556) 5.009 7.101 ( -1.168 0.766 -2.147) 2.562 8.838 ( 8.929 -0.251 -5.632) 10.560 8.932 ( -8.573 -0.524 -7.613) 11.478 9.733 ( 1.341 -8.966 -12.185) 15.187 14.240 ( -0.670 -0.042 0.150) 0.688 15.521 ( 2.436 -11.009 -27.899) 30.091 16.398 ( 0.731 0.181 0.086) 0.758 16.417 ( 0.400 -3.311 0.512) 3.374 17.179 ( -2.653 14.316 25.817) 29.640 17.830 ( -0.126 2.338 3.220) 3.981 ======================= Grid point 208 (118/226) ======================= q-point: (-0.27 -0.36 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 9.754 -2.727 -3.663) 10.770 1.347 ( 7.847 -13.193 12.518) 19.807 1.941 ( 3.065 -8.123 -0.020) 8.682 2.538 ( 0.554 -7.937 -6.101) 10.027 2.661 ( 0.974 18.615 11.323) 21.810 2.972 ( 0.831 -6.095 -9.423) 11.253 3.940 ( -0.687 -3.548 4.358) 5.662 4.277 ( 1.926 -0.365 -1.980) 2.787 4.441 ( -0.762 6.461 13.221) 14.735 5.502 ( 6.436 10.813 6.436) 14.134 5.555 ( 8.555 -0.314 5.982) 10.444 5.749 ( 2.765 -2.362 5.592) 6.670 6.166 ( -1.488 5.161 6.297) 8.277 6.589 ( 2.901 6.255 5.369) 8.739 7.041 ( -4.610 -0.367 -2.904) 5.461 8.683 ( -13.953 3.101 -14.717) 20.516 8.883 ( 3.677 -10.622 -2.158) 11.446 9.554 ( -2.898 -9.391 -12.222) 15.684 14.225 ( -1.152 0.036 -0.440) 1.234 15.224 ( -5.837 -12.156 -21.555) 25.426 16.391 ( -0.742 -1.515 1.248) 2.098 16.405 ( 0.933 -2.218 -0.952) 2.587 17.501 ( 6.172 16.122 20.115) 26.507 17.880 ( 0.723 3.060 3.305) 4.562 ======================= Grid point 209 (119/226) ======================= q-point: (-0.18 -0.36 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 18.213 -1.880 -7.106) 19.641 1.450 ( 10.929 -8.542 3.961) 14.425 1.898 ( 1.961 -8.205 -3.787) 9.247 2.436 ( 0.139 -7.338 -3.632) 8.188 2.765 ( 0.295 -2.660 -5.608) 6.214 2.997 ( 2.693 8.730 4.401) 10.141 3.950 ( 2.768 -4.335 6.331) 8.157 4.273 ( 1.530 0.405 -4.246) 4.531 4.564 ( 1.894 4.604 4.359) 6.617 5.685 ( 12.992 -2.610 -0.381) 13.257 5.809 ( 3.639 -2.921 8.256) 9.483 5.930 ( 11.020 21.653 15.849) 29.008 6.238 ( 0.098 3.829 6.827) 7.828 6.755 ( 2.433 9.072 7.526) 12.035 6.933 ( -3.684 -1.217 -2.027) 4.377 8.365 ( -16.415 5.097 -21.651) 27.644 8.714 ( -4.843 -21.189 -3.286) 21.982 9.354 ( -5.668 -6.701 -5.191) 10.197 14.201 ( -1.144 0.068 -1.005) 1.524 14.879 ( -9.360 -12.466 -12.932) 20.255 16.376 ( -0.445 -1.068 0.782) 1.396 16.390 ( 0.588 -2.075 -0.781) 2.294 17.871 ( 8.541 15.214 12.413) 21.413 17.946 ( 1.473 3.301 2.439) 4.361 ======================= Grid point 210 (120/226) ======================= q-point: (-0.09 -0.36 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 6.042 -9.688 2.821) 11.761 1.611 ( 20.033 -0.678 -13.802) 24.337 1.835 ( 2.668 -7.151 -1.565) 7.791 2.388 ( 2.201 -4.536 0.784) 5.102 2.682 ( 0.407 -5.249 -7.636) 9.275 3.123 ( 1.057 5.873 1.093) 6.067 4.027 ( 5.406 -4.014 7.954) 10.421 4.299 ( 5.975 2.065 -9.493) 11.406 4.661 ( 4.862 3.948 0.090) 6.263 5.820 ( 6.222 -1.389 -4.216) 7.644 5.879 ( 1.841 -0.707 7.121) 7.389 6.315 ( 1.549 2.464 4.726) 5.550 6.452 ( 15.917 18.383 15.803) 29.000 6.732 ( -6.305 -0.112 -3.044) 7.002 7.088 ( 7.216 12.262 12.501) 18.939 8.007 ( -16.213 5.688 -24.339) 29.793 8.349 ( -9.038 -24.990 -3.862) 26.853 9.177 ( -9.044 -7.125 3.923) 12.163 14.183 ( -0.385 0.086 -0.517) 0.650 14.567 ( -8.610 -11.516 -4.571) 15.088 16.368 ( -0.163 -0.545 0.506) 0.761 16.382 ( 0.921 -1.226 -0.657) 1.668 18.010 ( 1.740 2.815 0.780) 3.400 18.168 ( 5.840 12.218 4.557) 14.289 ======================= Grid point 213 (121/226) ======================= q-point: ( 0.18 -0.27 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 9.956 -3.607 -7.338) 12.883 1.771 ( 13.033 -10.845 -2.493) 17.137 1.880 ( 8.262 -3.414 -1.957) 9.151 2.408 ( 7.171 -2.340 -2.143) 7.842 2.605 ( 5.277 -3.632 6.636) 9.223 2.992 ( -6.195 3.176 -4.020) 8.039 4.124 ( -1.348 1.082 -1.681) 2.411 4.346 ( 6.675 -2.175 -6.930) 9.864 4.792 ( 4.784 -9.534 -7.184) 12.861 5.599 ( 2.066 0.970 -2.144) 3.132 5.957 ( -6.220 4.852 -2.249) 8.203 6.191 ( -0.189 1.549 -15.016) 15.097 6.412 ( -6.672 5.711 -7.280) 11.408 6.923 ( 1.403 -0.554 -1.573) 2.179 7.023 ( -10.451 7.195 -17.323) 21.473 7.931 ( -1.754 -16.776 23.042) 28.556 8.678 ( 8.199 1.933 7.431) 11.233 8.964 ( 1.020 7.145 18.198) 19.577 14.214 ( -0.429 -1.921 0.299) 1.991 14.479 ( 6.623 2.072 14.328) 15.920 16.371 ( 1.127 -0.443 0.404) 1.277 16.429 ( 0.888 0.656 -0.075) 1.106 18.010 ( -1.806 -0.441 -3.054) 3.576 18.166 ( -7.854 0.383 -12.421) 14.701 ======================= Grid point 214 (122/226) ======================= q-point: ( 0.27 -0.27 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 11.422 -1.043 -6.816) 13.342 1.803 ( 1.835 -7.282 2.534) 7.926 1.968 ( 9.642 -2.792 -6.614) 12.022 2.465 ( -0.743 0.014 1.716) 1.870 2.677 ( 4.189 -3.231 4.101) 6.694 2.932 ( -3.780 5.635 -1.768) 7.012 4.097 ( -2.817 3.378 -1.243) 4.571 4.345 ( 2.187 -5.525 -6.864) 9.079 4.674 ( -2.207 -6.414 -6.813) 9.614 5.653 ( -1.489 7.391 -1.094) 7.619 5.849 ( -8.274 0.569 -3.993) 9.204 6.163 ( 3.266 5.538 -8.177) 10.401 6.295 ( -9.336 6.438 -6.285) 12.966 6.819 ( -5.909 -2.962 -5.380) 8.523 7.020 ( 5.010 5.017 -4.926) 8.633 7.815 ( -6.022 -11.880 11.886) 17.852 8.849 ( 12.253 -10.298 12.244) 20.152 9.223 ( 6.614 10.119 9.689) 15.492 14.204 ( 0.604 -0.945 -0.060) 1.124 14.707 ( 9.430 0.750 12.952) 16.038 16.391 ( 1.283 -0.659 1.357) 1.980 16.441 ( 0.865 -0.350 -0.986) 1.358 17.929 ( -8.047 -0.504 -6.800) 10.547 17.967 ( -6.020 1.877 -7.304) 9.650 ======================= Grid point 215 (123/226) ======================= q-point: ( 0.36 -0.27 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 9.789 6.355 -0.122) 11.672 1.713 ( -10.092 -2.750 3.877) 11.155 2.056 ( 10.911 -3.733 -8.750) 14.475 2.393 ( -8.842 0.918 0.061) 8.889 2.687 ( -4.425 0.384 1.438) 4.668 2.976 ( 4.812 1.496 1.287) 5.201 4.102 ( -1.613 4.471 2.937) 5.587 4.220 ( -6.541 -1.722 -7.471) 10.078 4.586 ( 0.558 -3.041 -4.029) 5.078 5.607 ( -11.434 4.323 -3.791) 12.799 5.721 ( -3.334 1.716 -0.327) 3.764 6.159 ( -10.227 3.468 -0.973) 10.842 6.272 ( 3.214 7.305 -0.762) 8.017 6.672 ( -5.647 -5.212 -1.801) 7.893 7.043 ( -4.493 -3.768 8.647) 10.447 7.817 ( 11.869 4.742 -11.488) 17.185 9.010 ( 10.264 -12.984 14.560) 22.043 9.432 ( 8.481 2.702 -0.133) 8.902 14.211 ( 1.090 -0.510 -0.050) 1.204 14.935 ( 12.577 -2.822 6.382) 14.383 16.412 ( 0.850 -0.947 2.167) 2.513 16.436 ( 0.869 -1.615 -2.031) 2.737 17.713 ( -13.885 4.628 -5.063) 15.487 17.897 ( -3.334 1.586 -1.971) 4.185 ======================= Grid point 216 (124/226) ======================= q-point: (-0.55 -0.27 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -14.096 -2.034 1.779) 14.353 1.828 ( 7.062 15.201 7.494) 18.360 2.028 ( -8.296 -4.874 -4.000) 10.421 2.291 ( 0.793 3.130 -7.952) 8.583 2.596 ( -8.197 -2.585 6.937) 11.046 3.054 ( 5.970 -4.752 -3.205) 8.276 4.081 ( -7.063 5.404 -3.262) 9.472 4.161 ( -2.246 7.747 5.716) 9.886 4.555 ( 1.276 -4.994 -0.439) 5.173 5.424 ( -9.580 -0.050 -1.863) 9.760 5.718 ( -2.613 5.551 -0.172) 6.138 6.004 ( -14.538 1.315 6.314) 15.904 6.323 ( -5.101 2.516 4.652) 7.348 6.543 ( -3.995 -3.311 1.933) 5.537 7.006 ( -0.617 -2.757 6.891) 7.448 8.068 ( 20.570 11.938 -21.395) 31.990 9.102 ( 4.928 -12.473 13.100) 18.748 9.536 ( 9.733 -5.582 -8.170) 13.880 14.226 ( 1.095 -0.317 0.297) 1.178 15.112 ( 14.909 -8.316 -4.236) 17.589 16.415 ( 0.166 -1.511 -2.041) 2.544 16.425 ( 0.337 -1.337 1.739) 2.219 17.543 ( -15.138 9.954 4.366) 18.636 17.863 ( -2.657 2.498 0.190) 3.652 ======================= Grid point 217 (125/226) ======================= q-point: (-0.45 -0.27 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -10.221 -4.380 2.023) 11.303 1.696 ( -19.318 -4.569 -2.177) 19.970 2.129 ( 0.972 8.980 5.791) 10.729 2.318 ( 3.914 4.468 -0.775) 5.990 2.505 ( -3.958 -3.000 8.166) 9.557 3.026 ( 3.781 -8.776 -9.110) 13.202 4.044 ( -5.054 8.962 -1.691) 10.427 4.233 ( -3.922 8.408 7.279) 11.793 4.528 ( 0.244 -6.513 5.633) 8.615 5.322 ( -4.243 3.329 1.811) 5.689 5.718 ( -2.444 2.770 -0.064) 3.695 5.807 ( -16.929 -0.396 10.969) 20.176 6.268 ( -5.930 2.051 4.859) 7.936 6.514 ( -2.273 2.123 3.868) 4.963 7.050 ( 3.152 -0.444 2.356) 3.960 8.364 ( 19.510 10.580 -20.588) 30.273 9.093 ( -0.709 -10.777 7.019) 12.881 9.545 ( 9.627 -11.445 -12.347) 19.394 14.241 ( 0.658 -0.246 0.687) 0.983 15.185 ( 14.356 -13.398 -15.561) 25.055 16.396 ( -0.053 0.078 -1.494) 1.497 16.422 ( -0.440 -1.314 1.417) 1.983 17.484 ( -13.208 13.765 14.099) 23.721 17.861 ( -1.791 3.116 2.154) 4.190 ======================= Grid point 218 (126/226) ======================= q-point: (-0.36 -0.27 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -1.175 -9.950 5.803) 11.578 1.349 ( -16.379 -7.449 2.544) 18.172 2.027 ( -8.274 -9.935 3.606) 13.423 2.417 ( 5.332 -7.899 -4.909) 10.720 2.636 ( 2.125 19.422 11.377) 22.609 2.921 ( 2.074 -10.092 -10.634) 14.806 4.031 ( -4.501 4.948 0.112) 6.690 4.261 ( -3.416 4.120 2.145) 5.766 4.524 ( -1.223 -4.117 10.894) 11.710 5.397 ( 1.511 10.933 8.758) 14.089 5.629 ( -13.433 1.266 8.795) 16.106 5.697 ( -0.991 -1.308 1.811) 2.444 6.257 ( -3.543 4.987 5.112) 7.973 6.551 ( -0.702 5.463 4.847) 7.337 7.096 ( 1.286 0.123 0.085) 1.295 8.597 ( 14.637 4.978 -15.507) 21.897 8.969 ( -4.672 -9.594 -3.162) 11.129 9.488 ( 6.904 -12.324 -12.304) 18.733 14.248 ( -0.124 -0.227 0.778) 0.820 15.132 ( 10.219 -14.383 -21.984) 28.189 16.395 ( -0.095 0.760 -0.522) 0.927 16.407 ( -0.564 -1.340 0.573) 1.563 17.552 ( -8.216 14.952 19.559) 25.954 17.886 ( -1.005 3.247 3.358) 4.778 ======================= Grid point 219 (127/226) ======================= q-point: (-0.27 -0.27 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -4.870 -8.445 1.938) 9.940 1.176 ( 5.262 -16.149 12.232) 20.931 1.846 ( -3.049 -11.052 0.028) 11.465 2.358 ( 3.905 -11.434 -6.637) 13.786 2.785 ( 0.289 -9.539 -9.093) 13.181 2.898 ( 2.792 14.890 6.442) 16.462 3.991 ( -4.299 0.460 2.180) 4.842 4.247 ( -0.371 -1.429 0.361) 1.520 4.543 ( -0.155 -2.231 7.749) 8.066 5.499 ( -3.994 -2.225 3.320) 5.651 5.649 ( 2.240 6.838 11.450) 13.523 5.745 ( 3.012 11.834 9.362) 15.387 6.300 ( -2.594 6.611 6.174) 9.410 6.660 ( 1.746 9.425 6.800) 11.752 7.082 ( -2.710 -0.215 -1.441) 3.077 8.652 ( 0.919 -10.107 -14.820) 17.962 8.790 ( -1.331 -2.127 -7.403) 7.816 9.395 ( 2.814 -8.412 -10.948) 14.091 14.241 ( -1.009 -0.117 0.307) 1.062 14.986 ( 3.996 -12.020 -21.760) 25.179 16.379 ( -0.784 -1.014 -0.619) 1.423 16.401 ( -0.207 -0.665 0.737) 1.014 17.732 ( -1.416 14.234 19.095) 23.858 17.927 ( -0.277 3.053 3.557) 4.695 ======================= Grid point 220 (128/226) ======================= q-point: (-0.18 -0.27 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 9.650 -6.459 -4.648) 12.507 1.237 ( 9.803 -14.455 10.296) 20.274 1.729 ( 2.694 -12.135 -4.195) 13.119 2.272 ( 4.229 -11.647 -5.843) 13.699 2.649 ( 1.209 -10.330 -8.558) 13.469 3.072 ( 1.715 9.078 3.125) 9.753 3.952 ( -1.753 -2.027 5.016) 5.687 4.228 ( 0.632 -3.086 -0.872) 3.268 4.566 ( 2.003 -2.785 1.692) 3.825 5.496 ( 5.530 -2.483 1.234) 6.187 5.744 ( 5.199 -4.891 7.967) 10.697 6.100 ( 6.744 22.636 13.061) 26.989 6.361 ( -2.671 6.441 7.395) 10.164 6.884 ( 4.247 16.686 13.281) 21.745 6.987 ( -6.442 -1.110 -3.291) 7.319 8.345 ( -6.553 -14.403 -22.050) 27.140 8.693 ( -7.272 -5.096 -3.169) 9.429 9.306 ( 0.425 -3.518 -7.621) 8.405 14.219 ( -1.579 0.169 -0.624) 1.706 14.776 ( -2.337 -10.064 -16.629) 19.577 16.357 ( -0.022 -1.219 -0.558) 1.341 16.390 ( -0.767 -1.293 1.227) 1.941 17.960 ( 1.878 4.682 5.667) 7.587 17.998 ( 2.452 10.638 11.139) 15.597 ======================= Grid point 221 (129/226) ======================= q-point: (-0.09 -0.27 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 20.330 -2.681 -11.605) 23.562 1.316 ( 8.196 -11.141 3.084) 14.170 1.653 ( 6.030 -13.443 -2.816) 15.001 2.235 ( 7.311 -8.861 -3.287) 11.949 2.533 ( 3.007 -10.870 -8.061) 13.863 3.156 ( 0.392 4.058 -0.564) 4.116 3.977 ( 2.794 -2.918 7.887) 8.861 4.204 ( 1.507 -2.020 -3.974) 4.705 4.584 ( 4.554 -2.839 -2.704) 6.009 5.616 ( 10.534 -2.352 -1.913) 10.962 5.839 ( 6.199 -5.227 7.746) 11.214 6.388 ( -1.307 6.501 4.566) 8.051 6.498 ( 7.775 13.531 9.496) 18.268 6.823 ( -8.416 -0.658 -4.581) 9.605 7.271 ( 5.504 24.880 20.748) 32.860 7.961 ( -5.824 -14.892 -22.762) 27.818 8.419 ( -16.678 -6.151 -4.141) 18.252 9.235 ( -3.047 -3.200 -0.930) 4.516 14.194 ( -1.105 0.526 -0.778) 1.450 14.543 ( -5.304 -9.418 -8.339) 13.652 16.354 ( 0.953 -0.735 0.163) 1.215 16.373 ( -0.653 -1.139 0.866) 1.572 18.013 ( 1.223 1.539 1.026) 2.217 18.232 ( 3.869 10.753 6.514) 13.154 ======================= Grid point 224 (130/226) ======================= q-point: ( 0.18 -0.18 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 11.766 -5.959 -5.317) 14.221 1.421 ( 16.106 -5.290 -7.659) 18.602 1.668 ( 14.209 -4.037 1.449) 14.842 2.212 ( 11.889 -2.873 -0.102) 12.231 2.501 ( 10.486 -3.704 7.040) 13.162 3.104 ( -5.123 3.016 -0.770) 5.994 4.072 ( 3.803 -0.412 -6.845) 7.842 4.227 ( 3.864 -1.965 -0.397) 4.353 4.592 ( 7.696 -4.861 -2.281) 9.384 5.529 ( 4.105 0.530 -2.473) 4.822 5.912 ( 8.120 -0.736 -6.948) 10.712 6.291 ( -10.096 11.828 -8.404) 17.677 6.492 ( -4.666 3.339 -6.230) 8.470 6.915 ( -3.211 -7.261 3.615) 8.723 7.222 ( -15.875 16.247 -21.456) 31.246 7.909 ( 4.791 -14.043 22.847) 27.243 8.621 ( 1.230 -6.441 4.551) 7.982 9.118 ( -0.494 5.251 12.564) 13.626 14.210 ( -0.987 -1.850 0.372) 2.130 14.479 ( 5.673 -0.279 13.899) 15.014 16.353 ( 0.836 -0.120 -0.154) 0.859 16.410 ( 1.088 -0.652 -0.706) 1.452 18.013 ( -0.792 0.219 -2.123) 2.276 18.230 ( -7.325 3.188 -10.736) 13.382 ======================= Grid point 225 (131/226) ======================= q-point: ( 0.27 -0.18 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 12.040 6.681 2.457) 13.987 1.573 ( 13.717 -3.602 -5.121) 15.078 1.836 ( 8.094 -1.385 1.309) 8.316 2.386 ( 9.578 -0.567 1.631) 9.733 2.631 ( 4.305 -2.712 7.003) 8.656 3.051 ( -5.299 4.800 -0.569) 7.173 4.090 ( 3.663 1.508 -7.439) 8.428 4.238 ( 1.746 -3.277 -0.856) 3.811 4.618 ( 1.028 -1.470 -1.913) 2.622 5.657 ( 6.802 6.293 1.116) 9.333 5.948 ( -0.246 -0.338 -4.287) 4.307 6.204 ( -7.725 14.614 -10.431) 19.546 6.405 ( -4.400 6.319 -11.215) 13.604 6.833 ( -2.343 -7.371 1.232) 7.832 7.025 ( -7.239 13.156 -15.152) 21.333 7.932 ( -6.844 -14.200 23.656) 28.426 8.613 ( 9.792 -14.489 6.314) 18.593 9.253 ( 3.301 2.508 6.251) 7.501 14.191 ( -0.065 -0.866 0.021) 0.869 14.639 ( 6.891 -4.732 11.956) 14.588 16.371 ( 1.414 -0.073 0.515) 1.507 16.408 ( 0.935 -1.521 -1.613) 2.406 17.983 ( -2.371 1.322 -1.770) 3.241 18.080 ( -8.954 6.419 -9.235) 14.376 ======================= Grid point 226 (132/226) ======================= q-point: ( 0.36 -0.18 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 10.464 16.338 9.505) 21.605 1.714 ( 10.039 -3.609 -2.300) 10.913 1.890 ( 0.178 -0.934 -1.095) 1.450 2.460 ( 0.260 -0.965 -1.731) 1.998 2.708 ( 2.597 -2.338 7.161) 7.968 3.009 ( -4.833 4.983 -2.330) 7.322 4.139 ( 4.204 3.959 -3.906) 6.971 4.225 ( -1.175 -0.087 1.306) 1.759 4.588 ( -3.280 2.924 -2.942) 5.288 5.787 ( -1.487 3.001 1.277) 3.585 5.824 ( -10.402 4.391 -2.955) 11.671 6.215 ( 0.501 8.150 -4.554) 9.350 6.357 ( -2.559 11.946 -10.065) 15.829 6.708 ( -5.324 -3.495 -2.267) 6.760 7.059 ( 4.484 5.547 -4.589) 8.481 7.780 ( -9.293 -8.619 12.561) 17.845 8.742 ( 16.039 -16.469 10.183) 25.143 9.315 ( 4.215 -5.248 -1.783) 6.964 14.191 ( 0.790 -0.301 -0.263) 0.885 14.750 ( 8.346 -9.916 6.108) 14.328 16.394 ( 0.910 -1.224 -1.358) 2.042 16.401 ( 1.231 -0.713 0.990) 1.733 17.939 ( -7.199 6.522 -1.242) 9.793 17.968 ( -6.252 6.499 -4.511) 10.083 ======================= Grid point 227 (133/226) ======================= q-point: ( 0.45 -0.18 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -8.828 -3.818 2.632) 9.972 1.881 ( 5.684 -3.705 -5.290) 8.603 1.927 ( 9.118 18.239 8.398) 22.053 2.381 ( -6.472 0.853 -5.105) 8.287 2.717 ( -3.280 -4.031 6.439) 8.274 2.957 ( -2.499 0.746 -4.890) 5.542 4.184 ( 0.102 3.373 -6.132) 6.999 4.291 ( -0.174 9.863 11.232) 14.948 4.542 ( -3.863 3.430 -2.656) 5.809 5.592 ( -12.129 0.250 -2.678) 12.423 5.825 ( -4.247 6.152 0.167) 7.477 6.217 ( -5.245 2.821 2.014) 6.286 6.431 ( -0.587 11.292 -3.378) 11.801 6.602 ( -4.184 -0.837 2.800) 5.103 7.088 ( -4.669 -3.877 9.421) 11.207 7.770 ( 10.810 6.426 -12.615) 17.813 8.904 ( 13.994 -16.758 12.358) 25.087 9.271 ( 5.192 -12.380 -9.702) 16.563 14.205 ( 1.333 -0.043 -0.143) 1.342 14.795 ( 9.531 -14.180 -1.596) 17.160 16.384 ( 0.553 -0.612 -1.576) 1.779 16.423 ( 0.741 -0.860 2.044) 2.338 17.878 ( -10.905 13.405 1.565) 17.351 17.937 ( -2.816 3.760 -0.108) 4.699 ======================= Grid point 228 (134/226) ======================= q-point: (-0.45 -0.18 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -15.195 -2.648 -0.160) 15.425 1.811 ( -4.316 -8.967 -5.833) 11.535 2.166 ( -1.729 5.139 -6.228) 8.257 2.323 ( 1.618 6.374 4.613) 8.033 2.641 ( -4.231 -5.612 7.866) 10.548 2.886 ( -1.414 -0.607 -5.808) 6.008 4.177 ( -2.231 5.585 -3.848) 7.140 4.414 ( -4.769 5.655 5.253) 9.073 4.525 ( -1.368 5.245 4.650) 7.142 5.457 ( -5.950 4.081 3.001) 7.815 5.789 ( -4.686 1.176 0.700) 4.882 6.147 ( -11.670 3.917 7.838) 14.593 6.404 ( -6.778 3.754 0.449) 7.761 6.627 ( -3.081 6.074 7.258) 9.953 7.042 ( -1.395 -3.651 8.535) 9.387 8.009 ( 20.202 12.006 -23.257) 33.062 8.996 ( 4.724 -16.170 10.669) 19.941 9.167 ( 10.565 -16.214 -14.227) 24.019 14.227 ( 1.346 -0.036 0.374) 1.397 14.777 ( 9.978 -15.952 -8.777) 20.762 16.383 ( 0.563 0.301 -1.115) 1.285 16.430 ( -0.235 -0.972 1.660) 1.938 17.867 ( -9.960 14.664 6.712) 18.955 17.939 ( -2.266 4.111 1.969) 5.090 ======================= Grid point 229 (135/226) ======================= q-point: (-0.36 -0.18 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -12.518 -5.386 -1.188) 13.679 1.537 ( -14.411 -8.829 -2.867) 17.142 2.049 ( -4.980 -6.964 -6.443) 10.715 2.316 ( -4.249 -9.274 4.053) 10.976 2.655 ( 5.688 -5.263 -4.413) 8.918 2.882 ( -0.863 9.333 3.218) 9.910 4.157 ( -4.266 4.716 -2.282) 6.756 4.346 ( -5.200 -1.831 -0.274) 5.520 4.571 ( -2.898 1.606 4.580) 5.653 5.530 ( 0.657 7.999 10.158) 12.946 5.722 ( -3.769 -2.899 4.387) 6.469 6.022 ( -17.243 9.080 10.947) 22.351 6.373 ( -2.853 5.217 2.032) 6.284 6.674 ( -2.939 7.258 6.410) 10.119 7.080 ( 1.718 -0.194 4.927) 5.222 8.284 ( 18.818 10.047 -22.192) 30.782 8.852 ( -0.966 -17.819 -7.965) 19.542 9.179 ( 10.876 -12.876 -1.844) 16.955 14.248 ( 0.721 -0.222 1.019) 1.268 14.721 ( 9.718 -14.626 -13.752) 22.304 16.391 ( 0.650 0.383 -0.773) 1.081 16.418 ( -1.132 -0.686 0.568) 1.440 17.909 ( -6.928 12.086 9.323) 16.763 17.964 ( -2.633 5.610 4.677) 7.764 ======================= Grid point 230 (136/226) ======================= q-point: (-0.27 -0.18 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -2.100 -12.565 3.424) 13.191 1.209 ( -14.636 -11.483 2.908) 18.829 1.818 ( -7.384 -13.092 -3.415) 15.414 2.186 ( -0.398 -11.533 -1.993) 11.711 2.590 ( 2.489 -11.402 -8.137) 14.227 3.022 ( 1.595 10.408 3.508) 11.099 4.095 ( -6.039 2.285 -1.172) 6.562 4.249 ( -2.627 -4.846 0.122) 5.513 4.536 ( -1.224 -4.050 0.794) 4.304 5.588 ( -3.713 -1.552 2.682) 4.836 5.682 ( -3.599 -6.104 10.810) 12.925 6.041 ( -5.871 22.620 13.015) 26.750 6.420 ( -0.829 6.282 3.960) 7.472 6.779 ( 1.659 10.745 6.674) 12.758 7.119 ( -1.559 1.394 4.012) 4.525 8.449 ( 5.248 -0.370 -16.987) 17.783 8.635 ( 4.947 -10.338 -13.952) 18.055 9.207 ( 6.039 -8.402 -1.399) 10.442 14.256 ( -0.362 -0.367 1.237) 1.341 14.653 ( 8.319 -11.142 -16.095) 21.270 16.391 ( -1.467 -0.613 -0.333) 1.625 16.397 ( 0.224 0.013 -0.543) 0.587 17.962 ( -1.545 3.792 4.647) 6.193 18.032 ( -4.291 10.924 11.568) 16.479 ======================= Grid point 231 (137/226) ======================= q-point: (-0.18 -0.18 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -5.450 -13.359 3.005) 14.738 1.000 ( 7.320 -18.740 10.768) 22.819 1.577 ( -2.926 -14.509 -6.057) 15.992 2.072 ( 2.186 -12.312 -3.334) 12.941 2.454 ( 1.792 -13.556 -8.875) 16.302 3.131 ( 1.088 5.496 1.142) 5.718 4.014 ( -4.537 -0.476 1.290) 4.740 4.182 ( 0.082 -5.601 -0.018) 5.602 4.485 ( 1.499 -7.001 -1.145) 7.251 5.491 ( -4.902 -2.308 2.288) 5.881 5.677 ( 2.531 -6.173 8.081) 10.480 6.280 ( 1.683 17.735 8.001) 19.529 6.492 ( -1.151 6.119 5.062) 8.024 6.996 ( 4.214 7.479 3.028) 9.103 7.132 ( -2.637 10.938 11.169) 15.854 8.196 ( -8.781 -11.296 -17.563) 22.654 8.663 ( 5.059 -1.678 -8.017) 9.627 9.206 ( 3.068 -2.883 -3.909) 5.745 14.244 ( -1.480 -0.119 0.472) 1.558 14.573 ( 4.483 -7.499 -15.634) 17.910 16.358 ( -1.356 -0.288 -0.832) 1.617 16.393 ( -0.226 -1.058 0.482) 1.184 17.992 ( -0.038 1.090 2.339) 2.581 18.163 ( -0.992 10.046 12.328) 15.934 ======================= Grid point 232 (138/226) ======================= q-point: (-0.09 -0.18 0.09) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 10.562 -9.938 -5.988) 15.690 1.080 ( 11.618 -15.767 8.893) 21.509 1.396 ( 3.948 -17.497 -6.317) 19.017 2.009 ( 6.185 -10.830 -2.338) 12.689 2.301 ( 3.433 -15.722 -9.266) 18.570 3.175 ( 0.307 1.746 -0.384) 1.814 3.979 ( -0.495 -1.969 4.826) 5.236 4.142 ( 1.078 -4.953 -1.057) 5.178 4.446 ( 3.757 -7.257 -3.109) 8.743 5.479 ( 3.816 -0.777 0.774) 3.971 5.730 ( 5.354 -6.655 6.667) 10.835 6.492 ( 2.129 10.698 3.824) 11.559 6.564 ( 1.027 6.470 4.873) 8.165 6.928 ( -8.521 -0.150 -3.607) 9.254 7.498 ( 12.719 17.039 12.850) 24.844 7.835 ( -12.912 -6.064 -10.517) 17.723 8.571 ( -9.282 -3.918 -3.609) 10.702 9.212 ( 1.729 0.782 -4.493) 4.877 14.217 ( -1.738 0.504 -0.673) 1.931 14.458 ( -0.520 -6.077 -10.828) 12.428 16.342 ( 0.110 -0.228 0.258) 0.361 16.378 ( -0.676 -1.424 0.948) 1.839 18.012 ( 0.626 0.131 0.979) 1.169 18.320 ( 1.537 8.137 7.594) 11.235 ======================= Grid point 268 (139/226) ======================= q-point: ( 0.18 0.18 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -0.000 0.000 23.104) 23.104 0.902 ( -0.000 0.000 23.104) 23.104 1.136 ( -0.000 0.000 27.484) 27.484 2.028 ( -0.000 0.000 15.661) 15.661 2.028 ( -0.000 0.000 15.661) 15.661 3.130 ( 0.000 -0.000 -1.133) 1.133 4.056 ( -0.000 0.000 6.032) 6.032 4.056 ( -0.000 0.000 6.032) 6.032 4.441 ( -0.000 0.000 9.061) 9.061 5.586 ( -0.000 0.000 5.558) 5.558 5.586 ( -0.000 0.000 5.558) 5.558 6.601 ( 0.000 -0.000 -6.398) 6.398 6.955 ( 0.000 -0.000 -2.640) 2.640 6.955 ( 0.000 -0.000 -2.640) 2.640 7.433 ( -0.000 0.000 3.193) 3.193 8.317 ( 0.000 -0.000 -9.616) 9.616 8.317 ( 0.000 -0.000 -9.616) 9.616 8.781 ( 0.000 -0.000 -3.806) 3.806 14.239 ( 0.000 0.000 -0.392) 0.392 14.239 ( 0.000 -0.000 -0.392) 0.392 16.363 ( -0.000 0.000 0.368) 0.368 16.363 ( -0.000 0.000 0.368) 0.368 18.017 ( -0.000 0.000 1.589) 1.589 18.583 ( 0.000 -0.000 -1.890) 1.890 ======================= Grid point 269 (140/226) ======================= q-point: ( 0.27 0.18 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -6.224 -2.714 22.777) 23.768 1.176 ( 10.264 -0.213 19.116) 21.699 1.440 ( 6.963 8.618 22.004) 24.636 2.064 ( -0.312 -0.017 13.268) 13.272 2.258 ( 7.702 3.221 14.456) 16.694 3.132 ( 0.764 0.360 -2.025) 2.194 4.026 ( -4.204 -1.718 5.226) 6.924 4.184 ( 5.926 3.344 7.087) 9.824 4.535 ( 2.920 2.535 10.465) 11.156 5.538 ( -3.684 -2.552 3.753) 5.846 5.680 ( 2.737 1.448 5.955) 6.711 6.516 ( -4.115 -1.780 -7.674) 8.887 6.880 ( -2.045 -2.691 -4.554) 5.671 6.979 ( -0.453 6.227 0.508) 6.264 7.391 ( 1.468 -14.650 5.077) 15.574 8.040 ( -21.234 14.560 -13.927) 29.271 8.516 ( 20.611 -8.331 -11.885) 25.209 8.770 ( -1.078 3.034 1.443) 3.529 14.236 ( 2.255 -3.329 -0.535) 4.056 14.297 ( 2.369 4.804 0.733) 5.406 16.342 ( -1.032 -0.331 0.141) 1.093 16.392 ( 1.025 1.020 0.782) 1.644 18.024 ( -0.222 -0.092 1.175) 1.199 18.501 ( -5.355 -2.852 -2.406) 6.527 ======================= Grid point 270 (141/226) ======================= q-point: ( 0.36 0.18 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 7.753 4.498 12.386) 15.288 1.434 ( 9.232 -1.647 14.726) 17.458 1.727 ( 4.731 8.649 15.742) 18.574 2.184 ( 4.610 2.281 10.381) 11.585 2.481 ( 7.123 1.991 9.654) 12.161 3.123 ( 0.476 -0.695 -3.658) 3.754 3.971 ( -4.785 -0.034 3.786) 6.102 4.371 ( 7.741 3.286 6.380) 10.556 4.695 ( 4.319 5.567 9.138) 11.539 5.495 ( -0.953 -0.794 0.475) 1.328 5.754 ( 2.409 -1.908 3.133) 4.389 6.360 ( -6.369 -2.369 -7.718) 10.283 6.801 ( -2.000 -0.458 -6.662) 6.971 7.037 ( -4.638 9.577 3.801) 11.300 7.349 ( 14.037 -23.718 4.661) 27.951 7.737 ( -24.765 19.133 -15.898) 35.102 8.556 ( 6.567 -10.486 -10.250) 16.066 8.883 ( 4.652 3.552 9.659) 11.294 14.238 ( 2.319 -3.415 -0.521) 4.161 14.383 ( 1.315 3.255 4.667) 5.840 16.332 ( -0.180 0.370 -0.144) 0.436 16.419 ( 0.338 0.887 1.328) 1.632 18.021 ( -0.423 -0.096 -0.365) 0.567 18.367 ( -5.104 -2.429 -5.221) 7.694 ======================= Grid point 271 (142/226) ======================= q-point: ( 0.45 0.18 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 13.984 9.653 4.022) 17.461 1.594 ( 4.088 -2.487 8.405) 9.671 1.962 ( 6.754 5.732 10.627) 13.835 2.354 ( 4.791 3.490 8.885) 10.681 2.610 ( 3.201 -0.645 2.317) 4.004 3.097 ( 1.017 -1.334 -4.664) 4.956 3.935 ( -3.285 2.749 2.187) 4.809 4.535 ( 5.912 0.684 3.075) 6.698 4.867 ( 4.489 7.709 3.192) 9.475 5.503 ( 2.034 1.212 -3.073) 3.879 5.736 ( 0.934 -8.629 -1.423) 8.795 6.212 ( -4.932 -0.033 -5.088) 7.086 6.718 ( -3.835 2.221 -8.295) 9.405 7.021 ( -2.657 -0.542 -1.783) 3.245 7.417 ( -21.925 15.112 -17.593) 31.915 7.500 ( 18.518 -13.071 12.243) 25.761 8.495 ( -0.304 -3.954 -1.207) 4.145 9.022 ( 1.200 -1.015 14.571) 14.656 14.241 ( 1.827 -2.619 -0.423) 3.221 14.453 ( -0.714 1.368 9.769) 9.890 16.341 ( 0.983 0.546 -0.344) 1.176 16.433 ( -0.455 0.293 1.701) 1.785 18.006 ( -0.269 0.149 -2.571) 2.589 18.239 ( -3.199 -1.179 -9.050) 9.671 ======================= Grid point 272 (143/226) ======================= q-point: ( 0.55 0.18 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 0.208 2.124 5.878) 6.253 1.693 ( 11.871 6.163 -2.114) 13.542 2.154 ( 5.643 0.227 6.028) 8.260 2.456 ( -2.574 2.517 5.838) 6.859 2.633 ( 4.212 -3.827 -0.330) 5.700 3.061 ( -1.296 0.148 -7.102) 7.221 3.958 ( 0.354 5.737 0.615) 5.781 4.581 ( 1.276 -3.781 -3.194) 5.112 5.007 ( 4.553 8.029 -5.392) 10.689 5.479 ( -0.110 -5.007 -6.852) 8.487 5.690 ( 4.534 -4.142 -2.037) 6.470 6.147 ( -1.580 2.370 -3.079) 4.195 6.612 ( -7.572 6.444 -10.559) 14.503 6.942 ( 2.049 -10.861 -7.495) 13.354 7.128 ( -15.723 12.898 -14.918) 25.221 7.800 ( 18.031 -7.662 18.007) 26.609 8.475 ( -3.313 2.077 6.812) 7.855 9.081 ( -4.017 -3.667 19.262) 20.015 14.243 ( 1.046 -1.299 -0.284) 1.692 14.508 ( -2.528 -0.249 14.579) 14.799 16.365 ( 1.796 0.077 -0.321) 1.827 16.431 ( -1.122 -0.425 1.735) 2.110 17.987 ( 0.449 0.701 -4.622) 4.696 18.136 ( -0.752 0.344 -12.656) 12.683 ======================= Grid point 273 (144/226) ======================= q-point: (-0.36 0.18 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -6.360 -1.789 -1.420) 6.758 1.948 ( 7.320 7.950 2.269) 11.042 2.128 ( -5.751 -9.559 -1.939) 11.323 2.466 ( 0.469 1.321 1.398) 1.980 2.679 ( 2.631 -3.461 5.287) 6.845 2.961 ( -4.576 2.370 -11.690) 12.775 4.047 ( 2.586 6.937 -0.028) 7.403 4.472 ( -2.216 -8.434 -9.391) 12.815 5.036 ( -1.521 -0.040 -9.510) 9.631 5.444 ( 6.582 2.186 -6.857) 9.753 5.722 ( 3.909 -1.146 -6.420) 7.603 6.169 ( 3.146 3.741 -3.745) 6.157 6.450 ( -11.463 6.685 -13.354) 18.826 6.781 ( 1.933 -10.983 -12.826) 16.997 7.031 ( -4.281 9.992 -5.224) 12.061 8.109 ( 14.582 -9.165 20.252) 26.585 8.504 ( -4.764 4.541 12.237) 13.894 9.087 ( -6.595 -2.771 21.110) 22.289 14.246 ( 0.171 0.167 -0.201) 0.312 14.550 ( -3.759 -1.941 18.214) 18.699 16.391 ( 1.833 -0.719 -0.213) 1.980 16.414 ( -1.481 -0.798 1.513) 2.263 17.979 ( 1.418 1.303 -5.542) 5.867 18.067 ( 1.915 2.002 -15.544) 15.789 ======================= Grid point 274 (145/226) ======================= q-point: (-0.27 0.18 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -8.858 -0.879 -5.356) 10.389 1.837 ( -11.027 -14.029 -9.199) 20.076 2.023 ( -7.446 1.009 4.780) 8.905 2.446 ( -4.234 -2.658 -0.969) 5.092 2.700 ( -2.521 -3.308 8.325) 9.306 2.890 ( 3.874 4.573 -11.949) 13.367 4.123 ( -0.355 3.519 -1.795) 3.967 4.298 ( -1.177 -7.257 -7.506) 10.506 4.872 ( -7.363 -5.386 -7.562) 11.849 5.596 ( 4.045 8.896 -5.609) 11.268 5.732 ( 10.467 0.719 -12.312) 16.176 6.146 ( -6.596 -0.881 -17.331) 18.564 6.316 ( 2.608 4.287 -4.410) 6.680 6.719 ( 6.685 -1.862 -9.922) 12.108 7.048 ( -1.486 7.515 -2.456) 8.045 8.303 ( 1.659 -6.944 21.266) 22.432 8.548 ( -0.497 -3.316 14.345) 14.732 9.113 ( -4.665 1.979 18.078) 18.775 14.248 ( -0.596 1.322 -0.240) 1.470 14.580 ( -4.276 -3.927 20.021) 20.846 16.387 ( -1.255 -0.880 0.679) 1.676 16.409 ( 0.895 -0.932 0.298) 1.326 17.984 ( 1.478 1.145 -4.377) 4.759 18.044 ( 5.009 4.004 -17.735) 18.859 ======================= Grid point 275 (146/226) ======================= q-point: (-0.18 0.18 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -11.649 0.046 -5.746) 12.989 1.433 ( -13.207 -16.021 -13.144) 24.574 1.833 ( -15.365 -3.553 2.134) 15.914 2.283 ( -9.236 -6.592 0.248) 11.350 2.623 ( -8.022 -5.947 7.845) 12.699 3.002 ( 9.232 3.937 -4.977) 11.203 4.061 ( -2.824 -0.490 -5.319) 