----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:49:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.477714230711692 0.000000000000000 0.000000000000000 b 0.000000000000000 5.963280050000000 0.000000000000000 c -5.349847553882925 0.000000000000000 7.919224649835662 Atomic positions (fractional): *1 O 0.27416486302717 0.28185677929734 0.43572431913243 15.999 2 O 0.72583513697283 0.78185677929734 0.06427568086757 15.999 3 O 0.72583513697283 0.71814322070266 0.56427568086757 15.999 4 O 0.27416486302717 0.21814322070266 0.93572431913243 15.999 *5 O 0.38165891864876 0.95726531913158 0.26638641209268 15.999 6 O 0.61834108135124 0.45726531913158 0.23361358790732 15.999 7 O 0.61834108135124 0.04273468086842 0.73361358790732 15.999 8 O 0.38165891864876 0.54273468086842 0.76638641209268 15.999 *9 O 0.15312247871329 0.67531002864173 0.94968254696927 15.999 10 O 0.84687752128671 0.17531002864173 0.55031745303073 15.999 11 O 0.84687752128671 0.32468997135827 0.05031745303073 15.999 12 O 0.15312247871329 0.82468997135827 0.44968254696927 15.999 *13 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 14 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 *15 Pr 0.22406624361642 0.57631810902001 0.24728957109666 140.908 16 Pr 0.22406624361642 0.92368189097999 0.74728957109666 140.908 17 Pr 0.77593375638358 0.07631810902001 0.25271042890334 140.908 18 Pr 0.77593375638358 0.42368189097999 0.75271042890334 140.908 *19 Os 0.50000000000000 0.00000000000000 0.50000000000000 190.230 20 Os 0.50000000000000 0.50000000000000 0.00000000000000 190.230 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.477714230711692 0.000000000000000 0.000000000000000 b 0.000000000000000 5.963280050000000 0.000000000000000 c -5.349847553882925 0.000000000000000 7.919224649835662 Atomic positions (fractional): *1 O 0.27416486302717 0.28185677929734 0.43572431913243 15.999 > 1 2 O 0.72583513697283 0.78185677929734 0.06427568086757 15.999 > 2 3 O 0.72583513697283 0.71814322070266 0.56427568086757 15.999 > 3 4 O 0.27416486302717 0.21814322070266 0.93572431913243 15.999 > 4 *5 O 0.38165891864876 0.95726531913158 0.26638641209268 15.999 > 5 6 O 0.61834108135124 0.45726531913158 0.23361358790732 15.999 > 6 7 O 0.61834108135124 0.04273468086842 0.73361358790732 15.999 > 7 8 O 0.38165891864876 0.54273468086842 0.76638641209268 15.999 > 8 *9 O 0.15312247871329 0.67531002864173 0.94968254696927 15.999 > 9 10 O 0.84687752128671 0.17531002864173 0.55031745303073 15.999 > 10 11 O 0.84687752128671 0.32468997135827 0.05031745303073 15.999 > 11 12 O 0.15312247871329 0.82468997135827 0.44968254696927 15.999 > 12 *13 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 13 14 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 14 *15 Pr 0.22406624361642 0.57631810902001 0.24728957109666 140.908 > 15 16 Pr 0.22406624361642 0.92368189097999 0.74728957109666 140.908 > 16 17 Pr 0.77593375638358 0.07631810902001 0.25271042890334 140.908 > 17 18 Pr 0.77593375638358 0.42368189097999 0.75271042890334 140.908 > 18 *19 Os 0.50000000000000 0.00000000000000 0.50000000000000 190.230 > 19 20 Os 0.50000000000000 0.50000000000000 0.00000000000000 190.230 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.955428461423384 0.000000000000000 0.000000000000000 b 0.000000000000000 11.926560100000000 0.000000000000000 c -5.349847553882925 0.000000000000000 7.919224649835662 Atomic positions (fractional): *1 O 0.13708243151358 0.14092838964867 0.43572431913243 15.999 > 1 2 O 0.63708243151358 0.14092838964867 0.43572431913243 15.999 > 1 3 O 0.13708243151358 0.64092838964867 0.43572431913243 15.999 > 1 4 O 0.63708243151358 0.64092838964867 0.43572431913243 15.999 > 1 5 O 0.36291756848642 0.39092838964867 0.06427568086757 15.999 > 2 6 O 0.86291756848642 0.39092838964867 0.06427568086757 15.999 > 2 7 O 0.36291756848642 0.89092838964867 0.06427568086757 15.999 > 2 8 O 0.86291756848642 0.89092838964867 0.06427568086757 15.999 > 2 9 O 0.36291756848642 0.35907161035133 0.56427568086757 15.999 > 3 10 O 0.86291756848642 0.35907161035133 0.56427568086757 15.999 > 3 11 O 0.36291756848642 0.85907161035133 0.56427568086757 15.999 > 3 12 O 0.86291756848642 0.85907161035133 0.56427568086757 15.999 > 3 13 O 0.13708243151358 0.10907161035133 0.93572431913243 15.999 > 4 14 O 0.63708243151358 0.10907161035133 0.93572431913243 15.999 > 4 15 O 0.13708243151358 0.60907161035133 0.93572431913243 15.999 > 4 16 O 0.63708243151358 0.60907161035133 0.93572431913243 15.999 > 4 *17 O 0.19082945932438 0.47863265956579 0.26638641209268 15.999 > 5 18 O 0.69082945932438 0.47863265956579 0.26638641209268 15.999 > 5 19 O 0.19082945932438 0.97863265956579 0.26638641209268 15.999 > 5 20 O 0.69082945932438 0.97863265956579 0.26638641209268 15.999 > 5 21 O 0.30917054067562 0.22863265956579 0.23361358790732 15.999 > 6 22 O 0.80917054067562 0.22863265956579 0.23361358790732 15.999 > 6 23 O 0.30917054067562 0.72863265956579 0.23361358790732 15.999 > 6 24 O 0.80917054067562 0.72863265956579 0.23361358790732 15.999 > 6 25 O 0.30917054067562 0.02136734043421 0.73361358790732 15.999 > 7 26 O 0.80917054067562 0.02136734043421 0.73361358790732 15.999 > 7 27 O 0.30917054067562 0.52136734043421 0.73361358790732 15.999 > 7 28 O 0.80917054067562 0.52136734043421 0.73361358790732 15.999 > 7 29 O 0.19082945932438 0.27136734043421 0.76638641209268 15.999 > 8 30 O 0.69082945932438 0.27136734043421 0.76638641209268 15.999 > 8 31 O 0.19082945932438 0.77136734043421 0.76638641209268 15.999 > 8 32 O 0.69082945932438 0.77136734043421 0.76638641209268 15.999 > 8 *33 O 0.07656123935664 0.33765501432086 0.94968254696927 15.999 > 9 34 O 0.57656123935664 0.33765501432086 0.94968254696927 15.999 > 9 35 O 0.07656123935664 0.83765501432086 0.94968254696927 15.999 > 9 36 O 0.57656123935664 0.83765501432086 0.94968254696927 15.999 > 9 37 O 0.42343876064336 0.08765501432086 0.55031745303073 15.999 > 10 38 O 0.92343876064336 0.08765501432086 0.55031745303073 15.999 > 10 39 O 0.42343876064336 0.58765501432086 0.55031745303073 15.999 > 10 40 O 0.92343876064336 0.58765501432086 0.55031745303073 15.999 > 10 41 O 0.42343876064336 0.16234498567914 0.05031745303073 15.999 > 11 42 O 0.92343876064336 0.16234498567914 0.05031745303073 15.999 > 11 43 O 0.42343876064336 0.66234498567914 0.05031745303073 15.999 > 11 44 O 0.92343876064336 0.66234498567914 0.05031745303073 15.999 > 11 45 O 0.07656123935664 0.41234498567914 0.44968254696927 15.999 > 12 46 O 0.57656123935664 0.41234498567914 0.44968254696927 15.999 > 12 47 O 0.07656123935664 0.91234498567914 0.44968254696927 15.999 > 12 48 O 0.57656123935664 0.91234498567914 0.44968254696927 15.999 > 12 *49 Na 0.00000000000000 0.25000000000000 0.50000000000000 22.990 > 13 50 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 13 51 Na 0.00000000000000 0.75000000000000 0.50000000000000 22.990 > 13 52 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 13 53 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 14 54 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 14 55 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 14 56 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 14 *57 Pr 0.11203312180821 0.28815905451001 0.24728957109666 140.908 > 15 58 Pr 0.61203312180821 0.28815905451001 0.24728957109666 140.908 > 15 59 Pr 0.11203312180821 0.78815905451001 0.24728957109666 140.908 > 15 60 Pr 0.61203312180821 0.78815905451001 0.24728957109666 140.908 > 15 61 Pr 0.11203312180821 0.46184094548999 0.74728957109666 140.908 > 16 62 Pr 0.61203312180821 0.46184094548999 0.74728957109666 140.908 > 16 63 Pr 0.11203312180821 0.96184094548999 0.74728957109666 140.908 > 16 64 Pr 0.61203312180821 0.96184094548999 0.74728957109666 140.908 > 16 65 Pr 0.38796687819179 0.03815905451001 0.25271042890334 140.908 > 17 66 Pr 0.88796687819179 0.03815905451001 0.25271042890334 140.908 > 17 67 Pr 0.38796687819179 0.53815905451001 0.25271042890334 140.908 > 17 68 Pr 0.88796687819179 0.53815905451001 0.25271042890334 140.908 > 17 69 Pr 0.38796687819179 0.21184094548999 0.75271042890334 140.908 > 18 70 Pr 0.88796687819179 0.21184094548999 0.75271042890334 140.908 > 18 71 Pr 0.38796687819179 0.71184094548999 0.75271042890334 140.908 > 18 72 Pr 0.88796687819179 0.71184094548999 0.75271042890334 140.908 > 18 *73 Os 0.25000000000000 0.00000000000000 0.50000000000000 190.230 > 19 74 Os 0.75000000000000 0.00000000000000 0.50000000000000 190.230 > 19 75 Os 0.25000000000000 0.50000000000000 0.50000000000000 190.230 > 19 76 Os 0.75000000000000 0.50000000000000 0.50000000000000 190.230 > 19 77 Os 0.25000000000000 0.25000000000000 0.00000000000000 190.230 > 20 78 Os 0.75000000000000 0.25000000000000 0.00000000000000 190.230 > 20 79 Os 0.25000000000000 0.75000000000000 0.00000000000000 190.230 > 20 80 Os 0.75000000000000 0.75000000000000 0.00000000000000 190.230 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 269.5823246 0.0000000 234.5783296 0.0000000 3037.7486208 0.0000000 234.5666608 0.0000000 932.1797857 -------------------------- Born effective charges -------------------------- 1 O -1.4370782 0.6826181 0.4019517 3.6144687 -4.7086471 0.9468475 -1.7399672 0.0992558 0.3216519 2 O -1.4370782 -0.6826181 0.4019517 -3.6144687 -4.7086471 -0.9468475 -1.7399672 -0.0992558 0.3216519 3 O -1.4370782 0.6826181 0.4019517 3.6144687 -4.7086471 0.9468475 -1.7399672 0.0992558 0.3216519 4 O -1.4370782 -0.6826181 0.4019517 -3.6144687 -4.7086471 -0.9468475 -1.7399672 -0.0992558 0.3216519 5 O -4.0411052 -1.1793516 1.8607880 -1.0997422 12.8341427 1.6982551 -2.6632608 -0.6428634 -2.4125990 6 O -4.0411052 1.1793516 1.8607880 1.0997422 12.8341427 -1.6982551 -2.6632608 0.6428634 -2.4125990 7 O -4.0411052 -1.1793516 1.8607880 -1.0997422 12.8341427 1.6982551 -2.6632608 -0.6428634 -2.4125990 8 O -4.0411052 1.1793516 1.8607880 1.0997422 12.8341427 -1.6982551 -2.6632608 0.6428634 -2.4125990 9 O -2.0546765 -0.2326642 -1.9619876 -4.7189458 -13.2311911 2.1986018 -0.4979850 -1.9211066 -4.0166427 10 O -2.0546765 0.2326642 -1.9619876 4.7189458 -13.2311911 -2.1986018 -0.4979850 1.9211066 -4.0166427 11 O -2.0546765 -0.2326642 -1.9619876 -4.7189458 -13.2311911 2.1986018 -0.4979850 -1.9211066 -4.0166427 12 O -2.0546765 0.2326642 -1.9619876 4.7189458 -13.2311911 -2.1986018 -0.4979850 1.9211066 -4.0166427 13 Na 1.1175217 -0.0434562 -0.2446695 1.0514581 2.5383197 -1.0105269 0.2508339 -0.1603195 1.0825024 14 Na 1.1175217 0.0434562 -0.2446695 -1.0514581 2.5383197 1.0105269 0.2508339 0.1603195 1.0825024 15 Pr 3.5670320 -0.7121716 -0.8941788 -1.7968819 4.7183287 4.0866297 1.5970812 0.9182294 1.0779669 16 Pr 3.5670320 0.7121716 -0.8941788 1.7968819 4.7183287 -4.0866297 1.5970812 -0.9182294 1.0779669 17 Pr 3.5670320 0.7121716 -0.8941788 1.7968819 4.7183287 -4.0866297 1.5970812 -0.9182294 1.0779669 18 Pr 3.5670320 -0.7121716 -0.8941788 -1.7968819 4.7183287 4.0866297 1.5970812 0.9182294 1.0779669 19 Os 6.8141341 -1.1189237 1.4315230 -12.4223667 -1.7635862 -7.4467903 6.3574296 -3.8355590 8.9767436 20 Os 6.8141341 1.1189237 1.4315230 12.4223667 -1.7635862 7.4467903 6.3574296 3.8355590 8.9767436 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1908 Number of blocks in projector: 1908 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 232 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1855), data: False |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (404, 392), data: True |-- (404, 392), data: True |-- (404, 393), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.167 Solver_block: 200 / 640 - Time: 2.158 Solver_block: 300 / 640 - Time: 2.159 Solver_block: 400 / 640 - Time: 2.156 Solver_block: 500 / 640 - Time: 2.159 Solver_block: 600 / 640 - Time: 2.160 Solver_block: 640 / 640 - Time: 0.926 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.933 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1908 Number of blocks in projector: 1908 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 232 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1855), data: False |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (404, 392), data: True |-- (404, 392), data: True |-- (404, 393), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:50:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:50:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.477714230711692 0.000000000000000 0.000000000000000 b 0.000000000000000 5.963280050000000 0.000000000000000 c -5.349847553882925 0.000000000000000 7.919224649835662 Atomic positions (fractional): 1 O 0.27416486302717 0.28185677929734 0.43572431913243 15.999 2 O 0.72583513697283 0.78185677929734 0.06427568086757 15.999 3 O 0.72583513697283 0.71814322070266 0.56427568086757 15.999 4 O 0.27416486302717 0.21814322070266 0.93572431913243 15.999 5 O 0.38165891864876 0.95726531913158 0.26638641209268 15.999 6 O 0.61834108135124 0.45726531913158 0.23361358790732 15.999 7 O 0.61834108135124 0.04273468086842 0.73361358790732 15.999 8 O 0.38165891864876 0.54273468086842 0.76638641209268 15.999 9 O 0.15312247871329 0.67531002864173 0.94968254696927 15.999 10 O 0.84687752128671 0.17531002864173 0.55031745303073 15.999 11 O 0.84687752128671 0.32468997135827 0.05031745303073 15.999 12 O 0.15312247871329 0.82468997135827 0.44968254696927 15.999 13 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 14 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 15 Pr 0.22406624361642 0.57631810902001 0.24728957109666 140.908 16 Pr 0.22406624361642 0.92368189097999 0.74728957109666 140.908 17 Pr 0.77593375638358 0.07631810902001 0.25271042890334 140.908 18 Pr 0.77593375638358 0.42368189097999 0.75271042890334 140.908 19 Os 0.50000000000000 0.00000000000000 0.50000000000000 190.230 20 Os 0.50000000000000 0.50000000000000 0.00000000000000 190.230 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.955428461423384 0.000000000000000 0.000000000000000 b 0.000000000000000 11.926560100000000 0.000000000000000 c -5.349847553882925 0.000000000000000 7.919224649835662 Atomic positions (fractional): 1 O 0.13708243151358 0.14092838964867 0.43572431913243 15.999 > 1 2 O 0.63708243151358 0.14092838964867 0.43572431913243 15.999 > 1 3 O 0.13708243151358 0.64092838964867 0.43572431913243 15.999 > 1 4 O 0.63708243151358 0.64092838964867 0.43572431913243 15.999 > 1 5 O 0.36291756848642 0.39092838964867 0.06427568086757 15.999 > 5 6 O 0.86291756848642 0.39092838964867 0.06427568086757 15.999 > 5 7 O 0.36291756848642 0.89092838964867 0.06427568086757 15.999 > 5 8 O 0.86291756848642 0.89092838964867 0.06427568086757 15.999 > 5 9 O 0.36291756848642 0.35907161035133 0.56427568086757 15.999 > 9 10 O 0.86291756848642 0.35907161035133 0.56427568086757 15.999 > 9 11 O 0.36291756848642 0.85907161035133 0.56427568086757 15.999 > 9 12 O 0.86291756848642 0.85907161035133 0.56427568086757 15.999 > 9 13 O 0.13708243151358 0.10907161035133 0.93572431913243 15.999 > 13 14 O 0.63708243151358 0.10907161035133 0.93572431913243 15.999 > 13 15 O 0.13708243151358 0.60907161035133 0.93572431913243 15.999 > 13 16 O 0.63708243151358 0.60907161035133 0.93572431913243 15.999 > 13 17 O 0.19082945932438 0.47863265956579 0.26638641209268 15.999 > 17 18 O 0.69082945932438 0.47863265956579 0.26638641209268 15.999 > 17 19 O 0.19082945932438 0.97863265956579 0.26638641209268 15.999 > 17 20 O 0.69082945932438 0.97863265956579 0.26638641209268 15.999 > 17 21 O 0.30917054067562 0.22863265956579 0.23361358790732 15.999 > 21 22 O 0.80917054067562 0.22863265956579 0.23361358790732 15.999 > 21 23 O 0.30917054067562 0.72863265956579 0.23361358790732 15.999 > 21 24 O 0.80917054067562 0.72863265956579 0.23361358790732 15.999 > 21 25 O 0.30917054067562 0.02136734043421 0.73361358790732 15.999 > 25 26 O 0.80917054067562 0.02136734043421 0.73361358790732 15.999 > 25 27 O 0.30917054067562 0.52136734043421 0.73361358790732 15.999 > 25 28 O 0.80917054067562 0.52136734043421 0.73361358790732 15.999 > 25 29 O 0.19082945932438 0.27136734043421 0.76638641209268 15.999 > 29 30 O 0.69082945932438 0.27136734043421 0.76638641209268 15.999 > 29 31 O 0.19082945932438 0.77136734043421 0.76638641209268 15.999 > 29 32 O 0.69082945932438 0.77136734043421 0.76638641209268 15.999 > 29 33 O 0.07656123935664 0.33765501432086 0.94968254696927 15.999 > 33 34 O 0.57656123935664 0.33765501432086 0.94968254696927 15.999 > 33 35 O 0.07656123935664 0.83765501432086 0.94968254696927 15.999 > 33 36 O 0.57656123935664 0.83765501432086 0.94968254696927 15.999 > 33 37 O 0.42343876064336 0.08765501432086 0.55031745303073 15.999 > 37 38 O 0.92343876064336 0.08765501432086 0.55031745303073 15.999 > 37 39 O 0.42343876064336 0.58765501432086 0.55031745303073 15.999 > 37 40 O 0.92343876064336 0.58765501432086 0.55031745303073 15.999 > 37 41 O 0.42343876064336 0.16234498567914 0.05031745303073 15.999 > 41 42 O 0.92343876064336 0.16234498567914 0.05031745303073 15.999 > 41 43 O 0.42343876064336 0.66234498567914 0.05031745303073 15.999 > 41 44 O 0.92343876064336 0.66234498567914 0.05031745303073 15.999 > 41 45 O 0.07656123935664 0.41234498567914 0.44968254696927 15.999 > 45 46 O 0.57656123935664 0.41234498567914 0.44968254696927 15.999 > 45 47 O 0.07656123935664 0.91234498567914 0.44968254696927 15.999 > 45 48 O 0.57656123935664 0.91234498567914 0.44968254696927 15.999 > 45 49 Na 0.00000000000000 0.25000000000000 0.50000000000000 22.990 > 49 50 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 49 51 Na 0.00000000000000 0.75000000000000 0.50000000000000 22.990 > 49 52 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 49 53 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 53 54 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 53 55 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 53 56 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 53 57 Pr 0.11203312180821 0.28815905451001 0.24728957109666 140.908 > 57 58 Pr 0.61203312180821 0.28815905451001 0.24728957109666 140.908 > 57 59 Pr 0.11203312180821 0.78815905451001 0.24728957109666 140.908 > 57 60 Pr 0.61203312180821 0.78815905451001 0.24728957109666 140.908 > 57 61 Pr 0.11203312180821 0.46184094548999 0.74728957109666 140.908 > 61 62 Pr 0.61203312180821 0.46184094548999 0.74728957109666 140.908 > 61 63 Pr 0.11203312180821 0.96184094548999 0.74728957109666 140.908 > 61 64 Pr 0.61203312180821 0.96184094548999 0.74728957109666 140.908 > 61 65 Pr 0.38796687819179 0.03815905451001 0.25271042890334 140.908 > 65 66 Pr 0.88796687819179 0.03815905451001 0.25271042890334 140.908 > 65 67 Pr 0.38796687819179 0.53815905451001 0.25271042890334 140.908 > 65 68 Pr 0.88796687819179 0.53815905451001 0.25271042890334 140.908 > 65 69 Pr 0.38796687819179 0.21184094548999 0.75271042890334 140.908 > 69 70 Pr 0.88796687819179 0.21184094548999 0.75271042890334 140.908 > 69 71 Pr 0.38796687819179 0.71184094548999 0.75271042890334 140.908 > 69 72 Pr 0.88796687819179 0.71184094548999 0.75271042890334 140.908 > 69 73 Os 0.25000000000000 0.00000000000000 0.50000000000000 190.230 > 73 74 Os 0.75000000000000 0.00000000000000 0.50000000000000 190.230 > 73 75 Os 0.25000000000000 0.50000000000000 0.50000000000000 190.230 > 73 76 Os 0.75000000000000 0.50000000000000 0.50000000000000 190.230 > 73 77 Os 0.25000000000000 0.25000000000000 0.00000000000000 190.230 > 77 78 Os 0.75000000000000 0.25000000000000 0.00000000000000 190.230 > 77 79 Os 0.25000000000000 0.75000000000000 0.00000000000000 190.230 > 77 80 Os 0.75000000000000 0.75000000000000 0.00000000000000 190.230 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 269.5823246 0.0000000 234.5783296 0.0000000 3037.7486208 0.0000000 234.5666608 0.0000000 932.1797857 -------------------------- Born effective charges -------------------------- 1 O -1.4370782 0.6826181 0.4019517 3.6144687 -4.7086471 0.9468475 -1.7399672 0.0992558 0.3216519 2 O -1.4370782 -0.6826181 0.4019517 -3.6144687 -4.7086471 -0.9468475 -1.7399672 -0.0992558 0.3216519 3 O -1.4370782 0.6826181 0.4019517 3.6144687 -4.7086471 0.9468475 -1.7399672 0.0992558 0.3216519 4 O -1.4370782 -0.6826181 0.4019517 -3.6144687 -4.7086471 -0.9468475 -1.7399672 -0.0992558 0.3216519 5 O -4.0411052 -1.1793516 1.8607880 -1.0997422 12.8341427 1.6982551 -2.6632608 -0.6428634 -2.4125990 6 O -4.0411052 1.1793516 1.8607880 1.0997422 12.8341427 -1.6982551 -2.6632608 0.6428634 -2.4125990 7 O -4.0411052 -1.1793516 1.8607880 -1.0997422 12.8341427 1.6982551 -2.6632608 -0.6428634 -2.4125990 8 O -4.0411052 1.1793516 1.8607880 1.0997422 12.8341427 -1.6982551 -2.6632608 0.6428634 -2.4125990 9 O -2.0546765 -0.2326642 -1.9619876 -4.7189458 -13.2311911 2.1986018 -0.4979850 -1.9211066 -4.0166427 10 O -2.0546765 0.2326642 -1.9619876 4.7189458 -13.2311911 -2.1986018 -0.4979850 1.9211066 -4.0166427 11 O -2.0546765 -0.2326642 -1.9619876 -4.7189458 -13.2311911 2.1986018 -0.4979850 -1.9211066 -4.0166427 12 O -2.0546765 0.2326642 -1.9619876 4.7189458 -13.2311911 -2.1986018 -0.4979850 1.9211066 -4.0166427 13 Na 1.1175217 -0.0434562 -0.2446695 1.0514581 2.5383197 -1.0105269 0.2508339 -0.1603195 1.0825024 14 Na 1.1175217 0.0434562 -0.2446695 -1.0514581 2.5383197 1.0105269 0.2508339 0.1603195 1.0825024 15 Pr 3.5670320 -0.7121716 -0.8941788 -1.7968819 4.7183287 4.0866297 1.5970812 0.9182294 1.0779669 16 Pr 3.5670320 0.7121716 -0.8941788 1.7968819 4.7183287 -4.0866297 1.5970812 -0.9182294 1.0779669 17 Pr 3.5670320 0.7121716 -0.8941788 1.7968819 4.7183287 -4.0866297 1.5970812 -0.9182294 1.0779669 18 Pr 3.5670320 -0.7121716 -0.8941788 -1.7968819 4.7183287 4.0866297 1.5970812 0.9182294 1.0779669 19 Os 6.8141341 -1.1189237 1.4315230 -12.4223667 -1.7635862 -7.4467903 6.3574296 -3.8355590 8.9767436 20 Os 6.8141341 1.1189237 1.4315230 12.4223667 -1.7635862 7.4467903 6.3574296 3.8355590 8.9767436 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000009 (zzz) 0.00000009 (zzz) 0.00000009 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000030 (xy) 0.00000030 (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 2026-01-08 04:50:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:50:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.477714230711692 0.000000000000000 0.000000000000000 b 0.000000000000000 5.963280050000000 0.000000000000000 c -5.349847553882925 0.000000000000000 7.919224649835662 Atomic positions (fractional): 1 O 0.27416486302717 0.28185677929734 0.43572431913243 15.999 2 O 0.72583513697283 0.78185677929734 0.06427568086757 15.999 3 O 0.72583513697283 0.71814322070266 0.56427568086757 15.999 4 O 0.27416486302717 0.21814322070266 0.93572431913243 15.999 5 O 0.38165891864876 0.95726531913158 0.26638641209268 15.999 6 O 0.61834108135124 0.45726531913158 0.23361358790732 15.999 7 O 0.61834108135124 0.04273468086842 0.73361358790732 15.999 8 O 0.38165891864876 0.54273468086842 0.76638641209268 15.999 9 O 0.15312247871329 0.67531002864173 0.94968254696927 15.999 10 O 0.84687752128671 0.17531002864173 0.55031745303073 15.999 11 O 0.84687752128671 0.32468997135827 0.05031745303073 15.999 12 O 0.15312247871329 0.82468997135827 0.44968254696927 15.999 13 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 14 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 15 Pr 0.22406624361642 0.57631810902001 0.24728957109666 140.908 16 Pr 0.22406624361642 0.92368189097999 0.74728957109666 140.908 17 Pr 0.77593375638358 0.07631810902001 0.25271042890334 140.908 18 Pr 0.77593375638358 0.42368189097999 0.75271042890334 140.908 19 Os 0.50000000000000 0.00000000000000 0.50000000000000 190.230 20 Os 0.50000000000000 0.50000000000000 0.00000000000000 190.230 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.955428461423384 0.000000000000000 0.000000000000000 b 0.000000000000000 11.926560100000000 0.000000000000000 c -5.349847553882925 0.000000000000000 7.919224649835662 Atomic positions (fractional): 1 O 0.13708243151358 0.14092838964867 0.43572431913243 15.999 > 1 2 O 0.63708243151358 0.14092838964867 0.43572431913243 15.999 > 1 3 O 0.13708243151358 0.64092838964867 0.43572431913243 15.999 > 1 4 O 0.63708243151358 0.64092838964867 0.43572431913243 15.999 > 1 5 O 0.36291756848642 0.39092838964867 0.06427568086757 15.999 > 5 6 O 0.86291756848642 0.39092838964867 0.06427568086757 15.999 > 5 7 O 0.36291756848642 0.89092838964867 0.06427568086757 15.999 > 5 8 O 0.86291756848642 0.89092838964867 0.06427568086757 15.999 > 5 9 O 0.36291756848642 0.35907161035133 0.56427568086757 15.999 > 9 10 O 0.86291756848642 0.35907161035133 0.56427568086757 15.999 > 9 11 O 0.36291756848642 0.85907161035133 0.56427568086757 15.999 > 9 12 O 0.86291756848642 0.85907161035133 0.56427568086757 15.999 > 9 13 O 0.13708243151358 0.10907161035133 0.93572431913243 15.999 > 13 14 O 0.63708243151358 0.10907161035133 0.93572431913243 15.999 > 13 15 O 0.13708243151358 0.60907161035133 0.93572431913243 15.999 > 13 16 O 0.63708243151358 0.60907161035133 0.93572431913243 15.999 > 13 17 O 0.19082945932438 0.47863265956579 0.26638641209268 15.999 > 17 18 O 0.69082945932438 0.47863265956579 0.26638641209268 15.999 > 17 19 O 0.19082945932438 0.97863265956579 0.26638641209268 15.999 > 17 20 O 0.69082945932438 0.97863265956579 0.26638641209268 15.999 > 17 21 O 0.30917054067562 0.22863265956579 0.23361358790732 15.999 > 21 22 O 0.80917054067562 0.22863265956579 0.23361358790732 15.999 > 21 23 O 0.30917054067562 0.72863265956579 0.23361358790732 15.999 > 21 24 O 0.80917054067562 0.72863265956579 0.23361358790732 15.999 > 21 25 O 0.30917054067562 0.02136734043421 0.73361358790732 15.999 > 25 26 O 0.80917054067562 0.02136734043421 0.73361358790732 15.999 > 25 27 O 0.30917054067562 0.52136734043421 0.73361358790732 15.999 > 25 28 O 0.80917054067562 0.52136734043421 0.73361358790732 15.999 > 25 29 O 0.19082945932438 0.27136734043421 0.76638641209268 15.999 > 29 30 O 0.69082945932438 0.27136734043421 0.76638641209268 15.999 > 29 31 O 0.19082945932438 0.77136734043421 0.76638641209268 15.999 > 29 32 O 0.69082945932438 0.77136734043421 0.76638641209268 15.999 > 29 33 O 0.07656123935664 0.33765501432086 0.94968254696927 15.999 > 33 34 O 0.57656123935664 0.33765501432086 0.94968254696927 15.999 > 33 35 O 0.07656123935664 0.83765501432086 0.94968254696927 15.999 > 33 36 O 0.57656123935664 0.83765501432086 0.94968254696927 15.999 > 33 37 O 0.42343876064336 0.08765501432086 0.55031745303073 15.999 > 37 38 O 0.92343876064336 0.08765501432086 0.55031745303073 15.999 > 37 39 O 0.42343876064336 0.58765501432086 0.55031745303073 15.999 > 37 40 O 0.92343876064336 0.58765501432086 0.55031745303073 15.999 > 37 41 O 0.42343876064336 0.16234498567914 0.05031745303073 15.999 > 41 42 O 0.92343876064336 0.16234498567914 0.05031745303073 15.999 > 41 43 O 0.42343876064336 0.66234498567914 0.05031745303073 15.999 > 41 44 O 0.92343876064336 0.66234498567914 0.05031745303073 15.999 > 41 45 O 0.07656123935664 0.41234498567914 0.44968254696927 15.999 > 45 46 O 0.57656123935664 0.41234498567914 0.44968254696927 15.999 > 45 47 O 0.07656123935664 0.91234498567914 0.44968254696927 15.999 > 45 48 O 0.57656123935664 0.91234498567914 0.44968254696927 15.999 > 45 49 Na 0.00000000000000 0.25000000000000 0.50000000000000 22.990 > 49 50 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 49 51 Na 0.00000000000000 0.75000000000000 0.50000000000000 22.990 > 49 52 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 49 53 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 53 54 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 53 55 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 53 56 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 53 57 Pr 0.11203312180821 0.28815905451001 0.24728957109666 140.908 > 57 58 Pr 0.61203312180821 0.28815905451001 0.24728957109666 140.908 > 57 59 Pr 0.11203312180821 0.78815905451001 0.24728957109666 140.908 > 57 60 Pr 0.61203312180821 0.78815905451001 0.24728957109666 140.908 > 57 61 Pr 0.11203312180821 0.46184094548999 0.74728957109666 140.908 > 61 62 Pr 0.61203312180821 0.46184094548999 0.74728957109666 140.908 > 61 63 Pr 0.11203312180821 0.96184094548999 0.74728957109666 140.908 > 61 64 Pr 0.61203312180821 0.96184094548999 0.74728957109666 140.908 > 61 65 Pr 0.38796687819179 0.03815905451001 0.25271042890334 140.908 > 65 66 Pr 0.88796687819179 0.03815905451001 0.25271042890334 140.908 > 65 67 Pr 0.38796687819179 0.53815905451001 0.25271042890334 140.908 > 65 68 Pr 0.88796687819179 0.53815905451001 0.25271042890334 140.908 > 65 69 Pr 0.38796687819179 0.21184094548999 0.75271042890334 140.908 > 69 70 Pr 0.88796687819179 0.21184094548999 0.75271042890334 140.908 > 69 71 Pr 0.38796687819179 0.71184094548999 0.75271042890334 140.908 > 69 72 Pr 0.88796687819179 0.71184094548999 0.75271042890334 140.908 > 69 73 Os 0.25000000000000 0.00000000000000 0.50000000000000 190.230 > 73 74 Os 0.75000000000000 0.00000000000000 0.50000000000000 190.230 > 73 75 Os 0.25000000000000 0.50000000000000 0.50000000000000 190.230 > 73 76 Os 0.75000000000000 0.50000000000000 0.50000000000000 190.230 > 73 77 Os 0.25000000000000 0.25000000000000 0.00000000000000 190.230 > 77 78 Os 0.75000000000000 0.25000000000000 0.00000000000000 190.230 > 77 79 Os 0.25000000000000 0.75000000000000 0.00000000000000 190.230 > 77 80 Os 0.75000000000000 0.75000000000000 0.00000000000000 190.230 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 269.5823246 0.0000000 234.5783296 0.0000000 3037.7486208 0.0000000 234.5666608 0.0000000 932.1797857 -------------------------- Born effective charges -------------------------- 1 O -1.4370782 0.6826181 0.4019517 3.6144687 -4.7086471 0.9468475 -1.7399672 0.0992558 0.3216519 2 O -1.4370782 -0.6826181 0.4019517 -3.6144687 -4.7086471 -0.9468475 -1.7399672 -0.0992558 0.3216519 3 O -1.4370782 0.6826181 0.4019517 3.6144687 -4.7086471 0.9468475 -1.7399672 0.0992558 0.3216519 4 O -1.4370782 -0.6826181 0.4019517 -3.6144687 -4.7086471 -0.9468475 -1.7399672 -0.0992558 0.3216519 5 O -4.0411052 -1.1793516 1.8607880 -1.0997422 12.8341427 1.6982551 -2.6632608 -0.6428634 -2.4125990 6 O -4.0411052 1.1793516 1.8607880 1.0997422 12.8341427 -1.6982551 -2.6632608 0.6428634 -2.4125990 7 O -4.0411052 -1.1793516 1.8607880 -1.0997422 12.8341427 1.6982551 -2.6632608 -0.6428634 -2.4125990 8 O -4.0411052 1.1793516 1.8607880 1.0997422 12.8341427 -1.6982551 -2.6632608 0.6428634 -2.4125990 9 O -2.0546765 -0.2326642 -1.9619876 -4.7189458 -13.2311911 2.1986018 -0.4979850 -1.9211066 -4.0166427 10 O -2.0546765 0.2326642 -1.9619876 4.7189458 -13.2311911 -2.1986018 -0.4979850 1.9211066 -4.0166427 11 O -2.0546765 -0.2326642 -1.9619876 -4.7189458 -13.2311911 2.1986018 -0.4979850 -1.9211066 -4.0166427 12 O -2.0546765 0.2326642 -1.9619876 4.7189458 -13.2311911 -2.1986018 -0.4979850 1.9211066 -4.0166427 13 Na 1.1175217 -0.0434562 -0.2446695 1.0514581 2.5383197 -1.0105269 0.2508339 -0.1603195 1.0825024 14 Na 1.1175217 0.0434562 -0.2446695 -1.0514581 2.5383197 1.0105269 0.2508339 0.1603195 1.0825024 15 Pr 3.5670320 -0.7121716 -0.8941788 -1.7968819 4.7183287 4.0866297 1.5970812 0.9182294 1.0779669 16 Pr 3.5670320 0.7121716 -0.8941788 1.7968819 4.7183287 -4.0866297 1.5970812 -0.9182294 1.0779669 17 Pr 3.5670320 0.7121716 -0.8941788 1.7968819 4.7183287 -4.0866297 1.5970812 -0.9182294 1.0779669 18 Pr 3.5670320 -0.7121716 -0.8941788 -1.7968819 4.7183287 4.0866297 1.5970812 0.9182294 1.0779669 19 Os 6.8141341 -1.1189237 1.4315230 -12.4223667 -1.7635862 -7.4467903 6.3574296 -3.8355590 8.9767436 20 Os 6.8141341 1.1189237 1.4315230 12.4223667 -1.7635862 7.4467903 6.3574296 3.8355590 8.9767436 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000009 (zzz) 0.00000009 (zzz) 0.00000009 (zzz) 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 8 6 ] 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: 0.65, Number of G-points: 299, Lambda: 2.55 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/170) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 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 2.107 ( 0.000 0.000 0.000) 0.000 2.710 ( 0.000 0.000 0.000) 0.000 2.782 ( 0.000 0.000 0.000) 0.000 2.909 ( 0.000 0.000 0.000) 0.000 2.913 ( 0.000 0.000 0.000) 0.000 3.092 ( 0.000 0.000 0.000) 0.000 3.563 ( 0.000 0.000 0.000) 0.000 3.715 ( 0.000 0.000 0.000) 0.000 3.757 ( 0.000 0.000 0.000) 0.000 3.987 ( 0.000 0.000 0.000) 0.000 4.069 ( 0.000 0.000 0.000) 0.000 4.187 ( 0.000 0.000 0.000) 0.000 4.329 ( 0.000 0.000 0.000) 0.000 4.428 ( 0.000 0.000 0.000) 0.000 4.939 ( 0.000 0.000 0.000) 0.000 6.159 ( 0.000 0.000 0.000) 0.000 6.702 ( 0.000 0.000 0.000) 0.000 6.712 ( 0.000 0.000 0.000) 0.000 6.995 ( 0.000 0.000 0.000) 0.000 7.200 ( 0.000 0.000 0.000) 0.000 7.233 ( 0.000 0.000 0.000) 0.000 7.474 ( 0.000 0.000 0.000) 0.000 7.747 ( 0.000 0.000 0.000) 0.000 7.971 ( 0.000 0.000 0.000) 0.000 7.990 ( 0.000 0.000 0.000) 0.000 8.028 ( 0.000 0.000 0.000) 0.000 8.210 ( 0.000 0.000 0.000) 0.000 8.290 ( 0.000 0.000 0.000) 0.000 8.579 ( 0.000 0.000 0.000) 0.000 8.975 ( 0.000 0.000 0.000) 0.000 9.054 ( 0.000 0.000 0.000) 0.000 9.681 ( 0.000 0.000 0.000) 0.000 10.083 ( 0.000 0.000 0.000) 0.000 10.162 ( 0.000 0.000 0.000) 0.000 10.314 ( 0.000 0.000 0.000) 0.000 10.315 ( 0.000 0.000 0.000) 0.000 10.391 ( 0.000 0.000 0.000) 0.000 11.400 ( 0.000 0.000 0.000) 0.000 11.452 ( 0.000 0.000 0.000) 0.000 12.016 ( 0.000 0.000 0.000) 0.000 12.212 ( 0.000 0.000 0.000) 0.000 12.377 ( 0.000 0.000 0.000) 0.000 12.792 ( 0.000 0.000 0.000) 0.000 13.210 ( 0.000 0.000 0.000) 0.000 13.852 ( 0.000 0.000 0.000) 0.000 14.270 ( 0.000 0.000 0.000) 0.000 15.455 ( 0.000 0.000 0.000) 0.000 15.828 ( 0.000 0.000 0.000) 0.000 16.230 ( 0.000 0.000 0.000) 0.000 16.437 ( 0.000 0.000 0.000) 0.000 16.494 ( 0.000 0.000 0.000) 0.000 16.767 ( 0.000 0.000 0.000) 0.000 17.061 ( 0.000 0.000 0.000) 0.000 17.181 ( 0.000 0.000 0.000) 0.000 17.360 ( 0.000 0.000 0.000) 0.000 18.010 ( 0.000 0.000 0.000) 0.000 20.538 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/170) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 23.139 0.000 6.715) 24.094 0.471 ( 19.934 0.000 12.919) 23.755 0.931 ( 36.091 0.000 26.529) 44.792 2.238 ( 9.950 0.000 6.800) 12.052 2.622 ( -8.811 0.000 -2.088) 9.055 2.735 ( -4.381 0.000 -1.716) 4.706 2.808 ( -1.338 0.000 -12.175) 12.248 2.888 ( -1.937 0.000 -0.996) 2.178 3.167 ( 1.543 0.000 5.901) 6.099 3.474 ( -9.901 0.000 -2.627) 10.243 3.651 ( -3.394 0.000 -2.491) 4.211 3.806 ( -1.044 0.000 9.631) 9.687 3.999 ( -0.329 0.000 1.729) 1.760 4.094 ( 4.462 0.000 -2.362) 5.049 4.170 ( -2.984 0.000 -1.752) 3.461 4.329 ( 0.703 0.000 1.994) 2.114 4.380 ( -3.295 0.000 -3.834) 5.055 4.943 ( 0.829 0.000 -0.295) 0.880 6.014 ( -14.953 0.000 -0.350) 14.957 6.565 ( -12.349 0.000 -4.966) 13.310 6.723 ( 2.785 0.000 -2.550) 3.777 6.965 ( -4.630 0.000 0.418) 4.649 7.131 ( -3.888 0.000 -11.002) 11.669 7.161 ( -3.717 0.000 2.500) 4.480 7.511 ( 3.913 0.000 -0.290) 3.924 7.679 ( -8.774 0.000 1.293) 8.869 7.957 ( -1.791 0.000 -0.995) 2.049 8.006 ( 12.623 0.000 -2.771) 12.924 8.104 ( 9.059 0.000 -9.044) 12.801 8.287 ( 5.406 0.000 1.934) 5.742 8.472 ( 10.299 0.000 15.008) 18.202 8.786 ( 6.109 0.000 20.091) 20.999 9.069 ( 4.257 0.000 4.860) 6.461 9.085 ( 1.187 0.000 2.249) 2.543 9.532 ( -8.428 0.000 -7.577) 11.333 10.057 ( -1.229 0.000 -4.281) 4.454 10.199 ( -0.486 0.000 0.326) 0.585 10.316 ( 3.879 0.000 -13.956) 14.485 10.355 ( 4.860 0.000 2.990) 5.706 10.367 ( -0.024 0.000 4.205) 4.205 11.380 ( -2.780 0.000 2.998) 4.089 11.614 ( 4.558 0.000 2.101) 5.019 12.039 ( 0.110 0.000 3.529) 3.531 12.125 ( -5.790 0.000 -6.274) 8.537 12.356 ( -3.797 0.000 1.517) 4.089 12.748 ( -2.144 0.000 -4.066) 4.597 13.223 ( 2.392 0.000 -1.688) 2.928 13.784 ( -7.328 0.000 1.072) 7.406 14.388 ( 13.348 0.000 -1.648) 13.450 15.527 ( 4.485 0.000 4.816) 6.581 15.782 ( -2.642 0.000 -3.831) 4.653 16.264 ( 1.976 0.000 2.918) 3.524 16.425 ( -0.404 0.000 -1.125) 1.196 16.476 ( -2.338 0.000 0.421) 2.376 16.761 ( -1.275 0.000 0.365) 1.326 16.986 ( -4.566 0.000 -8.190) 9.377 17.179 ( 0.416 0.000 -0.889) 0.982 17.364 ( 13.794 0.000 -15.150) 20.489 18.145 ( -2.862 0.000 24.484) 24.651 20.450 ( -6.706 0.000 -5.621) 8.750 ======================= Grid point 2 (3/170) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 21.506 0.000 4.802) 22.036 0.954 ( 20.439 0.000 13.470) 24.479 1.742 ( 28.659 0.000 18.613) 34.173 2.363 ( -11.923 0.000 -4.247) 12.657 2.562 ( 9.411 0.000 9.682) 13.502 2.623 ( -5.589 0.000 -0.121) 5.590 2.624 ( -3.162 0.000 -13.637) 13.999 2.830 ( -3.887 0.000 -0.975) 4.008 3.121 ( -12.316 0.000 -6.309) 13.838 3.300 ( -3.928 0.000 2.236) 4.520 3.589 ( -2.403 0.000 0.151) 2.407 3.909 ( -1.696 0.000 10.192) 10.333 3.974 ( -4.193 0.000 -3.305) 5.339 4.086 ( -3.097 0.000 3.209) 4.460 4.155 ( 5.725 0.000 -2.115) 6.103 4.244 ( -5.276 0.000 -5.765) 7.815 4.420 ( 4.144 0.000 5.862) 7.179 4.964 ( 1.924 0.000 0.093) 1.926 5.737 ( -16.809 0.000 0.584) 16.819 6.240 ( -18.535 0.000 -4.585) 19.094 6.731 ( 4.306 0.000 -8.574) 9.594 6.840 ( -4.561 0.000 -6.320) 7.794 6.910 ( -6.856 0.000 -8.857) 11.200 7.205 ( -2.798 0.000 13.238) 13.531 7.553 ( -0.088 0.000 -0.278) 0.291 7.560 ( -5.087 0.000 -1.396) 5.275 7.946 ( 2.611 0.000 -0.392) 2.640 8.137 ( 6.740 0.000 -7.303) 9.938 8.246 ( 15.699 0.000 0.325) 15.703 8.385 ( 1.550 0.000 4.293) 4.565 8.874 ( 14.111 0.000 13.325) 19.408 9.042 ( -8.335 0.000 -0.128) 8.336 9.046 ( 2.037 0.000 10.736) 10.927 9.237 ( 2.632 0.000 10.622) 10.943 9.414 ( 4.196 0.000 -1.563) 4.478 9.970 ( -0.918 0.000 -6.549) 6.613 10.161 ( 0.901 0.000 -4.155) 4.252 10.207 ( 1.931 0.000 -10.729) 10.901 10.434 ( 5.302 0.000 -2.044) 5.682 10.503 ( 4.999 0.000 6.202) 7.966 11.414 ( 0.644 0.000 6.861) 6.891 11.726 ( 2.588 0.000 6.844) 7.317 11.902 ( -9.515 0.000 -9.802) 13.661 12.091 ( 1.487 0.000 3.529) 3.829 12.276 ( -8.853 0.000 2.521) 9.205 12.650 ( -0.677 0.000 -8.158) 8.186 13.234 ( 1.829 0.000 -3.471) 3.923 13.685 ( -5.912 0.000 1.793) 6.178 14.634 ( 17.115 0.000 -0.294) 17.117 15.662 ( 4.222 0.000 4.163) 5.929 15.668 ( -3.809 0.000 -6.326) 7.385 16.353 ( 1.873 0.000 5.075) 5.410 16.409 ( -0.976 0.000 0.635) 1.165 16.425 ( -3.181 0.000 -1.567) 3.546 16.757 ( -0.629 0.000 3.307) 3.366 16.765 ( -4.049 0.000 -15.719) 16.232 17.192 ( 2.640 0.000 0.203) 2.648 17.483 ( 16.745 0.000 -10.898) 19.979 18.392 ( -4.002 0.000 27.924) 28.209 20.200 ( -12.168 0.000 -10.446) 16.037 ======================= Grid point 3 (4/170) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 14.738 0.000 -0.277) 14.740 1.444 ( 19.568 0.000 13.530) 23.790 2.098 ( -14.103 0.000 0.289) 14.106 2.109 ( 2.611 0.000 -9.220) 9.582 2.488 ( 4.205 0.000 -4.637) 6.259 2.489 ( -4.095 0.000 -4.554) 6.124 2.728 ( -4.363 0.000 -2.964) 5.275 2.855 ( -11.796 0.000 0.033) 11.796 2.876 ( 5.966 0.000 13.631) 14.880 3.224 ( -6.405 0.000 -2.695) 6.948 3.576 ( -0.873 0.000 2.226) 2.391 3.847 ( -8.722 0.000 -8.070) 11.883 3.915 ( 2.572 0.000 2.660) 3.701 4.132 ( 0.534 0.000 6.554) 6.576 4.187 ( 3.509 0.000 -0.741) 3.586 4.241 ( 1.547 0.000 7.497) 7.655 4.578 ( 5.703 0.000 7.229) 9.208 5.010 ( 3.220 0.000 0.306) 3.234 5.500 ( -12.671 0.000 1.212) 12.729 5.884 ( -18.170 0.000 -3.943) 18.593 6.593 ( -1.692 0.000 -16.596) 16.682 6.711 ( -3.120 0.000 -5.014) 5.905 6.810 ( -1.891 0.000 1.508) 2.419 7.296 ( -5.741 0.000 12.005) 13.307 7.485 ( -5.851 0.000 -1.456) 6.029 7.502 ( 1.194 0.000 -0.821) 1.449 8.046 ( 7.978 0.000 1.131) 8.058 8.181 ( 6.376 0.000 -3.716) 7.380 8.427 ( -1.763 0.000 3.589) 3.999 8.486 ( 11.470 0.000 0.668) 11.490 8.763 ( -11.701 0.000 -5.574) 12.961 9.111 ( -2.991 0.000 0.956) 3.140 9.268 ( -6.596 0.000 3.268) 7.362 9.310 ( 11.907 0.000 12.961) 17.600 9.537 ( 8.436 0.000 0.412) 8.446 9.928 ( 2.483 0.000 -3.822) 4.558 10.156 ( 3.176 0.000 -6.499) 7.233 10.200 ( 8.285 0.000 -0.439) 8.296 10.495 ( 5.560 0.000 -3.001) 6.318 10.643 ( 3.970 0.000 5.443) 6.737 11.534 ( 2.136 0.000 8.362) 8.630 11.615 ( -10.556 0.000 -10.514) 14.899 11.842 ( -0.309 0.000 9.280) 9.285 12.116 ( -12.700 0.000 1.304) 12.767 12.191 ( 7.098 0.000 3.615) 7.965 12.561 ( 1.280 0.000 -8.355) 8.453 13.196 ( -0.201 0.000 -5.641) 5.644 13.632 ( -3.396 0.000 2.203) 4.048 14.936 ( 17.936 0.000 1.499) 17.998 15.532 ( -3.726 0.000 -5.830) 6.919 15.739 ( 1.621 0.000 1.342) 2.104 16.332 ( -2.714 0.000 -5.894) 6.489 16.373 ( -4.892 0.000 2.027) 5.295 16.412 ( -0.834 0.000 2.415) 2.555 16.539 ( -3.453 0.000 -12.559) 13.025 16.819 ( 0.922 0.000 4.580) 4.672 17.325 ( 10.402 0.000 6.523) 12.278 17.641 ( 14.701 0.000 -8.438) 16.950 18.615 ( -4.350 0.000 23.524) 23.923 19.830 ( -15.396 0.000 -13.704) 20.612 ======================= Grid point 4 (5/170) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -0.713 0.000 -8.743) 8.772 1.761 ( -2.691 0.000 6.858) 7.367 1.938 ( -0.073 0.000 -14.356) 14.357 2.082 ( 13.306 0.000 9.721) 16.479 2.385 ( -3.207 0.000 -3.021) 4.405 2.487 ( 1.425 0.000 -5.520) 5.701 2.617 ( -4.900 0.000 -1.787) 5.215 2.696 ( -11.153 0.000 4.439) 12.004 3.047 ( -0.591 0.000 7.404) 7.427 3.084 ( -4.987 0.000 -3.638) 6.173 3.539 ( -11.938 0.000 -12.903) 17.579 3.611 ( 1.227 0.000 2.518) 2.800 4.121 ( 10.409 0.000 9.587) 14.151 4.232 ( 2.275 0.000 6.273) 6.673 4.246 ( 5.288 0.000 -3.096) 6.128 4.371 ( 0.513 0.000 11.020) 11.032 4.759 ( 6.217 0.000 6.961) 9.333 5.072 ( 3.997 0.000 -0.154) 4.000 5.344 ( -7.919 0.000 1.243) 8.016 5.560 ( -15.135 0.000 -4.102) 15.681 6.393 ( -2.876 0.000 -10.914) 11.287 6.617 ( -2.493 0.000 -3.790) 4.536 6.806 ( -0.910 0.000 1.307) 1.592 7.272 ( -5.352 0.000 3.178) 6.224 7.371 ( -4.820 0.000 -1.625) 5.087 7.576 ( 3.336 0.000 3.966) 5.182 8.200 ( 7.626 0.000 1.960) 7.874 8.271 ( 6.240 0.000 0.914) 6.306 8.399 ( -5.499 0.000 1.436) 5.684 8.552 ( -5.920 0.000 -3.980) 7.133 8.622 ( 5.237 0.000 -1.254) 5.385 8.948 ( -10.432 0.000 -4.986) 11.562 9.227 ( -2.008 0.000 1.588) 2.560 9.527 ( 3.878 0.000 2.961) 4.879 9.697 ( 8.482 0.000 2.301) 8.789 9.921 ( 1.499 0.000 -3.789) 4.075 10.154 ( 2.685 0.000 -3.046) 4.060 10.421 ( 11.724 0.000 7.413) 13.871 10.548 ( 3.718 0.000 -1.703) 4.090 10.762 ( 5.582 0.000 2.212) 6.004 11.337 ( -9.444 0.000 -8.756) 12.878 11.638 ( 0.829 0.000 5.393) 5.456 11.897 ( -2.674 0.000 5.301) 5.938 11.904 ( -12.697 0.000 -0.324) 12.701 12.418 ( 11.166 0.000 7.069) 13.216 12.503 ( 1.099 0.000 -5.607) 5.713 13.110 ( -1.566 0.000 -6.291) 6.483 13.610 ( -2.083 0.000 1.541) 2.591 15.240 ( 15.595 0.000 1.666) 15.683 15.427 ( -2.637 0.000 -3.184) 4.134 15.769 ( 1.471 0.000 1.002) 1.780 16.224 ( -0.289 0.000 -7.613) 7.618 16.259 ( -9.167 0.000 -0.467) 9.179 16.359 ( -3.462 0.000 -7.558) 8.313 16.440 ( -1.101 0.000 3.288) 3.468 16.851 ( -0.705 0.000 1.500) 1.658 17.660 ( 14.992 0.000 12.061) 19.242 17.769 ( 10.067 0.000 -5.794) 11.615 18.768 ( -3.602 0.000 15.424) 15.840 19.407 ( -15.538 0.000 -14.384) 21.174 ======================= Grid point 5 (6/170) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -0.607 0.000 -4.424) 4.466 1.736 ( -3.021 0.000 2.830) 4.139 1.769 ( -3.582 0.000 -7.785) 8.570 2.319 ( -1.221 0.000 -1.312) 1.792 2.466 ( 1.529 0.000 -2.721) 3.121 2.468 ( 9.381 0.000 3.090) 9.877 2.592 ( 7.133 0.000 8.360) 10.990 2.627 ( -3.269 0.000 4.122) 5.260 2.967 ( -12.553 0.000 -5.730) 13.799 2.983 ( -2.509 0.000 -2.277) 3.389 3.266 ( -4.436 0.000 -4.931) 6.633 3.650 ( 0.659 0.000 1.006) 1.202 4.285 ( 1.979 0.000 -0.966) 2.202 4.315 ( 2.644 0.000 1.556) 3.068 4.359 ( 4.053 0.000 5.789) 7.067 4.472 ( 0.571 0.000 4.286) 4.324 4.926 ( 4.888 0.000 4.375) 6.560 5.129 ( 2.825 0.000 -0.518) 2.872 5.259 ( -3.679 0.000 0.844) 3.775 5.311 ( -8.349 0.000 -3.227) 8.951 6.272 ( -1.298 0.000 -3.846) 4.059 6.550 ( -1.263 0.000 -1.783) 2.185 6.806 ( -0.432 0.000 0.639) 0.772 7.230 ( -1.837 0.000 0.608) 1.935 7.305 ( -1.484 0.000 -0.631) 1.613 7.654 ( 1.562 0.000 1.724) 2.327 8.304 ( -2.141 0.000 0.748) 2.268 8.327 ( 2.315 0.000 0.403) 2.350 8.384 ( 3.449 0.000 2.536) 4.281 8.469 ( -1.688 0.000 -1.470) 2.238 8.657 ( 3.209 0.000 -2.363) 3.985 8.746 ( -7.737 0.000 -2.169) 8.035 9.214 ( -0.643 0.000 0.178) 0.668 9.579 ( 1.445 0.000 0.004) 1.445 9.812 ( 2.686 0.000 0.957) 2.852 9.904 ( 0.532 0.000 -1.783) 1.861 10.166 ( 1.052 0.000 -0.774) 1.307 10.575 ( 1.168 0.000 -0.550) 1.291 10.663 ( 3.788 0.000 8.091) 8.934 10.890 ( 9.949 0.000 -2.374) 10.228 11.115 ( -8.343 0.000 -4.008) 9.255 11.686 ( 0.198 0.000 1.807) 1.818 11.725 ( -6.550 0.000 -0.506) 6.570 11.897 ( -1.312 0.000 1.423) 1.935 12.472 ( 0.324 0.000 -1.936) 1.963 12.634 ( 5.237 0.000 3.804) 6.473 13.030 ( -0.908 0.000 -2.940) 3.077 13.594 ( -0.995 0.000 0.351) 1.055 15.375 ( -0.949 0.000 -0.825) 1.257 15.442 ( 6.207 0.000 0.144) 6.209 15.846 ( 5.559 0.000 2.457) 6.078 16.082 ( -9.172 0.000 -1.931) 9.373 16.173 ( 1.947 0.000 -3.938) 4.394 16.242 ( -3.501 0.000 -1.926) 3.996 16.458 ( -0.229 0.000 1.340) 1.359 16.849 ( -0.434 0.000 0.275) 0.513 17.839 ( 3.618 0.000 -2.120) 4.193 18.002 ( 9.045 0.000 7.972) 12.056 18.841 ( -1.456 0.000 5.352) 5.546 19.049 ( -8.993 0.000 -8.528) 12.393 ======================= Grid point 11 (7/170) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( 0.000 24.324 0.000) 24.324 0.644 ( 0.000 29.973 0.000) 29.973 1.010 ( 0.000 46.907 0.000) 46.907 2.104 ( 0.000 -0.359 0.000) 0.359 2.649 ( 0.000 -7.770 0.000) 7.770 2.718 ( 0.000 -5.296 0.000) 5.296 2.808 ( 0.000 -1.198 0.000) 1.198 2.928 ( 0.000 0.999 0.000) 0.999 3.224 ( 0.000 6.552 0.000) 6.552 3.523 ( 0.000 -5.079 0.000) 5.079 3.630 ( 0.000 -3.877 0.000) 3.877 3.820 ( 0.000 0.876 0.000) 0.876 3.960 ( 0.000 -3.515 0.000) 3.515 4.116 ( 0.000 3.750 0.000) 3.750 4.209 ( 0.000 1.722 0.000) 1.722 4.339 ( 0.000 1.158 0.000) 1.158 4.386 ( 0.000 -3.180 0.000) 3.180 4.866 ( 0.000 -7.151 0.000) 7.151 6.144 ( 0.000 -1.751 0.000) 1.751 6.579 ( 0.000 -10.399 0.000) 10.399 6.626 ( 0.000 -8.696 0.000) 8.696 7.029 ( 0.000 2.940 0.000) 2.940 7.056 ( 0.000 -8.718 0.000) 8.718 7.288 ( 0.000 -0.022 0.000) 0.022 7.573 ( 0.000 1.289 0.000) 1.289 7.702 ( 0.000 -3.462 0.000) 3.462 7.921 ( 0.000 -5.895 0.000) 5.895 7.940 ( 0.000 -3.133 0.000) 3.133 8.006 ( 0.000 -2.863 0.000) 2.863 8.086 ( 0.000 -8.460 0.000) 8.460 8.433 ( 0.000 10.077 0.000) 10.077 8.577 ( 0.000 -0.672 0.000) 