6.042 4.247 ( -1.272 -1.120 0.740) 1.849 4.653 ( -7.953 -5.803 -4.941) 11.016 5.567 ( -5.624 3.314 -3.966) 7.638 5.880 ( -5.841 -5.277 -11.329) 13.795 5.991 ( 18.380 8.624 -15.815) 25.735 6.406 ( 5.492 4.053 -4.925) 8.417 6.821 ( 13.091 2.410 -9.959) 16.624 7.077 ( -1.077 6.881 -2.816) 7.512 8.296 ( -12.617 -2.157 22.026) 25.475 8.615 ( 4.934 -8.965 11.812) 15.629 9.182 ( -1.789 2.069 11.703) 12.018 14.248 ( -1.010 1.738 -0.365) 2.043 14.591 ( -4.211 -6.014 19.446) 20.785 16.366 ( -1.237 0.016 0.607) 1.378 16.409 ( 0.014 -0.910 -0.032) 0.911 17.988 ( 1.187 0.784 -3.765) 4.024 18.079 ( 7.209 5.377 -16.260) 18.581 ======================= Grid point 280 (147/226) ======================= q-point: ( 0.27 0.27 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 8.270 -6.375 22.794) 25.072 1.137 ( -11.130 -2.451 21.677) 24.490 1.605 ( 2.518 11.360 20.195) 23.307 2.139 ( 0.087 -2.106 13.662) 13.824 2.349 ( -0.992 8.098 11.951) 14.470 3.120 ( -0.133 0.879 -2.848) 2.983 4.113 ( 1.145 -0.532 6.685) 6.803 4.167 ( -0.782 0.176 7.371) 7.414 4.584 ( 0.790 0.891 10.619) 10.685 5.583 ( -0.719 -4.377 4.674) 6.444 5.679 ( 0.073 -0.877 5.747) 5.814 6.468 ( 0.468 -4.378 -8.644) 9.701 6.800 ( 0.193 -14.466 -0.280) 14.470 6.938 ( 2.298 1.986 -2.949) 4.234 7.410 ( -9.312 -11.773 -2.940) 15.296 8.031 ( 20.935 2.937 -7.182) 22.327 8.458 ( -17.303 14.802 -8.013) 24.139 8.806 ( 3.159 8.375 -3.195) 9.505 14.228 ( -2.444 -0.020 -0.335) 2.467 14.340 ( 1.661 10.912 -0.334) 11.043 16.353 ( 0.175 -0.218 0.359) 0.455 16.386 ( 0.258 0.635 0.506) 0.852 18.028 ( 0.037 -1.266 1.269) 1.793 18.458 ( 0.159 -10.833 -2.065) 11.029 ======================= Grid point 281 (148/226) ======================= q-point: ( 0.36 0.27 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -3.438 -3.354 18.830) 19.433 1.368 ( 9.284 -2.399 19.423) 21.662 1.856 ( 1.654 8.310 16.099) 18.193 2.223 ( 2.446 0.917 11.857) 12.141 2.493 ( 2.332 5.774 8.689) 10.690 3.090 ( -0.627 -1.399 -5.114) 5.339 4.084 ( -5.640 0.365 5.727) 8.046 4.301 ( 7.959 0.190 6.085) 10.020 4.697 ( 5.021 -0.609 8.255) 9.681 5.523 ( -3.195 -3.593 3.301) 5.833 5.709 ( 1.257 -4.448 2.284) 5.156 6.345 ( -2.353 -6.155 -8.146) 10.477 6.715 ( 4.333 -10.769 -2.122) 11.800 7.007 ( 8.000 -3.690 1.704) 8.973 7.120 ( -4.327 -16.471 -6.780) 18.330 8.201 ( -23.853 16.350 -12.270) 31.414 8.358 ( 11.849 11.933 -1.255) 16.863 8.933 ( 2.561 8.811 3.380) 9.779 14.202 ( -0.555 -0.183 -0.255) 0.638 14.472 ( 0.226 12.532 2.335) 12.749 16.346 ( -0.988 0.429 0.231) 1.101 16.414 ( 1.595 0.544 0.301) 1.712 18.016 ( -0.214 -2.109 0.255) 2.135 18.316 ( -1.281 -13.072 -3.648) 13.632 ======================= Grid point 282 (149/226) ======================= q-point: ( 0.45 0.27 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 8.859 3.144 9.666) 13.483 1.579 ( 5.849 -1.419 14.072) 15.305 1.992 ( 0.256 3.062 9.316) 9.809 2.393 ( 5.586 4.743 11.389) 13.543 2.602 ( 0.102 2.844 3.236) 4.309 3.022 ( 0.905 -4.375 -5.947) 7.438 4.042 ( -4.681 2.410 3.573) 6.363 4.449 ( 6.697 -0.986 2.493) 7.213 4.804 ( 6.954 -4.132 1.042) 8.156 5.480 ( -0.745 -3.374 0.732) 3.532 5.649 ( -0.729 -7.495 -1.161) 7.619 6.221 ( -1.710 -3.901 -4.840) 6.448 6.686 ( 2.576 -3.584 -5.466) 7.025 6.894 ( 0.478 -15.862 -6.998) 17.344 7.169 ( 16.181 -11.464 8.678) 21.646 7.865 ( -26.400 17.710 -16.400) 35.772 8.599 ( -0.125 19.219 4.330) 19.701 9.078 ( 2.640 3.561 10.320) 11.232 14.200 ( 0.666 -0.519 0.116) 0.852 14.597 ( -2.264 11.757 7.247) 13.996 16.340 ( -0.339 0.622 -0.146) 0.723 16.440 ( 0.791 0.052 0.608) 0.999 17.987 ( -0.274 -2.319 -1.728) 2.905 18.153 ( -0.146 -12.056 -7.231) 14.058 ======================= Grid point 283 (150/226) ======================= q-point: ( 0.55 0.27 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 15.802 8.156 1.364) 17.835 1.679 ( -2.131 1.447 7.373) 7.810 2.075 ( 4.779 -2.326 4.107) 6.717 2.538 ( -2.676 -6.190 -5.982) 9.014 2.593 ( 1.276 6.887 11.831) 13.749 2.994 ( 2.950 -2.655 -4.694) 6.148 4.035 ( -2.312 5.451 1.331) 6.069 4.480 ( 1.757 -6.960 -5.184) 8.855 4.863 ( 8.965 -6.141 -5.469) 12.166 5.396 ( -1.162 -8.031 -3.240) 8.737 5.625 ( 1.926 0.313 0.442) 2.001 6.159 ( -0.646 -0.651 -3.020) 3.156 6.652 ( -0.654 1.581 -7.926) 8.108 6.743 ( 1.447 -11.896 -7.136) 13.947 7.410 ( 22.747 -20.188 15.323) 34.056 7.511 ( -24.861 18.507 -17.927) 35.805 8.774 ( -7.338 23.548 8.763) 26.175 9.192 ( 0.383 -2.253 15.900) 16.063 14.212 ( 1.208 -0.545 0.469) 1.406 14.700 ( -4.872 9.370 12.784) 16.582 16.345 ( 0.595 0.419 -0.471) 0.867 16.446 ( -0.257 -0.664 1.067) 1.283 17.947 ( 0.399 -1.922 -5.173) 5.533 18.014 ( 1.852 -8.751 -10.278) 13.625 ======================= Grid point 284 (151/226) ======================= q-point: ( 0.64 0.27 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -9.086 4.118 0.566) 9.991 1.840 ( 16.066 8.155 0.028) 18.017 2.078 ( -1.699 -10.223 -4.498) 11.297 2.391 ( 2.258 -7.433 -5.473) 9.503 2.731 ( -0.668 3.836 11.913) 12.533 2.956 ( -1.798 -0.278 -8.663) 8.852 4.091 ( 1.002 8.197 -0.243) 8.262 4.331 ( -1.041 -12.455 -11.221) 16.796 4.897 ( 6.653 -7.519 -6.289) 11.847 5.330 ( 2.845 -1.141 -5.311) 6.133 5.667 ( 1.921 2.641 -3.144) 4.533 6.147 ( 0.725 1.684 -3.600) 4.040 6.560 ( -6.470 -0.824 -10.610) 12.454 6.638 ( 0.038 -1.351 -7.238) 7.363 7.238 ( -15.480 15.510 -13.897) 25.948 7.695 ( 24.906 -24.440 19.924) 40.182 8.894 ( -11.581 20.642 11.194) 26.183 9.250 ( -2.269 -4.450 18.747) 19.401 14.232 ( 1.238 -0.310 0.581) 1.403 14.767 ( -7.043 5.022 17.392) 19.424 16.359 ( 1.253 -0.061 -0.529) 1.361 16.435 ( -1.027 -0.947 1.334) 1.932 17.894 ( 3.707 -2.059 -15.072) 15.657 17.943 ( 1.908 -2.643 -5.599) 6.479 ======================= Grid point 285 (152/226) ======================= q-point: (-0.27 0.27 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -11.579 4.725 -3.633) 13.023 1.791 ( -9.271 -15.849 -11.907) 21.884 2.089 ( 4.948 1.026 5.049) 7.144 2.412 ( 6.423 -1.926 -3.218) 7.438 2.762 ( -5.697 -0.386 6.518) 8.665 2.852 ( -2.158 1.884 -9.351) 9.780 4.138 ( -1.720 -6.171 -8.108) 10.333 4.200 ( 3.206 5.248 -1.467) 6.322 4.833 ( -0.838 -8.346 -5.463) 10.010 5.419 ( 11.979 6.032 -11.412) 17.610 5.685 ( -0.382 3.858 -4.476) 5.922 6.132 ( -2.393 2.640 -11.656) 12.189 6.357 ( -7.804 2.651 -8.507) 11.845 6.615 ( 1.342 3.051 -6.850) 7.618 7.133 ( -4.736 8.230 -6.392) 11.447 7.989 ( 22.825 -22.541 21.435) 38.582 8.900 ( -14.898 8.641 14.671) 22.624 9.287 ( -3.250 -1.344 15.283) 15.682 14.251 ( 0.866 0.060 0.279) 0.912 14.782 ( -7.986 -1.246 19.732) 21.324 16.374 ( 1.239 -0.437 -0.210) 1.331 16.418 ( -1.282 -0.432 1.234) 1.831 17.866 ( 6.341 2.030 -18.521) 19.682 17.935 ( 2.116 0.210 -4.318) 4.813 ======================= Grid point 286 (153/226) ======================= q-point: (-0.18 0.27 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -11.946 -3.189 -7.196) 14.306 1.439 ( -12.297 -4.863 -8.138) 15.527 2.040 ( -10.681 -3.649 3.180) 11.726 2.382 ( -8.226 -2.295 -1.491) 8.670 2.717 ( -3.441 -6.752 7.705) 10.807 2.850 ( 7.594 5.865 -8.727) 12.970 4.062 ( 0.227 1.078 -3.474) 3.645 4.275 ( -0.311 3.966 0.848) 4.067 4.675 ( -5.476 -6.030 -5.355) 9.748 5.611 ( 8.258 2.606 -11.713) 14.566 5.709 ( 6.536 8.617 -4.887) 11.868 5.936 ( -10.702 6.869 -18.902) 22.782 6.340 ( 3.273 3.668 -3.568) 6.075 6.658 ( 5.408 4.193 -6.592) 9.502 7.120 ( -0.732 3.408 -3.326) 4.818 8.259 ( 16.817 -16.167 20.357) 30.961 8.783 ( -15.420 -1.541 16.746) 22.816 9.293 ( -3.726 -2.679 8.274) 9.461 14.261 ( 0.191 0.345 -0.436) 0.588 14.739 ( -7.225 -8.008 19.226) 22.045 16.386 ( 0.372 0.087 0.453) 0.593 16.404 ( -0.910 -0.039 0.677) 1.135 17.902 ( 7.034 5.981 -16.323) 18.753 17.957 ( 2.787 2.443 -4.899) 6.142 ======================= Grid point 291 (154/226) ======================= q-point: ( 0.27 0.36 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 3.618 -2.056 21.323) 21.725 1.441 ( -13.142 -1.318 16.127) 20.846 1.772 ( 1.270 6.190 16.118) 17.312 2.235 ( -2.279 3.214 11.339) 12.004 2.520 ( -3.138 6.513 7.606) 10.493 3.104 ( -0.157 -0.371 -4.453) 4.471 4.043 ( 6.709 -3.321 6.114) 9.665 4.328 ( -8.440 2.240 7.458) 11.484 4.655 ( -3.198 -2.939 8.212) 9.290 5.535 ( 3.541 -3.334 3.364) 5.914 5.751 ( -4.376 -0.674 4.208) 6.109 6.326 ( 3.394 -6.570 -9.354) 11.924 6.658 ( -3.180 -18.563 -3.077) 19.083 6.937 ( -0.975 0.325 -0.611) 1.195 7.290 ( -5.774 -26.100 -11.365) 29.046 7.848 ( 17.088 23.074 2.500) 28.821 8.754 ( 3.928 20.972 -10.771) 23.902 8.824 ( -8.506 3.543 4.883) 10.429 14.259 ( -1.391 -0.358 -0.000) 1.436 14.442 ( 0.815 14.476 0.631) 14.512 16.340 ( 1.088 0.201 0.502) 1.215 16.407 ( -1.325 -0.023 1.048) 1.690 18.013 ( 0.320 -2.287 0.201) 2.318 18.309 ( 1.528 -13.535 -3.369) 14.031 ======================= Grid point 292 (155/226) ======================= q-point: ( 0.36 0.36 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -4.020 -7.302 17.379) 19.275 1.387 ( 0.553 -2.210 22.729) 22.842 1.985 ( 3.948 5.318 15.712) 17.051 2.289 ( -2.149 2.650 9.609) 10.197 2.603 ( -0.520 8.628 6.062) 10.557 3.039 ( -0.998 -4.461 -7.680) 8.937 4.179 ( 6.927 -2.051 6.676) 9.836 4.254 ( -6.327 -0.446 7.489) 9.813 4.641 ( 1.907 -7.278 3.716) 8.391 5.543 ( -0.881 -5.341 3.179) 6.278 5.694 ( -2.950 -3.336 2.258) 4.993 6.216 ( 1.391 -12.244 -8.116) 14.755 6.473 ( 5.202 -18.821 -0.120) 19.527 6.931 ( -1.402 -10.144 -5.810) 11.774 6.970 ( -1.171 -5.328 -4.986) 7.390 8.325 ( 14.811 20.882 3.116) 25.791 8.626 ( -19.523 12.930 -6.236) 24.232 9.000 ( 4.181 16.241 -0.796) 16.789 14.227 ( -1.958 0.243 -0.091) 1.975 14.622 ( 0.805 19.769 0.203) 19.787 16.365 ( 0.285 0.668 0.834) 1.106 16.397 ( 0.157 0.023 0.227) 0.277 17.991 ( 0.165 -3.840 0.153) 3.846 18.148 ( 0.293 -19.604 -2.694) 19.790 ======================= Grid point 293 (156/226) ======================= q-point: ( 0.45 0.36 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 0.722 -4.606 13.516) 14.297 1.568 ( 5.229 -3.512 20.076) 21.041 2.123 ( -2.743 2.911 10.979) 11.685 2.376 ( 4.630 1.060 8.063) 9.358 2.713 ( -2.354 9.546 4.048) 10.633 2.904 ( 0.759 -8.943 -9.638) 13.170 4.169 ( -6.128 1.241 4.993) 8.002 4.341 ( 7.443 -3.033 4.193) 9.065 4.607 ( 5.701 -13.793 -2.958) 15.215 5.466 ( -3.177 -7.247 0.669) 7.941 5.617 ( -1.730 -4.112 1.208) 4.622 6.124 ( 3.727 -9.142 -2.461) 10.174 6.459 ( 11.026 -14.844 0.432) 18.496 6.725 ( -1.133 -12.981 -4.564) 13.807 6.992 ( 2.940 0.874 -1.552) 3.438 8.330 ( -24.232 15.245 -12.479) 31.230 8.749 ( 10.465 18.028 5.855) 21.652 9.180 ( -0.738 14.798 4.252) 15.414 14.207 ( -1.034 0.600 0.067) 1.197 14.811 ( -1.686 20.604 2.927) 20.879 16.361 ( -1.396 0.604 0.786) 1.712 16.419 ( 1.785 -0.018 -0.153) 1.791 17.939 ( 0.638 -14.750 -2.109) 14.914 17.962 ( 0.724 -10.557 -2.921) 10.978 ======================= Grid point 294 (157/226) ======================= q-point: ( 0.55 0.36 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 11.249 1.410 5.399) 12.557 1.718 ( 4.519 -3.795 14.738) 15.876 2.109 ( -6.487 2.189 2.048) 7.147 2.452 ( 0.059 -7.230 -5.194) 8.902 2.674 ( 1.370 -4.162 3.515) 5.617 2.921 ( 2.784 5.914 0.552) 6.560 4.132 ( -3.589 3.511 1.208) 5.164 4.344 ( 0.490 -10.182 -7.019) 12.377 4.599 ( 10.620 -11.661 -0.018) 15.772 5.343 ( -2.523 -6.840 -0.853) 7.340 5.613 ( 1.009 -0.035 2.202) 2.422 6.108 ( 2.800 -3.621 -2.003) 4.996 6.521 ( 10.085 -9.308 -2.151) 13.892 6.612 ( 1.233 -8.323 -1.029) 8.476 7.062 ( 9.316 -8.127 5.451) 13.511 7.980 ( -26.719 17.563 -17.364) 36.385 9.069 ( 5.624 14.140 8.391) 17.378 9.294 ( -4.581 10.628 8.284) 14.233 14.206 ( 0.006 0.356 0.475) 0.593 14.969 ( -4.919 17.760 7.134) 19.761 16.352 ( -0.951 0.653 0.612) 1.306 16.439 ( 0.936 -0.579 0.245) 1.128 17.771 ( 3.830 -17.786 -7.622) 19.726 17.910 ( 0.261 -3.580 -2.239) 4.230 ======================= Grid point 295 (158/226) ======================= q-point: ( 0.64 0.36 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 17.434 5.756 -1.640) 18.433 1.812 ( -1.735 1.613 7.738) 8.092 1.972 ( -5.233 -9.005 -8.877) 13.684 2.263 ( -1.960 -8.486 -6.621) 10.940 2.768 ( 6.272 -2.898 4.927) 8.486 2.990 ( -3.580 6.768 1.937) 7.897 4.121 ( -0.106 -1.984 -6.450) 6.749 4.191 ( -0.929 -3.349 -5.250) 6.296 4.669 ( 8.898 -9.300 0.045) 12.871 5.274 ( -0.125 -2.104 -1.099) 2.377 5.644 ( 1.486 1.495 -1.510) 2.593 6.115 ( 1.894 0.375 -3.231) 3.764 6.531 ( 1.145 -3.719 -3.733) 5.393 6.600 ( 2.574 -1.361 -2.410) 3.779 7.227 ( 19.025 -18.083 13.784) 29.647 7.620 ( -23.913 17.143 -16.879) 33.921 9.282 ( -0.145 11.637 7.804) 14.012 9.326 ( -6.861 2.349 12.215) 14.206 14.217 ( 0.755 -0.123 0.801) 1.108 15.053 ( -8.213 10.308 11.183) 17.284 16.352 ( -0.327 0.626 0.604) 0.930 16.443 ( -0.007 -0.657 0.810) 1.043 17.663 ( 6.635 -10.187 -11.711) 16.881 17.878 ( 1.124 -1.801 -3.104) 3.761 ======================= Grid point 296 (159/226) ======================= q-point: (-0.27 0.36 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -10.268 -8.346 -11.432) 17.487 1.780 ( -8.510 2.158 0.611) 8.801 1.953 ( 16.268 5.153 -2.224) 17.209 2.232 ( 7.297 -4.808 -1.633) 8.890 2.819 ( 1.575 -1.082 -5.428) 5.755 2.945 ( -9.467 1.446 6.504) 11.576 4.015 ( 1.413 -5.325 -6.338) 8.398 4.236 ( 2.017 9.003 -3.295) 9.797 4.690 ( 4.897 -9.001 -2.250) 10.491 5.291 ( 3.634 3.068 -3.383) 5.836 5.675 ( 2.022 2.707 -2.949) 4.485 6.124 ( 0.175 3.781 -6.697) 7.692 6.452 ( -5.907 0.429 -4.577) 7.484 6.603 ( 0.362 3.448 -6.252) 7.149 7.283 ( -9.935 6.888 -14.395) 18.798 7.574 ( 19.343 -15.004 22.416) 33.193 9.260 ( -12.875 1.912 11.371) 17.283 9.379 ( -0.996 -0.663 8.363) 8.448 14.235 ( 1.085 -0.533 0.730) 1.412 15.028 ( -10.288 -0.573 13.644) 17.098 16.360 ( 0.319 0.363 0.583) 0.757 16.440 ( -0.752 0.136 0.957) 1.225 17.655 ( 8.444 0.029 -14.016) 16.363 17.878 ( 2.216 0.361 -3.329) 4.015 ======================= Grid point 297 (160/226) ======================= q-point: (-0.18 0.36 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -10.968 -2.597 -6.994) 13.265 1.659 ( -12.632 8.270 0.872) 15.123 2.107 ( 0.745 -4.726 5.624) 7.384 2.367 ( 10.414 1.708 -5.152) 11.744 2.721 ( -5.685 3.121 -11.129) 12.881 2.852 ( -4.813 -4.710 7.933) 10.406 4.033 ( 4.090 4.120 -0.973) 5.887 4.327 ( 0.896 7.613 -2.057) 7.937 4.633 ( 0.070 -6.152 -4.983) 7.917 5.401 ( 8.842 6.184 -8.037) 13.454 5.720 ( 1.312 3.449 -0.874) 3.792 6.072 ( -7.118 10.194 -14.364) 18.998 6.350 ( -3.470 3.474 -3.634) 6.109 6.613 ( 1.549 5.328 -6.898) 8.853 7.140 ( -3.965 2.271 -8.154) 9.346 7.931 ( 22.545 -15.273 25.023) 36.983 9.097 ( -15.365 -3.850 11.117) 19.352 9.343 ( -3.648 -8.218 4.943) 10.261 14.248 ( 0.910 -0.702 0.080) 1.152 14.900 ( -10.047 -10.455 14.224) 20.312 16.375 ( 0.804 -0.020 0.648) 1.033 16.433 ( -1.216 0.731 0.328) 1.456 17.749 ( 8.719 8.993 -13.456) 18.384 17.910 ( 2.738 2.305 -3.181) 4.788 ======================= Grid point 302 (161/226) ======================= q-point: ( 0.27 0.45 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -5.861 2.127 12.537) 14.002 1.683 ( -4.404 2.128 9.865) 11.011 1.907 ( -5.608 1.175 11.061) 12.457 2.393 ( -2.780 6.322 9.543) 11.780 2.634 ( -1.143 4.528 1.678) 4.962 3.062 ( -0.404 -2.807 -6.119) 6.744 3.950 ( 4.449 -4.202 4.909) 7.846 4.515 ( -6.264 3.278 3.091) 7.716 4.726 ( -6.883 -7.472 4.184) 10.987 5.485 ( 1.216 -1.856 0.930) 2.406 5.816 ( -0.936 1.206 -0.098) 1.530 6.151 ( 2.253 -8.139 -8.366) 11.888 6.521 ( -5.271 -19.207 -6.895) 21.077 6.931 ( -0.926 -4.778 -2.121) 5.309 7.125 ( -5.496 -17.051 -1.372) 17.967 7.833 ( 12.224 22.037 -2.401) 25.315 8.736 ( 11.455 18.843 -0.068) 22.051 9.063 ( -7.309 4.485 7.561) 11.433 14.267 ( 0.087 0.059 -0.228) 0.251 14.564 ( 2.175 12.780 5.409) 14.047 16.341 ( -0.138 1.131 0.564) 1.271 16.432 ( -0.892 -0.430 1.549) 1.839 17.979 ( 0.301 -2.792 -1.920) 3.401 18.141 ( 0.160 -12.847 -6.778) 14.526 ======================= Grid point 303 (162/226) ======================= q-point: ( 0.36 0.45 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 0.822 -4.014 18.166) 18.622 1.569 ( -11.240 -5.390 14.675) 19.255 2.024 ( 5.310 2.879 10.283) 11.926 2.451 ( -4.477 5.863 7.744) 10.695 2.702 ( 1.130 7.990 1.999) 8.314 2.947 ( -1.851 -8.285 -9.340) 12.621 4.049 ( 8.400 -4.897 6.563) 11.731 4.439 ( -7.998 0.602 3.811) 8.880 4.567 ( -4.080 -12.285 1.163) 12.997 5.504 ( 2.128 -3.745 2.473) 4.967 5.734 ( -5.010 -5.453 -2.295) 7.753 6.025 ( 0.207 -13.850 -3.877) 14.384 6.273 ( -0.303 -14.686 -0.567) 14.700 6.822 ( -3.863 -11.941 -4.358) 13.286 6.976 ( -1.211 0.634 0.290) 1.398 8.242 ( 18.143 18.852 -5.865) 26.814 8.965 ( -13.776 5.649 2.499) 15.098 9.098 ( 6.635 24.012 0.970) 24.930 14.253 ( -1.170 -0.304 0.018) 1.209 14.790 ( 2.924 21.858 0.943) 22.073 16.363 ( 0.787 1.256 0.836) 1.702 16.418 ( -1.487 -0.175 1.151) 1.889 17.926 ( 0.083 -15.829 -2.313) 15.998 17.959 ( -0.461 -10.215 -2.290) 10.479 ======================= Grid point 304 (163/226) ======================= q-point: ( 0.45 0.45 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -6.112 -6.821 12.391) 15.409 1.589 ( 3.814 -7.206 22.836) 24.248 2.169 ( 4.205 -3.517 9.991) 11.396 2.467 ( -4.976 6.616 4.341) 9.347 2.716 ( -0.599 -15.757 -11.581) 19.564 2.851 ( 0.354 12.467 1.045) 12.516 4.193 ( 10.095 -5.781 7.080) 13.618 4.335 ( -7.984 -0.837 4.970) 9.442 4.387 ( -1.203 -15.227 -4.852) 16.026 5.467 ( -4.198 -5.915 1.172) 7.347 5.605 ( 0.134 -6.716 0.460) 6.733 5.944 ( 4.356 -11.056 3.872) 12.498 6.207 ( 5.120 -9.977 -0.665) 11.234 6.638 ( -3.160 -10.016 -1.589) 10.622 6.990 ( 0.008 4.315 -3.356) 5.467 8.640 ( 13.783 14.042 -5.068) 20.318 8.761 ( -15.900 8.759 -4.314) 18.658 9.386 ( 1.012 21.712 3.559) 22.025 14.232 ( -1.308 0.286 0.018) 1.339 15.040 ( 0.796 25.691 -1.459) 25.745 16.391 ( 1.285 0.138 -0.239) 1.314 16.402 ( -1.642 0.859 1.860) 2.626 17.695 ( 0.413 -26.177 -0.998) 26.199 17.906 ( 0.248 -4.898 -0.546) 4.935 ======================= Grid point 305 (164/226) ======================= q-point: ( 0.55 0.45 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 3.313 -4.611 8.838) 10.505 1.710 ( 2.720 -8.977 20.491) 22.536 2.172 ( -0.972 -9.611 -4.234) 10.547 2.427 ( -5.994 -1.251 -3.110) 6.868 2.546 ( 3.229 -7.571 2.577) 8.625 3.003 ( 1.910 12.910 0.589) 13.064 4.188 ( -1.959 -11.575 -7.233) 13.789 4.247 ( -5.394 0.043 2.896) 6.122 4.350 ( 11.093 -9.442 7.011) 16.166 5.340 ( -4.001 -5.286 0.793) 6.676 5.610 ( 1.652 -1.549 3.385) 4.073 5.978 ( 7.310 -7.465 3.018) 10.875 6.228 ( 9.591 -11.437 1.429) 14.995 6.535 ( 0.068 -6.448 0.960) 6.520 7.001 ( -0.211 2.713 -2.726) 3.852 8.434 ( -24.460 13.671 -13.361) 31.044 8.999 ( 14.686 5.405 1.880) 15.762 9.562 ( -4.111 17.779 2.990) 18.492 14.219 ( -0.819 0.415 0.228) 0.946 15.241 ( -2.997 23.501 -2.305) 23.803 16.392 ( -1.263 1.333 1.726) 2.520 16.416 ( 0.911 -0.261 0.552) 1.097 17.485 ( 3.602 -24.541 -0.464) 24.808 17.864 ( 0.122 -4.044 -0.555) 4.084 ======================= Grid point 306 (165/226) ======================= q-point: ( 0.64 0.45 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 13.155 0.254 1.709) 13.268 1.774 ( 2.957 -9.772 12.253) 15.949 1.947 ( -4.745 -10.754 -9.322) 15.002 2.314 ( -9.064 4.843 -2.210) 10.512 2.622 ( 8.401 -5.825 4.606) 11.213 3.120 ( -0.737 8.231 0.558) 8.283 4.026 ( -1.713 -7.482 -5.490) 9.437 4.207 ( -1.634 2.601 -1.422) 3.385 4.466 ( 8.728 -9.185 6.305) 14.152 5.275 ( -1.385 -1.149 1.387) 2.272 5.637 ( 0.413 0.867 0.656) 1.163 6.053 ( 4.784 -0.991 0.296) 4.895 6.319 ( 13.849 -12.380 1.704) 18.654 6.535 ( 3.127 -3.856 5.437) 7.363 7.013 ( 3.046 -2.754 1.892) 4.521 8.067 ( -26.238 15.814 -17.496) 35.279 9.234 ( 9.490 -1.754 6.619) 11.702 9.614 ( -7.862 11.848 0.444) 14.226 14.216 ( -0.130 -0.006 0.533) 0.549 15.320 ( -7.175 13.112 -1.653) 15.038 16.394 ( -2.334 1.054 3.317) 4.191 16.435 ( 1.215 0.605 0.252) 1.380 17.383 ( 7.858 -14.860 -1.898) 16.917 17.835 ( 0.506 -1.924 -0.953) 2.206 ======================= Grid point 307 (166/226) ======================= q-point: (-0.27 0.45 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 6.155 -1.276 -3.369) 7.131 1.693 ( 5.875 3.826 -7.479) 10.251 1.899 ( 2.983 -6.014 10.048) 12.085 2.202 ( -7.991 6.145 -3.059) 10.535 2.715 ( 6.328 -3.253 -0.499) 7.133 3.111 ( -6.056 -0.247 1.439) 6.229 3.953 ( -0.058 0.347 -1.465) 1.506 4.231 ( 3.021 5.544 -6.268) 8.897 4.530 ( 5.265 -8.581 4.558) 11.052 5.293 ( 0.646 3.722 2.208) 4.376 5.658 ( 0.972 2.508 -0.974) 2.861 6.107 ( 2.117 3.247 -2.956) 4.875 6.410 ( 7.699 -5.755 -3.092) 10.097 6.591 ( 0.873 -0.456 3.518) 3.653 7.114 ( 12.965 -10.876 10.186) 19.751 7.715 ( -21.099 14.337 -14.072) 29.133 9.343 ( 3.236 -8.407 10.751) 14.026 9.534 ( -10.377 4.179 -3.515) 11.726 14.220 ( 0.487 -0.658 0.631) 1.034 15.233 ( -9.926 -1.266 1.155) 10.073 16.382 ( -1.588 -0.291 2.488) 2.966 16.457 ( -0.204 1.250 0.416) 1.333 17.445 ( 10.334 0.133 -3.711) 10.981 17.838 ( 1.492 0.713 -1.301) 2.104 ======================= Grid point 308 (167/226) ======================= q-point: (-0.18 0.45 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -10.005 8.636 -1.935) 13.358 1.902 ( -5.192 -1.325 7.694) 9.376 1.978 ( 16.542 3.668 -5.941) 17.955 2.195 ( 2.965 4.546 0.094) 5.429 2.743 ( 0.044 2.571 -7.267) 7.708 2.968 ( -8.778 -6.513 5.256) 12.128 4.019 ( 3.759 6.882 1.990) 8.091 4.318 ( 5.842 7.436 -8.798) 12.916 4.532 ( 1.670 -6.512 1.439) 6.875 5.376 ( 0.936 7.934 1.450) 8.120 5.715 ( 2.906 4.222 -0.017) 5.126 6.140 ( -0.539 7.083 -6.379) 9.547 6.413 ( -1.104 0.376 -3.659) 3.841 6.595 ( 0.136 2.658 -3.981) 4.788 7.181 ( -3.503 -0.226 -8.455) 9.155 7.665 ( 11.424 -4.454 16.991) 20.953 9.317 ( -1.954 -14.140 8.471) 16.599 9.321 ( -12.940 -4.038 -2.953) 13.873 14.226 ( 0.836 -1.140 0.316) 1.449 15.024 ( -10.469 -12.005 5.057) 16.712 16.376 ( -0.339 -0.398 1.520) 1.607 16.453 ( -0.866 0.249 -0.724) 1.156 17.637 ( 9.622 11.623 -5.227) 15.969 17.878 ( 2.389 2.896 -1.490) 4.039 ======================= Grid point 313 (168/226) ======================= q-point: ( 0.27 0.55 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -13.197 3.634 4.990) 14.569 1.717 ( 5.772 3.485 0.200) 6.745 2.120 ( -11.117 -0.136 8.263) 13.852 2.490 ( 2.455 0.496 4.777) 5.394 2.694 ( -0.347 7.591 0.693) 7.631 2.978 ( 0.044 -6.966 -8.680) 11.129 3.906 ( -0.047 -2.483 3.118) 3.986 4.589 ( -2.028 -0.931 -3.776) 4.386 4.784 ( -7.758 -7.258 -2.317) 10.874 5.466 ( -0.548 -0.940 -3.366) 3.537 5.795 ( 3.556 3.208 -3.413) 5.881 6.042 ( -3.275 -7.418 -4.666) 9.355 6.397 ( -2.987 -13.439 -6.319) 15.148 6.876 ( -2.246 -5.965 -4.742) 7.945 7.082 ( 2.180 -2.949 0.392) 3.688 7.850 ( -1.118 6.039 -1.032) 6.227 8.763 ( 12.226 22.685 7.684) 26.892 9.212 ( -0.896 -0.529 13.895) 13.934 14.258 ( 0.631 -0.042 -0.423) 0.760 14.668 ( 4.036 9.048 11.716) 15.343 16.369 ( -0.821 2.308 0.506) 2.502 16.444 ( 0.088 -0.736 1.865) 2.007 17.930 ( -0.759 -3.444 -6.662) 7.538 18.001 ( -1.849 -9.032 -8.826) 12.763 ======================= Grid point 314 (169/226) ======================= q-point: ( 0.36 0.55 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -4.166 -1.518 11.751) 12.560 1.774 ( -7.752 -2.159 5.565) 9.784 2.012 ( 0.282 -0.476 2.300) 2.366 2.553 ( 1.363 1.296 2.082) 2.806 2.735 ( -1.244 -5.042 -2.823) 5.911 2.875 ( -0.712 3.276 -2.889) 4.425 3.938 ( 4.238 -3.872 4.937) 7.572 4.423 ( -3.952 -11.600 -7.771) 14.511 4.659 ( -6.391 -1.831 4.157) 7.841 5.442 ( 1.919 -2.727 -1.492) 3.653 5.719 ( -5.451 -7.971 -4.950) 10.851 5.938 ( -0.472 -5.255 0.865) 5.346 6.226 ( -5.308 -8.356 3.029) 10.352 6.771 ( -3.116 -6.839 -3.574) 8.322 7.019 ( -3.932 -4.232 6.287) 8.538 8.038 ( 17.479 14.319 -14.747) 26.982 9.184 ( 0.897 10.097 12.037) 15.737 9.229 ( 0.594 14.621 1.467) 14.706 14.258 ( -0.038 -0.475 -0.184) 0.511 14.926 ( 5.578 17.933 5.336) 19.524 16.384 ( -0.704 2.360 0.819) 2.596 16.443 ( -0.772 -0.239 1.489) 1.694 17.742 ( -2.912 -18.565 -7.107) 20.091 17.900 ( -0.271 -4.144 -2.061) 4.636 ======================= Grid point 315 (170/226) ======================= q-point: ( 0.45 0.55 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -4.106 -5.251 13.064) 14.666 1.618 ( -4.877 -8.926 14.529) 17.736 2.069 ( 6.225 -6.433 -3.879) 9.756 2.545 ( -4.227 -15.184 -0.412) 15.767 2.595 ( 0.535 3.544 -0.981) 3.716 2.961 ( -0.517 13.348 -0.767) 13.380 4.022 ( 7.923 -6.814 6.271) 12.187 4.226 ( -1.549 -11.464 -6.320) 13.182 4.549 ( -10.211 -1.303 7.012) 12.456 5.460 ( 5.369 -4.658 -0.618) 7.135 5.526 ( -6.998 -8.319 1.485) 10.972 5.887 ( -1.292 -5.843 3.465) 6.914 6.121 ( -2.627 -5.407 4.505) 7.512 6.613 ( -4.724 -8.443 -0.120) 9.676 7.009 ( 0.005 2.759 -0.871) 2.893 8.398 ( 21.700 12.855 -13.172) 28.455 9.072 ( -14.697 3.752 0.689) 15.184 9.546 ( 5.103 19.170 2.160) 19.955 14.249 ( -0.624 -0.116 -0.081) 0.640 15.211 ( 4.819 23.300 -2.853) 23.963 16.388 ( -0.819 0.562 -0.364) 1.058 16.445 ( -0.768 1.514 1.864) 2.521 17.473 ( -2.645 -24.834 0.929) 24.991 17.856 ( 0.285 -4.051 -0.503) 4.092 ======================= Grid point 316 (171/226) ======================= q-point: ( 0.55 0.55 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -6.703 -5.503 8.813) 12.365 1.685 ( 5.700 -12.447 21.588) 25.563 1.993 ( 2.033 -11.518 -10.844) 15.949 2.395 ( -1.856 -12.298 10.723) 16.421 2.623 ( -2.853 6.299 -1.261) 7.029 3.063 ( 1.616 11.340 -5.772) 12.826 4.068 ( 0.080 -8.188 -2.634) 8.602 4.158 ( 8.756 -7.880 6.987) 13.696 4.414 ( -10.728 -1.241 7.986) 13.432 5.373 ( -4.554 -6.578 2.480) 8.376 5.529 ( 6.805 -3.144 2.027) 7.765 5.857 ( 1.721 -6.163 5.068) 8.163 6.091 ( 0.768 -4.862 3.806) 6.222 6.502 ( -1.587 -5.140 1.421) 5.564 7.025 ( -0.672 4.031 -3.429) 5.335 8.752 ( 15.402 9.329 -9.749) 20.477 8.834 ( -15.672 5.599 -4.876) 17.342 9.738 ( 0.443 12.727 -1.746) 12.854 14.237 ( -0.852 0.185 0.042) 0.873 15.428 ( 1.038 22.220 -12.158) 25.350 16.383 ( 0.947 0.138 -0.656) 1.160 16.462 ( -1.193 2.096 2.297) 3.331 17.250 ( -0.270 -24.369 9.588) 26.189 17.828 ( 0.221 -3.221 0.897) 3.351 ======================= Grid point 317 (172/226) ======================= q-point: ( 0.64 0.55 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 3.944 -4.476 6.543) 8.854 1.748 ( 0.962 -11.784 17.487) 21.109 1.876 ( -1.496 -2.421 -3.640) 4.620 2.389 ( 3.702 -7.605 9.588) 12.786 2.591 ( -5.544 4.773 -2.110) 7.614 3.133 ( 2.951 4.517 -8.289) 9.890 3.993 ( -1.473 -1.450 -1.061) 2.323 4.293 ( 9.772 -7.781 8.781) 15.269 4.299 ( -8.177 -0.599 6.287) 10.332 5.302 ( -1.519 -1.437 2.574) 3.316 5.623 ( 4.666 -0.542 1.572) 4.954 5.917 ( 9.203 -7.292 7.901) 14.153 6.092 ( 2.735 -5.263 2.517) 6.443 6.493 ( 2.377 -2.305 4.625) 5.688 7.014 ( -1.826 2.628 -3.323) 4.613 8.493 ( -23.911 11.291 -13.885) 29.866 9.051 ( 15.136 0.483 -1.102) 15.183 9.769 ( -3.812 5.453 -6.178) 9.079 14.226 ( -0.743 0.029 0.207) 0.771 15.465 ( -4.019 10.979 -17.442) 20.998 16.411 ( 1.562 0.143 0.140) 1.574 16.472 ( -1.380 2.149 1.653) 3.042 17.178 ( 4.390 -13.312 14.738) 20.340 17.817 ( 0.130 -1.282 1.512) 1.986 ======================= Grid point 318 (173/226) ======================= q-point: (-0.27 -0.45 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 13.290 -1.843 -0.095) 13.418 1.775 ( 1.261 -3.914 11.716) 12.417 1.843 ( -3.184 1.617 2.648) 4.446 2.413 ( -6.819 7.201 0.386) 9.925 2.583 ( 5.621 -2.954 2.880) 6.972 3.117 ( 0.467 -3.490 -7.187) 8.004 3.991 ( -0.177 3.612 1.618) 3.962 4.225 ( -3.858 1.276 0.490) 4.093 4.420 ( 6.367 -5.306 8.678) 12.000 5.338 ( 1.696 4.706 4.335) 6.620 5.677 ( 0.555 2.762 0.700) 2.903 6.079 ( 7.341 0.098 3.806) 8.270 6.130 ( 10.590 -10.339 3.312) 15.166 6.580 ( 4.456 -0.979 8.136) 9.328 6.992 ( 0.781 -1.451 0.272) 1.670 8.118 ( -24.820 13.227 -17.249) 32.993 9.223 ( 8.765 -6.606 3.582) 11.545 9.645 ( -7.297 -1.670 -9.903) 12.414 14.217 ( -0.377 -0.529 0.261) 0.700 15.311 ( -6.851 -2.480 -14.106) 15.877 16.414 ( -1.042 -1.432 2.050) 2.709 16.473 ( -0.504 0.156 -0.792) 0.952 17.329 ( 8.400 3.638 12.272) 15.310 17.831 ( 0.557 1.224 1.307) 1.875 ======================= Grid point 319 (174/226) ======================= q-point: (-0.18 -0.45 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 19.024 1.822 -6.884) 20.313 1.791 ( -8.333 9.161 -3.172) 12.784 1.861 ( 5.927 -10.096 10.551) 15.760 2.366 ( -7.794 9.551 2.007) 12.490 2.700 ( 5.066 3.375 0.898) 6.153 3.012 ( -2.843 -6.710 -2.684) 7.766 4.068 ( 1.809 5.124 5.190) 7.514 4.217 ( 2.848 2.936 -6.168) 7.401 4.494 ( 1.842 -1.806 5.406) 5.990 5.486 ( 1.474 11.676 7.086) 13.737 5.719 ( 1.264 4.343 0.183) 4.527 6.161 ( 1.711 4.606 -0.510) 4.940 6.269 ( 12.166 -6.258 0.640) 13.696 6.643 ( -2.645 1.639 2.370) 3.911 7.069 ( 9.539 -6.262 6.917) 13.344 7.785 ( -16.659 10.181 -11.063) 22.440 9.212 ( -0.608 -15.786 -1.833) 15.904 9.428 ( -7.554 -5.714 -3.752) 10.188 14.209 ( 0.167 -1.099 0.161) 1.123 15.060 ( -7.966 -11.444 -6.460) 15.367 16.394 ( -1.238 -1.320 2.219) 2.863 16.451 ( -0.349 -1.191 -1.818) 2.201 17.608 ( 8.383 13.559 5.821) 16.971 17.873 ( 1.378 3.320 0.625) 3.649 ======================= Grid point 324 (175/226) ======================= q-point: ( 0.27 0.64 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 8.808 -0.365 -2.858) 9.267 