0.672 9.105 ( 0.000 2.107 0.000) 2.107 9.132 ( 0.000 12.288 0.000) 12.288 9.767 ( 0.000 1.901 0.000) 1.901 10.033 ( 0.000 -3.552 0.000) 3.552 10.132 ( 0.000 -2.461 0.000) 2.461 10.314 ( 0.000 0.620 0.000) 0.620 10.428 ( 0.000 8.060 0.000) 8.060 10.455 ( 0.000 4.745 0.000) 4.745 11.418 ( 0.000 1.389 0.000) 1.389 11.461 ( 0.000 0.865 0.000) 0.865 11.959 ( 0.000 -5.247 0.000) 5.247 12.166 ( 0.000 -4.283 0.000) 4.283 12.448 ( 0.000 4.220 0.000) 4.220 12.855 ( 0.000 5.484 0.000) 5.484 13.228 ( 0.000 1.383 0.000) 1.383 13.765 ( 0.000 -7.281 0.000) 7.281 14.354 ( 0.000 7.745 0.000) 7.745 15.442 ( 0.000 -0.950 0.000) 0.950 15.799 ( 0.000 -2.852 0.000) 2.852 16.179 ( 0.000 -6.121 0.000) 6.121 16.389 ( 0.000 -4.218 0.000) 4.218 16.459 ( 0.000 0.555 0.000) 0.555 16.873 ( 0.000 4.085 0.000) 4.085 17.046 ( 0.000 -1.691 0.000) 1.691 17.216 ( 0.000 3.498 0.000) 3.498 17.521 ( 0.000 16.022 0.000) 16.022 17.965 ( 0.000 -4.797 0.000) 4.797 20.433 ( 0.000 -9.870 0.000) 9.870 ======================= Grid point 12 (8/170) ======================= q-point: ( 0.09 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 15.259 20.361 5.023) 25.935 0.807 ( 13.267 22.782 7.780) 27.488 1.287 ( 21.128 31.151 16.076) 40.929 2.227 ( 9.563 -0.958 6.088) 11.377 2.551 ( -0.470 -7.946 -11.501) 13.987 2.667 ( -12.231 0.714 4.253) 12.969 2.809 ( 1.261 -3.766 -1.440) 4.225 2.925 ( -1.292 2.669 -0.412) 2.994 3.202 ( -1.104 3.013 -0.722) 3.289 3.461 ( -9.303 -1.734 -2.452) 9.775 3.553 ( -3.830 -7.580 -1.683) 8.657 3.836 ( -1.271 0.118 5.216) 5.370 3.982 ( -0.673 -2.791 4.684) 5.494 4.095 ( -0.193 0.266 -2.400) 2.423 4.159 ( -4.120 0.905 -3.063) 5.213 4.336 ( -1.548 -2.587 -1.343) 3.301 4.417 ( 3.933 5.289 1.754) 6.821 4.867 ( 0.670 -7.312 -0.707) 7.376 6.018 ( -13.143 -0.623 -0.689) 13.176 6.468 ( -10.556 -8.673 -3.978) 14.229 6.635 ( 1.203 -8.687 -0.163) 8.772 6.925 ( -3.026 -1.930 -7.821) 8.605 7.092 ( -2.574 -3.940 6.549) 8.064 7.179 ( -6.120 -1.278 -7.752) 9.959 7.514 ( -3.856 -1.412 -2.472) 4.793 7.711 ( -0.623 2.345 2.633) 3.581 7.931 ( 1.008 -2.601 -1.557) 3.195 7.980 ( 6.486 -3.874 -3.455) 8.308 8.067 ( 9.993 -2.412 -5.380) 11.602 8.177 ( 6.941 -9.472 3.400) 12.225 8.507 ( 4.901 3.650 10.700) 12.322 8.761 ( 5.356 -1.691 15.542) 16.526 9.102 ( 0.012 3.079 2.544) 3.994 9.247 ( 6.421 11.609 5.469) 14.349 9.635 ( -5.872 5.434 -7.034) 10.653 10.020 ( 0.351 -1.995 -5.114) 5.500 10.169 ( 4.068 -3.773 -1.986) 5.893 10.319 ( -3.311 2.553 -0.208) 4.187 10.400 ( 4.555 5.251 -3.382) 7.731 10.491 ( 1.949 6.294 1.259) 6.708 11.346 ( -4.213 -0.231 2.096) 4.712 11.578 ( 5.091 0.170 4.877) 7.052 11.965 ( -1.816 -6.366 3.045) 7.287 12.099 ( -4.111 -2.811 -5.511) 7.428 12.437 ( -1.775 5.915 0.862) 6.235 12.808 ( -2.035 5.390 -4.343) 7.215 13.240 ( 1.324 1.240 -0.590) 1.907 13.704 ( -6.375 -6.569 0.849) 9.193 14.463 ( 12.245 7.227 -0.651) 14.233 15.510 ( 4.305 -1.375 4.302) 6.239 15.784 ( 0.246 -0.630 -3.682) 3.744 16.153 ( -2.907 -8.920 0.349) 9.388 16.381 ( -0.590 -3.070 -0.140) 3.129 16.477 ( 1.610 1.092 1.551) 2.488 16.801 ( -3.641 -0.528 -5.535) 6.646 17.075 ( 1.042 4.985 0.491) 5.116 17.251 ( 4.890 5.406 -2.559) 7.726 17.416 ( 3.322 9.236 -15.854) 18.646 18.113 ( -2.662 -2.961 24.684) 25.003 20.345 ( -6.747 -9.821 -5.494) 13.121 ======================= Grid point 13 (9/170) ======================= q-point: ( 0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 16.769 15.152 4.213) 22.990 1.147 ( 15.393 15.964 9.742) 24.221 1.880 ( 23.710 12.395 13.994) 30.193 2.369 ( -7.561 -0.302 -7.660) 10.767 2.428 ( -0.482 -5.749 -7.465) 9.435 2.566 ( 1.583 -0.834 15.189) 15.295 2.784 ( -1.663 -2.266 -2.304) 3.635 2.831 ( -5.458 7.775 -5.431) 10.942 3.113 ( -11.135 -0.291 -6.041) 12.672 3.267 ( -4.619 -3.284 1.132) 5.779 3.509 ( -2.282 -7.212 2.044) 7.836 3.858 ( -3.233 -5.552 1.302) 6.555 3.996 ( -5.323 1.245 -3.427) 6.452 4.041 ( -1.239 -1.461 7.821) 8.052 4.120 ( 2.038 -1.649 0.514) 2.671 4.266 ( -4.075 0.636 -0.785) 4.199 4.522 ( 5.380 6.995 1.756) 8.998 4.880 ( 1.860 -7.730 -0.197) 7.953 5.760 ( -15.650 1.056 -0.128) 15.687 6.185 ( -16.494 -5.311 -4.136) 17.815 6.636 ( -1.047 -9.378 -1.319) 9.528 6.777 ( 0.022 -0.078 -14.029) 14.029 6.985 ( -6.111 0.148 -5.493) 8.219 7.143 ( -3.207 -5.589 11.669) 13.330 7.438 ( -2.445 -3.108 -1.947) 4.408 7.700 ( -3.158 5.021 -0.307) 5.940 7.902 ( 0.260 -3.711 -1.102) 3.880 8.118 ( 9.159 -4.511 -5.295) 11.501 8.143 ( 7.044 -5.949 0.505) 9.234 8.358 ( 9.271 -3.326 2.355) 10.128 8.785 ( 7.851 -4.292 14.592) 17.117 8.919 ( -4.593 -4.519 5.596) 8.534 9.196 ( 5.515 7.491 8.770) 12.785 9.358 ( 0.361 7.454 1.783) 7.673 9.588 ( 5.834 12.197 0.327) 13.525 9.941 ( 0.274 -1.509 -8.249) 8.391 10.179 ( 4.159 -1.468 -7.939) 9.082 10.245 ( -0.450 6.294 -3.625) 7.278 10.463 ( 4.443 2.551 -0.767) 5.181 10.565 ( 3.407 4.224 3.910) 6.688 11.352 ( -0.625 -3.890 5.927) 7.117 11.716 ( 2.958 0.063 7.237) 7.819 11.907 ( -7.185 -2.420 -6.225) 9.810 11.961 ( -4.510 -6.568 0.205) 7.970 12.420 ( -1.656 10.153 2.139) 10.507 12.721 ( -0.328 6.263 -6.667) 9.153 13.241 ( 0.298 0.551 -2.027) 2.122 13.615 ( -5.364 -5.770 1.585) 8.036 14.706 ( 16.504 6.745 0.314) 17.832 15.627 ( 2.377 -2.276 3.444) 4.764 15.715 ( 0.143 3.013 -8.069) 8.615 16.107 ( -3.932 -13.057 1.803) 13.755 16.381 ( 0.410 -1.297 0.873) 1.616 16.568 ( 4.672 4.546 5.055) 8.249 16.653 ( -1.869 -4.627 -11.430) 12.472 17.050 ( -4.236 16.406 -0.448) 16.950 17.231 ( -0.296 5.903 -2.555) 6.439 17.446 ( 15.209 -3.068 -10.099) 18.513 18.355 ( -4.130 -3.248 27.073) 27.578 20.095 ( -12.263 -9.714 -10.208) 18.680 ======================= Grid point 14 (10/170) ======================= q-point: ( 0.27 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 11.424 10.230 0.758) 15.354 1.528 ( 15.776 7.926 10.296) 20.438 2.110 ( -9.832 1.380 -3.749) 10.612 2.162 ( -2.774 4.320 -8.621) 10.034 2.329 ( 4.097 -5.825 -4.589) 8.472 2.668 ( -7.442 4.040 -0.727) 8.499 2.704 ( -1.824 0.613 -3.443) 3.944 2.828 ( 0.172 -1.485 7.430) 7.579 2.911 ( -2.543 3.882 3.713) 5.943 3.186 ( -6.018 -3.646 -3.160) 7.713 3.520 ( -1.359 -5.117 4.158) 6.732 3.727 ( -6.995 -8.395 -5.637) 12.296 3.972 ( 2.505 3.096 3.069) 5.028 4.100 ( 2.888 -5.779 0.367) 6.471 4.155 ( -0.817 0.655 5.075) 5.182 4.284 ( 0.612 3.587 9.523) 10.194 4.621 ( 3.828 2.198 2.278) 4.968 4.927 ( 3.501 -7.335 0.290) 8.133 5.529 ( -12.049 1.932 0.536) 12.214 5.864 ( -16.464 -2.278 -3.429) 16.971 6.540 ( -3.514 -5.589 -9.231) 11.349 6.645 ( -0.120 -2.099 -6.958) 7.269 6.884 ( -2.213 2.758 -1.355) 3.787 7.228 ( -3.500 -5.304 11.164) 12.846 7.391 ( -0.394 -5.492 -0.653) 5.545 7.599 ( -6.360 4.863 -2.384) 8.353 7.923 ( 3.141 -8.779 -1.084) 9.386 8.195 ( 6.045 -2.021 -1.577) 6.567 8.262 ( 3.766 -10.393 1.873) 11.212 8.494 ( 5.916 0.360 -2.043) 6.269 8.829 ( -7.127 3.760 2.919) 8.571 9.009 ( 1.472 -5.972 9.716) 11.500 9.341 ( -2.930 7.165 -0.868) 7.789 9.426 ( 7.928 7.117 5.773) 12.118 9.669 ( 5.812 9.886 -3.515) 11.995 9.920 ( 4.641 -2.359 -1.879) 5.535 10.152 ( 3.254 3.070 -7.112) 8.402 10.253 ( 5.738 2.882 -2.250) 6.803 10.538 ( 5.156 3.399 0.035) 6.176 10.672 ( 3.251 2.174 4.829) 6.214 11.421 ( -0.984 -7.211 5.130) 8.904 11.675 ( -6.968 1.326 -7.030) 9.987 11.822 ( -5.108 -5.297 5.425) 9.142 11.905 ( -1.269 -4.141 3.119) 5.337 12.460 ( 3.427 14.655 3.882) 15.543 12.655 ( 1.120 8.232 -6.532) 10.568 13.200 ( -1.200 0.255 -4.060) 4.242 13.566 ( -3.344 -5.723 2.367) 7.038 15.002 ( 17.564 6.056 1.284) 18.623 15.568 ( -4.045 3.167 -5.653) 7.639 15.703 ( 2.365 -3.149 -2.137) 4.480 16.059 ( -4.243 -12.292 1.850) 13.134 16.412 ( 2.914 1.521 -0.981) 3.430 16.478 ( -2.501 -3.963 -11.043) 11.996 16.682 ( -0.521 12.854 1.158) 12.917 16.988 ( -3.900 14.495 4.560) 15.688 17.291 ( 7.909 -2.624 4.562) 9.500 17.595 ( 14.293 -3.986 -8.296) 17.001 18.564 ( -4.718 -4.400 22.919) 23.810 19.727 ( -15.586 -9.641 -13.421) 22.715 ======================= Grid point 15 (11/170) ======================= q-point: ( 0.36 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -2.781 7.940 -6.898) 10.879 1.766 ( -2.438 0.899 4.724) 5.392 1.955 ( 0.050 1.423 -11.575) 11.662 2.112 ( 10.917 2.740 5.432) 12.497 2.340 ( 2.915 -2.425 -3.339) 5.052 2.525 ( -7.824 0.391 -0.616) 7.858 2.609 ( -3.024 1.888 -5.154) 6.266 2.759 ( -9.617 4.498 5.521) 11.966 3.027 ( -2.788 -2.778 0.626) 3.985 3.050 ( -0.073 -1.452 -0.403) 1.509 3.477 ( -9.307 -5.269 -8.960) 13.953 3.561 ( -1.675 -4.241 2.197) 5.061 4.143 ( 7.456 -1.014 5.191) 9.141 4.176 ( 7.020 -4.602 1.539) 8.534 4.252 ( 1.691 2.053 9.802) 10.156 4.409 ( 1.064 3.837 8.337) 9.239 4.712 ( 3.661 -4.773 3.629) 7.025 4.987 ( 3.293 -7.788 -0.654) 8.481 5.373 ( -7.596 2.144 0.427) 7.905 5.575 ( -13.467 0.575 -3.126) 13.837 6.378 ( -2.624 -1.567 -8.385) 8.925 6.595 ( -0.317 -1.126 -2.336) 2.612 6.850 ( -1.428 3.119 -0.004) 3.430 7.248 ( -1.937 -0.583 2.598) 3.292 7.429 ( -1.134 -5.924 5.140) 7.924 7.466 ( -3.825 -0.786 -3.069) 4.967 7.968 ( 3.078 -13.129 -0.339) 13.489 8.216 ( -0.747 -14.340 -4.209) 14.964 8.348 ( 1.520 0.337 6.523) 6.707 8.521 ( 3.019 4.218 -4.051) 6.582 8.794 ( -1.962 7.991 3.273) 8.855 9.059 ( -1.906 3.093 0.168) 3.637 9.242 ( -5.459 6.098 -0.777) 8.221 9.529 ( 3.422 1.072 -1.757) 3.993 9.788 ( 8.257 7.066 1.064) 10.919 9.962 ( 1.838 1.130 -2.315) 3.165 10.143 ( 3.273 0.766 -4.260) 5.427 10.397 ( 10.418 -1.442 2.941) 10.921 10.623 ( 3.207 5.295 2.265) 6.592 10.781 ( 4.499 1.470 3.116) 5.667 11.320 ( -8.702 -2.054 -6.394) 10.992 11.597 ( -1.971 -6.941 3.956) 8.229 11.732 ( -5.074 -5.693 -0.672) 7.656 11.946 ( -2.161 1.955 4.732) 5.557 12.604 ( 0.542 9.290 -4.935) 10.533 12.624 ( 8.230 14.590 6.036) 17.805 13.118 ( -1.951 0.782 -5.013) 5.436 13.551 ( -1.857 -5.344 2.311) 6.111 15.288 ( 14.641 3.967 0.014) 15.169 15.449 ( -3.376 2.172 -3.705) 5.463 15.712 ( 1.979 -4.512 -0.859) 5.001 16.017 ( -3.277 -7.889 2.151) 8.809 16.324 ( -1.984 -3.033 -8.850) 9.563 16.434 ( 1.308 6.388 -4.702) 8.039 16.609 ( -5.643 14.736 1.515) 15.853 16.981 ( -3.288 11.162 3.099) 12.042 17.591 ( 14.117 -6.542 11.553) 19.379 17.721 ( 10.583 -4.216 -5.877) 12.818 18.707 ( -3.961 -5.376 15.307) 16.700 19.302 ( -15.885 -9.795 -14.231) 23.469 ======================= Grid point 16 (12/170) ======================= q-point: ( 0.45 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -1.413 7.657 -3.539) 8.553 1.718 ( -3.488 -0.198 0.046) 3.493 1.823 ( -2.465 3.303 -5.140) 6.589 2.327 ( 3.155 0.114 -2.365) 3.945 2.437 ( 2.312 -0.399 2.757) 3.620 2.484 ( 8.207 -3.723 7.597) 11.787 2.507 ( -3.024 0.436 -3.657) 4.766 2.715 ( -2.708 3.388 4.041) 5.928 2.905 ( -4.705 -2.461 -3.208) 6.203 3.038 ( -4.258 2.811 -3.023) 5.931 3.245 ( -4.379 -2.180 -4.135) 6.405 3.572 ( -0.222 -6.161 1.032) 6.250 4.251 ( 2.713 -4.867 2.569) 6.135 4.284 ( 2.534 -2.579 -1.086) 3.776 4.416 ( 3.150 4.692 6.858) 8.887 4.486 ( 0.271 2.497 2.730) 3.710 4.825 ( 4.041 -8.948 3.514) 10.428 5.002 ( 0.002 -10.879 -1.806) 11.028 5.287 ( -2.680 2.498 0.009) 3.663 5.373 ( -6.330 3.461 -1.629) 7.396 6.285 ( -0.862 0.681 -2.846) 3.051 6.573 ( -0.067 2.149 -0.985) 2.365 6.833 ( -0.827 2.422 0.293) 2.576 7.262 ( 1.460 2.753 0.824) 3.224 7.344 ( -4.148 3.284 -1.363) 5.463 7.497 ( 0.678 -14.276 2.022) 14.435 8.017 ( 2.296 -15.519 0.775) 15.707 8.131 ( -2.777 -14.998 -2.904) 15.527 8.418 ( -0.771 3.577 4.160) 5.540 8.523 ( 1.530 1.481 -2.462) 3.255 8.841 ( 3.570 12.838 3.312) 13.730 8.970 ( -4.464 13.367 -4.669) 14.847 9.181 ( -2.120 -1.862 0.792) 2.931 9.553 ( 1.507 -1.490 -0.936) 2.317 9.898 ( 3.415 6.764 0.381) 7.587 9.950 ( -0.079 2.261 -1.245) 2.583 10.149 ( 1.248 -0.471 -1.569) 2.059 10.574 ( 4.650 -1.243 1.419) 5.018 10.708 ( 1.949 3.719 5.477) 6.902 10.888 ( 6.982 0.365 -0.784) 7.035 11.096 ( -9.083 -1.801 -4.653) 10.363 11.594 ( -2.282 -10.344 1.828) 10.749 11.685 ( -0.475 0.351 0.021) 0.591 11.941 ( -1.509 3.441 1.129) 3.924 12.568 ( 0.021 8.946 -1.898) 9.145 12.797 ( 4.223 12.496 3.272) 13.590 13.046 ( -0.948 1.384 -2.483) 2.996 13.548 ( -0.759 -4.203 0.867) 4.358 15.383 ( -1.269 0.917 -1.089) 1.908 15.437 ( 4.238 -1.363 -1.379) 4.660 15.782 ( 5.209 -4.065 0.595) 6.635 15.997 ( -2.897 -1.388 2.984) 4.384 16.225 ( -0.943 -2.063 -3.539) 4.203 16.341 ( -2.792 11.066 -4.550) 12.286 16.592 ( -0.372 10.975 1.681) 11.109 16.957 ( -1.602 9.686 0.785) 9.849 17.779 ( 3.418 -5.462 -1.483) 6.612 17.944 ( 9.586 -5.460 7.329) 13.245 18.777 ( -1.647 -5.813 5.697) 8.304 18.936 ( -9.432 -10.538 -8.929) 16.725 ======================= Grid point 22 (13/170) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 0.000 22.915 0.000) 22.915 1.239 ( 0.000 26.327 0.000) 26.327 1.933 ( 0.000 40.001 0.000) 40.001 2.090 ( 0.000 -1.293 0.000) 1.293 2.510 ( 0.000 -2.483 0.000) 2.483 2.593 ( 0.000 -6.142 0.000) 6.142 2.852 ( 0.000 3.847 0.000) 3.847 2.944 ( 0.000 0.930 0.000) 0.930 3.306 ( 0.000 1.108 0.000) 1.108 3.361 ( 0.000 -9.106 0.000) 9.106 3.553 ( 0.000 -5.010 0.000) 5.010 3.800 ( 0.000 -2.107 0.000) 2.107 3.824 ( 0.000 -8.932 0.000) 8.932 4.213 ( 0.000 -9.826 0.000) 9.826 4.222 ( 0.000 5.752 0.000) 5.752 4.269 ( 0.000 4.124 0.000) 4.124 4.447 ( 0.000 4.544 0.000) 4.544 4.679 ( 0.000 -9.376 0.000) 9.376 6.072 ( 0.000 -5.143 0.000) 5.143 6.316 ( 0.000 -13.659 0.000) 13.659 6.440 ( 0.000 -7.565 0.000) 7.565 6.860 ( 0.000 -9.815 0.000) 9.815 7.093 ( 0.000 2.495 0.000) 2.495 7.222 ( 0.000 -4.860 0.000) 4.860 7.591 ( 0.000 0.538 0.000) 0.538 7.640 ( 0.000 -2.953 0.000) 2.953 7.806 ( 0.000 -4.640 0.000) 4.640 7.821 ( 0.000 -6.712 0.000) 6.712 7.914 ( 0.000 -5.604 0.000) 5.604 7.950 ( 0.000 -4.792 0.000) 4.792 8.557 ( 0.000 -0.868 0.000) 0.868 8.591 ( 0.000 3.719 0.000) 3.719 9.216 ( 0.000 8.733 0.000) 8.733 9.397 ( 0.000 11.799 0.000) 11.799 9.828 ( 0.000 3.707 0.000) 3.707 9.969 ( 0.000 -2.507 0.000) 2.507 10.079 ( 0.000 -1.918 0.000) 1.918 10.314 ( 0.000 -1.115 0.000) 1.115 10.553 ( 0.000 4.262 0.000) 4.262 10.603 ( 0.000 6.990 0.000) 6.990 11.459 ( 0.000 2.967 0.000) 2.967 11.486 ( 0.000 1.464 0.000) 1.464 11.817 ( 0.000 -7.491 0.000) 7.491 12.042 ( 0.000 -7.255 0.000) 7.255 12.582 ( 0.000 8.374 0.000) 8.374 13.015 ( 0.000 9.066 0.000) 9.066 13.240 ( 0.000 -0.983 0.000) 0.983 13.602 ( 0.000 -7.153 0.000) 7.153 14.578 ( 0.000 13.136 0.000) 13.136 15.433 ( 0.000 0.645 0.000) 0.645 15.658 ( 0.000 -11.042 0.000) 11.042 16.084 ( 0.000 -1.679 0.000) 1.679 16.307 ( 0.000 -4.210 0.000) 4.210 16.474 ( 0.000 0.681 0.000) 0.681 16.888 ( 0.000 -1.526 0.000) 1.526 16.991 ( 0.000 -3.538 0.000) 3.538 17.316 ( 0.000 5.454 0.000) 5.454 17.835 ( 0.000 -7.172 0.000) 7.172 17.993 ( 0.000 27.054 0.000) 27.054 20.139 ( 0.000 -17.792 0.000) 17.792 ======================= Grid point 23 (14/170) ======================= q-point: ( 0.09 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 11.739 19.467 6.611) 23.674 1.322 ( 7.885 24.081 3.023) 25.518 1.995 ( 5.874 31.602 2.316) 32.226 2.201 ( 8.784 -1.594 5.232) 10.348 2.434 ( -0.055 -1.755 -7.503) 7.706 2.654 ( -3.556 -3.167 6.710) 8.228 2.780 ( -4.797 3.407 -2.535) 6.406 2.953 ( -0.580 0.810 2.746) 2.921 3.252 ( -2.192 0.652 -4.849) 5.361 3.347 ( -2.350 -9.251 0.691) 9.569 3.407 ( -10.245 -6.084 -7.920) 14.307 3.776 ( -1.601 -5.768 0.078) 5.987 3.902 ( -0.270 -3.220 10.077) 10.583 4.132 ( -5.560 3.364 -2.988) 7.152 4.213 ( -0.771 -6.576 0.671) 6.654 4.237 ( -3.759 3.661 0.120) 5.249 4.531 ( 6.259 3.680 1.833) 7.489 4.678 ( 0.385 -9.109 -1.041) 9.177 5.978 ( -10.202 -3.343 -0.603) 10.752 6.237 ( -7.521 -12.318 -2.757) 14.694 6.449 ( 0.440 -7.538 0.790) 7.592 6.832 ( 1.200 -7.496 -5.506) 9.378 7.034 ( -6.459 -1.482 1.163) 6.728 7.084 ( -8.752 -5.728 -5.255) 11.706 7.525 ( -4.154 1.772 -0.832) 4.592 7.731 ( 1.119 -0.220 2.666) 2.900 7.807 ( 4.068 -10.047 -0.507) 10.851 7.870 ( 0.599 -3.967 -1.630) 4.331 7.998 ( 8.249 -5.887 -0.188) 10.137 8.018 ( 9.713 -3.703 2.120) 10.608 8.574 ( 1.921 2.202 6.639) 7.254 8.731 ( 5.861 -1.428 7.231) 9.417 9.223 ( 0.413 8.475 3.780) 9.288 9.464 ( 3.064 8.112 1.835) 8.863 9.771 ( -0.618 6.884 -2.529) 7.360 9.984 ( 3.494 -1.321 -5.872) 6.959 10.110 ( 5.021 -0.894 -1.904) 5.444 10.339 ( 0.637 -0.539 1.994) 2.162 10.542 ( 0.569 6.042 -2.038) 6.402 10.606 ( 0.295 4.602 0.324) 4.623 11.359 ( -6.189 1.558 0.483) 6.400 11.601 ( 5.307 1.937 4.085) 6.972 11.804 ( -4.253 -8.290 2.990) 9.785 12.008 ( -0.648 -5.550 -4.652) 7.271 12.600 ( 1.714 9.281 0.620) 9.458 12.954 ( -2.165 7.661 -5.289) 9.558 13.257 ( -0.922 -0.082 2.519) 2.684 13.559 ( -4.507 -6.161 0.575) 7.656 14.679 ( 11.078 12.815 -0.034) 16.939 15.481 ( 3.975 -1.112 1.393) 4.356 15.688 ( 1.844 -9.007 2.605) 9.556 16.036 ( -1.008 -0.807 -6.940) 7.060 16.322 ( 0.280 -3.531 2.575) 4.379 16.472 ( 0.783 -1.012 -0.102) 1.283 16.762 ( -5.342 -2.138 -8.040) 9.887 17.073 ( 7.474 -4.539 -2.138) 9.001 17.351 ( 3.831 5.699 0.178) 6.869 17.747 ( -2.762 12.515 -8.032) 15.125 18.104 ( -3.882 7.926 20.930) 22.715 20.052 ( -6.832 -17.676 -5.085) 19.621 ======================= Grid point 24 (15/170) ======================= q-point: ( 0.18 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 8.747 15.989 5.768) 19.116 1.546 ( 12.193 20.209 4.325) 23.995 2.153 ( 10.985 9.494 -2.250) 14.692 2.348 ( -3.323 2.195 -5.530) 6.815 2.400 ( 4.037 -0.361 -1.967) 4.506 2.572 ( -6.568 0.499 9.678) 11.706 2.720 ( -2.140 -0.557 -2.116) 3.061 2.966 ( -2.748 4.337 1.786) 5.436 3.124 ( -9.366 0.619 -4.927) 10.601 3.166 ( -3.326 -5.497 -3.484) 7.309 3.322 ( -2.169 -9.567 3.846) 10.537 3.711 ( -4.717 -7.116 -3.877) 9.376 4.005 ( -2.273 -0.601 4.343) 4.938 4.026 ( -3.454 0.082 4.593) 5.748 4.151 ( -4.001 4.189 -0.624) 5.826 4.242 ( -0.366 -2.504 6.254) 6.747 4.632 ( 2.778 1.740 -2.125) 3.907 4.680 ( 2.472 -9.517 1.231) 9.909 5.762 ( -13.320 -1.009 -0.804) 13.383 6.029 ( -12.274 -9.044 -3.642) 15.675 6.459 ( -0.063 -6.399 0.057) 6.399 6.754 ( -2.616 -2.651 -9.768) 10.454 6.906 ( -1.333 -5.933 -4.607) 7.629 6.991 ( -4.694 -8.062 6.978) 11.650 7.439 ( -3.672 2.100 -2.739) 5.039 7.714 ( -3.494 -3.929 0.804) 5.319 7.831 ( -3.523 -2.346 -0.025) 4.233 7.908 ( 6.806 -9.649 -1.659) 11.924 8.102 ( 6.596 -1.763 0.250) 6.833 8.261 ( 11.997 -5.363 2.837) 13.444 8.748 ( 4.265 0.593 12.387) 13.113 8.865 ( 1.263 -1.341 4.710) 5.058 9.353 ( 7.110 7.640 7.975) 13.135 9.492 ( 1.320 5.242 -1.312) 5.563 9.787 ( 4.139 4.488 -2.936) 6.775 9.948 ( 3.200 2.864 -10.370) 11.224 10.190 ( 7.194 2.929 -2.473) 8.151 10.356 ( 0.867 3.239 -1.875) 3.842 10.534 ( 0.720 3.985 0.038) 4.050 10.638 ( 1.707 2.404 2.700) 3.997 11.290 ( -4.116 -1.540 2.879) 5.254 11.721 ( -6.591 -8.879 0.320) 11.062 11.739 ( 1.823 0.748 6.457) 6.750 11.932 ( -1.216 -0.750 -4.852) 5.058 12.653 ( 3.891 11.510 0.943) 12.187 12.874 ( 0.222 7.292 -4.919) 8.799 13.245 ( -3.499 -0.506 2.109) 4.117 13.492 ( -4.282 -4.971 0.630) 6.591 14.907 ( 15.489 11.925 0.006) 19.548 15.556 ( 3.498 -4.451 -0.466) 5.680 15.759 ( 2.565 -1.849 1.620) 3.552 15.908 ( -3.541 -2.203 -7.658) 8.720 16.375 ( 1.830 -0.686 3.140) 3.699 16.524 ( 3.437 -5.265 -4.480) 7.721 16.604 ( 1.344 -1.983 -3.166) 3.970 17.163 ( 4.216 -4.161 0.559) 5.949 17.431 ( 6.732 4.306 -2.456) 8.360 17.587 ( -6.080 21.682 -6.759) 23.511 18.285 ( -5.354 -2.009 24.033) 24.704 19.807 ( -12.510 -17.391 -9.460) 23.419 ======================= Grid point 25 (16/170) ======================= q-point: ( 0.27 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 3.187 10.112 4.975) 11.712 1.777 ( 10.243 14.828 1.248) 18.065 2.150 ( -7.721 2.108 -8.280) 11.516 2.247 ( -9.709 2.113 -3.395) 10.500 2.262 ( 8.101 0.484 -8.200) 11.537 2.617 ( -5.256 -3.832 -3.750) 7.509 2.684 ( 0.278 -4.604 5.391) 7.095 2.926 ( -1.924 7.661 0.475) 7.914 3.029 ( -2.966 5.115 1.041) 6.004 3.080 ( -3.528 -4.442 -1.697) 5.921 3.384 ( -0.336 -7.142 8.518) 11.121 3.546 ( -6.705 -7.690 -6.034) 11.853 3.972 ( 1.040 -3.563 -0.926) 3.826 4.052 ( -1.642 2.445 3.079) 4.261 4.157 ( -0.420 -0.546 9.235) 9.261 4.357 ( 1.628 2.815 10.883) 11.359 4.603 ( -0.924 -4.603 -2.229) 5.197 4.757 ( 3.422 -7.487 0.288) 8.237 5.553 ( -10.547 0.050 -0.407) 10.555 5.778 ( -12.713 -5.807 -3.073) 14.311 6.433 ( -1.894 -3.422 -3.490) 5.242 6.602 ( -1.579 -2.274 -5.707) 6.343 6.880 ( 1.217 -2.846 -1.997) 3.684 7.042 ( -0.446 -12.240 7.550) 14.388 7.346 ( -3.140 1.647 -3.173) 4.758 7.648 ( -4.120 -1.404 -1.486) 4.599 7.774 ( -2.704 -3.600 0.193) 4.507 7.957 ( 2.285 -11.916 -3.504) 12.629 8.233 ( 4.350 0.070 6.451) 7.781 8.447 ( 8.168 -4.468 0.236) 9.313 8.907 ( -1.435 3.370 5.379) 6.508 8.939 ( 2.323 -0.439 10.144) 10.416 9.487 ( 0.924 5.881 -3.221) 6.769 9.577 ( 8.345 6.885 3.016) 11.231 9.817 ( 4.905 -1.397 -4.630) 6.888 9.886 ( 4.318 4.874 -7.844) 10.195 10.263 ( 4.703 5.522 -4.866) 8.734 10.317 ( 1.479 3.642 -4.837) 6.233 10.611 ( 4.214 3.285 5.181) 7.443 10.711 ( 2.180 1.310 4.256) 4.958 11.279 ( -2.545 -5.592 4.003) 7.333 11.551 ( -10.705 -9.910 -2.374) 14.779 11.779 ( -0.471 2.467 -2.980) 3.897 11.935 ( 1.151 2.678 5.478) 6.205 12.759 ( 6.885 13.449 2.013) 15.243 12.849 ( 1.955 8.715 -3.715) 9.673 13.201 ( -3.663 -0.379 0.934) 3.799 13.431 ( -4.008 -6.125 1.241) 7.424 15.170 ( 15.900 9.111 -0.888) 18.347 15.573 ( -0.603 -4.522 -1.030) 4.676 15.709 ( -0.539 5.396 -11.850) 13.032 15.864 ( -0.503 -4.944 6.433) 8.129 16.364 ( -1.333 -6.468 -9.948) 11.940 16.485 ( 5.819 5.226 -1.238) 7.919 16.822 ( 10.159 -1.681 10.398) 14.634 17.220 ( 1.225 -2.150 2.010) 3.188 17.389 ( -8.647 19.142 -1.487) 21.057 17.535 ( 10.055 1.836 -7.214) 12.510 18.448 ( -5.929 -6.328 21.103) 22.816 19.441 ( -16.118 -17.115 -12.510) 26.631 ======================= Grid point 26 (17/170) ======================= q-point: ( 0.36 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -6.624 8.196 -1.077) 10.593 1.813 ( -4.246 3.522 -1.500) 5.717 1.992 ( 0.123 2.187 -9.060) 9.321 2.193 ( 8.121 4.893 -2.118) 9.714 2.313 ( 3.415 -0.076 1.110) 3.591 2.490 ( -5.375 -3.143 -2.115) 6.576 2.651 ( -5.454 0.114 -0.619) 5.491 2.875 ( -6.719 6.763 1.992) 9.739 2.922 ( -3.744 -6.125 -5.162) 8.842 3.089 ( 2.502 4.769 1.711) 5.650 3.353 ( -7.414 -5.955 -6.125) 11.311 3.453 ( -2.810 -5.627 4.750) 7.882 4.019 ( 4.508 -6.464 1.299) 7.987 4.119 ( 4.413 -2.409 2.364) 5.555 4.311 ( 2.388 0.447 14.359) 14.563 4.497 ( 1.410 3.464 7.539) 8.415 4.579 ( 0.314 -5.564 0.191) 5.576 4.779 ( 0.228 -11.177 -2.082) 11.372 5.410 ( -6.070 1.069 -0.428) 6.178 5.554 ( -10.287 -2.782 -2.265) 10.894 6.336 ( -2.225 -1.953 -4.670) 5.529 6.591 ( 2.329 0.688 -0.202) 2.437 6.887 ( 0.739 -1.154 -0.299) 1.403 7.105 ( -0.259 -15.372 3.895) 15.860 7.286 ( -0.171 2.039 -1.459) 2.514 7.546 ( -5.458 2.459 -2.071) 6.335 7.754 ( -0.080 -6.051 -0.013) 6.052 7.916 ( -1.660 -12.289 -3.569) 12.904 8.374 ( 0.606 0.597 10.660) 10.693 8.535 ( 4.822 -1.964 -3.812) 6.453 8.963 ( 1.793 7.153 4.998) 8.908 9.047 ( -0.092 -0.207 6.024) 6.028 9.435 ( -2.153 7.501 -4.631) 9.074 9.602 ( 0.390 6.439 -7.237) 9.695 9.849 ( 4.410 -4.463 -3.356) 7.116 9.979 ( 7.561 3.932 0.980) 8.578 10.225 ( 1.942 5.605 -5.849) 8.330 10.379 ( 7.502 0.260 -0.580) 7.529 10.725 ( 2.197 3.919 4.020) 6.029 10.810 ( 3.166 1.103 5.334) 6.300 11.242 ( -6.358 -4.920 -2.520) 8.425 11.371 ( -6.374 -10.931 1.029) 12.696 11.743 ( 0.277 4.216 -2.034) 4.689 12.002 ( -0.498 2.735 4.239) 5.070 12.818 ( 0.465 10.230 -3.364) 10.779 12.929 ( 7.716 12.599 2.954) 15.066 13.140 ( -3.222 1.323 -1.601) 3.833 13.409 ( -1.652 -7.628 3.543) 8.571 15.361 ( 8.939 1.805 -4.917) 10.360 15.504 ( -4.660 1.836 -2.504) 5.600 15.638 ( 4.910 -0.782 -3.894) 6.315 15.964 ( 2.547 4.026 7.979) 9.293 16.234 ( -1.327 -5.221 -8.004) 9.648 16.583 ( 6.730 7.998 -2.321) 10.708 16.948 ( -4.738 15.455 0.313) 16.168 17.246 ( -4.641 10.432 2.835) 11.764 17.404 ( 9.669 -8.425 10.806) 16.770 17.625 ( 10.075 -3.234 -6.711) 12.530 18.556 ( -5.142 -8.775 14.649) 17.833 19.014 ( -16.818 -17.141 -13.610) 27.602 ======================= Grid point 27 (18/170) ======================= q-point: ( 0.45 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -2.398 10.096 -1.003) 10.426 1.730 ( -3.363 1.137 -0.352) 3.568 1.886 ( -1.828 2.776 -5.298) 6.254 2.314 ( 7.714 -1.395 -2.315) 8.174 2.405 ( -2.041 -2.163 1.757) 3.454 2.440 ( 4.284 -1.320 3.012) 5.400 2.538 ( -5.732 1.606 -1.162) 6.065 2.753 ( -5.304 1.029 -2.571) 5.984 2.909 ( 2.496 2.895 3.779) 5.375 3.099 ( -3.383 2.164 -5.138) 6.521 3.182 ( -2.620 -2.229 -1.099) 3.611 3.444 ( -1.483 -5.287 1.274) 5.637 4.122 ( 3.203 -6.320 3.232) 7.788 4.183 ( 1.640 -6.066 -1.181) 6.394 4.504 ( 2.772 -1.712 9.112) 9.677 4.552 ( 0.385 1.178 1.669) 2.079 4.621 ( 1.561 -4.094 1.314) 4.574 4.723 ( -2.290 -14.017 -3.422) 14.609 5.343 ( -1.486 2.322 -0.321) 2.775 5.405 ( -4.690 -0.437 -0.951) 4.806 6.280 ( -0.522 -1.240 -1.502) 2.017 6.631 ( 1.534 2.783 0.330) 3.194 6.891 ( -0.062 2.305 0.126) 2.309 7.120 ( -0.455 -18.415 0.535) 18.428 7.315 ( 3.279 1.165 0.950) 3.607 7.434 ( -4.892 4.302 -1.774) 6.752 7.762 ( 0.779 -7.522 -0.108) 7.563 7.851 ( -1.871 -11.006 -1.446) 11.257 8.475 ( -2.857 -0.311 10.229) 10.625 8.535 ( 3.613 1.279 -7.533) 8.452 9.055 ( 0.492 2.855 3.096) 4.240 9.119 ( 5.511 7.223 4.259) 10.034 9.297 ( -6.970 10.845 -5.812) 14.141 9.543 ( 0.550 0.650 -3.231) 3.341 9.875 ( 1.589 -6.807 -1.096) 7.075 10.067 ( 2.258 6.290 0.230) 6.687 10.213 ( 1.533 5.847 -2.506) 6.543 10.514 ( 5.739 -3.586 1.374) 6.905 10.784 ( 0.709 2.991 2.690) 4.085 10.912 ( 3.125 1.447 3.090) 4.627 11.052 ( -7.521 -1.834 -5.042) 9.239 11.344 ( -1.241 -12.373 1.573) 12.534 11.739 ( 0.429 4.758 -0.358) 4.791 12.018 ( -0.655 3.262 1.175) 3.528 12.787 ( -0.244 10.564 -1.513) 10.675 13.054 ( 3.283 10.404 1.492) 11.012 13.078 ( -1.460 1.440 -1.315) 2.436 13.435 ( -0.006 -6.050 2.110) 6.407 15.379 ( 1.455 -2.985 -3.282) 4.669 15.420 ( -2.195 2.597 -0.989) 3.541 15.716 ( 4.260 -2.160 -0.607) 4.815 16.089 ( 0.404 5.571 4.850) 7.398 16.168 ( 1.866 1.097 -1.974) 2.929 16.605 ( 0.366 13.680 -4.278) 14.338 16.862 ( -2.275 14.227 0.129) 14.408 17.202 ( -2.857 11.370 1.455) 11.813 17.631 ( 2.965 -7.398 2.019) 8.221 17.785 ( 10.872 -9.195 3.951) 14.777 18.596 ( -6.754 -13.531 4.150) 15.682 18.640 ( -6.444 -14.685 -7.639) 17.763 ======================= Grid point 33 (19/170) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 0.000 19.550 0.000) 19.550 1.735 ( 0.000 20.936 0.000) 20.936 2.022 ( 0.000 -6.070 0.000) 6.070 2.383 ( 0.000 -7.483 0.000) 7.483 2.591 ( 0.000 9.688 0.000) 9.688 2.692 ( 0.000 22.670 0.000) 22.670 2.947 ( 0.000 4.872 0.000) 4.872 2.999 ( 0.000 5.545 0.000) 5.545 3.172 ( 0.000 -8.030 0.000) 8.030 3.278 ( 0.000 -3.218 0.000) 3.218 3.394 ( 0.000 -9.546 0.000) 9.546 3.606 ( 0.000 -11.840 0.000) 11.840 3.770 ( 0.000 -0.049 0.000) 0.049 3.987 ( 0.000 -10.539 0.000) 10.539 4.335 ( 0.000 4.794 0.000) 4.794 4.375 ( 0.000 5.387 0.000) 5.387 4.494 ( 0.000 -0.594 0.000) 0.594 4.530 ( 0.000 -4.202 0.000) 4.202 5.954 ( 0.000 -4.929 0.000) 4.929 6.051 ( 0.000 -10.499 0.000) 10.499 6.350 ( 0.000 -0.425 0.000) 0.425 6.644 ( 0.000 -10.768 0.000) 10.768 7.117 ( 0.000 -0.127 0.000) 0.127 7.138 ( 0.000 -2.727 0.000) 2.727 7.559 ( 0.000 -2.818 0.000) 2.818 7.614 ( 0.000 2.016 0.000) 2.016 7.713 ( 0.000 -5.306 0.000) 5.306 7.741 ( 0.000 -1.768 0.000) 1.768 7.806 ( 0.000 -3.237 0.000) 3.237 7.850 ( 0.000 -4.581 0.000) 4.581 8.553 ( 0.000 0.578 0.000) 0.578 8.608 ( 0.000 -1.035 0.000) 1.035 9.428 ( 0.000 10.075 0.000) 10.075 9.591 ( 0.000 5.720 0.000) 5.720 9.902 ( 0.000 2.685 0.000) 2.685 9.922 ( 0.000 -1.617 0.000) 1.617 10.077 ( 0.000 1.820 0.000) 1.820 10.254 ( 0.000 -4.592 0.000) 4.592 10.628 ( 0.000 2.851 0.000) 2.851 10.685 ( 0.000 1.058 0.000) 1.058 11.523 ( 0.000 2.099 0.000) 2.099 11.558 ( 0.000 6.419 0.000) 6.419 11.674 ( 0.000 -5.776 0.000) 5.776 11.878 ( 0.000 -8.062 0.000) 8.062 12.786 ( 0.000 10.621 0.000) 10.621 13.167 ( 0.000 -5.964 0.000) 5.964 13.205 ( 0.000 8.546 0.000) 8.546 13.478 ( 0.000 -5.127 0.000) 5.127 14.871 ( 0.000 13.853 0.000) 13.853 15.395 ( 0.000 -12.767 0.000) 12.767 15.501 ( 0.000 6.560 0.000) 6.560 15.975 ( 0.000 -10.491 0.000) 10.491 16.301 ( 0.000 4.458 0.000) 4.458 16.476 ( 0.000 -0.943 0.000) 0.943 16.848 ( 0.000 -1.617 0.000) 1.617 16.904 ( 0.000 -4.264 0.000) 4.264 17.431 ( 0.000 5.520 0.000) 5.520 17.683 ( 0.000 -6.924 0.000) 6.924 18.590 ( 0.000 28.840 0.000) 28.840 19.704 ( 0.000 -23.247 0.000) 23.247 ======================= Grid point 34 (20/170) ======================= q-point: ( 0.09 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 8.974 18.064 5.092) 20.803 1.771 ( 4.470 18.212 0.588) 18.762 2.132 ( 7.942 -5.123 6.086) 11.241 2.381 ( -1.029 -7.371 -1.310) 7.556 2.469 ( -0.859 14.686 -10.417) 18.026 2.727 ( -5.358 10.485 3.937) 12.415 2.886 ( -4.139 4.059 -0.378) 5.810 3.025 ( -0.632 6.306 2.849) 6.948 3.138 ( -2.685 -9.419 -5.560) 11.262 3.190 ( -5.200 -6.640 -4.514) 9.566 3.282 ( -3.728 -3.043 -4.507) 6.593 3.632 ( -0.681 -7.758 0.689) 7.818 3.865 ( 0.959 -0.305 12.166) 12.208 4.027 ( 1.095 -8.514 6.447) 10.735 4.226 ( -6.682 5.163 -4.060) 9.370 4.356 ( -3.885 5.485 -0.258) 6.726 4.475 ( -1.044 -5.805 1.125) 6.004 4.589 ( 3.157 -2.044 0.483) 3.792 5.893 ( -6.617 -3.802 -1.178) 7.722 5.995 ( -5.257 -9.700 -2.155) 11.241 6.360 ( 0.703 -0.305 0.979) 1.243 6.641 ( 2.139 -10.111 -2.764) 10.698 6.988 ( -10.548 -2.357 -4.633) 11.759 7.007 ( -8.923 -2.002 -1.512) 9.269 7.558 ( -2.505 0.705 -0.659) 2.685 7.613 ( -1.819 -5.834 0.104) 6.112 7.738 ( 4.675 0.313 0.378) 4.701 7.797 ( -0.277 -2.535 0.575) 2.614 7.895 ( 10.660 -3.744 3.629) 11.867 7.932 ( 8.187 -4.348 0.683) 9.295 8.612 ( 3.948 1.776 5.354) 6.885 8.694 ( 6.258 -1.979 3.456) 7.418 9.423 ( -0.168 9.383 2.116) 9.620 9.583 ( -0.695 3.134 -0.613) 3.269 9.868 ( 0.252 2.263 -3.806) 4.435 9.967 ( 6.141 -0.817 -4.793) 7.832 10.143 ( 6.882 3.672 1.134) 7.882 10.300 ( 3.125 -2.942 2.265) 4.853 10.626 ( -0.196 2.445 0.170) 2.459 10.666 ( -1.458 0.932 -0.817) 1.914 11.418 ( -7.558 3.988 0.326) 8.552 11.642 ( -6.044 -6.810 2.772) 9.518 11.663 ( 5.915 3.904 2.422) 7.490 11.883 ( 2.859 -6.057 -3.142) 7.398 12.806 ( 2.708 9.831 -0.432) 10.206 13.068 ( -2.477 1.036 -6.209) 6.765 13.257 ( -2.325 2.079 5.598) 6.409 13.454 ( -3.041 -4.424 1.029) 5.466 14.964 ( 10.687 13.290 -0.595) 17.065 15.412 ( 4.885 -8.647 -4.408) 10.866 15.563 ( 1.424 2.667 8.228) 8.765 15.979 ( 1.666 -8.231 -2.079) 8.652 16.288 ( 1.460 2.853 -4.156) 5.248 16.453 ( -0.634 -1.288 -1.764) 2.275 16.734 ( -4.367 0.063 -8.562) 9.612 16.934 ( 4.548 -7.781 -3.399) 9.632 17.488 ( 1.801 6.956 6.078) 9.411 17.762 ( 0.822 -5.142 10.290) 11.533 18.538 ( -6.670 26.763 1.133) 27.605 19.622 ( -6.948 -23.002 -4.294) 24.409 ======================= Grid point 35 (21/170) ======================= q-point: ( 0.18 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 4.170 15.889 3.952) 16.896 1.922 ( 10.482 14.199 3.488) 17.990 2.275 ( -1.020 1.030 -7.708) 7.843 2.368 ( 9.214 -3.366 4.860) 10.947 2.385 ( -1.393 2.024 -6.859) 7.286 2.575 ( -11.751 3.911 -1.412) 12.465 2.759 ( -10.420 -0.419 -5.562) 11.819 2.972 ( -1.763 -11.496 -6.723) 13.434 3.026 ( -1.060 0.018 1.692) 1.997 3.149 ( -3.362 -5.925 5.314) 8.640 3.232 ( -0.394 9.452 1.878) 9.645 3.584 ( -3.551 -5.389 -3.214) 7.209 3.994 ( -0.582 0.683 8.892) 8.937 4.056 ( -6.745 2.186 -0.905) 7.148 4.196 ( 2.941 -0.770 12.797) 13.153 4.259 ( -5.680 5.119 -1.362) 7.767 4.475 ( -1.357 -7.646 2.181) 8.066 4.616 ( 0.404 -4.691 -0.752) 4.768 5.724 ( -10.313 -1.963 -2.311) 10.750 5.838 ( -9.066 -8.177 -3.693) 12.755 6.396 ( 2.023 0.678 1.068) 2.387 6.653 ( -0.099 -7.515 -2.344) 7.873 6.786 ( -3.414 -3.537 -4.883) 6.929 6.856 ( -7.244 -4.719 -0.485) 8.660 7.482 ( -2.641 1.508 -3.443) 4.593 7.589 ( -2.103 -6.022 1.444) 6.540 7.773 ( 0.546 -1.978 -2.715) 3.404 7.803 ( -0.482 -1.875 1.421) 2.402 8.065 ( 7.450 -1.249 3.672) 8.399 8.150 ( 9.941 -4.868 5.055) 12.168 8.782 ( 5.846 1.978 8.495) 10.500 8.842 ( 5.462 -1.015 4.183) 6.954 9.506 ( 5.680 6.264 4.253) 9.465 9.580 ( 1.864 3.001 -1.220) 3.738 9.826 ( 2.742 1.815 -7.771) 8.439 9.988 ( 5.998 -0.842 -9.431) 11.209 10.281 ( 6.721 4.607 -0.428) 8.159 10.383 ( 4.566 -0.114 0.228) 4.573 10.607 ( -1.915 2.649 0.914) 3.394 10.663 ( 0.368 0.129 3.038) 3.063 11.302 ( -7.029 2.660 0.959) 7.577 11.533 ( -9.358 -7.926 0.992) 12.304 11.790 ( 5.033 3.003 2.882) 6.531 11.904 ( 3.063 -1.821 -1.473) 3.856 12.868 ( 5.410 8.168 -0.319) 9.803 12.991 ( 0.328 3.048 -3.397) 4.576 13.238 ( -6.352 1.252 4.799) 8.059 13.410 ( -3.541 -3.590 0.450) 5.063 15.165 ( 14.184 11.194 -2.801) 18.285 15.449 ( 5.092 -5.473 -4.343) 8.646 15.701 ( 2.086 0.893 9.753) 10.014 15.961 ( 1.790 1.317 -7.567) 7.887 16.280 ( 2.604 -5.048 -3.506) 6.675 16.449 ( 3.715 -5.062 -1.673) 6.498 16.598 ( 0.681 4.454 -5.885) 7.412 16.988 ( 5.437 -10.699 -1.649) 12.114 17.593 ( 1.140 9.300 7.085) 11.747 17.874 ( -0.403 1.795 5.993) 6.269 18.417 ( -11.764 17.662 6.391) 22.163 19.386 ( -12.852 -22.328 -7.958) 26.964 ======================= Grid point 36 (22/170) ======================= q-point: ( 0.27 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( -3.576 10.252 3.573) 11.430 2.071 ( 0.987 10.917 -5.462) 12.247 2.154 ( -4.405 -1.984 -4.391) 6.528 2.285 ( 1.166 2.737 -2.679) 4.003 2.344 ( -2.731 6.639 -8.594) 11.198 2.533 ( -6.975 -3.629 -4.300) 8.961 2.569 ( 3.017 -5.851 5.125) 8.343 2.869 ( -0.732 -10.329 -8.499) 13.396 3.060 ( -0.845 2.312 3.014) 3.891 3.161 ( -2.720 0.323 6.086) 6.674 3.292 ( 0.300 2.111 7.019) 7.335 3.442 ( -6.080 -2.445 -6.732) 9.395 3.939 ( -2.757 0.978 -1.462) 3.271 4.072 ( -2.699 -1.913 5.692) 6.583 4.186 ( -2.728 5.248 3.474) 6.860 4.397 ( 2.362 1.233 12.843) 13.116 4.488 ( -0.760 -4.570 4.311) 6.329 4.593 ( -1.550 -9.275 -1.249) 9.486 5.536 ( -8.469 -1.074 -2.024) 8.773 5.640 ( -9.121 -6.504 -3.540) 11.748 6.414 ( -1.829 1.521 -2.065) 3.150 6.563 ( -1.536 -1.539 -1.017) 2.400 6.761 ( -3.520 -8.134 0.322) 8.869 6.821 ( 6.941 -6.594 -2.110) 9.804 7.406 ( -2.574 3.216 -2.283) 4.709 7.572 ( -1.301 -4.548 0.139) 4.733 7.736 ( -1.541 -1.554 -1.445) 2.623 7.788 ( -1.807 -3.614 -0.486) 4.070 8.231 ( 4.301 0.235 8.087) 9.163 8.342 ( 6.507 -4.903 4.666) 9.388 8.958 ( 2.983 1.670 8.072) 8.766 8.963 ( 4.581 1.587 3.881) 6.210 9.579 ( 2.537 3.011 -5.413) 6.694 9.671 ( 6.217 0.211 1.276) 6.350 9.804 ( 5.599 3.893 -6.952) 9.738 9.970 ( 4.997 1.168 -8.470) 9.903 10.348 ( 5.038 2.987 -3.213) 6.681 10.390 ( 0.514 2.192 -5.762) 6.186 10.669 ( 2.764 2.176 7.374) 8.170 10.723 ( 1.476 -0.176 4.259) 4.511 11.213 ( -5.483 -0.482 1.702) 5.761 11.368 ( -9.774 -7.188 -1.300) 12.202 11.854 ( 2.353 4.241 -1.955) 5.229 11.969 ( 2.472 0.186 3.734) 4.482 12.972 ( 5.232 4.834 0.493) 7.140 13.008 ( 5.300 6.970 -1.314) 8.854 13.184 ( -6.227 -0.044 5.664) 8.418 13.336 ( -4.790 -3.216 -1.365) 5.928 15.329 ( 10.307 4.984 -5.421) 12.667 15.471 ( 2.910 -4.413 -3.675) 6.438 15.794 ( -0.582 4.807 -2.195) 5.316 15.941 ( 5.039 8.705 3.330) 10.595 16.226 ( 0.483 -5.193 -9.110) 10.497 16.593 ( 10.253 -2.099 1.755) 10.611 16.681 ( 10.242 -2.536 5.928) 12.103 17.071 ( 5.769 -10.379 -0.594) 11.889 17.669 ( -0.513 11.009 5.280) 12.220 17.825 ( -5.347 15.608 -6.490) 17.729 18.342 ( -11.128 -0.788 14.964) 18.664 19.031 ( -16.866 -21.398 -10.473) 29.190 ======================= Grid point 37 (23/170) ======================= q-point: ( 0.36 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -8.189 6.502 3.161) 10.924 1.884 ( -8.098 1.967 -4.299) 9.377 2.051 ( -0.063 3.487 -8.448) 9.139 2.254 ( 1.237 -2.224 -8.199) 8.584 2.370 ( 3.179 6.766 4.993) 8.990 2.435 ( -1.359 0.330 -2.628) 2.977 2.603 ( -2.318 -4.228 0.146) 4.824 2.779 ( -0.451 -7.869 -4.595) 9.123 3.018 ( -4.394 5.990 -0.639) 7.457 3.193 ( -1.099 1.585 4.268) 4.684 3.266 ( -4.669 -0.024 -7.033) 8.442 3.355 ( -2.033 -2.919 5.169) 6.275 3.935 ( 2.693 -0.966 0.816) 2.975 4.086 ( -0.132 -1.582 2.153) 2.676 4.215 ( -0.871 -5.233 5.009) 7.296 4.493 ( -3.672 -8.404 1.596) 9.309 4.550 ( 0.702 0.793 6.105) 6.196 4.596 ( 1.554 -1.200 6.156) 6.461 5.413 ( -4.238 -0.579 -1.152) 4.430 5.474 ( -6.595 -4.070 -2.295) 8.082 6.321 ( -3.150 1.171 -3.060) 4.545 6.583 ( 0.350 -5.008 1.744) 5.315 6.756 ( 2.661 -4.598 0.734) 5.363 6.907 ( 5.125 -5.144 -1.693) 7.456 7.348 ( -1.938 3.544 -1.129) 4.194 7.539 ( -1.981 -3.095 -1.573) 3.997 7.703 ( -0.612 -0.923 -0.984) 1.482 7.742 ( -3.102 -3.174 0.182) 4.442 8.376 ( 0.511 0.123 9.880) 9.894 8.467 ( 3.817 -3.846 2.243) 5.865 9.064 ( 2.124 3.375 4.787) 6.231 9.096 ( 4.852 3.152 5.442) 7.943 9.528 ( 0.546 2.565 -7.250) 7.710 9.677 ( 0.060 -4.346 -7.496) 8.665 9.817 ( 2.036 6.574 -5.493) 8.806 10.023 ( 7.289 -0.569 -1.211) 7.411 10.338 ( 1.819 4.820 -3.982) 6.511 10.408 ( 5.239 1.679 -2.145) 5.905 10.778 ( 1.914 1.265 3.477) 4.165 10.817 ( 2.717 -0.582 6.599) 7.160 11.149 ( -4.428 -3.146 0.251) 5.438 11.196 ( -8.027 -5.524 -1.607) 9.876 11.860 ( 1.237 6.274 -1.540) 6.577 12.032 ( 0.643 -0.338 2.471) 2.576 12.998 ( -0.340 6.543 -0.850) 6.607 13.119 ( 5.694 5.803 -0.411) 8.140 13.179 ( -2.163 1.690 2.755) 3.889 13.255 ( -1.978 -6.354 1.984) 6.944 15.374 ( 3.584 0.636 -5.975) 6.996 15.480 ( 1.327 -3.132 -1.391) 3.675 15.721 ( 0.665 7.345 -5.666) 9.300 16.058 ( -0.809 -4.970 -1.376) 5.220 16.234 ( 9.374 13.674 4.388) 17.150 16.762 ( 10.282 8.469 -1.179) 13.373 17.012 ( 13.943 -13.873 11.308) 22.688 17.149 ( 3.649 -5.516 -0.198) 6.616 17.599 ( -10.323 17.019 -5.052) 20.536 17.704 ( 1.305 10.572 -1.576) 10.768 18.351 ( -7.965 -10.218 13.086) 18.414 18.612 ( -17.920 -20.336 -11.432) 29.417 ======================= Grid point 38 (24/170) ======================= q-point: ( 0.45 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -2.654 7.424 2.615) 8.307 1.759 ( -3.587 1.456 -1.002) 3.999 1.957 ( -0.950 4.344 -5.709) 7.236 2.226 ( 2.288 -6.886 -2.102) 7.554 2.385 ( -1.149 0.525 -1.301) 1.813 2.458 ( 1.830 4.393 1.907) 5.126 2.534 ( -3.571 -2.549 -0.932) 4.485 2.747 ( -0.320 -3.541 -1.269) 3.776 2.982 ( 0.348 3.575 2.217) 4.221 3.105 ( -4.554 1.090 -4.911) 6.786 3.233 ( 0.546 4.563 0.819) 4.668 3.357 ( -1.283 -3.076 1.424) 3.624 4.017 ( 3.446 -3.158 2.535) 5.317 4.087 ( -0.823 -1.785 -1.334) 2.376 4.274 ( 1.913 -11.808 3.906) 12.584 4.402 ( -4.451 -12.783 -2.346) 13.738 4.636 ( 0.843 2.963 4.486) 5.442 4.670 ( 0.723 2.060 1.971) 2.942 5.363 ( -0.919 -0.667 -0.515) 1.247 5.379 ( -2.670 -1.279 -0.673) 3.036 6.266 ( -0.874 1.228 -0.944) 1.779 6.595 ( -0.234 -9.720 0.795) 9.755 6.835 ( 3.647 -1.635 1.411) 4.238 6.936 ( 0.481 -1.351 -1.437) 2.030 7.322 ( -0.154 1.169 -0.348) 1.230 7.483 ( -1.854 -1.470 -1.270) 2.686 7.692 ( 0.691 -1.841 -1.549) 2.504 7.705 ( -2.142 -0.853 1.483) 2.741 8.453 ( -1.065 -0.630 4.561) 4.726 8.525 ( 1.666 -2.482 0.246) 3.000 9.126 ( 0.781 5.933 1.870) 6.269 9.266 ( 6.220 4.745 7.438) 10.795 9.448 ( -2.359 2.456 -5.442) 6.419 9.550 ( -2.598 -3.045 -6.933) 8.005 9.790 ( 0.484 3.202 -2.056) 3.835 10.104 ( 2.783 -3.511 -0.434) 4.501 10.347 ( 1.727 6.318 -1.283) 6.675 10.470 ( 2.991 -0.359 -0.203) 3.019 10.830 ( 0.892 1.726 1.792) 2.643 10.927 ( 2.591 -0.556 4.512) 5.233 11.030 ( -4.798 -0.501 -3.581) 6.008 11.119 ( -2.372 -7.984 0.330) 8.335 11.865 ( 0.471 6.631 -0.359) 6.657 12.052 ( -0.063 -0.529 0.634) 0.829 12.980 ( -0.667 7.498 0.023) 7.528 13.105 ( -1.623 1.141 -1.918) 2.759 13.199 ( 1.302 3.371 0.872) 3.718 13.312 ( 1.597 -5.236 2.408) 5.980 15.360 ( 1.139 1.470 -2.504) 3.119 15.465 ( -0.945 0.386 -0.591) 1.179 15.712 ( 1.991 2.819 -1.617) 3.811 15.999 ( -1.497 -7.360 -1.818) 7.727 16.461 ( 6.661 18.969 5.219) 20.770 16.894 ( 6.283 13.536 -1.045) 14.960 17.158 ( -1.941 9.218 -1.970) 9.624 17.227 ( 0.130 -8.040 1.310) 8.147 17.543 ( 4.957 -5.328 9.799) 12.206 17.693 ( 1.983 7.458 -6.431) 10.045 18.208 ( -13.967 -18.802 -5.421) 24.041 18.376 ( -2.342 -13.130 3.172) 13.710 ======================= Grid point 44 (25/170) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 0.000 -13.666 0.000) 13.666 1.815 ( 0.000 13.666 0.000) 13.666 2.121 ( 0.000 -15.896 0.000) 15.896 2.121 ( 0.000 15.896 0.000) 15.896 2.830 ( 0.000 -9.236 0.000) 9.236 2.830 ( 0.000 9.236 0.000) 9.236 3.027 ( 0.000 -1.816 0.000) 1.816 3.027 ( 0.000 1.816 0.000) 1.816 3.237 ( 0.000 -2.109 0.000) 2.109 3.237 ( 0.000 2.109 0.000) 2.109 3.311 ( 0.000 -16.070 0.000) 16.070 3.311 ( 0.000 16.070 0.000) 16.070 3.818 ( 0.000 -5.044 0.000) 5.044 3.818 ( 0.000 5.045 0.000) 5.045 4.432 ( 0.000 -4.439 0.000) 4.439 4.432 ( 0.000 4.439 0.000) 4.439 4.468 ( 0.000 -3.085 0.000) 3.085 4.468 ( 0.000 3.085 0.000) 3.085 5.915 ( 0.000 -2.068 0.000) 2.068 5.915 ( 0.000 2.068 0.000) 2.068 6.434 ( 0.000 -8.077 0.000) 8.077 6.434 ( 0.000 8.078 0.000) 8.078 7.110 ( 0.000 -0.107 0.000) 0.107 7.110 ( 0.000 0.107 0.000) 0.107 7.581 ( 0.000 -4.434 0.000) 4.434 7.581 ( 0.000 4.434 0.000) 4.434 7.690 ( 0.000 -3.306 0.000) 3.306 7.690 ( 0.000 3.306 0.000) 3.306 7.787 ( 0.000 -1.006 0.000) 1.006 7.787 ( 0.000 1.006 0.000) 1.006 8.577 ( 0.000 -1.567 0.000) 1.567 8.577 ( 0.000 1.567 0.000) 1.567 9.596 ( 0.000 -4.995 0.000) 4.995 9.596 ( 0.000 4.995 0.000) 4.995 9.921 ( 0.000 -0.689 0.000) 0.689 9.921 ( 0.000 0.689 0.000) 0.689 10.147 ( 0.000 -4.735 0.000) 4.735 10.147 ( 0.000 4.735 0.000) 4.735 10.674 ( 0.000 -1.582 0.000) 1.582 10.674 ( 0.000 1.582 0.000) 1.582 11.579 ( 0.000 -3.414 0.000) 3.414 11.579 ( 0.000 3.414 0.000) 3.414 11.711 ( 0.000 -7.808 0.000) 7.808 11.711 ( 0.000 7.808 0.000) 7.808 13.002 ( 0.000 -9.466 0.000) 9.466 13.002 ( 0.000 9.466 0.000) 9.466 13.362 ( 0.000 -6.378 0.000) 6.378 13.362 ( 0.000 6.378 0.000) 6.378 15.139 ( 0.000 -11.967 0.000) 11.967 15.139 ( 0.000 11.967 0.000) 11.967 15.712 ( 0.000 -12.783 0.000) 12.783 15.712 ( 0.000 12.783 0.000) 12.783 16.416 ( 0.000 -4.888 0.000) 4.888 16.416 ( 0.000 4.888 0.000) 4.888 16.841 ( 0.000 -1.298 0.000) 1.298 16.841 ( 0.000 1.298 0.000) 1.298 17.550 ( 0.000 -5.892 0.000) 5.892 17.550 ( 0.000 5.892 0.000) 5.892 19.177 ( 0.000 -26.845 0.000) 26.845 19.177 ( 0.000 26.845 0.000) 26.845 ======================= Grid point 46 (26/170) ======================= q-point: ( 0.09 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 7.567 -11.114 2.860) 13.746 1.904 ( 7.567 11.115 2.860) 13.747 2.150 ( 1.600 -12.468 2.388) 12.795 2.150 ( 1.600 12.468 2.388) 12.795 2.779 ( -1.091 -12.952 -8.421) 15.487 2.779 ( -1.091 12.952 -8.421) 15.488 2.925 ( -9.384 -3.310 -1.680) 10.091 2.925 ( -9.384 3.310 -1.680) 10.091 3.101 ( -4.783 -0.919 -3.790) 6.171 3.101 ( -4.783 0.919 -3.790) 6.171 3.426 ( 2.779 -12.055 2.766) 12.676 3.426 ( 2.779 12.055 2.766) 12.676 3.897 ( 1.648 -3.631 11.208) 11.896 3.897 ( 1.648 3.631 11.208) 11.896 4.336 ( -4.685 -5.069 -4.180) 8.070 4.336 ( -4.685 5.069 -4.180) 8.070 4.503 ( -1.178 -5.517 2.556) 6.193 4.503 ( -1.178 5.517 2.556) 6.193 5.867 ( -4.785 -2.191 -1.767) 5.551 5.867 ( -4.785 2.191 -1.767) 5.552 6.442 ( 1.730 -7.678 -0.580) 7.892 6.442 ( 1.730 7.678 -0.580) 7.892 6.973 ( -10.351 -0.837 -3.055) 10.825 6.973 ( -10.351 0.837 -3.055) 10.825 7.558 ( -2.183 -1.068 -1.544) 2.879 7.558 ( -2.183 1.068 -1.544) 2.879 7.761 ( 2.309 -1.795 1.988) 3.536 7.761 ( 2.309 1.795 1.988) 3.536 7.863 ( 9.297 -1.378 1.965) 9.602 7.863 ( 9.297 1.378 1.965) 9.602 8.652 ( 5.747 -1.993 3.822) 7.184 8.652 ( 5.747 1.994 3.822) 7.184 9.574 ( -1.109 -4.257 0.060) 4.400 9.574 ( -1.109 4.257 0.060) 4.400 9.921 ( 2.857 -3.145 -4.823) 6.427 9.921 ( 2.857 3.145 -4.823) 6.427 10.228 ( 6.569 -3.845 2.545) 8.026 10.228 ( 6.569 3.845 2.545) 8.026 10.661 ( -1.321 -1.039 -0.082) 1.682 10.661 ( -1.321 1.039 -0.082) 1.683 11.516 ( -7.461 -5.270 1.663) 9.285 11.516 ( -7.461 5.270 1.663) 9.285 11.762 ( 5.363 -5.380 -0.559) 7.617 11.762 ( 5.363 5.380 -0.559) 7.617 12.988 ( 0.319 -7.081 -2.206) 7.424 12.988 ( 0.319 7.081 -2.206) 7.424 13.352 ( -2.951 -5.377 2.522) 6.631 13.352 ( -2.951 5.377 2.522) 6.631 15.208 ( 8.395 -10.165 -1.462) 13.264 15.208 ( 8.395 10.165 -1.462) 13.264 15.739 ( 1.288 -12.066 3.211) 12.552 15.739 ( 1.288 12.066 3.211) 12.552 16.391 ( 0.968 -4.816 -6.224) 7.929 16.391 ( 0.968 4.816 -6.225) 7.929 16.788 ( -1.001 -5.230 -4.877) 7.220 16.788 ( -1.001 5.230 -4.877) 7.221 17.633 ( 1.581 -6.722 10.193) 12.312 17.633 ( 1.581 6.722 10.193) 12.312 19.102 ( -6.973 -26.255 -2.814) 27.311 19.102 ( -6.973 26.256 -2.814) 27.311 ======================= Grid point 48 (27/170) ======================= q-point: ( 0.18 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 3.787 -7.866 1.642) 8.884 2.052 ( 3.787 7.867 1.642) 8.884 2.221 ( 4.523 -3.452 1.650) 5.924 2.221 ( 4.523 3.452 1.650) 5.924 2.607 ( -6.639 -10.337 -9.089) 15.282 2.607 ( -6.639 10.337 -9.089) 15.282 2.740 ( -6.678 -7.303 -5.290) 11.221 2.740 ( -6.677 7.303 -5.290) 11.221 3.046 ( -1.503 -3.196 3.698) 5.113 3.046 ( -1.503 3.196 3.698) 5.113 3.445 ( -1.393 -8.563 -0.306) 8.681 3.445 ( -1.393 8.563 -0.306) 8.681 4.047 ( -1.757 -3.066 7.894) 8.649 4.047 ( -1.757 3.066 7.894) 8.649 4.252 ( -0.663 -5.235 3.674) 6.430 4.252 ( -0.663 5.236 3.674) 6.430 4.474 ( -4.462 -7.104 1.069) 8.457 4.474 ( -4.462 7.105 1.069) 8.457 5.721 ( -8.396 -2.524 -3.555) 9.460 5.721 ( -8.396 2.524 -3.555) 9.460 6.483 ( 2.920 -7.103 0.192) 7.683 6.483 ( 2.920 7.104 0.192) 7.683 6.780 ( -7.322 -2.228 -3.337) 8.349 6.780 ( -7.322 2.228 -3.337) 8.349 7.509 ( -1.102 -1.816 -1.782) 2.773 7.509 ( -1.102 1.817 -1.782) 2.773 7.771 ( -0.994 -1.104 -0.339) 1.524 7.771 ( -0.994 1.104 -0.339) 1.524 8.072 ( 8.643 -2.194 5.657) 10.560 8.072 ( 8.643 2.194 5.657) 10.560 8.818 ( 6.804 -1.405 5.528) 8.879 8.818 ( 6.804 1.405 5.528) 8.879 9.593 ( 3.003 -1.928 0.155) 3.572 9.593 ( 3.003 1.928 0.155) 3.572 9.910 ( 4.783 -5.436 -7.770) 10.620 9.910 ( 4.783 5.436 -7.770) 10.620 10.357 ( 6.104 -2.486 -0.940) 6.657 10.357 ( 6.104 2.486 -0.940) 6.657 10.649 ( -1.077 -1.407 2.983) 3.470 10.649 ( -1.077 1.407 2.983) 3.470 11.391 ( -8.767 -5.602 0.641) 10.423 11.391 ( -8.767 5.602 0.641) 10.423 11.855 ( 5.197 -2.892 0.775) 5.998 11.855 ( 5.197 2.892 0.775) 5.998 12.985 ( 1.947 -3.132 -1.010) 3.824 12.985 ( 1.947 3.133 -1.010) 3.824 13.318 ( -4.486 -5.117 2.307) 7.185 13.318 ( -4.486 5.117 2.307) 7.185 15.335 ( 9.432 -5.724 -4.553) 11.935 15.335 ( 9.432 5.724 -4.553) 11.935 15.837 ( 4.213 -10.031 5.970) 12.410 15.837 ( 4.213 10.031 5.970) 12.410 16.314 ( 1.713 -6.375 -9.409) 11.493 16.314 ( 1.713 6.375 -9.409) 11.493 16.762 ( 3.117 -10.041 -1.789) 10.665 16.762 ( 3.117 10.041 -1.789) 10.665 17.779 ( 0.563 -7.874 11.259) 13.751 17.779 ( 0.563 7.875 11.259) 13.751 18.890 ( -13.056 -24.373 -4.790) 28.061 18.890 ( -13.056 24.373 -4.790) 28.061 ======================= Grid point 50 (28/170) ======================= q-point: ( 0.27 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -7.857 -8.466 -0.522) 11.562 2.010 ( -7.857 8.466 -0.522) 11.562 2.281 ( 2.178 -5.735 -9.692) 11.470 2.281 ( 2.178 5.735 -9.692) 11.471 2.440 ( -4.540 -4.129 4.568) 7.650 2.440 ( -4.540 4.129 4.568) 7.650 2.631 ( 1.790 -11.123 -7.665) 13.627 2.631 ( 1.790 11.123 -7.665) 13.627 3.102 ( -0.228 -2.787 6.416) 6.999 3.102 ( -0.228 2.787 6.416) 6.999 3.388 ( -3.434 -3.776 -2.004) 5.483 3.388 ( -3.434 3.776 -2.004) 5.483 4.002 ( -4.147 -4.039 0.458) 5.807 4.002 ( -4.147 4.039 0.458) 5.807 4.365 ( -2.909 -10.477 2.693) 11.202 4.365 ( -2.909 10.477 2.693) 11.202 4.429 ( 0.156 -2.119 9.575) 9.807 4.429 ( 0.156 2.119 9.575) 9.807 5.542 ( -7.515 -2.340 -3.469) 8.601 5.542 ( -7.515 2.340 -3.469) 8.601 6.487 ( -3.475 -5.045 -0.571) 6.152 6.487 ( -3.475 5.045 -0.571) 6.152 6.712 ( 3.790 -3.410 -2.027) 5.486 6.712 ( 3.790 3.410 -2.027) 5.486 7.478 ( -0.947 -3.974 -1.272) 4.278 7.478 ( -0.947 3.974 -1.272) 4.279 7.740 ( -1.915 -1.685 -0.234) 2.561 7.740 ( -1.915 1.685 -0.234) 2.561 8.260 ( 5.017 -2.699 7.445) 9.375 8.260 ( 5.017 2.699 7.445) 9.375 8.979 ( 5.118 -0.159 5.350) 7.406 8.979 ( 5.118 0.159 5.350) 7.406 9.632 ( 3.410 -2.444 -5.000) 6.527 9.632 ( 3.410 2.444 -5.000) 6.527 9.923 ( 6.120 -5.168 -5.729) 9.848 9.923 ( 6.120 5.168 -5.728) 9.848 10.395 ( 3.141 -1.369 -4.102) 5.345 10.395 ( 3.141 1.369 -4.102) 5.345 10.706 ( 1.410 -1.381 5.621) 5.957 10.706 ( 1.410 1.381 5.621) 5.957 11.252 ( -8.020 -3.889 -0.122) 8.914 11.252 ( -8.020 3.890 -0.122) 8.914 11.937 ( 3.338 -3.120 0.759) 4.632 11.937 ( 3.338 3.120 0.759) 4.632 13.037 ( 3.278 -2.117 2.296) 4.527 13.037 ( 3.278 2.117 2.296) 4.527 13.257 ( -4.204 -4.840 0.007) 6.411 13.257 ( -4.204 4.840 0.007) 6.411 15.397 ( 5.237 -2.738 -5.411) 8.012 15.397 ( 5.237 2.738 -5.411) 8.012 15.944 ( 2.355 -7.503 -1.668) 8.039 15.944 ( 2.355 7.503 -1.668) 8.039 16.333 ( 8.942 -13.750 1.847) 16.506 16.333 ( 8.942 13.750 1.847) 16.506 16.843 ( 7.512 -10.572 -0.441) 12.976 16.843 ( 7.512 10.572 -0.441) 12.976 17.882 ( -0.989 -7.551 7.011) 10.351 17.882 ( -0.989 7.551 7.011) 10.351 18.578 ( -17.432 -20.331 -4.706) 27.191 18.578 ( -17.432 20.331 -4.706) 27.191 ======================= Grid point 52 (29/170) ======================= q-point: ( 0.36 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -8.782 -4.265 0.728) 9.790 1.857 ( -8.783 4.265 0.728) 9.790 2.149 ( -1.606 -5.811 -8.170) 10.154 2.149 ( -1.606 5.811 -8.170) 10.154 2.481 ( 0.447 -4.626 0.954) 4.744 2.481 ( 0.447 4.626 0.954) 4.745 2.592 ( 1.045 -9.014 -3.264) 9.643 2.592 ( 1.045 9.014 -3.264) 9.643 3.127 ( -2.246 -4.850 0.612) 5.380 3.127 ( -2.246 4.850 0.612) 5.380 3.319 ( -2.296 -1.932 0.046) 3.001 3.319 ( -2.295 1.932 0.046) 3.001 3.986 ( 0.147 -5.316 2.484) 5.870 3.986 ( 0.147 5.316 2.484) 5.870 4.275 ( -5.193 -8.945 -1.137) 10.405 4.275 ( -5.193 8.945 -1.137) 10.405 4.585 ( 1.814 -1.300 9.551) 9.809 4.585 ( 1.814 1.300 9.551) 9.809 5.413 ( -4.180 -1.323 -1.991) 4.815 5.413 ( -4.180 1.323 -1.991) 4.815 6.409 ( -3.344 -7.388 -0.923) 8.162 6.409 ( -3.344 7.388 -0.923) 8.162 6.799 ( 6.411 -4.938 -0.332) 8.099 6.799 ( 6.411 4.938 -0.332) 8.099 7.439 ( -1.977 -5.117 -1.422) 5.667 7.439 ( -1.977 5.117 -1.422) 5.667 7.712 ( -1.452 -1.301 0.280) 1.970 7.712 ( -1.452 1.301 0.280) 1.970 8.399 ( 1.820 -2.258 6.826) 7.416 8.399 ( 1.820 2.259 6.826) 7.416 9.119 ( 4.818 -1.152 5.591) 7.469 9.119 ( 4.818 1.152 5.591) 7.469 9.582 ( 0.528 -3.402 -9.035) 9.669 9.582 ( 0.528 3.403 -9.035) 9.669 9.959 ( 3.522 -5.369 -3.736) 7.429 9.959 ( 3.522 5.369 -3.736) 7.429 10.412 ( 3.786 -1.781 -2.508) 4.878 10.412 ( 3.786 1.781 -2.508) 4.878 10.796 ( 2.122 -0.960 4.746) 5.287 10.796 ( 2.122 0.961 4.746) 5.287 11.129 ( -6.261 -1.149 -0.619) 6.395 11.129 ( -6.261 1.150 -0.619) 6.396 11.979 ( 1.342 -4.526 0.130) 4.723 11.979 ( 1.342 4.526 0.130) 4.723 13.113 ( -1.061 -5.249 4.607) 7.064 13.113 ( -1.061 5.249 4.607) 7.064 13.201 ( 1.027 -2.051 -2.534) 3.417 13.201 ( 1.027 2.051 -2.534) 3.418 15.411 ( 2.985 -2.869 -3.484) 5.411 15.411 ( 2.985 2.869 -3.484) 5.411 15.896 ( -1.154 -8.690 -5.083) 10.133 15.896 ( -1.154 8.690 -5.083) 10.133 16.609 ( 13.651 -19.229 8.728) 25.145 16.609 ( 13.651 19.229 8.728) 25.145 16.982 ( 9.216 -9.263 0.072) 13.067 16.982 ( 9.216 9.263 0.072) 13.067 17.879 ( -3.602 -1.774 -3.291) 5.191 17.879 ( -3.602 1.774 -3.291) 5.191 18.250 ( -17.049 -8.186 0.782) 18.928 18.250 ( -17.049 8.186 0.782) 18.928 ======================= Grid point 54 (30/170) ======================= q-point: ( 0.45 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -3.514 -1.623 1.378) 4.109 1.766 ( -3.514 1.623 1.378) 4.109 2.074 ( 0.493 -6.834 -3.835) 7.852 2.074 ( 0.493 6.835 -3.835) 7.852 2.445 ( -2.144 -4.804 -1.175) 5.391 2.445 ( -2.144 4.805 -1.175) 5.391 2.603 ( 0.990 -8.352 0.145) 8.412 2.603 ( 0.990 8.352 0.145) 8.412 3.079 ( -1.470 -4.382 -1.142) 4.761 3.079 ( -1.470 4.382 -1.142) 4.761 3.309 ( -0.332 -2.330 0.705) 2.457 3.309 ( -0.332 2.330 0.705) 2.457 4.034 ( 1.465 -4.828 1.904) 5.392 4.034 ( 1.465 4.828 1.904) 5.393 4.191 ( -2.851 -6.098 -1.061) 6.814 4.191 ( -2.851 6.098 -1.061) 6.814 4.680 ( 0.633 -1.032 3.493) 3.697 4.680 ( 0.633 1.032 3.493) 3.697 5.355 ( -1.239 -0.615 -0.578) 1.499 5.355 ( -1.239 0.616 -0.578) 1.499 6.369 ( -0.919 -8.741 -0.154) 8.791 6.369 ( -0.919 8.741 -0.154) 8.791 6.882 ( 2.976 -3.399 0.074) 4.518 6.882 ( 2.976 3.399 0.074) 4.518 7.392 ( -1.397 -5.012 -0.824) 5.268 7.392 ( -1.397 5.012 -0.824) 5.268 7.698 ( -0.508 -0.876 0.187) 1.030 7.698 ( -0.508 0.876 0.187) 1.030 8.468 ( 0.176 -2.096 2.641) 3.376 8.468 ( 0.176 2.096 2.642) 3.376 9.267 ( 4.088 -5.387 6.455) 9.348 9.267 ( 4.088 5.387 6.455) 9.348 9.467 ( -1.978 -1.623 -7.910) 8.314 9.467 ( -1.978 1.624 -7.910) 8.314 9.956 ( 0.644 -9.222 -1.816) 9.421 9.956 ( 0.644 9.222 -1.816) 9.421 10.450 ( 2.160 -2.820 -0.769) 3.634 10.450 ( 2.160 2.820 -0.769) 3.635 10.876 ( 1.927 -3.050 2.843) 4.593 10.876 ( 1.927 3.050 2.843) 4.593 11.034 ( -3.474 -1.298 -1.183) 3.892 11.034 ( -3.474 1.298 -1.183) 3.892 11.992 ( 0.286 -4.929 -0.040) 4.937 11.992 ( 0.286 4.929 -0.040) 4.938 13.095 ( -2.026 -3.148 0.690) 3.807 13.095 ( -2.026 3.149 0.690) 3.807 13.236 ( 2.050 -1.841 0.079) 2.756 13.236 ( 2.050 1.841 0.079) 2.756 15.422 ( 1.209 -3.573 -1.095) 3.928 15.422 ( 1.209 3.573 -1.095) 3.928 15.835 ( -0.831 -7.744 -2.021) 8.046 15.835 ( -0.831 7.744 -2.021) 8.046 16.873 ( 6.215 -19.167 4.117) 20.565 16.873 ( 6.215 19.167 4.117) 20.565 17.160 ( 9.474 -10.978 3.402) 14.895 17.160 ( 9.474 10.978 3.402) 14.895 17.667 ( -9.486 -14.107 -8.408) 18.965 17.667 ( -9.486 14.107 -8.408) 18.966 18.100 ( -5.101 -11.079 3.233) 12.618 18.100 ( -5.101 11.079 3.233) 12.618 ======================= Grid point 99 (31/170) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( -19.512 0.000 23.018) 30.175 0.568 ( -4.869 0.000 26.844) 27.282 0.961 ( 7.936 0.000 42.568) 43.301 2.110 ( 8.570 0.000 -2.743) 8.998 2.476 ( 8.233 0.000 -12.608) 15.058 2.673 ( -0.492 0.000 -17.238) 17.245 2.877 ( -0.002 0.000 3.722) 3.722 2.929 ( -5.389 0.000 3.053) 6.193 3.169 ( 3.443 0.000 2.675) 4.360 3.556 ( -2.001 0.000 -1.080) 2.274 3.655 ( -0.795 0.000 -3.934) 4.014 3.900 ( 0.965 0.000 8.133) 8.190 4.029 ( -0.162 0.000 2.156) 2.162 4.077 ( -1.913 0.000 2.370) 3.046 4.234 ( -3.957 0.000 3.692) 5.412 4.375 ( -1.799 0.000 5.143) 5.448 4.380 ( -1.547 0.000 -4.223) 4.497 4.925 ( 0.270 0.000 -1.557) 1.580 6.122 ( 0.930 0.000 -3.169) 3.303 6.584 ( -0.043 0.000 -10.422) 10.423 6.676 ( -1.227 0.000 -2.883) 3.133 6.905 ( 11.582 0.000 -6.444) 13.254 7.126 ( -4.354 0.000 -5.215) 6.794 7.169 ( -0.750 0.000 -3.345) 3.428 7.461 ( -3.251 0.000 -3.772) 4.980 7.783 ( 13.039 0.000 -3.082) 13.398 7.825 ( -11.363 0.000 -7.519) 13.626 7.977 ( -1.729 0.000 -1.731) 2.447 8.072 ( -9.603 0.000 8.098) 12.562 8.233 ( 5.293 0.000 4.978) 7.266 8.530 ( 2.785 0.000 17.684) 17.902 8.879 ( 7.520 0.000 20.850) 22.165 9.033 ( 5.532 0.000 4.139) 6.909 9.094 ( 1.097 0.000 3.972) 4.121 9.614 ( -8.818 0.000 -5.262) 10.269 10.019 ( -0.783 0.000 -6.145) 6.195 10.119 ( 1.802 0.000 -12.013) 12.147 10.219 ( 0.901 0.000 2.950) 3.085 10.294 ( 3.333 0.000 -0.591) 3.385 10.470 ( -5.629 0.000 2.509) 6.163 11.466 ( -3.149 0.000 1.143) 3.350 11.569 ( 5.064 0.000 9.845) 11.071 12.070 ( 1.344 0.000 4.716) 4.904 12.142 ( -3.578 0.000 -6.645) 7.547 12.354 ( 2.305 0.000 -2.247) 3.219 12.720 ( 0.494 0.000 -6.553) 6.571 13.243 ( -4.317 0.000 3.050) 5.286 13.768 ( 6.355 0.000 -6.682) 9.222 14.381 ( -8.337 0.000 9.555) 12.681 15.518 ( 2.985 0.000 5.873) 6.588 15.705 ( 2.992 0.000 -11.158) 11.552 16.265 ( 1.501 0.000 3.105) 3.449 16.439 ( -1.907 0.000 0.743) 2.047 16.549 ( -3.454 0.000 3.540) 4.946 16.788 ( -0.549 0.000 1.814) 1.895 16.974 ( -1.115 0.000 -24.050) 24.076 17.037 ( 2.241 0.000 -2.458) 3.327 17.142 ( 1.254 0.000 -3.936) 4.131 18.436 ( 0.181 0.000 28.867) 28.868 20.428 ( -0.154 0.000 -10.316) 10.317 ======================= Grid point 100 (32/170) ======================= q-point: ( 0.09 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 10.199 0.000 13.384) 16.827 0.896 ( 8.027 0.000 23.889) 25.202 1.611 ( 16.830 0.000 29.840) 34.259 2.230 ( 11.422 0.000 -11.547) 16.242 2.477 ( 0.735 0.000 -18.350) 18.365 2.491 ( 4.321 0.000 -2.603) 5.045 2.839 ( -9.345 0.000 8.385) 12.555 2.903 ( -2.640 0.000 3.434) 4.332 3.202 ( -2.506 0.000 -2.376) 3.453 3.400 ( -8.053 0.000 -4.227) 9.095 3.630 ( -1.509 0.000 1.831) 2.373 3.957 ( 1.209 0.000 -0.556) 1.330 4.012 ( -3.183 0.000 -1.688) 3.603 4.121 ( -0.903 0.000 3.533) 3.646 4.191 ( -4.956 0.000 4.485) 6.684 4.286 ( -3.068 0.000 -0.751) 3.159 4.444 ( 1.203 0.000 7.999) 8.089 4.922 ( 1.898 0.000 -2.126) 2.850 5.986 ( -11.890 0.000 -2.024) 12.061 6.403 ( -8.048 0.000 -9.687) 12.594 6.596 ( -1.264 0.000 -8.122) 8.219 6.854 ( -5.504 0.000 -7.181) 9.048 6.974 ( -6.599 0.000 -2.649) 7.110 7.242 ( 9.474 0.000 2.598) 9.823 7.468 ( 6.496 0.000 -3.159) 7.224 7.633 ( -4.000 0.000 -5.737) 6.994 7.931 ( -1.138 0.000 -1.434) 1.831 7.944 ( 6.874 0.000 -3.899) 7.903 8.075 ( 4.070 0.000 6.345) 7.538 8.392 ( 4.978 0.000 5.743) 7.600 8.835 ( 8.123 0.000 17.827) 19.590 9.100 ( 2.212 0.000 6.494) 6.861 9.167 ( -2.290 0.000 5.864) 6.296 9.307 ( 6.626 0.000 17.082) 18.322 9.388 ( -5.924 0.000 -5.258) 7.921 9.910 ( -1.328 0.000 -8.292) 8.398 10.029 ( 4.037 0.000 -11.472) 12.162 10.136 ( -3.329 0.000 -5.167) 6.147 10.420 ( -2.483 0.000 0.535) 2.540 10.462 ( 7.229 0.000 5.777) 9.254 11.470 ( 0.245 0.000 5.312) 5.318 11.752 ( 3.454 0.000 10.475) 11.030 11.944 ( -7.625 0.000 -10.735) 13.168 12.133 ( -0.695 0.000 4.976) 5.024 12.349 ( 0.405 0.000 -2.448) 2.481 12.609 ( -3.610 0.000 -8.691) 9.411 13.212 ( -2.216 0.000 0.837) 2.369 13.746 ( -0.671 0.000 -4.300) 4.352 14.471 ( 5.490 0.000 9.407) 10.892 15.609 ( 1.422 0.000 -11.840) 11.926 15.659 ( 3.307 0.000 7.632) 8.318 16.359 ( 3.618 0.000 5.647) 6.706 16.374 ( -2.713 0.000 -7.031) 7.536 16.519 ( -3.835 0.000 3.406) 5.129 16.688 ( -4.020 0.000 -13.826) 14.399 16.800 ( -0.829 0.000 2.779) 2.900 17.128 ( 2.811 0.000 -3.909) 4.815 17.136 ( 12.500 0.000 -6.834) 14.247 18.744 ( -3.099 0.000 29.646) 29.808 20.228 ( -6.416 0.000 -15.191) 16.490 ======================= Grid point 101 (33/170) ======================= q-point: ( 0.18 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 15.345 0.000 5.123) 16.178 1.331 ( 13.461 0.000 20.806) 24.781 2.040 ( 4.175 0.000 5.393) 6.820 2.191 ( 0.277 0.000 -10.242) 10.245 2.290 ( 4.047 0.000 -17.616) 18.074 2.467 ( -0.957 0.000 -7.642) 7.702 2.819 ( -6.821 0.000 5.052) 8.489 2.968 ( 1.425 0.000 14.656) 14.725 3.040 ( -9.170 0.000 0.466) 9.182 3.281 ( -4.280 0.000 -4.692) 6.351 3.641 ( -2.228 0.000 5.308) 5.757 3.893 ( -6.004 0.000 -8.644) 10.525 3.932 ( -2.047 0.000 1.356) 2.456 4.062 ( 2.042 0.000 -5.229) 5.614 4.202 ( -1.448 0.000 6.094) 6.264 4.350 ( 0.292 0.000 10.193) 10.197 4.579 ( 3.565 0.000 8.370) 9.097 4.940 ( 3.544 0.000 -2.783) 4.506 5.743 ( -14.968 0.000 0.403) 14.973 6.111 ( -14.816 0.000 -7.318) 16.525 6.460 ( -0.854 0.000 -11.741) 11.772 6.703 ( -2.966 0.000 -5.889) 6.594 6.885 ( -4.234 0.000 2.406) 4.870 7.430 ( 6.327 0.000 1.731) 6.560 7.513 ( 0.630 0.000 -2.645) 2.719 7.524 ( -6.385 0.000 4.289) 7.692 7.942 ( 4.568 0.000 0.304) 4.578 7.982 ( 8.220 0.000 -6.692) 10.600 8.290 ( 12.197 0.000 2.443) 12.439 8.494 ( 0.014 0.000 4.600) 4.600 8.921 ( -11.598 0.000 -3.107) 12.007 9.150 ( -1.202 0.000 0.260) 1.230 9.271 ( 8.664 0.000 15.701) 17.933 9.415 ( -6.043 0.000 0.932) 6.114 9.422 ( 5.989 0.000 1.327) 6.134 9.872 ( 1.257 0.000 1.249) 1.772 10.008 ( 5.959 0.000 -7.280) 9.408 10.078 ( 4.092 0.000 -2.570) 4.832 10.409 ( 2.314 0.000 -1.350) 2.679 10.621 ( 4.836 0.000 4.348) 6.503 11.585 ( 2.285 0.000 9.088) 9.371 11.676 ( -9.235 0.000 -11.144) 14.473 11.931 ( 2.734 0.000 12.394) 12.692 12.163 ( 0.037 0.000 3.151) 3.151 12.294 ( -6.482 0.000 -1.268) 6.605 12.442 ( -0.347 0.000 -11.338) 11.344 13.174 ( -2.284 0.000 -1.449) 2.705 13.687 ( -1.894 0.000 -1.645) 2.509 14.731 ( 11.979 0.000 9.439) 15.251 15.502 ( 0.094 0.000 -8.790) 8.791 15.764 ( -0.114 0.000 6.069) 6.070 16.207 ( -0.083 0.000 -16.076) 16.077 16.455 ( -0.979 0.000 3.982) 4.101 16.477 ( -2.792 0.000 -3.422) 4.417 16.557 ( -4.678 0.000 3.629) 5.920 16.840 ( 1.012 0.000 3.215) 3.370 17.195 ( 9.616 0.000 1.023) 9.670 17.277 ( 15.129 0.000 -9.268) 17.742 18.982 ( -7.106 0.000 27.336) 28.244 19.890 ( -10.916 0.000 -18.630) 21.592 ======================= Grid point 102 (34/170) ======================= q-point: ( 0.27 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 6.492 0.000 -1.306) 6.622 1.775 ( 12.122 0.000 15.715) 19.847 1.869 ( -8.145 0.000 -10.449) 13.249 2.082 ( -1.881 0.000 -0.707) 2.010 2.279 ( 10.118 0.000 -13.914) 17.204 2.354 ( -1.141 0.000 -7.969) 8.050 2.733 ( -8.093 0.000 3.351) 8.759 2.928 ( -10.564 0.000 3.402) 11.098 3.123 ( -5.265 0.000 -6.421) 8.304 3.151 ( -0.046 0.000 11.314) 11.314 3.615 ( -11.504 0.000 -11.717) 16.420 3.670 ( -2.002 0.000 6.701) 6.994 4.051 ( 7.644 0.000 8.513) 11.441 4.092 ( 6.897 0.000 -4.725) 8.360 4.264 ( 1.013 0.000 5.259) 5.355 4.453 ( 0.293 0.000 6.382) 6.389 4.739 ( 4.791 0.000 7.456) 8.862 4.975 ( 5.008 0.000 -3.846) 6.315 5.527 ( -12.207 0.000 2.107) 12.388 5.773 ( -16.108 0.000 -6.380) 17.325 6.331 ( -1.054 0.000 -7.642) 7.715 6.615 ( -1.670 0.000 -3.557) 3.930 6.865 ( -3.013 0.000 3.790) 4.842 7.377 ( -3.994 0.000 -3.479) 5.296 7.430 ( -4.906 0.000 -3.268) 5.895 7.598 ( -1.078 0.000 8.928) 8.992 8.083 ( 8.837 0.000 2.892) 9.299 8.106 ( 12.573 0.000 -2.276) 12.777 8.476 ( 9.172 0.000 -2.355) 9.470 8.500 ( -3.794 0.000 2.391) 4.485 8.671 ( -12.068 0.000 -3.215) 12.489 9.048 ( -6.965 0.000 -5.765) 9.041 9.290 ( -4.928 0.000 -1.754) 5.231 9.500 ( 3.348 0.000 -0.211) 3.354 9.577 ( 9.623 0.000 8.528) 12.858 9.883 ( -0.841 0.000 -0.431) 0.945 10.050 ( 5.760 0.000 -3.299) 6.638 10.258 ( 14.425 0.000 5.659) 15.495 10.466 ( 4.857 0.000 -0.461) 4.879 10.714 ( 2.778 0.000 0.679) 2.860 11.411 ( -9.088 0.000 -7.938) 12.067 11.693 ( -0.415 0.000 6.475) 6.489 12.028 ( -5.488 0.000 6.849) 8.777 12.089 ( -12.011 0.000 -4.710) 12.901 12.317 ( 10.606 0.000 9.194) 14.036 12.383 ( 4.781 0.000 -8.150) 9.448 13.106 ( -3.287 0.000 -1.686) 3.694 13.645 ( -1.503 0.000 -1.138) 1.885 15.051 ( 13.142 0.000 9.475) 16.201 15.423 ( -0.604 0.000 -4.557) 4.597 15.805 ( -2.002 0.000 5.556) 5.905 16.057 ( 3.704 0.000 -14.734) 15.193 16.378 ( -3.324 0.000 -3.963) 5.172 16.401 ( -7.587 0.000 0.416) 7.598 16.552 ( -4.740 0.000 7.363) 8.757 16.860 ( -0.042 0.000 -1.011) 1.012 17.422 ( 16.328 0.000 -11.694) 20.084 17.495 ( 17.406 0.000 9.277) 19.724 19.114 ( -11.110 0.000 22.949) 25.497 19.472 ( -12.544 0.000 -19.874) 23.502 ======================= Grid point 103 (35/170) ======================= q-point: ( 0.36 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -1.642 0.000 3.595) 3.952 1.697 ( -1.037 0.000 -8.648) 8.710 1.863 ( -5.711 0.000 0.991) 5.796 2.252 ( 1.842 0.000 -6.023) 6.298 2.295 ( 9.644 0.000 -11.310) 14.864 2.344 ( 13.225 0.000 12.754) 18.373 2.658 ( -4.921 0.000 5.387) 7.297 2.782 ( -9.254 0.000 3.146) 9.774 2.987 ( -2.944 0.000 -5.660) 6.380 3.137 ( -12.163 0.000 -2.458) 12.409 3.328 ( -7.296 0.000 -3.349) 8.028 3.713 ( -2.617 0.000 6.658) 7.154 4.165 ( 7.872 0.000 -4.847) 9.244 4.255 ( 5.923 0.000 3.057) 6.666 4.347 ( 3.040 0.000 3.047) 4.304 4.491 ( -0.233 0.000 -0.161) 0.283 4.892 ( 4.602 0.000 5.043) 6.827 5.017 ( 5.952 0.000 -5.071) 7.819 5.389 ( -8.474 0.000 3.509) 9.172 5.453 ( -13.403 0.000 -5.707) 14.568 6.267 ( -0.728 0.000 -0.702) 1.011 6.564 ( -1.529 0.000 -0.566) 1.630 6.852 ( -3.101 0.000 2.558) 4.020 7.285 ( -3.829 0.000 -1.053) 3.971 7.328 ( -2.913 0.000 -2.051) 3.562 7.649 ( 0.115 0.000 2.190) 2.194 8.259 ( 6.750 0.000 3.973) 7.832 8.305 ( 9.086 0.000 2.520) 9.429 8.401 ( -8.036 0.000 -1.759) 8.226 8.513 ( -4.336 0.000 0.211) 4.341 8.540 ( 5.704 0.000 -5.769) 8.113 8.849 ( -8.163 0.000 -4.792) 9.465 9.225 ( -1.337 0.000 -1.495) 2.006 9.555 ( 3.214 0.000 0.802) 3.313 9.767 ( 4.615 0.000 3.943) 6.070 9.871 ( 1.315 0.000 -1.144) 1.743 10.111 ( 4.090 0.000 -0.908) 4.190 10.534 ( 3.458 0.000 -0.056) 3.458 10.614 ( 17.041 0.000 8.570) 19.075 10.720 ( 0.629 0.000 -5.087) 5.126 11.213 ( -7.478 0.000 -2.699) 7.951 11.722 ( -1.962 0.000 2.790) 3.410 11.833 ( -10.184 0.000 -6.722) 12.203 11.977 ( -5.675 0.000 2.310) 6.127 12.392 ( 4.990 0.000 -4.912) 7.002 12.589 ( 7.356 0.000 8.243) 11.048 13.052 ( -2.546 0.000 1.737) 3.082 13.604 ( -1.204 0.000 -2.154) 2.467 15.352 ( 9.739 0.000 8.968) 13.239 15.376 ( -0.534 0.000 -2.023) 2.092 15.845 ( -0.644 0.000 6.453) 6.485 16.018 ( 6.873 0.000 -7.825) 10.415 16.235 ( -10.855 0.000 -1.948) 11.028 16.292 ( -2.728 0.000 -1.502) 3.114 16.548 ( -4.956 0.000 6.332) 8.041 16.839 ( 0.325 0.000 -2.686) 2.706 17.552 ( 16.008 0.000 -13.196) 20.746 17.887 ( 14.692 0.000 8.672) 17.060 19.071 ( -8.771 0.000 -16.715) 18.876 19.128 ( -14.310 0.000 17.316) 22.464 ======================= Grid point 104 (36/170) ======================= q-point: ( 0.45 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -3.242 0.000 13.397) 13.784 1.683 ( 10.105 0.000 0.334) 10.110 1.761 ( -6.409 0.000 -0.105) 6.409 2.220 ( 5.335 0.000 -7.622) 9.304 2.358 ( 10.317 0.000 -6.860) 12.390 2.548 ( -1.021 0.000 5.934) 6.021 2.660 ( -8.697 0.000 -1.303) 8.794 2.753 ( -17.779 0.000 -7.109) 19.148 2.851 ( 9.345 0.000 8.265) 12.475 2.941 ( 3.059 0.000 -1.221) 3.294 3.288 ( -0.703 0.000 5.339) 5.385 3.720 ( -4.428 0.000 4.900) 6.604 4.232 ( 6.219 0.000 -4.125) 7.463 4.285 ( 0.233 0.000 -6.568) 6.572 4.381 ( -1.742 0.000 -1.095) 2.058 4.432 ( -1.788 0.000 -7.467) 7.678 4.956 ( -1.929 0.000 -1.757) 2.609 5.054 ( 5.856 0.000 -6.014) 8.394 5.264 ( -1.631 0.000 -0.725) 1.785 5.312 ( -5.906 0.000 3.711) 6.975 6.301 ( 1.219 0.000 6.404) 6.519 6.563 ( -0.041 0.000 2.851) 2.851 6.823 ( -2.232 0.000 0.591) 2.309 7.227 ( -2.065 0.000 -0.728) 2.190 7.292 ( 0.029 0.000 -0.365) 0.366 7.648 ( -0.416 0.000 -2.411) 2.446 8.284 ( -2.226 0.000 -2.034) 3.015 8.362 ( 0.063 0.000 2.186) 2.187 8.368 ( 0.875 0.000 -5.233) 5.306 8.487 ( -0.851 0.000 3.411) 3.515 8.644 ( 8.221 0.000 4.024) 9.153 8.704 ( -3.519 0.000 -2.893) 4.555 9.200 ( 0.143 0.000 -1.354) 1.361 9.608 ( 0.143 0.000 2.142) 2.147 9.828 ( 0.128 0.000 0.767) 0.777 9.905 ( 2.616 0.000 0.978) 2.793 10.161 ( 2.016 0.000 0.771) 2.158 10.580 ( 1.658 0.000 0.857) 1.867 10.625 ( -1.541 0.000 -9.467) 9.592 10.971 ( 11.534 0.000 9.504) 14.945 11.079 ( -6.641 0.000 -0.925) 6.705 11.649 ( -1.240 0.000 -5.925) 6.054 11.695 ( -2.669 0.000 -0.755) 2.773 11.908 ( -3.590 0.000 -0.512) 3.627 12.438 ( 4.726 0.000 -1.176) 4.870 12.687 ( -2.564 0.000 1.024) 2.761 13.074 ( -0.439 0.000 6.408) 6.423 13.568 ( 0.336 0.000 -2.624) 2.646 15.365 ( 0.875 0.000 -0.128) 0.884 15.542 ( 0.182 0.000 8.797) 8.799 15.932 ( -0.489 0.000 5.565) 5.586 16.028 ( -6.446 0.000 -2.858) 7.051 16.090 ( 7.052 0.000 -1.859) 7.293 16.274 ( 0.475 0.000 2.904) 2.942 16.527 ( -5.167 0.000 5.170) 7.309 16.819 ( 1.254 0.000 -3.097) 3.341 17.653 ( 14.066 0.000 -13.663) 19.609 18.032 ( -2.731 0.000 -5.855) 6.460 18.940 ( 8.444 0.000 -1.055) 8.510 19.032 ( -16.223 0.000 10.969) 19.584 ======================= Grid point 105 (37/170) ======================= q-point: (-0.45 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -0.457 0.000 11.848) 11.857 1.677 ( -1.365 0.000 -1.665) 2.153 2.015 ( 12.615 0.000 15.577) 20.044 2.267 ( 6.974 0.000 -6.102) 9.266 2.301 ( -19.173 0.000 -8.931) 21.152 2.459 ( 1.312 0.000 -4.122) 4.325 2.508 ( 5.336 0.000 -5.488) 7.655 2.607 ( 0.514 0.000 5.899) 5.921 3.006 ( -0.067 0.000 -0.292) 0.300 3.028 ( 5.505 0.000 1.901) 5.824 3.481 ( 10.212 0.000 12.858) 16.420 3.677 ( -5.916 0.000 2.908) 6.592 4.126 ( -4.071 0.000 -13.916) 14.500 4.259 ( 0.017 0.000 -12.789) 12.789 4.273 ( -7.611 0.000 -2.706) 8.078 4.292 ( 0.503 0.000 -1.876) 1.942 4.811 ( -7.387 0.000 -5.547) 9.238 5.066 ( 3.043 0.000 -5.598) 6.371 5.279 ( -1.368 0.000 1.800) 2.261 5.375 ( 10.518 0.000 2.537) 10.820 6.450 ( 3.807 0.000 12.276) 12.852 6.617 ( 1.633 0.000 3.813) 4.148 6.802 ( -0.580 0.000 0.206) 0.616 7.193 ( 0.142 0.000 -3.199) 3.202 7.314 ( 2.618 0.000 0.171) 2.623 7.579 ( -2.049 0.000 -5.277) 5.661 8.256 ( -0.617 0.000 -3.246) 3.304 8.300 ( -1.044 0.000 -4.807) 4.919 8.347 ( -1.091 0.000 2.083) 2.351 8.549 ( 1.066 0.000 6.071) 6.163 8.652 ( 0.199 0.000 -2.879) 2.886 8.854 ( 7.867 0.000 8.063) 11.265 9.191 ( 0.673 0.000 -1.896) 2.011 9.578 ( -4.629 0.000 -1.751) 4.949 9.793 ( -4.678 0.000 -0.443) 4.699 9.962 ( 1.355 0.000 2.348) 2.711 10.198 ( 0.293 0.000 2.670) 2.686 10.478 ( -4.265 0.000 -7.409) 8.548 10.612 ( -0.494 0.000 3.221) 3.258 10.873 ( -10.803 0.000 -3.739) 11.432 11.272 ( 9.464 0.000 9.507) 13.414 11.619 ( -3.015 0.000 -4.430) 5.359 11.693 ( 10.693 0.000 -2.231) 10.924 11.842 ( -1.583 0.000 -4.115) 4.409 12.521 ( 3.981 0.000 2.774) 4.852 12.547 ( -10.637 0.000 -3.830) 11.305 13.164 ( 0.732 0.000 8.086) 8.119 13.555 ( 1.685 0.000 -3.011) 3.450 15.411 ( 2.877 0.000 2.982) 4.143 15.511 ( -14.058 0.000 4.807) 14.858 15.829 ( -5.294 0.000 1.314) 5.454 16.126 ( 7.803 0.000 2.926) 8.333 16.173 ( 5.064 0.000 -1.530) 5.290 16.377 ( 4.109 0.000 5.099) 6.549 16.513 ( -4.219 0.000 8.700) 9.669 16.807 ( 1.627 0.000 -3.478) 3.840 17.710 ( 10.829 0.000 -13.004) 16.923 17.756 ( -12.243 0.000 -14.140) 18.704 18.839 ( -16.991 0.000 4.032) 17.463 19.239 ( 18.172 0.000 8.353) 20.000 ======================= Grid point 106 (38/170) ======================= q-point: (-0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -8.736 0.000 3.864) 9.553 1.630 ( -8.270 0.000 -4.851) 9.588 1.919 ( -4.656 0.000 -5.972) 7.572 2.283 ( -1.586 0.000 16.891) 16.965 2.393 ( 9.763 0.000 -2.169) 10.001 2.436 ( 7.674 0.000 -8.906) 11.756 2.681 ( 11.754 0.000 2.945) 12.117 2.695 ( 2.517 0.000 4.533) 5.185 2.909 ( -6.941 0.000 -4.410) 8.223 3.145 ( 5.711 0.000 1.923) 6.026 3.592 ( -5.071 0.000 -0.278) 5.078 3.776 ( 7.923 0.000 6.229) 10.079 3.937 ( -2.404 0.000 -5.263) 5.786 4.077 ( 1.390 0.000 -11.984) 12.065 4.109 ( -5.420 0.000 -5.463) 7.696 4.324 ( -1.023 0.000 3.770) 3.906 4.629 ( -7.421 0.000 -4.626) 8.745 5.029 ( -0.696 0.000 -3.695) 3.760 5.322 ( 6.242 0.000 -1.105) 6.339 5.621 ( 15.843 0.000 1.751) 15.939 6.684 ( 5.476 0.000 13.533) 14.599 6.697 ( 3.226 0.000 3.517) 4.772 6.812 ( -0.333 0.000 3.866) 3.880 7.134 ( 0.755 0.000 -9.629) 9.659 7.381 ( 5.774 0.000 -0.949) 5.852 7.503 ( -0.342 0.000 -3.124) 3.143 8.150 ( -6.333 0.000 -3.127) 7.063 8.247 ( -0.900 0.000 -1.317) 1.595 8.390 ( 1.447 0.000 1.634) 2.183 8.601 ( -3.395 0.000 -2.678) 4.324 8.675 ( 5.837 0.000 7.458) 9.470 9.036 ( 4.815 0.000 0.157) 4.818 9.193 ( 1.385 0.000 1.690) 2.185 9.388 ( -10.764 0.000 -10.101) 14.761 9.678 ( -8.296 0.000 0.190) 8.298 9.989 ( -0.772 0.000 1.537) 1.720 10.234 ( -0.449 0.000 4.163) 4.187 10.331 ( -6.856 0.000 -1.542) 7.027 10.634 ( -3.925 0.000 7.046) 8.066 10.670 ( -6.777 0.000 -5.400) 8.665 11.498 ( -3.246 0.000 -7.676) 8.334 11.542 ( 10.218 0.000 10.000) 14.297 11.757 ( -0.501 0.000 -7.513) 7.530 11.882 ( 13.091 0.000 -1.600) 13.188 12.314 ( -11.176 0.000 -2.861) 11.536 12.624 ( 2.411 0.000 5.608) 6.104 13.257 ( 0.084 0.000 6.545) 6.545 13.551 ( 2.517 0.000 -3.696) 4.472 15.255 ( -18.886 0.000 2.035) 18.995 15.522 ( 4.065 0.000 5.778) 7.064 15.794 ( -4.059 0.000 3.096) 5.105 16.237 ( 5.755 0.000 -2.801) 6.401 16.270 ( 6.169 0.000 1.036) 6.255 16.431 ( -0.338 0.000 1.695) 1.728 16.647 ( 1.825 0.000 15.160) 15.269 16.779 ( 0.113 0.000 -4.956) 4.957 17.408 ( -10.232 0.000 -11.322) 15.260 17.727 ( 6.847 0.000 -9.474) 11.689 18.561 ( -16.883 0.000 -3.316) 17.206 19.652 ( 19.060 0.000 8.404) 20.831 ======================= Grid point 107 (39/170) ======================= q-point: (-0.27 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -19.784 0.000 -5.782) 20.612 1.253 ( -23.849 0.000 -3.818) 24.152 2.038 ( 18.375 0.000 -5.857) 19.286 2.120 ( -25.804 0.000 -4.823) 26.251 2.494 ( 5.131 0.000 -7.828) 9.360 2.609 ( 11.219 0.000 8.155) 13.869 2.691 ( -6.846 0.000 0.103) 6.847 2.821 ( 1.133 0.000 4.422) 4.565 2.957 ( 14.440 0.000 7.053) 16.070 3.221 ( 2.657 0.000 -3.336) 4.265 3.552 ( 1.049 0.000 -0.775) 1.304 3.768 ( 1.178 0.000 -11.105) 11.167 3.958 ( 1.701 0.000 4.656) 4.957 4.012 ( 2.536 0.000 -3.145) 4.040 4.164 ( 7.327 0.000 5.063) 8.906 4.325 ( -4.930 0.000 5.119) 7.107 4.470 ( -6.742 0.000 -2.110) 7.065 4.980 ( -1.011 0.000 -1.822) 2.084 5.466 ( 13.304 0.000 -1.806) 13.426 5.933 ( 19.977 0.000 0.619) 19.987 6.784 ( 0.819 0.000 -1.462) 1.676 6.811 ( 5.118 0.000 4.123) 6.572 6.995 ( 2.394 0.000 20.344) 20.484 7.015 ( 2.014 0.000 -13.397) 13.548 7.471 ( 6.901 0.000 -2.720) 7.418 7.499 ( 2.569 0.000 -1.859) 3.171 8.014 ( -5.606 0.000 -2.007) 5.954 8.244 ( -0.421 0.000 2.656) 2.689 8.405 ( -2.185 0.000 2.345) 3.206 8.476 ( -9.381 0.000 -0.235) 9.384 8.900 ( 9.929 0.000 7.091) 12.201 8.981 ( -2.628 0.000 -10.221) 10.554 9.015 ( -16.153 0.000 -14.646) 21.804 9.220 ( -3.185 0.000 -0.574) 3.237 9.536 ( -8.510 0.000 0.890) 8.556 9.999 ( 0.804 0.000 2.061) 2.212 10.239 ( -4.278 0.000 1.865) 4.667 10.275 ( 0.108 0.000 3.208) 3.210 10.520 ( -4.536 0.000 -5.328) 6.997 10.632 ( -8.140 0.000 10.239) 13.081 11.363 ( -1.595 0.000 -7.329) 7.501 11.679 ( 0.641 0.000 -5.809) 5.845 11.828 ( 10.564 0.000 9.315) 14.084 12.065 ( 11.777 0.000 -3.053) 12.166 12.135 ( -7.255 0.000 -2.009) 7.528 12.717 ( 0.652 0.000 6.051) 6.086 13.305 ( -1.607 0.000 4.352) 4.639 13.565 ( 4.554 0.000 -3.991) 6.055 14.971 ( -19.042 0.000 4.231) 19.507 15.653 ( 3.718 0.000 4.877) 6.132 15.726 ( -6.541 0.000 -0.355) 6.551 16.307 ( 6.236 0.000 -2.075) 6.572 16.323 ( 0.591 0.000 -2.520) 2.588 16.449 ( -0.383 0.000 2.632) 2.660 16.716 ( 0.153 0.000 -3.502) 3.506 16.843 ( 3.439 0.000 10.547) 11.093 17.213 ( -2.770 0.000 -4.573) 5.346 17.744 ( 1.733 0.000 0.971) 1.987 18.211 ( -15.054 0.000 -11.306) 18.826 20.034 ( 17.012 0.000 5.424) 17.856 ======================= Grid point 108 (40/170) ======================= q-point: (-0.18 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( -22.565 0.000 -5.256) 23.169 0.836 ( -25.108 0.000 3.280) 25.321 1.519 ( -40.047 0.000 0.447) 40.049 2.225 ( 8.643 0.000 -14.715) 17.065 2.373 ( 3.300 0.000 -5.469) 6.388 2.711 ( 4.229 0.000 1.359) 4.442 2.846 ( 6.101 0.000 7.106) 9.366 2.894 ( 0.788 0.000 4.417) 4.487 3.114 ( -1.391 0.000 -9.259) 9.363 3.304 ( 13.772 0.000 3.829) 14.294 3.600 ( 4.312 0.000 0.659) 4.362 3.713 ( 2.196 0.000 -2.456) 3.295 3.972 ( 1.976 0.000 -1.021) 2.224 4.153 ( 4.415 0.000 6.808) 8.115 4.233 ( -6.837 0.000 3.604) 7.729 4.345 ( 4.089 0.000 1.976) 4.542 4.371 ( -4.635 0.000 1.764) 4.960 4.957 ( -0.685 0.000 -0.247) 0.728 5.718 ( 18.195 0.000 -0.870) 18.216 6.284 ( 21.796 0.000 -1.106) 21.824 6.760 ( -0.954 0.000 -1.957) 2.177 6.843 ( 2.159 0.000 -10.199) 10.425 7.039 ( 9.027 0.000 1.826) 9.209 7.211 ( 0.297 0.000 10.424) 10.428 7.532 ( 5.276 0.000 -3.806) 6.505 7.545 ( 2.260 0.000 3.667) 4.307 7.949 ( -0.414 0.000 -0.223) 0.470 8.287 ( -3.685 0.000 6.148) 7.168 8.312 ( -11.424 0.000 7.404) 13.613 8.382 ( -4.794 0.000 4.633) 6.667 8.564 ( -16.841 0.000 -14.339) 22.118 8.724 ( -9.586 0.000 -16.282) 18.894 9.075 ( 2.356 0.000 1.486) 2.785 9.094 ( -5.617 0.000 -4.313) 7.082 9.506 ( 2.434 0.000 6.794) 7.217 10.055 ( 2.385 0.000 1.309) 2.721 10.203 ( -1.857 0.000 -1.315) 2.276 10.291 ( 0.633 0.000 -2.646) 2.721 10.400 ( -4.103 0.000 -2.484) 4.797 10.597 ( -9.896 0.000 10.547) 14.463 11.315 ( 2.451 0.000 -2.017) 3.174 11.640 ( -1.088 0.000 -2.464) 2.693 12.024 ( -2.665 0.000 -2.715) 3.805 12.076 ( 7.672 0.000 6.537) 10.079 12.203 ( 9.884 0.000 -4.150) 10.720 12.769 ( -0.525 0.000 2.643) 2.695 13.307 ( -3.315 0.000 3.646) 4.928 13.619 ( 7.640 0.000 -4.316) 8.775 14.723 ( -18.855 0.000 7.419) 20.263 15.579 ( -7.136 0.000 -3.434) 7.920 15.737 ( 3.238 0.000 -0.448) 3.269 16.269 ( -1.743 0.000 -2.450) 3.006 16.400 ( 4.925 0.000 1.207) 5.071 16.471 ( -0.332 0.000 2.666) 2.687 16.737 ( 2.701 0.000 1.809) 3.251 16.967 ( 4.368 0.000 -0.756) 4.432 17.175 ( 0.960 0.000 -0.975) 1.369 17.760 ( -20.328 0.000 7.135) 21.544 17.899 ( 6.098 0.000 -7.322) 9.529 20.319 ( 12.674 0.000 0.785) 12.699 ======================= Grid point 109 (41/170) ======================= q-point: (-0.09 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( -14.440 0.000 24.523) 28.458 0.540 ( -21.990 0.000 17.227) 27.934 0.901 ( -42.270 0.000 16.610) 45.416 2.094 ( -0.888 0.000 -6.659) 6.718 2.460 ( 12.778 0.000 -13.861) 18.852 2.805 ( 4.609 0.000 1.513) 4.851 2.868 ( -2.274 0.000 -11.376) 11.601 2.941 ( -1.386 0.000 4.413) 4.625 3.067 ( 4.534 0.000 1.913) 4.921 3.506 ( 6.751 0.000 0.737) 6.791 3.675 ( 3.404 0.000 -1.218) 3.616 3.779 ( 1.888 0.000 7.093) 7.340 4.010 ( 1.146 0.000 -0.593) 1.290 4.136 ( -6.348 0.000 0.862) 6.406 4.236 ( -1.955 0.000 4.715) 5.104 4.360 ( -1.739 0.000 3.836) 4.212 4.406 ( 2.016 0.000 -1.158) 2.325 4.942 ( -0.659 0.000 -0.575) 0.874 6.002 ( 15.181 0.000 -1.139) 15.223 6.579 ( 14.227 0.000 -4.249) 14.847 6.719 ( -0.973 0.000 -2.203) 2.408 6.789 ( 9.027 0.000 -12.160) 15.144 7.179 ( 3.465 0.000 0.869) 3.572 7.221 ( -1.383 0.000 -3.773) 4.018 7.588 ( -8.139 0.000 6.761) 10.581 7.612 ( 10.352 0.000 -3.872) 11.053 7.981 ( 2.489 0.000 1.125) 2.731 8.155 ( -11.028 0.000 0.868) 11.062 8.196 ( -20.113 0.000 1.690) 20.184 8.219 ( -6.526 0.000 -7.165) 9.691 8.381 ( -3.674 0.000 10.097) 10.745 8.573 ( 5.735 0.000 7.669) 9.576 8.975 ( -1.660 0.000 -2.283) 2.823 9.070 ( -1.308 0.000 0.884) 1.578 9.674 ( 3.636 0.000 5.067) 6.236 10.070 ( 0.075 0.000 -3.351) 3.352 10.146 ( 0.195 0.000 -2.299) 2.307 10.225 ( -0.396 0.000 -8.545) 8.554 10.335 ( -2.559 0.000 -0.586) 2.625 10.539 ( -7.800 0.000 5.485) 9.535 11.371 ( 4.796 0.000 3.909) 6.187 11.524 ( -6.895 0.000 0.193) 6.898 12.006 ( 1.657 0.000 1.067) 1.971 12.194 ( 2.298 0.000 -0.658) 2.391 12.308 ( 6.343 0.000 -1.875) 6.615 12.762 ( 0.415 0.000 -3.064) 3.092 13.282 ( -4.740 0.000 3.900) 6.138 13.705 ( 9.097 0.000 -7.080) 11.527 14.509 ( -17.556 0.000 8.552) 19.529 15.472 ( -2.166 0.000 0.045) 2.167 15.752 ( 3.502 0.000 -6.713) 7.571 16.238 ( -0.519 0.000 0.163) 0.544 16.448 ( -0.419 0.000 1.071) 1.150 16.525 ( 0.559 0.000 4.881) 4.913 16.792 ( 0.216 0.000 -1.737) 1.750 16.990 ( 6.149 0.000 -8.566) 10.545 17.187 ( 0.259 0.000 -5.312) 5.318 17.372 ( -14.724 0.000 -14.586) 20.726 18.116 ( 2.627 0.000 22.636) 22.788 20.459 ( 6.619 0.000 -4.755) 8.151 ======================= Grid point 110 (42/170) ======================= q-point: ( 0.00 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -2.402 21.819 8.600) 23.575 0.836 ( 0.581 16.002 20.957) 26.374 1.393 ( -2.647 32.490 27.256) 42.491 2.109 ( 7.511 -0.035 -1.962) 7.763 2.380 ( 4.472 -6.039 -14.618) 16.436 2.709 ( 2.553 2.309 -8.253) 8.942 2.831 ( 0.073 -4.067 4.014) 5.714 2.972 ( -3.216 2.100 2.969) 4.855 3.180 ( 1.695 1.662 -2.118) 3.181 3.532 ( -0.521 -3.433 0.360) 3.491 3.566 ( -2.090 -6.903 -5.920) 9.331 3.906 ( -0.250 -1.634 5.475) 5.719 4.054 ( 0.111 -0.355 7.498) 7.507 4.090 ( -0.940 2.622 -1.771) 3.301 4.206 ( -3.879 -0.184 -0.021) 3.883 4.362 ( -2.256 -2.134 0.653) 3.174 4.413 ( 0.217 2.876 4.165) 5.066 4.854 ( -0.327 -6.688 -1.371) 6.834 6.104 ( 1.145 -2.118 -3.485) 4.236 6.496 ( -0.613 -8.219 -8.306) 11.701 6.596 ( 1.836 -7.266 -1.330) 7.611 6.882 ( 1.167 -2.172 -8.090) 8.458 7.073 ( 6.274 -3.354 -2.096) 7.417 7.214 ( -5.569 0.903 -5.315) 7.751 7.536 ( -4.133 3.160 -4.136) 6.646 7.738 ( 6.418 -4.145 2.553) 8.056 7.792 ( -2.796 -1.896 -10.030) 10.584 7.924 ( -1.831 -5.389 -2.159) 6.087 8.044 ( -3.801 -1.905 6.186) 7.506 8.136 ( 2.298 -7.888 4.187) 9.221 8.587 ( 0.664 4.222 14.494) 15.111 8.834 ( 5.762 -3.544 16.896) 18.200 9.139 ( -1.121 5.521 3.215) 6.487 9.200 ( 6.977 10.479 7.166) 14.486 9.683 ( -7.486 3.315 -6.372) 10.375 9.963 ( -0.854 -3.225 -6.335) 7.160 10.063 ( 1.297 -3.531 -8.140) 8.968 10.312 ( 6.289 2.687 2.644) 7.332 10.376 ( -4.674 8.839 -2.850) 10.397 10.516 ( -2.650 3.802 2.426) 5.231 11.442 ( -4.148 0.376 0.828) 4.246 11.561 ( 4.300 -0.295 9.858) 10.759 11.985 ( 2.034 -6.726 0.820) 7.074 12.128 ( -4.176 -2.674 -2.409) 5.513 12.412 ( 2.704 4.526 -2.951) 6.042 12.782 ( -0.623 5.479 -6.644) 8.634 13.268 ( -3.161 2.075 3.516) 5.164 13.713 ( 4.075 -4.862 -4.428) 7.737 14.442 ( -6.140 6.024 8.086) 11.806 15.484 ( 3.637 -2.778 3.201) 5.584 15.718 ( 0.906 1.127 -7.812) 7.945 16.182 ( 0.873 -9.057 2.164) 9.353 16.409 ( -1.353 -2.420 2.461) 3.707 16.507 ( -3.378 -0.519 2.435) 4.196 16.740 ( 1.153 -3.282 -13.859) 14.289 17.006 ( 2.111 -2.205 -3.818) 4.888 17.187 ( -1.268 8.021 -2.907) 8.625 17.275 ( 0.889 17.977 -8.605) 19.950 18.397 ( 0.423 -3.463 28.147) 28.363 20.326 ( -0.219 -9.532 -9.993) 13.812 ======================= Grid point 111 (43/170) ======================= q-point: ( 0.09 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 12.698 17.788 6.571) 22.821 1.121 ( 5.980 15.641 18.632) 25.051 1.772 ( 10.977 13.304 20.115) 26.497 2.214 ( 9.307 -0.401 -11.070) 14.468 2.317 ( 3.390 -3.999 -6.508) 8.357 2.681 ( 2.244 6.368 -1.318) 6.879 2.840 ( -4.655 -3.468 3.927) 7.009 2.897 ( -6.889 4.062 0.848) 8.042 3.177 ( -1.540 -1.996 -2.284) 3.402 3.357 ( -7.851 -4.472 -6.469) 11.113 3.563 ( -1.080 -6.173 3.784) 7.321 3.902 ( -2.589 -5.645 -2.115) 6.561 4.040 ( -3.395 2.273 -1.521) 4.360 4.122 ( -3.578 1.430 -0.820) 3.939 4.166 ( -0.712 -0.632 10.443) 10.486 4.320 ( -2.569 0.475 0.700) 2.705 4.493 ( 2.342 4.087 5.521) 7.257 4.842 ( 1.354 -7.081 -1.890) 7.452 5.979 ( -10.576 -1.053 -2.613) 10.945 6.326 ( -7.579 -7.006 -8.811) 13.571 6.599 ( 1.445 -3.732 -3.083) 5.052 6.732 ( -7.259 -3.531 -7.794) 11.221 7.028 ( -6.002 -1.680 -5.694) 8.442 7.205 ( 7.324 -3.755 3.252) 8.849 7.438 ( -2.018 0.203 -4.111) 4.584 7.715 ( 1.842 4.834 -2.529) 5.758 7.877 ( 3.268 -3.618 -4.078) 6.357 7.918 ( 6.498 -3.526 -1.002) 7.461 8.036 ( 0.683 -2.799 2.541) 3.842 8.285 ( 6.358 -8.748 5.682) 12.217 8.824 ( 4.926 -0.771 16.633) 17.364 9.044 ( -0.555 -5.576 9.838) 11.322 9.208 ( 2.580 6.003 6.400) 9.146 9.403 ( -0.386 4.853 6.095) 7.801 9.521 ( 1.722 10.029 -1.321) 10.261 9.859 ( -0.824 -3.024 -7.866) 8.467 10.008 ( 4.792 -0.804 -9.425) 10.604 10.243 ( -4.356 7.178 -5.169) 9.860 10.433 ( 1.637 2.635 2.832) 4.200 10.541 ( 3.379 4.925 2.768) 6.583 11.423 ( -1.327 -2.573 4.888) 5.681 11.739 ( 3.341 -1.003 9.022) 9.672 11.927 ( -4.058 -1.838 -7.450) 8.680 12.062 ( -4.391 -6.115 3.340) 8.236 12.416 ( 1.903 5.905 -2.685) 6.760 12.673 ( -1.894 5.585 -8.027) 9.961 13.253 ( -2.609 3.458 1.778) 4.683 13.685 ( -1.800 -5.148 -2.504) 6.001 14.542 ( 6.277 6.665 8.292) 12.352 15.571 ( 4.803 -3.725 -6.125) 8.629 15.667 ( 0.321 1.494 0.835) 1.741 16.204 ( -3.821 -11.919 3.800) 13.080 16.384 ( -1.937 -0.089 -2.304) 3.011 16.513 ( 3.250 -2.066 -0.569) 3.893 16.574 ( -0.284 -2.418 -9.162) 9.480 17.059 ( 6.185 4.018 -2.906) 7.927 17.164 ( 3.379 10.924 -4.613) 12.330 17.211 ( -0.433 9.964 -3.100) 10.445 18.698 ( -3.020 -4.101 28.665) 29.114 20.129 ( -6.520 -9.244 -14.756) 18.593 ======================= Grid point 112 (44/170) ======================= q-point: ( 0.18 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 15.148 13.401 3.255) 20.485 1.449 ( 9.557 9.756 16.661) 21.543 2.045 ( 10.076 -3.619 -5.810) 12.181 2.153 ( -5.423 2.972 -6.168) 8.734 2.257 ( 0.329 0.410 -10.278) 10.291 2.676 ( -0.657 13.335 -7.211) 15.174 2.779 ( -6.994 -3.809 2.761) 8.429 2.904 ( -0.006 -4.858 13.306) 14.165 3.060 ( -6.706 2.156 2.703) 7.544 3.226 ( -3.596 -5.233 -5.543) 8.428 3.605 ( -1.989 -3.912 6.656) 7.973 3.779 ( -5.473 -8.157 -5.767) 11.390 3.984 ( -1.665 2.498 1.019) 3.170 4.052 ( -0.898 0.083 -2.741) 2.886 4.238 ( -1.414 1.937 6.374) 6.811 4.361 ( 1.060 1.605 7.677) 7.914 4.599 ( 2.909 1.250 5.058) 5.967 4.859 ( 3.364 -7.071 -2.205) 8.135 5.749 ( -13.797 0.072 -0.456) 13.804 6.065 ( -12.755 -4.648 -6.944) 15.249 6.502 ( -4.360 2.382 -10.284) 11.421 6.601 ( -0.281 -5.961 -1.667) 6.196 6.917 ( -3.024 -0.792 -1.168) 3.337 7.359 ( 1.930 -7.132 6.846) 10.073 7.371 ( -0.187 -3.716 -3.379) 5.025 7.684 ( -5.393 5.825 0.642) 7.964 7.867 ( 1.939 -3.854 -2.244) 4.863 8.020 ( 10.120 -1.216 -3.428) 10.754 8.156 ( 8.735 -7.461 -0.252) 11.490 8.426 ( 3.774 -6.012 3.150) 7.766 8.969 ( -5.870 1.846 3.214) 6.942 9.089 ( -1.063 -2.899 7.934) 8.514 9.356 ( 5.498 4.725 7.545) 10.464 9.404 ( -0.284 3.193 1.691) 3.625 9.550 ( 2.140 7.383 -7.035) 10.420 9.847 ( 3.934 -4.394 1.736) 6.148 10.021 ( 4.485 5.015 -4.093) 7.875 10.150 ( 1.498 4.768 -5.215) 7.223 10.475 ( 3.219 5.225 1.173) 6.248 10.654 ( 4.263 2.545 3.593) 6.129 11.490 ( -0.427 -6.561 6.288) 9.097 11.699 ( -5.151 0.410 -8.175) 9.671 11.942 ( 2.094 1.193 10.157) 10.439 11.986 ( -7.808 -10.906 0.855) 13.440 12.431 ( 3.110 9.378 -0.851) 9.917 12.568 ( 0.243 9.253 -7.445) 11.879 13.212 ( -3.411 3.381 -0.276) 4.810 13.629 ( -2.415 -4.964 -0.468) 5.540 14.796 ( 11.935 5.987 8.456) 15.804 15.513 ( 2.065 0.941 -10.225) 10.474 15.711 ( -1.567 -4.190 4.853) 6.600 16.115 ( -3.344 -7.906 -6.386) 10.699 16.354 ( -0.338 -3.294 -0.929) 3.439 16.435 ( -1.126 -4.398 -4.894) 6.675 16.685 ( 4.726 8.386 5.220) 10.951 17.081 ( -2.059 16.165 3.269) 16.620 17.203 ( 5.526 2.739 -1.920) 6.459 17.243 ( 13.018 -2.455 -8.408) 15.690 18.926 ( -7.084 -5.031 26.435) 27.826 19.794 ( -11.113 -8.958 -18.127) 23.073 ======================= Grid point 113 (45/170) ======================= q-point: ( 0.27 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 5.754 11.394 -1.315) 12.832 1.776 ( 7.815 0.689 8.793) 11.784 1.910 ( -7.721 2.892 -7.371) 11.060 2.045 ( 3.128 -3.575 -6.358) 7.937 2.201 ( 5.252 0.932 -6.050) 8.066 2.570 ( -1.847 12.350 -6.479) 14.068 2.679 ( -8.094 -4.142 2.442) 9.414 2.966 ( -8.006 1.244 4.383) 9.212 3.067 ( -5.122 -4.596 -7.126) 9.906 3.092 ( -0.357 -3.282 9.513) 10.070 3.547 ( -8.333 -5.406 -7.217) 12.277 3.660 ( -4.877 -1.980 5.032) 7.282 4.047 ( 7.169 -3.002 -0.561) 7.793 4.087 ( 4.690 0.453 4.178) 6.297 4.311 ( 1.343 4.429 7.059) 8.440 4.455 ( 1.191 1.219 4.421) 4.738 4.698 ( 2.785 -4.063 4.564) 6.715 4.898 ( 4.594 -6.788 -3.166) 8.787 5.539 ( -11.471 0.720 1.217) 11.558 5.767 ( -14.060 -1.320 -5.630) 15.203 6.349 ( -2.605 0.944 -6.086) 6.687 6.584 ( -0.199 -1.955 -1.017) 2.213 6.886 ( -1.791 0.651 1.818) 2.634 7.297 ( -2.527 -2.822 -2.332) 4.448 7.446 ( 0.794 -7.486 0.468) 7.543 7.579 ( -8.410 2.416 3.945) 9.598 7.907 ( 4.136 -8.778 0.150) 9.705 8.144 ( 5.427 -12.149 -3.032) 13.647 8.294 ( 9.998 2.434 0.730) 10.315 8.467 ( -0.345 -2.762 -0.510) 2.830 8.883 ( -5.752 9.031 1.666) 10.836 9.083 ( -2.652 2.074 -2.933) 4.465 9.326 ( -5.358 4.675 -3.452) 7.905 9.479 ( 2.344 -1.232 2.196) 3.440 9.646 ( 10.120 5.698 2.725) 11.929 9.935 ( 0.970 0.380 1.771) 2.055 10.030 ( 4.423 1.694 -3.976) 6.184 10.226 ( 11.021 -1.178 0.143) 11.084 10.580 ( 5.439 7.620 3.410) 9.964 10.743 ( 3.049 2.438 1.108) 4.058 11.406 ( -8.465 -1.212 -5.514) 10.175 11.645 ( 0.038 -4.482 3.690) 5.806 11.842 ( -8.268 -12.022 -1.304) 14.649 12.044 ( -2.609 0.087 6.314) 6.832 12.512 ( 3.317 10.379 -6.337) 12.605 12.544 ( 7.411 13.661 4.161) 16.089 13.140 ( -4.181 3.021 -0.668) 5.201 13.595 ( -1.659 -4.587 -0.058) 4.878 15.097 ( 12.355 3.949 7.581) 15.024 15.440 ( 0.113 1.964 -5.313) 5.665 15.722 ( -1.874 -6.666 3.417) 7.722 16.011 ( 1.495 -3.492 -7.708) 8.593 16.313 ( -3.728 -4.202 0.375) 5.630 16.399 ( -0.255 0.705 -1.868) 2.013 16.708 ( -4.357 13.372 0.964) 14.097 17.061 ( -3.756 15.251 1.111) 15.746 17.373 ( 16.183 -4.300 -12.031) 20.618 17.439 ( 16.064 -5.044 9.183) 19.178 19.049 ( -11.021 -5.837 22.210) 25.471 19.377 ( -12.957 -8.887 -19.415) 24.977 ======================= Grid point 114 (46/170) ======================= q-point: ( 0.36 0.12 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -3.233 9.602 3.397) 10.686 1.722 ( -0.705 2.295 -8.168) 8.513 1.853 ( -5.111 -0.942 0.551) 5.226 2.120 ( 11.009 -4.997 -9.724) 15.515 2.358 ( 10.647 1.459 9.668) 14.455 2.485 ( -0.713 10.401 -4.649) 11.415 2.588 ( -6.472 -4.438 4.754) 9.175 2.854 ( -8.499 3.269 2.885) 9.552 2.928 ( -2.358 -3.355 -4.688) 6.228 3.119 ( -6.949 -2.003 0.974) 7.297 3.298 ( -7.690 -2.463 -5.511) 9.776 3.650 ( -4.209 -5.123 5.123) 8.379 4.166 ( 8.066 -1.410 -1.859) 8.396 4.210 ( 4.450 -4.099 1.067) 6.144 4.418 ( 2.702 5.990 3.081) 7.258 4.486 ( 0.351 0.674 -1.302) 1.508 4.801 ( 3.456 -8.054 4.352) 9.785 4.927 ( 3.914 -8.226 -4.616) 10.212 5.398 ( -8.334 0.866 2.569) 8.764 5.494 ( -11.057 2.195 -4.317) 12.071 6.282 ( -0.897 0.894 -0.572) 1.389 6.578 ( -0.262 1.351 0.946) 1.670 6.874 ( -2.659 1.737 1.908) 3.705 7.255 ( -0.150 -0.811 -0.588) 1.013 7.393 ( -3.226 2.214 -3.003) 4.932 7.532 ( -3.457 -9.487 2.978) 10.527 7.990 ( 3.178 -14.362 2.939) 15.000 8.120 ( -0.461 -15.527 -5.198) 16.381 8.421 ( -0.279 -1.614 -4.359) 4.656 8.499 ( 5.746 7.329 6.838) 11.554 8.830 ( -0.701 12.370 0.543) 12.401 8.981 ( -3.046 8.328 -5.826) 10.610 9.209 ( -3.349 0.758 -4.178) 5.408 9.544 ( 1.871 -1.120 3.568) 4.182 9.812 ( 6.472 4.539 0.911) 7.957 9.951 ( 0.569 4.558 1.728) 4.908 10.082 ( 4.669 -1.563 -1.482) 5.142 10.449 ( 11.437 -4.180 1.391) 12.256 10.720 ( 4.200 4.597 6.213) 8.796 10.772 ( 3.654 5.271 -4.122) 7.624 11.206 ( -8.662 -1.220 -3.324) 9.358 11.663 ( -3.760 -9.909 0.874) 10.635 11.709 ( -3.589 -3.328 -1.262) 5.054 12.014 ( -4.953 2.406 1.750) 5.778 12.503 ( 3.672 9.968 -4.484) 11.530 12.738 ( 6.872 11.018 4.378) 13.703 13.082 ( -3.128 2.699 2.267) 4.712 13.564 ( -1.277 -3.663 -1.281) 4.085 15.303 ( 5.145 -1.929 -1.259) 5.637 15.447 ( 2.401 3.714 6.537) 7.892 15.749 ( 0.692 -6.563 3.968) 7.701 16.009 ( 4.680 0.164 -2.124) 5.142 16.239 ( -6.548 -1.328 -0.066) 6.682 16.352 ( -1.524 6.130 -2.086) 6.652 16.648 ( -3.519 9.376 1.786) 10.173 16.997 ( -3.446 13.101 -1.378) 13.617 17.497 ( 15.769 -4.842 -13.390) 21.246 17.828 ( 14.811 -5.648 9.482) 18.471 18.967 ( -9.725 -9.684 -16.458) 21.429 19.060 ( -13.996 -6.233 16.389) 22.435 ======================= Grid point 115 (47/170) ======================= q-point: ( 0.45 0.12 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -4.091 5.945 10.710) 12.914 1.712 ( 6.166 2.605 2.312) 7.081 1.767 ( -1.833 0.437 -1.577) 2.457 2.186 ( 10.970 -1.331 -9.476) 14.557 2.441 ( 1.208 4.860 -3.714) 6.235 2.533 ( -1.207 -0.222 6.429) 6.545 2.594 ( -6.005 -4.429 0.357) 7.470 2.730 ( -6.372 -1.483 -0.930) 6.608 2.886 ( -2.436 2.385 -0.748) 3.490 3.002 ( 3.457 4.548 2.535) 6.250 3.241 ( 0.181 -4.061 3.494) 5.360 3.630 ( -4.349 -7.202 3.836) 9.247 4.219 ( 2.461 -3.401 -5.231) 6.708 4.270 ( 3.117 -2.109 -1.723) 4.139 4.392 ( -2.277 1.823 -7.962) 8.480 4.452 ( -0.994 2.858 -5.106) 5.935 4.855 ( -2.146 -8.929 -1.576) 9.318 4.946 ( 5.053 -9.516 -2.496) 11.060 5.316 ( -2.849 2.586 1.329) 4.070 5.349 ( -3.893 3.157 0.575) 5.045 6.307 ( 1.065 0.143 4.758) 4.878 6.597 ( -0.357 2.882 3.034) 4.200 6.844 ( -2.026 1.991 0.484) 2.882 7.271 ( 1.028 3.658 0.004) 3.800 7.322 ( -1.977 2.604 -0.320) 3.286 7.492 ( -1.723 -14.106 -2.742) 14.473 8.045 ( -1.173 -14.243 -0.276) 14.294 8.093 ( 3.630 -15.319 1.242) 15.792 8.363 ( -0.471 -3.270 -4.261) 5.392 8.581 ( -1.247 7.578 2.725) 8.149 8.860 ( -3.453 11.031 -5.487) 12.795 8.927 ( 6.391 15.641 5.636) 17.812 9.130 ( 0.355 -4.840 -4.710) 6.763 9.606 ( -0.727 -0.394 4.590) 4.664 9.890 ( 2.939 6.174 -0.512) 6.857 9.986 ( -0.360 3.355 3.717) 5.020 10.148 ( 3.015 0.299 1.322) 3.305 10.568 ( 3.097 -1.171 -2.221) 3.987 10.683 ( -1.798 4.178 -6.175) 7.669 10.959 ( 7.674 -0.985 7.025) 10.450 11.050 ( -5.564 -2.300 -0.677) 6.058 11.563 ( -2.350 -8.235 -4.182) 9.530 11.687 ( -0.846 0.281 0.086) 0.896 11.951 ( -3.297 3.577 -0.318) 4.875 12.538 ( 4.150 9.109 -0.931) 10.053 12.812 ( -0.665 9.758 -1.133) 9.846 13.095 ( -1.175 1.976 5.927) 6.358 13.526 ( -0.358 -3.722 -2.688) 4.605 15.332 ( 3.165 -1.705 -1.371) 3.848 15.569 ( -2.187 -0.081 11.234) 11.445 15.834 ( 2.652 -4.776 4.267) 6.932 16.002 ( -8.593 1.317 -3.061) 9.217 16.174 ( 5.872 2.762 0.481) 6.507 16.362 ( 1.439 7.611 4.544) 8.980 16.618 ( -3.160 8.231 1.320) 8.915 16.931 ( -0.959 10.063 -3.221) 10.610 17.591 ( 13.707 -5.305 -13.826) 20.178 17.989 ( -2.745 -4.068 -4.839) 6.892 18.814 ( 6.861 -11.550 -1.036) 13.474 18.967 ( -14.472 -6.145 10.183) 18.732 ======================= Grid point 116 (48/170) ======================= q-point: (-0.45 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 0.394 3.326 8.703) 9.325 1.693 ( 0.008 1.646 -1.104) 1.982 2.016 ( 9.220 0.290 11.506) 14.747 2.262 ( 2.176 0.094 -6.093) 6.470 2.338 ( -7.697 3.222 -2.921) 8.840 2.437 ( -0.747 -1.682 0.194) 1.851 2.573 ( 2.131 5.982 -5.091) 8.139 2.635 ( 1.506 2.042 4.065) 4.792 2.968 ( 5.114 -2.907 2.114) 6.251 3.057 ( -0.537 2.230 -0.885) 2.459 3.421 ( 9.244 -5.132 11.102) 15.331 3.587 ( -4.741 -7.401 1.734) 8.959 4.146 ( -0.848 1.043 -13.038) 13.107 4.193 ( -4.198 -5.313 -5.900) 8.981 4.274 ( -5.631 -2.563 -2.572) 6.700 4.328 ( -0.360 5.012 -10.608) 11.738 4.749 ( -4.782 -5.790 -2.974) 8.077 4.987 ( 2.527 -7.662 -3.234) 8.692 5.309 ( -0.442 2.486 1.468) 2.921 5.407 ( 8.933 1.895 1.555) 9.263 6.424 ( 2.889 -2.384 9.901) 10.586 6.623 ( -0.599 0.647 3.180) 3.300 6.836 ( 0.655 3.004 0.556) 3.125 7.221 ( -2.912 1.345 -4.250) 5.324 7.353 ( 3.131 2.866 -0.985) 4.358 7.442 ( 0.961 -10.533 -1.691) 10.711 8.013 ( -1.914 -13.680 0.070) 13.813 8.194 ( 4.859 -9.624 0.701) 10.804 8.317 ( -0.938 -9.018 -0.505) 9.081 8.581 ( -0.718 8.108 1.203) 8.228 8.756 ( -2.038 8.851 -4.585) 10.174 9.015 ( 0.837 -0.419 -3.912) 4.023 9.183 ( 5.871 8.883 5.720) 12.087 9.610 ( -3.590 2.386 2.274) 4.874 9.884 ( -3.581 7.760 -0.149) 8.548 10.022 ( -1.057 1.972 4.030) 4.610 10.202 ( 0.641 2.099 3.094) 3.793 10.481 ( -4.845 -0.107 -6.168) 7.844 10.644 ( -0.218 2.601 0.377) 2.637 10.852 ( -8.568 -1.577 -3.869) 9.533 11.242 ( 9.371 -2.962 7.632) 12.444 11.512 ( 1.781 -9.900 -4.923) 11.199 11.690 ( 1.499 1.834 0.652) 2.457 11.894 ( -1.184 3.647 -3.563) 5.234 12.615 ( 3.783 8.664 2.523) 9.784 12.701 ( -7.551 12.395 -4.874) 15.310 13.162 ( 0.200 -0.095 6.844) 6.847 13.497 ( 1.042 -5.268 -3.486) 6.402 15.407 ( 4.556 0.290 3.142) 5.542 15.577 ( -13.589 4.300 7.758) 16.228 15.789 ( -5.671 -3.081 0.817) 6.505 15.937 ( 3.313 -5.876 -0.211) 6.749 16.332 ( 6.222 0.765 6.615) 9.114 16.493 ( 6.496 13.410 4.263) 15.499 16.561 ( -5.280 5.574 2.932) 8.219 16.896 ( 1.966 8.135 -4.886) 9.691 17.616 ( 3.653 -7.367 -13.450) 15.764 17.746 ( -5.467 -1.970 -12.496) 13.781 18.762 ( -15.882 -7.044 3.429) 17.709 19.131 ( 17.979 -10.061 8.434) 22.262 ======================= Grid point 117 (49/170) ======================= q-point: (-0.36 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -4.805 2.261 0.997) 5.403 1.683 ( -6.045 6.303 -2.732) 9.151 1.961 ( -2.325 3.598 -5.123) 6.678 2.290 ( -0.960 -0.463 14.222) 14.262 2.372 ( 4.297 -0.160 -0.855) 4.384 2.513 ( 7.709 5.588 -2.389) 9.816 2.656 ( 9.516 0.662 -1.243) 9.620 2.732 ( 2.389 0.866 5.564) 6.117 2.940 ( -4.927 3.252 -4.060) 7.164 3.113 ( 5.415 -2.914 2.073) 6.490 3.505 ( -4.033 -7.349 -2.290) 8.690 3.669 ( 6.762 -8.003 6.271) 12.211 3.969 ( -1.623 1.751 -8.505) 8.834 4.092 ( -5.456 -1.246 -5.974) 8.185 4.126 ( 1.559 0.694 -4.344) 4.667 4.240 ( -2.273 -3.723 -3.577) 5.641 4.668 ( -3.037 1.190 -0.165) 3.266 4.957 ( -1.329 -6.603 -3.102) 7.416 5.359 ( 6.447 2.626 -0.957) 7.026 5.623 ( 14.402 -0.413 1.421) 14.478 6.578 ( 0.972 -6.038 6.965) 9.269 6.697 ( 4.166 -2.436 9.594) 10.740 6.872 ( 1.451 4.195 1.930) 4.840 7.096 ( -1.326 -4.053 -10.780) 11.593 7.367 ( 1.793 -2.092 -1.297) 3.046 7.511 ( 5.794 2.122 0.680) 6.208 7.980 ( -2.585 -12.393 0.404) 12.667 8.198 ( 0.679 -1.112 -5.209) 5.369 8.348 ( -2.704 -14.387 6.630) 16.070 8.597 ( -1.585 3.092 3.286) 4.782 8.696 ( 2.954 5.595 -5.232) 8.211 8.936 ( -0.877 -7.378 -9.451) 12.022 9.337 ( 2.201 11.766 6.995) 13.864 9.508 ( -8.059 8.031 -5.403) 12.595 9.802 ( -6.290 9.777 2.575) 11.907 10.015 ( -3.672 0.247 2.159) 4.267 10.244 ( -0.650 2.969 4.297) 5.263 10.352 ( -4.868 1.295 -1.170) 5.171 10.637 ( -3.936 -0.000 3.122) 5.024 10.689 ( -4.814 1.397 -3.719) 6.241 11.363 ( 0.340 -7.826 -3.859) 8.732 11.583 ( 10.103 -4.766 3.106) 11.595 11.734 ( 1.355 0.752 -0.972) 1.830 11.847 ( 2.082 0.772 -2.756) 3.539 12.506 ( -7.708 14.930 -4.858) 17.491 12.706 ( 2.017 7.495 4.602) 9.023 13.236 ( 0.147 -1.979 5.079) 5.453 13.488 ( 2.571 -5.520 -3.161) 6.861 15.316 ( -18.988 5.666 1.110) 19.846 15.547 ( 4.791 1.799 5.899) 7.809 15.791 ( -2.698 -0.382 6.461) 7.012 15.984 ( 2.658 -10.249 0.093) 10.588 16.441 ( -2.183 2.431 -2.228) 3.954 16.522 ( 3.806 4.657 5.121) 7.899 16.688 ( 2.381 7.545 8.535) 11.638 16.874 ( 3.548 9.756 -5.517) 11.757 17.364 ( -8.634 -4.062 -9.219) 13.268 17.689 ( 5.830 -3.257 -9.024) 11.226 18.495 ( -15.637 -5.942 -3.911) 17.178 19.544 ( 19.151 -10.020 8.361) 23.175 ======================= Grid point 118 (50/170) ======================= q-point: (-0.27 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -15.360 7.981 -4.735) 17.945 1.387 ( -18.715 12.347 -4.971) 22.966 2.072 ( 15.218 2.972 -5.446) 16.435 2.238 ( -20.022 10.567 -1.795) 22.710 2.450 ( 4.152 -4.077 3.026) 6.559 2.544 ( -0.008 -1.538 -4.727) 4.971 2.780 ( 1.006 -0.182 2.200) 2.426 2.798 ( 4.351 1.738 4.151) 6.259 2.972 ( 11.412 2.249 5.758) 12.979 3.190 ( 2.839 -2.897 -2.468) 4.748 3.447 ( 1.590 -8.348 -3.033) 9.023 3.785 ( 2.615 -1.355 -2.225) 3.691 3.922 ( 4.325 -3.833 -1.636) 6.006 3.985 ( -0.184 0.822 -1.433) 1.662 4.173 ( -2.221 -4.903 0.282) 5.390 4.201 ( 4.593 -1.904 3.080) 5.849 4.616 ( -5.216 7.580 1.548) 9.330 4.902 ( -1.295 -7.346 -1.436) 7.597 5.507 ( 13.017 2.244 -1.361) 13.279 5.906 ( 18.217 -2.724 0.480) 18.426 6.627 ( 0.764 -8.496 1.063) 8.596 6.917 ( 0.074 3.009 2.945) 4.211 6.941 ( 5.930 -5.029 15.101) 16.986 6.969 ( 2.545 -3.577 -10.967) 11.813 7.395 ( 2.947 -2.208 -1.284) 3.899 7.611 ( 6.296 4.950 -1.531) 8.154 7.933 ( -2.604 -7.721 -0.547) 8.167 8.167 ( 0.491 -4.980 -1.198) 5.146 8.326 ( -8.156 -7.791 6.932) 13.239 8.516 ( -8.314 -0.711 -0.646) 8.370 8.724 ( -0.433 -9.263 -12.310) 15.412 8.833 ( 2.568 -0.721 0.318) 2.686 9.237 ( -10.710 9.996 -10.497) 18.022 9.388 ( -2.870 9.918 2.902) 10.725 9.706 ( -8.022 12.013 0.338) 14.449 10.014 ( -0.457 1.572 4.972) 5.235 10.267 ( -1.400 0.294 1.868) 2.353 10.294 ( -2.555 4.327 1.325) 5.197 10.552 ( -3.797 1.632 -2.997) 5.105 10.640 ( -6.228 0.706 7.154) 9.511 11.288 ( -0.090 -5.039 -6.103) 7.915 11.671 ( 0.609 -0.054 -6.409) 6.438 11.818 ( 8.109 -6.769 3.879) 11.252 11.917 ( 4.198 -0.924 4.003) 5.874 12.373 ( -1.685 14.703 -4.181) 15.378 12.779 ( 0.295 5.615 4.946) 7.489 13.276 ( -0.529 -2.877 2.867) 4.096 13.513 ( 4.127 -4.109 -2.360) 6.284 15.020 ( -18.396 5.055 2.278) 19.213 15.645 ( -1.160 -0.864 2.284) 2.704 15.807 ( -2.994 6.530 5.748) 9.200 16.042 ( 3.537 -12.787 1.168) 13.319 16.370 ( -0.667 -0.108 -3.276) 3.345 16.575 ( -2.295 4.554 -3.893) 6.416 16.717 ( 0.353 -2.638 3.403) 4.320 16.972 ( 6.413 13.502 1.950) 15.075 17.240 ( 0.223 4.135 -0.356) 4.156 17.692 ( 0.675 -4.758 0.975) 4.903 18.164 ( -13.054 -4.257 -12.090) 18.295 19.927 ( 17.064 -9.932 5.402) 20.470 ======================= Grid point 119 (51/170) ======================= q-point: (-0.18 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -15.951 17.540 -5.743) 24.395 1.034 ( -18.721 14.856 -0.327) 23.902 1.737 ( -32.285 19.540 3.146) 37.869 2.251 ( 3.221 1.969 -13.708) 14.218 2.375 ( 7.417 0.719 -5.672) 9.365 2.601 ( 2.670 -6.947 5.385) 9.186 2.832 ( 0.236 -4.618 0.599) 4.663 2.901 ( 3.380 1.920 1.570) 4.193 3.156 ( 2.495 3.497 -3.165) 5.335 3.294 ( 13.599 -1.058 3.644) 14.118 3.489 ( 4.586 -7.928 0.627) 9.181 3.775 ( 1.933 2.283 -1.374) 3.292 3.934 ( 1.883 -4.346 -1.948) 5.121 4.116 ( 5.555 -2.271 6.257) 8.670 4.144 ( -2.422 -3.346 2.182) 4.671 4.311 ( 3.794 -3.088 2.199) 5.363 4.516 ( -7.770 8.198 0.620) 11.312 4.886 ( -0.672 -6.840 0.561) 6.896 5.751 ( 16.988 0.817 -0.786) 17.026 6.223 ( 19.351 -5.663 -1.010) 20.188 6.622 ( 0.440 -9.328 -3.333) 9.915 6.886 ( 2.914 0.995 -7.324) 7.944 7.014 ( 3.327 -2.662 3.551) 5.547 7.174 ( 3.925 -4.596 9.240) 11.041 7.441 ( 4.868 -2.694 -0.477) 5.584 7.667 ( 2.692 3.832 -2.082) 5.125 7.914 ( 1.338 -3.408 0.044) 3.662 8.169 ( -3.459 -9.842 3.506) 11.005 8.262 ( -9.562 -5.529 7.507) 13.355 8.330 ( -12.827 -6.852 -2.177) 14.704 8.511 ( -4.536 0.633 -7.572) 8.849 8.755 ( -9.798 3.041 -8.736) 13.475 9.078 ( 0.625 4.230 -1.829) 4.651 9.313 ( -6.577 11.721 -2.464) 13.664 9.642 ( 0.081 7.517 5.036) 9.049 10.063 ( -0.011 1.687 2.600) 3.100 10.215 ( -3.117 -1.752 -3.779) 5.203 10.283 ( -0.246 2.603 -1.225) 2.888 10.477 ( -2.473 5.310 -0.752) 5.905 10.611 ( -7.600 1.067 7.898) 11.013 11.270 ( 3.322 -1.056 -0.913) 3.604 11.611 ( -2.272 0.129 -2.138) 3.122 11.896 ( 2.667 -9.259 -2.270) 9.899 12.079 ( 5.488 -0.248 6.142) 8.240 12.352 ( 3.876 10.279 -3.910) 11.661 12.826 ( 0.026 5.292 2.703) 5.942 13.289 ( -1.567 -1.980 2.604) 3.627 13.568 ( 6.089 -3.796 -2.868) 7.727 14.763 ( -17.722 4.591 5.212) 19.035 15.555 ( -6.233 -1.410 -3.318) 7.200 15.816 ( -1.436 4.525 1.090) 4.870 16.107 ( 2.331 -9.370 0.885) 9.696 16.378 ( 1.996 -3.238 2.160) 4.374 16.483 ( -1.452 1.322 -2.715) 3.350 16.773 ( 2.528 -1.467 -0.098) 2.924 17.043 ( 2.918 6.953 -1.920) 7.781 17.289 ( 2.815 13.504 -0.600) 13.808 17.717 ( -15.907 -3.682 10.571) 19.450 17.864 ( 4.571 -3.379 -10.631) 12.056 20.213 ( 12.692 -9.854 0.855) 16.091 ======================= Grid point 120 (52/170) ======================= q-point: (-0.09 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( -9.862 23.315 3.434) 25.547 0.775 ( -18.000 15.496 10.231) 25.861 1.356 ( -23.487 34.008 16.999) 44.689 2.098 ( -1.731 0.259 -5.659) 5.924 2.446 ( 9.862 -1.671 -15.621) 18.549 2.705 ( 4.273 -6.169 1.607) 7.674 2.805 ( -0.585 -3.199 -2.027) 3.832 2.954 ( 0.338 -0.222 3.064) 3.090 3.170 ( 3.414 6.308 -3.345) 7.915 3.476 ( 5.756 -3.834 0.334) 6.924 3.590 ( 4.317 -5.121 0.420) 6.711 3.828 ( 1.658 0.474 4.284) 4.619 3.974 ( 1.829 -2.614 3.601) 4.811 4.124 ( -1.580 0.251 -0.033) 1.600 4.225 ( 0.700 -1.005 2.668) 2.936 4.370 ( 0.977 -3.677 1.267) 4.010 4.410 ( -5.412 4.814 2.070) 7.533 4.876 ( -1.028 -6.527 -0.101) 6.608 6.005 ( 13.438 -1.360 -1.744) 13.619 6.476 ( 12.042 -9.060 -3.305) 15.428 6.593 ( 1.670 -8.152 -4.264) 9.350 6.879 ( 6.857 4.180 -8.094) 11.402 7.064 ( -0.497 -7.329 -0.107) 7.347 7.265 ( 2.163 -0.077 -0.567) 2.237 7.569 ( 9.200 -3.100 1.252) 9.789 7.650 ( -4.094 0.333 -0.132) 4.109 7.968 ( 3.247 -2.482 0.889) 4.183 8.056 ( -10.663 -9.834 -6.859) 16.045 8.069 ( -15.044 -7.718 2.634) 17.113 8.151 ( -5.722 -4.598 1.282) 7.451 8.513 ( -4.566 9.703 8.442) 13.647 8.583 ( 2.465 0.369 5.535) 6.071 9.087 ( 1.723 5.009 0.717) 5.346 9.179 ( -5.166 10.517 -1.004) 11.760 9.756 ( 2.746 1.567 3.228) 4.518 10.043 ( -2.752 -1.235 -3.162) 4.370 10.122 ( -1.058 -2.160 -3.392) 4.158 10.249 ( 1.902 2.282 -4.893) 5.724 10.444 ( -1.889 8.281 0.025) 8.494 10.560 ( -6.611 1.718 4.371) 8.109 11.376 ( 5.974 0.563 4.979) 7.797 11.534 ( -5.961 0.906 0.776) 6.079 11.926 ( 3.348 -6.857 -0.295) 7.636 12.175 ( 0.332 -2.655 1.363) 3.002 12.387 ( 4.529 5.425 -3.356) 7.823 12.833 ( 0.438 6.294 -2.347) 6.732 13.283 ( -3.228 -0.196 3.560) 4.809 13.651 ( 8.052 -4.222 -4.000) 9.933 14.551 ( -15.681 4.783 7.072) 17.855 15.450 ( -1.790 -1.510 -1.072) 2.576 15.782 ( -0.435 1.407 -4.039) 4.299 16.146 ( 2.162 -7.335 -0.118) 7.648 16.409 ( -1.352 -4.668 1.777) 5.175 16.496 ( 0.377 1.016 3.871) 4.019 16.792 ( 4.327 -1.854 -6.501) 8.027 17.047 ( -0.091 3.406 -1.888) 3.895 17.273 ( -3.808 8.724 -0.700) 9.544 17.426 ( -4.787 8.460 -16.557) 19.200 18.075 ( 3.018 -3.849 22.803) 23.322 20.355 ( 6.600 -9.737 -4.532) 12.605 ======================= Grid point 121 (53/170) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 1.168 20.707 7.642) 22.103 1.249 ( 3.634 22.953 4.769) 23.723 2.054 ( -4.771 23.803 3.576) 24.539 2.111 ( 4.691 0.891 1.780) 5.096 2.348 ( 2.364 6.268 -3.831) 7.717 2.709 ( 1.603 -3.371 4.317) 5.707 2.790 ( 1.190 3.022 -4.233) 5.335 2.989 ( 0.812 0.460 3.842) 3.954 3.215 ( -0.705 -0.028 -6.506) 6.544 3.350 ( 0.407 -10.643 -1.842) 10.808 3.450 ( -3.069 -6.619 -6.447) 9.736 3.820 ( -1.509 -6.462 2.127) 6.968 4.003 ( 0.967 -2.476 10.792) 11.115 4.178 ( -1.356 4.491 -1.194) 4.841 4.220 ( 0.288 -3.513 -0.383) 3.546 4.315 ( -4.103 2.081 3.141) 5.571 4.481 ( 2.095 3.058 3.219) 4.909 4.689 ( -1.720 -7.809 0.738) 8.030 6.022 ( 2.293 -5.617 -4.318) 7.447 6.260 ( -0.289 -13.138 -5.600) 14.284 6.451 ( 0.470 -5.805 1.350) 5.978 6.778 ( -1.734 -7.634 -6.174) 9.970 7.035 ( 6.025 -0.375 -4.927) 7.792 7.169 ( -6.794 -4.337 -4.691) 9.326 7.595 ( -3.081 2.391 -0.902) 4.003 7.649 ( 5.797 -3.733 1.712) 7.104 7.753 ( 1.470 -1.961 -4.143) 4.813 7.795 ( 1.576 -5.877 -1.654) 6.305 7.963 ( -0.833 -7.589 3.405) 8.360 7.983 ( -1.748 -4.499 3.029) 5.698 8.652 ( -1.072 1.635 10.209) 10.395 8.761 ( 2.689 -2.969 12.306) 12.941 9.275 ( -1.075 7.869 5.082) 9.429 9.431 ( 3.925 9.673 2.902) 10.835 9.761 ( -2.209 4.027 -5.767) 7.372 9.916 ( -2.832 -1.718 -4.728) 5.773 10.005 ( 2.584 -0.876 -6.036) 6.624 10.334 ( 2.584 -0.545 1.438) 3.007 10.550 ( -2.606 5.959 -0.093) 6.505 10.615 ( -0.987 5.345 0.823) 5.497 11.470 ( -5.922 2.277 0.525) 6.366 11.558 ( 5.827 0.183 6.660) 8.851 11.828 ( 3.643 -7.452 0.166) 8.297 12.024 ( -4.956 -6.843 -0.890) 8.496 12.550 ( 2.575 8.592 -2.495) 9.310 12.932 ( -2.225 7.826 -6.750) 10.572 13.308 ( -0.760 1.313 5.096) 5.317 13.597 ( 1.081 -5.404 -0.622) 5.546 14.629 ( -2.936 11.372 4.998) 12.764 15.421 ( 3.018 -3.075 -0.904) 4.402 15.719 ( -0.870 -2.701 2.760) 3.959 15.990 ( -0.989 -5.531 -4.383) 7.126 16.332 ( 1.056 -5.651 2.467) 6.256 16.504 ( -3.533 -0.983 0.605) 3.717 16.671 ( 0.656 -2.155 -16.370) 16.525 16.951 ( 1.786 -3.162 -4.546) 5.818 17.346 ( 0.392 8.184 2.995) 8.723 17.702 ( 0.400 17.527 -5.011) 18.234 18.349 ( 0.753 1.944 23.248) 23.342 20.043 ( -0.394 -17.080 -8.964) 19.294 ======================= Grid point 122 (54/170) ======================= q-point: ( 0.09 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 9.792 21.694 2.348) 23.917 1.461 ( 7.984 16.673 11.580) 21.813 1.996 ( 2.222 7.245 -7.855) 10.915 2.245 ( 9.032 0.143 -3.064) 9.539 2.386 ( -1.923 10.225 5.190) 11.626 2.737 ( -2.865 -4.034 2.175) 5.405 2.766 ( -1.694 3.535 2.831) 4.836 3.018 ( -3.507 4.884 0.571) 6.040 3.127 ( 0.481 -4.190 -4.955) 6.507 3.221 ( -6.179 -6.214 -6.741) 11.056 3.403 ( -1.716 -8.144 5.135) 9.780 3.753 ( -4.836 -7.533 -4.018) 9.812 4.082 ( -4.179 1.213 1.432) 4.581 4.148 ( -2.452 -0.457 8.012) 8.392 4.210 ( -3.198 5.557 -0.318) 6.420 4.298 ( 0.361 -1.649 5.326) 5.587 4.574 ( 3.378 2.975 2.425) 5.113 4.673 ( -0.643 -7.809 0.318) 7.842 5.925 ( -7.676 -4.238 -3.766) 9.543 6.128 ( -6.070 -11.156 -7.243) 14.621 6.466 ( -0.219 -6.097 0.898) 6.167 6.703 ( -0.420 -2.730 -5.664) 6.301 6.923 ( -8.621 -5.168 -7.029) 12.265 7.085 ( 1.333 -6.869 1.494) 7.155 7.486 ( -6.164 2.662 -2.473) 7.155 7.760 ( 4.127 -2.415 0.356) 4.794 7.785 ( 3.340 -4.026 -2.055) 5.620 7.845 ( 3.863 -2.171 -0.846) 4.511 7.958 ( 3.688 -4.470 -0.740) 5.842 8.111 ( 8.461 -6.691 4.324) 11.622 8.807 ( 2.639 -0.690 13.142) 13.422 8.941 ( 1.028 -4.048 11.998) 12.704 9.349 ( 2.631 6.983 6.971) 10.212 9.480 ( -0.767 2.972 -0.639) 3.136 9.695 ( 2.761 4.963 -6.272) 8.461 9.811 ( 0.054 -1.306 -9.171) 9.263 10.050 ( 7.072 5.100 -0.478) 8.732 10.340 ( -1.436 1.611 -2.762) 3.505 10.537 ( -0.159 6.094 1.375) 6.250 10.629 ( 1.924 3.255 1.531) 4.079 11.392 ( -4.938 -0.083 2.476) 5.524 11.715 ( 3.779 -1.077 3.818) 5.479 11.866 ( -0.884 -4.825 3.237) 5.877 11.915 ( -5.004 -6.252 -2.438) 8.371 12.579 ( 4.032 9.170 -1.849) 10.187 12.819 ( -0.796 7.567 -7.236) 10.500 13.331 ( -3.043 3.288 3.928) 5.958 13.569 ( -3.356 -5.074 0.121) 6.085 14.734 ( 7.354 11.043 5.645) 14.418 15.467 ( 4.697 -5.803 -3.673) 8.320 15.732 ( 0.673 4.525 -1.729) 4.890 15.949 ( -3.206 -10.567 3.564) 11.603 16.378 ( 0.857 -6.286 -1.044) 6.429 16.435 ( -2.433 1.365 -7.928) 8.405 16.514 ( 4.401 -4.789 -4.055) 7.665 17.002 ( 9.311 -5.221 -5.756) 12.128 17.397 ( 0.134 12.174 3.782) 12.748 17.618 ( -3.833 21.288 -4.583) 22.111 18.603 ( -3.080 -3.774 24.841) 25.314 19.856 ( -6.817 -16.407 -13.370) 22.235 ======================= Grid point 123 (55/170) ======================= q-point: ( 0.18 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 11.262 17.601 1.193) 20.930 1.691 ( 5.020 13.018 8.635) 16.408 1.986 ( 9.595 0.195 -11.608) 15.062 2.244 ( -5.450 3.003 -6.533) 9.023 2.308 ( -4.875 3.331 -4.994) 7.733 2.680 ( -5.538 -4.432 0.197) 7.096 2.799 ( -3.440 -4.918 9.765) 11.461 2.912 ( -1.582 5.404 -5.962) 8.201 3.077 ( -2.460 -4.321 -4.088) 6.437 3.155 ( -2.428 5.150 5.816) 8.139 3.481 ( 0.001 -7.478 9.666) 12.220 3.593 ( -6.052 -8.247 -6.520) 12.131 3.991 ( -4.829 -0.367 -1.031) 4.952 4.119 ( -4.448 4.877 0.340) 6.609 4.247 ( 0.734 -1.194 9.189) 9.295 4.410 ( 3.023 2.525 6.754) 7.819 4.605 ( -0.969 -1.218 0.143) 1.564 4.700 ( 2.938 -6.421 0.129) 7.063 5.726 ( -11.212 -2.508 -1.959) 11.655 5.920 ( -9.277 -8.680 -6.223) 14.147 6.455 ( -2.755 -4.161 -0.623) 5.029 6.583 ( -3.293 1.705 -5.316) 6.481 6.823 ( 2.125 -6.365 -2.865) 7.297 7.127 ( -1.265 -13.748 4.711) 14.587 7.378 ( -3.479 2.681 -2.067) 4.854 7.718 ( -5.450 -2.318 0.116) 5.923 7.802 ( -0.322 -4.436 -2.358) 5.034 7.885 ( 2.593 -5.552 -0.994) 6.208 8.119 ( 13.291 0.678 0.935) 13.341 8.298 ( 9.132 -5.254 1.016) 10.584 8.967 ( 0.237 -1.032 8.085) 8.154 9.051 ( -1.693 -1.092 9.758) 9.963 9.456 ( 1.163 3.890 -0.742) 4.127 9.493 ( 4.145 4.969 2.630) 6.984 9.677 ( 5.217 2.351 -8.616) 10.343 9.754 ( 4.030 -1.443 -3.052) 5.258 10.152 ( 4.158 5.869 -0.808) 7.238 10.259 ( -1.288 5.138 -6.515) 8.396 10.589 ( 3.779 5.109 3.916) 7.464 10.705 ( 3.296 1.945 3.119) 4.937 11.365 ( -3.194 -4.496 3.886) 6.747 11.680 ( -6.525 -3.841 -4.517) 8.816 11.780 ( -4.433 -5.547 -2.020) 7.382 11.975 ( 2.176 0.887 8.092) 8.426 12.655 ( 6.554 11.180 0.405) 12.966 12.762 ( 2.518 8.775 -5.884) 10.861 13.295 ( -5.238 3.751 2.220) 6.814 13.511 ( -3.900 -5.587 0.885) 6.871 14.961 ( 11.328 9.066 5.533) 15.528 15.489 ( 5.685 -4.587 -7.394) 10.394 15.678 ( -4.267 2.902 -1.872) 5.489 15.950 ( -2.195 -5.678 3.985) 7.276 16.277 ( -0.366 -6.094 -8.636) 10.576 16.402 ( 2.551 2.165 -1.393) 3.625 16.715 ( 12.903 -5.690 8.012) 16.219 17.104 ( 11.269 -7.314 -7.106) 15.198 17.400 ( -2.548 15.300 -2.111) 15.653 17.500 ( -5.096 19.503 -0.176) 20.159 18.791 ( -7.121 -7.274 23.403) 25.521 19.530 ( -11.691 -15.683 -16.509) 25.597 ======================= Grid point 124 (56/170) ======================= q-point: ( 0.27 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 2.865 13.193 -1.599) 13.595 1.822 ( 2.934 3.916 1.524) 5.125 1.966 ( -8.088 2.832 -7.359) 11.296 2.010 ( 5.556 1.079 -10.066) 11.548 2.287 ( 2.988 5.695 2.608) 6.940 2.576 ( -6.964 -5.437 0.725) 8.865 2.755 ( -5.335 0.881 -0.727) 5.456 2.918 ( -0.914 -6.581 0.582) 6.670 2.966 ( -3.834 2.663 -2.160) 5.143 3.144 ( -5.216 5.638 3.301) 8.359 3.414 ( -6.447 -6.765 -5.477) 10.832 3.573 ( -3.729 -5.933 7.049) 9.939 3.954 ( 2.797 -4.026 0.082) 4.903 4.093 ( 0.522 0.373 0.945) 1.142 4.397 ( 2.764 0.757 11.600) 11.949 4.511 ( 2.695 3.151 1.564) 4.432 4.588 ( -0.815 -3.854 0.620) 3.988 4.731 ( 1.827 -8.222 -2.383) 8.753 5.538 ( -9.525 -1.121 -0.150) 9.592 5.696 ( -10.137 -5.423 -4.435) 12.322 6.351 ( -4.272 -0.471 -3.134) 5.319 6.563 ( 1.563 0.103 1.156) 1.947 6.860 ( 2.878 -2.790 0.526) 4.043 7.131 ( -1.150 -17.118 0.088) 17.156 7.325 ( -2.998 2.114 1.728) 4.055 7.617 ( -5.891 -0.615 -1.102) 6.025 7.760 ( -1.074 -4.758 -1.395) 5.073 7.895 ( 0.667 -8.748 -2.405) 9.097 8.362 ( 11.019 1.488 3.295) 11.597 8.413 ( 5.415 -1.785 -0.922) 5.776 9.006 ( -1.964 3.690 4.188) 5.918 9.092 ( -0.919 -0.428 0.689) 1.225 9.452 ( -2.078 2.866 1.020) 3.684 9.516 ( 1.809 7.209 -6.131) 9.635 9.727 ( 7.716 -0.872 -1.800) 7.971 9.871 ( 6.845 -1.460 2.756) 7.522 10.156 ( 0.073 7.137 -3.728) 8.052 10.234 ( 7.402 2.078 -2.676) 8.141 10.710 ( 4.054 4.243 3.590) 6.879 10.800 ( 3.627 2.549 3.473) 5.632 11.329 ( -5.956 -5.583 -0.365) 8.171 11.494 ( -8.194 -9.260 -1.644) 12.474 11.724 ( -0.329 1.420 -1.469) 2.069 12.064 ( -0.964 0.833 5.100) 5.257 12.746 ( 3.054 10.949 -4.920) 12.386 12.809 ( 8.642 11.258 2.345) 14.385 13.216 ( -5.741 3.619 0.637) 6.816 13.473 ( -2.409 -6.495 2.028) 7.218 15.190 ( 9.173 4.199 2.240) 10.334 15.501 ( 5.123 1.867 -5.578) 7.801 15.591 ( -4.776 -3.106 2.002) 6.039 15.980 ( 3.067 2.282 1.393) 4.068 16.210 ( -2.307 -5.852 -0.111) 6.291 16.454 ( 5.678 4.166 -2.326) 7.417 16.988 ( 4.148 7.242 3.943) 9.230 17.206 ( 9.857 -7.568 -6.097) 13.842 17.339 ( 6.341 2.461 -3.031) 7.446 17.459 ( -2.702 15.966 3.361) 16.539 18.884 ( -10.810 -9.569 19.604) 24.346 19.118 ( -14.138 -15.220 -17.776) 27.341 ======================= Grid point 125 (57/170) ======================= q-point: ( 0.36 0.25 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -5.719 11.142 2.534) 12.778 1.788 ( 0.255 3.766 -7.239) 8.164 1.832 ( -4.798 -0.588 -0.724) 4.888 2.076 ( 12.199 0.871 -7.969) 14.598 2.404 ( 3.633 2.488 4.101) 6.017 2.495 ( -4.651 -4.294 4.902) 8.006 2.665 ( -5.606 4.182 1.138) 7.086 2.818 ( -5.177 -2.364 -3.959) 6.932 2.936 ( -1.648 1.233 4.168) 4.649 3.112 ( -2.894 2.401 -0.190) 3.765 3.233 ( -6.642 -3.049 -4.554) 8.611 3.533 ( -5.703 -5.546 2.647) 8.384 4.068 ( 6.568 -6.289 2.769) 9.506 4.123 ( 2.627 -3.912 -2.070) 5.147 4.528 ( 1.452 0.230 -2.806) 3.168 4.552 ( 1.398 5.168 4.169) 6.786 4.595 ( 1.398 -8.079 0.527) 8.216 4.706 ( -0.419 -11.632 -3.201) 12.072 5.414 ( -6.237 0.319 1.371) 6.394 5.500 ( -8.130 -1.777 -2.542) 8.701 6.284 ( -1.359 -0.688 -0.403) 1.576 6.619 ( 1.850 2.384 2.764) 4.092 6.901 ( 0.014 0.231 1.520) 1.537 7.116 ( 0.639 -16.862 -1.422) 16.934 7.314 ( -1.051 0.665 2.932) 3.185 7.503 ( -5.771 1.770 -1.824) 6.306 7.746 ( 0.677 -7.647 -0.493) 7.693 7.863 ( -1.213 -8.995 -1.794) 9.252 8.393 ( 2.531 -0.893 -8.557) 8.968 8.588 ( 3.352 0.647 8.542) 9.199 9.033 ( 2.158 3.366 -2.224) 4.575 9.076 ( 1.696 7.251 1.138) 7.533 9.347 ( -5.833 9.445 -7.230) 13.248 9.521 ( 1.616 -0.951 2.524) 3.144 9.841 ( 4.302 -5.012 2.989) 7.250 9.982 ( 5.482 2.790 -1.384) 6.305 10.170 ( 3.268 7.786 1.356) 8.553 10.388 ( 10.144 -1.417 1.214) 10.314 10.787 ( 1.537 2.299 1.635) 3.212 10.883 ( 3.130 4.017 0.769) 5.151 11.150 ( -9.518 -3.535 -4.003) 10.914 11.403 ( -4.314 -12.522 0.604) 13.258 11.725 ( 0.905 3.905 -0.016) 4.009 12.066 ( -2.808 1.902 1.846) 3.861 12.741 ( 2.625 11.528 -3.613) 12.363 12.958 ( 5.962 8.955 0.201) 10.760 13.145 ( -3.547 2.617 1.950) 4.820 13.467 ( -1.353 -5.221 1.348) 5.559 15.281 ( 4.161 -0.237 -3.344) 5.344 15.508 ( -3.885 2.189 4.699) 6.478 15.641 ( 6.087 -3.062 3.657) 7.733 16.084 ( 6.647 5.360 0.571) 8.558 16.184 ( -4.348 -1.145 5.352) 6.989 16.516 ( 5.136 8.731 -3.215) 10.628 16.916 ( -5.812 15.219 -2.998) 16.564 17.252 ( 0.640 2.842 -3.218) 4.341 17.415 ( 8.965 3.408 -10.198) 14.000 17.665 ( 13.402 -8.493 11.802) 19.774 18.689 ( -12.131 -16.042 -16.630) 26.097 18.878 ( -13.492 -10.883 14.663) 22.704 ======================= Grid point 126 (58/170) ======================= q-point: ( 0.45 0.25 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -4.911 7.286 3.628) 9.506 1.745 ( -3.771 -0.344 -0.439) 3.812 1.815 ( 8.610 5.008 2.744) 10.332 2.196 ( 12.097 2.159 -7.297) 14.291 2.426 ( -2.369 -5.053 1.529) 5.786 2.518 ( -4.512 -2.174 2.821) 5.748 2.608 ( -5.051 4.249 5.078) 8.327 2.732 ( -0.117 1.721 1.696) 2.419 2.930 ( -5.275 2.500 -4.540) 7.395 3.087 ( 4.828 0.420 7.281) 8.747 3.161 ( -0.804 0.058 -1.429) 1.641 3.475 ( -4.050 -6.686 1.416) 7.944 4.108 ( 0.309 -5.533 -4.293) 7.010 4.177 ( 3.054 -6.119 0.042) 6.839 4.448 ( -1.800 1.437 -12.284) 12.498 4.521 ( -0.521 1.333 -5.990) 6.159 4.630 ( -0.992 -10.630 -0.040) 10.676 4.701 ( 2.029 -11.360 1.279) 11.610 5.362 ( -1.601 1.620 1.353) 2.649 5.390 ( -3.255 0.531 0.137) 3.301 6.291 ( 0.578 -1.660 2.555) 3.101 6.663 ( -0.792 2.584 2.425) 3.631 6.898 ( -0.862 2.840 0.332) 2.986 7.110 ( -0.235 -17.999 -1.140) 18.037 7.359 ( 1.299 1.271 2.718) 3.269 7.399 ( -2.912 4.977 -1.429) 5.940 7.770 ( 0.803 -10.166 1.510) 10.309 7.836 ( 0.543 -9.145 -0.164) 9.162 8.321 ( 2.134 -0.870 -10.255) 10.511 8.656 ( -2.631 -1.941 3.736) 4.964 9.001 ( 0.928 3.250 -5.248) 6.242 9.143 ( -4.204 7.013 -8.363) 11.695 9.240 ( 7.079 13.580 6.621) 16.684 9.593 ( 0.534 -0.863 6.195) 6.277 9.923 ( -0.137 -6.257 5.457) 8.304 10.039 ( 3.688 5.954 -1.262) 7.116 10.257 ( 1.675 8.043 4.939) 9.586 10.522 ( 3.599 -2.919 -1.093) 4.761 10.768 ( -1.791 3.545 -4.229) 5.801 10.934 ( -0.485 -1.260 -1.254) 1.843 11.012 ( -0.205 -0.963 1.863) 2.107 11.336 ( -2.574 -12.074 -2.059) 12.516 11.741 ( 0.662 4.732 0.511) 4.806 12.029 ( -2.555 3.159 -0.201) 4.068 12.763 ( 3.043 10.883 -0.642) 11.319 13.003 ( 2.021 7.105 -2.440) 7.780 13.143 ( -1.424 2.033 3.352) 4.171 13.435 ( -2.386 -4.279 -1.939) 5.269 15.324 ( 4.741 1.094 -0.525) 4.894 15.518 ( -3.465 -2.553 8.536) 9.560 15.775 ( 1.630 -1.790 6.080) 6.545 16.113 ( -5.372 0.996 -1.037) 5.561 16.193 ( 0.931 7.672 2.464) 8.111 16.596 ( 6.361 13.936 3.530) 15.720 16.831 ( -0.653 11.463 -2.912) 11.845 17.181 ( -3.060 10.691 -3.455) 11.645 17.459 ( 10.729 -5.567 -13.038) 17.779 17.874 ( -2.647 -6.182 -1.212) 6.833 18.480 ( 6.344 -19.605 -2.129) 20.716 18.780 ( -13.457 -11.443 8.718) 19.698 ======================= Grid point 127 (59/170) ======================= q-point: (-0.45 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 1.221 3.418 1.241) 3.836 1.734 ( 4.806 1.706 -0.704) 5.148 2.048 ( 5.008 3.048 9.830) 11.446 2.300 ( 4.625 3.694 -2.279) 6.343 2.387 ( -8.377 0.600 -0.497) 8.413 2.402 ( 0.517 -1.869 2.541) 3.197 2.654 ( 0.562 0.190 6.699) 6.726 2.755 ( 2.357 10.130 -2.641) 10.730 2.898 ( 4.027 -3.629 2.754) 6.081 3.115 ( -1.709 2.763 -2.850) 4.322 3.307 ( 7.188 -4.324 9.610) 12.757 3.421 ( -3.128 -7.391 -1.061) 8.095 4.053 ( -1.684 -5.682 -2.546) 6.450 4.149 ( -1.058 -3.369 -6.991) 7.832 4.226 ( -6.270 -1.273 -12.730) 14.247 4.421 ( -0.482 3.050 -10.833) 11.264 4.593 ( -1.514 -7.654 -0.035) 7.802 4.760 ( 3.271 -13.097 -0.123) 13.500 5.362 ( -0.009 2.181 0.943) 2.376 5.425 ( 6.493 -0.253 0.967) 6.569 6.360 ( 1.761 -3.313 6.162) 7.214 6.644 ( -3.170 0.865 1.185) 3.493 6.897 ( 0.052 0.948 0.660) 1.156 7.064 ( -1.339 -12.750 -4.871) 13.714 7.335 ( -2.711 1.694 2.468) 4.039 7.463 ( 5.973 4.902 0.783) 7.766 7.768 ( -1.645 -9.070 0.604) 9.238 7.912 ( 4.033 -12.685 4.820) 14.157 8.240 ( 2.240 -1.453 -10.529) 10.862 8.616 ( -3.043 -5.262 -1.676) 6.305 8.939 ( -1.723 6.513 -5.693) 8.820 8.998 ( -1.627 4.944 -6.458) 8.295 9.447 ( 4.966 11.722 8.340) 15.219 9.669 ( 0.104 3.298 6.416) 7.215 9.962 ( -3.326 -4.425 6.613) 8.624 10.061 ( -1.836 6.222 0.613) 6.516 10.314 ( -1.372 6.543 5.330) 8.550 10.470 ( -4.170 -0.355 -2.971) 5.133 10.705 ( -0.308 3.028 -4.033) 5.053 10.822 ( -4.891 -1.182 -4.650) 6.851 11.160 ( 7.699 -4.224 4.214) 9.740 11.283 ( 0.916 -10.903 -3.503) 11.489 11.764 ( 0.558 5.066 2.219) 5.559 11.977 ( -1.881 3.800 -2.858) 5.113 12.823 ( 2.869 9.469 1.789) 10.055 12.970 ( -2.136 11.306 -4.397) 12.317 13.161 ( -1.227 0.250 4.127) 4.313 13.361 ( -0.992 -6.704 -4.113) 7.928 15.433 ( 5.588 2.083 4.023) 7.194 15.578 ( -3.556 -3.591 11.072) 12.171 15.774 ( -8.901 0.841 2.433) 9.266 15.962 ( -4.810 8.571 -3.780) 10.530 16.283 ( 2.597 -3.657 8.052) 9.217 16.707 ( -4.455 8.705 2.583) 10.114 16.849 ( 7.662 17.769 0.459) 19.356 17.114 ( 3.010 11.276 -6.911) 13.564 17.417 ( -0.995 -11.372 -12.285) 16.770 17.693 ( -2.853 -1.919 -8.808) 9.455 18.555 ( -11.328 -12.552 1.920) 17.017 18.837 ( 16.426 -17.363 8.305) 25.303 ======================= Grid point 128 (60/170) ======================= q-point: (-0.36 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 2.044 3.272 -3.299) 5.077 1.863 ( 4.966 8.281 1.069) 9.715 2.066 ( -2.495 6.993 -3.690) 8.291 2.253 ( -3.549 -2.237 6.671) 7.880 2.404 ( 2.449 2.889 4.501) 5.883 2.543 ( 6.907 -2.449 6.317) 9.675 2.708 ( -1.962 -2.923 3.165) 4.734 2.815 ( 5.782 12.475 -3.335) 14.149 3.020 ( 4.250 -0.900 3.013) 5.286 3.045 ( -1.123 0.777 -1.983) 2.408 3.331 ( -3.200 -8.186 -5.481) 10.358 3.507 ( 5.471 -6.138 7.582) 11.185 3.982 ( -0.394 -1.030 -8.655) 8.725 4.028 ( -4.969 -4.239 -2.412) 6.962 4.073 ( 1.358 -1.302 -3.121) 3.644 4.264 ( -1.207 2.400 -12.622) 12.905 4.608 ( 1.269 -6.932 2.588) 7.507 4.782 ( 0.002 -9.542 -1.468) 9.655 5.408 ( 5.727 1.835 -0.762) 6.061 5.591 ( 11.410 -2.606 1.266) 11.772 6.463 ( 0.281 -4.418 5.999) 7.456 6.632 ( 0.761 -3.223 4.094) 5.265 6.897 ( -0.802 -5.894 -1.089) 6.047 6.984 ( -0.452 -2.379 -4.700) 5.287 7.346 ( 0.372 1.116 2.817) 3.053 7.576 ( 6.253 2.894 0.424) 6.903 7.750 ( -0.626 -8.522 -0.043) 8.545 8.026 ( 0.110 -14.032 7.099) 15.726 8.164 ( 2.264 -1.845 -8.863) 9.332 8.521 ( -3.614 -8.866 -5.471) 11.027 8.836 ( -2.049 6.413 -6.592) 9.423 8.920 ( -1.464 4.828 -3.341) 6.051 9.553 ( -1.597 8.052 5.416) 9.834 9.679 ( -6.091 7.655 -1.781) 9.943 9.959 ( -5.698 -0.669 6.066) 8.349 10.021 ( -3.380 6.329 6.571) 9.730 10.365 ( -0.187 5.917 5.925) 8.376 10.384 ( -3.519 2.992 -1.353) 4.813 10.627 ( -3.343 -0.760 -4.204) 5.425 10.714 ( -2.977 0.776 -2.554) 3.998 11.203 ( 1.313 -6.820 -4.384) 8.213 11.399 ( 10.037 -9.403 1.956) 13.892 11.807 ( -0.206 4.644 3.014) 5.540 11.908 ( -0.807 3.786 -3.288) 5.079 12.832 ( -5.428 14.662 -4.187) 16.185 12.891 ( 0.325 8.401 1.814) 8.600 13.173 ( -0.682 -3.870 0.808) 4.012 13.359 ( 3.725 -5.643 -0.479) 6.778 15.480 ( -17.735 8.806 2.339) 19.939 15.568 ( 2.536 -0.167 5.845) 6.374 15.742 ( 4.373 -3.682 3.110) 6.508 15.900 ( -4.922 3.097 5.519) 8.018 16.424 ( 1.447 -4.480 7.493) 8.849 16.598 ( -6.272 5.938 0.046) 8.638 16.843 ( -5.117 2.956 -10.516) 12.063 17.171 ( 5.626 10.412 -4.032) 12.503 17.286 ( 3.054 3.732 1.316) 4.999 17.630 ( 3.289 -0.490 -7.003) 7.752 18.327 ( -11.795 -9.772 -5.975) 16.441 19.247 ( 19.380 -17.902 8.215) 27.633 ======================= Grid point 129 (61/170) ======================= q-point: (-0.27 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -4.565 10.521 -4.200) 12.213 1.719 ( -13.537 17.685 -5.173) 22.864 2.146 ( 13.449 3.656 -5.251) 14.893 2.361 ( 3.396 -2.468 6.461) 7.705 2.442 ( -4.515 3.390 2.511) 6.180 2.586 ( -11.833 3.464 -2.026) 12.495 2.722 ( 2.085 -1.494 4.862) 5.497 2.857 ( 7.694 5.156 -2.251) 9.531 3.027 ( 3.548 -0.103 0.534) 3.589 3.135 ( 4.209 -0.350 2.134) 4.732 3.251 ( 1.757 -9.499 -3.306) 10.210 3.678 ( 4.985 -6.239 5.797) 9.868 3.892 ( 0.838 -0.513 -9.581) 9.631 3.985 ( 1.285 -0.931 0.733) 1.748 4.102 ( 2.357 0.315 0.989) 2.575 4.167 ( 2.281 -2.729 -4.397) 5.655 4.671 ( 1.346 -7.849 3.560) 8.723 4.728 ( -3.917 -3.734 -1.746) 5.687 5.542 ( 11.740 1.112 -1.247) 11.858 5.819 ( 14.319 -5.455 0.616) 15.335 6.471 ( -1.652 -5.628 -0.079) 5.866 6.785 ( 5.755 -8.425 9.253) 13.774 6.858 ( 2.096 -5.179 -4.648) 7.268 6.954 ( -1.914 -1.642 1.735) 3.061 7.402 ( 3.085 2.617 1.154) 4.207 7.658 ( 3.368 -1.524 -1.082) 3.851 7.759 ( 2.772 -6.002 -0.732) 6.651 8.032 ( -4.399 -8.498 1.873) 9.751 8.143 ( -0.276 -6.621 0.468) 6.643 8.371 ( -5.951 -10.168 -7.434) 13.931 8.711 ( -3.936 5.340 -6.576) 9.341 8.887 ( -1.741 3.316 1.316) 3.969 9.425 ( -10.789 8.261 -8.566) 16.064 9.559 ( -4.844 6.228 2.382) 8.242 9.906 ( -6.616 5.172 2.838) 8.864 10.089 ( -2.185 6.128 8.876) 11.005 10.300 ( -4.540 3.057 -1.833) 5.772 10.396 ( -1.979 4.327 0.074) 4.759 10.562 ( -1.237 -0.210 2.040) 2.395 10.654 ( -2.784 0.192 0.372) 2.816 11.197 ( 3.645 -3.110 -3.191) 5.757 11.564 ( 8.704 -9.893 -1.358) 13.247 11.755 ( -3.431 3.036 -3.343) 5.671 11.952 ( 2.432 1.484 5.410) 6.114 12.692 ( -4.428 14.908 -4.285) 16.131 12.918 ( -0.155 6.472 2.913) 7.099 13.186 ( 1.930 -5.360 -0.190) 5.700 13.430 ( 3.547 -3.313 0.865) 4.930 15.197 ( -17.090 11.664 0.371) 20.694 15.614 ( -3.227 -2.032 2.875) 4.776 15.793 ( -1.969 -8.893 0.499) 9.122 15.975 ( 0.911 6.924 12.487) 14.307 16.382 ( -3.936 1.087 -5.122) 6.551 16.602 ( -6.185 -4.575 -7.315) 10.616 16.630 ( 1.489 -1.301 4.895) 5.279 17.153 ( 1.178 1.766 -3.442) 4.044 17.501 ( 8.163 11.179 9.504) 16.790 17.609 ( 0.475 6.457 -1.818) 6.725 18.049 ( -7.120 -6.092 -14.569) 17.322 19.632 ( 17.170 -17.859 5.374) 25.350 ======================= Grid point 130 (62/170) ======================= q-point: (-0.18 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -9.465 16.701 -1.615) 19.264 1.424 ( -11.898 21.252 -6.774) 25.281 2.171 ( -6.954 12.057 -1.315) 13.981 2.312 ( -13.697 8.789 -2.684) 16.494 2.432 ( 10.438 4.405 -7.467) 13.569 2.489 ( 0.843 -3.098 6.075) 6.871 2.757 ( 0.329 0.019 0.302) 0.447 2.908 ( 2.457 -0.543 -1.773) 3.078 3.219 ( 7.299 -2.751 1.736) 7.991 3.237 ( 7.922 -0.559 0.609) 7.965 3.317 ( 7.146 -7.841 4.080) 11.366 3.771 ( 1.394 -5.086 3.462) 6.308 3.803 ( 1.271 -3.914 -7.407) 8.473 4.083 ( 4.842 0.860 4.750) 6.837 4.166 ( 4.277 2.051 -0.383) 4.759 4.198 ( 1.629 -6.284 2.008) 6.795 4.621 ( -5.795 -1.312 -1.958) 6.256 4.717 ( -1.215 -6.237 3.323) 7.171 5.752 ( 14.524 -0.718 -1.604) 14.630 6.062 ( 14.217 -9.122 -0.747) 16.909 6.440 ( -0.183 -6.961 -1.889) 7.215 6.864 ( 5.344 -4.053 -3.864) 7.741 6.929 ( -1.771 -4.586 3.595) 6.091 7.020 ( 6.701 -8.260 6.379) 12.402 7.463 ( 3.794 3.853 -0.088) 5.408 7.664 ( 1.436 -4.344 -3.868) 5.991 7.818 ( 4.362 -4.693 -0.767) 6.453 7.971 ( -6.619 -7.018 3.597) 10.295 8.111 ( -5.883 -7.834 -0.178) 9.799 8.166 ( -8.619 -7.678 -4.443) 12.369 8.592 ( -4.586 5.387 0.091) 7.075 8.822 ( -8.422 2.231 -0.342) 8.719 9.216 ( -3.318 8.634 -4.066) 10.104 9.501 ( -3.311 6.161 -0.547) 7.016 9.820 ( -4.686 8.386 0.722) 9.634 10.106 ( -4.491 1.846 4.301) 6.487 10.188 ( -5.069 0.427 -3.827) 6.366 10.332 ( -1.865 1.176 -3.378) 4.034 10.597 ( -0.384 5.002 3.979) 6.403 10.628 ( -2.885 0.562 2.726) 4.008 11.260 ( 5.813 0.184 0.418) 5.831 11.631 ( 0.469 0.015 -2.868) 2.906 11.698 ( 2.250 -7.118 -1.571) 7.629 12.047 ( 1.045 -2.930 5.060) 5.940 12.597 ( -1.488 12.605 -3.924) 13.285 12.966 ( 1.538 7.171 3.235) 8.016 13.222 ( 2.082 -4.154 0.312) 4.657 13.487 ( 3.072 -3.572 0.011) 4.712 14.934 ( -16.019 11.596 2.042) 19.881 15.531 ( -5.860 -0.694 -2.461) 6.394 15.749 ( -4.589 -9.362 2.739) 10.779 16.086 ( -0.706 4.969 4.234) 6.566 16.302 ( -0.247 -3.671 -2.153) 4.263 16.496 ( -0.639 -0.415 0.201) 0.789 16.701 ( 3.921 -3.108 -1.914) 5.357 17.140 ( -0.189 1.677 -1.472) 2.239 17.520 ( -11.200 -2.475 4.788) 12.430 17.761 ( 3.601 -0.035 3.257) 4.856 17.833 ( 7.264 17.844 -9.719) 21.578 19.919 ( 12.660 -17.780 1.114) 21.855 ======================= Grid point 131 (63/170) ======================= q-point: (-0.09 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -11.262 18.604 4.091) 22.129 1.246 ( -3.703 25.568 -2.516) 25.957 2.068 ( -4.027 14.740 1.964) 15.406 2.122 ( -9.543 17.863 4.792) 20.811 2.417 ( 2.926 0.552 -13.097) 13.431 2.601 ( 3.867 -4.406 5.863) 8.291 2.788 ( 3.743 2.531 -2.494) 5.161 2.941 ( 1.777 -0.595 0.970) 2.110 3.262 ( 2.096 2.010 -3.910) 4.871 3.325 ( 3.717 -9.375 -0.906) 10.126 3.495 ( 5.507 -5.344 -1.175) 7.764 3.784 ( 1.485 -5.303 0.599) 5.539 3.865 ( 1.924 -5.606 8.535) 10.391 4.173 ( 2.601 1.574 -0.449) 3.073 4.227 ( 1.416 -0.898 -1.175) 2.047 4.262 ( 2.512 -1.857 6.145) 6.894 4.506 ( -5.800 2.775 -0.239) 6.434 4.711 ( -2.374 -7.708 1.697) 8.242 5.948 ( 11.088 -3.938 -3.117) 12.172 6.239 ( 8.397 -12.664 -2.601) 15.416 6.432 ( 0.941 -6.397 -0.650) 6.498 6.869 ( -1.625 -8.090 -2.823) 8.721 6.967 ( 7.612 1.069 -4.467) 8.890 7.180 ( 5.279 -6.903 2.408) 9.017 7.540 ( 4.733 0.388 1.455) 4.966 7.640 ( 2.004 -1.386 -4.964) 5.530 7.820 ( -6.737 -8.710 -2.430) 11.276 7.901 ( -1.470 -4.850 1.034) 5.173 7.936 ( -9.069 -5.461 1.421) 10.681 8.050 ( -6.286 -5.375 0.965) 8.326 8.590 ( -0.644 0.985 6.600) 6.704 8.679 ( -7.299 4.548 3.988) 9.479 9.210 ( 2.280 8.087 2.519) 8.771 9.425 ( -3.656 10.573 -1.524) 11.291 9.805 ( 0.884 3.273 0.097) 3.391 10.031 ( -6.700 -0.128 -1.785) 6.935 10.070 ( -1.984 -2.139 -4.723) 5.551 10.292 ( 1.396 1.058 -1.960) 2.629 10.598 ( -3.751 1.923 2.021) 4.675 10.620 ( -1.084 6.959 1.789) 7.267 11.390 ( 6.740 0.923 3.657) 7.724 11.565 ( -5.351 2.419 0.330) 5.882 11.755 ( 5.441 -8.573 -1.495) 10.264 12.080 ( -2.169 -6.101 2.099) 6.807 12.552 ( 0.855 10.034 -3.268) 10.588 13.002 ( 0.381 8.945 -1.676) 9.109 13.260 ( 0.289 -2.332 3.417) 4.147 13.548 ( 4.675 -4.858 -0.620) 6.771 14.721 ( -12.869 11.085 3.704) 17.384 15.426 ( -1.835 -0.587 -2.740) 3.349 15.717 ( -3.706 -7.948 4.140) 9.698 16.061 ( -0.626 0.215 -4.771) 4.817 16.301 ( 0.438 -5.629 0.968) 5.728 16.524 ( -1.700 0.511 4.300) 4.652 16.731 ( 7.002 -2.039 -8.863) 11.478 17.070 ( -5.534 -1.286 -4.295) 7.122 17.365 ( -6.342 2.864 -0.009) 6.959 17.728 ( 4.528 7.874 -8.288) 12.296 18.070 ( 4.545 11.293 18.063) 21.782 20.065 ( 6.485 -17.546 -3.900) 19.109 ======================= Grid point 132 (64/170) ======================= q-point: ( 0.00 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 3.226 17.033 5.603) 18.219 1.706 ( 2.144 18.684 -1.727) 18.886 2.072 ( 4.929 -2.932 3.864) 6.916 2.357 ( -1.309 5.286 -8.869) 10.407 2.441 ( -2.420 0.223 -0.726) 2.536 2.814 ( -2.332 7.828 0.758) 8.203 2.898 ( 1.966 6.763 -1.964) 7.312 3.046 ( 0.501 -1.969 0.010) 2.032 3.099 ( 0.686 2.096 -3.165) 3.857 3.205 ( -1.586 -4.564 -1.346) 5.016 3.283 ( -1.335 -8.172 -5.653) 10.026 3.654 ( 0.093 -9.182 2.034) 9.405 3.974 ( 0.934 -0.095 12.993) 13.027 4.089 ( 0.557 -5.957 8.109) 10.078 4.272 ( -1.716 4.305 -2.413) 5.225 4.408 ( -3.510 3.631 0.330) 5.061 4.512 ( 1.108 -0.768 2.799) 3.107 4.571 ( -0.484 -2.320 3.203) 3.984 5.899 ( 2.178 -4.962 -4.844) 7.269 6.000 ( 0.533 -10.496 -4.918) 11.603 6.371 ( -0.164 -1.231 1.783) 2.173 6.595 ( -1.189 -9.249 -4.039) 10.162 7.030 ( 2.729 -0.318 -6.633) 7.179 7.079 ( -3.884 -3.526 -4.896) 7.176 7.584 ( 3.806 -1.850 1.915) 4.645 7.640 ( -1.668 2.406 1.194) 3.161 7.683 ( -2.070 -4.004 -1.801) 4.854 7.738 ( 6.145 -0.665 0.141) 6.182 7.831 ( -3.145 -4.435 1.138) 5.555 7.868 ( 0.926 -5.993 1.951) 6.370 8.670 ( -1.099 0.551 9.850) 9.927 8.713 ( -0.253 -1.710 9.762) 9.914 9.449 ( -0.297 8.088 1.738) 8.278 9.582 ( 0.014 4.347 -1.346) 4.551 9.827 ( 1.473 1.886 -6.871) 7.276 9.867 ( -3.154 -2.430 -5.369) 6.684 10.056 ( 3.472 4.928 -0.080) 6.029 10.283 ( 1.653 -4.216 1.980) 4.943 10.637 ( -0.683 2.999 0.763) 3.169 10.690 ( -1.900 1.279 0.277) 2.307 11.541 ( -5.090 3.959 1.191) 6.558 11.582 ( 5.418 2.818 2.314) 6.530 11.694 ( 4.521 -5.164 1.505) 7.026 11.863 ( -4.773 -8.100 -0.960) 9.450 12.759 ( 1.033 10.719 -2.001) 10.953 13.046 ( -2.551 1.217 -6.463) 7.054 13.332 ( 0.821 2.093 6.701) 7.068 13.500 ( 0.014 -4.080 1.760) 4.443 14.888 ( -1.045 12.482 1.862) 12.664 15.326 ( 0.980 -7.155 -3.355) 7.963 15.652 ( -1.085 0.397 10.517) 10.580 15.940 ( -0.912 -3.945 -4.292) 5.900 16.222 ( 1.247 -1.775 -3.835) 4.406 16.427 ( 0.022 -5.857 -7.349) 9.398 16.686 ( -3.271 3.106 -8.935) 10.009 16.871 ( -0.589 -4.400 -4.524) 6.338 17.524 ( 2.573 8.612 7.974) 12.015 17.835 ( 2.655 -3.297 10.270) 11.108 18.622 ( -0.424 22.236 3.833) 22.568 19.628 ( -0.603 -22.100 -7.142) 23.234 ======================= Grid point 133 (65/170) ======================= q-point: ( 0.09 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 7.417 17.072 4.233) 19.089 1.792 ( 8.362 13.740 2.584) 16.291 2.179 ( -1.244 6.984 -9.087) 11.528 2.243 ( 7.336 3.702 -0.924) 8.269 2.412 ( -3.676 -7.162 0.207) 8.053 2.723 ( -5.157 0.682 -1.658) 5.460 2.870 ( -7.451 2.668 -3.839) 8.796 2.910 ( -2.143 -10.929 -9.177) 14.431 3.079 ( -3.036 -0.908 1.446) 3.483 3.226 ( 1.351 -2.435 6.844) 7.389 3.269 ( -0.274 4.393 2.435) 5.030 3.615 ( -3.564 -5.779 -3.258) 7.531 4.083 ( -0.812 0.692 7.125) 7.205 4.175 ( -6.826 2.135 0.952) 7.216 4.260 ( 4.034 -0.478 11.122) 11.841 4.330 ( -4.552 3.094 -0.630) 5.540 4.543 ( -2.316 -3.277 4.639) 6.133 4.607 ( 0.357 -0.449 1.544) 1.647 5.819 ( -4.830 -4.763 -5.138) 8.510 5.901 ( -4.310 -9.346 -6.454) 12.148 6.385 ( 0.233 -1.255 1.119) 1.697 6.576 ( 3.928 -8.142 -2.850) 9.478 6.871 ( -10.922 -0.388 -5.953) 12.445 6.961 ( -4.138 -4.451 -2.110) 6.434 7.518 ( -5.706 0.434 -2.063) 6.083 7.623 ( -0.043 -6.791 0.420) 6.804 7.758 ( -1.472 0.188 0.562) 1.586 7.818 ( 3.192 -0.828 1.504) 3.624 7.892 ( 11.917 -1.591 -1.263) 12.089 7.991 ( 10.879 -5.202 2.621) 12.340 8.803 ( 2.472 0.412 10.986) 11.268 8.873 ( 2.201 -2.628 12.873) 13.322 9.481 ( 1.776 5.027 2.473) 5.877 9.547 ( 0.144 3.193 -2.808) 4.254 9.731 ( -0.484 0.262 -8.821) 8.838 9.807 ( 4.017 -0.124 -8.962) 9.822 10.174 ( 6.574 5.574 2.207) 8.896 10.332 ( 1.920 -1.973 0.086) 2.754 10.637 ( -0.781 3.168 0.829) 3.366 10.675 ( 0.581 1.128 1.155) 1.716 11.431 ( -7.466 3.814 0.781) 8.420 11.688 ( -4.892 -4.753 1.568) 6.999 11.734 ( 1.911 -2.280 1.458) 3.313 11.833 ( 5.098 -3.141 0.811) 6.042 12.779 ( 3.803 9.245 -1.266) 10.077 12.947 ( -0.462 3.451 -5.478) 6.491 13.379 ( -3.657 1.678 5.468) 6.789 13.486 ( -3.719 -3.068 1.552) 5.065 14.974 ( 7.622 11.061 2.064) 13.590 15.334 ( 4.001 -6.909 -3.287) 8.633 15.781 ( 0.844 -0.704 11.308) 11.361 15.868 ( 0.411 3.220 -7.056) 7.767 16.207 ( 1.228 -7.362 -5.031) 9.001 16.354 ( 3.027 -8.168 -6.060) 10.611 16.544 ( -1.587 6.207 -5.187) 8.243 16.865 ( 5.136 -7.584 -4.841) 10.360 17.658 ( 0.998 12.080 9.118) 15.168 17.939 ( -0.926 5.757 3.871) 6.999 18.642 ( -5.618 10.556 9.754) 15.431 19.461 ( -7.198 -20.745 -10.732) 24.441 ======================= Grid point 134 (66/170) ======================= q-point: ( 0.18 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 4.222 14.199 1.775) 14.919 1.966 ( 5.333 11.241 -0.159) 12.443 2.062 ( 5.419 6.294 -11.169) 13.919 2.272 ( -10.019 -3.531 -4.767) 11.643 2.330 ( 3.390 2.740 -2.688) 5.121 2.630 ( -8.610 -0.682 -1.960) 8.857 2.689 ( -6.370 -5.610 6.507) 10.695 2.780 ( -0.229 -11.466 -9.192) 14.698 3.111 ( -0.278 2.480 4.234) 4.915 3.257 ( -2.711 -0.812 3.128) 4.218 3.360 ( 1.426 0.371 9.189) 9.307 3.479 ( -5.646 -2.575 -6.742) 9.163 4.014 ( -7.462 2.894 -0.540) 8.022 4.178 ( -3.159 -2.418 5.307) 6.633 4.250 ( -2.382 5.419 1.475) 6.100 4.450 ( 4.503 0.890 7.900) 9.137 4.557 ( -2.051 -2.058 5.040) 5.818 4.605 ( -1.790 -4.071 0.442) 4.469 5.652 ( -8.198 -3.703 -3.709) 9.731 5.733 ( -7.003 -8.185 -5.689) 12.182 6.411 ( 0.898 0.436 0.406) 1.077 6.602 ( -3.172 -1.133 -2.038) 3.937 6.694 ( 2.777 -4.836 -3.243) 6.451 6.861 ( -6.502 -9.794 0.589) 11.770 7.433 ( -2.677 2.318 -0.955) 3.668 7.609 ( -2.074 -7.219 0.264) 7.516 7.723 ( -0.945 -0.056 -1.961) 2.177 7.827 ( -1.699 -2.525 0.499) 3.084 8.132 ( 13.751 0.627 2.735) 14.034 8.211 ( 11.633 -3.288 1.128) 12.142 8.960 ( 2.394 0.570 8.491) 8.841 9.026 ( 0.051 -1.500 9.632) 9.748 9.496 ( 1.718 1.111 -4.188) 4.661 9.591 ( 4.362 -0.197 -0.931) 4.465 9.666 ( 3.820 3.710 -4.844) 7.199 9.800 ( 6.141 1.710 -6.020) 8.768 10.252 ( 3.065 3.756 -1.987) 5.239 10.331 ( 0.351 1.233 -4.144) 4.338 10.676 ( 2.922 3.099 3.784) 5.697 10.729 ( 2.441 0.318 3.089) 3.949 11.325 ( -6.495 0.848 1.171) 6.654 11.527 ( -10.849 -7.750 -1.496) 13.417 11.789 ( 3.403 3.518 -1.857) 5.235 11.960 ( 4.060 -2.458 4.949) 6.857 12.863 ( 6.646 7.978 0.735) 10.409 12.922 ( 3.273 5.879 -3.270) 7.482 13.344 ( -6.456 0.939 4.336) 7.833 13.418 ( -5.508 -3.071 0.195) 6.309 15.141 ( 9.092 7.322 0.948) 11.712 15.371 ( 4.900 -5.636 -3.649) 8.312 15.770 ( -1.847 4.793 -5.148) 7.272 15.949 ( 3.280 5.226 10.000) 11.750 16.126 ( 0.476 -6.857 -8.818) 11.180 16.434 ( 8.326 -5.275 -1.766) 10.013 16.577 ( 8.004 -0.323 4.495) 9.186 16.919 ( 8.048 -9.855 -5.405) 13.824 17.736 ( -2.149 15.061 4.995) 16.013 17.882 ( -5.410 14.557 -2.871) 15.793 18.663 ( -8.960 -2.838 15.172) 17.847 19.161 ( -12.476 -18.880 -13.062) 26.130 ======================= Grid point 135 (67/170) ======================= q-point: ( 0.27 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -1.349 8.472 -1.609) 8.729 1.924 ( -2.496 4.820 -5.220) 7.531 2.028 ( -7.921 2.212 -6.901) 10.736 2.092 ( 5.822 5.202 -7.128) 10.572 2.388 ( 2.105 2.892 4.867) 6.040 2.488 ( -5.798 -0.287 0.102) 5.806 2.663 ( -2.704 -6.873 0.278) 7.391 2.747 ( -0.136 -8.604 1.207) 8.689 3.090 ( -4.617 4.591 -0.242) 6.516 3.257 ( -1.863 2.944 2.781) 4.458 3.296 ( -6.134 -2.550 -6.573) 9.345 3.453 ( -2.451 -4.453 6.283) 8.082 3.928 ( -1.664 2.213 0.881) 2.905 4.123 ( -3.277 1.650 -0.198) 3.674 4.286 ( -1.449 -6.059 5.559) 8.350 4.540 ( 0.077 -6.822 -3.357) 7.604 4.584 ( -0.803 0.563 4.593) 4.697 4.608 ( 1.701 2.003 3.727) 4.560 5.495 ( -6.810 -2.417 -1.194) 7.324 5.563 ( -6.942 -6.250 -3.214) 9.879 6.359 ( -4.413 2.063 -2.424) 5.442 6.582 ( 1.739 0.805 2.490) 3.142 6.778 ( -1.956 -13.931 0.021) 14.067 6.790 ( 5.643 -3.864 0.744) 6.880 7.389 ( -2.777 3.237 0.397) 4.284 7.565 ( -2.734 -4.364 -0.797) 5.211 7.687 ( -0.250 -0.753 -2.677) 2.792 7.793 ( -2.480 -2.740 -0.021) 3.696 8.357 ( 8.039 -0.619 -0.677) 8.091 8.391 ( 8.723 -1.241 3.888) 9.631 9.067 ( 1.847 2.475 3.589) 4.735 9.098 ( 1.428 0.895 4.847) 5.132 9.474 ( 0.020 0.289 -2.174) 2.193 9.590 ( 2.042 -4.966 -6.979) 8.806 9.725 ( 4.392 6.803 -1.709) 8.276 9.886 ( 7.568 0.550 -0.129) 7.589 10.279 ( 2.189 4.159 -2.139) 5.164 10.299 ( 4.260 3.272 -2.633) 5.983 10.766 ( 2.953 1.608 2.138) 3.985 10.825 ( 3.354 -0.523 4.693) 5.793 11.234 ( -5.886 -2.367 -0.044) 6.344 11.326 ( -9.977 -6.232 -2.354) 11.997 11.818 ( 2.332 6.224 -1.039) 6.727 12.047 ( 1.100 -2.753 2.757) 4.049 12.947 ( 3.712 8.070 -2.602) 9.256 13.008 ( 7.196 7.262 1.616) 10.350 13.266 ( -6.292 0.874 -0.207) 6.356 13.341 ( -4.196 -5.650 3.354) 7.796 15.260 ( 5.183 2.841 -1.688) 6.147 15.427 ( 4.916 -5.122 -0.142) 7.101 15.689 ( -2.223 8.321 -2.398) 8.940 16.056 ( -0.232 -6.759 -4.232) 7.978 16.149 ( 7.579 11.253 10.045) 16.881 16.553 ( 10.775 4.145 -4.138) 12.264 16.876 ( 14.986 -11.474 10.419) 21.559 17.005 ( 9.498 -10.178 -5.623) 15.014 17.623 ( -7.492 18.480 -9.288) 21.998 17.796 ( -5.382 14.048 3.700) 15.492 18.665 ( -11.471 -10.669 13.854) 20.912 18.773 ( -15.707 -16.345 -12.668) 25.968 ======================= Grid point 136 (68/170) ======================= q-point: ( 0.36 0.38 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -5.358 7.505 0.446) 9.232 1.838 ( -5.566 1.213 -2.983) 6.430 1.880 ( -0.011 5.042 -3.626) 6.211 2.110 ( 6.550 -0.388 -5.336) 8.457 2.394 ( -3.550 -0.452 -0.713) 3.649 2.496 ( 0.101 3.915 6.357) 7.466 2.631 ( -3.430 -5.424 2.318) 6.823 2.752 ( -1.248 -5.063 1.990) 5.581 3.010 ( -2.522 4.029 -0.083) 4.754 3.129 ( -5.178 0.089 -5.781) 7.761 3.259 ( -1.558 4.181 2.140) 4.949 3.425 ( -4.504 -4.640 1.312) 6.598 3.978 ( 3.552 -0.928 2.960) 4.716 4.079 ( -0.794 0.494 -2.394) 2.570 4.316 ( -1.476 -11.270 4.733) 12.313 4.449 ( -4.354 -11.453 -4.421) 13.026 4.619 ( 1.668 2.971 -2.638) 4.309 4.656 ( 1.597 2.346 -0.535) 2.888 5.403 ( -3.994 -1.237 0.350) 4.196 5.440 ( -5.060 -3.168 -0.500) 5.991 6.283 ( -2.177 1.773 -0.679) 2.889 6.619 ( -1.061 -7.086 1.518) 7.324 6.797 ( 3.200 -5.014 2.627) 6.503 6.895 ( 4.072 -2.687 1.283) 5.044 7.352 ( -2.430 2.352 1.611) 3.746 7.505 ( -2.632 -2.266 -1.421) 3.753 7.658 ( 0.515 -0.653 -2.711) 2.836 7.751 ( -2.303 -2.510 -0.153) 3.410 8.392 ( 3.117 1.019 -7.236) 7.945 8.534 ( 2.788 -4.604 2.192) 5.812 9.115 ( 2.285 5.997 0.140) 6.419 9.231 ( 5.559 5.716 7.026) 10.628 9.459 ( -1.937 -0.101 0.515) 2.007 9.493 ( 0.015 -3.314 -9.095) 9.680 9.773 ( 1.771 2.811 2.146) 3.955 10.006 ( 6.677 -1.909 -0.608) 6.971 10.324 ( 3.123 6.155 2.986) 7.520 10.394 ( 6.450 1.583 0.856) 6.696 10.823 ( 1.715 1.406 0.907) 2.396 10.917 ( 2.729 -1.013 2.052) 3.562 11.093 ( -7.587 -1.424 -3.865) 8.633 11.184 ( -5.539 -7.537 -0.671) 9.378 11.845 ( 1.594 6.792 -0.161) 6.978 12.068 ( -0.603 -2.062 0.898) 2.329 12.959 ( 1.406 8.897 -2.641) 9.387 13.109 ( 2.530 5.969 -0.177) 6.485 13.166 ( -2.155 -0.966 -1.892) 3.026 13.354 ( -0.967 -5.524 4.529) 7.209 15.305 ( 3.314 2.870 -0.786) 4.454 15.497 ( -0.247 -3.776 3.132) 4.912 15.673 ( 1.854 6.401 1.822) 6.909 16.015 ( -1.573 -7.289 -0.370) 7.466 16.401 ( 8.410 16.244 8.162) 20.030 16.704 ( 12.959 8.924 -3.585) 16.138 17.091 ( 7.355 -9.288 -4.357) 12.623 17.199 ( 5.575 -0.025 2.578) 6.142 17.426 ( 2.904 3.210 -5.878) 7.300 17.739 ( -4.917 10.668 2.359) 11.981 18.350 ( -15.488 -13.603 -12.877) 24.305 18.615 ( -13.162 -13.869 11.443) 22.284 ======================= Grid point 137 (69/170) ======================= q-point: ( 0.45 0.38 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -4.613 5.229 -2.980) 7.583 1.736 ( -1.440 -0.128 -3.785) 4.052 1.946 ( 5.238 6.814 7.159) 11.186 2.217 ( 7.645 -4.027 0.770) 8.675 2.343 ( -0.279 1.819 -1.012) 2.100 2.503 ( -5.096 0.651 2.695) 5.802 2.622 ( -4.189 -2.727 6.464) 8.171 2.753 ( 0.254 -2.162 1.528) 2.660 2.981 ( -2.828 2.031 -3.104) 4.665 3.069 ( 3.715 2.262 2.485) 5.009 3.254 ( -1.376 5.003 1.802) 5.493 3.368 ( -3.001 -3.429 -0.183) 4.560 4.027 ( -1.115 -2.033 -2.834) 3.662 4.068 ( 2.751 -2.381 0.689) 3.703 4.302 ( -5.483 -10.934 -4.247) 12.948 4.364 ( 1.870 -12.466 1.199) 12.662 4.568 ( 0.508 2.765 -9.057) 9.484 4.635 ( -0.092 0.337 -5.899) 5.909 5.366 ( -0.839 -0.767 0.648) 1.309 5.389 ( -2.199 -0.733 1.559) 2.794 6.270 ( 0.068 0.954 1.309) 1.621 6.599 ( -1.475 -10.837 -0.446) 10.946 6.876 ( 0.071 -1.139 2.306) 2.573 6.941 ( 1.060 0.582 1.380) 1.835 7.355 ( -1.529 -0.159 3.679) 3.987 7.470 ( 0.289 -0.378 0.302) 0.564 7.648 ( 1.845 -1.301 -2.266) 3.199 7.718 ( -1.287 -2.417 -0.214) 2.746 8.331 ( 2.282 1.931 -10.676) 11.086 8.538 ( -0.483 -7.166 -3.759) 8.106 9.119 ( -0.776 7.262 -1.797) 7.521 9.273 ( -4.012 4.024 -8.745) 10.429 9.459 ( 5.828 5.771 8.068) 11.505 9.557 ( 3.742 -2.890 6.892) 8.358 9.835 ( -0.046 0.788 6.267) 6.317 10.088 ( 3.616 -2.413 -0.043) 4.348 10.412 ( -0.121 5.990 6.242) 8.652 10.488 ( 2.232 0.476 1.296) 2.624 10.824 ( -1.022 1.891 -2.399) 3.221 10.916 ( -2.015 -0.711 -6.002) 6.371 10.999 ( 1.173 -0.623 1.217) 1.802 11.107 ( -2.062 -8.639 -1.123) 8.953 11.866 ( 0.825 6.597 0.446) 6.664 12.058 ( -1.055 -0.782 -0.033) 1.314 12.947 ( 1.172 6.219 -2.519) 6.812 13.111 ( 0.195 1.462 1.804) 2.330 13.158 ( 1.800 2.061 -3.808) 4.689 13.362 ( -3.059 -3.161 1.545) 4.662 15.374 ( 3.195 3.542 3.373) 5.842 15.503 ( -2.650 -0.052 4.316) 5.065 15.758 ( 1.054 1.191 5.818) 6.031 16.007 ( -0.083 -7.185 2.541) 7.622 16.507 ( -2.254 17.459 -1.291) 17.652 16.912 ( 9.332 15.124 2.365) 17.928 17.085 ( 0.871 10.745 -4.942) 11.859 17.161 ( 4.389 -7.422 -5.992) 10.500 17.464 ( -1.202 -0.951 -10.125) 10.241 17.813 ( 1.070 1.083 9.570) 9.691 18.048 ( 0.921 -17.094 -6.800) 18.420 18.498 ( -12.331 -15.140 6.124) 20.464 ======================= Grid point 138 (70/170) ======================= q-point: (-0.45 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 2.559 4.548 -3.619) 6.350 1.748 ( 8.207 -0.656 -2.768) 8.686 2.124 ( 1.865 3.348 9.470) 10.216 2.308 ( 1.098 -5.651 5.067) 7.668 2.402 ( 3.787 4.219 1.574) 5.884 2.437 ( -3.595 6.041 0.398) 7.041 2.630 ( -2.440 -2.765 5.547) 6.661 2.796 ( 2.040 -6.713 2.649) 7.500 2.962 ( 2.663 8.299 0.997) 8.773 3.134 ( 1.696 -0.678 -3.423) 3.880 3.289 ( 0.581 1.110 4.108) 4.295 3.322 ( -1.680 -0.751 2.299) 2.945 3.970 ( -2.160 -1.885 -1.565) 3.266 4.076 ( -1.065 -3.097 -2.505) 4.123 4.156 ( -2.128 -4.124 -8.705) 9.865 4.421 ( 2.206 -7.308 -2.785) 8.126 4.474 ( 2.341 -3.481 -6.915) 8.088 4.529 ( -0.868 -3.512 -9.340) 10.017 5.385 ( 0.617 -0.087 1.322) 1.461 5.406 ( 3.408 -1.165 1.655) 3.963 6.314 ( 1.875 -0.136 3.727) 4.174 6.570 ( -0.599 -9.386 -1.567) 9.535 6.834 ( -5.374 0.473 1.216) 5.530 6.972 ( -0.601 -1.461 1.026) 1.884 7.366 ( -1.493 1.643 3.686) 4.303 7.523 ( 2.534 -1.096 2.589) 3.785 7.660 ( 2.106 -1.133 -2.593) 3.527 7.721 ( 1.429 -4.833 2.017) 5.429 8.240 ( 2.444 1.631 -12.160) 12.510 8.456 ( -1.130 -8.083 -7.942) 11.388 9.061 ( -2.533 5.308 -3.594) 6.892 9.116 ( -3.719 3.955 -6.147) 8.201 9.616 ( 0.501 4.415 9.226) 10.240 9.727 ( 4.009 0.076 8.369) 9.280 9.909 ( -1.231 2.339 8.608) 9.004 10.118 ( -1.673 -1.433 1.982) 2.963 10.425 ( -3.920 4.401 3.336) 6.772 10.501 ( -2.601 2.616 2.964) 4.732 10.763 ( -1.516 2.029 -5.667) 6.207 10.797 ( -2.634 -1.326 -5.758) 6.469 11.081 ( 3.659 -3.596 -0.291) 5.138 11.093 ( 4.446 -5.918 -0.510) 7.420 11.887 ( 0.219 6.124 1.877) 6.409 12.030 ( -1.513 0.771 -1.454) 2.236 12.958 ( 2.976 3.450 -1.412) 4.770 13.108 ( 0.163 -1.402 -6.352) 6.507 13.178 ( 1.995 3.734 3.994) 5.821 13.285 ( -5.920 0.169 -0.773) 5.973 15.470 ( 0.934 1.149 6.742) 6.903 15.527 ( -1.369 -1.037 5.728) 5.980 15.810 ( -2.622 3.636 6.688) 8.051 16.073 ( 1.108 -4.037 4.530) 6.168 16.351 ( -8.985 14.564 -3.422) 17.451 16.890 ( -5.310 7.963 -3.207) 10.094 17.084 ( -6.688 -8.895 -11.025) 15.665 17.160 ( -0.045 -1.321 -2.863) 3.153 17.404 ( 12.943 16.467 -0.688) 20.956 17.752 ( -2.353 9.225 -2.920) 9.958 18.238 ( 0.738 -17.606 1.488) 17.684 18.438 ( 9.068 -19.674 5.689) 22.398 ======================= Grid point 139 (71/170) ======================= q-point: (-0.36 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 8.153 6.932 -4.106) 11.462 1.938 ( 15.616 -1.724 -0.551) 15.721 2.210 ( 0.571 2.844 6.347) 6.978 2.286 ( -9.489 8.925 -2.492) 13.263 2.439 ( 4.536 -4.619 8.235) 10.475 2.515 ( 2.094 5.672 4.522) 7.550 2.621 ( -4.722 -5.165 1.372) 7.131 2.899 ( 3.887 -7.475 4.759) 9.677 3.030 ( 2.351 3.296 -0.200) 4.054 3.073 ( -0.680 -0.953 -6.461) 6.566 3.257 ( -1.453 4.247 -1.084) 4.618 3.442 ( 2.623 -1.012 9.501) 9.908 3.936 ( -0.465 -1.218 -0.035) 1.304 3.985 ( -0.866 -1.371 -7.990) 8.153 4.091 ( 3.727 3.812 -4.391) 6.907 4.296 ( -1.625 1.025 -14.424) 14.551 4.441 ( 0.699 -7.366 -2.633) 7.854 4.547 ( 4.840 -12.860 -0.152) 13.741 5.436 ( 4.620 0.931 0.729) 4.769 5.522 ( 7.675 -3.596 1.964) 8.700 6.405 ( 2.482 -0.927 4.192) 4.959 6.547 ( 0.613 -5.710 -1.521) 5.941 6.770 ( -3.496 -1.646 1.637) 4.197 6.936 ( -4.437 -4.156 0.966) 6.156 7.403 ( 0.960 3.711 3.804) 5.400 7.570 ( -0.132 -3.466 1.532) 3.792 7.674 ( 3.854 0.710 -2.570) 4.686 7.797 ( 1.658 -7.533 5.227) 9.317 8.144 ( 1.919 0.470 -11.219) 11.392 8.331 ( -1.615 -8.177 -9.942) 12.973 8.959 ( -4.130 4.867 -4.201) 7.642 9.011 ( -3.718 2.757 -2.341) 5.187 9.681 ( -3.099 4.380 5.660) 7.799 9.773 ( -5.981 0.560 0.270) 6.013 9.971 ( -4.468 3.912 8.764) 10.587 10.118 ( -2.615 1.319 8.648) 9.130 10.433 ( 0.454 3.084 2.079) 3.747 10.475 ( -4.519 2.081 5.432) 7.366 10.629 ( -2.571 1.440 -9.648) 10.088 10.713 ( -2.913 -0.973 -3.424) 4.600 11.105 ( 4.625 -1.930 -2.890) 5.785 11.230 ( 8.340 -6.586 0.926) 10.667 11.908 ( -1.498 4.590 2.377) 5.381 11.975 ( -1.877 2.109 -2.222) 3.593 12.994 ( 0.468 1.245 -1.694) 2.153 13.043 ( 3.467 0.280 -5.630) 6.618 13.134 ( -7.906 5.511 -0.019) 9.637 13.292 ( 3.358 -0.845 3.241) 4.743 15.544 ( -0.872 -1.274 5.257) 5.479 15.557 ( -6.025 -1.616 9.839) 11.650 15.813 ( -4.358 9.909 -1.404) 10.915 16.038 ( -5.220 7.528 3.642) 9.858 16.317 ( -0.138 -3.363 8.228) 8.890 16.712 ( -9.061 -3.695 -8.470) 12.943 16.790 ( -10.133 1.128 -6.330) 12.000 17.113 ( -1.192 -6.564 -3.138) 7.373 17.583 ( 4.157 12.020 -3.511) 13.195 17.809 ( 10.366 18.952 4.334) 22.032 18.101 ( -4.294 -11.007 -9.398) 15.097 18.815 ( 19.586 -22.776 7.568) 30.977 ======================= Grid point 140 (72/170) ======================= q-point: (-0.27 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 4.172 12.773 -3.403) 13.861 2.063 ( -11.436 12.791 -5.470) 18.009 2.184 ( 13.753 -1.451 -2.175) 14.000 2.338 ( 6.018 2.153 5.080) 8.164 2.474 ( -7.307 -3.076 -4.851) 9.295 2.572 ( -2.352 3.556 6.684) 7.928 2.661 ( 8.509 -5.605 7.217) 12.486 2.954 ( 2.130 -4.370 -1.507) 5.090 3.031 ( -0.927 -0.820 1.624) 2.042 3.049 ( 3.268 -5.064 -2.454) 6.507 3.236 ( -1.392 10.473 2.448) 10.845 3.578 ( 2.227 -3.948 5.616) 7.217 3.886 ( 0.746 0.785 -9.959) 10.017 3.985 ( 4.169 0.392 2.580) 4.918 4.114 ( -1.135 0.069 -10.903) 10.962 4.166 ( 6.299 4.608 0.644) 7.831 4.446 ( 1.204 -10.311 -0.214) 10.383 4.611 ( 2.371 -9.373 0.578) 9.685 5.560 ( 9.581 0.859 0.026) 9.619 5.693 ( 10.365 -5.910 1.189) 11.991 6.416 ( -1.805 0.614 -1.821) 2.636 6.617 ( 5.340 -7.399 3.068) 9.627 6.766 ( 1.334 -2.582 1.368) 3.213 6.874 ( -4.445 -5.282 2.611) 7.381 7.474 ( 2.525 3.381 3.153) 5.267 7.570 ( -0.756 -3.875 0.722) 4.013 7.719 ( 4.088 0.190 -2.221) 4.656 7.866 ( -1.729 -6.408 6.532) 9.312 8.056 ( 0.581 -1.966 -8.147) 8.401 8.181 ( -3.137 -7.447 -9.893) 12.774 8.833 ( -6.389 5.271 -2.536) 8.663 8.931 ( -5.257 0.681 0.922) 5.380 9.583 ( -9.030 6.270 -5.743) 12.404 9.650 ( -5.518 2.544 1.180) 6.190 9.973 ( -5.603 3.191 7.280) 9.725 10.173 ( -5.204 -0.849 8.463) 9.972 10.388 ( -5.455 5.227 -0.556) 7.575 10.462 ( -5.457 2.680 -3.990) 7.271 10.564 ( 3.397 0.163 3.794) 5.095 10.635 ( -0.736 -2.045 -3.302) 3.953 11.176 ( 6.776 1.251 -1.556) 7.064 11.373 ( 8.637 -7.754 -0.886) 11.641 11.843 ( -4.699 4.594 -2.591) 7.064 11.963 ( -1.331 -0.487 2.881) 3.211 12.929 ( -2.585 5.453 -3.601) 7.028 13.037 ( -3.022 2.073 1.651) 4.019 13.102 ( 5.472 2.590 -1.670) 6.280 13.370 ( 2.193 -3.076 1.873) 4.217 15.472 ( -16.215 11.768 5.689) 20.827 15.570 ( -3.384 -1.776 5.153) 6.415 15.667 ( -3.402 -0.706 -5.278) 6.319 16.069 ( -3.111 -1.060 6.027) 6.865 16.365 ( -3.122 -1.606 3.985) 5.311 16.507 ( -4.350 -3.352 -4.100) 6.853 16.657 ( -2.176 4.793 1.227) 5.405 17.067 ( -2.223 -9.400 1.124) 9.725 17.547 ( 0.020 4.648 -5.866) 7.484 17.848 ( -6.641 -5.190 -7.079) 11.007 18.138 ( 16.590 23.821 -1.411) 29.063 19.197 ( 17.288 -23.118 5.089) 29.312 ======================= Grid point 141 (73/170) ======================= q-point: (-0.18 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -6.471 16.385 -3.161) 17.897 1.834 ( -6.611 16.936 -4.422) 18.711 2.187 ( -6.206 -4.300 -9.556) 12.178 2.368 ( 3.048 -7.294 1.247) 8.003 2.550 ( 10.149 8.400 0.643) 13.191 2.582 ( -2.126 9.115 4.810) 10.523 2.822 ( 4.204 -0.917 1.481) 4.551 2.990 ( -0.778 8.115 -3.809) 8.999 3.082 ( 6.163 -5.584 0.158) 8.318 3.130 ( 7.837 -9.287 8.115) 14.612 3.276 ( 1.291 3.291 2.351) 4.246 3.622 ( 0.172 -6.903 -1.161) 7.002 3.782 ( -0.606 0.505 -5.976) 6.027 4.004 ( -0.345 -9.091 -0.843) 9.136 4.159 ( 6.717 5.692 5.400) 10.328 4.269 ( 5.338 6.019 -1.160) 8.128 4.469 ( 0.710 -8.244 1.562) 8.420 4.629 ( -1.094 -6.356 0.394) 6.462 5.731 ( 11.133 -0.778 -1.654) 11.282 5.871 ( 10.001 -8.188 -0.745) 12.947 6.367 ( -1.092 0.685 -1.365) 1.877 6.691 ( -0.253 -10.810 1.233) 10.883 6.858 ( 7.153 -2.304 0.642) 7.542 6.894 ( 4.430 -3.817 3.167) 6.650 7.550 ( 3.463 1.693 1.426) 4.110 7.562 ( -0.964 -1.681 -0.200) 1.948 7.743 ( 2.332 -1.976 -3.132) 4.376 7.877 ( -5.633 -3.089 6.112) 8.867 7.961 ( -3.457 -5.432 -7.610) 9.969 8.026 ( -4.544 -5.569 -3.291) 7.905 8.703 ( -8.271 4.845 1.773) 9.748 8.833 ( -9.247 -0.980 2.424) 9.609 9.415 ( -2.953 9.334 -3.685) 10.461 9.584 ( -1.530 1.780 -0.851) 2.496 9.945 ( -4.704 3.778 2.805) 6.653 10.114 ( -7.457 -2.229 1.115) 7.862 10.238 ( -7.246 4.289 -4.589) 9.589 10.348 ( -4.929 0.531 -1.488) 5.176 10.625 ( 0.529 0.065 1.167) 1.283 10.661 ( 1.587 0.435 3.951) 4.280 11.289 ( 7.786 2.662 -0.126) 8.229 11.493 ( 8.088 -7.310 -2.345) 11.151 11.737 ( -5.077 5.044 -1.310) 7.275 11.964 ( -2.769 -4.807 3.003) 6.308 12.845 ( -2.971 10.056 -2.374) 10.751 13.079 ( 2.838 0.308 5.052) 5.803 13.161 ( 3.854 2.135 -2.686) 5.160 13.410 ( 1.522 -4.307 0.599) 4.607 15.214 ( -16.562 13.449 0.562) 21.342 15.535 ( -5.344 -1.254 -5.383) 7.688 15.575 ( -5.502 -2.839 7.803) 9.961 16.033 ( -3.276 -10.997 0.629) 11.492 16.333 ( -2.856 6.168 -2.520) 7.249 16.473 ( 0.103 -1.367 3.213) 3.493 16.698 ( 3.759 3.301 0.615) 5.041 17.067 ( -4.056 -8.797 6.072) 11.433 17.478 ( -2.371 1.511 -2.478) 3.747 17.667 ( -0.476 -5.223 -10.253) 11.516 18.384 ( 11.831 28.073 1.409) 30.496 19.486 ( 12.618 -23.207 1.407) 26.453 ======================= Grid point 142 (74/170) ======================= q-point: (-0.09 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -6.566 17.066 -0.021) 18.286 1.738 ( -2.155 20.870 -2.693) 21.153 2.032 ( -2.141 -5.182 -2.351) 6.080 2.392 ( 0.290 -7.954 -0.514) 7.976 2.547 ( -0.673 10.031 -7.154) 12.339 2.735 ( 3.079 17.185 9.228) 19.748 2.887 ( 3.686 3.836 -1.587) 5.551 2.974 ( 2.706 6.675 -0.417) 7.215 3.129 ( 2.735 -7.674 -3.124) 8.725 3.261 ( -0.607 -1.378 -3.632) 3.931 3.339 ( 4.659 -9.019 -1.935) 10.334 3.597 ( 1.395 -11.108 0.454) 11.205 3.812 ( 1.229 0.035 9.435) 9.514 4.025 ( -0.805 -9.271 5.269) 10.694 4.298 ( 2.440 5.360 -2.762) 6.504 4.338 ( 5.871 5.485 4.456) 9.188 4.499 ( -0.207 -2.467 1.898) 3.120 4.587 ( -3.819 -5.240 0.531) 6.506 5.862 ( 7.821 -3.358 -3.750) 9.301 5.988 ( 6.047 -10.219 -2.847) 12.210 6.356 ( -0.039 -0.085 0.694) 0.700 6.664 ( -2.712 -10.913 -0.944) 11.285 6.984 ( 9.729 0.213 -4.209) 10.603 7.049 ( 8.418 -4.645 0.672) 9.638 7.534 ( -0.124 -0.857 -1.064) 1.372 7.623 ( 4.660 -0.071 -1.188) 4.809 7.713 ( -3.081 -2.196 -2.577) 4.578 7.813 ( -7.479 -2.154 2.978) 8.333 7.832 ( -3.436 -4.545 0.376) 5.710 7.933 ( -5.973 -5.482 0.058) 8.108 8.625 ( -5.167 2.258 5.910) 8.168 8.711 ( -8.372 -0.700 4.622) 9.589 9.409 ( 2.624 9.719 0.936) 10.110 9.580 ( 0.990 3.782 -0.722) 3.975 9.883 ( -2.399 3.461 -2.448) 4.871 9.990 ( -5.749 -2.881 -2.596) 6.935 10.090 ( -4.211 3.307 -3.637) 6.473 10.273 ( -2.183 -2.960 -0.194) 3.683 10.640 ( -0.771 2.159 1.443) 2.709 10.702 ( -0.759 0.903 2.104) 2.412 11.426 ( 7.786 2.503 1.267) 8.276 11.595 ( 6.932 -6.222 -1.348) 9.412 11.645 ( -5.547 5.201 0.321) 7.610 11.934 ( -4.072 -7.482 1.656) 8.678 12.785 ( -1.283 11.421 -2.054) 11.675 13.142 ( -0.499 -1.471 -4.638) 4.891 13.215 ( 3.678 3.567 6.614) 8.366 13.454 ( 2.757 -4.451 1.027) 5.335 14.981 ( -11.375 12.625 0.781) 17.012 15.392 ( -3.569 -5.308 -4.742) 7.963 15.588 ( -3.994 0.370 8.823) 9.692 15.992 ( -2.397 -9.651 -0.250) 9.947 16.262 ( 0.426 3.713 -5.713) 6.827 16.484 ( -0.113 -4.061 -2.157) 4.600 16.755 ( 2.738 4.049 -2.492) 5.487 16.998 ( -7.062 -5.252 -2.327) 9.104 17.438 ( 0.087 4.259 1.502) 4.517 17.675 ( 3.968 -6.433 5.203) 9.176 18.549 ( 5.846 27.342 1.760) 28.016 19.637 ( 6.352 -22.909 -2.878) 23.947 ======================= Grid point 143 (75/170) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 3.851 -9.455 0.814) 10.242 1.822 ( 3.851 9.456 0.814) 10.242 2.162 ( 0.722 -13.093 3.390) 13.544 2.162 ( 0.722 13.093 3.390) 13.544 2.694 ( -1.037 -14.209 -11.492) 18.304 2.694 ( -1.037 14.209 -11.492) 18.304 2.999 ( -1.620 -1.918 -2.129) 3.292 2.999 ( -1.620 1.918 -2.129) 3.292 3.126 ( -2.834 -0.462 -4.417) 5.268 3.126 ( -2.834 0.462 -4.417) 5.268 3.415 ( 3.190 -13.989 5.211) 15.265 3.415 ( 3.190 13.989 5.211) 15.265 4.001 ( 0.650 -2.580 13.437) 13.698 4.001 ( 0.650 2.580 13.437) 13.698 4.371 ( -3.281 -4.966 -2.764) 6.562 4.371 ( -3.281 4.966 -2.763) 6.562 4.539 ( 0.857 -2.260 4.235) 4.876 4.539 ( 0.857 2.260 4.235) 4.876 5.861 ( 1.385 -2.207 -4.919) 5.566 5.861 ( 1.385 2.207 -4.919) 5.566 6.422 ( -0.510 -6.134 -1.036) 6.242 6.422 ( -0.510 6.134 -1.036) 6.242 7.033 ( -0.325 -0.976 -5.948) 6.036 7.033 ( -0.325 0.976 -5.948) 6.036 7.600 ( -0.032 -3.188 1.110) 3.376 7.600 ( -0.032 3.188 1.110) 3.376 7.708 ( 1.452 -3.350 1.097) 3.812 7.708 ( 1.452 3.350 1.097) 3.813 7.785 ( 0.238 -0.370 0.383) 0.584 7.785 ( 0.238 0.370 0.383) 0.584 8.685 ( -1.151 -0.986 9.577) 9.696 8.685 ( -1.151 0.986 9.577) 9.696 9.585 ( -0.492 -4.031 -1.225) 4.242 9.585 ( -0.492 4.031 -1.225) 4.242 9.843 ( -0.424 -0.118 -6.825) 6.839 9.843 ( -0.424 0.118 -6.825) 6.839 10.173 ( 2.684 -5.809 2.332) 6.811 10.173 ( 2.684 5.809 2.332) 6.811 10.684 ( -1.246 -1.441 0.655) 2.014 10.684 ( -1.246 1.441 0.655) 2.014 11.608 ( 3.396 -3.172 2.465) 5.260 11.608 ( 3.396 3.172 2.465) 5.260 11.699 ( -3.035 -7.251 -0.971) 7.920 11.699 ( -3.035 7.251 -0.971) 7.920 12.964 ( -0.818 -7.939 -2.976) 8.517 12.964 ( -0.818 7.939 -2.976) 8.518 13.411 ( 0.273 -4.529 3.897) 5.981 13.411 ( 0.273 4.529 3.897) 5.981 15.131 ( -0.326 -10.637 -0.532) 10.655 15.131 ( -0.326 10.637 -0.532) 10.655 15.772 ( -0.600 -9.301 5.221) 10.683 15.772 ( -0.600 9.301 5.221) 10.683 16.292 ( 0.892 -6.276 -10.168) 11.982 16.292 ( 0.892 6.276 -10.168) 11.982 16.773 ( -3.054 -4.740 -5.285) 7.728 16.773 ( -3.054 4.741 -5.285) 7.728 17.701 ( 3.511 -7.998 11.970) 14.818 17.701 ( 3.511 7.998 11.970) 14.818 19.132 ( -0.711 -24.773 -4.027) 25.108 19.132 ( -0.711 24.773 -4.027) 25.108 ======================= Grid point 145 (76/170) ======================= q-point: ( 0.09 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 8.325 -3.527 1.343) 9.141 1.948 ( 8.325 3.528 1.343) 9.141 2.211 ( -0.220 -6.471 2.126) 6.815 2.211 ( -0.220 6.471 2.126) 6.815 2.535 ( -0.493 -15.268 -11.065) 18.862 2.535 ( -0.493 15.268 -11.065) 18.862 2.856 ( -9.346 -3.564 -5.309) 11.324 2.856 ( -9.346 3.564 -5.309) 11.324 3.105 ( -0.412 -4.463 4.295) 6.208 3.105 ( -0.412 4.464 4.295) 6.208 3.470 ( -0.620 -8.786 0.817) 8.845 3.470 ( -0.620 8.786 0.817) 8.846 4.149 ( -0.999 -4.168 7.707) 8.819 4.149 ( -0.999 4.168 7.707) 8.819 4.305 ( -1.716 -3.896 3.452) 5.481 4.305 ( -1.716 3.896 3.452) 5.481 4.562 ( -3.298 -3.298 3.530) 5.849 4.562 ( -3.298 3.298 3.530) 5.849 5.778 ( -3.783 -1.771 -6.096) 7.390 5.778 ( -3.783 1.771 -6.096) 7.390 6.425 ( 2.633 -5.102 -0.929) 5.816 6.425 ( 2.633 5.102 -0.929) 5.816 6.892 ( -8.162 -2.279 -4.066) 9.399 6.892 ( -8.162 2.279 -4.066) 9.399 7.532 ( -3.657 -1.848 -0.618) 4.144 7.532 ( -3.657 1.848 -0.618) 4.144 7.788 ( -0.842 -2.041 0.294) 2.227 7.788 ( -0.842 2.041 0.294) 2.227 7.902 ( 14.212 -2.738 1.741) 14.578 7.902 ( 14.212 2.738 1.741) 14.578 8.826 ( 2.532 -1.760 11.661) 12.062 8.826 ( 2.532 1.760 11.661) 12.062 9.559 ( 0.394 -2.293 -2.343) 3.302 9.559 ( 0.394 2.293 -2.343) 3.302 9.771 ( 2.454 -3.023 -7.936) 8.839 9.771 ( 2.454 3.023 -7.936) 8.839 10.270 ( 4.406 -3.725 1.365) 5.929 10.270 ( 4.406 3.726 1.365) 5.929 10.677 ( -0.114 -0.890 1.203) 1.500 10.677 ( -0.114 0.890 1.202) 1.500 11.544 ( -8.799 -6.648 0.518) 11.040 11.544 ( -8.799 6.649 0.518) 11.040 11.767 ( 6.642 -2.967 1.233) 7.378 11.767 ( 6.642 2.968 1.233) 7.378 12.933 ( 1.452 -4.636 -2.468) 5.449 12.933 ( 1.452 4.636 -2.468) 5.449 13.425 ( -3.852 -2.796 3.646) 5.996 13.425 ( -3.852 2.796 3.646) 5.996 15.177 ( 5.828 -8.294 -1.105) 10.197 15.177 ( 5.828 8.294 -1.105) 10.197 15.843 ( 1.700 -5.329 5.357) 7.745 15.843 ( 1.700 5.329 5.357) 7.745 16.191 ( 1.600 -5.906 -9.544) 11.337 16.191 ( 1.600 5.906 -9.544) 11.337 16.697 ( 0.954 -8.063 -4.317) 9.196 16.697 ( 0.954 8.063 -4.317) 9.196 17.880 ( 1.201 -8.371 11.601) 14.356 17.880 ( 1.201 8.371 11.601) 14.356 19.010 ( -7.301 -21.390 -5.372) 23.231 19.010 ( -7.301 21.390 -5.372) 23.231 ======================= Grid point 147 (77/170) ======================= q-point: ( 0.18 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 3.398 -6.755 -0.783) 7.602 2.071 ( 3.398 6.756 -0.783) 7.603 2.146 ( -2.226 -4.600 -6.939) 8.618 2.146 ( -2.226 4.601 -6.939) 8.618 2.496 ( 4.053 -11.794 -3.086) 12.847 2.496 ( 4.053 11.794 -3.086) 12.847 2.635 ( -10.632 -1.744 -0.827) 10.806 2.635 ( -10.632 1.744 -0.827) 10.806 3.167 ( -0.056 -3.925 5.440) 6.709 3.167 ( -0.056 3.925 5.440) 6.709 3.433 ( -3.003 -2.990 -1.001) 4.354 3.433 ( -3.003 2.990 -1.001) 4.354 4.099 ( -6.463 -4.465 1.407) 7.981 4.099 ( -6.463 4.465 1.407) 7.981 4.396 ( 1.582 -6.669 2.576) 7.322 4.396 ( 1.582 6.669 2.576) 7.322 4.541 ( -3.534 -1.000 7.018) 7.921 4.541 ( -3.535 1.000 7.018) 7.921 5.621 ( -6.557 -1.762 -5.109) 8.497 5.621 ( -6.557 1.762 -5.109) 8.497 6.482 ( 3.705 -6.195 -0.239) 7.222 6.482 ( 3.705 6.195 -0.239) 7.223 6.719 ( -6.736 -4.682 -2.053) 8.456 6.719 ( -6.736 4.682 -2.053) 8.456 7.490 ( -1.381 -3.812 -0.098) 4.055 7.490 ( -1.381 3.812 -0.098) 4.056 7.764 ( -1.592 -3.087 -0.617) 3.527 7.764 ( -1.592 3.087 -0.617) 3.527 8.156 ( 12.866 -1.863 2.549) 13.248 8.156 ( 12.866 1.863 2.549) 13.248 8.988 ( 2.042 -1.878 9.182) 9.592 8.988 ( 2.042 1.878 9.182) 9.592 9.535 ( 2.075 -2.802 -5.961) 6.906 9.535 ( 2.075 2.802 -5.962) 6.907 9.777 ( 5.875 -4.001 -3.339) 7.853 9.777 ( 5.875 4.001 -3.339) 7.853 10.315 ( 2.193 -2.264 -2.434) 3.982 10.315 ( 2.193 2.264 -2.434) 3.982 10.720 ( 2.149 -1.169 2.957) 3.838 10.720 ( 2.149 1.170 2.957) 3.838 11.391 ( -9.108 -5.079 -0.604) 10.446 11.391 ( -9.108 5.079 -0.604) 10.446 11.881 ( 4.814 -4.636 1.421) 6.833 11.881 ( 4.814 4.636 1.421) 6.833 12.970 ( 4.735 -1.736 -0.147) 5.045 12.970 ( 4.735 1.736 -0.147) 5.045 13.368 ( -6.534 -1.910 1.951) 7.082 13.368 ( -6.534 1.910 1.951) 7.082 15.263 ( 6.087 -4.903 -2.127) 8.100 15.263 ( 6.087 4.903 -2.127) 8.100 15.905 ( 0.964 -7.751 -0.667) 7.840 15.905 ( 0.964 7.752 -0.667) 7.840 16.206 ( 7.968 -11.823 1.027) 14.294 16.206 ( 7.968 11.823 1.027) 14.294 16.712 ( 5.637 -9.321 -2.980) 11.293 16.712 ( 5.637 9.321 -2.980) 11.293 17.977 ( -2.099 -5.928 6.004) 8.694 17.977 ( -2.099 5.928 6.004) 8.694 18.787 ( -12.607 -14.623 -3.912) 19.699 18.787 ( -12.607 14.623 -3.912) 19.699 ======================= Grid point 149 (78/170) ======================= q-point: ( 0.27 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( -5.554 -1.869 -3.637) 6.897 1.972 ( -5.554 1.869 -3.636) 6.897 2.086 ( -0.890 -4.132 -6.469) 7.728 2.086 ( -0.891 4.133 -6.469) 7.728 2.497 ( 0.895 -8.168 -2.468) 8.579 2.497 ( 0.895 8.168 -2.468) 8.579 2.577 ( -1.976 -6.940 5.867) 9.300 2.577 ( -1.976 6.940 5.866) 9.300 3.174 ( -2.957 -4.740 -0.567) 5.616 3.174 ( -2.957 4.740 -0.567) 5.616 3.374 ( -3.275 -4.113 0.794) 5.317 3.374 ( -3.275 4.114 0.794) 5.318 4.038 ( -3.353 -7.149 3.156) 8.504 4.038 ( -3.353 7.149 3.156) 8.504 4.346 ( -4.843 -8.938 -2.036) 10.368 4.346 ( -4.843 8.938 -2.036) 10.368 4.620 ( 1.873 -0.906 4.755) 5.190 4.620 ( 1.873 0.906 4.755) 5.191 5.476 ( -5.538 -1.462 -2.151) 6.119 5.476 ( -5.538 1.462 -2.151) 6.119 6.466 ( -3.968 -8.262 -1.206) 9.244 6.466 ( -3.968 8.262 -1.206) 9.244 6.706 ( 4.750 -3.597 1.757) 6.211 6.706 ( 4.750 3.597 1.757) 6.211 7.464 ( -1.910 -4.309 -0.251) 4.720 7.464 ( -1.910 4.310 -0.251) 4.720 7.729 ( -1.296 -3.322 -1.089) 3.728 7.729 ( -1.296 3.322 -1.089) 3.728 8.362 ( 8.056 -1.094 1.665) 8.299 8.362 ( 8.056 1.094 1.665) 8.299 9.105 ( 3.191 -0.725 5.698) 6.571 9.105 ( 3.191 0.725 5.698) 6.571 9.496 ( 0.933 -2.653 -5.781) 6.429 9.496 ( 0.933 2.653 -5.781) 6.429 9.852 ( 5.411 -4.104 -1.827) 7.033 9.852 ( 5.412 4.104 -1.827) 7.033 10.331 ( 3.600 -0.615 -1.582) 3.980 10.331 ( 3.600 0.616 -1.582) 3.980 10.796 ( 2.632 -1.551 2.997) 4.280 10.796 ( 2.632 1.551 2.997) 4.280 11.236 ( -8.056 -2.309 -1.381) 8.494 11.236 ( -8.056 2.310 -1.381) 8.494 11.952 ( 2.510 -5.952 0.484) 6.478 11.952 ( 2.510 5.952 0.484) 6.478 13.069 ( 5.850 -2.428 0.489) 6.352 13.069 ( 5.850 2.428 0.489) 6.352 13.268 ( -6.600 -0.755 0.941) 6.709 13.268 ( -6.600 0.755 0.941) 6.709 15.330 ( 4.390 -4.015 -0.989) 6.031 15.330 ( 4.390 4.015 -0.989) 6.031 15.878 ( -1.157 -9.187 -1.987) 9.471 15.878 ( -1.157 9.187 -1.987) 9.471 16.448 ( 14.476 -14.345 5.721) 21.168 16.448 ( 14.476 14.345 5.721) 21.168 16.812 ( 9.153 -6.834 -1.160) 11.481 16.812 ( 9.153 6.834 -1.160) 11.481 17.925 ( -5.853 -5.700 -3.993) 9.093 17.925 ( -5.853 5.700 -3.993) 9.093 18.535 ( -15.231 -2.687 1.530) 15.542 18.535 ( -15.231 2.687 1.530) 15.542 ======================= Grid point 151 (79/170) ======================= q-point: ( 0.36 -0.50 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -6.289 -0.661 -1.774) 6.568 1.854 ( -6.289 0.661 -1.774) 6.568 2.011 ( 1.546 -7.039 -3.019) 7.814 2.011 ( 1.546 7.039 -3.019) 7.814 2.486 ( -1.977 -7.308 0.181) 7.573 2.486 ( -1.977 7.309 0.181) 7.573 2.614 ( -0.563 -7.089 4.189) 8.253 2.614 ( -0.563 7.089 4.189) 8.253 3.095 ( -2.726 -4.002 -2.432) 5.419 3.095 ( -2.726 4.002 -2.432) 5.419 3.342 ( -2.116 -3.737 1.108) 4.435 3.342 ( -2.116 3.737 1.108) 4.436 4.047 ( -0.459 -6.097 2.707) 6.686 4.047 ( -0.459 6.097 2.707) 6.687 4.240 ( -4.740 -6.796 -1.855) 8.490 4.240 ( -4.740 6.796 -1.855) 8.491 4.666 ( 1.638 -1.187 -2.322) 3.080 4.666 ( 1.638 1.188 -2.322) 3.080 5.392 ( -3.354 -0.914 0.212) 3.483 5.392 ( -3.354 0.914 0.212) 3.483 6.397 ( -2.677 -9.266 -0.360) 9.651 6.397 ( -2.677 9.266 -0.360) 9.651 6.828 ( 5.218 -3.558 3.131) 7.049 6.828 ( 5.218 3.558 3.131) 7.049 7.422 ( -2.544 -4.290 -0.153) 4.990 7.422 ( -2.544 4.290 -0.153) 4.990 7.699 ( -0.514 -2.878 -1.530) 3.300 7.699 ( -0.514 2.878 -1.531) 3.300 8.441 ( 2.805 -3.660 -3.285) 5.662 8.441 ( 2.805 3.661 -3.285) 5.662 9.252 ( 5.706 -5.091 6.029) 9.738 9.252 ( 5.706 5.091 6.029) 9.738 9.429 ( -1.337 -0.765 -4.357) 4.621 9.429 ( -1.337 0.765 -4.357) 4.621 9.905 ( 3.322 -6.947 -0.831) 7.745 9.905 ( 3.322 6.947 -0.831) 7.745 10.407 ( 4.405 -1.413 2.273) 5.154 10.407 ( 4.405 1.413 2.273) 5.154 10.864 ( 2.139 -2.811 1.474) 3.827 10.864 ( 2.139 2.812 1.474) 3.828 11.094 ( -6.244 -1.648 -2.507) 6.927 11.094 ( -6.244 1.648 -2.507) 6.927 11.982 ( 1.027 -5.785 0.059) 5.876 11.982 ( 1.027 5.785 0.059) 5.876 13.104 ( -0.468 -4.867 -3.784) 6.182 13.104 ( -0.468 4.867 -3.784) 6.183 13.232 ( 0.081 -6.004 3.676) 7.041 13.232 ( 0.081 6.004 3.676) 7.041 15.395 ( 2.860 -5.219 1.970) 6.269 15.395 ( 2.860 5.219 1.970) 6.269 15.843 ( -1.525 -8.746 0.331) 8.884 15.843 ( -1.525 8.746 0.331) 8.885 16.740 ( 13.474 -12.641 0.769) 18.491 16.740 ( 13.474 12.641 0.769) 18.491 16.999 ( 12.121 -8.610 4.396) 15.504 16.999 ( 12.121 8.610 4.396) 15.504 17.704 ( -8.712 -13.802 -11.620) 20.035 17.704 ( -8.713 13.802 -11.620) 20.035 18.330 ( -14.248 -11.233 5.180) 18.868 18.330 ( -14.248 11.233 5.180) 18.868 ======================= Grid point 153 (80/170) ======================= q-point: ( 0.45 -0.50 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -2.906 -1.223 -4.546) 5.532 1.730 ( -2.906 1.223 -4.546) 5.532 2.084 ( 4.041 -6.598 4.811) 9.111 2.084 ( 4.041 6.598 4.810) 9.111 2.457 ( -1.295 -6.338 2.098) 6.800 2.457 ( -1.295 6.338 2.098) 6.801 2.636 ( -1.709 -6.054 2.466) 6.757 2.636 ( -1.709 6.054 2.466) 6.757 3.065 ( 0.795 -3.825 -0.117) 3.908 3.065 ( 0.795 3.825 -0.117) 3.909 3.323 ( -1.646 -1.822 1.050) 2.670 3.323 ( -1.646 1.822 1.050) 2.671 4.050 ( -1.590 -3.502 -0.836) 3.936 4.050 ( -1.590 3.502 -0.836) 3.936 4.173 ( -0.777 -3.510 -0.283) 3.607 4.173 ( -0.777 3.511 -0.283) 3.607 4.619 ( 0.402 -1.855 -8.840) 9.042 4.619 ( 0.402 1.855 -8.840) 9.042 5.364 ( -1.161 -0.916 1.355) 2.005 5.364 ( -1.161 0.916 1.355) 2.005 6.369 ( -0.662 -8.644 0.212) 8.671 6.369 ( -0.662 8.644 0.212) 8.672 6.916 ( 0.725 -2.549 2.639) 3.740 6.916 ( 0.725 2.549 2.639) 3.740 7.398 ( -0.776 -4.053 1.758) 4.486 7.398 ( -0.776 4.053 1.758) 4.486 7.679 ( 0.460 -2.141 -1.903) 2.901 7.679 ( 0.460 2.141 -1.903) 2.901 8.404 ( 1.106 -5.116 -7.989) 9.551 8.404 ( 1.106 5.116 -7.989) 9.551 9.263 ( -2.754 -5.126 -6.327) 8.596 9.263 ( -2.754 5.126 -6.327) 8.596 9.505 ( 4.638 -1.249 10.294) 11.360 9.505 ( 4.638 1.249 10.294) 11.360 9.959 ( 2.185 -8.228 2.484) 8.868 9.959 ( 2.185 8.228 2.484) 8.868 10.495 ( 0.655 -1.506 4.438) 4.732 10.495 ( 0.655 1.506 4.438) 4.732 10.869 ( -1.129 -3.038 -3.832) 5.019 10.869 ( -1.129 3.039 -3.832) 5.019 11.005 ( -0.472 -1.938 -1.022) 2.241 11.005 ( -0.472 1.938 -1.022) 2.242 11.994 ( 0.280 -5.055 0.249) 5.069 11.994 ( 0.280 5.056 0.249) 5.069 13.049 ( 0.232 -4.260 -3.986) 5.839 13.049 ( 0.232 4.260 -3.986) 5.839 13.272 ( -0.476 -5.617 2.339) 6.103 13.272 ( -0.476 5.617 2.339) 6.103 15.460 ( 0.201 -3.916 4.471) 5.947 15.460 ( 0.201 3.916 4.471) 5.947 15.851 ( 0.317 -6.949 3.511) 7.792 15.851 ( 0.317 6.949 3.511) 7.792 16.859 ( 3.537 -15.204 -5.149) 16.437 16.859 ( 3.537 15.204 -5.149) 16.437 17.217 ( 0.064 -9.414 -0.383) 9.422 17.217 ( 0.064 9.414 -0.383) 9.422 17.524 ( 8.013 -16.902 -2.688) 18.897 17.524 ( 8.013 16.902 -2.688) 18.897 18.165 ( -10.966 -15.786 2.588) 19.394 18.165 ( -10.966 15.786 2.588) 19.394 ======================= Grid point 155 (81/170) ======================= q-point: (-0.45 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 5.944 -3.961 -4.428) 8.404 1.699 ( 5.944 3.961 -4.428) 8.404 2.195 ( 1.311 -4.292 6.539) 7.931 2.195 ( 1.311 4.292 6.539) 7.931 2.512 ( 0.731 -5.072 4.957) 7.130 2.512 ( 0.731 5.072 4.957) 7.130 2.626 ( -0.626 -8.004 1.795) 8.226 2.626 ( -0.626 8.004 1.795) 8.227 3.088 ( 1.426 -4.040 -1.582) 4.567 3.088 ( 1.426 4.040 -1.582) 4.567 3.322 ( -0.848 -1.594 3.743) 4.156 3.322 ( -0.848 1.594 3.743) 4.156 3.987 ( -2.520 -3.622 -2.320) 4.986 3.987 ( -2.520 3.622 -2.320) 4.986 4.203 ( 3.823 -8.143 -0.385) 9.004 4.203 ( 3.823 8.143 -0.385) 9.004 4.490 ( -0.558 -1.759 -13.210) 13.339 4.490 ( -0.558 1.759 -13.210) 13.339 5.385 ( 1.460 -0.615 1.955) 2.517 5.385 ( 1.460 0.615 1.955) 2.517 6.381 ( 1.292 -6.676 1.149) 6.896 6.381 ( 1.292 6.676 1.149) 6.896 6.904 ( -4.509 -4.360 1.511) 6.451 6.904 ( -4.509 4.360 1.511) 6.451 7.435 ( 1.011 -4.871 3.531) 6.101 7.435 ( 1.011 4.872 3.531) 6.101 7.675 ( 1.658 -1.199 -1.620) 2.610 7.675 ( 1.658 1.199 -1.620) 2.610 8.313 ( 0.866 -5.262 -10.893) 12.128 8.313 ( 0.866 5.262 -10.893) 12.128 9.139 ( -3.706 -1.650 -5.219) 6.611 9.139 ( -3.706 1.650 -5.219) 6.611 9.681 ( 1.027 -2.743 10.733) 11.126 9.681 ( 1.027 2.743 10.733) 11.126 10.027 ( 0.454 -6.333 5.107) 8.148 10.027 ( 0.454 6.333 5.107) 8.149 10.508 ( -4.039 -2.587 3.317) 5.832 10.508 ( -4.039 2.588 3.317) 5.832 10.779 ( -2.050 -0.191 -5.558) 5.927 10.779 ( -2.050 0.192 -5.558) 5.927 11.037 ( 4.518 -0.814 -0.894) 4.677 11.037 ( 4.518 0.814 -0.894) 4.677 11.997 ( -0.544 -3.825 0.503) 3.896 11.997 ( -0.544 3.825 0.503) 3.896 13.023 ( 2.264 -3.817 -4.893) 6.606 13.023 ( 2.264 3.817 -4.893) 6.606 13.269 ( -2.468 -2.876 2.318) 4.442 13.269 ( -2.468 2.876 2.318) 4.442 15.500 ( -2.060 -1.691 5.765) 6.352 15.500 ( -2.060 1.691 5.765) 6.352 15.933 ( 1.763 -7.349 7.087) 10.360 15.933 ( 1.763 7.349 7.087) 10.360 16.720 ( -9.443 -18.260 -9.329) 22.575 16.720 ( -9.443 18.260 -9.329) 22.575 17.079 ( -5.209 -6.919 -4.721) 9.864 17.079 ( -5.209 6.919 -4.721) 9.864 17.822 ( 13.515 -20.743 5.246) 25.307 17.822 ( 13.515 20.743 5.246) 25.307 18.049 ( -0.195 -16.794 -0.958) 16.822 18.049 ( -0.195 16.794 -0.958) 16.822 ======================= Grid point 157 (82/170) ======================= q-point: (-0.36 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 12.642 -7.917 -2.765) 15.170 1.821 ( 12.642 7.917 -2.765) 15.170 2.303 ( 4.238 -5.993 5.771) 9.337 2.303 ( 4.238 5.993 5.771) 9.337 2.480 ( -7.161 -7.646 1.020) 10.526 2.480 ( -7.161 7.647 1.020) 10.526 2.703 ( 1.987 -10.177 5.545) 11.759 2.703 ( 1.987 10.177 5.545) 11.759 3.046 ( -0.616 -0.893 -5.763) 5.864 3.046 ( -0.616 0.893 -5.763) 5.864 3.390 ( 0.670 -4.987 6.977) 8.602 3.390 ( 0.670 4.987 6.977) 8.602 3.949 ( 1.102 -1.859 -1.491) 2.626 3.949 ( 1.102 1.859 -1.491) 2.626 4.257 ( 4.345 -10.981 -6.982) 13.719 4.257 ( 4.345 10.981 -6.982) 13.719 4.343 ( 0.499 -3.300 -7.308) 8.034 4.343 ( 0.499 3.300 -7.308) 8.034 5.461 ( 5.059 -1.943 2.107) 5.815 5.461 ( 5.059 1.943 2.107) 5.815 6.434 ( 3.083 -3.786 1.094) 5.004 6.434 ( 3.083 3.787 1.094) 5.004 6.826 ( -6.310 -5.320 1.827) 8.453 6.826 ( -6.310 5.320 1.827) 8.453 7.487 ( 0.396 -4.156 3.129) 5.217 7.487 ( 0.396 4.156 3.129) 5.217 7.704 ( 2.690 -2.156 0.292) 3.460 7.704 ( 2.690 2.156 0.292) 3.460 8.196 ( 0.330 -4.547 -11.458) 12.332 8.196 ( 0.330 4.547 -11.458) 12.332 9.026 ( -4.623 -1.299 -2.965) 5.644 9.026 ( -4.623 1.299 -2.965) 5.644 9.747 ( -4.214 -2.231 4.888) 6.829 9.747 ( -4.215 2.232 4.888) 6.829 10.077 ( -3.675 -4.621 7.945) 9.898 10.077 ( -3.675 4.621 7.945) 9.898 10.480 ( -1.977 -1.099 2.912) 3.687 10.480 ( -1.977 1.099 2.912) 3.687 10.675 ( -2.956 -2.424 -6.089) 7.190 10.675 ( -2.956 2.424 -6.089) 7.190 11.125 ( 7.015 -3.354 -0.876) 7.825 11.125 ( 7.015 3.354 -0.876) 7.825 11.980 ( -2.202 -1.797 0.188) 2.848 11.980 ( -2.202 1.797 0.188) 2.848 13.003 ( 1.893 -1.106 -4.851) 5.324 13.003 ( 1.893 1.106 -4.851) 5.324 13.259 ( -1.711 -3.654 2.441) 4.716 13.259 ( -1.711 3.654 2.441) 4.716 15.530 ( -2.944 -0.349 7.171) 7.760 15.530 ( -2.944 0.349 7.171) 7.760 16.017 ( -2.731 -8.135 4.588) 9.730 16.017 ( -2.731 8.135 4.588) 9.730 16.454 ( -8.727 -13.888 -4.448) 16.995 16.454 ( -8.727 13.888 -4.448) 16.995 16.947 ( -5.976 -8.659 -2.954) 10.928 16.947 ( -5.976 8.659 -2.954) 10.928 17.828 ( -3.026 -11.893 -6.405) 13.843 17.828 ( -3.026 11.893 -6.405) 13.843 18.315 ( 19.515 -24.227 5.316) 31.560 18.315 ( 19.515 24.227 5.316) 31.560 ======================= Grid point 159 (83/170) ======================= q-point: (-0.27 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 8.889 -11.442 -2.219) 14.658 1.993 ( 8.889 11.442 -2.219) 14.658 2.313 ( -8.387 -8.170 -4.140) 12.419 2.313 ( -8.387 8.170 -4.140) 12.420 2.496 ( 9.316 -8.750 5.710) 13.998 2.496 ( 9.316 8.750 5.710) 13.998 2.768 ( 0.119 -11.363 3.512) 11.894 2.768 ( 0.119 11.363 3.512) 11.894 2.999 ( 1.046 -1.974 -0.975) 2.437 2.999 ( 1.046 1.974 -0.975) 2.437 3.460 ( -0.875 -8.163 4.958) 9.591 3.460 ( -0.875 8.163 4.958) 9.591 3.943 ( 1.188 -3.750 -7.892) 8.818 3.943 ( 1.188 3.750 -7.892) 8.818 4.197 ( 2.702 -5.939 -2.525) 6.996 4.197 ( 2.702 5.939 -2.525) 6.996 4.388 ( 5.061 -9.032 -0.516) 10.366 4.388 ( 5.061 9.032 -0.516) 10.366 5.596 ( 8.567 -3.050 1.216) 9.174 5.596 ( 8.567 3.050 1.216) 9.174 6.483 ( 1.900 -5.177 -1.006) 5.606 6.483 ( 1.900 5.177 -1.006) 5.606 6.774 ( -2.249 -3.234 3.405) 5.207 6.774 ( -2.249 3.234 3.405) 5.207 7.521 ( 0.149 -1.456 2.551) 2.941 7.521 ( 0.149 1.456 2.551) 2.941 7.760 ( 1.824 -3.758 2.155) 4.701 7.760 ( 1.824 3.758 2.155) 4.701 8.068 ( -1.247 -3.132 -10.077) 10.626 8.068 ( -1.247 3.133 -10.077) 10.626 8.914 ( -6.781 -2.369 -0.352) 7.192 8.914 ( -6.781 2.370 -0.352) 7.192 9.664 ( -6.501 -1.413 -1.437) 6.806 9.664 ( -6.501 1.414 -1.437) 6.806 10.076 ( -6.249 -6.270 6.847) 11.191 10.076 ( -6.249 6.270 6.847) 11.191 10.483 ( -6.734 -2.407 2.479) 7.568 10.483 ( -6.734 2.407 2.479) 7.568 10.580 ( 2.971 -2.407 -4.099) 5.606 10.580 ( 2.971 2.408 -4.099) 5.606 11.242 ( 8.220 -4.792 -1.077) 9.576 11.242 ( 8.220 4.792 -1.077) 9.576 11.927 ( -4.058 -3.005 -0.137) 5.051 11.927 ( -4.058 3.005 -0.137) 5.051 12.989 ( 1.269 -2.387 -1.852) 3.277 12.989 ( 1.269 2.387 -1.852) 3.277 13.267 ( 0.326 -7.224 0.843) 7.280 13.267 ( 0.326 7.224 0.843) 7.280 15.545 ( -6.831 -0.602 7.849) 10.423 15.545 ( -6.831 0.602 7.849) 10.423 15.877 ( -8.807 -14.104 -6.111) 17.715 15.877 ( -8.807 14.104 -6.111) 17.715 16.417 ( -0.785 -4.821 6.219) 7.907 16.417 ( -0.785 4.821 6.219) 7.908 16.836 ( -4.431 -11.051 0.610) 11.922 16.836 ( -4.431 11.051 0.610) 11.922 17.691 ( -1.903 -7.980 -10.161) 13.059 17.691 ( -1.903 7.980 -10.161) 13.059 18.680 ( 17.214 -25.891 4.093) 31.360 18.680 ( 17.214 25.891 4.093) 31.360 ======================= Grid point 161 (84/170) ======================= q-point: (-0.18 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( -5.565 -10.841 -4.764) 13.084 1.986 ( -5.565 10.842 -4.764) 13.085 2.162 ( -2.384 -10.941 -2.558) 11.487 2.162 ( -2.384 10.942 -2.558) 11.487 2.720 ( 10.858 -7.506 -1.474) 13.282 2.720 ( 10.858 7.506 -1.474) 13.282 2.836 ( 3.992 -13.758 6.203) 15.611 2.836 ( 3.992 13.758 6.203) 15.611 3.058 ( 3.869 -2.240 2.891) 5.324 3.058 ( 3.869 2.240 2.891) 5.324 3.457 ( -3.136 -9.834 -0.920) 10.363 3.457 ( -3.136 9.835 -0.920) 10.363 3.842 ( -1.169 -5.566 -4.315) 7.139 3.842 ( -1.169 5.566 -4.315) 7.139 4.300 ( 5.232 -7.002 4.929) 10.035 4.300 ( 5.232 7.002 4.929) 10.035 4.448 ( 3.110 -9.360 -1.696) 10.008 4.448 ( 3.110 9.360 -1.696) 10.008 5.749 ( 8.935 -3.141 -1.099) 9.535 5.749 ( 8.935 3.141 -1.099) 9.535 6.473 ( -1.146 -8.776 -0.696) 8.877 6.473 ( -1.146 8.776 -0.696) 8.878 6.843 ( 6.191 -0.985 2.284) 6.672 6.843 ( 6.191 0.985 2.284) 6.672 7.553 ( 0.639 -1.846 1.734) 2.612 7.553 ( 0.639 1.846 1.734) 2.612 7.783 ( -1.213 -4.930 -0.319) 5.087 7.783 ( -1.213 4.930 -0.319) 5.088 7.938 ( -3.788 -2.449 -4.611) 6.450 7.938 ( -3.788 2.449 -4.611) 6.450 8.788 ( -9.747 -3.198 2.548) 10.570 8.788 ( -9.747 3.199 2.548) 10.570 9.564 ( -1.630 -4.133 -2.108) 4.918 9.564 ( -1.630 4.134 -2.108) 4.918 10.027 ( -5.586 -4.682 1.966) 7.550 10.027 ( -5.586 4.683 1.966) 7.550 10.327 ( -8.318 -3.039 -3.329) 9.461 10.327 ( -8.318 3.039 -3.329) 9.461 10.642 ( 2.288 -1.473 2.611) 3.771 10.642 ( 2.288 1.473 2.611) 3.771 11.368 ( 8.484 -4.796 -1.372) 9.842 11.368 ( 8.484 4.796 -1.372) 9.842 11.852 ( -4.848 -5.645 0.474) 7.456 11.852 ( -4.848 5.645 0.474) 7.456 13.002 ( 0.742 -5.379 0.506) 5.453 13.002 ( 0.742 5.379 0.506) 5.454 13.290 ( 2.190 -6.982 -0.023) 7.318 13.290 ( 2.189 6.982 -0.023) 7.318 15.418 ( -13.798 -6.327 1.446) 15.248 15.418 ( -13.798 6.327 1.446) 15.248 15.748 ( -2.134 -13.938 -0.125) 14.101 15.748 ( -2.134 13.938 -0.125) 14.101 16.435 ( -1.258 -2.879 -1.219) 3.370 16.435 ( -1.258 2.879 -1.219) 3.371 16.846 ( -1.013 -10.259 7.436) 12.711 16.846 ( -1.013 10.259 7.436) 12.711 17.557 ( -0.442 -5.038 -8.382) 9.789 17.557 ( -0.442 5.038 -8.382) 9.789 18.961 ( 12.432 -26.584 1.573) 29.389 18.961 ( 12.432 26.584 1.573) 29.389 ======================= Grid point 163 (85/170) ======================= q-point: (-0.09 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -4.099 -12.141 -3.055) 13.173 1.835 ( -4.099 12.141 -3.055) 13.174 2.135 ( -0.550 -15.554 0.854) 15.587 2.135 ( -0.550 15.554 0.854) 15.587 2.779 ( 2.653 -9.943 -5.427) 11.634 2.779 ( 2.653 9.943 -5.427) 11.634 2.983 ( 5.085 -4.996 0.040) 7.129 2.983 ( 5.085 4.996 0.040) 7.129 3.176 ( 5.352 -4.956 1.108) 7.378 3.176 ( 5.352 4.956 1.108) 7.378 3.348 ( -3.847 -11.756 -2.041) 12.537 3.348 ( -3.847 11.756 -2.041) 12.537 3.866 ( 0.009 -5.233 8.847) 10.279 3.866 ( 0.009 5.233 8.847) 10.279 4.425 ( 1.682 -5.403 1.245) 5.794 4.425 ( 1.682 5.403 1.245) 5.794 4.457 ( 2.013 -6.178 0.792) 6.546 4.457 ( 2.013 6.178 0.792) 6.546 5.848 ( 5.754 -2.741 -3.406) 7.226 5.848 ( 5.754 2.741 -3.406) 7.226 6.447 ( -1.409 -8.421 -0.124) 8.539 6.447 ( -1.409 8.421 -0.124) 8.539 6.992 ( 9.454 -1.100 -1.802) 9.687 6.992 ( 9.454 1.100 -1.802) 9.687 7.565 ( 0.660 -3.746 -1.179) 3.982 7.565 ( 0.660 3.746 -1.179) 3.982 7.740 ( -2.124 -3.679 0.653) 4.298 7.740 ( -2.124 3.679 0.653) 4.298 7.836 ( -6.190 -3.337 0.050) 7.032 7.836 ( -6.190 3.337 0.050) 7.032 8.675 ( -7.767 -2.301 5.428) 9.751 8.675 ( -7.767 2.301 5.428) 9.751 9.571 ( 2.601 -4.718 -0.148) 5.389 9.571 ( 2.601 4.718 -0.148) 5.389 9.937 ( -3.803 -2.165 -3.542) 5.630 9.937 ( -3.803 2.165 -3.542) 5.630 10.183 ( -4.758 -5.007 -1.148) 7.002 10.183 ( -4.758 5.007 -1.148) 7.002 10.685 ( -0.234 -1.875 1.906) 2.684 10.685 ( -0.234 1.875 1.906) 2.684 11.492 ( 7.735 -3.851 -0.463) 8.653 11.492 ( 7.735 3.851 -0.463) 8.653 11.778 ( -5.148 -7.155 0.832) 8.853 11.778 ( -5.148 7.155 0.832) 8.853 13.003 ( -0.700 -9.017 -0.917) 9.090 13.003 ( -0.700 9.017 -0.917) 9.091 13.345 ( 2.934 -6.085 1.951) 7.032 13.345 ( 2.934 6.085 1.951) 7.032 15.217 ( -8.962 -9.873 -0.811) 13.358 15.217 ( -8.962 9.873 -0.811) 13.358 15.743 ( -1.801 -11.799 3.797) 12.525 15.743 ( -1.801 11.799 3.797) 12.525 16.376 ( 0.307 -5.849 -6.866) 9.025 16.376 ( 0.307 5.849 -6.866) 9.025 16.870 ( -3.240 -6.386 0.309) 7.168 16.870 ( -3.240 6.386 0.309) 7.168 17.544 ( 2.941 -5.771 3.641) 7.430 17.544 ( 2.941 5.771 3.641) 7.430 19.118 ( 6.182 -26.310 -1.382) 27.061 19.118 ( 6.182 26.310 -1.382) 27.062 ======================= Grid point 198 (86/170) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -19.545 0.000 21.710) 29.212 1.126 ( -4.313 0.000 26.026) 26.381 1.706 ( 5.876 0.000 24.439) 25.135 1.845 ( 15.254 0.000 -19.480) 24.741 2.278 ( 0.657 0.000 -17.286) 17.299 2.367 ( 8.395 0.000 -1.189) 8.478 2.981 ( -1.026 0.000 6.809) 6.886 3.026 ( -4.667 0.000 5.711) 7.375 3.173 ( 3.067 0.000 -2.052) 3.691 3.437 ( -4.413 0.000 -9.530) 10.502 3.675 ( 1.026 0.000 5.670) 5.762 3.933 ( -0.159 0.000 -2.605) 2.610 4.038 ( -0.819 0.000 -0.783) 1.133 4.154 ( -1.042 0.000 -2.235) 2.466 4.322 ( 0.057 0.000 2.528) 2.528 4.325 ( -5.200 0.000 4.445) 6.841 4.538 ( -2.268 0.000 9.127) 9.404 4.860 ( 1.371 0.000 -4.875) 5.064 6.059 ( -0.868 0.000 -1.533) 1.762 6.323 ( 2.663 0.000 -12.840) 13.113 6.633 ( -4.691 0.000 -0.403) 4.708 6.770 ( 13.267 0.000 -5.999) 14.560 7.077 ( -7.977 0.000 -0.323) 7.984 7.089 ( 1.495 0.000 -3.065) 3.410 7.355 ( 0.132 0.000 -3.948) 3.950 7.549 ( 0.615 0.000 -10.454) 10.472 7.860 ( 2.388 0.000 2.475) 3.439 7.941 ( -1.880 0.000 -1.597) 2.467 8.245 ( -11.070 0.000 7.049) 13.124 8.330 ( 7.042 0.000 3.028) 7.666 8.925 ( 3.344 0.000 16.931) 17.258 9.098 ( 4.438 0.000 4.214) 6.120 9.230 ( 2.491 0.000 8.918) 9.259 9.321 ( 10.027 0.000 13.974) 17.199 9.509 ( -12.628 0.000 -3.313) 13.056 9.851 ( 1.716 0.000 -9.842) 9.990 9.898 ( -2.822 0.000 -5.728) 6.385 10.158 ( -5.516 0.000 -6.441) 8.480 10.375 ( 9.444 0.000 5.336) 10.847 10.493 ( -5.560 0.000 -0.109) 5.562 11.501 ( 1.544 0.000 4.144) 4.422 11.839 ( 0.420 0.000 13.800) 13.806 11.940 ( -5.219 0.000 -12.145) 13.219 12.192 ( 0.734 0.000 6.522) 6.563 12.278 ( 1.697 0.000 -5.323) 5.587 12.538 ( 1.490 0.000 -9.983) 10.094 13.332 ( -7.300 0.000 5.245) 8.989 13.612 ( 7.878 0.000 -7.653) 10.983 14.645 ( -9.601 0.000 15.179) 17.960 15.393 ( 5.555 0.000 -17.551) 18.409 15.696 ( 3.440 0.000 10.950) 11.478 16.343 ( -3.068 0.000 -15.323) 15.627 16.352 ( 3.163 0.000 4.862) 5.800 16.538 ( -0.718 0.000 -4.973) 5.025 16.701 ( -4.271 0.000 4.376) 6.115 16.840 ( -0.823 0.000 2.956) 3.069 16.977 ( 0.569 0.000 -3.176) 3.226 17.024 ( 3.101 0.000 -7.074) 7.724 19.058 ( 0.555 0.000 29.215) 29.221 20.115 ( -0.354 0.000 -19.151) 19.154 ======================= Grid point 199 (87/170) ======================= q-point: ( 0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -4.202 0.000 17.906) 18.393 1.411 ( 3.989 0.000 24.100) 24.428 1.905 ( 15.701 0.000 -16.895) 23.064 1.932 ( 9.444 0.000 -10.442) 14.080 2.166 ( -3.596 0.000 -0.668) 3.658 2.388 ( 0.875 0.000 -8.788) 8.831 2.984 ( -5.693 0.000 4.928) 7.530 3.099 ( 0.004 0.000 13.546) 13.546 3.138 ( -3.104 0.000 -2.285) 3.855 3.271 ( -2.456 0.000 -8.144) 8.506 3.746 ( -1.858 0.000 7.883) 8.099 3.875 ( -2.140 0.000 -6.987) 7.308 3.994 ( -3.078 0.000 1.823) 3.577 4.046 ( -3.894 0.000 -4.238) 5.755 4.296 ( -3.509 0.000 4.012) 5.330 4.407 ( 2.282 0.000 5.362) 5.827 4.626 ( 0.752 0.000 8.603) 8.636 4.840 ( 3.376 0.000 -5.758) 6.674 5.966 ( -9.585 0.000 1.628) 9.723 6.192 ( -4.346 0.000 -9.451) 10.402 6.461 ( -10.173 0.000 -3.834) 10.871 6.719 ( -5.289 0.000 -5.275) 7.470 6.982 ( -4.035 0.000 2.534) 4.765 7.268 ( 14.262 0.000 0.164) 14.263 7.430 ( 6.461 0.000 0.262) 6.466 7.480 ( 6.216 0.000 -6.618) 9.079 7.901 ( 0.194 0.000 -1.266) 1.281 7.923 ( -0.493 0.000 0.807) 0.945 8.203 ( -0.162 0.000 4.685) 4.688 8.477 ( 6.285 0.000 1.990) 6.593 9.061 ( -5.782 0.000 1.541) 5.984 9.160 ( -0.505 0.000 -1.103) 1.213 9.338 ( -1.923 0.000 2.605) 3.238 9.400 ( 1.843 0.000 13.992) 14.113 9.442 ( -0.657 0.000 -5.417) 5.456 9.821 ( 7.300 0.000 -8.576) 11.263 9.923 ( 1.118 0.000 10.305) 10.366 10.015 ( -1.012 0.000 -5.566) 5.657 10.394 ( -3.384 0.000 -2.802) 4.394 10.561 ( 6.846 0.000 3.058) 7.498 11.632 ( 3.556 0.000 10.380) 10.972 11.695 ( -6.745 0.000 -11.862) 13.646 12.006 ( 2.508 0.000 12.752) 12.996 12.237 ( -3.217 0.000 4.973) 5.923 12.239 ( 3.134 0.000 -8.393) 8.959 12.408 ( -4.168 0.000 -9.594) 10.461 13.267 ( -6.984 0.000 4.352) 8.229 13.633 ( 4.068 0.000 -5.901) 7.167 14.755 ( 0.619 0.000 16.781) 16.793 15.319 ( 7.750 0.000 -14.992) 16.877 15.855 ( -0.250 0.000 11.425) 11.428 16.082 ( -4.299 0.000 -17.020) 17.554 16.460 ( -1.403 0.000 -5.221) 5.406 16.476 ( 3.477 0.000 4.829) 5.951 16.700 ( -4.614 0.000 8.093) 9.316 16.857 ( -0.485 0.000 1.494) 1.570 17.014 ( 7.567 0.000 -5.188) 9.174 17.035 ( 7.839 0.000 -3.635) 8.641 19.348 ( -4.103 0.000 27.178) 27.486 19.825 ( -5.799 0.000 -22.681) 23.411 ======================= Grid point 200 (88/170) ======================= q-point: ( 0.18 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 2.184 0.000 11.381) 11.588 1.750 ( 8.110 0.000 12.163) 14.619 1.882 ( 5.822 0.000 -19.608) 20.454 1.970 ( 10.209 0.000 -6.199) 11.944 2.027 ( -6.763 0.000 -3.989) 7.851 2.283 ( 1.170 0.000 -8.789) 8.867 2.915 ( -8.244 0.000 3.962) 9.147 3.082 ( -4.711 0.000 1.105) 4.839 3.123 ( -3.999 0.000 -9.401) 10.216 3.264 ( 0.278 0.000 12.305) 12.308 3.678 ( -8.626 0.000 -10.225) 13.378 3.786 ( -2.826 0.000 7.595) 8.103 3.987 ( 0.365 0.000 -2.144) 2.175 4.048 ( 2.652 0.000 8.120) 8.542 4.300 ( -0.627 0.000 2.490) 2.568 4.478 ( 1.354 0.000 1.332) 1.899 4.748 ( 2.889 0.000 7.383) 7.928 4.839 ( 4.852 0.000 -6.757) 8.319 5.794 ( -15.184 0.000 5.567) 16.173 5.949 ( -12.863 0.000 -7.706) 14.994 6.306 ( -3.234 0.000 -2.501) 4.088 6.612 ( -2.025 0.000 -2.333) 3.089 6.968 ( -3.594 0.000 4.970) 6.133 7.326 ( 2.172 0.000 -6.519) 6.871 7.464 ( -2.248 0.000 -1.991) 3.003 7.709 ( 9.842 0.000 9.008) 13.342 7.886 ( 2.147 0.000 -2.096) 3.000 7.973 ( 7.776 0.000 2.981) 8.328 8.308 ( 7.612 0.000 -1.229) 7.710 8.553 ( 0.437 0.000 0.971) 1.064 8.858 ( -13.112 0.000 -2.788) 13.405 9.065 ( -3.584 0.000 -7.898) 8.674 9.317 ( -3.206 0.000 -6.972) 7.674 9.373 ( 5.040 0.000 -5.279) 7.299 9.603 ( 3.118 0.000 13.653) 14.004 9.895 ( 7.482 0.000 -3.636) 8.318 9.973 ( -5.517 0.000 4.739) 7.273 10.083 ( 10.999 0.000 2.535) 11.288 10.379 ( 4.492 0.000 -1.072) 4.618 10.665 ( 3.752 0.000 -0.076) 3.752 11.473 ( -7.004 0.000 -7.012) 9.911 11.779 ( -0.676 0.000 8.840) 8.865 12.178 ( -2.950 0.000 -13.109) 13.436 12.199 ( -6.867 0.000 5.507) 8.802 12.220 ( -0.175 0.000 -5.823) 5.825 12.250 ( 9.148 0.000 11.863) 14.981 13.199 ( -6.573 0.000 3.948) 7.667 13.622 ( 1.522 0.000 -4.308) 