1.757 ( -15.034 2.930 -1.301) 15.372 2.260 ( 3.581 -0.532 0.310) 3.633 2.435 ( -1.702 -3.428 2.261) 4.446 2.766 ( -0.131 3.750 -2.114) 4.307 2.842 ( 2.287 -5.381 -5.034) 7.716 3.949 ( -4.525 0.504 1.114) 4.688 4.526 ( 3.059 -3.021 -7.123) 8.320 4.801 ( -8.360 -7.725 -11.281) 16.025 5.434 ( 0.344 2.010 -5.633) 5.990 5.758 ( 2.185 4.403 -5.581) 7.437 6.059 ( -6.027 -1.974 -1.478) 6.512 6.280 ( 1.045 -7.563 -6.264) 9.876 6.832 ( -0.555 -2.751 -7.634) 8.134 6.986 ( 7.564 5.840 -4.592) 10.602 7.986 ( -15.109 -11.712 9.786) 21.476 8.840 ( 12.473 23.533 9.698) 28.345 9.261 ( 4.053 -5.056 19.378) 20.432 14.243 ( 0.520 -0.638 -0.387) 0.910 14.747 ( 5.354 4.692 17.397) 18.797 16.406 ( -0.426 2.605 0.354) 2.663 16.438 ( 1.178 -0.909 1.926) 2.434 17.859 ( -4.515 -3.853 -16.159) 17.214 17.939 ( -1.979 -2.863 -5.136) 6.204 ======================= Grid point 325 (176/226) ======================= q-point: ( 0.36 0.64 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -12.012 0.064 4.632) 12.875 1.709 ( 10.053 -0.111 -7.925) 12.801 2.151 ( -14.168 -2.953 2.092) 14.623 2.425 ( 7.843 -7.046 -8.693) 13.665 2.666 ( -1.912 -6.006 -2.363) 6.731 2.956 ( 2.776 8.507 5.986) 10.765 3.923 ( -1.429 0.626 2.353) 2.823 4.342 ( -6.289 -11.925 -8.497) 15.936 4.687 ( 1.269 -1.247 -3.369) 3.810 5.402 ( -1.172 0.493 -5.070) 5.227 5.707 ( -3.460 -3.767 -4.537) 6.838 5.970 ( -5.128 -0.826 4.111) 6.624 6.254 ( 0.056 -1.768 2.275) 2.882 6.743 ( -2.346 -3.898 -3.666) 5.843 7.081 ( -1.230 -2.717 6.104) 6.794 7.832 ( 5.593 3.658 -11.473) 13.278 9.275 ( 11.268 19.182 4.341) 22.667 9.339 ( -2.202 -4.114 14.327) 15.068 14.245 ( 0.716 -0.576 -0.419) 1.010 15.004 ( 7.015 9.892 11.173) 16.489 16.425 ( -0.674 2.197 0.782) 2.427 16.454 ( 0.248 -0.326 1.272) 1.337 17.614 ( -5.820 -10.719 -11.817) 16.982 17.867 ( -1.287 -2.324 -2.631) 3.739 ======================= Grid point 326 (177/226) ======================= q-point: ( 0.45 0.64 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -2.850 -5.221 10.971) 12.480 1.749 ( -2.091 -2.178 -2.720) 4.064 1.894 ( -7.168 -8.009 -3.143) 11.198 2.433 ( 6.760 -4.615 -7.584) 11.159 2.607 ( -2.216 -3.207 6.180) 7.307 3.087 ( -0.299 9.140 1.144) 9.216 3.930 ( 1.441 -2.370 2.797) 3.939 4.141 ( -2.644 -7.731 -2.817) 8.642 4.669 ( -2.022 -1.584 1.562) 3.006 5.355 ( 0.174 -2.474 -3.869) 4.595 5.596 ( -5.017 -2.487 1.396) 5.772 5.905 ( -4.536 -3.746 5.872) 8.312 6.220 ( -6.523 -1.671 7.996) 10.454 6.621 ( -4.893 -6.868 -0.219) 8.435 7.042 ( -2.437 -1.520 5.182) 5.925 8.058 ( 21.968 12.583 -20.124) 32.340 9.287 ( -8.569 -2.226 6.547) 11.011 9.590 ( 8.304 12.521 -0.729) 15.042 14.248 ( 0.345 -0.254 -0.281) 0.512 15.265 ( 7.806 12.625 -0.163) 14.844 16.417 ( -2.170 0.307 -0.376) 2.224 16.465 ( 0.569 0.867 -0.122) 1.044 17.367 ( -6.084 -13.760 0.929) 15.074 17.825 ( -0.361 -1.878 -0.593) 2.002 ======================= Grid point 327 (178/226) ======================= q-point: ( 0.55 0.64 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -7.249 -5.956 9.720) 13.509 1.611 ( -0.889 -11.270 13.930) 17.940 1.842 ( 3.831 1.693 -4.429) 6.096 2.422 ( -2.330 -8.203 8.803) 12.256 2.617 ( 3.390 -0.039 -1.709) 3.797 3.115 ( -2.213 6.349 -7.507) 10.078 3.984 ( 6.002 -3.642 5.806) 9.110 4.063 ( -1.613 -2.790 1.263) 3.461 4.610 ( -7.066 -1.756 7.756) 10.638 5.318 ( 1.959 -6.290 -0.859) 6.644 5.526 ( -4.597 0.793 3.770) 5.998 5.844 ( -2.258 -5.687 7.301) 9.526 6.149 ( -6.044 -1.381 7.845) 9.999 6.506 ( -2.953 -4.123 1.597) 5.317 7.047 ( -0.209 2.462 -0.791) 2.595 8.419 ( 23.638 10.143 -16.432) 30.523 9.115 ( -14.505 0.903 -0.838) 14.557 9.752 ( 4.810 5.208 -6.663) 9.729 14.247 ( -0.233 0.070 -0.051) 0.248 15.439 ( 5.660 10.570 -15.709) 19.762 16.379 ( -1.075 0.090 -1.301) 1.690 16.477 ( 0.818 -0.391 -0.848) 1.241 17.216 ( -5.270 -10.655 16.936) 20.691 17.813 ( 0.098 -1.060 1.688) 1.996 ======================= Grid point 328 (179/226) ======================= q-point: (-0.36 -0.36 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -6.735 -6.279 6.914) 11.515 1.680 ( 6.788 -15.804 19.350) 25.890 1.943 ( -0.681 12.884 2.513) 13.144 2.361 ( -1.860 -9.286 15.317) 18.008 2.643 ( 1.397 0.050 -5.438) 5.615 3.064 ( -0.285 1.501 -11.980) 12.077 4.026 ( -2.681 1.165 1.373) 3.229 4.129 ( 9.797 -3.781 8.287) 13.377 4.520 ( -10.646 -0.847 13.350) 17.096 5.300 ( 1.754 -3.206 1.845) 4.094 5.531 ( 2.651 -0.705 3.320) 4.307 5.838 ( 1.596 -5.458 8.804) 10.481 6.110 ( -3.405 0.128 5.599) 6.554 6.482 ( 0.549 -0.552 3.739) 3.819 7.048 ( -1.564 2.976 -3.216) 4.653 8.751 ( 18.812 5.216 -11.431) 22.622 8.845 ( -17.759 3.560 -7.074) 19.445 9.754 ( 0.757 -1.520 -11.894) 12.014 14.240 ( -0.778 0.099 0.112) 0.792 15.416 ( 0.787 2.814 -26.214) 26.376 16.388 ( 1.722 0.822 -0.113) 1.911 16.471 ( 0.727 -2.063 -1.432) 2.615 17.231 ( -2.490 -1.796 26.078) 26.258 17.826 ( 0.017 0.199 3.260) 3.266 ======================= Grid point 329 (180/226) ======================= q-point: (-0.27 -0.36 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 3.600 -6.355 5.191) 8.960 1.719 ( 2.502 -16.173 17.423) 23.904 1.998 ( -4.343 5.839 -0.441) 7.290 2.473 ( 5.199 5.879 14.858) 16.803 2.590 ( -2.835 -0.727 -5.137) 5.913 2.994 ( 1.734 -3.536 -11.245) 11.914 4.014 ( -0.517 0.286 1.974) 2.061 4.279 ( 4.879 -2.267 2.857) 6.092 4.460 ( -7.613 2.392 17.117) 18.886 5.369 ( 3.903 5.494 4.887) 8.324 5.627 ( 7.940 -1.931 2.737) 8.617 5.894 ( 4.980 -7.278 10.495) 13.708 6.122 ( -0.646 3.138 4.546) 5.561 6.556 ( 4.030 1.236 6.937) 8.117 7.009 ( -3.120 1.429 -3.564) 4.948 8.491 ( -22.336 7.709 -15.139) 28.062 8.994 ( 14.087 -3.720 -3.719) 15.037 9.610 ( -3.038 -6.236 -15.601) 17.074 14.225 ( -1.065 -0.263 0.031) 1.097 15.229 ( -2.310 -4.507 -24.450) 24.969 16.416 ( 0.658 -0.305 0.812) 1.089 16.448 ( 0.586 -2.783 -1.746) 3.337 17.416 ( 2.140 7.645 23.695) 24.990 17.856 ( -0.039 1.781 3.508) 3.935 ======================= Grid point 330 (181/226) ======================= q-point: (-0.18 -0.36 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 12.782 -3.926 -1.426) 13.447 1.721 ( 4.422 -13.873 11.325) 18.446 1.943 ( -4.167 1.568 -4.022) 6.000 2.505 ( -3.322 -0.855 -2.332) 4.148 2.701 ( 3.453 7.553 5.363) 9.886 2.933 ( 2.389 -2.297 -4.858) 5.881 4.050 ( 3.278 -0.865 3.813) 5.102 4.262 ( -3.658 -0.509 1.215) 3.888 4.525 ( -0.808 3.015 9.155) 9.672 5.586 ( 6.724 13.041 7.029) 16.270 5.748 ( 2.771 3.879 3.268) 5.780 6.003 ( 11.372 -8.421 9.136) 16.844 6.200 ( 1.647 5.161 4.670) 7.152 6.696 ( 2.897 2.779 8.317) 9.235 6.958 ( 1.084 -2.510 0.060) 2.735 8.106 ( -22.055 8.861 -18.149) 29.905 9.030 ( 2.400 -15.928 -4.936) 16.847 9.409 ( -2.245 -5.023 -11.003) 12.302 14.205 ( -0.795 -0.761 -0.166) 1.113 14.986 ( -3.846 -9.410 -16.242) 19.161 16.411 ( -0.840 -1.618 1.640) 2.452 16.422 ( 0.364 -2.133 -1.544) 2.658 17.694 ( 4.609 13.105 14.952) 20.409 17.900 ( 0.342 3.203 2.585) 4.130 ======================= Grid point 335 (182/226) ======================= q-point: ( 0.27 -0.27 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 9.405 -2.364 -7.896) 12.506 1.953 ( -6.348 -3.311 2.962) 7.748 2.001 ( 14.588 -7.938 -10.526) 19.663 2.496 ( -0.222 -0.934 4.314) 4.419 2.724 ( -3.404 -0.851 -10.081) 10.674 2.819 ( 2.789 3.768 5.492) 7.221 4.042 ( -4.640 1.148 -0.915) 4.867 4.375 ( 6.465 -1.299 -7.303) 9.839 4.756 ( -5.202 -8.947 -13.646) 17.127 5.477 ( -4.961 8.162 -6.229) 11.403 5.723 ( 2.561 5.772 -7.640) 9.912 6.084 ( 2.791 -1.401 -9.041) 9.565 6.205 ( -4.745 0.345 -4.493) 6.544 6.737 ( 3.684 5.769 -12.297) 14.074 6.956 ( -1.003 -1.109 1.446) 2.080 8.191 ( -16.048 -17.475 16.548) 28.926 8.884 ( 12.684 15.529 7.914) 21.556 9.261 ( 5.229 -4.850 21.313) 22.475 14.228 ( 0.016 -1.335 -0.137) 1.342 14.800 ( 6.173 0.487 20.903) 21.801 16.415 ( 1.987 -0.794 1.539) 2.636 16.427 ( 0.346 1.342 -0.138) 1.393 17.827 ( -7.538 0.835 -19.639) 21.052 17.930 ( -2.274 -0.304 -4.284) 4.859 ======================= Grid point 336 (183/226) ======================= q-point: ( 0.36 -0.27 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 10.660 0.640 -7.881) 13.272 1.785 ( -13.537 -1.191 3.328) 13.991 2.070 ( 12.456 -6.465 -13.206) 19.271 2.407 ( -11.828 -2.192 1.240) 12.093 2.647 ( -0.512 2.134 -4.141) 4.687 2.972 ( 6.452 2.470 7.337) 10.078 4.005 ( -3.496 4.400 0.397) 5.634 4.296 ( -5.380 -8.700 -6.980) 12.384 4.591 ( 2.724 -1.520 -8.906) 9.437 5.438 ( -4.411 6.373 -6.135) 9.884 5.714 ( -2.942 -0.107 -3.628) 4.673 6.095 ( -5.467 3.692 1.066) 6.682 6.187 ( 8.400 1.776 -2.296) 8.888 6.722 ( -1.130 -1.329 -5.402) 5.677 7.037 ( 7.830 5.047 -3.541) 9.966 7.863 ( -14.921 -11.798 7.833) 20.571 9.224 ( 12.593 5.349 4.022) 14.261 9.402 ( 2.236 -2.537 15.257) 15.628 14.223 ( 0.818 -0.820 -0.352) 1.210 15.025 ( 6.924 0.521 15.484) 16.970 16.440 ( 0.695 0.159 -0.090) 0.718 16.445 ( 1.046 -0.834 1.243) 1.826 17.596 ( -8.177 0.871 -15.050) 17.150 17.868 ( -2.314 -0.077 -2.711) 3.565 ======================= Grid point 337 (184/226) ======================= q-point: ( 0.45 -0.27 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -11.260 -3.471 4.471) 12.603 1.632 ( 7.983 7.781 -1.933) 11.314 2.075 ( -8.463 -3.820 -5.438) 10.760 2.214 ( 2.807 -1.000 -6.427) 7.085 2.658 ( -1.025 -0.061 4.685) 4.797 3.106 ( 4.157 -0.425 2.107) 4.680 3.971 ( -5.214 3.155 -2.453) 6.569 4.141 ( -2.962 -1.723 2.372) 4.168 4.610 ( 4.927 -2.203 -3.720) 6.555 5.367 ( -4.971 2.501 -5.333) 7.708 5.651 ( -2.969 1.030 -0.064) 3.143 6.031 ( -7.013 0.973 5.210) 8.791 6.320 ( 1.403 2.064 5.822) 6.334 6.632 ( -3.765 -4.591 -1.238) 6.065 7.124 ( -2.745 -2.876 8.729) 9.591 7.746 ( 10.145 6.327 -16.363) 20.266 9.369 ( 0.446 -7.245 9.903) 12.279 9.514 ( 7.543 3.246 -3.349) 8.868 14.232 ( 1.063 -0.284 -0.427) 1.180 15.202 ( 7.737 -1.345 3.905) 8.771 16.434 ( -0.222 -1.869 -2.182) 2.881 16.451 ( 0.040 -0.262 0.801) 0.844 17.428 ( -7.716 2.873 -1.970) 8.466 17.830 ( -1.464 0.716 -0.554) 1.721 ======================= Grid point 338 (185/226) ======================= q-point: (-0.45 -0.27 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -2.304 -9.153 9.824) 13.623 1.773 ( -16.844 -5.555 0.630) 17.747 1.866 ( 4.949 17.553 5.208) 18.966 2.305 ( 9.846 -1.348 -6.629) 11.946 2.643 ( -4.530 -4.089 10.032) 11.742 3.100 ( 0.292 -3.947 -7.371) 8.366 3.942 ( 0.292 1.728 1.762) 2.485 4.145 ( -3.847 5.016 5.639) 8.471 4.646 ( 3.308 -3.219 2.407) 5.205 5.287 ( -2.962 0.245 -1.947) 3.553 5.634 ( -3.153 3.623 1.557) 5.049 5.950 ( -8.773 -2.982 11.171) 14.514 6.309 ( -7.722 -1.663 8.926) 11.919 6.536 ( -3.313 -2.443 1.941) 4.550 7.086 ( -2.922 -1.436 6.075) 6.892 8.013 ( 24.208 12.159 -23.111) 35.609 9.284 ( -8.284 -5.838 4.370) 11.036 9.602 ( 8.265 -2.817 -11.038) 14.074 14.244 ( 0.717 0.131 -0.180) 0.751 15.270 ( 7.004 -4.822 -11.718) 14.478 16.389 ( -1.205 -0.619 -2.300) 2.669 16.450 ( 0.204 -1.058 -0.165) 1.090 17.391 ( -6.360 5.261 13.496) 15.820 17.829 ( -0.507 1.521 1.793) 2.405 ======================= Grid point 339 (186/226) ======================= q-point: (-0.36 -0.27 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -6.647 -8.957 7.206) 13.279 1.550 ( -0.010 -12.727 11.710) 17.295 2.106 ( -0.230 12.419 3.802) 12.990 2.392 ( 5.490 0.196 3.272) 6.394 2.584 ( -3.459 -4.814 7.737) 9.747 2.994 ( -0.314 -4.641 -11.423) 12.334 4.010 ( 3.773 -1.437 5.093) 6.499 4.161 ( -4.223 7.325 3.532) 9.163 4.680 ( -0.486 -3.727 10.351) 11.013 5.282 ( 0.186 4.154 3.312) 5.316 5.610 ( -6.115 2.525 3.847) 7.653 5.864 ( -4.739 -6.715 13.568) 15.863 6.233 ( -5.821 0.789 6.076) 8.452 6.516 ( -1.310 1.530 4.046) 4.520 7.080 ( -1.315 1.503 0.318) 2.022 8.367 ( 24.178 8.279 -18.645) 31.635 9.069 ( -13.325 -3.736 -4.171) 14.454 9.580 ( 4.983 -7.070 -14.964) 17.284 14.251 ( -0.129 0.261 0.191) 0.348 15.190 ( 4.393 -7.285 -23.493) 24.986 16.377 ( 0.479 0.891 -0.481) 1.120 16.436 ( 0.056 -1.784 -0.650) 1.899 17.478 ( -4.595 7.323 22.634) 24.229 17.859 ( -0.101 1.992 3.665) 4.173 ======================= Grid point 340 (187/226) ======================= q-point: (-0.27 -0.27 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -6.101 -7.597 5.472) 11.175 1.593 ( 7.201 -18.115 16.466) 25.518 2.060 ( -5.799 -7.815 1.455) 9.840 2.491 ( 4.030 -5.839 -5.136) 8.758 2.642 ( 0.091 13.903 13.877) 19.644 2.878 ( 0.465 -5.120 -10.773) 11.937 4.044 ( -0.755 -2.915 5.311) 6.106 4.220 ( 2.472 3.412 1.961) 4.648 4.682 ( -4.220 -4.021 13.673) 14.864 5.425 ( 1.753 13.539 9.620) 16.701 5.567 ( -0.883 -1.418 5.378) 5.631 5.862 ( 1.382 -6.783 12.349) 14.157 6.226 ( -2.964 4.973 5.325) 7.866 6.574 ( 1.698 4.294 5.914) 7.503 7.055 ( -3.190 1.705 -2.234) 4.252 8.648 ( 13.722 0.183 -15.045) 20.364 8.768 ( -11.143 -0.957 -9.660) 14.778 9.452 ( 0.678 -7.920 -17.378) 19.110 14.244 ( -1.183 0.039 0.240) 1.208 15.014 ( 2.081 -7.503 -25.903) 27.047 16.396 ( 1.061 -0.565 -0.282) 1.235 16.416 ( 0.143 -1.260 -0.393) 1.328 17.650 ( -1.850 9.325 23.866) 25.690 17.902 ( -0.167 2.259 4.358) 4.911 ======================= Grid point 341 (188/226) ======================= q-point: (-0.18 -0.27 0.18) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 2.706 -8.778 4.726) 10.330 1.603 ( 3.229 -17.390 13.236) 22.091 1.913 ( -1.127 -8.973 -2.914) 9.502 2.435 ( 2.610 -8.757 -4.354) 10.122 2.730 ( -1.827 -3.028 -5.429) 6.479 2.906 ( 3.995 10.046 4.265) 11.622 4.043 ( 0.112 -2.444 6.118) 6.589 4.269 ( 0.854 -1.934 1.373) 2.521 4.651 ( -4.270 -2.930 8.848) 10.252 5.554 ( 5.021 -0.860 2.181) 5.541 5.791 ( 8.084 17.889 15.247) 24.857 5.915 ( 3.148 -6.098 11.298) 13.219 6.286 ( -1.107 6.679 6.530) 9.406 6.732 ( 5.056 7.914 10.621) 14.178 6.977 ( -5.424 -0.108 -3.374) 6.389 8.347 ( -16.885 -1.669 -20.733) 26.791 8.809 ( 5.724 -8.907 -5.907) 12.124 9.287 ( 0.962 -3.407 -16.097) 16.482 14.218 ( -1.724 -0.338 -0.241) 1.773 14.817 ( 0.495 -7.542 -21.026) 22.343 16.383 ( 0.386 -2.066 -0.918) 2.294 16.418 ( 0.046 -0.838 1.022) 1.322 17.870 ( 0.730 10.740 18.520) 21.421 17.947 ( -0.159 2.617 3.717) 4.548 ======================= Grid point 401 (189/226) ======================= q-point: ( 0.27 0.27 0.27) 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 2.98e-04 3.34e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -0.000 0.000 19.754) 19.754 1.305 ( -0.000 0.000 19.754) 19.754 1.603 ( -0.000 0.000 22.412) 22.412 2.303 ( -0.000 0.000 12.936) 12.936 2.303 ( -0.000 0.000 12.936) 12.936 3.096 ( 0.000 -0.000 -2.602) 2.602 4.192 ( -0.000 0.000 8.394) 8.394 4.192 ( -0.000 0.000 8.394) 8.394 4.643 ( -0.000 0.000 12.325) 12.325 5.691 ( -0.000 0.000 5.065) 5.065 5.691 ( -0.000 0.000 5.065) 5.065 6.455 ( 0.000 -0.000 -9.066) 9.066 6.919 ( 0.000 0.000 -0.629) 0.629 6.919 ( 0.000 -0.000 -0.629) 0.629 7.501 ( -0.000 0.000 3.886) 3.886 8.105 ( 0.000 -0.000 -12.865) 12.865 8.105 ( 0.000 -0.000 -12.865) 12.865 8.704 ( 0.000 -0.000 -4.292) 4.292 14.231 ( 0.000 0.000 -0.423) 0.423 14.231 ( 0.000 -0.000 -0.423) 0.423 16.370 ( -0.000 0.000 0.381) 0.381 16.370 ( 0.000 0.000 0.381) 0.381 18.050 ( -0.000 0.000 1.885) 1.885 18.543 ( 0.000 -0.000 -2.273) 2.273 ======================= Grid point 402 (190/226) ======================= q-point: ( 0.36 0.27 0.27) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -7.151 -4.875 21.844) 23.496 1.508 ( 6.307 0.884 16.097) 17.311 1.809 ( 3.356 5.345 17.276) 18.393 2.302 ( -2.166 -0.927 11.574) 11.812 2.479 ( 5.251 2.127 8.697) 10.380 3.077 ( 0.022 -0.377 -3.791) 3.810 4.152 ( -6.036 -2.739 8.175) 10.524 4.325 ( 5.129 2.135 7.665) 9.467 4.741 ( 1.531 1.851 11.056) 11.314 5.620 ( -5.375 -3.609 4.548) 7.912 5.768 ( 1.806 0.269 2.835) 3.372 6.358 ( -3.863 -1.460 -9.073) 9.969 6.800 ( -5.360 -3.835 -3.619) 7.519 7.016 ( 2.701 7.279 3.693) 8.598 7.450 ( 2.629 -18.071 1.138) 18.297 7.782 ( -22.443 15.306 -12.956) 30.097 8.300 ( 18.063 -6.471 -10.346) 21.799 8.781 ( 7.418 7.847 -0.666) 10.818 14.227 ( 1.968 -2.945 -0.380) 3.562 14.306 ( 4.406 6.181 0.299) 7.597 16.349 ( -1.143 -0.477 0.555) 1.358 16.402 ( 1.571 0.916 0.273) 1.839 18.047 ( -1.299 -0.696 1.239) 1.925 18.452 ( -6.464 -3.640 -2.646) 7.876 ======================= Grid point 403 (191/226) ======================= q-point: ( 0.45 0.27 0.27) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -2.005 -2.765 19.210) 19.511 1.687 ( 4.333 -1.813 11.967) 12.856 1.982 ( 1.440 6.178 11.343) 12.996 2.380 ( 2.987 2.014 10.078) 10.702 2.594 ( 2.559 0.650 2.345) 3.531 3.041 ( 0.149 -1.365 -4.932) 5.119 4.071 ( -6.883 -1.865 6.745) 9.816 4.466 ( 5.548 1.251 3.685) 6.777 4.831 ( 0.529 2.281 4.381) 4.967 5.543 ( -3.938 -2.216 4.385) 6.297 5.774 ( 0.549 -4.791 -0.806) 4.889 6.220 ( -5.220 -0.239 -7.236) 8.925 6.668 ( -4.770 -0.380 -7.122) 8.580 7.068 ( -4.721 0.588 -1.797) 5.086 7.372 ( -1.089 -6.095 -7.087) 9.411 7.549 ( -5.441 5.291 2.491) 7.988 8.423 ( 9.458 -3.156 -3.583) 10.595 9.023 ( 10.243 7.855 4.948) 13.824 14.230 ( 1.840 -2.558 -0.318) 3.166 14.462 ( 5.912 6.254 3.847) 9.427 16.337 ( -0.394 -0.151 0.638) 0.765 16.435 ( 1.257 0.769 0.379) 1.522 18.011 ( -2.359 -1.149 -0.582) 2.688 18.269 ( -8.272 -4.544 -5.041) 10.700 ======================= Grid point 404 (192/226) ======================= q-point: ( 0.55 0.27 0.27) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 5.687 2.956 9.602) 11.545 1.723 ( -3.478 -3.175 5.151) 6.979 2.142 ( 5.632 2.837 8.142) 10.299 2.529 ( 1.341 4.450 8.262) 9.479 2.592 ( 1.631 -2.943 -2.663) 4.291 2.996 ( -0.756 -0.824 -6.367) 6.464 4.000 ( -5.287 0.479 4.499) 6.959 4.541 ( 2.778 -1.897 -2.098) 3.965 4.846 ( -0.187 2.289 -5.362) 5.834 5.498 ( -3.329 -1.683 1.883) 4.179 5.703 ( 0.383 -8.123 -1.937) 8.360 6.121 ( -3.653 2.507 -4.909) 6.613 6.545 ( -6.216 3.159 -9.417) 11.718 6.948 ( 0.491 -11.591 -5.321) 12.763 7.104 ( -17.762 9.181 -14.905) 24.938 7.791 ( 16.489 -1.783 17.791) 24.322 8.516 ( 3.286 2.118 3.315) 5.126 9.261 ( 6.490 3.752 10.373) 12.798 14.235 ( 1.284 -1.561 -0.209) 2.032 14.641 ( 4.685 4.649 10.127) 12.088 16.342 ( 0.839 -0.167 0.455) 0.969 16.457 ( 0.419 0.198 0.780) 0.907 17.945 ( -3.095 -1.205 -4.078) 5.259 18.068 ( -6.395 -3.411 -8.660) 11.293 ======================= Grid point 405 (193/226) ======================= q-point: ( 0.64 0.27 0.27) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -4.256 -0.038 -5.640) 7.066 1.677 ( 9.014 6.572 4.212) 11.924 2.235 ( 0.207 -6.175 -0.687) 6.216 2.479 ( -0.450 -2.697 -0.188) 2.740 2.714 ( 3.435 3.198 7.668) 8.990 2.899 ( -5.059 0.266 -9.540) 10.801 3.984 ( -1.280 3.675 1.879) 4.322 4.471 ( -1.325 -8.660 -7.865) 11.773 4.831 ( 0.468 6.193 -12.045) 13.552 5.410 ( -3.398 -5.074 -1.002) 6.188 5.648 ( 1.541 -4.113 -3.347) 5.522 6.084 ( -1.054 2.883 -4.264) 5.254 6.401 ( -9.150 4.871 -11.302) 15.336 6.741 ( -3.161 -12.133 -12.180) 17.480 6.967 ( -3.897 7.939 -2.813) 9.280 8.157 ( 16.983 -3.445 19.426) 26.032 8.609 ( -0.758 6.660 7.318) 9.924 9.413 ( 0.479 -0.336 15.424) 15.435 14.239 ( 0.565 -0.396 -0.134) 0.703 14.812 ( 1.813 2.162 17.530) 17.756 16.363 ( 1.893 -0.598 0.146) 1.990 16.460 ( -0.642 -0.623 1.344) 1.614 17.820 ( -3.488 -0.567 -15.157) 15.564 17.941 ( -1.514 -0.850 -5.738) 5.995 ======================= Grid point 406 (194/226) ======================= q-point: (-0.27 0.27 0.27) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -9.408 -0.352 -6.615) 11.506 1.944 ( 4.088 2.204 -4.607) 6.542 2.028 ( -1.753 -5.513 -8.557) 10.329 2.505 ( 2.539 -4.827 3.741) 6.614 2.682 ( -7.041 2.862 -13.205) 15.236 2.857 ( -0.196 0.286 9.103) 9.109 4.045 ( 1.682 6.036 -0.477) 6.284 4.288 ( -1.338 -11.249 -9.391) 14.715 4.801 ( -2.096 6.669 -15.211) 16.740 5.337 ( 2.211 -2.857 -3.294) 4.890 5.616 ( 0.588 -1.413 -5.354) 5.568 6.046 ( -2.214 -0.701 -10.907) 11.152 6.229 ( -5.850 3.897 -8.359) 10.922 6.585 ( 0.810 -4.099 -7.724) 8.781 7.001 ( 0.154 5.058 1.211) 5.203 8.470 ( 14.669 -9.564 17.846) 25.003 8.700 ( -4.515 11.139 8.948) 14.984 9.467 ( -4.634 -3.212 18.561) 19.399 14.243 ( -0.114 0.576 -0.154) 0.607 14.946 ( -1.880 -1.281 23.730) 23.839 16.388 ( 1.950 -1.110 -0.082) 2.245 16.443 ( -1.535 -1.228 1.567) 2.514 17.688 ( 1.287 2.770 -22.397) 22.604 17.902 ( 0.584 0.431 -4.814) 4.868 ======================= Grid point 413 (195/226) ======================= q-point: ( 0.36 0.36 0.27) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -2.777 -7.140 17.029) 18.673 1.520 ( 0.481 0.842 18.542) 18.567 1.943 ( 2.403 8.064 15.495) 17.632 2.365 ( 0.108 -3.238 10.017) 10.528 2.528 ( -0.539 4.958 6.997) 8.593 3.047 ( -0.400 -1.383 -4.783) 4.995 4.258 ( 1.856 -1.914 8.569) 8.975 4.319 ( -2.034 -0.579 8.496) 8.755 4.781 ( 0.681 -3.272 9.831) 10.383 5.664 ( -0.319 -5.044 3.600) 6.205 5.756 ( -0.899 -1.413 2.054) 2.650 6.297 ( 0.738 -4.333 -9.196) 10.193 6.828 ( -2.948 -14.143 3.165) 14.789 6.897 ( 6.433 -0.474 -0.663) 6.484 7.301 ( -6.144 -23.534 -7.738) 25.524 7.967 ( 18.016 17.240 -0.418) 24.939 8.265 ( -18.525 19.002 -12.155) 29.189 8.752 ( 3.579 9.795 -2.679) 10.767 14.223 ( -2.468 0.116 -0.143) 2.475 14.331 ( 2.211 11.112 -0.567) 11.344 16.364 ( 0.274 -0.054 0.714) 0.766 16.392 ( -0.187 0.642 0.032) 0.669 18.052 ( 0.048 -2.306 1.283) 2.639 18.418 ( 0.053 -10.805 -2.066) 11.000 ======================= Grid point 414 (196/226) ======================= q-point: ( 0.45 0.36 0.27) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -3.721 -7.665 18.102) 20.007 1.692 ( 3.512 0.680 14.721) 15.149 2.117 ( -1.542 6.250 11.425) 13.114 2.413 ( 2.669 -0.118 7.940) 8.378 2.608 ( 0.068 4.266 3.363) 5.433 2.978 ( -0.019 -4.660 -6.207) 7.762 4.217 ( -7.670 -1.731 8.274) 11.414 4.409 ( 5.072 -1.439 5.072) 7.316 4.801 ( 2.607 -7.640 2.347) 8.407 5.603 ( -3.262 -5.037 4.793) 7.680 5.717 ( -1.048 -5.883 -0.600) 6.006 6.205 ( -0.740 -3.708 -6.844) 7.819 6.671 ( -2.988 -6.931 -2.521) 7.958 6.969 ( -1.618 -16.668 -8.088) 18.597 7.092 ( 16.239 -11.202 6.987) 20.928 7.965 ( -26.807 15.933 -12.569) 33.622 8.386 ( 10.029 21.527 3.450) 23.998 8.960 ( 9.164 11.697 -0.334) 14.864 14.203 ( -0.325 -0.145 0.392) 0.529 14.498 ( 3.808 14.371 0.581) 14.879 16.357 ( -1.356 0.378 0.915) 1.679 16.414 ( 1.901 0.405 -0.268) 1.962 18.021 ( -1.365 -3.280 0.260) 3.563 18.254 ( -3.852 -14.038 -2.830) 14.830 ======================= Grid point 415 (197/226) ======================= q-point: ( 0.55 0.36 0.27) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 0.736 -4.939 15.170) 15.970 1.798 ( -1.232 1.096 8.723) 8.878 2.152 ( -2.116 -1.264 7.595) 7.985 2.517 ( 2.938 -2.258 -1.847) 4.140 2.639 ( -1.604 7.174 4.389) 8.562 2.917 ( 2.679 -4.584 -5.170) 7.410 4.129 ( -7.092 -0.709 5.682) 9.115 4.456 ( 2.038 -5.157 -2.353) 6.024 4.762 ( 3.573 -7.599 -4.124) 9.355 5.515 ( -2.916 -9.746 2.372) 10.446 5.650 ( -1.359 -3.053 1.349) 3.604 6.132 ( -0.932 -1.328 -4.971) 5.229 6.569 ( -2.320 -0.957 -6.968) 7.406 6.770 ( 0.004 -12.809 -5.254) 13.845 7.321 ( 11.876 -5.663 2.283) 13.354 7.630 ( -15.379 5.087 -3.577) 16.589 8.708 ( -0.149 25.145 6.723) 26.028 9.213 ( 10.141 6.609 4.194) 12.810 14.209 ( 0.708 -0.343 0.819) 1.136 14.709 ( 3.992 14.244 4.680) 15.516 16.348 ( -0.872 0.315 0.942) 1.322 16.444 ( 1.555 0.125 -0.109) 1.564 17.953 ( -3.029 -3.888 -1.773) 5.238 18.029 ( -4.180 -13.167 -5.750) 14.964 ======================= Grid point 416 (198/226) ======================= q-point: ( 0.64 0.36 0.27) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 6.424 1.934 4.735) 8.211 1.763 ( -8.767 2.588 2.300) 9.426 2.141 ( 0.818 -9.393 -1.328) 9.522 2.406 ( -0.281 -8.994 -3.820) 9.775 2.790 ( 3.180 7.050 8.464) 11.466 2.884 ( -1.092 0.581 -7.173) 7.279 4.065 ( -4.044 1.773 1.940) 4.823 4.337 ( -1.118 -12.151 -9.067) 15.203 4.756 ( 3.974 -1.603 -5.414) 6.905 5.390 ( -2.444 -9.927 1.841) 10.388 5.618 ( -1.407 0.218 -1.465) 2.042 6.085 ( -0.880 0.322 -5.288) 5.371 6.477 ( -4.253 3.130 -10.806) 12.027 6.649 ( -1.973 -6.876 -2.851) 7.701 7.188 ( -16.335 13.317 -13.185) 24.860 7.760 ( 23.794 -20.754 19.054) 36.877 8.928 ( -6.230 24.735 7.360) 26.548 9.430 ( 7.137 0.831 9.495) 11.907 14.226 ( 0.893 -0.169 0.865) 1.254 14.929 ( 2.718 10.613 11.292) 15.733 16.348 ( -0.064 0.181 0.836) 0.858 16.461 ( 0.591 -0.524 0.501) 0.935 17.764 ( -4.954 -8.740 -11.755) 15.463 17.906 ( -0.717 -3.463 -3.200) 4.769 ======================= Grid point 417 (199/226) ======================= q-point: (-0.27 0.36 0.27) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -11.347 6.310 -5.887) 14.256 1.811 ( 12.912 5.274 -1.556) 14.034 1.906 ( -5.815 -14.792 -14.116) 21.258 2.401 ( 5.285 -8.938 5.472) 11.738 2.758 ( -6.680 0.852 -11.900) 13.673 2.943 ( -0.379 5.286 10.549) 11.805 4.070 ( 1.495 3.962 -2.295) 4.816 4.142 ( -2.126 -10.362 -8.133) 13.343 4.757 ( 1.548 -0.024 -8.061) 8.208 5.294 ( -1.581 -5.095 0.742) 5.386 5.599 ( -0.366 2.902 -3.959) 4.923 6.024 ( -2.925 1.165 -9.659) 10.159 6.334 ( -8.844 5.288 -12.026) 15.837 6.548 ( -2.853 -0.757 -3.056) 4.249 7.069 ( -4.021 6.881 -4.198) 9.008 8.075 ( 24.073 -21.076 19.966) 37.715 9.052 ( -8.729 19.147 5.875) 21.848 9.560 ( 1.645 -3.871 13.809) 14.435 14.242 ( 0.613 0.117 0.468) 0.780 15.109 ( -0.202 3.048 18.729) 18.977 16.359 ( 0.693 0.031 0.622) 0.932 16.458 ( -0.630 -1.144 1.118) 1.719 17.563 ( -1.322 -1.800 -19.085) 19.215 17.863 ( 0.497 -1.010 -3.578) 3.751 ======================= Grid point 424 (200/226) ======================= q-point: ( 0.36 0.45 0.27) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 4.711 -3.970 19.518) 20.467 1.716 ( -8.226 -0.582 13.192) 15.558 2.021 ( 4.640 3.134 10.105) 11.552 2.425 ( -2.148 1.824 8.597) 9.047 2.613 ( -0.365 3.769 2.659) 4.627 3.001 ( -0.738 -3.194 -6.274) 7.079 4.181 ( 7.826 -4.554 8.456) 12.389 4.448 ( -4.936 1.181 4.825) 7.002 4.783 ( -2.147 -8.557 4.673) 9.984 5.604 ( 3.640 -4.491 3.828) 6.933 5.785 ( -2.207 -1.439 -0.658) 2.716 6.162 ( 2.702 -6.598 -7.434) 10.300 6.611 ( 4.158 -16.504 -1.709) 17.105 6.912 ( -3.535 -7.141 -3.119) 8.556 7.169 ( -8.813 -18.170 -0.201) 20.195 7.848 ( 18.636 20.617 -3.080) 27.962 8.591 ( -1.871 25.502 -6.139) 26.297 8.883 ( -11.576 7.619 1.726) 13.965 14.252 ( -0.824 0.311 -0.733) 1.146 14.457 ( -2.900 14.392 1.034) 14.717 16.353 ( 1.073 0.329 0.888) 1.431 16.418 ( -1.712 0.554 0.126) 1.804 18.018 ( 1.511 -3.506 0.279) 3.828 18.252 ( 3.953 -14.220 -2.668) 14.998 ======================= Grid point 425 (201/226) ======================= q-point: ( 0.45 0.45 0.27) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -4.823 -9.208 13.540) 17.070 1.773 ( 1.719 1.356 17.526) 17.662 2.216 ( 5.498 4.302 7.298) 10.099 2.435 ( -2.856 0.141 6.166) 6.797 2.680 ( 0.458 6.559 1.960) 6.861 2.882 ( -1.332 -8.841 -7.574) 11.718 4.315 ( 5.811 -3.195 7.504) 10.014 4.391 ( -5.713 -1.636 5.739) 8.262 4.665 ( -0.010 -15.784 -0.133) 15.785 5.599 ( -1.116 -6.530 2.850) 7.212 5.710 ( -2.349 -4.479 0.489) 5.081 6.106 ( 2.462 -6.250 -4.222) 7.934 6.502 ( 5.638 -20.614 2.231) 21.487 6.856 ( 0.789 -13.049 -0.527) 13.083 6.912 ( -3.988 -0.191 -1.531) 4.276 8.304 ( 12.566 17.752 -7.630) 23.049 8.503 ( -16.757 17.510 -4.616) 24.672 9.008 ( 3.368 20.010 1.563) 20.352 14.227 ( -1.629 0.308 -0.012) 1.658 14.610 ( 1.381 19.899 -1.319) 19.991 16.384 ( 1.473 0.701 0.764) 1.801 16.396 ( -1.569 0.412 0.065) 1.623 17.995 ( 0.136 -4.764 0.246) 4.772 18.114 ( 0.096 -19.768 -0.693) 19.780 ======================= Grid point 426 (202/226) ======================= q-point: ( 0.55 0.45 0.27) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 0.124 -9.536 13.493) 16.524 1.900 ( -0.726 1.438 14.244) 14.335 2.258 ( -5.370 -2.135 0.565) 5.806 2.437 ( 0.161 -3.424 -0.930) 3.552 2.713 ( -0.159 -2.350 -1.140) 2.616 2.810 ( 3.621 2.810 -0.456) 4.606 4.284 ( -8.771 -1.595 7.221) 11.473 4.352 ( 0.162 -9.042 -4.989) 10.328 4.574 ( 6.907 -11.941 2.392) 14.000 5.485 ( -4.237 -9.500 1.655) 10.533 5.671 ( -0.908 -2.555 3.475) 4.407 6.074 ( 1.917 -3.759 -2.849) 5.092 6.458 ( 5.948 -11.304 -1.444) 12.855 6.697 ( -2.926 -8.550 1.422) 9.148 7.003 ( 12.270 -5.966 3.548) 14.098 8.081 ( -27.890 15.164 -13.690) 34.572 8.826 ( 16.839 15.611 2.002) 23.050 9.233 ( 0.784 18.620 1.579) 18.703 14.215 ( -0.542 0.362 0.715) 0.968 14.824 ( 2.961 20.498 -1.450) 20.762 16.380 ( -1.314 0.777 0.674) 1.668 16.417 ( 1.541 0.382 0.372) 1.630 17.900 ( -2.156 -20.587 -1.084) 20.728 17.944 ( -1.511 -5.061 0.068) 5.282 ======================= Grid point 427 (203/226) ======================= q-point: ( 0.64 0.45 0.27) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 4.352 -6.573 10.400) 13.050 1.948 ( -5.083 3.658 7.588) 9.839 2.058 ( -6.566 -12.293 -9.975) 17.139 2.326 ( -3.531 -7.445 -0.031) 8.240 2.739 ( 4.925 -4.479 0.916) 6.720 2.935 ( 2.444 11.369 0.179) 11.630 4.152 ( -5.484 -7.101 -2.043) 9.202 4.210 ( -3.050 -5.578 -2.657) 6.890 4.633 ( 6.136 -5.442 2.791) 8.663 5.359 ( -2.796 -7.372 2.035) 8.143 5.647 ( -2.080 -1.021 1.223) 2.620 6.056 ( 0.594 -0.863 -3.421) 3.578 6.440 ( 2.718 -3.347 -6.013) 7.399 6.634 ( -1.033 -2.814 2.686) 4.025 7.196 ( 16.383 -11.669 6.191) 21.045 7.708 ( -22.624 11.296 -8.959) 26.827 9.190 ( 8.660 13.537 4.540) 16.699 9.387 ( 1.183 10.453 1.540) 10.632 14.222 ( 0.316 0.024 1.164) 1.206 15.043 ( 3.378 16.089 0.863) 16.462 16.378 ( -1.294 1.571 1.705) 2.655 16.442 ( 1.270 -0.303 0.281) 1.335 17.664 ( -3.523 -16.892 -3.471) 17.601 17.878 ( -1.408 -3.436 -1.065) 3.863 ======================= Grid point 428 (204/226) ======================= q-point: ( 0.73 0.45 0.27) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 8.118 0.311 -0.289) 8.129 1.749 ( -6.716 -11.031 -10.460) 16.619 1.898 ( -10.555 5.821 -0.485) 12.064 2.272 ( 3.853 -9.571 7.183) 12.572 2.741 ( 0.381 -1.752 -6.167) 6.422 3.062 ( 0.272 7.401 3.834) 8.339 3.998 ( -1.509 -7.193 -5.113) 8.953 4.135 ( -2.504 1.533 -1.698) 3.392 4.675 ( 3.103 -4.253 0.379) 5.278 5.293 ( -1.531 -2.757 2.565) 4.065 5.617 ( -1.361 1.473 -1.175) 2.325 6.027 ( -1.472 2.050 -6.078) 6.581 6.396 ( -1.893 2.409 -9.710) 10.181 6.603 ( -3.984 -0.047 1.458) 4.243 7.206 ( -8.539 5.387 -11.833) 15.556 7.678 ( 16.170 -12.672 18.998) 27.982 9.347 ( -6.334 13.304 0.057) 14.735 9.518 ( 7.368 -2.653 7.167) 10.615 14.235 ( 0.598 -0.332 0.964) 1.182 15.213 ( 2.332 5.671 5.662) 8.346 16.385 ( -1.597 1.755 2.536) 3.473 16.455 ( 0.558 -0.708 0.583) 1.074 17.465 ( -2.359 -6.483 -8.803) 11.184 17.833 ( -0.285 -1.284 -1.535) 2.021 ======================= Grid point 435 (205/226) ======================= q-point: ( 0.36 0.55 0.27) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 3.571 -2.482 15.726) 16.316 1.846 ( 3.982 -0.537 7.851) 8.820 2.051 ( -6.932 -2.042 4.227) 8.372 2.542 ( -1.442 2.174 4.371) 5.091 2.648 ( 0.734 6.429 1.566) 6.658 2.931 ( -0.657 -5.823 -7.536) 9.546 4.063 ( 6.763 -5.414 7.029) 11.156 4.513 ( -2.640 -2.018 -2.750) 4.313 4.753 ( -1.907 -7.098 -1.982) 7.612 5.523 ( 3.695 -5.398 2.171) 6.892 5.770 ( 0.475 -1.359 -4.031) 4.280 6.037 ( 0.647 -5.772 -2.827) 6.460 6.432 ( 0.448 -11.772 -2.590) 12.062 6.839 ( -1.771 -7.597 -5.627) 9.618 7.172 ( 2.584 -3.741 1.935) 4.941 7.770 ( 0.914 6.039 -1.694) 6.339 8.764 ( 7.109 26.499 3.010) 27.601 9.187 ( -13.796 5.512 4.870) 15.634 14.253 ( 0.346 0.663 -1.041) 1.282 14.669 ( -4.727 13.252 5.665) 15.167 16.356 ( 0.158 1.222 0.984) 1.577 16.448 ( -1.355 0.343 0.141) 1.404 17.941 ( 3.488 -5.237 -2.106) 6.635 18.028 ( 3.973 -12.784 -5.027) 14.300 ======================= Grid point 436 (206/226) ======================= q-point: ( 0.45 0.55 0.27) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( -3.198 -6.769 12.076) 14.208 1.848 ( -0.723 -3.962 14.461) 15.011 2.115 ( 9.813 -1.598 -0.646) 9.964 2.546 ( -2.699 1.987 0.987) 3.493 2.734 ( 0.754 5.977 1.685) 6.256 2.786 ( -3.168 -7.668 -5.378) 9.887 4.190 ( 9.485 -6.124 8.449) 14.101 4.395 ( -1.269 -10.142 -6.591) 12.162 4.635 ( -6.412 -5.692 4.241) 9.565 5.551 ( 4.474 -5.444 1.791) 7.270 5.682 ( -2.875 -7.154 -1.523) 7.859 6.004 ( 1.239 -5.000 0.447) 5.171 6.318 ( -0.532 -12.816 4.973) 13.757 6.754 ( -0.028 -5.914 -3.087) 6.671 7.027 ( -10.554 -5.778 5.749) 13.334 8.060 ( 23.654 14.655 -12.951) 30.692 8.928 ( -19.282 12.885 -4.232) 23.574 9.178 ( 3.098 21.130 4.870) 21.904 14.246 ( -0.729 0.147 -0.737) 1.047 14.795 ( -1.635 20.571 -0.422) 20.641 16.375 ( 0.284 0.680 0.295) 0.794 16.431 ( -1.254 0.955 0.394) 1.625 17.898 ( 3.036 -20.896 -0.164) 21.116 17.938 ( 1.205 -5.024 -0.249) 5.172 ======================= Grid point 437 (207/226) ======================= q-point: ( 0.55 0.55 0.27) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -5.047 -8.994 9.545) 14.052 1.966 ( 4.200 -3.801 14.565) 15.627 2.146 ( 3.643 -11.036 -10.523) 15.678 2.517 ( -3.939 3.406 0.045) 5.208 2.652 ( -2.068 -9.060 6.326) 11.242 2.830 ( 2.197 9.709 -2.959) 10.385 4.224 ( -1.204 -11.535 -7.509) 13.817 4.339 ( 8.882 -6.268 7.558) 13.240 4.509 ( -8.739 -4.296 9.614) 13.684 5.512 ( -6.436 -6.997 3.332) 10.074 5.623 ( 5.472 -5.469 0.716) 7.769 5.988 ( 2.165 -4.839 1.723) 5.574 6.267 ( 3.235 -10.884 6.043) 12.863 6.657 ( -1.498 -10.643 4.164) 11.526 6.934 ( -1.761 3.280 -2.153) 4.301 8.447 ( 5.861 14.732 -14.510) 21.492 8.685 ( -6.429 8.573 -4.222) 11.517 9.430 ( 0.747 20.082 0.740) 20.109 14.233 ( -0.785 0.312 -0.000) 0.845 14.965 ( 0.742 21.815 -6.194) 22.689 16.378 ( 0.598 -0.131 -1.037) 1.205 16.439 ( -0.670 1.860 1.747) 2.639 17.727 ( -0.239 -22.604 4.278) 23.006 17.910 ( 0.280 -5.070 1.067) 5.189 ======================= Grid point 438 (208/226) ======================= q-point: ( 0.64 0.55 0.27) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 1.877 -8.171 9.734) 12.847 1.919 ( -1.984 -12.299 -13.334) 18.248 2.075 ( -1.107 -4.459 13.594) 14.349 2.437 ( -10.221 1.955 1.358) 10.495 2.638 ( 3.029 -6.594 5.917) 9.363 2.954 ( 5.257 9.495 -5.392) 12.119 4.066 ( -1.797 -8.404 -5.436) 10.169 4.342 ( -9.312 -1.266 6.653) 11.514 4.504 ( 6.788 -7.261 9.203) 13.546 5.377 ( -4.628 -5.221 2.698) 7.480 5.657 ( 1.276 -2.183 1.881) 3.152 6.010 ( 2.739 -1.636 0.785) 3.286 6.279 ( 6.166 -9.584 2.663) 11.704 6.619 ( 2.187 -6.763 7.876) 10.609 6.967 ( 5.195 -0.662 -0.140) 5.239 8.172 ( -27.683 13.778 -14.190) 34.023 8.987 ( 21.689 5.173 -2.958) 22.492 9.560 ( -3.004 13.925 -3.295) 14.621 14.228 ( -0.272 0.059 0.720) 0.772 15.119 ( 2.381 16.565 -9.988) 19.489 16.394 ( 1.735 1.099 -0.646) 2.153 16.453 ( -1.092 1.371 1.924) 2.602 17.552 ( -2.220 -18.657 7.348) 20.174 17.869 ( -1.209 -3.448 1.178) 3.839 ======================= Grid point 439 (209/226) ======================= q-point: (-0.27 -0.45 -0.73) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 5.981 -4.834 8.115) 11.180 1.709 ( -5.697 -3.699 -7.948) 10.455 2.087 ( -2.450 -3.333 11.664) 12.376 2.285 ( -10.074 0.948 1.084) 10.177 2.663 ( 3.154 -3.760 0.085) 4.908 3.073 ( 4.970 4.511 -5.258) 8.526 3.964 ( -1.594 -1.943 -2.063) 3.252 4.223 ( -8.268 -0.160 3.675) 9.050 4.588 ( 4.678 -6.061 6.467) 10.022 5.322 ( -1.296 -0.397 3.503) 3.756 5.653 ( -1.650 0.564 1.472) 2.282 6.033 ( 0.060 2.450 -2.188) 3.285 6.308 ( 5.733 -5.544 -2.588) 8.385 6.659 ( -0.103 -1.163 5.895) 6.010 7.089 ( 11.818 -7.438 4.800) 14.765 7.799 ( -21.418 10.602 -8.756) 25.452 9.305 ( 15.845 -0.646 0.975) 15.888 9.549 ( -5.604 6.230 -7.481) 11.233 14.231 ( 0.131 -0.556 0.929) 1.091 15.205 ( 3.305 5.495 -9.517) 11.475 16.435 ( 1.703 1.317 -0.251) 2.168 16.451 ( -1.770 0.733 1.854) 2.666 17.431 ( -2.866 -7.460 6.902) 10.560 17.834 ( -1.269 -0.908 0.858) 1.780 ======================= Grid point 446 (210/226) ======================= q-point: ( 0.36 0.64 0.27) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -1.469 1.116 1.285) 2.248 1.726 ( 8.475 -3.235 3.723) 9.805 2.212 ( -9.225 -2.025 0.435) 9.455 2.488 ( 3.622 -3.904 -3.743) 6.509 2.737 ( 0.872 -0.175 -1.569) 1.804 2.855 ( -0.546 2.198 0.656) 2.358 3.977 ( 2.674 -3.754 4.266) 6.280 4.477 ( -2.624 -6.768 -7.280) 10.281 4.676 ( 2.209 -2.651 -8.514) 9.187 5.424 ( 2.114 -5.188 -2.040) 5.962 5.711 ( 2.229 0.203 -4.464) 4.994 6.010 ( -1.876 -1.894 0.376) 2.693 6.321 ( 3.346 -5.205 -2.513) 6.679 6.771 ( 0.218 -4.160 -6.896) 8.057 7.021 ( 12.606 7.481 -5.385) 15.616 7.936 ( -19.798 -12.307 9.963) 25.351 8.897 ( 9.537 24.869 6.381) 27.388 9.439 ( -7.883 1.625 9.656) 12.571 14.244 ( 0.440 0.193 -0.908) 1.028 14.901 ( -3.779 9.434 12.684) 16.254 16.381 ( -0.349 2.467 0.721) 2.594 16.467 ( -0.624 -0.124 0.396) 0.750 17.736 ( 5.155 -10.209 -11.537) 16.245 17.908 ( 0.799 -3.799 -2.992) 4.901 ======================= Grid point 447 (211/226) ======================= q-point: ( 0.45 0.64 0.27) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 4.009 -2.964 6.462) 8.162 1.855 ( 8.884 -8.064 5.172) 13.065 2.002 ( -9.729 -4.990 -0.788) 10.962 2.467 ( 5.253 -5.950 -10.412) 13.092 2.712 ( 0.742 -4.228 2.246) 4.844 2.907 ( -4.737 10.889 3.088) 12.270 4.042 ( 6.890 -6.142 6.161) 11.097 4.282 ( -2.969 -10.658 -6.691) 12.929 4.678 ( 0.667 0.125 -1.437) 1.590 5.405 ( 4.370 -5.627 -2.541) 7.565 5.666 ( -1.891 -4.276 -1.300) 4.853 5.987 ( -1.250 -2.119 3.694) 4.439 6.317 ( -1.851 -3.682 6.408) 7.619 6.699 ( -0.809 -3.095 -3.990) 5.114 7.165 ( -4.329 -4.384 7.960) 10.066 7.762 ( 10.947 5.164 -12.710) 17.552 9.238 ( -2.417 16.484 -0.752) 16.677 9.350 ( -5.768 8.170 5.483) 11.405 14.245 ( 0.223 0.132 -1.125) 1.155 15.013 ( -3.268 15.539 3.616) 16.285 16.395 ( -1.286 1.565 0.072) 2.027 16.452 ( -0.497 0.454 -0.443) 0.806 17.651 ( 5.071 -16.713 -2.243) 17.609 17.874 ( 1.066 -3.887 -0.647) 4.083 ======================= Grid point 448 (212/226) ======================= q-point: ( 0.55 0.64 0.27) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -7.154 -5.035 5.175) 10.164 1.866 ( 2.043 -7.316 -7.232) 10.488 1.941 ( 8.307 -12.284 12.875) 19.638 2.474 ( 6.723 -0.281 -6.826) 9.585 2.708 ( -2.314 -4.487 10.042) 11.240 2.918 ( -5.078 10.245 -4.207) 12.184 4.107 ( 1.070 -8.267 -1.487) 8.468 4.181 ( 6.854 -6.739 5.907) 11.282 4.660 ( -4.494 0.052 5.180) 6.858 5.434 ( 7.752 -7.092 -2.176) 10.730 5.576 ( -4.632 -3.920 2.807) 6.687 5.971 ( -1.323 -3.278 6.030) 6.989 6.270 ( -5.113 -4.972 10.456) 12.656 6.621 ( -1.996 -6.777 0.772) 7.107 7.029 ( -8.053 -1.267 4.015) 9.087 8.107 ( 27.836 12.069 -17.615) 35.083 9.037 ( -21.315 6.071 -4.118) 22.542 9.544 ( 4.021 13.885 -2.839) 14.731 14.241 ( -0.160 0.331 -0.696) 0.787 15.109 ( -1.909 16.490 -7.798) 18.340 16.371 ( -0.932 -0.113 -1.330) 1.628 16.464 ( 0.380 1.291 0.266) 1.372 17.567 ( 1.901 -17.627 8.573) 19.693 17.864 ( 1.357 -3.363 1.363) 3.874 ======================= Grid point 449 (213/226) ======================= q-point: (-0.36 -0.36 -0.73) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -5.036 -5.883 8.569) 11.549 1.789 ( 0.674 -0.810 -8.133) 8.201 2.058 ( 6.257 -10.869 16.072) 20.386 2.543 ( 3.172 2.255 -4.109) 5.659 2.651 ( -6.865 -6.857 11.792) 15.271 2.916 ( 0.985 6.757 -8.904) 11.221 4.021 ( -2.290 -2.698 -2.093) 4.112 4.313 ( 9.670 -7.757 8.664) 15.124 4.601 ( -9.463 -0.039 11.753) 15.089 5.407 ( -1.738 -6.979 0.482) 7.208 5.574 ( 5.262 -2.050 3.507) 6.647 5.975 ( 0.699 -2.823 7.099) 7.672 6.211 ( -3.071 -6.428 8.596) 11.164 6.568 ( 1.429 -6.142 6.068) 8.751 6.968 ( -2.697 3.345 -2.162) 4.810 8.498 ( 10.169 12.118 -16.576) 22.913 8.735 ( -8.571 4.442 -6.054) 11.395 9.640 ( 0.541 6.936 -8.779) 11.201 14.238 ( -0.354 0.243 0.045) 0.431 15.143 ( -0.062 11.271 -17.370) 20.707 16.371 ( 1.443 0.731 -0.597) 1.724 16.477 ( 0.144 0.404 -0.316) 0.533 17.510 ( -1.323 -12.518 16.627) 20.855 17.865 ( 0.128 -2.282 2.997) 3.769 ======================= Grid point 450 (214/226) ======================= q-point: (-0.27 -0.36 0.27) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 2.479 -8.256 10.005) 13.207 1.785 ( -3.814 10.911 -2.561) 11.839 2.107 ( 0.730 -12.386 15.093) 19.538 2.494 ( -9.302 4.640 -2.224) 10.630 2.602 ( 1.220 -5.771 7.880) 9.843 2.954 ( 5.585 1.218 -9.817) 11.360 3.974 ( -1.447 1.819 -1.233) 2.631 4.389 ( -2.040 -4.064 6.693) 8.092 4.550 ( -3.920 -1.547 14.514) 15.113 5.356 ( -0.353 -0.817 3.229) 3.349 5.664 ( 3.781 -0.609 3.681) 5.312 6.029 ( 2.799 0.591 3.183) 4.280 6.172 ( 0.831 -7.039 5.527) 8.987 6.638 ( 5.705 -4.050 10.729) 12.809 6.962 ( 1.285 0.974 -1.588) 2.263 8.224 ( -26.351 11.085 -14.455) 32.034 8.985 ( 22.225 1.045 -5.810) 22.996 9.579 ( -2.933 -0.248 -13.988) 14.294 14.233 ( -0.410 -0.381 0.522) 0.765 15.103 ( 2.235 2.637 -20.106) 20.401 16.411 ( 2.215 1.132 -0.138) 2.491 16.470 ( -0.181 -0.772 -1.288) 1.513 17.515 ( -3.068 -3.059 19.503) 19.979 17.863 ( -1.251 -0.252 3.321) 3.557 ======================= Grid point 534 (215/226) ======================= q-point: ( 0.36 0.36 0.36) 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 2.98e-04 3.34e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -0.000 0.000 13.913) 13.913 1.623 ( -0.000 0.000 13.913) 13.913 1.961 ( -0.000 0.000 15.732) 15.732 2.490 ( -0.000 0.000 7.001) 7.001 2.490 ( -0.000 0.000 7.001) 7.001 3.035 ( 0.000 -0.000 -3.663) 3.663 4.357 ( -0.000 0.000 8.683) 8.683 4.357 ( -0.000 0.000 8.683) 8.683 4.881 ( -0.000 0.000 12.492) 12.492 5.754 ( -0.000 0.000 1.504) 1.504 5.754 ( -0.000 0.000 1.504) 1.504 6.275 ( 0.000 -0.000 -9.789) 9.789 6.952 ( -0.000 0.000 4.313) 4.313 6.952 ( -0.000 0.000 4.313) 4.313 7.570 ( -0.000 0.000 3.357) 3.357 7.852 ( 0.000 -0.000 -13.743) 13.743 7.852 ( 0.000 -0.000 -13.743) 13.743 8.629 ( 0.000 -0.000 -3.478) 3.478 14.224 ( 0.000 -0.000 -0.321) 0.321 14.224 ( 0.000 -0.000 -0.321) 0.321 16.377 ( -0.000 0.000 0.278) 0.278 16.377 ( 0.000 0.000 0.278) 0.278 18.084 ( -0.000 0.000 1.627) 1.627 18.503 ( 0.000 -0.000 -1.965) 1.965 ======================= Grid point 535 (216/226) ======================= q-point: ( 0.45 0.36 0.36) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -3.324 -3.702 14.714) 15.532 1.760 ( 4.328 1.561 10.458) 11.425 2.074 ( -0.054 3.027 10.873) 11.287 2.481 ( -1.437 -0.724 7.471) 7.642 2.578 ( 2.063 0.806 2.173) 3.103 2.998 ( -0.882 -0.978 -4.308) 4.504 4.319 ( -6.730 -2.975 9.156) 11.746 4.453 ( 2.603 0.481 5.411) 6.024 4.916 ( -3.063 -1.679 6.820) 7.663 5.695 ( -4.023 -1.967 3.509) 5.689 5.780 ( 0.574 -1.179 -1.168) 1.756 6.192 ( -2.632 -0.551 -8.158) 8.590 6.767 ( -10.697 -6.712 0.625) 12.644 7.083 ( -1.126 5.162 1.218) 5.422 7.428 ( 0.521 -19.082 -3.574) 19.421 7.603 ( -13.275 13.794 -3.987) 19.555 8.151 ( 19.891 2.411 -5.452) 20.765 8.750 ( 11.791 8.936 -2.247) 14.964 14.223 ( 1.295 -1.845 -0.140) 2.258 14.310 ( 6.468 6.220 0.158) 8.975 16.361 ( -0.904 -0.317 0.776) 1.233 16.402 ( 1.580 0.703 -0.256) 1.748 18.068 ( -2.302 -1.279 0.933) 2.793 18.407 ( -7.449 -4.281 -2.036) 8.829 ======================= Grid point 536 (217/226) ======================= q-point: ( 0.55 0.36 0.36) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -4.443 -3.918 12.590) 13.914 1.878 ( 1.887 -3.594 9.262) 10.113 2.141 ( -1.799 6.241 5.543) 8.538 2.543 ( 3.601 1.065 7.057) 7.994 2.584 ( -1.175 -1.092 -2.451) 2.930 2.942 ( -1.059 -1.313 -5.674) 5.919 4.216 ( -8.948 -3.590 8.598) 12.918 4.502 ( 1.425 -0.815 -0.124) 1.646 4.834 ( -5.023 -3.020 -3.946) 7.066 5.639 ( -5.433 -1.338 4.965) 7.481 5.738 ( -0.549 -5.015 -2.705) 5.724 6.098 ( -3.430 0.706 -5.191) 6.262 6.559 ( -8.383 -2.915 -3.992) 9.732 6.985 ( -3.383 -5.696 -5.548) 8.641 7.164 ( -15.584 -1.401 -12.122) 19.793 7.757 ( 12.827 4.031 15.551) 20.558 8.410 ( 11.141 3.764 1.470) 11.851 9.069 ( 16.003 10.430 0.274) 19.103 14.227 ( 1.005 -1.100 -0.074) 1.492 14.526 ( 10.962 7.910 3.054) 13.859 16.354 ( -0.433 -0.275 1.124) 1.236 16.433 ( 1.696 0.789 -0.592) 1.962 18.002 ( -4.231 -2.234 -0.380) 4.800 18.184 ( -11.499 -6.610 -3.971) 13.845 ======================= Grid point 537 (218/226) ======================= q-point: ( 0.64 0.36 0.36) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -5.478 -1.445 2.000) 6.008 1.841 ( -6.876 -6.198 11.144) 14.487 2.210 ( 1.626 1.501 -3.269) 3.948 2.510 ( -1.194 -3.204 -1.624) 3.785 2.694 ( 5.473 4.476 6.095) 9.335 2.857 ( -2.948 -1.060 -7.918) 8.516 4.097 ( -7.863 -2.274 5.958) 10.124 4.467 ( -0.422 -5.809 -5.661) 8.123 4.695 ( -4.678 1.198 -9.861) 10.980 5.540 ( -8.047 -0.997 1.471) 8.241 5.652 ( -0.528 -6.964 -3.185) 7.676 6.038 ( -2.065 0.822 -3.682) 4.301 6.391 ( -7.042 -1.334 -7.117) 10.101 6.799 ( -7.157 -12.863 -10.219) 17.920 6.933 ( -5.148 7.515 -2.847) 9.543 8.134 ( 15.899 2.733 18.334) 24.421 8.598 ( 4.826 5.847 4.931) 9.043 9.399 ( 12.802 7.263 4.393) 15.361 14.233 ( 0.525 -0.239 -0.026) 0.578 14.821 ( 12.143 7.747 8.956) 16.961 16.357 ( 0.431 -0.497 1.055) 1.243 16.460 ( 1.268 0.667 -0.489) 1.514 17.839 ( -12.219 -6.168 -6.943) 15.348 17.951 ( -4.963 -3.177 -3.649) 6.931 ======================= Grid point 546 (219/226) ======================= q-point: ( 0.45 0.45 0.36) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -2.448 -5.126 9.439) 11.017 1.796 ( 0.812 3.832 10.239) 10.962 2.161 ( 2.035 4.458 7.310) 8.801 2.507 ( -0.066 -2.694 5.402) 6.037 2.606 ( -0.231 3.435 1.336) 3.693 2.960 ( -0.330 -3.753 -3.752) 5.318 4.413 ( 1.965 -2.469 7.258) 7.914 4.454 ( -1.962 -1.257 4.798) 5.333 4.926 ( -0.193 -10.304 5.320) 11.598 5.711 ( 0.492 -3.811 1.647) 4.181 5.766 ( -1.201 -1.241 -0.194) 1.738 6.145 ( 0.663 -2.176 -6.538) 6.922 6.877 ( -8.469 -14.861 1.086) 17.139 6.932 ( 13.140 -7.582 3.005) 15.466 7.198 ( -5.310 -20.977 -0.299) 21.641 7.927 ( 14.906 17.043 -8.824) 24.301 8.074 ( -15.617 25.160 -3.669) 29.839 8.713 ( 1.670 12.116 -1.196) 12.289 14.222 ( -1.508 0.196 -0.039) 1.522 14.321 ( 1.458 10.780 -0.492) 10.890 16.378 ( 0.686 0.421 0.763) 1.109 16.388 ( -0.701 0.354 -0.367) 0.867 18.072 ( 0.033 -3.045 0.793) 3.147 18.387 ( 0.008 -10.425 -1.086) 10.481 ======================= Grid point 547 (220/226) ======================= q-point: ( 0.55 0.45 0.36) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -0.465 -6.728 9.810) 11.904 1.894 ( -0.518 3.549 6.496) 7.420 2.245 ( -0.627 3.896 0.646) 3.999 2.517 ( 0.556 -3.518 3.920) 5.297 2.626 ( -0.867 4.199 -0.473) 4.314 2.890 ( -0.296 -5.332 -2.603) 5.941 4.374 ( -7.358 -2.740 7.438) 10.816 4.457 ( 0.911 -4.400 -0.875) 4.578 4.804 ( -2.249 -12.135 -0.428) 12.349 5.665 ( -1.603 -7.759 1.114) 8.000 5.732 ( -2.111 -1.492 2.334) 3.483 6.094 ( -0.621 -1.324 -4.509) 4.741 6.629 ( -7.471 -10.039 -1.898) 12.657 6.847 ( -3.528 -11.642 -3.985) 12.801 7.237 ( 13.766 -9.626 6.279) 17.933 7.763 ( -17.295 9.651 -7.447) 21.160 8.460 ( 12.333 24.965 3.813) 28.105 8.935 ( 10.206 14.042 -1.877) 17.461 14.216 ( 0.038 0.078 0.895) 0.899 14.497 ( 6.604 14.217 -0.631) 15.688 16.374 ( -1.018 0.347 0.561) 1.213 16.408 ( 1.619 0.667 -0.181) 1.760 18.024 ( -2.190 -4.019 0.087) 4.578 18.216 ( -6.441 -13.844 -1.110) 15.310 ======================= Grid point 548 (221/226) ======================= q-point: ( 0.64 0.45 0.36) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -4.104 -3.259 4.685) 7.029 1.918 ( -2.378 -1.180 5.722) 6.308 2.187 ( -3.815 -5.808 -7.155) 9.975 2.477 ( -1.428 -5.597 3.614) 6.813 2.721 ( 4.425 8.628 2.721) 10.071 2.820 ( -1.290 -3.017 -5.239) 6.182 4.253 ( -9.828 -3.559 7.563) 12.902 4.352 ( -0.830 -11.113 -8.098) 13.776 4.697 ( -1.250 -2.237 -2.814) 3.806 5.552 ( -1.873 -11.067 1.312) 11.301 5.674 ( -5.400 -0.738 0.531) 5.475 6.044 ( -1.583 -0.620 -3.935) 4.286 6.435 ( -6.423 -3.135 -7.082) 10.061 6.720 ( -1.211 -6.823 -0.027) 6.930 7.186 ( -15.286 9.179 -10.621) 20.753 7.792 ( 19.202 -14.332 14.603) 28.060 8.831 ( 0.688 26.018 6.084) 26.729 9.239 ( 15.996 8.485 -1.259) 18.151 14.228 ( 0.409 0.152 1.093) 1.177 14.772 ( 10.962 14.088 2.160) 17.981 16.368 ( -0.689 0.401 0.965) 1.252 16.438 ( 1.577 0.700 -0.414) 1.774 17.919 ( -10.598 -10.102 -1.929) 14.768 17.952 ( -3.950 -7.987 -2.187) 9.175 ======================= Grid point 557 (222/226) ======================= q-point: ( 0.45 0.55 0.36) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 2.106 -3.070 6.055) 7.108 1.911 ( -4.844 2.245 5.788) 7.875 2.161 ( 5.309 -0.736 6.439) 8.378 2.539 ( -2.014 -0.368 3.056) 3.678 2.628 ( 1.149 3.714 -0.758) 3.961 2.898 ( 0.213 -5.127 -3.662) 6.304 4.344 ( 7.264 -4.883 8.221) 12.008 4.483 ( -1.074 -2.907 -1.637) 3.505 4.815 ( 2.426 -11.259 -0.712) 11.540 5.663 ( 2.958 -5.138 1.696) 6.167 5.758 ( -0.016 -2.083 -1.044) 2.330 6.070 ( 1.561 -2.909 -2.160) 3.945 6.602 ( 8.518 -14.266 0.735) 16.631 6.840 ( 0.090 -9.635 -2.917) 10.067 7.243 ( -7.270 -8.906 4.992) 12.533 7.751 ( 11.629 10.194 -5.225) 16.323 8.518 ( -10.314 26.463 -2.693) 28.529 8.905 ( -10.531 12.554 1.137) 16.426 14.235 ( -0.251 0.435 -1.061) 1.173 14.479 ( -6.390 13.894 1.183) 15.339 16.370 ( 0.643 0.216 0.781) 1.034 16.413 ( -1.380 0.947 -0.521) 1.752 18.023 ( 2.308 -4.115 0.223) 4.723 18.216 ( 6.433 -13.882 -1.066) 15.337 ======================= Grid point 558 (223/226) ======================= q-point: ( 0.55 0.55 0.36) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -2.425 -7.789 4.960) 9.548 1.985 ( 2.556 5.586 2.840) 6.768 2.221 ( 0.441 -1.973 -4.573) 5.000 2.525 ( -0.717 -1.975 3.568) 4.141 2.650 ( 0.008 4.022 -4.479) 6.020 2.845 ( -0.037 -5.514 3.559) 6.562 4.368 ( -0.603 -8.544 -5.983) 10.448 4.453 ( 1.629 -2.406 4.701) 5.526 4.722 ( -1.243 -12.570 6.407) 14.163 5.657 ( -2.994 -5.751 3.170) 7.217 5.717 ( 2.166 -4.243 -0.407) 4.781 6.054 ( 0.612 -2.519 -0.730) 2.693 6.523 ( 1.219 -14.789 0.485) 14.847 6.901 ( 9.794 -3.952 3.206) 11.037 6.960 ( -11.135 -13.723 8.398) 19.566 8.062 ( 2.675 16.335 -16.074) 23.073 8.450 ( -2.676 15.388 -2.346) 15.794 9.047 ( 0.571 21.848 2.164) 21.962 14.226 ( -0.353 0.325 -0.017) 0.480 14.576 ( 0.326 17.554 -2.274) 17.703 16.375 ( 0.238 -0.303 -1.059) 1.127 16.415 ( -0.232 1.720 1.237) 2.132 17.998 ( -0.053 -5.570 0.086) 5.571 18.127 ( 0.057 -17.004 2.002) 17.121 ======================= Grid point 559 (224/226) ======================= q-point: (-0.36 -0.45 -0.64) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 1.877 -8.436 3.230) 9.226 2.036 ( -0.584 -0.417 -6.938) 6.975 2.086 ( -6.035 -3.641 -5.543) 8.967 2.508 ( -2.153 -3.893 5.946) 7.426 2.708 ( 4.407 5.197 -2.144) 7.143 2.821 ( -1.760 -1.482 2.952) 3.742 4.209 ( -1.191 -11.288 -8.462) 14.158 4.421 ( -7.943 -2.395 6.774) 10.711 4.669 ( 0.619 -6.021 6.012) 8.531 5.525 ( -4.956 -8.694 2.020) 10.210 5.716 ( -0.630 -2.612 1.642) 3.149 6.032 ( -0.513 -1.492 -1.380) 2.096 6.422 ( -1.531 -7.262 -1.335) 7.541 6.749 ( -6.627 -3.133 3.873) 8.290 7.116 ( 16.509 -11.386 6.821) 21.183 7.850 ( -21.269 11.754 -9.882) 26.233 8.821 ( 23.741 11.601 -2.299) 26.524 9.240 ( -1.039 18.987 -1.008) 19.042 14.232 ( 0.255 0.154 1.101) 1.140 14.766 ( 6.370 16.618 -4.426) 18.339 16.375 ( 0.710 0.396 -0.921) 1.228 16.437 ( -0.059 1.481 1.189) 1.901 17.905 ( -3.751 -14.112 1.455) 14.675 17.962 ( -4.734 -7.907 2.066) 9.444 ======================= Grid point 668 (225/226) ======================= q-point: ( 0.45 0.45 0.45) 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 2.98e-04 3.34e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( -0.000 0.000 5.195) 5.195 1.805 ( -0.000 0.000 5.195) 5.195 2.172 ( -0.000 0.000 6.162) 6.162 2.570 ( -0.000 0.000 1.869) 1.869 2.570 ( -0.000 0.000 1.869) 1.869 2.975 ( 0.000 -0.000 -2.137) 2.137 4.484 ( -0.000 0.000 4.037) 4.037 4.484 ( -0.000 0.000 4.037) 4.037 5.068 ( -0.000 0.000 6.134) 6.134 5.757 ( 0.000 -0.000 -0.467) 0.467 5.757 ( 0.000 -0.000 -0.467) 0.467 6.124 ( 0.000 -0.000 -5.085) 5.085 7.056 ( -0.000 0.000 5.065) 5.065 7.056 ( -0.000 0.000 5.065) 5.065 7.617 ( -0.000 0.000 1.366) 1.366 7.631 ( 0.000 -0.000 -8.138) 8.138 7.631 ( 0.000 -0.000 -8.138) 8.138 8.582 ( 0.000 -0.000 -1.369) 1.369 14.220 ( 0.000 0.000 -0.119) 0.119 14.220 ( 0.000 -0.000 -0.119) 0.119 16.380 ( -0.000 0.000 0.101) 0.101 16.380 ( -0.000 0.000 0.101) 0.101 18.106 ( -0.000 0.000 0.674) 0.674 18.476 ( 0.000 -0.000 -0.809) 0.809 ======================= Grid point 669 (226/226) ======================= q-point: ( 0.55 0.45 0.45) 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 2.98e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -2.580 -1.505 1.918) 3.550 1.879 ( 4.687 2.121 1.532) 5.368 2.203 ( 0.058 0.794 2.696) 2.811 2.575 ( -0.822 0.036 -1.841) 2.016 2.583 ( 1.026 -0.042 3.310) 3.466 2.937 ( -2.509 -1.527 -1.504) 3.300 4.457 ( -4.299 -1.948 4.351) 6.419 4.499 ( -0.320 -0.700 -0.988) 1.252 4.977 ( -9.685 -5.727 -0.094) 11.252 5.740 ( -2.323 0.058 -0.950) 2.510 5.755 ( 0.134 -1.403 0.841) 1.641 6.089 ( -1.275 -0.575 -1.592) 2.119 6.824 ( -16.493 -9.661 4.782) 19.704 7.021 ( -5.549 -2.866 -6.092) 8.725 7.303 ( -13.005 -7.472 -8.586) 17.282 7.697 ( 10.149 6.518 11.762) 16.847 8.085 ( 21.662 11.341 -2.204) 24.550 8.714 ( 12.401 7.479 -1.254) 14.536 14.221 ( 0.339 -0.185 -0.003) 0.386 14.314 ( 8.496 5.279 0.270) 10.006 16.376 ( -0.363 -0.128 0.714) 0.811 16.393 ( 1.106 0.548 -0.643) 1.392 18.079 ( -2.790 -1.600 0.143) 3.220 18.382 ( -8.343 -4.817 -0.588) 9.651 =================== 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 3/31944 10.0 136.407 136.407 135.714 0.000 -0.000 0.000 3/31944 20.0 32.296 32.296 32.448 0.000 -0.000 0.000 3/31944 30.0 17.068 17.068 17.322 0.000 -0.000 0.000 3/31944 40.0 11.265 11.265 11.522 0.000 -0.000 0.000 3/31944 50.0 8.317 8.317 8.541 0.000 -0.000 0.000 3/31944 60.0 6.589 6.589 6.773 0.000 -0.000 0.000 3/31944 70.0 5.474 5.474 5.623 0.000 -0.000 0.000 3/31944 80.0 4.702 4.702 4.821 0.000 -0.000 0.000 3/31944 90.0 4.135 4.135 4.232 0.000 -0.000 0.000 3/31944 100.0 3.701 3.701 3.780 0.000 -0.000 0.000 3/31944 110.0 3.357 3.357 3.422 0.000 -0.000 0.000 3/31944 120.0 3.077 3.077 3.131 0.000 -0.000 0.000 3/31944 130.0 2.844 2.844 2.889 0.000 -0.000 0.000 3/31944 140.0 2.646 2.646 2.685 0.000 -0.000 0.000 3/31944 150.0 2.476 2.476 2.509 0.000 -0.000 0.000 3/31944 160.0 2.328 2.328 2.357 0.000 -0.000 0.000 3/31944 170.0 2.198 2.198 2.223 0.000 -0.000 0.000 3/31944 180.0 2.082 2.082 2.105 0.000 -0.000 0.000 3/31944 190.0 1.979 1.979 1.999 0.000 -0.000 0.000 3/31944 200.0 1.886 1.886 1.904 0.000 -0.000 0.000 3/31944 210.0 1.801 1.801 1.817 0.000 -0.000 0.000 3/31944 220.0 1.724 1.724 1.739 0.000 -0.000 0.000 3/31944 230.0 1.654 1.654 1.667 0.000 -0.000 0.000 3/31944 240.0 1.589 1.589 1.601 0.000 -0.000 0.000 3/31944 250.0 1.529 1.529 1.541 0.000 -0.000 0.000 3/31944 260.0 1.474 1.474 1.485 0.000 -0.000 0.000 3/31944 270.0 1.422 1.422 1.432 0.000 -0.000 0.000 3/31944 280.0 1.374 1.374 1.384 0.000 -0.000 0.000 3/31944 290.0 1.329 1.329 1.339 0.000 -0.000 0.000 3/31944 300.0 1.288 1.288 1.296 0.000 -0.000 0.000 3/31944 310.0 1.248 1.248 1.256 0.000 -0.000 0.000 3/31944 320.0 1.211 1.211 1.219 0.000 -0.000 0.000 3/31944 330.0 1.176 1.176 1.184 0.000 -0.000 0.000 3/31944 340.0 1.143 1.143 1.150 0.000 -0.000 0.000 3/31944 350.0 1.112 1.112 1.119 0.000 -0.000 0.000 3/31944 360.0 1.083 1.083 1.089 0.000 -0.000 0.000 3/31944 370.0 1.055 1.055 1.061 0.000 -0.000 0.000 3/31944 380.0 1.028 1.028 1.034 0.000 -0.000 0.000 3/31944 390.0 1.003 1.003 1.009 0.000 -0.000 0.000 3/31944 400.0 0.979 0.979 0.984 0.000 -0.000 0.000 3/31944 410.0 0.956 0.956 0.961 0.000 -0.000 0.000 3/31944 420.0 0.934 0.934 0.939 0.000 -0.000 0.000 3/31944 430.0 0.913 0.913 0.918 0.000 -0.000 0.000 3/31944 440.0 0.893 0.893 0.898 0.000 -0.000 0.000 3/31944 450.0 0.874 0.874 0.879 0.000 -0.000 0.000 3/31944 460.0 0.856 0.856 0.860 0.000 -0.000 0.000 3/31944 470.0 0.838 0.838 0.842 0.000 -0.000 0.000 3/31944 480.0 0.821 0.821 0.825 0.000 -0.000 0.000 3/31944 490.0 0.805 0.805 0.809 0.000 -0.000 0.000 3/31944 500.0 0.789 0.789 0.793 0.000 -0.000 0.000 3/31944 510.0 0.774 0.774 0.778 0.000 -0.000 0.000 3/31944 520.0 0.760 0.760 0.764 0.000 -0.000 0.000 3/31944 530.0 0.746 0.746 0.749 0.000 -0.000 0.000 3/31944 540.0 0.732 0.732 0.736 0.000 -0.000 0.000 3/31944 550.0 0.719 0.719 0.723 0.000 -0.000 0.000 3/31944 560.0 0.707 0.707 0.710 0.000 -0.000 0.000 3/31944 570.0 0.695 0.695 0.698 0.000 -0.000 0.000 3/31944 580.0 0.683 0.683 0.686 0.000 -0.000 0.000 3/31944 590.0 0.672 0.672 0.675 0.000 -0.000 0.000 3/31944 600.0 0.661 0.661 0.664 0.000 -0.000 0.000 3/31944 610.0 0.650 0.650 0.653 0.000 -0.000 0.000 3/31944 620.0 0.640 0.640 0.643 0.000 -0.000 0.000 3/31944 630.0 0.630 0.630 0.633 0.000 -0.000 0.000 3/31944 640.0 0.620 0.620 0.623 0.000 -0.000 0.000 3/31944 650.0 0.611 0.611 0.614 0.000 -0.000 0.000 3/31944 660.0 0.602 0.602 0.605 0.000 -0.000 0.000 3/31944 670.0 0.593 0.593 0.596 0.000 -0.000 0.000 3/31944 680.0 0.584 0.584 0.587 0.000 -0.000 0.000 3/31944 690.0 0.576 0.576 0.579 0.000 -0.000 0.000 3/31944 700.0 0.568 0.568 0.571 0.000 -0.000 0.000 3/31944 710.0 0.560 0.560 0.563 0.000 -0.000 0.000 3/31944 720.0 0.553 0.553 0.555 0.000 -0.000 0.000 3/31944 730.0 0.545 0.545 0.548 0.000 -0.000 0.000 3/31944 740.0 0.538 0.538 0.540 0.000 -0.000 0.000 3/31944 750.0 0.531 0.531 0.533 0.000 -0.000 0.000 3/31944 760.0 0.524 0.524 0.526 0.000 -0.000 0.000 3/31944 770.0 0.517 0.517 0.520 0.000 -0.000 0.000 3/31944 780.0 0.511 0.511 0.513 0.000 -0.000 0.000 3/31944 790.0 0.504 0.504 0.507 0.000 -0.000 0.000 3/31944 800.0 0.498 0.498 0.500 0.000 -0.000 0.000 3/31944 810.0 0.492 0.492 0.494 0.000 -0.000 0.000 3/31944 820.0 0.486 0.486 0.488 0.000 -0.000 0.000 3/31944 830.0 0.480 0.480 0.482 0.000 -0.000 0.000 3/31944 840.0 0.475 0.475 0.477 0.000 -0.000 0.000 3/31944 850.0 0.469 0.469 0.471 0.000 -0.000 0.000 3/31944 860.0 0.464 0.464 0.466 0.000 -0.000 0.000 3/31944 870.0 0.458 0.458 0.461 0.000 -0.000 0.000 3/31944 880.0 0.453 0.453 0.455 0.000 -0.000 0.000 3/31944 890.0 0.448 0.448 0.450 0.000 -0.000 0.000 3/31944 900.0 0.443 0.443 0.445 0.000 -0.000 0.000 3/31944 910.0 0.439 0.439 0.441 0.000 -0.000 0.000 3/31944 920.0 0.434 0.434 0.436 0.000 -0.000 0.000 3/31944 930.0 0.429 0.429 0.431 0.000 -0.000 0.000 3/31944 940.0 0.425 0.425 0.427 0.000 -0.000 0.000 3/31944 950.0 0.420 0.420 0.422 0.000 -0.000 0.000 3/31944 960.0 0.416 0.416 0.418 0.000 -0.000 0.000 3/31944 970.0 0.412 0.412 0.414 0.000 -0.000 0.000 3/31944 980.0 0.408 0.408 0.409 0.000 -0.000 0.000 3/31944 990.0 0.403 0.403 0.405 0.000 -0.000 0.000 3/31944 1000.0 0.399 0.399 0.401 0.000 -0.000 0.000 3/31944 Thermal conductivity related properties were written into "kappa-m111111.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:27:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|