4.569 15.009 ( 6.754 0.000 16.093) 17.453 15.312 ( 7.287 0.000 -9.124) 11.677 15.866 ( 0.688 0.000 -14.603) 14.619 15.942 ( -4.176 0.000 11.413) 12.153 16.378 ( -1.807 0.000 -4.482) 4.833 16.506 ( -3.992 0.000 0.834) 4.079 16.712 ( -5.068 0.000 8.234) 9.669 16.838 ( -0.157 0.000 -3.607) 3.611 17.090 ( 10.495 0.000 -8.171) 13.300 17.274 ( 17.996 0.000 6.328) 19.076 19.433 ( -8.971 0.000 -24.303) 25.906 19.521 ( -9.495 0.000 23.435) 25.286 ======================= Grid point 201 (89/170) ======================= q-point: ( 0.27 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 0.032 0.000 9.603) 9.603 1.712 ( -5.551 0.000 -5.502) 7.815 1.792 ( 5.540 0.000 -14.570) 15.588 1.981 ( 9.979 0.000 -11.924) 15.549 2.209 ( 4.527 0.000 0.192) 4.531 2.303 ( 7.553 0.000 15.568) 17.303 2.816 ( -7.835 0.000 3.313) 8.507 2.927 ( -5.836 0.000 -4.963) 7.661 2.996 ( -5.982 0.000 -3.478) 6.920 3.305 ( -9.384 0.000 -0.152) 9.385 3.425 ( -7.448 0.000 -2.259) 7.783 3.831 ( -2.585 0.000 7.228) 7.677 3.993 ( 4.770 0.000 -4.552) 6.593 4.201 ( 4.798 0.000 4.311) 6.450 4.325 ( 1.594 0.000 0.768) 1.770 4.476 ( -0.207 0.000 -3.488) 3.494 4.849 ( 6.209 0.000 -7.752) 9.932 4.875 ( 3.447 0.000 5.082) 6.141 5.619 ( -13.643 0.000 6.627) 15.168 5.626 ( -14.837 0.000 -7.224) 16.503 6.287 ( -0.371 0.000 3.360) 3.381 6.585 ( -0.810 0.000 0.947) 1.246 6.950 ( -4.811 0.000 3.488) 5.943 7.290 ( 0.731 0.000 -3.622) 3.695 7.365 ( -4.326 0.000 -2.394) 4.945 7.732 ( -6.770 0.000 3.205) 7.490 8.131 ( 15.777 0.000 4.150) 16.314 8.177 ( 8.982 0.000 6.108) 10.861 8.376 ( 6.197 0.000 -6.112) 8.704 8.512 ( -6.111 0.000 -1.524) 6.298 8.622 ( -9.596 0.000 -1.263) 9.679 8.897 ( -4.920 0.000 -8.427) 9.758 9.221 ( -0.978 0.000 -3.725) 3.852 9.435 ( 9.518 0.000 -4.407) 10.489 9.778 ( 1.806 0.000 9.237) 9.412 9.852 ( -2.156 0.000 -4.105) 4.636 10.034 ( 5.038 0.000 2.267) 5.524 10.353 ( 16.442 0.000 0.493) 16.450 10.462 ( 5.009 0.000 -0.034) 5.010 10.701 ( 1.581 0.000 0.951) 1.845 11.307 ( -6.742 0.000 -2.420) 7.163 11.810 ( -4.081 0.000 4.885) 6.365 11.917 ( -9.655 0.000 -10.579) 14.322 12.110 ( -7.525 0.000 1.423) 7.658 12.227 ( 7.205 0.000 -6.630) 9.791 12.552 ( 8.525 0.000 11.421) 14.252 13.152 ( -5.056 0.000 5.679) 7.604 13.585 ( -0.096 0.000 -4.318) 4.319 15.310 ( 8.439 0.000 13.947) 16.301 15.328 ( 3.481 0.000 -4.773) 5.907 15.809 ( 8.345 0.000 -8.074) 11.612 15.993 ( -5.467 0.000 12.571) 13.708 16.306 ( -1.658 0.000 -2.767) 3.225 16.387 ( -9.177 0.000 -1.526) 9.303 16.708 ( -5.670 0.000 6.713) 8.787 16.790 ( 0.689 0.000 -5.301) 5.345 17.178 ( 12.612 0.000 -10.429) 16.365 17.687 ( 19.289 0.000 8.209) 20.963 19.015 ( -8.024 0.000 -22.989) 24.349 19.556 ( -14.611 0.000 18.669) 23.707 ======================= Grid point 202 (90/170) ======================= q-point: ( 0.36 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 7.718 0.000 16.995) 18.665 1.582 ( -6.675 0.000 -0.267) 6.680 1.750 ( 7.608 0.000 -10.529) 12.990 2.056 ( 13.894 0.000 -10.197) 17.234 2.152 ( -6.506 0.000 -2.071) 6.827 2.631 ( 1.816 0.000 11.026) 11.175 2.806 ( 5.137 0.000 8.131) 9.618 2.817 ( -10.424 0.000 -1.403) 10.518 2.866 ( 2.748 0.000 -3.690) 4.601 2.992 ( -17.582 0.000 -6.411) 18.714 3.376 ( -3.676 0.000 4.245) 5.616 3.841 ( -3.556 0.000 3.592) 5.054 4.041 ( 8.262 0.000 -6.308) 10.395 4.219 ( -1.189 0.000 -6.145) 6.259 4.384 ( 1.917 0.000 1.961) 2.743 4.389 ( -2.430 0.000 -8.471) 8.813 4.872 ( 7.195 0.000 -8.101) 10.835 4.954 ( 1.148 0.000 0.791) 1.394 5.339 ( -9.838 0.000 -4.559) 10.843 5.491 ( -10.320 0.000 5.499) 11.694 6.359 ( 0.836 0.000 8.868) 8.907 6.601 ( -0.473 0.000 3.664) 3.694 6.884 ( -4.779 0.000 -0.115) 4.781 7.261 ( -1.785 0.000 -0.603) 1.884 7.305 ( -1.662 0.000 0.328) 1.694 7.649 ( -3.846 0.000 -2.709) 4.704 8.255 ( 4.020 0.000 -8.766) 9.644 8.335 ( -6.126 0.000 -2.921) 6.787 8.365 ( 3.085 0.000 4.467) 5.429 8.542 ( 11.728 0.000 8.396) 14.424 8.556 ( -2.546 0.000 4.184) 4.898 8.730 ( -4.732 0.000 -6.398) 7.958 9.179 ( -0.155 0.000 -3.068) 3.072 9.562 ( 7.654 0.000 -0.712) 7.688 9.829 ( 4.637 0.000 -3.319) 5.703 9.858 ( -1.242 0.000 4.469) 4.638 10.135 ( 3.226 0.000 3.337) 4.641 10.496 ( 5.870 0.000 -9.779) 11.406 10.536 ( 4.059 0.000 0.139) 4.062 10.862 ( 11.139 0.000 10.132) 15.058 11.185 ( -6.318 0.000 -1.083) 6.410 11.654 ( -7.517 0.000 -8.629) 11.444 11.766 ( -5.478 0.000 1.581) 5.702 11.991 ( -6.838 0.000 -1.111) 6.928 12.302 ( 8.520 0.000 -3.360) 9.159 12.730 ( 0.933 0.000 4.598) 4.692 13.168 ( -2.336 0.000 8.042) 8.375 13.532 ( -0.051 0.000 -4.213) 4.213 15.331 ( 2.390 0.000 -2.161) 3.222 15.578 ( 6.567 0.000 10.621) 12.487 15.936 ( 10.723 0.000 -0.537) 10.736 16.051 ( -4.746 0.000 12.822) 13.672 16.183 ( -12.472 0.000 -1.942) 12.622 16.276 ( 0.516 0.000 0.107) 0.527 16.678 ( -5.603 0.000 5.082) 7.565 16.750 ( 1.883 0.000 -5.298) 5.622 17.269 ( 13.332 0.000 -12.250) 18.105 17.974 ( 5.307 0.000 -1.930) 5.647 18.756 ( 5.787 0.000 -11.600) 12.963 19.459 ( -18.700 0.000 13.579) 23.110 ======================= Grid point 203 (91/170) ======================= q-point: ( 0.45 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -1.709 0.000 5.020) 5.303 1.780 ( -3.270 0.000 3.239) 4.602 1.891 ( 14.872 0.000 17.522) 22.983 2.019 ( 4.765 0.000 -10.650) 11.667 2.212 ( 15.881 0.000 -6.144) 17.028 2.555 ( -17.277 0.000 -6.968) 18.629 2.593 ( -12.053 0.000 -3.141) 12.456 2.710 ( -5.753 0.000 6.038) 8.339 2.939 ( 6.285 0.000 0.773) 6.332 3.022 ( 1.725 0.000 4.962) 5.253 3.457 ( 6.241 0.000 10.024) 11.808 3.803 ( -3.795 0.000 1.196) 3.979 4.056 ( -5.362 0.000 -11.597) 12.777 4.103 ( 5.627 0.000 -9.385) 10.942 4.230 ( -0.660 0.000 -8.220) 8.246 4.371 ( -5.237 0.000 -0.347) 5.248 4.886 ( -6.543 0.000 -3.564) 7.451 4.905 ( 7.195 0.000 -7.380) 10.307 5.271 ( 3.749 0.000 0.958) 3.870 5.388 ( -7.857 0.000 2.924) 8.383 6.516 ( 3.166 0.000 13.036) 13.415 6.643 ( 0.024 0.000 4.095) 4.095 6.816 ( -1.757 0.000 -1.332) 2.205 7.203 ( -4.098 0.000 -1.759) 4.460 7.302 ( -0.344 0.000 1.427) 1.468 7.539 ( -1.436 0.000 -8.167) 8.292 8.225 ( 3.157 0.000 -6.015) 6.793 8.233 ( -1.513 0.000 -2.404) 2.840 8.411 ( -2.278 0.000 2.671) 3.511 8.613 ( -1.316 0.000 -4.987) 5.158 8.615 ( -0.050 0.000 8.372) 8.372 8.821 ( 7.770 0.000 10.317) 12.916 9.150 ( 1.639 0.000 -3.235) 3.627 9.610 ( -0.716 0.000 -3.375) 3.450 9.857 ( -2.755 0.000 2.077) 3.450 9.903 ( 6.138 0.000 -1.354) 6.286 10.215 ( 1.421 0.000 4.051) 4.293 10.437 ( 0.301 0.000 -6.842) 6.848 10.611 ( 3.833 0.000 2.197) 4.418 11.013 ( -9.592 0.000 -4.630) 10.651 11.192 ( 11.497 0.000 9.488) 14.907 11.547 ( 3.139 0.000 -2.055) 3.752 11.663 ( -6.513 0.000 -2.157) 6.861 11.862 ( -5.310 0.000 -4.062) 6.685 12.430 ( 8.583 0.000 0.518) 8.599 12.682 ( -8.030 0.000 -1.205) 8.120 13.240 ( -0.414 0.000 8.063) 8.074 13.499 ( 1.161 0.000 -3.579) 3.762 15.382 ( 4.083 0.000 2.106) 4.594 15.719 ( -2.722 0.000 3.675) 4.573 15.962 ( -9.110 0.000 0.729) 9.140 16.074 ( 5.481 0.000 -0.739) 5.531 16.136 ( -2.943 0.000 12.514) 12.855 16.349 ( 4.771 0.000 3.964) 6.203 16.657 ( -3.328 0.000 6.099) 6.948 16.734 ( 2.499 0.000 -4.395) 5.056 17.340 ( 13.166 0.000 -13.956) 19.187 17.794 ( -9.735 0.000 -15.024) 17.902 18.970 ( 20.469 0.000 2.388) 20.608 19.247 ( -21.647 0.000 8.626) 23.303 ======================= Grid point 204 (92/170) ======================= q-point: (-0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -1.475 0.000 8.518) 8.645 1.671 ( -6.819 0.000 -0.135) 6.821 2.125 ( -2.733 0.000 -4.563) 5.319 2.164 ( -3.703 0.000 -4.350) 5.713 2.177 ( 8.201 0.000 -9.108) 12.256 2.425 ( 9.727 0.000 1.442) 9.833 2.507 ( 4.773 0.000 12.586) 13.461 2.726 ( -0.639 0.000 3.207) 3.270 2.988 ( -5.605 0.000 -1.198) 5.732 3.061 ( 6.324 0.000 1.096) 6.418 3.717 ( 7.072 0.000 7.042) 9.980 3.730 ( -9.537 0.000 0.966) 9.586 3.864 ( 1.330 0.000 -8.542) 8.645 3.944 ( 0.227 0.000 -11.804) 11.806 4.212 ( -10.313 0.000 -3.061) 10.758 4.300 ( 6.809 0.000 1.525) 6.978 4.730 ( -8.039 0.000 -1.297) 8.143 4.938 ( 5.406 0.000 -5.718) 7.869 5.303 ( -3.925 0.000 0.248) 3.933 5.414 ( 10.666 0.000 1.187) 10.732 6.691 ( 1.117 0.000 3.200) 3.390 6.716 ( 2.365 0.000 7.373) 7.743 6.840 ( 4.701 0.000 7.698) 9.020 7.074 ( -4.214 0.000 -8.730) 9.694 7.317 ( 0.807 0.000 0.362) 0.885 7.452 ( 1.028 0.000 -5.902) 5.991 8.188 ( -2.217 0.000 -2.749) 3.532 8.216 ( 1.508 0.000 -2.537) 2.952 8.412 ( -0.744 0.000 3.952) 4.022 8.568 ( 1.475 0.000 -4.463) 4.700 8.713 ( 0.312 0.000 9.065) 9.071 8.964 ( 2.738 0.000 -2.456) 3.678 9.215 ( 3.374 0.000 8.162) 8.832 9.454 ( -8.453 0.000 -9.982) 13.080 9.808 ( -6.038 0.000 1.820) 6.306 9.968 ( 3.195 0.000 -1.701) 3.620 10.273 ( 0.200 0.000 3.866) 3.871 10.373 ( -1.496 0.000 -3.211) 3.542 10.718 ( 2.801 0.000 6.686) 7.249 10.772 ( -10.793 0.000 -5.173) 11.968 11.469 ( 10.100 0.000 8.531) 13.221 11.508 ( -6.587 0.000 -5.957) 8.881 11.674 ( 10.481 0.000 0.998) 10.529 11.722 ( -3.847 0.000 -6.876) 7.879 12.487 ( -11.787 0.000 -1.927) 11.944 12.586 ( 7.264 0.000 3.143) 7.915 13.319 ( -0.103 0.000 6.104) 6.105 13.480 ( 1.524 0.000 -3.995) 4.276 15.509 ( 5.012 0.000 6.183) 7.959 15.542 ( -14.015 0.000 -2.487) 14.234 15.927 ( -4.789 0.000 6.663) 8.205 16.125 ( 4.037 0.000 -2.999) 5.029 16.237 ( 0.660 0.000 8.091) 8.118 16.442 ( 1.710 0.000 2.191) 2.780 16.722 ( 1.216 0.000 -3.726) 3.920 16.731 ( 2.208 0.000 6.887) 7.233 17.415 ( 13.092 0.000 -10.177) 16.583 17.447 ( -9.935 0.000 -14.366) 17.467 18.941 ( -23.749 0.000 4.363) 24.146 19.368 ( 21.994 0.000 3.383) 22.253 ======================= Grid point 205 (93/170) ======================= q-point: (-0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -19.215 0.000 -0.346) 19.218 1.570 ( -9.862 0.000 -1.030) 9.916 1.817 ( -6.186 0.000 -3.695) 7.205 2.240 ( 9.104 0.000 -7.384) 11.722 2.301 ( 8.400 0.000 -6.715) 10.754 2.569 ( 1.115 0.000 8.645) 8.717 2.751 ( 1.106 0.000 -0.765) 1.345 2.789 ( 12.833 0.000 7.039) 14.637 2.868 ( -5.141 0.000 -0.439) 5.160 3.144 ( 3.169 0.000 -2.520) 4.048 3.562 ( -5.195 0.000 -2.987) 5.993 3.690 ( -1.583 0.000 -4.265) 4.549 3.927 ( 6.058 0.000 1.892) 6.347 4.027 ( -6.362 0.000 0.147) 6.363 4.067 ( 10.039 0.000 4.492) 10.998 4.403 ( 1.215 0.000 3.026) 3.261 4.598 ( -8.289 0.000 2.081) 8.546 4.953 ( 2.139 0.000 -2.639) 3.397 5.295 ( 4.575 0.000 -1.290) 4.753 5.634 ( 15.263 0.000 -0.561) 15.274 6.750 ( 1.023 0.000 -1.592) 1.892 6.766 ( 3.904 0.000 3.081) 4.973 6.892 ( -2.239 0.000 -12.691) 12.887 7.127 ( 7.200 0.000 18.995) 20.314 7.334 ( 3.320 0.000 -2.938) 4.433 7.430 ( 2.301 0.000 -3.896) 4.524 8.087 ( -5.753 0.000 -2.118) 6.131 8.232 ( 2.434 0.000 0.264) 2.449 8.468 ( 0.174 0.000 5.206) 5.209 8.532 ( -0.956 0.000 -3.520) 3.648 8.848 ( 4.431 0.000 7.866) 9.028 8.910 ( -0.133 0.000 -9.321) 9.322 9.134 ( -13.646 0.000 -12.673) 18.623 9.336 ( -3.803 0.000 8.880) 9.660 9.699 ( -9.111 0.000 1.806) 9.288 9.980 ( 1.687 0.000 -1.769) 2.444 10.304 ( -0.770 0.000 2.214) 2.345 10.306 ( -3.061 0.000 -2.099) 3.711 10.573 ( -7.240 0.000 -3.142) 7.892 10.831 ( -2.100 0.000 10.527) 10.734 11.329 ( -4.123 0.000 -8.076) 9.068 11.610 ( 0.054 0.000 -5.782) 5.783 11.733 ( 11.014 0.000 7.240) 13.181 11.860 ( 10.230 0.000 0.122) 10.230 12.278 ( -11.053 0.000 -1.046) 11.102 12.727 ( 4.416 0.000 3.870) 5.871 13.367 ( -0.937 0.000 4.104) 4.210 13.462 ( 2.540 0.000 -4.837) 5.464 15.288 ( -14.541 0.000 0.754) 14.561 15.652 ( 2.772 0.000 5.809) 6.436 15.879 ( -8.979 0.000 4.143) 9.889 16.172 ( 6.580 0.000 -3.016) 7.238 16.306 ( -0.184 0.000 1.768) 1.778 16.483 ( 0.356 0.000 2.933) 2.954 16.688 ( -0.281 0.000 -2.079) 2.098 16.810 ( 4.666 0.000 -4.592) 6.547 17.201 ( -3.689 0.000 -7.871) 8.692 17.574 ( 11.623 0.000 1.959) 11.787 18.566 ( -25.221 0.000 1.880) 25.290 19.749 ( 20.665 0.000 0.715) 20.677 ======================= Grid point 206 (94/170) ======================= q-point: (-0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -21.966 0.000 4.246) 22.373 1.295 ( -22.488 0.000 7.362) 23.662 1.853 ( 13.624 0.000 -11.022) 17.524 2.083 ( -21.962 0.000 1.796) 22.035 2.256 ( 2.759 0.000 -14.731) 14.987 2.706 ( -2.686 0.000 0.840) 2.815 2.755 ( 9.993 0.000 5.088) 11.214 2.897 ( 3.845 0.000 2.808) 4.761 3.041 ( -0.196 0.000 -8.732) 8.734 3.112 ( 11.759 0.000 1.975) 11.924 3.530 ( 3.479 0.000 -1.403) 3.751 3.700 ( 1.244 0.000 5.917) 6.046 3.922 ( 1.183 0.000 -2.039) 2.357 4.154 ( 5.146 0.000 9.621) 10.911 4.249 ( 7.172 0.000 1.874) 7.413 4.382 ( -5.570 0.000 -0.115) 5.571 4.510 ( -7.274 0.000 5.537) 9.141 4.958 ( 0.298 0.000 -0.192) 0.355 5.441 ( 13.749 0.000 0.045) 13.749 5.900 ( 19.523 0.000 -3.946) 19.918 6.713 ( -0.273 0.000 -12.828) 12.830 6.733 ( 0.413 0.000 -3.478) 3.502 6.919 ( 8.247 0.000 3.625) 9.009 7.287 ( -2.179 0.000 0.617) 2.265 7.427 ( 2.796 0.000 -4.371) 5.189 7.514 ( 11.018 0.000 13.256) 17.237 7.984 ( -4.546 0.000 0.171) 4.550 8.320 ( 4.987 0.000 4.857) 6.961 8.451 ( -4.347 0.000 -2.999) 5.281 8.515 ( -2.927 0.000 7.239) 7.809 8.704 ( -15.843 0.000 -14.280) 21.329 8.756 ( -5.604 0.000 -9.527) 11.053 9.045 ( 4.550 0.000 6.111) 7.619 9.244 ( -13.671 0.000 2.825) 13.960 9.592 ( -5.570 0.000 4.574) 7.208 10.009 ( 3.114 0.000 -1.085) 3.297 10.223 ( -3.152 0.000 -3.678) 4.844 10.288 ( -2.399 0.000 -0.894) 2.560 10.456 ( -4.727 0.000 -0.640) 4.770 10.832 ( -8.864 0.000 5.073) 10.213 11.252 ( 2.618 0.000 -2.444) 3.582 11.606 ( 3.077 0.000 -0.688) 3.153 11.979 ( 11.746 0.000 0.296) 11.750 12.011 ( 7.539 0.000 2.488) 7.939 12.098 ( -8.759 0.000 -1.340) 8.861 12.796 ( 0.013 0.000 0.984) 0.984 13.387 ( -1.767 0.000 3.895) 4.277 13.463 ( 4.957 0.000 -5.958) 7.751 15.086 ( -14.706 0.000 6.112) 15.925 15.699 ( -0.179 0.000 -1.360) 1.372 15.716 ( -12.156 0.000 -0.435) 12.164 16.276 ( -1.696 0.000 -1.679) 2.386 16.290 ( 8.830 0.000 0.386) 8.838 16.523 ( -0.716 0.000 4.654) 4.708 16.711 ( 2.401 0.000 2.310) 3.332 16.787 ( 6.717 0.000 -15.353) 16.758 17.131 ( 1.282 0.000 -3.241) 3.486 17.793 ( 4.488 0.000 4.594) 6.422 18.195 ( -20.931 0.000 8.667) 22.654 20.053 ( 17.423 0.000 -3.677) 17.807 ======================= Grid point 207 (95/170) ======================= q-point: (-0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -14.513 0.000 22.698) 26.941 1.062 ( -20.684 0.000 16.314) 26.343 1.685 ( -32.984 0.000 12.588) 35.305 1.901 ( 10.455 0.000 -17.489) 20.375 2.160 ( 6.166 0.000 -11.940) 13.438 2.752 ( 3.802 0.000 4.967) 6.255 2.781 ( -4.505 0.000 -16.870) 17.461 2.973 ( 8.303 0.000 0.857) 8.347 2.987 ( 1.748 0.000 4.114) 4.470 3.373 ( 11.254 0.000 3.218) 11.705 3.591 ( 4.628 0.000 -2.173) 5.112 3.826 ( 2.368 0.000 9.293) 9.590 3.957 ( 3.844 0.000 -0.644) 3.897 4.248 ( -6.878 0.000 -3.038) 7.519 4.301 ( 1.020 0.000 6.825) 6.901 4.346 ( 3.395 0.000 -0.556) 3.440 4.482 ( -5.436 0.000 7.866) 9.561 4.946 ( -0.889 0.000 -1.435) 1.688 5.722 ( 17.284 0.000 1.797) 17.378 6.181 ( 21.990 0.000 -8.077) 23.426 6.586 ( 2.174 0.000 -12.605) 12.791 6.692 ( 0.101 0.000 -4.120) 4.121 7.095 ( 7.547 0.000 1.262) 7.651 7.222 ( -2.915 0.000 -2.872) 4.092 7.443 ( 5.480 0.000 -3.034) 6.264 7.790 ( -0.151 0.000 11.958) 11.959 7.938 ( -0.631 0.000 -0.590) 0.864 8.270 ( -9.667 0.000 -8.327) 12.759 8.294 ( -12.275 0.000 -9.851) 15.739 8.506 ( -0.621 0.000 0.386) 0.731 8.565 ( -4.057 0.000 11.792) 12.470 8.583 ( -2.134 0.000 12.623) 12.802 9.040 ( -10.281 0.000 1.228) 10.354 9.108 ( -1.294 0.000 2.100) 2.467 9.672 ( 3.990 0.000 8.196) 9.116 10.022 ( 1.364 0.000 -4.211) 4.427 10.123 ( -1.971 0.000 -4.721) 5.116 10.196 ( -4.690 0.000 -5.050) 6.892 10.385 ( -3.913 0.000 -0.136) 3.915 10.700 ( -8.018 0.000 -0.394) 8.028 11.324 ( 5.124 0.000 3.360) 6.127 11.653 ( -2.613 0.000 7.158) 7.620 12.004 ( -1.137 0.000 1.798) 2.128 12.085 ( 7.115 0.000 -5.554) 9.026 12.193 ( 7.356 0.000 3.079) 7.975 12.742 ( -2.986 0.000 -5.398) 6.169 13.398 ( -3.234 0.000 5.117) 6.053 13.491 ( 7.556 0.000 -7.644) 10.749 14.912 ( -17.826 0.000 9.763) 20.324 15.540 ( -6.519 0.000 0.475) 6.536 15.634 ( 0.173 0.000 -9.325) 9.326 16.251 ( -0.475 0.000 0.783) 0.916 16.429 ( 5.276 0.000 1.160) 5.402 16.572 ( -0.451 0.000 6.370) 6.386 16.713 ( 8.426 0.000 -19.211) 20.977 16.774 ( 1.645 0.000 1.815) 2.450 17.112 ( 1.412 0.000 -6.291) 6.447 17.570 ( -19.879 0.000 -7.763) 21.341 18.317 ( 2.782 0.000 26.377) 26.523 20.232 ( 12.387 0.000 -8.962) 15.289 ======================= Grid point 208 (96/170) ======================= q-point: (-0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -14.046 0.000 23.758) 27.600 1.070 ( -14.850 0.000 24.337) 28.510 1.411 ( -18.190 0.000 28.771) 34.039 1.851 ( 10.051 0.000 -18.851) 21.363 2.216 ( 11.157 0.000 -4.823) 12.155 2.507 ( -2.267 0.000 -20.082) 20.210 2.887 ( 3.020 0.000 6.751) 7.396 3.036 ( -1.838 0.000 4.244) 4.625 3.102 ( 6.234 0.000 0.043) 6.234 3.533 ( 3.698 0.000 0.021) 3.698 3.606 ( 2.390 0.000 -2.975) 3.816 3.939 ( 0.967 0.000 3.179) 3.323 4.018 ( 3.050 0.000 0.328) 3.067 4.143 ( -2.442 0.000 1.374) 2.802 4.346 ( -3.172 0.000 5.017) 5.936 4.352 ( 0.178 0.000 -3.337) 3.342 4.494 ( -4.330 0.000 8.701) 9.719 4.902 ( -0.565 0.000 -3.560) 3.604 5.987 ( 11.049 0.000 0.322) 11.053 6.384 ( 11.487 0.000 -13.472) 17.705 6.558 ( 14.135 0.000 -8.543) 16.516 6.659 ( 0.846 0.000 -2.585) 2.720 7.147 ( 0.619 0.000 -3.511) 3.565 7.155 ( -2.721 0.000 -0.347) 2.743 7.551 ( 8.922 0.000 -2.795) 9.350 7.599 ( -17.781 0.000 -5.578) 18.635 7.966 ( -12.222 0.000 -7.378) 14.276 7.971 ( 1.177 0.000 -1.320) 1.768 8.205 ( 2.615 0.000 3.312) 4.220 8.370 ( -13.092 0.000 7.065) 14.877 8.691 ( -0.117 0.000 17.492) 17.492 8.918 ( 12.951 0.000 15.586) 20.264 9.000 ( 0.108 0.000 6.881) 6.882 9.128 ( 0.148 0.000 4.920) 4.922 9.716 ( -6.869 0.000 -0.696) 6.904 9.959 ( -0.081 0.000 -8.803) 8.803 10.042 ( -4.799 0.000 -7.097) 8.567 10.157 ( 8.713 0.000 2.664) 9.111 10.301 ( -4.970 0.000 -2.339) 5.493 10.584 ( -6.054 0.000 0.238) 6.058 11.449 ( 3.968 0.000 1.141) 4.129 11.700 ( -3.735 0.000 13.656) 14.158 12.082 ( 3.385 0.000 5.742) 6.665 12.090 ( 1.699 0.000 -8.144) 8.319 12.288 ( 2.519 0.000 -1.146) 2.767 12.621 ( 0.394 0.000 -9.938) 9.946 13.383 ( -5.896 0.000 5.550) 8.097 13.549 ( 9.557 0.000 -7.769) 12.317 14.727 ( -17.573 0.000 11.917) 21.233 15.514 ( 2.540 0.000 -15.292) 15.502 15.544 ( 1.282 0.000 6.903) 7.021 16.276 ( 0.800 0.000 3.090) 3.192 16.467 ( 0.282 0.000 -2.915) 2.929 16.594 ( 1.937 0.000 -6.990) 7.253 16.694 ( 4.950 0.000 -3.394) 6.002 16.814 ( 0.109 0.000 2.909) 2.911 17.060 ( 1.929 0.000 -6.757) 7.027 17.166 ( -16.656 0.000 -6.154) 17.757 18.692 ( 3.502 0.000 29.082) 29.292 20.256 ( 6.136 0.000 -14.332) 15.591 ======================= Grid point 209 (97/170) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -9.522 6.998 17.887) 21.438 1.291 ( -1.742 8.842 20.910) 22.769 1.761 ( 4.977 3.177 -9.340) 11.049 1.985 ( 5.628 11.089 1.280) 12.501 2.225 ( 2.877 3.923 1.351) 5.049 2.549 ( 8.209 9.849 -4.886) 13.721 2.922 ( -1.439 -5.177 5.481) 7.675 3.044 ( -4.802 1.821 3.958) 6.484 3.136 ( 2.951 -3.124 -2.768) 5.112 3.371 ( -4.195 -6.013 -10.291) 12.635 3.612 ( 1.572 -5.689 6.050) 8.453 3.909 ( -2.084 -3.590 -4.567) 6.171 4.069 ( -0.163 3.045 0.110) 3.051 4.163 ( -1.094 1.711 -0.193) 2.040 4.279 ( -2.027 -1.127 7.053) 7.425 4.368 ( -2.361 0.148 0.792) 2.495 4.546 ( -0.998 1.046 7.169) 7.313 4.798 ( 0.552 -5.145 -4.087) 6.593 6.034 ( -0.011 -2.873 -1.838) 3.411 6.273 ( 1.399 -5.162 -11.445) 12.633 6.590 ( 0.063 -4.236 0.922) 4.336 6.735 ( 2.933 -2.612 -5.809) 7.012 7.017 ( 9.735 -3.724 -1.784) 10.574 7.108 ( -10.670 -0.725 -4.579) 11.634 7.443 ( -1.354 6.383 -2.989) 7.177 7.586 ( 0.840 3.161 -8.282) 8.904 7.800 ( 2.773 -4.763 2.622) 6.104 7.884 ( -1.085 -5.090 -1.674) 5.467 8.182 ( -8.907 -5.292 5.440) 11.701 8.223 ( 6.510 -8.428 3.257) 11.136 8.936 ( 2.022 0.297 16.096) 16.226 9.123 ( 2.906 -3.648 10.323) 11.327 9.227 ( 2.433 6.566 5.281) 8.770 9.412 ( 7.789 4.785 6.987) 11.505 9.553 ( -9.988 2.878 -4.889) 11.487 9.827 ( -2.317 -4.211 -10.473) 11.523 9.866 ( 2.177 2.236 -0.918) 3.253 10.265 ( -3.890 6.004 -6.839) 9.897 10.421 ( 4.662 4.953 5.104) 8.504 10.542 ( -2.789 3.756 -0.010) 4.679 11.483 ( -0.408 -0.549 3.982) 4.040 11.777 ( 1.240 -5.151 4.369) 6.867 11.918 ( -1.205 -2.442 -1.118) 2.943 12.149 ( -1.785 -3.801 2.472) 4.873 12.347 ( 1.682 5.707 -2.342) 6.394 12.596 ( 0.292 5.624 -10.353) 11.785 13.362 ( -5.537 2.531 5.128) 7.960 13.601 ( 5.931 -1.076 -5.855) 8.403 14.679 ( -7.881 3.495 14.098) 16.525 15.377 ( 4.704 -1.386 -15.166) 15.940 15.691 ( 2.627 -0.111 8.327) 8.733 16.252 ( 1.587 -8.680 -2.881) 9.282 16.360 ( -0.745 -0.576 -9.269) 9.316 16.488 ( -3.040 -3.230 -0.014) 4.436 16.558 ( -2.869 -4.683 3.669) 6.605 16.886 ( 3.984 -4.346 -7.472) 9.518 17.149 ( -0.016 16.808 -0.019) 16.808 17.196 ( -0.416 14.168 -1.787) 14.286 19.000 ( 0.745 -5.269 28.249) 28.746 20.022 ( -0.469 -8.572 -18.550) 20.440 ======================= Grid point 210 (98/170) ======================= q-point: ( 0.09 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 1.474 9.082 14.498) 17.171 1.529 ( 2.589 8.693 18.850) 20.918 1.746 ( 11.083 -5.702 -16.430) 20.622 2.029 ( 8.902 3.109 -13.097) 16.138 2.268 ( -6.361 9.593 3.943) 12.167 2.587 ( 2.831 14.444 -7.928) 16.718 2.924 ( -5.523 -5.618 4.656) 9.151 3.048 ( -2.235 -3.735 9.702) 10.634 3.134 ( -0.074 -0.761 -0.498) 0.913 3.207 ( -2.352 -4.929 -7.066) 8.931 3.704 ( -0.805 -4.306 7.792) 8.939 3.790 ( -3.533 -6.876 -6.499) 10.100 4.046 ( -4.082 3.073 1.150) 5.237 4.085 ( -3.862 4.070 -1.044) 5.707 4.320 ( -1.958 1.096 4.084) 4.660 4.392 ( 1.922 -0.914 3.864) 4.411 4.623 ( 0.957 0.037 6.209) 6.283 4.776 ( 2.637 -5.285 -4.505) 7.428 5.950 ( -9.023 -1.947 1.250) 9.315 6.132 ( -4.967 -5.634 -8.728) 11.514 6.523 ( -6.769 4.248 -3.183) 8.602 6.630 ( -5.245 -6.188 -2.473) 8.480 6.949 ( -2.507 -5.301 -1.743) 6.118 7.251 ( 13.678 -2.909 1.629) 14.078 7.369 ( -2.868 1.345 -2.055) 3.776 7.637 ( 10.556 7.918 -2.915) 13.514 7.836 ( -0.637 -4.184 -0.619) 4.277 7.904 ( 3.601 -3.503 -0.408) 5.040 8.100 ( -4.043 -7.129 2.448) 8.554 8.373 ( 6.518 -8.728 2.200) 11.113 9.089 ( -2.701 0.746 6.935) 7.480 9.182 ( -3.509 0.680 0.391) 3.596 9.378 ( 4.079 0.447 7.945) 8.942 9.407 ( -2.142 4.789 3.341) 6.220 9.454 ( 0.511 1.233 -8.343) 8.449 9.755 ( 6.167 -5.168 -5.475) 9.732 9.996 ( 2.372 6.451 10.129) 12.241 10.099 ( -2.969 6.097 -8.487) 10.864 10.459 ( -1.175 5.171 -0.381) 5.317 10.596 ( 5.910 2.914 2.039) 6.897 11.559 ( 0.329 -5.261 7.675) 9.311 11.683 ( -3.137 -1.422 -9.097) 9.727 12.008 ( 0.989 -0.501 9.475) 9.540 12.105 ( -4.454 -7.843 -0.478) 9.032 12.360 ( 2.367 8.452 -0.441) 8.788 12.492 ( 0.230 6.453 -8.442) 10.628 13.314 ( -6.367 4.074 4.035) 8.568 13.609 ( 2.358 -2.175 -4.459) 5.493 14.800 ( 1.663 4.241 15.497) 16.152 15.307 ( 7.626 -0.806 -14.411) 16.324 15.815 ( -1.824 -3.147 9.601) 10.267 16.052 ( -3.497 -3.165 -15.267) 15.978 16.399 ( -1.537 -4.185 -0.094) 4.459 16.428 ( -0.537 -5.668 3.321) 6.592 16.637 ( 5.309 0.333 5.563) 7.696 16.921 ( 10.312 -4.876 -8.377) 14.153 17.147 ( -1.174 18.516 1.396) 18.606 17.171 ( 0.026 10.178 -1.363) 10.269 19.282 ( -3.997 -6.050 26.270) 27.252 19.738 ( -5.971 -8.092 -21.995) 24.185 ======================= Grid point 211 (99/170) ======================= q-point: ( 0.18 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 4.670 9.897 9.234) 14.319 1.709 ( 7.146 -3.170 -5.859) 9.769 1.805 ( 10.347 -1.759 -4.680) 11.491 2.028 ( -2.738 1.613 -7.882) 8.498 2.090 ( -3.332 8.362 1.250) 9.087 2.513 ( 1.065 16.200 -8.310) 18.238 2.852 ( -8.126 -5.175 3.700) 10.320 3.055 ( -2.888 -5.675 -7.759) 10.037 3.101 ( -3.734 -1.059 2.076) 4.402 3.211 ( -1.111 -1.878 10.160) 10.391 3.603 ( -6.780 -6.001 -7.313) 11.639 3.789 ( -2.832 -1.640 6.600) 7.367 3.977 ( -0.834 -0.519 -0.868) 1.311 4.088 ( 0.392 2.093 4.477) 4.957 4.347 ( 0.502 4.451 3.339) 5.587 4.453 ( 1.802 -1.615 0.452) 2.462 4.707 ( 1.751 -3.733 4.477) 6.087 4.784 ( 4.308 -4.550 -4.309) 7.605 5.783 ( -14.206 -1.378 4.644) 15.010 5.913 ( -10.732 -3.689 -6.861) 13.261 6.363 ( -5.151 4.056 -2.881) 7.161 6.584 ( -0.557 -2.049 0.392) 2.160 6.936 ( -0.884 -4.168 2.659) 5.022 7.288 ( -0.946 -1.866 -3.906) 4.431 7.422 ( 2.437 -3.961 -0.013) 4.650 7.772 ( -4.330 2.208 6.667) 8.251 7.824 ( 4.667 -2.949 -1.036) 5.617 7.983 ( 9.922 -4.603 -0.536) 10.951 8.129 ( 6.420 -6.427 -1.670) 9.237 8.461 ( 2.153 -7.618 0.042) 7.916 9.009 ( -7.615 8.249 0.272) 11.230 9.088 ( -3.645 1.588 -6.214) 7.377 9.320 ( -1.459 1.577 -9.040) 9.291 9.423 ( 4.149 3.351 -3.052) 6.145 9.601 ( 3.833 0.356 12.366) 12.951 9.871 ( 8.290 -3.171 0.081) 8.876 10.028 ( -3.604 4.629 0.184) 5.869 10.062 ( 5.278 0.694 -0.269) 5.330 10.511 ( 5.925 9.115 2.142) 11.081 10.691 ( 3.880 2.246 -0.235) 4.489 11.481 ( -6.704 0.485 -5.496) 8.682 11.686 ( 0.396 -7.259 5.984) 9.416 11.949 ( -6.788 -12.018 -3.866) 14.333 12.134 ( -0.736 -1.071 4.454) 4.640 12.405 ( 1.416 10.824 -4.981) 11.999 12.468 ( 6.145 11.562 4.373) 13.804 13.245 ( -6.713 3.918 3.379) 8.476 13.590 ( 0.678 -2.885 -3.213) 4.371 15.042 ( 6.453 2.860 13.170) 14.942 15.312 ( 8.047 0.416 -7.789) 11.207 15.797 ( -2.487 -5.243 -3.628) 6.844 15.926 ( -1.913 -1.511 0.512) 2.491 16.349 ( -0.417 -1.751 -2.535) 3.109 16.455 ( -4.199 -5.459 5.572) 8.858 16.744 ( 1.388 8.319 -0.746) 8.467 17.029 ( 11.266 -2.942 -7.654) 13.934 17.127 ( -2.610 15.667 -0.271) 15.885 17.266 ( 12.403 0.773 5.897) 13.756 19.348 ( -9.363 -7.839 -23.278) 26.286 19.447 ( -9.330 -6.704 22.293) 25.079 ======================= Grid point 212 (100/170) ======================= q-point: ( 0.27 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 0.934 9.738 7.736) 12.472 1.708 ( 2.083 -0.461 -8.606) 8.867 1.805 ( 1.200 1.369 -11.347) 11.492 1.873 ( 4.118 -3.712 -5.248) 7.634 2.312 ( 9.178 2.762 14.702) 17.550 2.455 ( -0.118 15.105 -4.238) 15.688 2.753 ( -7.788 -4.604 3.232) 9.607 2.907 ( -2.457 -3.882 -7.029) 8.397 3.014 ( -7.753 2.756 0.700) 8.258 3.260 ( -6.191 -4.171 4.430) 8.681 3.381 ( -8.429 -3.433 -5.603) 10.688 3.776 ( -4.920 -4.610 4.046) 7.863 4.021 ( 5.513 1.166 -1.210) 5.764 4.156 ( 3.118 -4.033 1.207) 5.239 4.388 ( 1.705 4.722 -1.359) 5.201 4.457 ( 0.493 -0.604 -2.758) 2.866 4.779 ( 4.201 -6.045 -0.707) 7.396 4.822 ( 2.998 -5.020 0.107) 5.848 5.608 ( -12.836 -0.958 3.261) 13.278 5.644 ( -12.532 0.369 -3.534) 13.026 6.307 ( -1.467 1.360 1.921) 2.773 6.597 ( -0.029 0.969 2.486) 2.668 6.948 ( -2.717 -0.799 3.300) 4.348 7.243 ( 0.146 -2.792 -2.192) 3.553 7.396 ( -1.460 0.049 -2.565) 2.952 7.675 ( -9.242 -4.657 2.432) 10.631 7.962 ( 5.421 -9.060 5.219) 11.778 8.048 ( 1.959 -17.118 -5.746) 18.163 8.325 ( 10.914 3.394 1.931) 11.592 8.469 ( 1.854 -1.046 1.320) 2.505 8.880 ( -5.884 12.685 -2.616) 14.226 8.953 ( -2.032 3.215 -8.042) 8.896 9.210 ( -2.230 1.441 -6.044) 6.601 9.488 ( 7.773 3.146 -1.686) 8.553 9.766 ( 1.990 0.774 6.441) 6.786 9.962 ( 1.648 6.897 -1.174) 7.188 9.990 ( 3.154 -3.520 2.766) 5.476 10.254 ( 12.791 -3.636 1.946) 13.439 10.643 ( 6.654 10.279 -0.377) 12.250 10.726 ( 1.830 2.037 0.488) 2.782 11.313 ( -7.669 0.057 -2.821) 8.172 11.728 ( -1.808 -7.308 3.549) 8.323 11.777 ( -7.482 -9.141 -5.135) 12.880 12.114 ( -4.473 0.773 0.912) 4.631 12.381 ( 4.015 11.499 -5.479) 13.355 12.674 ( 7.301 9.467 7.364) 14.041 13.185 ( -5.177 2.716 4.464) 7.356 13.558 ( -0.349 -2.488 -3.220) 4.084 15.218 ( 4.505 -3.452 -0.621) 5.709 15.440 ( 7.607 5.408 8.684) 12.749 15.779 ( 4.266 -3.729 -1.339) 5.822 15.926 ( -1.464 -2.567 4.571) 5.443 16.336 ( 0.299 1.539 0.377) 1.613 16.396 ( -8.115 -0.522 1.352) 8.243 16.708 ( -1.960 6.304 -1.657) 6.807 17.044 ( -3.723 16.847 -2.004) 17.370 17.128 ( 11.335 -4.088 -9.872) 15.577 17.640 ( 18.446 -4.292 8.962) 20.952 18.927 ( -8.899 -8.118 -22.643) 25.648 19.477 ( -14.400 -7.290 17.952) 24.141 ======================= Grid point 213 (101/170) ======================= q-point: ( 0.36 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 8.037 6.142 6.750) 12.161 1.599 ( -7.731 2.892 7.404) 11.089 1.789 ( 6.814 3.350 -7.797) 10.883 1.893 ( 7.037 -6.520 -7.586) 12.230 2.386 ( -2.481 12.921 -3.986) 13.747 2.597 ( 3.824 -2.887 10.590) 11.624 2.707 ( -3.128 -3.307 4.664) 6.517 2.797 ( -3.991 -3.232 -3.940) 6.473 2.958 ( -1.430 5.963 2.488) 6.617 3.032 ( -11.210 2.390 -4.681) 12.381 3.307 ( -3.342 -5.902 3.650) 7.702 3.741 ( -3.865 -7.931 2.814) 9.260 4.072 ( 5.871 0.853 -7.263) 9.378 4.197 ( 1.715 -2.920 -3.048) 4.556 4.340 ( -1.011 -1.971 -7.418) 7.741 4.419 ( -0.355 1.870 -4.605) 4.983 4.820 ( 4.282 -4.927 -4.729) 8.060 4.872 ( 0.853 -7.283 1.866) 7.567 5.389 ( -8.326 2.758 -3.834) 9.572 5.499 ( -9.578 0.551 4.894) 10.770 6.346 ( 0.626 -1.069 6.291) 6.412 6.636 ( 0.057 2.664 4.124) 4.910 6.904 ( -4.482 1.489 0.322) 4.734 7.250 ( 1.466 -0.435 0.484) 1.604 7.357 ( -1.287 2.612 -0.191) 2.919 7.531 ( -7.595 -9.628 -3.388) 12.723 8.002 ( 1.803 -12.173 -4.970) 13.272 8.093 ( 1.733 -16.382 6.102) 17.568 8.351 ( -0.942 -7.562 -1.722) 7.813 8.594 ( 1.709 11.238 -0.043) 11.368 8.833 ( 0.807 7.974 -3.940) 8.931 8.882 ( 4.919 12.727 3.127) 13.998 9.094 ( -3.057 -4.052 -6.442) 8.201 9.617 ( 5.595 2.544 2.272) 6.553 9.830 ( 3.085 3.397 0.662) 4.636 10.009 ( 1.745 8.960 2.637) 9.502 10.099 ( 4.475 -3.027 3.745) 6.574 10.442 ( 8.434 -2.314 -2.258) 9.032 10.639 ( 0.256 6.203 -5.695) 8.425 10.875 ( 9.062 0.853 7.085) 11.534 11.163 ( -7.710 -2.169 -1.752) 8.199 11.591 ( -6.342 -6.144 -5.344) 10.322 11.722 ( -2.590 -3.081 1.339) 4.242 12.026 ( -5.775 2.948 -0.665) 6.518 12.424 ( 6.695 10.484 -2.829) 12.757 12.810 ( 1.561 6.699 2.425) 7.294 13.184 ( -2.228 1.239 6.081) 6.594 13.507 ( -0.952 -2.150 -3.588) 4.290 15.256 ( 4.079 -3.761 -1.893) 5.862 15.680 ( 4.875 5.532 12.697) 14.683 15.854 ( 0.419 -7.396 5.126) 9.009 16.015 ( 7.012 2.457 2.983) 8.007 16.218 ( -11.889 2.260 -0.822) 12.130 16.370 ( 1.357 5.225 3.061) 6.206 16.675 ( -0.949 2.890 0.006) 3.042 16.940 ( -4.498 14.178 -3.537) 15.289 17.211 ( 13.014 -4.224 -12.084) 18.255 17.940 ( 5.642 -3.259 -0.612) 6.544 18.646 ( 4.461 -10.267 -11.877) 16.321 19.376 ( -18.389 -7.641 12.831) 23.689 ======================= Grid point 214 (102/170) ======================= q-point: ( 0.45 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -1.000 0.480 2.981) 3.181 1.764 ( -6.683 -2.601 1.720) 7.375 1.941 ( 11.698 4.215 15.551) 19.911 1.981 ( 15.440 1.148 -7.585) 17.241 2.346 ( 5.445 8.224 -4.619) 10.891 2.550 ( -13.060 0.694 -0.328) 13.082 2.646 ( -9.913 3.405 -5.149) 11.678 2.702 ( -6.082 0.415 5.460) 8.184 2.891 ( 6.586 -2.964 1.979) 7.488 3.068 ( -0.550 3.098 1.354) 3.426 3.391 ( 6.485 -5.506 9.312) 12.613 3.702 ( -4.780 -8.714 2.545) 10.260 4.017 ( 0.005 -0.621 -14.094) 14.108 4.158 ( 3.158 -2.982 -5.164) 6.748 4.214 ( -2.658 2.481 -9.981) 10.622 4.339 ( -4.049 -2.632 -3.618) 6.034 4.797 ( -2.697 -6.391 -2.290) 7.305 4.883 ( 2.890 -4.490 -3.917) 6.623 5.318 ( 2.436 2.805 0.185) 3.720 5.404 ( -7.136 1.202 2.731) 7.735 6.472 ( 3.263 -3.446 10.316) 11.355 6.677 ( -1.148 2.382 4.031) 4.821 6.840 ( -1.628 2.101 -0.922) 2.813 7.244 ( -4.215 2.966 -4.071) 6.568 7.338 ( -1.557 3.023 1.753) 3.825 7.395 ( 0.644 -11.760 -4.944) 12.773 8.008 ( 2.377 -9.919 -1.210) 10.271 8.140 ( 0.027 -12.434 -0.396) 12.440 8.356 ( -0.078 -13.158 5.331) 14.198 8.575 ( 0.530 10.244 -1.695) 10.397 8.757 ( -2.284 8.969 -4.308) 10.209 8.962 ( -1.551 -5.063 -7.426) 9.120 9.139 ( 9.247 11.011 9.936) 17.478 9.672 ( -1.271 3.526 0.167) 3.752 9.900 ( 2.453 6.200 1.864) 6.923 10.055 ( 0.873 8.640 1.445) 8.803 10.202 ( 2.450 -0.416 4.007) 4.715 10.453 ( 0.107 0.918 -6.610) 6.674 10.627 ( 2.659 1.443 0.406) 3.052 10.967 ( -8.676 -3.800 -4.456) 10.467 11.151 ( 10.023 -3.408 7.372) 12.901 11.475 ( -2.411 -6.564 -2.927) 7.581 11.690 ( -1.267 1.912 0.278) 2.311 11.915 ( -4.947 4.190 -3.287) 7.269 12.532 ( 7.611 9.452 0.484) 12.145 12.776 ( -5.409 8.114 -2.071) 9.969 13.233 ( -0.602 -0.643 6.172) 6.234 13.454 ( -0.303 -3.927 -3.678) 5.389 15.344 ( 6.272 -1.605 2.624) 6.986 15.838 ( -4.236 9.082 4.019) 10.797 15.870 ( -3.622 -8.444 3.252) 9.746 15.983 ( -7.355 -1.095 5.726) 9.385 16.261 ( 9.170 5.025 6.797) 12.471 16.445 ( 2.417 7.978 3.285) 8.960 16.668 ( -1.465 2.034 2.565) 3.586 16.834 ( -1.470 9.026 -5.551) 10.697 17.285 ( 12.820 -3.936 -12.718) 18.482 17.764 ( -9.850 -2.826 -14.626) 17.859 18.855 ( 19.858 -10.769 3.178) 22.813 19.163 ( -20.703 -7.679 7.704) 23.387 ======================= Grid point 215 (103/170) ======================= q-point: (-0.45 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -3.366 -3.082 3.922) 6.018 1.687 ( 0.866 1.319 0.322) 1.610 2.073 ( -9.477 0.540 -4.453) 10.485 2.178 ( 14.110 3.498 -2.019) 14.676 2.365 ( -6.739 7.701 -7.263) 12.549 2.473 ( 7.725 5.111 1.241) 9.345 2.520 ( 4.572 2.151 14.462) 15.319 2.744 ( 0.778 1.807 3.097) 3.669 2.983 ( -3.318 -0.297 -1.084) 3.503 3.041 ( 4.345 -1.616 0.163) 4.639 3.579 ( -2.830 -9.321 -0.593) 9.759 3.642 ( 1.049 -7.597 4.440) 8.862 3.881 ( 1.400 1.630 -6.503) 6.849 4.037 ( -0.677 4.646 -9.854) 10.915 4.171 ( -6.423 -3.444 -2.586) 7.733 4.224 ( 1.569 -6.021 -1.353) 6.367 4.724 ( -3.699 -1.740 0.821) 4.169 4.892 ( 3.685 -4.740 -4.977) 7.799 5.330 ( -3.087 1.954 0.393) 3.675 5.434 ( 9.533 1.046 0.906) 9.633 6.650 ( -0.554 -4.620 7.671) 8.972 6.701 ( 3.528 -1.185 5.637) 6.755 6.860 ( 3.083 2.575 2.954) 4.985 7.050 ( -5.463 -3.475 -11.079) 12.832 7.338 ( -0.248 1.822 0.015) 1.839 7.424 ( 4.515 -0.935 -1.038) 4.726 8.019 ( -1.562 -11.799 0.587) 11.916 8.121 ( 2.221 -5.359 -4.353) 7.253 8.450 ( 0.076 -15.839 9.491) 18.465 8.595 ( 2.362 5.981 0.544) 6.453 8.667 ( -3.199 7.620 -3.018) 8.798 8.850 ( -0.180 -8.120 -9.934) 12.832 9.378 ( 4.420 12.567 10.626) 17.040 9.575 ( -6.513 8.220 -6.191) 12.179 9.918 ( -3.701 9.160 3.548) 10.497 10.061 ( -0.631 6.161 -1.162) 6.302 10.271 ( 0.906 0.829 3.448) 3.660 10.378 ( -1.322 0.122 -3.579) 3.817 10.701 ( 1.411 -1.662 4.414) 4.923 10.759 ( -7.698 -0.880 -4.070) 8.752 11.351 ( -0.758 -7.697 0.320) 7.741 11.437 ( 7.638 -7.819 -0.280) 10.934 11.722 ( 2.061 4.868 2.434) 5.819 11.800 ( -1.654 4.681 -4.467) 6.679 12.613 ( -9.407 11.274 -3.353) 15.061 12.672 ( 6.426 8.072 2.781) 10.685 13.289 ( -0.539 -2.657 4.762) 5.480 13.421 ( 1.462 -5.163 -3.395) 6.350 15.515 ( 6.430 0.717 6.408) 9.106 15.583 ( -13.129 3.576 -5.329) 14.614 15.934 ( -4.384 -1.873 11.036) 12.022 16.001 ( -1.681 -2.681 4.413) 5.430 16.449 ( -2.275 9.901 -2.823) 10.544 16.484 ( 6.463 5.817 7.380) 11.405 16.719 ( 2.389 0.607 2.270) 3.352 16.774 ( 2.206 4.964 -4.608) 7.123 17.351 ( 6.021 -4.687 -7.950) 11.019 17.448 ( -2.834 -0.586 -13.881) 14.179 18.853 ( -22.971 -8.065 3.896) 24.655 19.261 ( 21.781 -9.889 3.541) 24.181 ======================= Grid point 216 (104/170) ======================= q-point: (-0.36 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -10.494 -0.710 0.856) 10.553 1.616 ( -11.507 7.679 -3.787) 14.343 1.860 ( -2.079 3.346 -4.303) 5.834 2.279 ( 5.865 2.868 -6.678) 9.339 2.388 ( 10.071 6.552 -3.675) 12.564 2.571 ( -3.934 2.465 7.427) 8.759 2.753 ( 5.568 -0.697 5.231) 7.671 2.807 ( 4.595 -0.545 1.968) 5.028 2.869 ( -1.688 2.982 -2.887) 4.481 3.122 ( 3.217 -1.917 -1.087) 3.899 3.433 ( -4.305 -8.978 -2.641) 10.300 3.753 ( 0.305 0.953 1.156) 1.529 3.827 ( 4.317 -5.258 -2.387) 7.209 4.014 ( -4.544 -1.209 -1.449) 4.920 4.102 ( 7.632 1.124 3.522) 8.480 4.254 ( -1.696 -9.224 2.962) 9.836 4.701 ( -2.495 4.725 2.643) 5.961 4.886 ( 1.180 -6.321 -2.618) 6.942 5.338 ( 5.076 2.503 -0.883) 5.728 5.633 ( 13.911 -0.534 -0.616) 13.935 6.640 ( -1.930 -6.137 -0.395) 6.445 6.854 ( 4.151 0.405 -1.367) 4.389 6.859 ( -0.178 -0.341 -6.919) 6.930 7.042 ( 5.080 -6.047 14.890) 16.855 7.332 ( 1.220 0.336 -2.266) 2.595 7.488 ( 5.511 3.873 -2.635) 7.233 7.969 ( -3.121 -9.769 -1.507) 10.365 8.134 ( 2.377 -6.228 -0.160) 6.668 8.517 ( -4.591 -7.446 8.354) 12.096 8.575 ( -1.743 5.492 -3.757) 6.878 8.629 ( -1.213 -14.640 -6.860) 16.213 8.794 ( 3.801 1.359 2.068) 4.536 9.319 ( -11.173 10.876 -10.973) 19.066 9.498 ( -3.104 10.438 7.157) 13.031 9.849 ( -8.095 10.868 0.823) 13.576 10.045 ( 0.313 5.640 0.894) 5.719 10.296 ( -1.547 -0.407 -0.032) 1.600 10.330 ( -1.051 2.102 -0.723) 2.459 10.592 ( -5.276 1.230 -2.513) 5.972 10.805 ( -1.838 -2.371 9.184) 9.661 11.243 ( -2.477 -6.329 -6.159) 9.172 11.573 ( 4.750 -4.239 -3.934) 7.484 11.737 ( 4.278 -0.771 1.338) 4.548 11.876 ( 5.884 3.094 4.494) 8.024 12.425 ( -8.280 13.226 -2.813) 15.855 12.790 ( 3.409 5.818 3.178) 7.454 13.311 ( -0.919 -4.997 1.822) 5.397 13.434 ( 3.140 -2.396 -1.645) 4.278 15.296 ( -13.712 1.898 -2.532) 14.073 15.703 ( 2.182 2.606 8.055) 8.743 15.944 ( -6.773 6.282 5.849) 10.934 16.024 ( 0.653 -8.601 3.237) 9.213 16.349 ( -2.434 2.009 -4.737) 5.692 16.582 ( -2.058 3.090 -1.905) 4.173 16.709 ( 1.651 0.819 0.182) 1.852 16.847 ( 8.381 8.165 -4.813) 12.652 17.214 ( -1.539 2.109 -6.606) 7.103 17.539 ( 11.057 -3.169 2.609) 11.794 18.484 ( -24.304 -7.528 1.018) 25.464 19.643 ( 20.599 -9.801 0.934) 22.831 ======================= Grid point 217 (105/170) ======================= q-point: (-0.27 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -19.260 9.887 1.780) 21.722 1.362 ( -16.464 6.154 4.081) 18.045 1.911 ( 12.475 4.811 -9.062) 16.153 2.195 ( -6.982 5.770 -7.101) 11.510 2.307 ( -10.328 9.074 -4.410) 14.438 2.634 ( -0.169 -4.326 5.230) 6.789 2.781 ( 3.320 -1.123 -2.108) 4.090 2.851 ( 3.847 -1.821 0.238) 4.263 3.067 ( 7.488 1.651 -0.433) 7.680 3.118 ( 6.959 0.793 -0.389) 7.015 3.427 ( 3.567 -7.864 0.787) 8.671 3.752 ( 1.370 2.015 2.354) 3.388 3.878 ( 2.255 -4.342 -1.032) 5.001 4.086 ( 5.639 -3.598 7.158) 9.797 4.232 ( -4.227 -7.886 2.593) 9.316 4.259 ( 5.295 -0.844 3.794) 6.568 4.650 ( -6.439 6.728 1.304) 9.404 4.893 ( 0.599 -6.271 0.466) 6.317 5.487 ( 13.213 1.846 -0.081) 13.341 5.876 ( 17.901 -2.415 -3.550) 18.409 6.573 ( -0.755 -7.796 -6.594) 10.238 6.778 ( 1.607 0.215 -5.478) 5.713 6.964 ( 5.746 2.630 1.928) 6.607 7.232 ( -1.090 -6.900 5.726) 9.033 7.364 ( 4.885 -2.313 1.195) 5.535 7.568 ( 7.658 2.882 -0.114) 8.184 7.909 ( -1.638 -6.637 -1.050) 6.916 8.189 ( 2.107 -9.913 2.050) 10.339 8.441 ( -6.602 -13.102 -10.517) 18.052 8.503 ( -6.404 -3.756 1.871) 7.656 8.528 ( -4.032 4.290 8.417) 10.272 8.876 ( -7.176 1.052 -0.247) 7.257 9.049 ( -1.446 9.076 -4.360) 10.172 9.439 ( -9.466 9.994 1.425) 13.839 9.728 ( -5.541 8.371 2.332) 10.307 10.067 ( 0.777 5.812 -0.384) 5.876 10.220 ( -3.132 -1.504 -5.122) 6.189 10.303 ( -2.940 2.101 -0.521) 3.651 10.516 ( -2.768 4.910 0.489) 5.658 10.807 ( -7.634 -2.257 4.915) 9.356 11.209 ( 3.562 -2.013 -0.337) 4.105 11.590 ( 3.002 -0.639 -0.750) 3.159 11.831 ( 3.846 -9.875 -1.170) 10.662 12.038 ( 6.302 2.263 5.489) 8.658 12.299 ( -2.803 13.682 -2.430) 14.176 12.846 ( 0.174 4.615 0.958) 4.716 13.319 ( 0.460 -5.161 1.034) 5.284 13.470 ( 2.924 0.004 -1.526) 3.298 15.075 ( -13.179 0.752 2.838) 13.502 15.680 ( -10.446 -0.082 0.810) 10.478 15.866 ( -4.914 9.999 -1.158) 11.201 16.088 ( 2.075 -9.598 1.542) 9.940 16.333 ( 4.644 -0.235 0.673) 4.698 16.503 ( -3.147 -1.801 -0.263) 3.636 16.707 ( 1.847 -2.729 -7.226) 7.942 16.940 ( 6.863 12.235 -1.684) 14.129 17.170 ( 4.159 7.810 -7.078) 11.331 17.772 ( 5.049 -2.078 6.263) 8.309 18.113 ( -20.292 -7.586 7.232) 22.839 19.949 ( 17.371 -9.595 -3.360) 20.127 ======================= Grid point 218 (106/170) ======================= q-point: (-0.18 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -15.621 9.732 12.552) 22.277 1.184 ( -16.145 8.461 13.121) 22.459 1.914 ( -13.982 13.420 4.288) 19.849 1.986 ( -1.106 12.734 -7.027) 14.586 2.152 ( 3.690 -0.159 -10.958) 11.564 2.654 ( 0.220 -5.242 -3.126) 6.107 2.779 ( 0.698 -2.318 -2.345) 3.371 2.927 ( 5.608 -2.098 0.312) 5.996 3.087 ( 3.590 5.865 -0.683) 6.910 3.353 ( 10.415 -2.434 2.712) 11.034 3.509 ( 4.838 -6.455 -1.218) 8.158 3.838 ( 3.158 -1.789 4.831) 6.042 3.949 ( 4.494 0.059 3.681) 5.809 4.164 ( -3.097 -5.119 -1.668) 6.211 4.238 ( 1.822 -3.470 5.276) 6.572 4.359 ( 2.060 -1.019 3.112) 3.868 4.553 ( -7.221 4.560 3.301) 9.156 4.889 ( -0.956 -5.441 -1.032) 5.620 5.741 ( 15.771 -0.372 0.412) 15.781 6.134 ( 19.828 -4.547 -7.138) 21.559 6.501 ( 1.772 -5.380 -7.095) 9.079 6.744 ( 1.714 2.307 -5.978) 6.633 7.057 ( 1.776 -3.907 -0.431) 4.313 7.222 ( 0.952 -0.894 -1.300) 1.843 7.437 ( 4.735 -0.370 -1.639) 5.024 7.726 ( 2.440 -6.874 7.272) 10.300 7.904 ( 2.570 -3.464 -0.825) 4.392 8.130 ( -7.017 -11.519 -9.046) 16.241 8.256 ( -8.997 -3.035 -3.004) 9.958 8.353 ( -11.451 -8.364 3.223) 14.541 8.625 ( 0.929 2.585 10.679) 11.026 8.714 ( -5.923 8.906 9.814) 14.515 9.073 ( 0.235 4.078 0.621) 4.132 9.278 ( -7.985 10.978 -0.291) 13.578 9.756 ( 1.812 2.499 5.017) 5.891 10.041 ( -1.580 2.089 -5.435) 6.033 10.107 ( -1.554 -0.687 -4.292) 4.616 10.208 ( -3.995 0.937 -4.960) 6.437 10.491 ( -2.695 8.426 1.720) 9.012 10.704 ( -7.185 0.146 0.448) 7.201 11.324 ( 6.082 -0.059 4.499) 7.566 11.638 ( -1.741 -1.020 4.790) 5.197 11.859 ( 3.441 -9.655 -1.101) 10.309 12.164 ( 2.708 0.402 1.193) 2.986 12.283 ( 3.318 9.261 -1.434) 9.942 12.812 ( -1.857 6.310 -4.246) 7.829 13.354 ( 0.601 -3.546 3.079) 4.734 13.497 ( 4.069 0.339 -3.344) 5.277 14.904 ( -15.350 0.750 7.818) 17.243 15.502 ( -7.124 -1.430 -1.528) 7.425 15.750 ( -3.101 7.425 -7.143) 10.760 16.124 ( 1.658 -8.884 0.902) 9.082 16.463 ( 4.957 -2.871 3.669) 6.802 16.480 ( -1.500 0.067 3.036) 3.387 16.635 ( 3.158 -3.658 -11.944) 12.885 17.009 ( 2.475 6.936 -0.719) 7.399 17.171 ( 5.301 14.707 -7.055) 17.152 17.556 ( -18.516 -1.640 -7.237) 19.947 18.260 ( 4.010 -5.209 25.937) 26.757 20.131 ( 12.324 -9.334 -8.522) 17.652 ======================= Grid point 219 (107/170) ======================= q-point: (-0.09 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -13.804 6.088 17.304) 22.957 1.145 ( -10.323 6.808 20.960) 24.336 1.779 ( -11.745 21.612 13.778) 28.193 1.920 ( 4.038 9.836 -8.236) 13.450 2.165 ( 7.978 -3.175 -6.233) 10.611 2.550 ( 2.679 3.255 -12.648) 13.332 2.851 ( 2.181 -3.430 5.611) 6.928 3.018 ( 3.216 -2.626 2.201) 4.699 3.128 ( 1.333 3.161 -0.719) 3.505 3.504 ( 3.221 -3.027 -1.850) 4.792 3.515 ( 2.274 -7.933 -2.190) 8.539 3.936 ( 1.758 -2.095 2.335) 3.596 4.055 ( 2.935 3.420 -0.726) 4.565 4.113 ( 0.040 -2.635 3.160) 4.115 4.278 ( -2.344 -2.070 3.137) 4.429 4.396 ( -0.842 0.242 1.075) 1.387 4.508 ( -4.409 1.121 6.595) 8.012 4.845 ( -1.059 -5.166 -3.140) 6.138 5.967 ( 10.290 -2.833 -1.065) 10.725 6.319 ( 11.385 -6.344 -11.360) 17.288 6.503 ( 7.365 -3.243 -2.787) 8.517 6.716 ( 4.355 3.061 -6.790) 8.628 7.012 ( -1.872 -7.858 -3.455) 8.786 7.235 ( -0.256 1.865 -0.994) 2.129 7.501 ( 4.266 -1.482 -4.831) 6.613 7.702 ( -7.977 2.776 0.288) 8.451 7.881 ( -9.947 -8.102 -6.205) 14.251 7.934 ( -2.280 -3.039 -3.325) 5.049 8.088 ( 2.239 -6.196 1.922) 6.863 8.276 ( -8.979 -7.809 6.604) 13.609 8.738 ( -0.236 2.784 14.447) 14.715 8.920 ( 3.026 -1.604 17.722) 18.050 9.127 ( 6.267 11.788 2.499) 13.582 9.217 ( -1.494 6.161 5.694) 8.521 9.754 ( -6.437 0.787 -2.532) 6.961 9.921 ( -1.024 -1.715 -7.590) 7.848 10.004 ( -5.213 -2.550 -7.949) 9.842 10.208 ( 8.134 3.529 0.891) 8.911 10.438 ( -4.963 10.175 -0.533) 11.333 10.603 ( -5.209 1.602 0.643) 5.488 11.452 ( 3.054 1.239 1.566) 3.649 11.662 ( -2.366 -3.132 10.289) 11.013 11.930 ( 4.093 -9.130 -0.804) 10.037 12.162 ( -1.191 0.635 -1.220) 1.819 12.333 ( 2.960 4.616 -1.176) 5.609 12.709 ( -0.775 7.573 -9.079) 11.848 13.381 ( -3.560 -0.338 5.332) 6.420 13.546 ( 7.743 -0.402 -5.615) 9.573 14.743 ( -15.626 2.096 10.893) 19.163 15.441 ( 1.295 -3.387 -3.812) 5.262 15.636 ( -0.279 5.032 -4.993) 7.094 16.179 ( 2.704 -8.314 2.534) 9.102 16.479 ( -2.350 -0.724 2.167) 3.277 16.520 ( 3.959 -5.818 -11.416) 13.411 16.584 ( -0.267 -1.093 0.732) 1.342 16.979 ( -3.073 -2.266 -5.590) 6.769 17.169 ( 1.150 18.357 -4.423) 18.917 17.247 ( -6.978 7.274 -2.772) 10.454 18.640 ( 3.939 -4.772 28.211) 28.882 20.159 ( 6.032 -9.003 -13.832) 17.571 ======================= Grid point 220 (108/170) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -1.739 19.393 7.428) 20.840 1.476 ( 4.357 9.667 11.251) 15.460 1.886 ( 0.137 9.425 -11.083) 14.550 2.093 ( 3.066 2.318 -5.376) 6.609 2.497 ( -0.490 11.394 9.895) 15.098 2.717 ( 6.294 6.254 -0.761) 8.906 2.806 ( -1.841 -2.656 4.583) 5.608 3.040 ( 2.820 -6.024 -6.443) 9.260 3.095 ( -1.803 1.912 2.341) 3.520 3.238 ( -4.610 -4.590 -5.941) 8.810 3.453 ( 1.896 -8.749 5.266) 10.386 3.779 ( -3.952 -7.839 -6.160) 10.724 4.141 ( 0.674 2.523 2.592) 3.679 4.223 ( 2.868 3.217 3.016) 5.260 4.258 ( -2.444 -1.036 4.689) 5.388 4.359 ( -4.415 0.855 0.678) 4.548 4.575 ( 1.393 1.471 5.196) 5.577 4.696 ( -1.494 -3.667 -0.346) 3.974 5.930 ( 1.836 -6.769 -3.049) 7.647 6.096 ( 0.303 -11.115 -8.920) 14.255 6.493 ( -0.617 -4.422 2.417) 5.077 6.652 ( -0.339 -5.775 -5.443) 7.943 6.942 ( 11.609 -2.843 -2.425) 12.195 7.053 ( -11.580 -3.998 -5.667) 13.498 7.568 ( 2.174 4.975 -0.812) 5.490 7.654 ( -2.796 2.332 -4.538) 5.818 7.696 ( 2.094 -4.500 2.156) 5.411 7.766 ( 2.394 -4.670 -1.276) 5.401 8.028 ( -3.456 -8.893 2.962) 9.990 8.056 ( 1.919 -7.006 2.639) 7.729 8.925 ( -0.012 -0.949 14.111) 14.143 9.039 ( 2.125 -3.299 13.277) 13.845 9.388 ( -0.223 7.077 4.292) 8.280 9.461 ( 3.605 0.671 -2.194) 4.273 9.605 ( -3.631 1.933 -8.124) 9.106 9.760 ( -3.695 -2.034 -9.914) 10.774 9.971 ( 5.082 7.058 6.071) 10.607 10.327 ( 0.292 0.564 -3.276) 3.337 10.563 ( -1.068 6.451 1.511) 6.711 10.622 ( -1.472 3.769 -0.326) 4.060 11.495 ( -4.268 1.697 2.147) 5.070 11.666 ( 4.223 -4.470 -0.793) 6.200 11.841 ( 5.098 -4.539 4.791) 8.339 12.029 ( -6.221 -7.412 0.464) 9.688 12.511 ( 2.011 9.806 -0.218) 10.013 12.758 ( -1.803 8.754 -9.330) 12.920 13.418 ( -2.013 2.431 4.953) 5.873 13.570 ( 2.280 -1.715 -2.066) 3.522 14.794 ( -4.308 7.247 10.622) 13.561 15.334 ( 2.965 -2.839 -9.555) 10.400 15.715 ( 1.300 2.933 2.058) 3.811 16.036 ( -0.902 -9.929 2.755) 10.344 16.291 ( 0.097 -6.170 -9.517) 11.343 16.438 ( 1.834 -6.720 2.245) 7.319 16.488 ( -7.282 1.982 -2.088) 7.831 16.806 ( 4.617 -3.371 -8.778) 10.476 17.434 ( 1.630 13.634 4.895) 14.577 17.619 ( -1.188 21.124 -3.559) 21.454 18.863 ( 1.262 -6.770 24.662) 25.606 19.771 ( -0.803 -15.012 -16.612) 22.405 ======================= Grid point 221 (109/170) ======================= q-point: ( 0.09 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 5.181 17.875 6.555) 19.732 1.679 ( 10.368 5.188 -0.655) 11.612 1.780 ( -2.196 9.357 -2.345) 9.893 2.100 ( 7.442 4.031 -8.438) 11.952 2.467 ( -12.005 5.810 0.061) 13.338 2.782 ( -3.766 -4.445 1.387) 5.989 2.824 ( 4.131 1.539 -0.109) 4.409 2.958 ( -3.155 -6.114 0.196) 6.883 3.069 ( -3.405 0.907 -2.997) 4.626 3.208 ( 2.272 4.190 3.676) 6.019 3.564 ( 1.476 -8.490 9.262) 12.650 3.615 ( -5.220 -8.709 -7.903) 12.866 4.101 ( -7.985 2.452 0.157) 8.355 4.198 ( -4.053 5.847 0.106) 7.116 4.308 ( 1.374 -2.199 6.517) 7.014 4.388 ( 3.662 0.729 1.355) 3.972 4.637 ( -0.700 1.209 2.659) 3.003 4.674 ( 0.281 -3.307 -0.290) 3.332 5.867 ( -6.677 -6.015 -0.380) 8.995 5.964 ( -4.556 -9.801 -7.290) 13.037 6.493 ( -1.464 -5.130 1.758) 5.617 6.605 ( -2.270 0.918 -3.531) 4.297 6.799 ( -6.035 -6.330 -4.089) 9.654 7.122 ( 7.031 -8.903 1.996) 11.519 7.440 ( -6.991 3.543 -1.418) 7.965 7.731 ( 4.718 -2.785 -1.924) 5.807 7.766 ( 2.092 -0.939 -0.425) 2.332 7.828 ( 8.988 0.148 -0.550) 9.006 7.966 ( -2.609 -5.995 0.981) 6.611 8.176 ( 7.194 -8.857 1.484) 11.507 9.068 ( -0.920 -1.914 10.874) 11.079 9.163 ( -2.786 -1.673 4.642) 5.666 9.421 ( 2.307 2.342 -0.577) 3.337 9.479 ( 2.149 0.944 -3.980) 4.621 9.512 ( 1.865 3.930 -2.631) 5.084 9.666 ( 4.089 -1.934 -2.460) 5.149 10.129 ( 0.939 5.311 4.346) 6.926 10.224 ( -1.900 5.156 -6.612) 8.597 10.573 ( 0.942 5.166 1.723) 5.526 10.661 ( 4.405 2.858 1.398) 5.434 11.464 ( -3.820 -3.006 4.342) 6.518 11.661 ( 0.882 -0.000 -5.440) 5.511 11.886 ( -8.588 -9.495 -2.431) 13.032 12.009 ( 3.827 -2.877 7.750) 9.110 12.573 ( 4.377 11.041 2.617) 12.161 12.659 ( 1.595 9.140 -7.551) 11.962 13.407 ( -4.912 4.070 3.189) 7.132 13.554 ( -1.115 -2.737 -1.727) 3.423 14.921 ( 3.434 6.855 11.712) 13.998 15.287 ( 6.776 -1.403 -11.603) 13.510 15.761 ( -3.224 -1.227 4.994) 6.069 15.963 ( -1.249 -3.969 -8.077) 9.086 16.266 ( -1.180 -7.536 4.275) 8.744 16.371 ( -1.105 -0.996 -2.834) 3.201 16.587 ( 9.507 -5.246 6.652) 12.734 16.826 ( 9.852 -4.195 -10.280) 14.843 17.469 ( -4.330 17.162 1.034) 17.730 17.550 ( -1.474 19.326 -0.709) 19.395 19.114 ( -3.715 -9.374 23.190) 25.288 19.503 ( -6.492 -13.829 -19.758) 24.975 ======================= Grid point 222 (110/170) ======================= q-point: ( 0.18 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 5.964 13.761 3.044) 15.304 1.706 ( 7.425 3.950 -11.134) 13.953 1.837 ( 4.110 4.240 0.595) 5.935 2.082 ( -6.537 3.290 -7.602) 10.552 2.279 ( -2.185 8.745 4.394) 10.028 2.712 ( -6.146 -6.784 2.145) 9.402 2.786 ( -2.551 1.198 -3.775) 4.711 2.961 ( -3.880 0.609 -5.461) 6.727 3.010 ( -0.045 -2.278 6.887) 7.254 3.249 ( -2.923 2.835 2.292) 4.673 3.450 ( -4.759 -7.846 -6.228) 11.091 3.688 ( -0.609 -7.148 8.351) 11.009 3.971 ( -5.231 0.304 -0.073) 5.241 4.122 ( -3.680 1.865 -0.669) 4.180 4.435 ( 3.686 1.372 1.000) 4.058 4.449 ( 3.838 1.143 3.686) 5.443 4.609 ( -1.779 -3.578 -1.369) 4.224 4.697 ( 0.834 -3.130 0.257) 3.249 5.722 ( -11.135 -4.575 2.182) 12.234 5.795 ( -7.605 -7.180 -4.680) 11.459 6.414 ( -6.406 0.095 -2.530) 6.888 6.564 ( 0.373 0.739 2.708) 2.832 6.802 ( 4.602 -7.074 1.053) 8.504 7.161 ( -2.396 -13.004 -0.799) 13.247 7.378 ( -1.527 2.175 1.705) 3.157 7.721 ( -5.580 -3.561 -0.206) 6.623 7.744 ( 0.764 -7.560 -3.018) 8.176 7.870 ( -0.754 -1.176 -0.021) 1.397 8.142 ( 16.519 2.255 1.390) 16.730 8.301 ( 7.161 -6.436 -0.841) 9.665 9.065 ( -3.666 -0.491 -5.782) 6.864 9.128 ( -2.518 0.921 3.934) 4.761 9.413 ( 2.509 5.647 -8.615) 10.602 9.480 ( 1.098 2.099 0.079) 2.370 9.615 ( 5.762 0.143 6.635) 8.789 9.796 ( 6.363 -2.460 3.584) 7.706 10.096 ( 4.351 3.833 -5.037) 7.681 10.166 ( -3.737 6.068 -0.270) 7.132 10.663 ( 5.152 4.502 2.763) 7.378 10.754 ( 4.574 3.482 1.062) 5.846 11.433 ( -5.882 -5.512 1.579) 8.214 11.585 ( -4.376 -2.192 -2.646) 5.564 11.736 ( -3.744 -6.176 -2.175) 7.543 12.115 ( 0.673 -1.892 3.844) 4.337 12.631 ( 3.718 10.760 -6.050) 12.892 12.718 ( 6.684 11.785 5.888) 14.773 13.331 ( -6.845 3.473 1.142) 7.760 13.515 ( -1.452 -3.916 -0.686) 4.233 15.112 ( 5.169 3.390 5.581) 8.328 15.330 ( 9.797 0.670 -3.524) 10.433 15.705 ( -5.184 -2.083 1.614) 5.816 15.913 ( 1.601 1.127 -2.134) 2.896 16.286 ( -1.087 -5.177 3.513) 6.350 16.374 ( 0.995 -1.302 1.488) 2.214 16.875 ( 12.378 0.357 0.485) 12.393 16.894 ( 13.548 -8.140 -5.632) 16.779 17.348 ( -5.674 12.028 -1.816) 13.423 17.542 ( -2.579 19.071 2.687) 19.431 19.124 ( -10.461 -12.882 -20.693) 26.525 19.255 ( -8.953 -11.273 19.363) 24.128 ======================= Grid point 223 (111/170) ======================= q-point: ( 0.27 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 2.583 7.873 0.473) 8.300 1.745 ( 7.552 5.359 -7.162) 11.707 1.850 ( -5.993 2.784 -4.285) 7.876 1.883 ( 0.196 4.553 -0.994) 4.665 2.402 ( 3.636 5.772 7.888) 10.429 2.632 ( -7.070 -6.565 3.088) 10.130 2.725 ( -1.580 3.794 -0.590) 4.152 2.846 ( -2.362 2.867 -3.624) 5.190 3.031 ( -4.079 -1.813 3.860) 5.901 3.198 ( -5.517 -0.839 1.758) 5.851 3.295 ( -6.009 -3.704 -5.274) 8.812 3.661 ( -7.131 -6.267 1.161) 9.564 3.997 ( 4.197 -2.777 3.564) 6.167 4.075 ( -0.024 -2.481 -2.803) 3.743 4.426 ( 2.738 0.515 -8.721) 9.156 4.523 ( 0.194 3.142 -4.358) 5.376 4.624 ( 2.336 -7.406 6.041) 9.838 4.694 ( -1.014 -6.300 -0.539) 6.403 5.567 ( -9.755 -2.990 0.857) 10.239 5.619 ( -9.170 -2.886 -0.541) 9.629 6.319 ( -3.014 -0.316 0.038) 3.030 6.623 ( 1.591 1.620 4.108) 4.693 6.903 ( 3.135 -3.133 3.160) 5.444 7.100 ( -1.672 -13.558 -1.878) 13.789 7.373 ( -1.984 0.984 2.235) 3.146 7.600 ( -7.405 -2.311 -1.022) 7.825 7.726 ( 0.733 -9.222 -1.473) 9.367 7.860 ( -0.474 -4.559 -0.514) 4.613 8.281 ( 2.786 -3.326 -5.681) 7.148 8.503 ( 13.475 -0.180 3.921) 14.035 8.957 ( 0.957 1.607 -7.058) 7.302 9.114 ( -3.659 7.810 2.288) 8.923 9.316 ( -0.680 6.450 -11.162) 12.909 9.514 ( 3.041 -0.535 1.571) 3.464 9.800 ( 5.533 -0.369 8.193) 9.893 9.898 ( 4.164 -1.291 0.131) 4.361 10.141 ( 1.467 8.586 2.082) 8.956 10.225 ( 10.513 0.637 1.575) 10.649 10.763 ( 3.325 1.582 1.494) 3.974 10.819 ( 3.689 5.666 -1.889) 7.020 11.278 ( -9.673 -3.478 -2.984) 10.703 11.494 ( -5.845 -11.895 0.510) 13.264 11.710 ( 0.818 1.778 -0.270) 1.975 12.127 ( -2.114 -0.462 1.141) 2.446 12.638 ( 4.389 12.575 -4.578) 14.084 12.884 ( 5.209 9.681 4.141) 11.747 13.230 ( -5.385 0.886 0.502) 5.480 13.494 ( -0.883 -3.362 -0.053) 3.477 15.186 ( 3.793 0.509 -2.713) 4.691 15.530 ( 9.668 2.253 7.294) 12.319 15.673 ( -4.106 -3.457 5.741) 7.859 15.969 ( 6.488 5.345 1.050) 8.471 16.312 ( -2.518 -2.850 5.325) 6.544 16.410 ( 2.946 1.966 -0.817) 3.635 16.913 ( 5.149 7.511 -12.780) 15.693 17.042 ( 4.220 -0.356 -2.804) 5.079 17.358 ( 1.259 5.709 1.629) 6.069 17.582 ( 6.783 5.723 7.363) 11.532 18.699 ( -11.374 -12.679 -21.100) 27.118 19.264 ( -13.844 -12.739 15.658) 24.477 ======================= Grid point 224 (112/170) ======================= q-point: ( 0.36 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -1.651 1.993 -6.540) 7.033 1.740 ( -1.925 4.139 10.509) 11.458 1.850 ( -2.332 4.989 3.660) 6.612 1.900 ( 14.003 6.279 -7.234) 16.966 2.489 ( -3.829 -4.227 2.825) 6.365 2.589 ( 0.244 0.951 3.189) 3.337 2.727 ( -1.014 4.324 4.548) 6.357 2.763 ( -4.778 1.916 -0.885) 5.223 3.016 ( -9.589 -0.161 -3.674) 10.270 3.093 ( 2.733 -0.080 6.507) 7.058 3.195 ( -3.894 -0.125 -0.492) 3.927 3.566 ( -4.936 -7.998 0.794) 9.432 4.036 ( 1.813 -3.262 -6.172) 7.212 4.108 ( 4.293 -4.822 0.393) 6.468 4.323 ( 0.058 -0.091 -13.430) 13.431 4.453 ( 0.018 0.440 -8.046) 8.058 4.659 ( -1.713 -9.879 -0.730) 10.053 4.703 ( -0.084 -7.664 3.417) 8.391 5.420 ( -5.926 0.268 -1.912) 6.232 5.501 ( -7.493 -0.606 3.348) 8.230 6.312 ( 0.062 -2.103 3.008) 3.671 6.693 ( 0.928 2.316 3.658) 4.428 6.929 ( -2.283 0.562 0.464) 2.396 7.090 ( 1.552 -15.638 -0.815) 15.736 7.371 ( -1.114 3.083 1.625) 3.659 7.471 ( -5.982 1.719 -0.738) 6.267 7.753 ( 3.145 -11.151 1.396) 11.670 7.842 ( -1.585 -7.196 0.563) 7.390 8.222 ( -0.216 -4.088 -6.644) 7.804 8.651 ( 3.364 -7.052 -4.335) 8.935 8.945 ( 1.443 7.288 -3.117) 8.057 9.097 ( 0.682 7.951 -5.531) 9.710 9.202 ( 2.003 10.827 0.916) 11.048 9.619 ( 4.058 -1.815 5.008) 6.697 9.954 ( 5.100 6.433 2.356) 8.541 9.980 ( 2.051 -5.120 6.978) 8.894 10.241 ( 4.900 10.522 3.837) 12.225 10.404 ( 8.469 -1.241 -0.242) 8.563 10.758 ( -1.800 4.638 -4.495) 6.705 10.880 ( 5.044 -0.512 0.205) 5.074 11.099 ( -8.126 -3.429 -1.641) 8.971 11.390 ( -5.757 -11.506 -1.165) 12.918 11.729 ( 1.207 3.720 0.370) 3.929 12.082 ( -3.595 1.589 -0.344) 3.946 12.680 ( 5.150 12.621 -1.916) 13.765 12.960 ( 1.464 6.857 0.054) 7.011 13.185 ( -1.343 -1.739 1.249) 2.528 13.464 ( -2.487 -1.699 -1.242) 3.258 15.236 ( 5.215 2.112 -0.304) 5.635 15.678 ( -4.661 -4.309 9.093) 11.089 15.774 ( 7.449 -0.060 8.826) 11.550 16.125 ( 6.520 2.447 4.237) 8.152 16.275 ( -7.527 6.683 1.622) 10.196 16.483 ( 7.477 6.243 0.187) 9.742 16.808 ( -0.086 9.003 -8.089) 12.103 17.099 ( 8.087 -4.075 -6.969) 11.427 17.283 ( -5.388 14.537 -3.701) 15.939 17.855 ( 6.911 -3.726 4.317) 8.959 18.350 ( -0.614 -16.916 -13.509) 21.657 19.150 ( -17.478 -13.633 10.725) 24.625 ======================= Grid point 225 (113/170) ======================= q-point: ( 0.45 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -0.661 1.094 -0.832) 1.526 1.688 ( -4.413 -3.437 -2.503) 6.128 2.059 ( 8.039 6.808 12.717) 16.514 2.086 ( 12.929 7.433 0.421) 14.919 2.434 ( -1.433 -1.246 -0.853) 2.082 2.558 ( -8.868 -0.647 1.537) 9.024 2.712 ( -1.580 3.146 4.188) 5.471 2.791 ( -7.095 8.031 0.014) 10.716 2.842 ( 4.650 -2.111 0.802) 5.169 3.118 ( -3.063 0.119 -2.759) 4.124 3.292 ( 6.383 -1.168 9.452) 11.465 3.506 ( -4.740 -8.558 2.388) 10.070 3.997 ( 2.760 -1.949 -8.268) 8.932 4.073 ( -2.465 -3.120 -9.008) 9.846 4.202 ( 0.354 -4.023 -6.686) 7.811 4.323 ( -2.250 0.985 -11.888) 12.139 4.627 ( -1.978 -9.797 0.577) 10.011 4.714 ( 0.440 -10.838 -0.443) 10.856 5.365 ( 1.137 1.662 -0.122) 2.017 5.426 ( -5.363 0.728 1.944) 5.751 6.388 ( 2.493 -4.240 6.530) 8.175 6.711 ( -2.756 -0.420 1.582) 3.206 6.894 ( -0.096 2.814 -0.810) 2.930 7.063 ( -3.084 -13.552 -3.749) 14.395 7.375 ( 2.302 5.974 -0.485) 6.421 7.416 ( -2.435 3.479 2.380) 4.868 7.820 ( -2.545 -8.942 1.531) 9.422 7.864 ( 6.125 -11.331 3.728) 13.409 8.149 ( -0.752 -6.327 -4.390) 7.738 8.590 ( -0.200 -9.709 -8.790) 13.098 8.914 ( 0.559 7.993 -4.005) 8.958 8.969 ( -3.536 6.842 -6.355) 9.986 9.416 ( 9.285 12.631 9.474) 18.317 9.723 ( 0.979 1.459 4.937) 5.240 10.055 ( 3.625 6.680 3.085) 8.203 10.080 ( -1.344 -3.110 8.311) 8.975 10.342 ( 2.704 10.864 1.753) 11.331 10.456 ( 0.783 -0.361 -4.885) 4.960 10.674 ( -0.860 2.968 -3.218) 4.461 10.874 ( -5.345 -4.720 -4.277) 8.315 11.074 ( 6.171 -3.554 3.150) 7.787 11.288 ( -4.658 -10.282 -1.790) 11.429 11.763 ( 1.809 5.058 1.670) 5.626 12.003 ( -4.008 3.651 -2.388) 5.925 12.764 ( 5.458 10.571 0.860) 11.928 12.955 ( -0.631 7.734 -2.240) 8.077 13.198 ( 0.780 -3.279 1.717) 3.782 13.377 ( -4.743 -2.012 -2.994) 5.959 15.363 ( 7.320 3.634 4.152) 9.167 15.711 ( -2.517 -5.940 6.680) 9.287 15.944 ( -1.064 -0.850 8.663) 8.769 16.069 ( -11.604 9.126 -0.536) 14.772 16.306 ( 4.299 0.502 8.152) 9.229 16.673 ( 13.252 13.318 1.195) 18.826 16.752 ( 0.527 5.599 -4.433) 7.161 17.060 ( -4.283 8.990 -7.683) 12.578 17.212 ( 6.199 -1.045 -7.252) 9.598 17.702 ( -10.051 -1.530 -12.568) 16.165 18.538 ( 19.196 -18.831 5.173) 27.384 18.935 ( -18.850 -13.887 5.484) 24.047 ======================= Grid point 226 (114/170) ======================= q-point: (-0.45 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -2.641 -1.660 -0.181) 3.124 1.696 ( 9.925 -0.623 -2.524) 10.260 2.171 ( -7.975 7.704 0.363) 11.095 2.292 ( 10.958 7.138 1.339) 13.146 2.404 ( -9.130 -0.942 0.848) 9.218 2.497 ( 7.267 -2.000 4.196) 8.627 2.741 ( 2.860 13.096 3.886) 13.956 2.769 ( -1.203 -0.400 3.286) 3.522 2.965 ( 5.212 -1.823 3.204) 6.384 3.034 ( -1.842 1.527 -4.449) 5.051 3.380 ( -4.783 -8.223 -0.335) 9.519 3.515 ( 2.119 -2.942 5.304) 6.425 3.893 ( 0.375 -0.483 -7.136) 7.162 4.039 ( 1.275 -3.905 0.624) 4.155 4.094 ( -5.544 -5.387 -4.604) 8.997 4.146 ( -0.035 0.998 -13.123) 13.161 4.620 ( -0.236 -8.138 2.294) 8.459 4.728 ( 2.999 -10.909 -2.543) 11.596 5.373 ( -1.841 2.022 0.038) 2.735 5.445 ( 7.246 0.050 0.760) 7.286 6.523 ( 1.823 -6.445 8.335) 10.693 6.657 ( -1.996 -3.906 -0.600) 4.427 6.908 ( -1.321 -2.685 -0.796) 3.096 6.947 ( -0.455 -0.283 -3.761) 3.799 7.383 ( -2.222 2.655 1.360) 3.720 7.467 ( 6.131 4.341 -0.296) 7.518 7.792 ( -3.115 -9.471 1.931) 10.155 7.995 ( 7.014 -6.830 -3.566) 10.419 8.125 ( -1.505 -12.410 6.218) 13.962 8.470 ( -0.731 -12.388 -10.816) 16.462 8.848 ( -4.146 8.382 -2.838) 9.773 8.896 ( 1.131 7.582 -2.531) 8.073 9.624 ( 1.988 9.937 7.672) 12.711 9.736 ( -2.946 6.838 -1.339) 7.565 10.112 ( -4.897 -0.337 6.301) 7.987 10.123 ( -1.097 8.433 5.985) 10.399 10.373 ( 0.343 0.828 -2.539) 2.692 10.386 ( 0.706 8.241 -3.546) 8.999 10.652 ( -1.998 -2.771 0.532) 3.457 10.746 ( -2.738 -0.273 -2.486) 3.708 11.178 ( -3.011 -8.294 -2.240) 9.103 11.257 ( 8.714 -8.388 1.091) 12.144 11.832 ( 1.999 5.414 3.900) 6.965 11.902 ( -3.077 4.884 -3.807) 6.915 12.857 ( 1.299 8.920 0.565) 9.032 12.884 ( -1.716 10.404 -2.771) 10.902 13.225 ( -3.124 -2.345 1.402) 4.151 13.298 ( 2.357 -5.285 -1.070) 5.885 15.548 ( 5.559 2.384 6.159) 8.633 15.670 ( -4.572 2.992 -6.840) 8.754 15.868 ( -11.002 -0.399 12.835) 16.910 16.035 ( -2.611 3.774 6.746) 8.159 16.473 ( 1.997 -3.000 8.603) 9.327 16.681 ( -4.429 6.146 -2.032) 7.843 16.799 ( -2.167 5.985 -9.991) 11.846 16.971 ( 11.430 12.425 -5.837) 17.863 17.256 ( 3.821 -1.884 0.744) 4.325 17.453 ( -0.484 2.457 -11.991) 12.249 18.617 ( -20.522 -14.105 2.448) 25.021 18.968 ( 21.026 -17.620 3.991) 27.721 ======================= Grid point 227 (115/170) ======================= q-point: (-0.36 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -0.628 1.489 -1.019) 1.910 1.830 ( 4.073 8.544 -3.326) 10.032 1.953 ( -7.367 7.674 -5.914) 12.171 2.338 ( 1.044 1.867 -1.842) 2.823 2.444 ( 4.925 0.880 1.456) 5.210 2.684 ( 7.449 -2.764 2.297) 8.270 2.746 ( -1.389 -3.078 0.945) 3.507 2.791 ( -3.430 10.189 1.727) 10.889 2.983 ( 1.865 5.264 -3.260) 6.467 3.081 ( 4.492 -1.659 2.474) 5.390 3.258 ( -6.276 -5.274 0.286) 8.202 3.638 ( 6.282 -5.918 3.231) 9.216 3.827 ( -2.462 0.410 -4.648) 5.275 3.979 ( -1.513 -1.620 -2.143) 3.083 4.077 ( 4.153 -4.151 0.661) 5.909 4.110 ( 0.996 -3.100 2.607) 4.171 4.668 ( 2.046 -10.206 2.098) 10.618 4.738 ( 0.998 -5.665 -1.743) 6.011 5.388 ( 4.774 2.477 -0.772) 5.433 5.603 ( 11.131 -2.220 -0.325) 11.355 6.509 ( -4.035 -5.859 -2.346) 7.491 6.746 ( 4.732 -8.166 2.953) 9.889 6.835 ( -0.168 -2.741 1.312) 3.044 6.989 ( 0.987 -0.046 2.780) 2.950 7.369 ( 0.666 3.522 -0.601) 3.634 7.559 ( 5.847 2.858 -1.955) 6.795 7.761 ( -2.421 -8.766 0.895) 9.138 8.010 ( 3.096 -5.324 -5.197) 8.059 8.223 ( -1.316 -14.433 10.963) 18.172 8.329 ( -1.334 -13.151 -11.080) 17.248 8.755 ( -4.561 9.009 -0.272) 10.102 8.912 ( 1.037 6.023 1.987) 6.427 9.525 ( -10.810 8.765 -8.096) 16.100 9.681 ( -5.304 6.493 2.948) 8.887 10.049 ( -7.461 6.546 1.463) 10.033 10.195 ( -0.858 8.539 7.771) 11.577 10.305 ( -1.305 1.612 -5.225) 5.622 10.393 ( 0.820 3.513 -2.708) 4.511 10.610 ( -2.459 0.489 1.652) 3.003 10.738 ( -2.258 -3.762 4.933) 6.602 11.115 ( 1.320 -5.181 -3.358) 6.314 11.411 ( 8.411 -9.427 -0.860) 12.663 11.783 ( -3.573 4.642 -2.844) 6.512 11.954 ( 3.632 3.319 5.045) 7.047 12.734 ( -5.977 14.227 -4.267) 16.010 12.929 ( 1.408 6.135 1.542) 6.480 13.181 ( -1.170 -6.657 0.358) 6.769 13.381 ( 4.305 -1.949 2.050) 5.151 15.402 ( -11.010 8.192 -6.447) 15.162 15.723 ( 0.580 -0.526 5.838) 5.890 15.876 ( -6.108 -5.039 9.439) 12.321 16.095 ( -0.507 6.461 9.934) 11.861 16.418 ( -8.072 4.670 -5.993) 11.086 16.590 ( -4.373 -2.219 -10.619) 11.697 16.658 ( -0.221 -2.633 1.708) 3.146 17.069 ( 5.456 6.313 -3.682) 9.120 17.382 ( 10.152 14.293 -6.994) 18.875 17.470 ( 8.594 -0.227 7.770) 11.588 18.266 ( -21.472 -12.733 -1.581) 25.013 19.352 ( 20.363 -17.611 1.683) 26.975 ======================= Grid point 228 (116/170) ======================= q-point: (-0.27 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -5.494 9.740 1.292) 11.257 1.604 ( -14.422 16.214 -3.467) 21.975 2.013 ( 11.663 4.141 -6.533) 13.995 2.252 ( 0.063 2.629 -13.143) 13.404 2.541 ( 1.079 -3.322 5.253) 6.308 2.612 ( -11.213 6.714 3.231) 13.463 2.746 ( -1.445 6.957 -3.136) 7.767 2.837 ( 4.068 -1.458 -0.213) 4.327 3.071 ( 9.850 -1.870 2.662) 10.373 3.160 ( 2.581 3.556 0.360) 4.408 3.250 ( 4.004 -8.001 1.726) 9.112 3.702 ( 3.342 -7.056 -4.930) 9.234 3.797 ( 0.430 -1.369 4.670) 4.886 4.048 ( 5.703 -0.069 5.534) 7.947 4.118 ( 0.610 -3.413 0.178) 3.472 4.205 ( 2.191 -3.415 6.412) 7.588 4.668 ( -2.168 -7.788 -1.884) 8.301 4.758 ( 0.425 -3.872 2.266) 4.506 5.516 ( 11.214 1.132 -0.765) 11.297 5.797 ( 14.047 -4.936 -2.789) 15.148 6.424 ( -1.254 -5.835 -3.801) 7.076 6.767 ( 1.803 -1.159 -2.043) 2.961 6.964 ( 5.072 -4.770 2.960) 7.566 7.010 ( -1.681 -10.075 4.084) 11.000 7.404 ( 3.415 5.113 0.292) 6.156 7.602 ( 2.876 -0.107 -3.521) 4.548 7.748 ( 1.394 -7.046 -0.741) 7.221 8.001 ( 1.191 -7.324 -3.859) 8.364 8.192 ( -2.679 -10.484 -6.053) 12.399 8.278 ( -6.405 -11.669 9.570) 16.395 8.708 ( -4.501 8.860 5.798) 11.506 8.943 ( -3.306 3.572 2.898) 5.664 9.255 ( -7.739 9.877 -6.557) 14.158 9.583 ( -7.124 4.125 -0.379) 8.241 9.924 ( -7.109 9.292 -0.781) 11.726 10.190 ( -3.588 -0.075 -4.913) 6.084 10.224 ( -3.751 7.229 0.587) 8.166 10.333 ( -2.921 0.827 -4.264) 5.234 10.631 ( 0.218 5.025 3.994) 6.423 10.740 ( -4.459 -4.068 4.883) 7.764 11.167 ( 6.195 -1.767 0.725) 6.483 11.517 ( 7.029 -8.100 -2.063) 10.921 11.715 ( -2.450 1.148 -0.804) 2.823 12.065 ( 2.652 -0.211 4.532) 5.255 12.603 ( -4.221 14.639 -3.397) 15.610 12.964 ( 1.226 5.864 1.152) 6.100 13.196 ( 1.717 -6.150 1.147) 6.487 13.456 ( 2.053 -1.243 1.389) 2.774 15.169 ( -10.928 8.411 -2.226) 13.968 15.678 ( -11.318 -0.538 2.086) 11.521 15.854 ( -3.875 -6.848 3.113) 8.461 16.157 ( -5.494 11.021 0.509) 12.325 16.283 ( 1.229 -4.617 -0.378) 4.793 16.488 ( 0.922 0.927 0.144) 1.315 16.626 ( -0.128 -3.647 -6.270) 7.255 17.097 ( 1.994 4.323 -2.495) 5.375 17.469 ( 11.086 11.797 -7.518) 17.849 17.768 ( 6.635 7.096 10.630) 14.400 17.898 ( -17.346 -12.057 2.404) 21.261 19.663 ( 17.126 -17.301 -2.408) 24.463 ======================= Grid point 229 (117/170) ======================= q-point: (-0.18 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -8.488 19.184 2.073) 21.080 1.396 ( -11.724 11.651 5.848) 17.533 2.037 ( 1.628 1.855 -7.026) 7.447 2.172 ( 7.302 5.384 -14.132) 16.793 2.466 ( -14.564 21.422 10.992) 28.139 2.580 ( 1.480 -1.981 0.604) 2.545 2.726 ( 2.316 0.293 -1.119) 2.589 2.887 ( 4.098 -1.812 -1.857) 4.850 3.184 ( 2.737 2.374 -3.145) 4.798 3.237 ( 6.359 -7.759 1.227) 10.106 3.375 ( 6.902 -6.069 -1.017) 9.247 3.745 ( 4.868 -6.978 1.395) 8.622 3.910 ( 3.081 -2.854 9.104) 10.026 4.121 ( 1.982 0.841 -2.978) 3.675 4.189 ( 2.667 -1.748 3.575) 4.791 4.305 ( 1.207 -2.772 7.960) 8.515 4.595 ( -4.674 -1.459 -0.194) 4.900 4.763 ( -1.640 -5.618 0.412) 5.867 5.712 ( 12.828 -2.157 -1.614) 13.108 5.994 ( 14.719 -8.433 -5.522) 17.840 6.395 ( 1.715 -4.268 -1.813) 4.945 6.775 ( 3.422 0.756 -4.942) 6.058 6.936 ( -3.910 -7.205 -2.388) 8.538 7.114 ( 5.285 -9.527 2.138) 11.103 7.467 ( 3.783 3.901 -0.447) 5.453 7.599 ( 0.474 -4.503 -0.324) 4.539 7.780 ( 3.458 -7.349 -3.098) 8.693 7.942 ( -1.456 -6.093 -3.903) 7.381 8.130 ( -3.383 -7.281 2.747) 8.486 8.200 ( -14.083 -6.863 4.800) 16.385 8.708 ( -4.851 5.078 7.060) 9.958 8.873 ( -7.249 5.293 8.161) 12.131 9.191 ( 1.811 7.297 1.011) 7.586 9.475 ( -4.315 6.660 -1.577) 8.091 9.830 ( -3.456 5.107 0.256) 6.172 10.042 ( -3.547 -0.844 -8.910) 9.627 10.139 ( -7.173 1.078 -1.366) 7.381 10.244 ( 0.142 3.573 -4.109) 5.447 10.666 ( -1.654 6.679 3.307) 7.635 10.698 ( -4.890 -0.541 1.937) 5.287 11.312 ( 7.459 -1.013 4.058) 8.552 11.618 ( 5.491 -5.357 0.831) 7.716 11.665 ( -2.035 -2.896 -1.144) 3.720 12.126 ( -0.274 -3.841 2.237) 4.454 12.524 ( -1.598 13.102 -2.158) 13.374 12.976 ( 0.088 8.253 -2.620) 8.659 13.266 ( 3.611 -4.554 3.483) 6.776 13.488 ( 1.486 -1.379 0.015) 2.027 14.985 ( -12.130 7.165 3.008) 14.406 15.483 ( -9.082 -0.743 -1.930) 9.314 15.819 ( -4.038 -2.819 0.977) 5.021 16.035 ( -2.544 2.681 -5.233) 6.407 16.323 ( -0.053 -8.067 3.547) 8.812 16.536 ( 1.330 -5.538 -9.459) 11.042 16.581 ( 2.775 6.751 3.899) 8.275 17.072 ( -1.007 1.820 -4.663) 5.106 17.484 ( -7.443 -0.545 -9.216) 11.859 17.596 ( 1.097 14.000 0.443) 14.050 18.164 ( 7.756 -0.104 21.703) 23.048 19.853 ( 12.054 -16.793 -7.279) 21.916 ======================= Grid point 230 (118/170) ======================= q-point: (-0.09 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -7.065 19.340 5.599) 21.337 1.339 ( -4.939 11.408 11.671) 17.052 1.989 ( 2.102 6.107 -9.051) 11.119 2.117 ( 1.447 2.178 -6.439) 6.950 2.408 ( -5.473 20.720 10.494) 23.862 2.638 ( 5.730 6.323 -2.798) 8.980 2.766 ( 0.668 -2.831 3.540) 4.582 2.958 ( 5.847 -2.121 -0.003) 6.220 3.168 ( -0.244 -2.192 -4.421) 4.940 3.325 ( 1.341 -7.780 0.776) 7.933 3.399 ( 2.147 -6.912 -4.311) 8.425 3.839 ( 1.558 -7.227 0.986) 7.458 4.065 ( 2.882 -0.892 7.573) 8.152 4.131 ( 4.145 3.290 -2.494) 5.850 4.231 ( -0.406 -3.186 3.325) 4.622 4.408 ( -1.159 2.209 6.001) 6.499 4.524 ( -3.312 0.166 2.128) 3.940 4.729 ( -1.964 -5.272 -0.406) 5.641 5.873 ( 9.038 -5.621 -3.101) 11.085 6.124 ( 8.760 -11.536 -8.084) 16.588 6.438 ( 3.307 -3.048 1.551) 4.758 6.748 ( -0.061 -1.752 -7.238) 7.447 6.852 ( 2.783 -4.962 -5.620) 7.997 7.187 ( 1.057 -6.717 -1.073) 6.884 7.511 ( 4.796 2.073 -3.967) 6.560 7.630 ( 0.993 -5.923 3.479) 6.941 7.751 ( -1.713 -4.102 -2.047) 4.894 7.903 ( -9.697 -0.384 -1.805) 9.871 7.976 ( -3.492 -5.213 0.467) 6.292 8.098 ( -5.657 -8.393 4.099) 10.920 8.772 ( 0.405 1.062 11.287) 11.344 8.899 ( -4.537 -0.589 13.405) 14.164 9.316 ( 5.997 6.269 6.441) 10.805 9.404 ( -1.617 9.984 -0.518) 10.128 9.759 ( -4.574 0.357 -4.345) 6.319 9.912 ( 0.184 -0.339 -8.140) 8.149 9.970 ( -7.681 0.566 -3.913) 8.639 10.274 ( 5.219 2.211 -0.093) 5.669 10.616 ( -4.963 3.942 0.065) 6.338 10.661 ( -3.000 5.289 1.518) 6.268 11.484 ( 5.906 0.645 3.934) 7.125 11.600 ( -3.524 -1.213 2.415) 4.442 11.735 ( 6.259 -8.598 -0.308) 10.639 12.105 ( -3.782 -5.470 0.678) 6.684 12.498 ( 0.485 10.701 -1.080) 10.766 12.896 ( -2.249 9.045 -7.689) 12.083 13.366 ( 1.213 -1.033 5.535) 5.760 13.527 ( 4.277 -1.385 -1.398) 4.709 14.835 ( -11.911 6.737 7.248) 15.485 15.379 ( -0.858 -2.725 -2.924) 4.088 15.736 ( -2.239 4.260 -4.095) 6.319 15.999 ( -0.125 -7.128 2.084) 7.427 16.356 ( -0.255 -8.003 1.749) 8.196 16.445 ( 1.735 -5.025 -10.066) 11.384 16.613 ( -2.575 3.629 -0.480) 4.475 16.918 ( -6.274 -2.893 -8.581) 11.017 17.365 ( 0.418 7.516 1.192) 7.621 17.640 ( 2.538 20.060 -2.067) 20.325 18.532 ( 5.219 -3.536 24.080) 24.891 19.893 ( 5.751 -16.031 -12.244) 20.976 ======================= Grid point 231 (119/170) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 2.310 15.437 4.554) 16.260 1.710 ( 4.250 12.324 2.822) 13.338 2.120 ( 5.149 7.230 -2.856) 9.324 2.156 ( -3.688 8.528 -4.960) 10.533 2.472 ( -1.186 -9.150 2.089) 9.460 2.689 ( 1.085 -6.733 -7.630) 10.234 2.860 ( 2.509 -2.457 -3.759) 5.144 2.945 ( -5.987 1.400 -3.013) 6.847 3.152 ( -3.765 -4.512 0.367) 5.888 3.239 ( 4.727 11.778 5.036) 13.654 3.279 ( 1.485 -7.431 4.869) 9.007 3.629 ( -2.802 -6.243 -5.007) 8.479 4.157 ( -0.123 1.381 5.286) 5.465 4.267 ( 1.409 0.337 5.834) 6.011 4.290 ( -0.170 3.402 3.723) 5.046 4.393 ( -3.594 0.836 -1.432) 3.958 4.607 ( 0.817 1.636 5.663) 5.951 4.653 ( -1.437 -0.632 4.088) 4.379 5.784 ( 2.148 -5.952 -4.888) 7.996 5.860 ( 0.716 -9.961 -7.378) 12.417 6.409 ( -0.997 -3.220 1.563) 3.715 6.507 ( -0.353 -7.137 -3.810) 8.098 6.907 ( 6.379 -0.567 -3.783) 7.438 6.968 ( -5.912 -3.500 -4.997) 8.496 7.618 ( -0.733 -1.268 0.668) 1.610 7.641 ( 5.962 -1.064 -0.945) 6.129 7.663 ( -4.673 1.767 0.859) 5.069 7.735 ( 2.191 0.144 -0.987) 2.407 7.864 ( -3.647 -5.943 2.301) 7.343 7.908 ( 2.749 -6.633 1.187) 7.278 8.916 ( -0.930 0.354 13.008) 13.046 8.984 ( 0.992 -2.228 14.341) 14.547 9.465 ( 1.103 1.811 -3.547) 4.133 9.516 ( -0.780 2.844 -3.766) 4.783 9.642 ( -0.931 1.885 -8.596) 8.850 9.726 ( -2.741 -1.573 -6.810) 7.508 10.119 ( 4.707 6.495 5.785) 9.890 10.308 ( 1.258 -2.223 -0.212) 2.563 10.652 ( -0.269 2.545 0.546) 2.617 10.686 ( -2.403 1.606 -0.816) 3.004 11.560 ( -6.975 4.644 0.792) 8.417 11.617 ( 6.957 -0.038 -0.532) 6.978 11.742 ( 8.324 -4.613 3.956) 10.307 11.857 ( -8.005 -8.475 0.082) 11.658 12.733 ( 0.767 10.420 0.209) 10.450 12.907 ( -2.182 4.258 -6.617) 8.165 13.457 ( 0.314 1.456 4.804) 5.030 13.533 ( 0.174 -1.805 0.937) 2.041 14.963 ( -1.395 8.273 5.458) 10.009 15.252 ( 1.117 -5.031 -4.699) 6.974 15.815 ( -0.252 5.961 -2.362) 6.416 15.892 ( -1.658 -2.727 7.772) 8.402 16.133 ( -0.328 -7.762 -7.808) 11.014 16.260 ( 1.877 -9.513 -2.637) 10.049 16.560 ( -5.196 4.197 -3.397) 7.493 16.735 ( 2.450 -3.611 -7.776) 8.917 17.721 ( 3.116 13.232 9.714) 16.708 17.970 ( 0.190 9.289 1.182) 9.366 18.792 ( 0.736 2.860 12.526) 12.869 19.413 ( -1.156 -18.526 -12.925) 22.619 ======================= Grid point 232 (120/170) ======================= q-point: ( 0.09 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 5.125 16.110 1.297) 16.955 1.826 ( 7.186 8.153 -3.080) 11.295 2.008 ( -4.951 10.673 -3.614) 12.307 2.203 ( 6.404 6.195 -2.027) 9.137 2.418 ( -8.022 -8.459 0.556) 11.671 2.663 ( 3.270 -12.315 -5.366) 13.825 2.759 ( -9.035 0.990 -2.672) 9.473 2.850 ( -3.439 -4.187 3.262) 6.325 3.150 ( -0.509 2.586 3.531) 4.406 3.286 ( 0.942 -0.984 -1.041) 1.715 3.421 ( 2.638 -1.649 9.943) 10.418 3.488 ( -4.225 -2.449 -7.962) 9.340 4.158 ( -8.910 3.129 0.199) 9.445 4.256 ( 1.341 -1.847 6.726) 7.103 4.312 ( -4.547 4.803 -0.709) 6.652 4.412 ( 4.090 0.794 1.129) 4.317 4.644 ( -2.689 0.288 3.711) 4.592 4.664 ( -1.976 0.733 3.069) 3.723 5.722 ( -4.096 -6.545 -2.774) 8.204 5.759 ( -3.330 -8.662 -5.822) 10.955 6.408 ( 0.007 -2.583 1.217) 2.855 6.529 ( 5.570 -6.669 -1.377) 8.797 6.761 ( -10.421 1.646 -3.806) 11.216 6.937 ( -1.179 -7.321 -0.006) 7.416 7.491 ( -5.747 1.565 -0.340) 5.966 7.625 ( -1.139 -5.378 -0.386) 5.511 7.750 ( -1.449 -0.144 -1.014) 1.775 7.849 ( -0.970 -3.357 0.950) 3.621 7.881 ( 16.359 1.643 0.555) 16.450 8.023 ( 10.198 -5.718 0.295) 11.695 9.048 ( -0.808 0.425 11.201) 11.238 9.128 ( -1.813 -1.792 7.165) 7.605 9.425 ( 2.722 -1.016 -3.658) 4.672 9.473 ( 3.682 -1.411 -9.015) 9.840 9.599 ( 1.240 4.471 0.185) 4.644 9.676 ( 4.104 1.301 -1.778) 4.658 10.219 ( -0.080 3.554 0.512) 3.591 10.293 ( 0.354 1.222 -3.018) 3.275 10.659 ( 1.418 2.856 1.035) 3.352 10.702 ( 3.283 0.847 1.556) 3.730 11.452 ( -7.223 1.946 1.290) 7.591 11.690 ( -9.711 -6.159 -1.832) 11.645 11.701 ( 4.260 1.195 -2.012) 4.861 11.921 ( 6.470 -5.299 4.490) 9.493 12.789 ( 4.039 8.710 2.616) 9.951 12.838 ( 1.869 6.799 -4.479) 8.354 13.466 ( -4.158 1.483 2.421) 5.035 13.505 ( -3.878 -1.797 0.084) 4.275 15.061 ( 4.265 5.944 5.867) 9.378 15.239 ( 4.934 -3.107 -5.948) 8.330 15.781 ( -2.424 3.263 0.448) 4.090 15.948 ( 2.807 3.176 -2.890) 5.130 16.091 ( -0.328 -8.888 4.398) 9.922 16.291 ( 5.622 -8.236 -3.727) 10.646 16.526 ( 2.355 1.676 3.792) 4.768 16.730 ( 6.562 -5.196 -7.086) 10.967 17.829 ( -2.472 15.716 4.988) 16.673 17.921 ( -2.464 14.518 -3.029) 15.034 18.926 ( -4.203 -7.073 15.601) 17.637 19.186 ( -7.083 -15.544 -14.885) 22.658 ======================= Grid point 233 (121/170) ======================= q-point: ( 0.18 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 2.151 10.257 -5.026) 11.623 1.849 ( 4.363 7.577 -8.216) 11.998 1.966 ( 0.780 7.422 2.022) 7.732 2.159 ( -8.389 3.555 -4.851) 10.322 2.389 ( 2.688 -0.366 6.233) 6.798 2.609 ( -7.643 0.111 1.064) 7.718 2.648 ( 0.878 -8.947 -2.156) 9.244 2.853 ( -4.466 -6.585 7.084) 10.654 3.144 ( -2.387 3.258 -1.527) 4.318 3.289 ( -0.041 2.007 -0.042) 2.007 3.323 ( -4.612 -2.946 -6.752) 8.691 3.546 ( -0.768 -5.578 6.723) 8.770 4.018 ( -7.201 4.870 1.487) 8.819 4.191 ( -6.207 4.254 -2.449) 7.913 4.363 ( 0.233 -5.659 7.213) 9.172 4.453 ( 3.548 -1.065 -5.513) 6.642 4.621 ( -1.319 1.991 -0.531) 2.447 4.650 ( -2.804 -1.274 1.271) 3.331 5.607 ( -7.032 -5.384 -0.284) 8.861 5.638 ( -5.644 -6.970 -2.012) 9.192 6.404 ( -2.681 0.423 -1.257) 2.991 6.600 ( -0.434 0.797 2.264) 2.439 6.665 ( 5.423 -5.229 0.560) 7.554 6.877 ( -5.465 -11.200 1.122) 12.512 7.436 ( -2.253 2.545 1.016) 3.548 7.595 ( -1.342 -6.007 -1.641) 6.370 7.689 ( -3.247 0.550 -1.330) 3.552 7.826 ( -2.020 -3.348 -0.394) 3.930 8.163 ( 13.877 0.107 -0.865) 13.904 8.214 ( 13.362 -2.312 -0.199) 13.562 9.072 ( -2.032 1.551 -4.436) 5.120 9.132 ( 0.397 -0.099 4.944) 4.961 9.448 ( 2.812 -1.134 -5.011) 5.857 9.497 ( 2.178 -2.551 1.724) 3.772 9.654 ( 4.157 5.219 1.954) 6.953 9.784 ( 6.089 0.072 2.532) 6.595 10.191 ( 3.023 4.635 -3.670) 6.640 10.263 ( -0.662 2.623 -1.192) 2.956 10.723 ( 3.798 2.038 1.006) 4.426 10.795 ( 4.377 -0.120 2.452) 5.019 11.347 ( -7.218 -1.556 0.789) 7.426 11.476 ( -11.030 -6.395 -3.047) 13.109 11.759 ( 3.787 5.638 -0.804) 6.839 12.036 ( 3.144 -5.480 1.721) 6.548 12.847 ( 4.397 9.226 -2.947) 10.636 12.927 ( 6.034 7.173 4.361) 10.338 13.371 ( -7.203 0.546 -1.712) 7.423 13.439 ( -4.287 -3.121 1.510) 5.514 15.177 ( 4.188 2.989 0.436) 5.164 15.311 ( 8.242 -2.516 0.047) 8.618 15.747 ( -3.621 5.817 3.044) 7.498 15.972 ( 4.536 2.641 -2.126) 5.663 16.172 ( 2.086 -3.492 6.470) 7.643 16.355 ( 7.465 -2.124 -4.053) 8.756 16.718 ( 12.003 -6.544 4.204) 14.303 16.799 ( 9.263 -5.924 -1.412) 11.086 17.683 ( -8.844 17.375 -7.902) 21.037 17.900 ( -3.321 13.185 2.461) 13.817 18.852 ( -11.825 -11.262 -14.295) 21.703 18.995 ( -8.980 -12.873 14.273) 21.215 ======================= Grid point 234 (122/170) ======================= q-point: ( 0.27 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 0.818 7.299 -3.692) 8.220 1.866 ( 6.142 4.931 -2.704) 8.328 1.912 ( -7.298 3.121 -2.580) 8.346 2.033 ( -3.799 6.531 0.842) 7.602 2.483 ( -3.634 -5.425 3.101) 7.228 2.530 ( -0.008 5.230 3.719) 6.418 2.676 ( 0.125 -3.931 3.429) 5.218 2.843 ( -4.136 -5.760 5.183) 8.783 3.060 ( -4.093 2.258 -2.202) 5.167 3.165 ( -5.254 -0.640 -5.015) 7.291 3.299 ( -0.522 2.774 1.002) 2.995 3.518 ( -5.762 -6.877 0.051) 8.972 3.987 ( -1.032 3.256 4.266) 5.465 4.078 ( -2.963 2.902 -3.689) 5.551 4.402 ( -3.264 -8.986 3.911) 10.329 4.410 ( 1.515 -3.534 -8.963) 9.753 4.590 ( -1.807 -1.797 -3.295) 4.165 4.612 ( 0.732 0.455 -2.648) 2.785 5.496 ( -6.291 -3.148 0.342) 7.043 5.535 ( -6.215 -4.467 1.544) 7.808 6.323 ( -3.525 2.007 -0.917) 4.159 6.650 ( 0.305 -2.488 3.068) 3.962 6.768 ( 3.456 -9.231 0.768) 9.887 6.856 ( 1.912 -4.169 3.857) 5.993 7.419 ( -2.389 2.201 2.787) 4.280 7.543 ( -2.845 -3.760 -1.042) 4.829 7.630 ( -0.987 0.398 -2.532) 2.747 7.781 ( -2.302 -3.632 -0.891) 4.391 8.253 ( 4.736 0.876 -7.274) 8.724 8.427 ( 9.745 -5.685 -2.465) 11.548 9.044 ( 4.554 5.975 -2.145) 7.812 9.233 ( 3.926 2.651 6.321) 7.899 9.380 ( 0.160 0.153 -11.100) 11.102 9.505 ( -1.840 -0.746 1.407) 2.433 9.771 ( 3.585 1.087 6.508) 7.509 9.909 ( 5.744 -0.695 2.457) 6.286 10.274 ( 7.687 3.759 0.411) 8.567 10.296 ( 4.232 5.227 3.051) 7.385 10.789 ( 3.042 1.241 0.092) 3.287 10.874 ( 3.214 -0.410 -0.519) 3.282 11.205 ( -9.191 -2.415 -2.192) 9.752 11.290 ( -8.145 -7.028 -0.817) 10.788 11.808 ( 2.711 6.532 -0.262) 7.077 12.075 ( 0.719 -4.445 0.119) 4.504 12.888 ( 3.743 10.558 -2.725) 11.529 13.053 ( 3.839 5.555 2.073) 7.064 13.224 ( -6.376 -0.399 -2.880) 7.007 13.411 ( -1.592 -4.879 2.332) 5.637 15.238 ( 4.173 4.328 -0.084) 6.013 15.480 ( 7.427 -5.336 4.887) 10.369 15.729 ( -3.916 7.053 5.319) 9.663 16.031 ( 1.238 -2.500 2.290) 3.609 16.324 ( 9.531 6.012 4.022) 11.966 16.453 ( 10.078 1.794 -4.426) 11.152 16.870 ( 10.518 -3.891 -5.178) 12.352 17.078 ( 13.105 -7.489 7.334) 16.782 17.434 ( -8.607 12.275 -6.924) 16.513 17.829 ( -5.234 7.890 -1.786) 9.636 18.476 ( -14.516 -4.732 -12.615) 19.805 18.957 ( -13.370 -16.098 11.774) 24.011 ======================= Grid point 235 (123/170) ======================= q-point: ( 0.36 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -3.512 4.264 -6.777) 8.743 1.790 ( -7.776 1.630 0.923) 7.998 1.978 ( 2.723 5.224 8.733) 10.534 2.048 ( 9.053 5.253 0.328) 10.472 2.401 ( -5.364 -1.345 1.144) 5.647 2.606 ( -1.566 2.193 3.084) 4.095 2.696 ( 0.361 -6.225 3.247) 7.030 2.820 ( -5.831 -1.844 2.927) 6.780 3.006 ( -2.315 -0.935 -1.668) 3.003 3.057 ( -1.017 2.528 1.092) 2.935 3.305 ( -0.868 5.514 3.049) 6.361 3.428 ( -4.045 -4.797 -0.052) 6.275 4.004 ( -0.507 1.201 -4.524) 4.708 4.034 ( 1.541 -0.962 1.615) 2.430 4.287 ( -1.667 -4.251 -11.442) 12.320 4.388 ( -1.336 -8.319 0.354) 8.433 4.490 ( -2.990 -2.689 -6.887) 7.975 4.579 ( -0.513 -4.068 -4.895) 6.385 5.412 ( -3.979 -0.563 0.471) 4.046 5.468 ( -4.854 -2.447 2.680) 6.061 6.288 ( -0.823 1.092 1.285) 1.877 6.633 ( -2.806 -11.269 -0.268) 11.616 6.859 ( 4.475 -0.687 2.774) 5.310 6.937 ( 1.695 -0.807 1.523) 2.417 7.434 ( -1.649 1.214 6.285) 6.610 7.491 ( -2.556 -0.042 0.504) 2.606 7.604 ( 1.021 -1.939 -1.744) 2.801 7.735 ( -1.832 -3.859 -1.020) 4.392 8.197 ( 1.206 1.712 -10.100) 10.315 8.457 ( 2.683 -9.461 -8.654) 13.100 9.102 ( 1.567 6.856 -1.997) 7.311 9.229 ( -2.070 3.693 -10.460) 11.284 9.401 ( 8.280 7.194 6.242) 12.621 9.567 ( 4.223 -2.558 7.121) 8.666 9.903 ( 1.564 -0.937 9.192) 9.371 10.032 ( 4.537 -0.452 3.846) 5.965 10.411 ( 6.779 3.111 0.667) 7.489 10.436 ( 5.399 6.317 5.427) 9.925 10.813 ( 0.442 0.579 -1.962) 2.093 10.868 ( 0.090 -0.361 -6.326) 6.337 11.043 ( -6.331 -1.584 -1.056) 6.611 11.169 ( -6.011 -8.615 -0.036) 10.505 11.845 ( 2.060 6.608 0.174) 6.923 12.074 ( -0.620 -2.533 -0.276) 2.623 12.900 ( 1.486 7.525 -2.589) 8.095 13.098 ( 1.403 2.411 -2.091) 3.486 13.128 ( -1.574 1.485 -0.499) 2.221 13.415 ( -1.428 -3.749 1.233) 4.197 15.334 ( 5.189 6.687 3.519) 9.166 15.605 ( -1.403 -3.771 6.425) 7.581 15.788 ( 3.086 2.616 8.118) 9.071 16.054 ( -1.772 -6.536 3.537) 7.640 16.494 ( 3.809 10.013 0.192) 10.715 16.631 ( 18.621 6.508 -4.422) 20.215 16.969 ( 7.994 4.500 -7.630) 11.932 17.105 ( -4.983 8.459 -3.495) 10.421 17.425 ( 0.438 -3.157 -0.110) 3.189 17.780 ( 6.954 -11.184 1.876) 13.303 18.109 ( -14.621 4.423 -8.830) 17.645 18.817 ( -16.344 -17.768 7.529) 25.289 ======================= Grid point 236 (124/170) ======================= q-point: ( 0.45 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -0.320 2.032 -4.251) 4.723 1.643 ( -5.416 -0.958 -3.368) 6.449 2.182 ( 4.319 3.932 12.754) 14.027 2.258 ( 11.332 5.662 3.357) 13.105 2.360 ( -1.341 -0.924 1.938) 2.532 2.552 ( -6.166 1.325 1.471) 6.476 2.730 ( -1.869 -4.301 2.962) 5.547 2.772 ( 0.038 -3.670 -0.068) 3.671 2.962 ( -0.738 6.274 1.657) 6.531 3.080 ( 0.797 -1.053 -2.384) 2.726 3.344 ( -2.753 2.201 4.121) 5.423 3.411 ( -0.451 0.985 8.624) 8.692 3.965 ( 0.982 -0.145 -2.869) 3.036 4.034 ( -0.469 -0.417 -6.238) 6.270 4.114 ( -2.546 -3.741 -10.570) 11.498 4.334 ( -0.533 0.332 -13.146) 13.161 4.393 ( 0.533 -12.318 0.246) 12.332 4.491 ( -2.941 -8.643 -4.095) 10.006 5.387 ( -0.030 0.558 1.198) 1.322 5.428 ( -3.042 -0.718 1.726) 3.571 6.325 ( 1.516 -0.756 3.951) 4.299 6.579 ( -2.289 -10.719 -1.532) 11.067 6.928 ( -2.849 0.273 2.140) 3.574 6.948 ( 2.784 1.571 -1.010) 3.353 7.453 ( -3.297 1.115 3.870) 5.205 7.507 ( 1.945 4.598 2.524) 5.594 7.630 ( 0.425 -6.687 2.386) 7.113 7.714 ( 1.074 -4.671 0.810) 4.861 8.093 ( 0.885 0.965 -10.622) 10.702 8.362 ( 0.372 -10.362 -11.669) 15.610 9.064 ( -1.052 5.431 -3.394) 6.490 9.095 ( -1.959 4.322 -6.778) 8.274 9.637 ( 8.149 7.800 8.046) 13.856 9.737 ( 4.128 0.060 8.337) 9.304 10.024 ( -0.599 -0.737 10.571) 10.614 10.137 ( 2.228 -0.257 5.091) 5.563 10.463 ( 0.639 3.295 -3.439) 4.806 10.562 ( 1.317 7.717 5.443) 9.535 10.730 ( -3.777 1.017 -7.851) 8.771 10.783 ( -0.545 -2.809 -3.969) 4.893 11.009 ( 2.875 -2.588 -0.184) 3.872 11.087 ( -3.905 -7.952 -0.434) 8.870 11.887 ( 1.882 6.280 1.629) 6.755 12.047 ( -1.735 0.175 -1.086) 2.055 12.900 ( 1.944 2.824 -1.547) 3.761 13.052 ( -0.690 -3.179 -4.995) 5.961 13.168 ( 3.086 6.213 2.630) 7.419 13.369 ( -4.486 -0.356 -0.802) 4.571 15.477 ( 4.809 6.258 6.010) 9.920 15.630 ( -2.776 -2.112 6.287) 7.190 15.924 ( -0.875 -0.120 8.649) 8.694 16.102 ( 2.001 -5.209 6.609) 8.649 16.447 ( -5.995 12.066 -3.410) 13.898 16.811 ( 7.990 -0.295 -11.746) 14.209 16.966 ( 8.210 8.835 -5.929) 13.439 17.134 ( 1.098 5.076 -0.211) 5.198 17.276 ( -2.871 3.909 -3.380) 5.911 17.807 ( -10.801 11.869 -7.040) 17.524 18.099 ( 18.310 -21.448 8.229) 29.377 18.594 ( -16.838 -18.161 2.666) 24.909 ======================= Grid point 237 (125/170) ======================= q-point: (-0.45 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 0.917 2.375 -2.543) 3.598 1.668 ( 12.076 -2.036 -3.901) 12.853 2.295 ( -3.093 1.374 5.629) 6.568 2.403 ( 0.683 -3.027 2.549) 4.015 2.443 ( -3.667 4.722 0.698) 6.019 2.470 ( 6.406 9.090 3.418) 11.634 2.722 ( -4.167 -3.912 2.819) 6.373 2.840 ( 6.140 -4.781 1.267) 7.884 2.985 ( 1.323 2.471 -0.501) 2.847 3.032 ( -0.323 -2.001 -4.847) 5.254 3.339 ( -3.561 6.053 7.958) 10.614 3.540 ( -0.769 3.178 10.973) 11.450 3.885 ( -0.808 0.965 -11.027) 11.098 3.973 ( 0.060 -1.783 -0.705) 1.918 4.008 ( -0.211 -2.286 -2.840) 3.652 4.156 ( 0.233 -0.209 -16.626) 16.629 4.420 ( -0.497 -9.580 -1.037) 9.649 4.454 ( 4.660 -13.991 -0.216) 14.748 5.408 ( -0.287 1.112 0.623) 1.307 5.439 ( 4.115 -0.609 1.213) 4.333 6.415 ( 2.196 -3.147 5.297) 6.541 6.524 ( -0.903 -7.328 -3.023) 7.978 6.871 ( -5.406 1.226 1.964) 5.881 6.971 ( 0.593 -0.351 -0.687) 0.973 7.449 ( -1.873 3.498 3.291) 5.155 7.568 ( 4.014 4.794 -0.761) 6.298 7.630 ( -2.573 -5.964 2.727) 7.044 7.814 ( 4.236 -8.758 6.027) 11.444 8.001 ( 1.266 -0.644 -8.660) 8.776 8.227 ( 0.146 -10.109 -12.556) 16.120 8.994 ( -3.372 5.218 -2.181) 6.585 9.025 ( -0.686 4.047 -2.322) 4.716 9.780 ( -1.256 5.008 5.403) 7.474 9.842 ( -0.690 2.603 1.487) 3.076 10.116 ( -2.078 2.161 10.179) 10.612 10.232 ( -0.416 1.041 9.196) 9.264 10.402 ( 0.833 3.207 -4.871) 5.892 10.561 ( -1.464 2.752 -10.871) 11.309 10.603 ( -4.305 1.730 5.157) 6.937 10.748 ( -1.874 0.145 -1.200) 2.230 11.030 ( -0.286 -4.971 -2.310) 5.488 11.103 ( 7.445 -6.175 -0.040) 9.673 11.942 ( 1.035 4.732 3.056) 5.728 11.990 ( -2.613 3.028 -2.250) 4.589 12.938 ( 3.675 -0.521 -0.131) 3.714 12.975 ( -1.189 -1.701 -5.433) 5.816 13.250 ( -4.091 4.070 0.656) 5.808 13.274 ( 1.086 2.868 1.585) 3.453 15.597 ( 0.903 1.850 5.288) 5.674 15.662 ( 0.035 -2.049 3.442) 4.006 15.960 ( -7.202 7.142 8.088) 12.973 16.153 ( -3.923 5.734 2.622) 7.426 16.388 ( 0.635 -2.490 6.960) 7.419 16.703 ( -2.893 -5.193 -13.547) 14.794 16.897 ( -9.502 3.880 -5.191) 11.501 17.050 ( 4.080 -2.400 -5.620) 7.348 17.479 ( 10.344 18.753 5.369) 22.079 17.617 ( 1.773 14.110 -7.645) 16.145 18.280 ( -15.902 -17.328 0.869) 23.535 18.545 ( 19.100 -22.155 4.201) 29.552 ======================= Grid point 238 (126/170) ======================= q-point: (-0.36 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 7.628 6.862 -2.099) 10.473 1.877 ( 16.301 -2.282 -3.882) 16.912 2.206 ( -10.929 12.597 -4.687) 17.323 2.341 ( 0.289 0.632 4.223) 4.280 2.489 ( -0.565 -1.155 -5.985) 6.122 2.602 ( 4.234 0.931 3.876) 5.815 2.658 ( -2.327 -5.567 2.283) 6.452 2.893 ( 2.263 -1.473 -3.378) 4.325 2.993 ( 2.234 -4.750 0.448) 5.268 3.041 ( 2.130 -1.149 0.812) 2.552 3.369 ( -7.080 12.817 9.036) 17.206 3.595 ( 1.114 1.506 -0.086) 1.875 3.810 ( -0.961 -1.218 -2.860) 3.254 3.957 ( 1.695 -2.736 1.313) 3.476 4.012 ( 2.265 1.103 -7.359) 7.778 4.085 ( 4.947 0.754 2.446) 5.570 4.421 ( 1.527 -11.362 -0.190) 11.466 4.545 ( 5.479 -12.478 -0.073) 13.628 5.440 ( 4.288 2.305 -0.305) 4.878 5.546 ( 7.587 -3.027 0.115) 8.170 6.421 ( -2.025 -1.922 -3.116) 4.184 6.563 ( 4.608 -8.060 3.015) 9.761 6.815 ( -3.855 0.907 2.607) 4.742 6.955 ( -2.503 -3.351 0.809) 4.260 7.468 ( 0.769 4.912 1.767) 5.277 7.619 ( 3.536 -1.050 -1.726) 4.073 7.626 ( -1.846 0.407 2.850) 3.420 7.918 ( 5.044 -4.847 -7.339) 10.139 7.972 ( -1.268 -7.643 8.581) 11.561 8.097 ( 0.177 -8.776 -10.444) 13.643 8.919 ( -4.505 6.231 0.849) 7.736 9.002 ( -1.628 2.315 1.483) 3.196 9.685 ( -9.537 6.188 -5.185) 12.495 9.767 ( -6.837 1.969 -0.053) 7.115 10.139 ( -6.263 3.537 5.452) 9.026 10.316 ( -2.936 -0.141 6.014) 6.694 10.382 ( 0.567 5.382 -8.107) 9.747 10.456 ( 1.481 3.540 -1.143) 4.004 10.611 ( -1.733 -0.963 6.319) 6.622 10.669 ( -5.061 -2.130 -0.536) 5.517 11.050 ( 5.596 -0.539 -1.982) 5.961 11.227 ( 7.842 -7.673 -1.135) 11.030 11.894 ( -4.224 5.348 -2.277) 7.185 12.001 ( 0.397 0.969 3.118) 3.289 12.906 ( -0.577 1.730 -3.879) 4.286 13.008 ( 4.183 -2.994 0.430) 5.162 13.134 ( -5.831 7.558 -0.054) 9.546 13.361 ( 2.425 -0.848 3.030) 3.973 15.591 ( -3.396 7.266 -4.040) 8.981 15.697 ( -0.529 -1.573 1.509) 2.243 15.842 ( -13.963 3.547 10.012) 17.544 16.174 ( -2.998 -0.398 3.822) 4.874 16.447 ( -2.220 -3.045 2.013) 4.273 16.512 ( -2.971 -2.426 -5.704) 6.874 16.719 ( -6.514 8.062 -1.274) 10.442 17.079 ( 2.597 -4.734 1.810) 5.695 17.462 ( 1.405 5.523 -7.600) 9.499 17.844 ( 13.665 16.680 -0.197) 21.564 17.995 ( -12.069 -6.520 -1.387) 13.787 18.924 ( 19.867 -22.789 2.663) 30.350 ======================= Grid point 239 (127/170) ======================= q-point: (-0.27 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 4.121 12.352 -0.745) 13.043 1.931 ( -10.580 12.592 -5.903) 17.474 2.071 ( 9.100 1.159 -6.922) 11.492 2.303 ( -2.133 -0.397 -10.417) 10.641 2.457 ( 4.491 -1.616 5.015) 6.923 2.637 ( -0.192 3.606 0.673) 3.673 2.753 ( 5.286 -7.113 1.627) 9.010 2.940 ( 4.440 1.832 -0.131) 4.804 3.034 ( 1.105 -3.800 -1.165) 4.126 3.095 ( 3.915 -2.942 4.729) 6.807 3.317 ( -5.316 10.681 1.508) 12.026 3.574 ( 1.245 -4.113 -6.067) 7.435 3.785 ( -0.624 0.554 3.803) 3.894 4.012 ( 1.325 -6.964 3.603) 7.951 4.099 ( 7.140 5.295 4.613) 10.015 4.195 ( 3.102 3.290 3.246) 5.566 4.462 ( 2.326 -9.812 1.621) 10.214 4.616 ( 2.907 -10.579 -0.399) 10.978 5.541 ( 8.693 1.357 -1.583) 8.940 5.682 ( 9.865 -5.560 -2.281) 11.552 6.360 ( -0.548 0.486 -2.755) 2.851 6.664 ( 3.894 -10.558 1.423) 11.343 6.812 ( 0.119 -1.382 1.933) 2.379 6.915 ( -2.798 -3.869 1.030) 4.884 7.512 ( 2.127 3.213 1.244) 4.049 7.601 ( -2.562 1.937 -0.276) 3.224 7.656 ( 3.590 -1.636 -3.148) 5.047 7.876 ( 2.065 -5.155 -9.072) 10.637 8.011 ( -1.387 -6.255 0.766) 6.452 8.069 ( -2.695 -7.937 8.265) 11.771 8.870 ( -6.115 6.285 5.758) 10.490 8.989 ( -4.695 0.633 4.127) 6.283 9.456 ( -7.731 8.855 -5.822) 13.118 9.631 ( -6.188 0.575 -2.783) 6.810 10.057 ( -6.425 3.229 -0.637) 7.218 10.204 ( -5.623 -1.566 -7.038) 9.143 10.294 ( -5.003 4.102 -2.643) 6.988 10.430 ( -6.027 5.939 -0.757) 8.495 10.644 ( 0.269 -3.801 4.867) 6.181 10.695 ( 0.681 0.159 6.104) 6.144 11.155 ( 8.091 0.946 -0.328) 8.153 11.337 ( 7.897 -7.679 -2.225) 11.238 11.804 ( -4.254 5.864 -0.894) 7.300 12.026 ( -1.327 -3.360 2.571) 4.433 12.858 ( -1.640 8.273 -2.299) 8.742 13.074 ( 2.922 -5.258 1.183) 6.131 13.100 ( 0.912 8.083 1.603) 8.291 13.410 ( 0.434 -3.599 1.742) 4.022 15.404 ( -8.903 12.796 -7.257) 17.195 15.654 ( -9.138 -1.517 1.459) 9.377 15.762 ( -7.874 -1.447 8.005) 11.321 16.101 ( -3.657 -10.970 0.899) 11.599 16.354 ( -6.793 5.307 -7.173) 11.214 16.483 ( 0.410 -2.473 -0.581) 2.573 16.682 ( 0.220 10.619 4.799) 11.655 17.144 ( -0.144 -1.636 2.143) 2.700 17.473 ( 5.597 -3.968 1.674) 7.062 17.648 ( -11.624 -10.181 -8.680) 17.723 18.187 ( 14.383 25.677 3.627) 29.653 19.241 ( 16.746 -22.585 -1.019) 28.134 ======================= Grid point 240 (128/170) ======================= q-point: (-0.18 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -7.218 12.148 0.047) 14.131 1.758 ( -3.599 18.757 -2.576) 19.272 2.025 ( -0.610 -2.847 -4.774) 5.592 2.286 ( 6.806 0.988 -7.570) 10.228 2.530 ( -1.021 0.396 0.112) 1.101 2.693 ( 6.423 6.539 0.941) 9.215 2.832 ( 4.169 -4.170 -1.749) 6.151 2.955 ( -0.711 9.932 2.009) 10.158 3.057 ( 2.214 -4.611 -1.646) 5.373 3.212 ( 3.494 -4.088 -4.731) 7.163 3.265 ( 0.594 0.324 1.501) 1.647 3.565 ( 3.186 -9.279 0.623) 9.831 3.892 ( 2.177 1.502 11.765) 12.059 4.089 ( 0.978 -5.424 6.374) 8.426 4.206 ( 3.476 5.717 -4.226) 7.914 4.313 ( 4.577 3.530 9.002) 10.698 4.518 ( 0.786 -4.725 2.361) 5.340 4.626 ( -0.439 -8.689 -0.770) 8.734 5.670 ( 9.573 -1.318 -3.562) 10.299 5.809 ( 9.828 -8.265 -4.850) 13.727 6.352 ( 1.219 1.024 0.093) 1.595 6.698 ( -1.413 -11.237 -0.727) 11.348 6.825 ( 2.904 0.102 -3.631) 4.651 6.938 ( 4.662 -5.633 0.432) 7.325 7.534 ( -0.421 -1.179 -0.614) 1.394 7.562 ( 0.408 3.124 -2.603) 4.087 7.670 ( 3.118 -1.871 -2.664) 4.508 7.829 ( 1.180 -5.220 -2.440) 5.881 8.004 ( -4.195 -4.068 4.142) 7.162 8.062 ( -9.217 -5.837 6.527) 12.713 8.814 ( -8.818 4.659 6.591) 11.954 8.925 ( -9.304 0.104 6.864) 11.562 9.370 ( 1.918 8.959 -0.493) 9.175 9.555 ( 0.188 1.327 -1.486) 2.001 9.923 ( -5.658 2.529 -4.772) 7.822 10.026 ( -5.069 -1.932 -7.986) 9.654 10.161 ( -7.308 3.623 -1.855) 8.365 10.317 ( -4.289 1.401 -1.852) 4.877 10.684 ( -1.733 0.370 3.306) 3.751 10.749 ( -1.218 0.679 3.750) 4.001 11.302 ( 8.755 0.581 1.466) 8.896 11.449 ( 8.412 -6.882 -1.636) 10.991 11.733 ( -4.365 5.565 0.596) 7.097 12.014 ( -3.118 -6.478 1.730) 7.395 12.799 ( -2.689 12.189 -1.382) 12.558 13.104 ( 0.490 0.713 -2.786) 2.917 13.198 ( 5.471 1.275 5.576) 7.915 13.432 ( 1.031 -4.122 1.237) 4.425 15.181 ( -10.905 10.420 -2.463) 15.283 15.457 ( -9.812 -2.255 -3.169) 10.555 15.762 ( -4.663 0.008 8.666) 9.841 16.067 ( -6.289 -7.071 2.288) 9.736 16.193 ( 0.007 1.754 -7.228) 7.438 16.415 ( -0.284 -5.773 -8.497) 10.277 16.752 ( -0.771 9.218 2.931) 9.703 17.076 ( -6.897 -2.622 -5.043) 8.937 17.450 ( -1.316 0.143 -1.964) 2.369 17.664 ( 6.468 -5.810 10.929) 13.965 18.437 ( 10.646 22.850 3.777) 25.490 19.444 ( 11.723 -21.880 -5.280) 25.378 ======================= Grid point 241 (129/170) ======================= q-point: (-0.09 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -2.711 12.333 5.270) 13.683 1.686 ( -1.826 17.119 -1.107) 17.252 2.038 ( 3.061 0.257 1.954) 3.641 2.267 ( 1.596 8.429 -8.786) 12.279 2.481 ( -2.139 -5.259 -0.517) 5.700 2.781 ( 1.504 4.601 -7.501) 8.927 2.820 ( 4.450 -1.800 -2.847) 5.581 3.022 ( 0.892 -5.132 -1.270) 5.362 3.077 ( 3.541 13.680 5.712) 15.241 3.221 ( 2.258 -6.277 0.175) 6.673 3.241 ( -2.919 -4.805 -2.655) 6.218 3.654 ( 2.409 -9.910 1.707) 10.340 4.081 ( 2.401 2.059 12.749) 13.136 4.148 ( -0.902 -0.921 3.040) 3.302 4.232 ( 4.577 3.858 0.193) 5.990 4.472 ( -0.370 2.467 5.180) 5.749 4.509 ( 0.467 -1.555 0.642) 1.746 4.626 ( -0.607 -4.415 3.065) 5.409 5.762 ( 7.004 -4.073 -4.956) 9.497 5.883 ( 6.296 -10.237 -6.683) 13.751 6.387 ( 0.915 -0.914 2.003) 2.384 6.608 ( -4.903 -8.856 -3.745) 10.793 6.850 ( 7.337 2.042 -7.164) 10.456 7.019 ( 4.685 -7.367 -2.896) 9.198 7.544 ( 2.886 -0.410 -1.118) 3.122 7.556 ( 2.983 -0.708 -0.020) 3.066 7.709 ( 1.428 0.581 0.793) 1.733 7.850 ( 1.622 -4.914 1.057) 5.281 7.893 ( -15.333 -2.032 2.214) 15.625 7.946 ( -6.884 -5.727 1.925) 9.160 8.804 ( -2.454 1.949 10.106) 10.581 8.880 ( -6.669 -1.285 10.966) 12.898 9.445 ( 3.361 6.246 1.273) 7.206 9.554 ( 0.655 3.904 -1.838) 4.364 9.774 ( -3.816 0.996 -7.315) 8.311 9.868 ( -3.833 -3.160 -7.497) 8.993 10.052 ( -2.854 6.099 0.616) 6.762 10.277 ( 0.639 -2.227 0.371) 2.346 10.669 ( -2.277 2.426 0.884) 3.443 10.738 ( -3.064 0.977 1.024) 3.375 11.472 ( 8.565 -0.291 2.538) 8.937 11.578 ( 8.129 -4.983 -0.162) 9.536 11.662 ( -5.288 4.753 0.837) 7.159 11.960 ( -5.305 -7.817 1.029) 9.503 12.748 ( -1.691 12.116 -0.883) 12.266 13.030 ( -2.923 2.206 -5.978) 7.010 13.355 ( 4.386 0.797 6.068) 7.530 13.485 ( 3.031 -2.752 1.515) 4.365 15.007 ( -8.942 9.004 2.226) 12.884 15.311 ( -3.296 -4.312 -3.391) 6.400 15.792 ( -3.085 1.738 8.339) 9.060 15.942 ( -4.845 0.867 -3.981) 6.330 16.179 ( 0.991 -7.298 -1.258) 7.471 16.314 ( 0.810 -7.076 -9.825) 12.135 16.700 ( -4.131 4.211 -3.878) 7.060 16.856 ( -6.559 -3.154 -8.776) 11.401 17.544 ( 5.010 9.444 8.035) 13.373 17.874 ( 4.117 0.044 8.990) 9.888 18.630 ( 5.694 14.882 6.977) 17.395 19.505 ( 5.448 -20.572 -9.476) 23.295 ======================= Grid point 242 (130/170) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 4.333 -2.755 1.940) 5.489 1.852 ( 4.333 2.756 1.940) 5.490 2.241 ( 1.003 -9.615 3.565) 10.304 2.241 ( 1.003 9.616 3.565) 10.304 2.444 ( -1.782 -13.644 -10.426) 17.264 2.444 ( -1.782 13.644 -10.426) 17.264 2.904 ( -2.410 -4.612 -5.191) 7.350 2.904 ( -2.410 4.612 -5.191) 7.350 3.141 ( 0.534 -4.434 3.869) 5.909 3.141 ( 0.534 4.434 3.869) 5.909 3.476 ( 0.439 -9.229 0.319) 9.244 3.476 ( 0.439 9.229 0.319) 9.245 4.229 ( -0.993 -3.848 5.366) 6.677 4.229 ( -0.993 3.848 5.365) 6.677 4.362 ( -0.302 -3.129 2.799) 4.209 4.362 ( -0.302 3.130 2.799) 4.209 4.641 ( -0.472 -1.190 5.409) 5.559 4.641 ( -0.472 1.190 5.409) 5.558 5.730 ( 1.496 -1.706 -6.478) 6.864 5.730 ( 1.496 1.707 -6.478) 6.864 6.395 ( -0.640 -2.585 -1.323) 2.974 6.395 ( -0.640 2.585 -1.323) 2.974 6.916 ( 0.536 -1.434 -4.245) 4.512 6.916 ( 0.536 1.434 -4.245) 4.512 7.615 ( -1.388 -1.020 0.381) 1.764 7.615 ( -1.388 1.021 0.381) 1.764 7.714 ( 1.739 -2.310 -0.263) 2.903 7.714 ( 1.739 2.310 -0.263) 2.903 7.814 ( 0.146 -1.477 1.695) 2.253 7.814 ( 0.146 1.477 1.695) 2.254 8.941 ( -0.376 -1.821 13.711) 13.836 8.941 ( -0.376 1.821 13.711) 13.836 9.514 ( -0.231 -2.245 -7.061) 7.413 9.514 ( -0.231 2.245 -7.061) 7.413 9.688 ( -1.025 -2.141 -5.609) 6.091 9.688 ( -1.025 2.141 -5.609) 6.091 10.236 ( 2.672 -4.607 3.214) 6.221 10.236 ( 2.672 4.607 3.214) 6.221 10.688 ( -1.146 -0.997 -0.339) 1.556 10.688 ( -1.146 0.997 -0.339) 1.556 11.652 ( 6.827 -2.341 0.452) 7.232 11.652 ( 6.828 2.341 0.452) 7.232 11.692 ( -6.425 -6.368 1.285) 9.137 11.692 ( -6.425 6.368 1.285) 9.137 12.903 ( -0.904 -4.763 -2.426) 5.421 12.903 ( -0.904 4.763 -2.426) 5.421 13.492 ( 0.256 -1.994 3.222) 3.798 13.492 ( 0.256 1.994 3.222) 3.798 15.125 ( -0.054 -7.018 -0.003) 7.019 15.125 ( -0.054 7.018 -0.003) 7.019 15.896 ( -2.252 -2.271 5.083) 6.005 15.896 ( -2.252 2.271 5.083) 6.005 16.078 ( 1.685 -5.756 -7.876) 9.900 16.078 ( 1.685 5.756 -7.876) 9.900 16.651 ( -1.514 -4.326 -5.605) 7.241 16.651 ( -1.514 4.326 -5.605) 7.241 17.958 ( 2.831 -8.199 10.756) 13.818 17.958 ( 2.831 8.199 10.756) 13.818 19.026 ( -0.971 -17.129 -5.292) 17.954 19.026 ( -0.971 17.129 -5.292) 17.954 ======================= Grid point 244 (131/170) ======================= q-point: ( 0.09 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 5.307 -0.255 -2.782) 5.997 1.942 ( 5.307 0.256 -2.782) 5.997 2.208 ( -5.785 -10.122 -0.658) 11.677 2.208 ( -5.785 10.122 -0.658) 11.677 2.396 ( 4.098 -12.046 -2.604) 12.988 2.396 ( 4.098 12.046 -2.604) 12.988 2.784 ( -6.877 -1.796 -0.360) 7.116 2.784 ( -6.877 1.796 -0.360) 7.116 3.199 ( 0.994 -3.605 2.695) 4.609 3.199 ( 0.994 3.605 2.695) 4.609 3.458 ( -1.245 -1.894 -0.859) 2.424 3.458 ( -1.245 1.894 -0.859) 2.424 4.221 ( -4.442 -2.295 2.414) 5.552 4.221 ( -4.442 2.295 2.414) 5.552 4.394 ( 0.080 -2.672 1.261) 2.955 4.394 ( 0.080 2.672 1.261) 2.955 4.662 ( -3.423 -0.858 4.478) 5.701 4.662 ( -3.423 0.858 4.478) 5.701 5.651 ( -3.005 -0.772 -4.630) 5.573 5.651 ( -3.005 0.772 -4.630) 5.573 6.411 ( 3.546 -3.289 -0.168) 4.839 6.411 ( 3.546 3.289 -0.168) 4.840 6.823 ( -6.639 -4.036 -2.026) 8.030 6.823 ( -6.639 4.036 -2.026) 8.030 7.532 ( -4.037 -3.024 0.411) 5.061 7.532 ( -4.037 3.024 0.411) 5.061 7.780 ( -0.372 -2.790 -0.695) 2.899 7.780 ( -0.372 2.790 -0.695) 2.899 7.932 ( 13.825 -3.131 0.816) 14.199 7.932 ( 13.825 3.131 0.816) 14.199 9.082 ( -1.087 -2.405 10.429) 10.758 9.082 ( -1.087 2.405 10.429) 10.758 9.432 ( 2.371 -1.714 -8.027) 8.543 9.432 ( 2.371 1.714 -8.027) 8.543 9.673 ( 3.657 -1.968 -1.021) 4.277 9.673 ( 3.657 1.968 -1.021) 4.277 10.280 ( 0.314 -2.131 -0.713) 2.269 10.280 ( 0.314 2.131 -0.713) 2.269 10.698 ( 2.237 -1.058 0.847) 2.615 10.698 ( 2.237 1.058 0.847) 2.615 11.538 ( -9.160 -5.960 -0.817) 10.959 11.538 ( -9.160 5.960 -0.817) 10.959 11.801 ( 6.494 -5.735 1.418) 8.779 11.801 ( 6.494 5.735 1.418) 8.779 12.901 ( 2.875 -1.337 -0.339) 3.189 12.901 ( 2.875 1.337 -0.339) 3.189 13.482 ( -4.556 -0.515 1.362) 4.782 13.482 ( -4.556 0.515 1.362) 4.783 15.164 ( 4.192 -4.048 -0.251) 5.833 15.164 ( 4.192 4.048 -0.251) 5.833 15.901 ( -0.685 -7.859 0.486) 7.904 15.901 ( -0.685 7.859 0.486) 7.904 16.092 ( 5.942 -9.056 -0.317) 10.836 16.092 ( 5.942 9.056 -0.317) 10.836 16.614 ( 2.582 -5.501 -2.481) 6.563 16.614 ( 2.582 5.501 -2.481) 6.563 18.055 ( -1.444 -3.523 3.487) 5.163 18.055 ( -1.444 3.523 3.487) 5.163 18.916 ( -6.548 -7.720 -2.346) 10.391 18.916 ( -6.548 7.720 -2.346) 10.391 ======================= Grid point 246 (132/170) ======================= q-point: ( 0.18 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 1.281 -1.331 -7.482) 7.707 1.929 ( 1.280 1.331 -7.482) 7.707 2.124 ( -5.114 -7.158 0.695) 8.825 2.124 ( -5.114 7.158 0.695) 8.825 2.442 ( 3.083 -8.402 0.133) 8.950 2.442 ( 3.083 8.402 0.133) 8.950 2.712 ( -5.307 -6.538 5.811) 10.231 2.712 ( -5.307 6.538 5.811) 10.231 3.197 ( -1.443 -4.328 -2.788) 5.346 3.197 ( -1.443 4.328 -2.788) 5.346 3.431 ( -2.364 -6.089 0.795) 6.580 3.431 ( -2.364 6.089 0.795) 6.580 4.159 ( -6.448 -7.089 3.831) 10.321 4.159 ( -6.448 7.089 3.831) 10.321 4.374 ( -1.187 -5.526 -3.027) 6.411 4.374 ( -1.187 5.526 -3.027) 6.411 4.641 ( -1.919 -0.264 0.082) 1.939 4.641 ( -1.919 0.264 0.082) 1.939 5.548 ( -5.073 -0.709 -0.970) 5.214 5.548 ( -5.073 0.709 -0.970) 5.214 6.474 ( 2.232 -6.542 -0.461) 6.928 6.474 ( 2.232 6.542 -0.461) 6.928 6.715 ( -3.608 -5.467 1.954) 6.835 6.715 ( -3.608 5.467 1.954) 6.835 7.494 ( -1.725 -3.530 0.228) 3.936 7.494 ( -1.725 3.530 0.228) 3.936 7.743 ( -2.053 -3.976 -1.218) 4.638 7.743 ( -2.053 3.976 -1.218) 4.638 8.176 ( 13.735 -1.345 -0.994) 13.836 8.176 ( 13.735 1.345 -0.993) 13.836 9.115 ( 0.143 -1.804 0.371) 1.847 9.115 ( 0.143 1.804 0.371) 1.847 9.441 ( 2.086 -1.420 0.182) 2.530 9.441 ( 2.086 1.420 0.181) 2.530 9.755 ( 5.328 -3.300 0.485) 6.286 9.755 ( 5.328 3.300 0.485) 6.286 10.267 ( 1.816 -2.111 -1.814) 3.323 10.267 ( 1.816 2.111 -1.814) 3.323 10.765 ( 3.570 -2.032 1.427) 4.348 10.765 ( 3.570 2.032 1.427) 4.348 11.370 ( -9.459 -3.365 -1.286) 10.122 11.370 ( -9.459 3.366 -1.286) 10.122 11.900 ( 4.283 -7.102 0.177) 8.295 11.900 ( 4.283 7.102 0.177) 8.296 12.980 ( 5.344 -2.468 0.956) 5.963 12.980 ( 5.344 2.468 0.956) 5.963 13.387 ( -6.839 -1.668 -0.245) 7.044 13.387 ( -6.839 1.668 -0.245) 7.044 15.244 ( 5.417 -3.423 0.304) 6.415 15.244 ( 5.417 3.423 0.304) 6.415 15.902 ( -1.409 -7.551 2.484) 8.073 15.902 ( -1.409 7.551 2.484) 8.073 16.242 ( 12.447 -7.488 -1.231) 14.578 16.242 ( 12.447 7.488 -1.231) 14.578 16.688 ( 6.431 -3.322 2.560) 7.678 16.688 ( 6.431 3.322 2.560) 7.678 17.977 ( -6.011 -7.501 -6.268) 11.476 17.977 ( -6.011 7.501 -6.268) 11.476 18.774 ( -10.733 -5.529 2.885) 12.413 18.774 ( -10.733 5.529 2.885) 12.413 ======================= Grid point 248 (133/170) ======================= q-point: ( 0.27 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 0.296 -3.246 -2.858) 4.335 1.883 ( 0.297 3.247 -2.858) 4.335 2.026 ( -5.413 -6.129 -0.556) 8.196 2.026 ( -5.413 6.130 -0.556) 8.196 2.501 ( 1.019 -5.846 2.706) 6.522 2.501 ( 1.019 5.847 2.706) 6.522 2.706 ( -3.847 -6.228 5.543) 9.182 2.706 ( -3.847 6.228 5.543) 9.182 3.116 ( -2.915 -3.846 -3.402) 5.904 3.116 ( -2.915 3.846 -3.402) 5.904 3.389 ( -2.612 -5.450 0.034) 6.044 3.389 ( -2.612 5.451 0.034) 6.044 4.106 ( -3.932 -4.679 1.756) 6.359 4.106 ( -3.932 4.679 1.756) 6.359 4.302 ( -4.012 -3.111 -1.449) 5.280 4.302 ( -4.012 3.111 -1.449) 5.280 4.598 ( 0.599 -1.422 -6.284) 6.471 4.598 ( 0.599 1.423 -6.284) 6.471 5.468 ( -4.861 -1.086 1.426) 5.181 5.468 ( -4.861 1.086 1.426) 5.181 6.443 ( -3.150 -9.565 -0.873) 10.108 6.443 ( -3.150 9.565 -0.873) 10.108 6.780 ( 4.640 -3.638 4.523) 7.431 6.780 ( 4.640 3.638 4.523) 7.431 7.467 ( -2.183 -2.921 0.924) 3.762 7.467 ( -2.183 2.921 0.924) 3.762 7.695 ( -1.472 -4.376 -1.955) 5.014 7.695 ( -1.472 4.377 -1.955) 5.014 8.313 ( 6.827 -4.562 -6.050) 10.199 8.313 ( 6.827 4.563 -6.050) 10.200 9.177 ( 6.969 -6.050 0.124) 9.230 9.177 ( 6.969 6.050 0.124) 9.230 9.441 ( -2.155 -4.557 0.460) 5.062 9.441 ( -2.155 4.557 0.460) 5.062 9.848 ( 4.291 -4.492 2.459) 6.681 9.848 ( 4.291 4.492 2.459) 6.681 10.338 ( 6.264 -1.272 2.000) 6.697 10.338 ( 6.264 1.272 2.000) 6.697 10.830 ( 2.835 -2.714 -0.057) 3.925 10.830 ( 2.835 2.714 -0.057) 3.926 11.199 ( -8.882 -1.911 -1.769) 9.256 11.199 ( -8.882 1.912 -1.769) 9.256 11.953 ( 2.484 -6.813 -0.388) 7.262 11.953 ( 2.484 6.813 -0.388) 7.263 13.055 ( 2.468 -4.935 -1.757) 5.790 13.055 ( 2.468 4.935 -1.757) 5.791 13.290 ( -3.690 -6.049 0.928) 7.146 13.290 ( -3.690 6.049 0.928) 7.146 15.354 ( 5.416 -6.240 3.281) 8.890 15.354 ( 5.416 6.240 3.281) 8.890 15.900 ( -2.964 -8.292 3.660) 9.537 15.900 ( -2.964 8.293 3.660) 9.537 16.455 ( 16.566 -3.062 -5.049) 17.586 16.455 ( 16.566 3.062 -5.049) 17.586 16.883 ( 9.690 -6.673 7.933) 14.190 16.883 ( 9.690 6.673 7.933) 14.190 17.738 ( -9.193 -13.271 -12.299) 20.295 17.738 ( -9.193 13.271 -12.299) 20.295 18.618 ( -13.701 -14.868 5.013) 20.830 18.618 ( -13.701 14.868 5.013) 20.830 ======================= Grid point 250 (134/170) ======================= q-point: ( 0.36 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -7.820 -3.303 -3.870) 9.329 1.779 ( -7.820 3.303 -3.870) 9.329 2.057 ( 5.120 -2.592 6.106) 8.379 2.057 ( 5.120 2.592 6.106) 8.380 2.508 ( -2.326 -9.547 1.433) 9.931 2.508 ( -2.326 9.548 1.433) 9.931 2.704 ( -2.840 -6.613 3.288) 7.913 2.704 ( -2.840 6.613 3.288) 7.913 3.058 ( -0.702 -3.106 -0.857) 3.298 3.058 ( -0.702 3.106 -0.857) 3.298 3.369 ( -1.227 -1.585 2.440) 3.158 3.369 ( -1.227 1.585 2.440) 3.158 4.058 ( -1.461 -0.718 -2.449) 2.940 4.058 ( -1.461 0.718 -2.449) 2.940 4.221 ( -4.685 -2.819 0.310) 5.476 4.221 ( -4.685 2.819 0.309) 5.476 4.509 ( 0.328 -2.702 -11.184) 11.511 4.509 ( 0.328 2.702 -11.184) 11.511 5.419 ( -3.421 -1.564 2.092) 4.304 5.419 ( -3.421 1.564 2.092) 4.304 6.393 ( -1.989 -8.993 0.181) 9.212 6.393 ( -1.989 8.993 0.181) 9.212 6.902 ( 4.066 -2.502 2.694) 5.482 6.902 ( 4.066 2.502 2.694) 5.482 7.455 ( -2.257 -1.820 4.156) 5.068 7.455 ( -2.257 1.821 4.156) 5.068 7.654 ( -0.396 -4.077 -2.478) 4.788 7.654 ( -0.396 4.077 -2.478) 4.788 8.286 ( 2.058 -6.525 -10.298) 12.363 8.286 ( 2.058 6.525 -10.298) 12.364 9.221 ( 0.569 -3.966 -6.828) 7.917 9.221 ( 0.569 3.966 -6.828) 7.917 9.508 ( 6.000 -3.677 8.743) 11.223 9.508 ( 6.000 3.677 8.742) 11.223 9.957 ( 2.880 -4.926 5.974) 8.261 9.957 ( 2.880 4.927 5.974) 8.262 10.482 ( 6.002 -2.084 3.769) 7.388 10.482 ( 6.002 2.084 3.769) 7.388 10.837 ( 0.225 -2.269 -4.417) 4.971 10.837 ( 0.225 2.269 -4.417) 4.971 11.051 ( -6.331 -2.740 -0.807) 6.946 11.051 ( -6.331 2.740 -0.807) 6.946 11.982 ( 1.484 -5.899 -0.046) 6.083 11.982 ( 1.484 5.899 -0.046) 6.083 13.017 ( -1.271 -4.663 -4.154) 6.373 13.017 ( -1.271 4.663 -4.154) 6.373 13.292 ( 0.468 -7.794 1.891) 8.034 13.292 ( 0.468 7.794 1.891) 8.034 15.487 ( 3.418 -7.127 6.314) 10.116 15.487 ( 3.417 7.127 6.314) 10.116 15.901 ( -1.599 -7.264 4.490) 8.688 15.901 ( -1.599 7.264 4.490) 8.688 16.645 ( 13.487 -4.511 -7.307) 15.989 16.645 ( 13.487 4.512 -7.307) 15.989 17.160 ( 10.250 -10.860 7.363) 16.650 17.160 ( 10.250 10.860 7.363) 16.650 17.446 ( -6.589 -14.064 -10.862) 18.953 17.446 ( -6.589 14.064 -10.862) 18.953 18.424 ( -15.232 -19.009 3.301) 24.582 18.424 ( -15.232 19.009 3.301) 24.582 ======================= Grid point 252 (135/170) ======================= q-point: ( 0.45 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -3.352 -1.520 -4.563) 5.863 1.623 ( -3.352 1.520 -4.563) 5.863 2.230 ( 3.325 -2.150 7.803) 8.750 2.230 ( 3.325 2.150 7.803) 8.750 2.521 ( 2.757 -9.215 3.556) 10.255 2.521 ( 2.757 9.215 3.555) 10.255 2.673 ( -3.375 -4.831 0.831) 5.951 2.673 ( -3.375 4.831 0.831) 5.951 3.051 ( 0.444 -2.833 -2.186) 3.605 3.051 ( 0.444 2.833 -2.186) 3.606 3.407 ( -1.248 -3.140 8.371) 9.027 3.407 ( -1.248 3.141 8.371) 9.027 4.003 ( -1.394 -3.337 -3.073) 4.746 4.003 ( -1.394 3.337 -3.073) 4.746 4.152 ( -1.363 -8.783 -4.250) 9.852 4.152 ( -1.363 8.783 -4.250) 9.852 4.369 ( -0.624 -3.397 -11.551) 12.056 4.369 ( -0.624 3.397 -11.551) 12.056 5.403 ( -1.259 -1.191 1.976) 2.628 5.403 ( -1.259 1.191 1.976) 2.628 6.385 ( -0.135 -6.532 1.319) 6.665 6.385 ( -0.135 6.532 1.319) 6.665 6.955 ( 0.101 -1.041 0.421) 1.127 6.955 ( 0.101 1.041 0.421) 1.128 7.489 ( -1.515 -3.065 6.757) 7.573 7.489 ( -1.515 3.065 6.757) 7.573 7.633 ( 1.133 -3.642 -1.805) 4.220 7.633 ( 1.133 3.642 -1.805) 4.220 8.179 ( 0.956 -6.802 -12.338) 14.121 8.179 ( 0.956 6.803 -12.338) 14.121 9.132 ( -1.534 -0.873 -5.413) 5.693 9.132 ( -1.534 0.874 -5.413) 5.693 9.727 ( 5.835 -1.430 9.126) 10.926 9.727 ( 5.835 1.430 9.126) 10.926 10.070 ( 1.338 -4.357 8.115) 9.307 10.070 ( 1.338 4.357 8.115) 9.308 10.572 ( -0.119 -5.578 0.169) 5.582 10.572 ( -0.119 5.578 0.169) 5.582 10.758 ( -1.053 -2.655 -4.374) 5.224 10.758 ( -1.053 2.656 -4.374) 5.224 10.985 ( -0.780 -1.411 -0.985) 1.890 10.985 ( -0.780 1.412 -0.985) 1.890 12.003 ( 0.645 -4.259 0.608) 4.350 12.003 ( 0.645 4.259 0.608) 4.351 12.958 ( 0.067 -3.780 -4.090) 5.570 12.958 ( 0.067 3.780 -4.090) 5.570 13.313 ( -0.440 -5.307 1.412) 5.509 13.313 ( -0.440 5.307 1.412) 5.510 15.583 ( -0.527 -3.364 6.224) 7.094 15.583 ( -0.527 3.364 6.224) 7.094 15.975 ( 2.261 -5.205 8.139) 9.922 15.975 ( 2.261 5.205 8.139) 9.922 16.690 ( 2.102 -9.864 -10.214) 14.354 16.690 ( 2.102 9.864 -10.214) 14.354 17.100 ( -5.693 -5.984 -7.985) 11.488 17.100 ( -5.693 5.985 -7.985) 11.488 17.593 ( 16.838 -21.721 6.859) 28.326 17.593 ( 16.838 21.721 6.859) 28.326 18.195 ( -13.987 -19.113 0.069) 23.684 18.195 ( -13.987 19.113 0.069) 23.684 ======================= Grid point 254 (136/170) ======================= q-point: (-0.45 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 7.213 -3.796 -3.737) 8.967 1.605 ( 7.213 3.796 -3.737) 8.967 2.318 ( 0.729 -2.675 4.536) 5.316 2.318 ( 0.729 2.675 4.536) 5.316 2.601 ( -5.338 -7.284 1.342) 9.130 2.601 ( -5.338 7.285 1.342) 9.130 2.677 ( 5.776 -9.450 3.627) 11.654 2.677 ( 5.776 9.450 3.627) 11.654 3.002 ( -0.564 -0.654 -4.982) 5.056 3.002 ( -0.564 0.654 -4.982) 5.056 3.510 ( -2.107 -6.667 13.422) 15.134 3.510 ( -2.107 6.667 13.422) 15.134 3.937 ( -2.617 -2.146 -3.392) 4.792 3.937 ( -2.617 2.146 -3.392) 4.792 4.076 ( 5.202 -8.488 -12.812) 16.225 4.076 ( 5.202 8.488 -12.812) 16.225 4.284 ( 0.579 -1.668 -2.637) 3.174 4.284 ( 0.579 1.668 -2.637) 3.174 5.423 ( 1.547 -0.689 1.385) 2.188 5.423 ( 1.547 0.689 1.385) 2.188 6.411 ( 1.176 -2.814 1.197) 3.276 6.411 ( 1.176 2.814 1.197) 3.277 6.927 ( -3.599 -3.216 0.638) 4.868 6.927 ( -3.599 3.216 0.638) 4.868 7.529 ( -1.122 -4.139 3.759) 5.703 7.529 ( -1.122 4.139 3.759) 5.703 7.668 ( 2.659 -5.303 2.580) 6.469 7.668 ( 2.659 5.303 2.580) 6.469 8.058 ( 1.376 -5.757 -12.094) 13.465 8.058 ( 1.376 5.757 -12.094) 13.465 9.059 ( -2.221 -0.821 -2.205) 3.235 9.059 ( -2.221 0.821 -2.205) 3.236 9.847 ( -1.573 -1.624 4.022) 4.614 9.847 ( -1.573 1.624 4.022) 4.614 10.192 ( 0.421 -3.867 10.377) 11.082 10.192 ( 0.421 3.867 10.377) 11.082 10.490 ( -1.718 -4.657 -6.462) 8.149 10.490 ( -1.718 4.657 -6.462) 8.149 10.714 ( -4.152 -4.066 0.516) 5.834 10.714 ( -4.152 4.066 0.516) 5.834 11.005 ( 5.158 -2.603 -1.786) 6.047 11.005 ( 5.158 2.603 -1.786) 6.048 12.010 ( -0.840 -1.330 0.585) 1.678 12.010 ( -0.840 1.330 0.585) 1.679 12.929 ( 1.440 -1.000 -3.412) 3.836 12.929 ( 1.440 1.000 -3.412) 3.836 13.312 ( -1.534 -0.664 1.489) 2.239 13.312 ( -1.534 0.664 1.489) 2.239 15.626 ( -1.237 -1.312 5.089) 5.400 15.626 ( -1.237 1.312 5.089) 5.400 16.117 ( -0.316 -7.013 9.596) 11.890 16.117 ( -0.316 7.014 9.596) 11.890 16.509 ( -5.678 -10.973 -9.993) 15.891 16.509 ( -5.679 10.973 -9.993) 15.891 16.981 ( -2.462 -3.903 -3.512) 5.799 16.981 ( -2.462 3.903 -3.512) 5.799 17.845 ( -1.454 -12.400 -2.814) 12.798 17.845 ( -1.454 12.400 -2.814) 12.798 18.087 ( 9.689 -16.978 3.946) 19.942 18.087 ( 9.689 16.978 3.946) 19.942 ======================= Grid point 256 (137/170) ======================= q-point: (-0.36 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 13.877 -8.269 -2.730) 16.383 1.757 ( 13.877 8.269 -2.730) 16.383 2.368 ( -1.010 -5.698 -1.405) 5.955 2.368 ( -1.010 5.698 -1.405) 5.955 2.489 ( -4.480 -9.646 0.213) 10.638 2.489 ( -4.480 9.646 0.213) 10.638 2.759 ( 2.338 -9.213 -0.370) 9.512 2.759 ( 2.338 9.213 -0.370) 9.512 2.984 ( 1.343 -2.586 1.090) 3.111 2.984 ( 1.343 2.587 1.090) 3.112 3.580 ( -5.423 -5.425 7.545) 10.760 3.580 ( -5.423 5.426 7.545) 10.760 3.855 ( 0.953 -5.574 -6.369) 8.517 3.855 ( 0.953 5.574 -6.369) 8.517 4.100 ( 7.003 -3.507 -0.691) 7.862 4.100 ( 7.003 3.507 -0.691) 7.862 4.308 ( 3.520 -5.565 -0.333) 6.593 4.308 ( 3.520 5.565 -0.333) 6.593 5.487 ( 5.008 -2.443 0.148) 5.575 5.487 ( 5.008 2.443 0.148) 5.575 6.438 ( 1.734 -3.498 -0.814) 3.988 6.438 ( 1.734 3.499 -0.814) 3.989 6.870 ( -4.635 -4.007 2.337) 6.558 6.870 ( -4.635 4.007 2.337) 6.558 7.547 ( -0.291 -3.024 2.125) 3.707 7.547 ( -0.291 3.024 2.125) 3.707 7.751 ( 2.474 -7.952 2.341) 8.651 7.751 ( 2.474 7.952 2.341) 8.651 7.965 ( 1.321 -3.707 -7.600) 8.558 7.965 ( 1.321 3.707 -7.600) 8.558 9.006 ( -3.489 -1.999 1.269) 4.217 9.006 ( -3.489 1.999 1.269) 4.217 9.770 ( -7.735 -1.823 -2.167) 8.237 9.770 ( -7.735 1.823 -2.166) 8.237 10.235 ( -5.985 -5.445 3.198) 8.701 10.235 ( -5.985 5.446 3.198) 8.701 10.478 ( 5.128 -3.188 -1.439) 6.207 10.478 ( 5.128 3.188 -1.439) 6.207 10.622 ( -6.964 -2.809 1.993) 7.769 10.622 ( -6.964 2.810 1.993) 7.769 11.097 ( 7.558 -4.606 -1.665) 9.006 11.097 ( 7.558 4.606 -1.665) 9.006 11.984 ( -2.725 -2.739 0.089) 3.865 11.984 ( -2.725 2.739 0.089) 3.865 12.932 ( 2.453 -2.380 -1.498) 3.731 12.932 ( 2.453 2.380 -1.498) 3.731 13.299 ( -1.797 -5.710 1.308) 6.128 13.299 ( -1.797 5.710 1.308) 6.128 15.664 ( -0.705 -1.626 3.630) 4.040 15.664 ( -0.705 1.626 3.630) 4.040 16.030 ( -13.041 -11.146 -2.102) 17.284 16.030 ( -13.041 11.146 -2.102) 17.284 16.452 ( 1.302 -2.938 2.351) 3.982 16.452 ( 1.302 2.938 2.352) 3.982 16.918 ( -3.214 -9.528 2.426) 10.344 16.918 ( -3.214 9.528 2.426) 10.344 17.661 ( -6.497 -12.438 -8.976) 16.658 17.661 ( -6.497 12.438 -8.976) 16.658 18.416 ( 18.503 -25.135 3.682) 31.428 18.416 ( 18.503 25.135 3.682) 31.428 ======================= Grid point 258 (138/170) ======================= q-point: (-0.27 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 8.122 -9.866 -3.096) 13.149 1.932 ( 8.122 9.866 -3.096) 13.149 2.188 ( -6.957 -8.389 -7.391) 13.168 2.188 ( -6.957 8.389 -7.391) 13.168 2.562 ( 6.723 -9.376 1.577) 11.645 2.562 ( 6.723 9.376 1.577) 11.645 2.806 ( 3.705 -10.463 0.717) 11.122 2.806 ( 3.705 10.463 0.717) 11.122 3.036 ( 2.133 -3.493 2.576) 4.836 3.036 ( 2.133 3.494 2.576) 4.837 3.499 ( -4.588 -4.954 -4.780) 8.272 3.499 ( -4.588 4.954 -4.780) 8.272 3.859 ( -0.111 -6.570 5.761) 8.739 3.859 ( -0.111 6.570 5.761) 8.739 4.252 ( 6.706 -7.205 5.357) 11.206 4.252 ( 6.706 7.205 5.357) 11.207 4.368 ( 4.135 -9.942 -1.328) 10.849 4.368 ( 4.135 9.942 -1.328) 10.849 5.586 ( 7.814 -3.290 -2.092) 8.732 5.586 ( 7.814 3.290 -2.092) 8.732 6.453 ( 1.720 -8.004 -1.470) 8.318 6.453 ( 1.720 8.004 -1.470) 8.318 6.839 ( -2.050 -2.926 2.395) 4.301 6.839 ( -2.050 2.926 2.395) 4.301 7.566 ( -0.218 -3.050 1.276) 3.313 7.566 ( -0.218 3.050 1.276) 3.313 7.752 ( 1.428 -6.829 -6.741) 9.702 7.752 ( 1.428 6.829 -6.741) 9.702 7.962 ( -0.641 -1.785 4.676) 5.046 7.962 ( -0.641 1.785 4.676) 5.046 8.966 ( -6.117 -2.853 5.039) 8.424 8.966 ( -6.117 2.853 5.039) 8.424 9.598 ( -6.383 -4.136 -4.414) 8.794 9.598 ( -6.383 4.136 -4.414) 8.794 10.123 ( -6.019 -4.044 -3.707) 8.144 10.123 ( -6.019 4.045 -3.707) 8.144 10.425 ( -7.115 -5.794 -2.792) 9.591 10.425 ( -7.115 5.794 -2.792) 9.591 10.651 ( 1.646 -3.534 6.542) 7.615 10.651 ( 1.646 3.534 6.542) 7.615 11.211 ( 8.489 -4.350 -1.684) 9.686 11.211 ( 8.489 4.351 -1.684) 9.686 11.930 ( -3.844 -5.656 0.353) 6.848 11.930 ( -3.844 5.656 0.353) 6.848 12.974 ( 2.739 -4.403 0.547) 5.214 12.974 ( 2.739 4.403 0.547) 5.214 13.287 ( -0.785 -8.176 0.921) 8.265 13.287 ( -0.785 8.176 0.921) 8.265 15.605 ( -8.343 -4.478 -4.947) 10.683 15.605 ( -8.343 4.478 -4.947) 10.683 15.850 ( -7.089 -10.749 6.189) 14.287 15.850 ( -7.089 10.750 6.189) 14.287 16.428 ( -3.043 -2.689 -4.844) 6.321 16.428 ( -3.043 2.689 -4.844) 6.321 16.962 ( -2.006 -13.702 10.107) 17.144 16.962 ( -2.006 13.702 10.107) 17.144 17.487 ( -1.146 -5.074 -8.030) 9.567 17.487 ( -1.146 5.074 -8.030) 9.567 18.732 ( 16.042 -25.585 0.687) 30.207 18.732 ( 16.042 25.585 0.687) 30.207 ======================= Grid point 260 (139/170) ======================= q-point: (-0.18 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( -4.991 -9.077 -4.447) 11.273 1.879 ( -4.991 9.077 -4.447) 11.273 2.124 ( 2.556 -13.555 -1.028) 13.832 2.124 ( 2.556 13.555 -1.028) 13.832 2.659 ( 4.759 -8.822 -4.422) 10.956 2.659 ( 4.759 8.822 -4.423) 10.956 2.885 ( 5.463 -8.354 -0.914) 10.023 2.885 ( 5.463 8.354 -0.914) 10.023 3.110 ( 3.488 -3.852 0.520) 5.222 3.110 ( 3.488 3.852 0.520) 5.223 3.385 ( -2.524 -7.831 -1.443) 8.353 3.385 ( -2.524 7.831 -1.443) 8.353 3.968 ( 0.776 -5.285 11.916) 13.059 3.968 ( 0.776 5.285 11.916) 13.059 4.395 ( 1.711 -10.183 -2.370) 10.594 4.395 ( 1.711 10.183 -2.370) 10.594 4.418 ( 5.430 -6.647 5.227) 10.049 4.418 ( 5.430 6.647 5.227) 10.049 5.684 ( 8.075 -3.223 -4.584) 9.829 5.684 ( 8.075 3.223 -4.584) 9.829 6.461 ( 0.093 -9.229 -0.243) 9.233 6.461 ( 0.093 9.229 -0.243) 9.233 6.858 ( 3.426 -2.545 -1.286) 4.457 6.858 ( 3.426 2.545 -1.286) 4.457 7.549 ( -0.737 -2.110 -2.299) 3.206 7.549 ( -0.737 2.110 -2.299) 3.206 7.724 ( 2.299 -4.689 -2.173) 5.656 7.724 ( 2.299 4.689 -2.173) 5.656 7.978 ( -6.155 -1.658 5.972) 8.735 7.978 ( -6.155 1.658 5.972) 8.735 8.894 ( -9.953 -2.816 6.577) 12.258 8.894 ( -9.953 2.816 6.577) 12.258 9.523 ( 1.693 -4.710 -1.409) 5.200 9.523 ( 1.693 4.711 -1.409) 5.200 9.966 ( -5.411 -2.598 -6.903) 9.148 9.966 ( -5.411 2.599 -6.903) 9.148 10.272 ( -7.339 -5.022 -1.535) 9.024 10.272 ( -7.339 5.023 -1.535) 9.024 10.721 ( -0.691 -2.453 3.826) 4.597 10.721 ( -0.691 2.453 3.826) 4.597 11.344 ( 9.145 -3.395 -0.695) 9.780 11.344 ( 9.145 3.396 -0.695) 9.780 11.869 ( -4.458 -7.034 0.984) 8.386 11.869 ( -4.458 7.035 0.984) 8.386 13.006 ( -0.149 -7.487 -0.055) 7.489 13.006 ( -0.149 7.488 -0.055) 7.489 13.315 ( 2.741 -6.674 2.040) 7.498 13.315 ( 2.741 6.674 2.040) 7.498 15.368 ( -10.820 -6.581 -4.570) 13.464 15.368 ( -10.820 6.581 -4.570) 13.464 15.860 ( -4.436 -8.955 8.829) 13.335 15.860 ( -4.436 8.955 8.829) 13.335 16.295 ( -1.813 -5.676 -9.650) 11.342 16.295 ( -1.813 5.677 -9.650) 11.342 16.947 ( -6.552 -8.749 -1.500) 11.033 16.947 ( -6.552 8.749 -1.500) 11.033 17.521 ( 5.932 -6.077 6.693) 10.813 17.521 ( 5.932 6.077 6.693) 10.813 18.952 ( 11.317 -24.712 -2.393) 27.285 18.952 ( 11.317 24.712 -2.393) 27.285 ======================= Grid point 262 (140/170) ======================= q-point: (-0.09 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -0.649 -6.611 0.231) 6.647 1.801 ( -0.649 6.611 0.231) 6.647 2.172 ( 2.200 -12.277 2.327) 12.687 2.172 ( 2.200 12.277 2.327) 12.688 2.599 ( -0.857 -12.234 -10.535) 16.168 2.599 ( -0.857 12.234 -10.535) 16.168 2.947 ( 3.785 -6.205 -3.648) 8.133 2.947 ( 3.785 6.205 -3.648) 8.133 3.119 ( -0.172 -1.873 -0.948) 2.107 3.119 ( -0.172 1.874 -0.948) 2.107 3.421 ( 2.180 -12.572 4.526) 13.539 3.421 ( 2.180 12.572 4.526) 13.539 4.125 ( 0.538 -1.630 12.510) 12.627 4.125 ( 0.538 1.630 12.510) 12.627 4.370 ( 0.167 -8.312 -3.188) 8.904 4.370 ( 0.167 8.312 -3.188) 8.904 4.555 ( 3.187 -3.013 5.675) 7.172 4.555 ( 3.187 3.013 5.675) 7.172 5.740 ( 5.732 -2.749 -6.114) 8.820 5.740 ( 5.732 2.749 -6.114) 8.820 6.438 ( -2.199 -6.045 -0.650) 6.465 6.438 ( -2.199 6.045 -0.650) 6.465 6.907 ( 6.104 -3.609 -5.183) 8.783 6.907 ( 6.104 3.609 -5.183) 8.783 7.543 ( 3.131 -0.791 -0.448) 3.260 7.543 ( 3.131 0.791 -0.448) 3.261 7.758 ( 1.633 -3.554 0.567) 3.952 7.758 ( 1.633 3.554 0.567) 3.952 7.874 ( -11.355 -0.893 2.910) 11.756 7.874 ( -11.355 0.893 2.910) 11.756 8.846 ( -5.461 -1.913 10.087) 11.629 8.846 ( -5.461 1.913 10.087) 11.629 9.558 ( 1.918 -3.463 -1.902) 4.392 9.558 ( 1.918 3.463 -1.902) 4.392 9.806 ( -3.660 -2.285 -7.464) 8.621 9.806 ( -3.660 2.285 -7.464) 8.621 10.186 ( -1.807 -5.976 1.423) 6.403 10.186 ( -1.807 5.976 1.423) 6.403 10.719 ( -2.208 -2.100 0.909) 3.180 10.719 ( -2.208 2.100 0.909) 3.180 11.496 ( 9.077 -2.597 0.767) 9.473 11.496 ( 9.077 2.597 0.767) 9.473 11.796 ( -5.854 -7.462 0.887) 9.526 11.796 ( -5.854 7.462 0.887) 9.526 12.965 ( -2.481 -7.681 -2.321) 8.399 12.965 ( -2.481 7.681 -2.321) 8.399 13.412 ( 3.969 -3.886 3.677) 6.661 13.412 ( 3.969 3.886 3.677) 6.662 15.186 ( -6.424 -7.546 -1.623) 10.043 15.186 ( -6.424 7.546 -1.623) 10.043 15.878 ( -4.633 -6.199 8.104) 11.205 15.878 ( -4.633 6.199 8.104) 11.205 16.170 ( 0.758 -5.643 -11.051) 12.431 16.170 ( 0.758 5.643 -11.051) 12.431 16.784 ( -5.446 -3.757 -6.886) 9.549 16.784 ( -5.446 3.757 -6.886) 9.549 17.746 ( 5.823 -9.284 12.862) 16.898 17.746 ( 5.823 9.284 12.862) 16.898 19.049 ( 5.324 -22.234 -4.795) 23.360 19.049 ( 5.324 22.234 -4.795) 23.360 ======================= Grid point 297 (141/170) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 18.263 0.000 -20.802) 27.682 1.411 ( -18.252 0.000 20.802) 27.674 1.647 ( 3.506 0.000 -21.954) 22.232 1.647 ( -3.506 0.000 21.954) 22.232 2.270 ( 2.195 0.000 -9.009) 9.273 2.270 ( -2.194 0.000 9.008) 9.271 3.101 ( -2.779 0.000 4.402) 5.206 3.102 ( 2.777 0.000 -4.385) 5.190 3.210 ( -1.496 0.000 -11.122) 11.222 3.210 ( 1.495 0.000 11.123) 11.223 3.832 ( -0.758 0.000 -7.370) 7.409 3.832 ( 0.758 0.000 7.369) 7.408 4.050 ( -0.209 0.000 -3.294) 3.300 4.050 ( 0.208 0.000 3.294) 3.301 4.381 ( -3.845 0.000 -0.123) 3.847 4.381 ( 3.845 0.000 0.122) 3.847 4.722 ( 2.263 0.000 -7.964) 8.279 4.722 ( -2.263 0.000 7.964) 8.280 6.106 ( 3.447 0.000 -6.588) 7.435 6.106 ( -3.447 0.000 6.589) 7.436 6.667 ( 9.462 0.000 -3.488) 10.085 6.667 ( -9.462 0.000 3.486) 10.084 7.066 ( -6.847 0.000 -0.581) 6.871 7.066 ( 6.848 0.000 0.582) 6.873 7.373 ( -1.954 0.000 -5.647) 5.976 7.373 ( 1.954 0.000 5.647) 5.975 7.906 ( -2.527 0.000 -1.873) 3.145 7.906 ( 2.525 0.000 1.874) 3.145 8.342 ( -8.962 0.000 1.981) 9.179 8.342 ( 8.962 0.000 -1.980) 9.178 9.139 ( 1.243 0.000 -2.467) 2.763 9.139 ( -1.242 0.000 2.469) 2.764 9.380 ( 1.204 0.000 -4.020) 4.196 9.380 ( -1.205 0.000 4.019) 4.196 9.599 ( -6.768 0.000 12.042) 13.814 9.599 ( 6.766 0.000 -12.042) 13.812 9.984 ( -3.430 0.000 -9.437) 10.041 9.984 ( 3.430 0.000 9.437) 10.041 10.464 ( -7.596 0.000 -2.810) 8.099 10.464 ( 7.597 0.000 2.811) 8.100 11.672 ( -4.796 0.000 -11.714) 12.658 11.673 ( 4.796 0.000 11.720) 12.663 12.108 ( 0.679 0.000 -10.979) 11.000 12.108 ( -0.680 0.000 10.979) 11.001 12.342 ( 1.085 0.000 -8.006) 8.079 12.342 ( -1.084 0.000 8.006) 8.079 13.459 ( -8.295 0.000 6.752) 10.696 13.459 ( 8.295 0.000 -6.748) 10.693 15.004 ( 8.055 0.000 -18.466) 20.147 15.005 ( -8.060 0.000 18.473) 20.154 15.979 ( -2.296 0.000 -15.974) 16.139 15.979 ( 2.295 0.000 15.986) 16.150 16.454 ( -3.787 0.000 -4.439) 5.835 16.454 ( 3.791 0.000 4.439) 5.838 16.855 ( -3.075 0.000 8.169) 8.729 16.856 ( 3.100 0.000 -8.170) 8.738 16.909 ( -0.129 0.000 -3.050) 3.053 16.909 ( 0.098 0.000 3.065) 3.067 19.639 ( -0.551 0.000 -25.566) 25.572 19.639 ( 0.550 0.000 25.567) 25.573 ======================= Grid point 299 (142/170) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -10.760 0.000 20.986) 23.584 1.500 ( 10.013 0.000 -23.586) 25.623 1.515 ( 18.212 0.000 -18.751) 26.140 1.825 ( 5.602 0.000 2.869) 6.294 2.182 ( 1.050 0.000 -0.901) 1.384 2.196 ( -11.396 0.000 -0.356) 11.402 3.065 ( -0.548 0.000 -8.690) 8.707 3.069 ( -6.183 0.000 3.008) 6.876 3.111 ( 0.144 0.000 -3.313) 3.316 3.375 ( 1.144 0.000 11.655) 11.711 3.696 ( -4.650 0.000 -8.172) 9.403 3.888 ( -1.317 0.000 5.316) 5.476 4.014 ( -2.755 0.000 0.193) 2.762 4.110 ( -0.435 0.000 6.637) 6.651 4.327 ( -1.324 0.000 -0.760) 1.527 4.433 ( 3.407 0.000 -2.419) 4.179 4.685 ( 4.362 0.000 -8.666) 9.701 4.791 ( 0.412 0.000 6.839) 6.851 6.038 ( -5.522 0.000 -4.822) 7.331 6.101 ( -9.892 0.000 11.201) 14.944 6.444 ( -14.773 0.000 2.246) 14.943 6.644 ( -3.314 0.000 -1.542) 3.655 7.058 ( -0.973 0.000 4.361) 4.468 7.212 ( 4.628 0.000 -4.742) 6.626 7.463 ( 17.900 0.000 4.982) 18.580 7.478 ( 0.533 0.000 3.682) 3.721 7.889 ( 4.216 0.000 0.695) 4.273 7.946 ( -1.125 0.000 1.159) 1.615 8.251 ( -2.380 0.000 -0.237) 2.392 8.471 ( 8.688 0.000 -2.546) 9.053 9.020 ( -2.783 0.000 -11.981) 12.300 9.023 ( -9.326 0.000 -3.041) 9.809 9.278 ( -2.076 0.000 -8.614) 8.861 9.295 ( -4.865 0.000 -9.295) 10.491 9.706 ( 11.380 0.000 -1.540) 11.483 9.712 ( 0.202 0.000 13.658) 13.660 9.954 ( 6.449 0.000 0.944) 6.518 10.128 ( -3.260 0.000 6.945) 7.672 10.314 ( -1.159 0.000 -4.028) 4.191 10.587 ( 5.436 0.000 -0.040) 5.436 11.503 ( -4.028 0.000 -5.490) 6.809 11.877 ( 1.551 0.000 11.675) 11.777 11.999 ( 2.981 0.000 -13.666) 13.987 12.226 ( 2.621 0.000 6.016) 6.562 12.227 ( -3.841 0.000 -7.738) 8.638 12.385 ( -4.159 0.000 10.566) 11.355 13.389 ( -9.153 0.000 7.031) 11.542 13.507 ( 5.923 0.000 -6.025) 8.449 15.005 ( 13.927 0.000 -14.330) 19.983 15.142 ( -1.376 0.000 19.055) 19.104 15.757 ( -3.255 0.000 -13.121) 13.518 16.154 ( -3.715 0.000 16.965) 17.366 16.358 ( -1.579 0.000 -4.515) 4.783 16.540 ( 0.911 0.000 1.062) 1.399 16.797 ( -0.188 0.000 -6.099) 6.102 16.861 ( -3.503 0.000 3.548) 4.986 16.930 ( 2.842 0.000 0.495) 2.885 17.052 ( 13.493 0.000 4.439) 14.204 19.293 ( -4.837 0.000 -27.425) 27.848 19.870 ( -5.230 0.000 21.973) 22.587 ======================= Grid point 300 (143/170) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 14.320 0.000 -20.171) 24.737 1.482 ( 7.981 0.000 -23.365) 24.690 1.490 ( -7.554 0.000 19.236) 20.665 1.963 ( 19.602 0.000 -11.445) 22.699 2.003 ( -10.218 0.000 2.650) 10.556 2.371 ( 5.237 0.000 19.485) 20.177 2.914 ( -3.705 0.000 -9.568) 10.260 2.972 ( -8.196 0.000 1.367) 8.309 3.062 ( -3.160 0.000 -2.737) 4.181 3.442 ( -6.572 0.000 0.862) 6.629 3.524 ( -5.795 0.000 -0.334) 5.805 3.920 ( -1.732 0.000 2.869) 3.352 3.960 ( -3.008 0.000 -0.702) 3.089 4.176 ( 2.948 0.000 3.016) 4.218 4.322 ( -0.311 0.000 1.165) 1.206 4.429 ( 0.939 0.000 -4.957) 5.045 4.668 ( 5.528 0.000 -9.076) 10.627 4.879 ( 1.903 0.000 4.886) 5.243 5.804 ( -14.322 0.000 -5.745) 15.431 5.976 ( -18.841 0.000 10.494) 21.566 6.360 ( -2.614 0.000 7.445) 7.890 6.614 ( -0.943 0.000 2.431) 2.608 7.066 ( -4.386 0.000 3.692) 5.733 7.218 ( 3.092 0.000 -2.870) 4.219 7.428 ( -5.602 0.000 -1.102) 5.709 7.871 ( 14.226 0.000 2.726) 14.485 7.890 ( -1.200 0.000 4.443) 4.602 8.081 ( 10.687 0.000 7.502) 13.057 8.242 ( 3.329 0.000 -3.817) 5.065 8.542 ( 1.864 0.000 -1.735) 2.547 8.787 ( -13.009 0.000 -5.132) 13.985 8.840 ( -1.014 0.000 -12.969) 13.009 9.181 ( 0.219 0.000 -5.141) 5.146 9.185 ( 9.468 0.000 -10.863) 14.410 9.817 ( 1.938 0.000 -4.997) 5.360 9.863 ( 0.410 0.000 10.655) 10.663 10.041 ( -3.486 0.000 2.848) 4.501 10.131 ( 10.755 0.000 1.634) 10.878 10.375 ( 5.421 0.000 0.572) 5.451 10.665 ( 4.213 0.000 1.281) 4.404 11.386 ( -5.622 0.000 -2.315) 6.080 11.890 ( 0.556 0.000 -13.558) 13.569 11.948 ( -4.944 0.000 7.299) 8.816 12.090 ( -0.562 0.000 -5.836) 5.863 12.228 ( -5.338 0.000 -0.257) 5.344 12.548 ( 5.603 0.000 12.672) 13.855 13.326 ( -7.831 0.000 7.523) 10.859 13.515 ( 2.845 0.000 -5.630) 6.308 15.117 ( 14.126 0.000 -9.507) 17.028 15.360 ( 3.116 0.000 15.957) 16.258 15.625 ( 3.132 0.000 -7.859) 8.460 16.254 ( -7.127 0.000 17.678) 19.060 16.296 ( -0.751 0.000 -3.200) 3.287 16.498 ( -5.313 0.000 -0.844) 5.380 16.721 ( 0.027 0.000 -6.802) 6.802 16.828 ( -2.697 0.000 -0.287) 2.713 16.992 ( 2.896 0.000 1.996) 3.517 17.423 ( 20.912 0.000 7.093) 22.083 18.887 ( -6.295 0.000 -27.069) 27.791 19.953 ( -11.317 0.000 17.247) 20.628 ======================= Grid point 301 (144/170) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 13.777 0.000 -19.078) 23.532 1.517 ( 13.041 0.000 -11.435) 17.344 1.583 ( -2.380 0.000 14.307) 14.503 1.947 ( -5.294 0.000 9.747) 11.092 2.154 ( 10.756 0.000 -3.683) 11.369 2.700 ( 6.188 0.000 17.431) 18.497 2.785 ( 0.337 0.000 -6.384) 6.393 2.844 ( -5.851 0.000 -0.082) 5.851 2.949 ( -6.669 0.000 -2.166) 7.012 3.201 ( -14.354 0.000 -5.053) 15.218 3.484 ( -4.802 0.000 3.233) 5.789 3.872 ( -1.642 0.000 -5.498) 5.738 3.918 ( 0.382 0.000 -1.943) 1.980 4.235 ( -2.816 0.000 1.665) 3.272 4.346 ( -2.276 0.000 -8.142) 8.454 4.354 ( 3.907 0.000 1.828) 4.313 4.669 ( 6.871 0.000 -8.771) 11.142 4.946 ( 1.188 0.000 1.706) 2.079 5.492 ( -14.280 0.000 -4.859) 15.084 5.775 ( -16.658 0.000 7.363) 18.213 6.451 ( -0.069 0.000 11.223) 11.223 6.646 ( -0.278 0.000 4.244) 4.253 6.978 ( -7.304 0.000 -1.162) 7.396 7.254 ( 2.249 0.000 0.477) 2.299 7.354 ( -3.003 0.000 1.720) 3.460 7.736 ( -9.564 0.000 -3.865) 10.315 8.080 ( 6.247 0.000 -8.650) 10.670 8.329 ( 7.184 0.000 7.638) 10.486 8.418 ( 14.347 0.000 10.782) 17.947 8.435 ( -8.991 0.000 -5.245) 10.409 8.632 ( -1.593 0.000 2.456) 2.928 8.705 ( -0.612 0.000 -9.320) 9.340 9.147 ( -0.085 0.000 -3.726) 3.727 9.331 ( 15.873 0.000 -5.065) 16.661 9.721 ( 1.052 0.000 -7.153) 7.230 9.942 ( -2.086 0.000 5.677) 6.048 10.121 ( 3.499 0.000 5.177) 6.249 10.296 ( 8.614 0.000 -2.707) 9.030 10.459 ( 4.679 0.000 -0.311) 4.690 10.795 ( 7.469 0.000 5.833) 9.477 11.265 ( -5.347 0.000 -2.150) 5.763 11.697 ( -6.660 0.000 -8.953) 11.158 11.906 ( -7.625 0.000 4.258) 8.733 12.098 ( -7.799 0.000 -2.614) 8.225 12.116 ( 8.586 0.000 -3.416) 9.241 12.744 ( 3.555 0.000 6.078) 7.041 13.308 ( -4.901 0.000 8.228) 9.577 13.482 ( 0.848 0.000 -5.052) 5.122 15.214 ( 8.218 0.000 -5.936) 10.138 15.577 ( 4.782 0.000 10.053) 11.132 15.718 ( 13.179 0.000 -1.282) 13.241 16.266 ( 0.246 0.000 -0.863) 0.897 16.287 ( -9.003 0.000 6.475) 11.089 16.398 ( -9.493 0.000 11.119) 14.620 16.659 ( 1.896 0.000 -6.462) 6.735 16.770 ( -2.628 0.000 -1.864) 3.222 17.065 ( 3.228 0.000 1.120) 3.416 17.814 ( 14.672 0.000 3.179) 15.013 18.536 ( 0.771 0.000 -21.400) 21.414 19.884 ( -16.621 0.000 12.113) 20.566 ======================= Grid point 302 (145/170) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 19.618 0.000 -7.181) 20.891 1.553 ( -0.351 0.000 1.050) 1.107 1.795 ( 17.042 0.000 0.035) 17.042 2.048 ( -0.435 0.000 15.267) 15.273 2.148 ( -11.100 0.000 1.685) 11.227 2.693 ( -5.386 0.000 -3.660) 6.512 2.735 ( -5.357 0.000 -2.254) 5.812 2.860 ( 1.835 0.000 0.431) 1.885 2.893 ( -12.334 0.000 -1.400) 12.413 3.031 ( 4.132 0.000 7.809) 8.835 3.471 ( 0.644 0.000 4.892) 4.935 3.774 ( 0.383 0.000 -8.554) 8.562 3.942 ( 4.754 0.000 -2.178) 5.229 4.127 ( -8.857 0.000 -1.851) 9.048 4.176 ( -4.039 0.000 -10.616) 11.358 4.423 ( -0.027 0.000 1.097) 1.097 4.704 ( 8.061 0.000 -7.226) 10.826 4.941 ( -2.626 0.000 -1.122) 2.855 5.283 ( -5.440 0.000 -0.684) 5.482 5.591 ( -13.055 0.000 3.602) 13.543 6.603 ( 1.921 0.000 13.278) 13.416 6.688 ( -0.470 0.000 3.982) 4.010 6.844 ( -4.722 0.000 -3.171) 5.688 7.274 ( -2.994 0.000 1.786) 3.486 7.348 ( -1.984 0.000 3.481) 4.006 7.490 ( -6.364 0.000 -13.138) 14.598 8.096 ( 5.686 0.000 -4.009) 6.957 8.265 ( -4.984 0.000 -2.767) 5.700 8.457 ( 0.811 0.000 3.755) 3.841 8.592 ( -1.726 0.000 -6.328) 6.559 8.703 ( 0.452 0.000 9.361) 9.371 8.786 ( 10.373 0.000 12.682) 16.384 9.077 ( 0.685 0.000 -6.226) 6.263 9.499 ( 8.904 0.000 -5.669) 10.555 9.753 ( 8.321 0.000 -3.293) 8.949 9.934 ( -3.425 0.000 2.617) 4.310 10.228 ( 2.421 0.000 4.757) 5.338 10.351 ( 3.176 0.000 -3.569) 4.777 10.540 ( 5.639 0.000 0.478) 5.659 10.997 ( 7.152 0.000 -1.578) 7.324 11.179 ( -2.038 0.000 3.906) 4.406 11.545 ( -3.270 0.000 -0.612) 3.327 11.791 ( -9.614 0.000 0.519) 9.628 11.927 ( -7.427 0.000 -4.661) 8.768 12.264 ( 10.884 0.000 -0.139) 10.885 12.774 ( -3.678 0.000 -0.314) 3.692 13.338 ( -2.358 0.000 7.226) 7.601 13.446 ( 0.968 0.000 -3.772) 3.894 15.299 ( 7.490 0.000 -0.760) 7.528 15.715 ( 2.880 0.000 1.277) 3.150 15.936 ( 11.346 0.000 -0.916) 11.383 16.130 ( -10.113 0.000 0.337) 10.119 16.302 ( 3.731 0.000 1.885) 4.180 16.417 ( -9.622 0.000 15.763) 18.468 16.651 ( 2.717 0.000 -1.575) 3.141 16.712 ( -1.071 0.000 -2.092) 2.350 17.116 ( 3.576 0.000 -1.025) 3.719 17.792 ( -7.257 0.000 -13.353) 15.198 18.613 ( 21.877 0.000 -3.146) 22.102 19.681 ( -20.570 0.000 7.140) 21.774 ======================= Grid point 303 (146/170) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 6.247 0.000 4.335) 7.604 1.796 ( 9.653 0.000 -8.844) 13.092 1.937 ( -8.429 0.000 10.131) 13.178 2.095 ( 10.722 0.000 0.249) 10.725 2.140 ( 3.772 0.000 -0.842) 3.865 2.448 ( -17.716 0.000 -2.819) 17.939 2.656 ( -3.605 0.000 8.513) 9.245 2.750 ( -2.777 0.000 -4.765) 5.515 2.962 ( 6.694 0.000 1.230) 6.806 3.067 ( -4.334 0.000 0.450) 4.358 3.653 ( 10.116 0.000 7.389) 12.527 3.736 ( 3.997 0.000 -2.887) 4.931 3.874 ( -5.064 0.000 -8.485) 9.881 3.921 ( -11.954 0.000 -3.290) 12.399 4.163 ( 9.617 0.000 0.638) 9.638 4.346 ( -7.975 0.000 -2.203) 8.274 4.771 ( 7.943 0.000 -4.789) 9.275 4.856 ( -6.524 0.000 1.406) 6.674 5.293 ( 4.868 0.000 0.946) 4.959 5.423 ( -9.713 0.000 0.425) 9.723 6.718 ( -0.359 0.000 2.749) 2.772 6.746 ( -1.127 0.000 -0.040) 1.127 6.835 ( 5.467 0.000 11.212) 12.474 7.100 ( -9.798 0.000 -10.200) 14.143 7.354 ( -2.100 0.000 3.495) 4.078 7.363 ( 2.308 0.000 -5.571) 6.030 8.159 ( 3.701 0.000 -0.427) 3.726 8.198 ( -1.647 0.000 -0.638) 1.767 8.479 ( -2.116 0.000 3.809) 4.358 8.507 ( -0.210 0.000 -4.924) 4.929 8.811 ( -0.601 0.000 9.467) 9.486 8.893 ( 0.540 0.000 -6.100) 6.124 9.208 ( 9.108 0.000 11.026) 14.301 9.450 ( -2.964 0.000 -11.050) 11.440 9.858 ( 7.008 0.000 -2.602) 7.475 9.912 ( -3.510 0.000 3.010) 4.624 10.304 ( 0.873 0.000 3.870) 3.968 10.344 ( 0.669 0.000 -3.037) 3.110 10.675 ( 7.821 0.000 3.856) 8.720 10.875 ( -7.578 0.000 -7.708) 10.810 11.370 ( 9.982 0.000 7.311) 12.373 11.585 ( 4.132 0.000 5.098) 6.562 11.603 ( -10.298 0.000 -3.998) 11.047 11.750 ( -7.015 0.000 -5.707) 9.043 12.454 ( 10.794 0.000 1.433) 10.889 12.644 ( -9.006 0.000 -2.298) 9.295 13.383 ( -0.974 0.000 5.460) 5.546 13.421 ( 0.933 0.000 -3.960) 4.069 15.455 ( 8.532 0.000 4.548) 9.668 15.653 ( -5.821 0.000 -6.746) 8.911 16.034 ( 4.216 0.000 -3.276) 5.339 16.045 ( -3.865 0.000 4.701) 6.086 16.388 ( 5.078 0.000 -2.550) 5.683 16.415 ( -6.768 0.000 8.743) 11.057 16.693 ( 0.069 0.000 3.281) 3.281 16.703 ( 1.984 0.000 -1.821) 2.693 17.214 ( 7.332 0.000 4.829) 8.780 17.474 ( -10.374 0.000 -13.155) 16.753 18.995 ( 24.253 0.000 -0.575) 24.260 19.372 ( -23.074 0.000 2.989) 23.267 ======================= Grid point 309 (147/170) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -1.063 -0.635 1.401) 1.870 1.350 ( 1.071 -0.639 -1.405) 1.878 1.751 ( 4.183 6.585 -17.481) 19.143 1.751 ( -4.182 6.589 17.487) 19.149 2.433 ( 2.879 13.027 1.896) 13.475 2.433 ( -2.878 13.035 -1.895) 13.482 3.052 ( -3.337 -5.263 5.462) 8.287 3.052 ( 3.332 -5.279 -5.458) 8.292 3.162 ( -1.224 -2.804 -8.273) 8.821 3.162 ( 1.226 -2.812 8.283) 8.833 3.770 ( -2.478 -5.542 -7.908) 9.969 3.770 ( 2.477 -5.543 7.908) 9.970 4.107 ( -1.532 4.459 -3.359) 5.789 4.107 ( 1.531 4.459 3.360) 5.789 4.376 ( -1.157 -0.804 -1.313) 1.926 4.376 ( 1.157 -0.804 1.312) 1.925 4.688 ( 1.274 -2.336 -6.113) 6.667 4.688 ( -1.275 -2.336 6.114) 6.668 6.075 ( -0.586 -3.580 3.243) 4.866 6.075 ( 0.586 -3.578 -3.241) 4.863 6.637 ( 2.083 -2.922 -3.347) 4.907 6.637 ( -2.082 -2.921 3.346) 4.905 7.027 ( -11.996 -2.982 -2.637) 12.640 7.027 ( 11.997 -2.983 2.638) 12.641 7.453 ( -4.615 6.210 -3.211) 8.377 7.453 ( 4.614 6.210 3.212) 8.377 7.848 ( -2.190 -4.946 -1.879) 5.726 7.848 ( 2.189 -4.946 1.880) 5.726 8.250 ( -8.783 -7.515 0.934) 11.597 8.250 ( 8.783 -7.515 -0.933) 11.597 9.183 ( 0.108 2.247 -5.855) 6.272 9.183 ( -0.107 2.246 5.859) 6.275 9.379 ( -2.170 0.114 -5.313) 5.741 9.379 ( 2.170 0.114 5.311) 5.739 9.570 ( 4.330 -1.553 -9.299) 10.374 9.570 ( -4.331 -1.552 9.300) 10.376 10.061 ( -4.457 5.949 -12.279) 14.354 10.061 ( 4.455 5.950 12.279) 14.354 10.511 ( -5.113 3.882 -2.860) 7.028 10.511 ( 5.114 3.882 2.862) 7.029 11.629 ( -2.160 -3.336 -8.990) 9.829 11.629 ( 2.159 -3.338 8.994) 9.833 12.090 ( -1.086 -2.774 -8.555) 9.059 12.090 ( 1.086 -2.773 8.556) 9.059 12.395 ( 1.324 5.798 -7.233) 9.364 12.395 ( -1.324 5.799 7.233) 9.365 13.477 ( -1.418 1.513 1.986) 2.872 13.477 ( 1.417 1.518 -1.981) 2.870 15.017 ( 5.499 1.365 -10.508) 11.938 15.017 ( -5.501 1.362 10.513) 11.943 15.943 ( -1.470 -3.146 -14.874) 15.274 15.944 ( 1.469 -3.152 14.878) 15.279 16.426 ( 5.153 -2.474 4.816) 7.474 16.426 ( -5.153 -2.467 -4.807) 7.466 16.708 ( -1.842 -6.305 8.147) 10.464 16.709 ( 1.835 -6.320 -8.135) 10.463 17.165 ( -0.304 16.047 -0.089) 16.050 17.166 ( 0.308 16.049 0.089) 16.052 19.562 ( -0.703 -7.107 -24.746) 25.755 19.562 ( 0.702 -7.105 24.748) 25.757 ======================= Grid point 311 (148/170) ======================= q-point: ( 0.09 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 14.012 -2.715 -19.192) 23.917 1.401 ( -3.407 1.352 11.716) 12.277 1.639 ( 4.068 6.996 -9.618) 12.569 1.960 ( 5.993 4.867 10.930) 13.381 2.251 ( -8.867 11.083 -8.675) 16.635 2.399 ( -1.690 14.235 -4.029) 14.891 2.997 ( -1.466 -5.669 -5.682) 8.159 3.014 ( -5.732 -4.653 0.481) 7.398 3.131 ( 1.219 0.856 -0.503) 1.572 3.312 ( 1.432 -4.613 10.756) 11.790 3.625 ( -4.574 -6.143 -7.201) 10.512 3.874 ( 0.170 -2.685 6.460) 6.997 4.033 ( -4.392 2.082 -0.209) 4.865 4.142 ( -1.676 1.972 2.507) 3.603 4.349 ( 0.741 1.890 -1.737) 2.672 4.414 ( 2.277 -1.526 -0.888) 2.881 4.654 ( 3.212 -2.589 -6.505) 7.703 4.749 ( 0.729 -3.096 5.384) 6.254 5.993 ( -5.808 -4.460 -3.983) 8.336 6.071 ( -9.947 -3.352 10.122) 14.582 6.484 ( -11.507 2.699 -0.628) 11.836 6.620 ( -2.427 -1.781 1.886) 3.552 6.952 ( 1.006 -8.415 1.831) 8.671 7.246 ( 4.768 0.664 -1.725) 5.113 7.396 ( 1.108 -0.262 4.469) 4.611 7.642 ( 11.929 8.153 3.219) 14.803 7.828 ( 3.607 -4.902 0.087) 6.087 7.901 ( 1.594 -4.948 0.306) 5.208 8.120 ( -6.121 -8.230 -0.565) 10.272 8.371 ( 7.519 -8.507 -2.327) 11.590 9.039 ( -3.251 1.084 -12.011) 12.490 9.143 ( -4.237 5.755 -1.633) 7.331 9.232 ( -3.089 1.106 -10.296) 10.806 9.372 ( -2.341 3.498 -4.433) 6.113 9.670 ( 5.527 -2.305 8.879) 10.710 9.739 ( 6.120 0.658 6.065) 8.641 9.925 ( 3.751 0.399 -4.078) 5.555 10.186 ( -5.712 3.682 4.972) 8.420 10.437 ( 3.116 9.274 -0.895) 9.824 10.613 ( 4.862 2.245 -0.244) 5.361 11.509 ( -2.801 1.062 -4.952) 5.788 11.749 ( -0.014 -8.825 6.460) 10.937 11.963 ( -1.811 -6.320 -7.937) 10.306 12.156 ( -0.196 -0.519 1.354) 1.464 12.353 ( 0.686 6.021 -3.830) 7.169 12.484 ( 0.707 9.129 10.788) 14.150 13.416 ( -8.069 2.092 5.108) 9.776 13.506 ( 4.166 -0.098 -4.940) 6.463 14.998 ( 11.218 -0.042 -12.425) 16.740 15.171 ( 1.211 2.326 16.418) 16.626 15.741 ( -2.866 -1.244 -11.153) 11.582 16.086 ( -4.888 -5.591 13.071) 15.033 16.331 ( -0.833 -1.960 -2.054) 2.959 16.549 ( 1.491 -0.911 3.547) 3.954 16.654 ( 2.167 -4.819 -6.314) 8.233 16.848 ( 8.395 -5.177 4.597) 10.881 17.148 ( -0.442 14.642 -0.711) 14.666 17.190 ( 1.963 13.692 2.521) 14.060 19.222 ( -5.122 -6.536 -26.573) 27.841 19.786 ( -5.093 -7.725 21.245) 23.172 ======================= Grid point 312 (149/170) ======================= q-point: ( 0.18 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 13.032 -0.988 -18.064) 22.296 1.468 ( 5.495 1.227 -3.428) 6.592 1.657 ( 0.683 9.936 3.160) 10.449 1.977 ( -10.019 -0.434 1.776) 10.184 2.227 ( 14.397 17.576 -5.660) 23.414 2.415 ( 1.682 5.087 10.003) 11.347 2.873 ( -3.671 -3.885 -7.495) 9.206 2.914 ( -7.184 -4.332 1.445) 8.512 3.107 ( -3.486 2.972 -1.211) 4.739 3.399 ( -4.442 -4.188 5.415) 8.161 3.456 ( -6.333 -5.569 -4.149) 9.399 3.884 ( -4.980 -3.232 0.845) 5.996 3.996 ( -1.190 2.207 2.070) 3.252 4.132 ( 0.687 -3.776 -0.296) 3.849 4.340 ( 0.927 0.436 -3.964) 4.094 4.423 ( 0.561 0.487 -2.241) 2.361 4.653 ( 5.204 -1.608 -5.742) 7.914 4.826 ( 1.449 -4.572 4.610) 6.653 5.789 ( -12.511 -2.267 -4.183) 13.385 5.948 ( -17.297 -2.825 9.545) 19.957 6.375 ( -3.498 0.990 3.833) 5.283 6.632 ( -0.540 1.196 4.196) 4.396 7.007 ( 0.383 -5.582 3.524) 6.612 7.223 ( -0.970 -0.047 -1.722) 1.977 7.415 ( -2.804 -0.797 -0.011) 2.915 7.821 ( -1.778 -5.479 -0.145) 5.762 7.899 ( 3.052 -0.658 1.691) 3.550 7.976 ( 4.877 -14.571 2.768) 15.613 8.145 ( 12.073 2.242 4.287) 13.007 8.431 ( 3.317 -8.411 -2.837) 9.476 8.857 ( -1.181 0.847 -12.002) 12.090 8.990 ( -9.432 12.570 -7.677) 17.490 9.127 ( 4.209 -0.105 -7.137) 8.286 9.320 ( 5.668 7.135 -4.631) 10.222 9.825 ( -0.285 -0.425 1.975) 2.040 9.870 ( 6.655 -0.845 6.261) 9.176 10.048 ( -0.355 1.326 2.150) 2.551 10.108 ( 4.225 0.565 3.758) 5.683 10.530 ( 5.674 10.722 -1.151) 12.185 10.683 ( 4.231 1.426 0.850) 4.546 11.398 ( -5.890 1.094 -2.800) 6.613 11.764 ( 0.247 -7.451 -2.736) 7.942 11.847 ( -5.948 -9.731 -1.971) 11.574 12.154 ( -0.406 2.545 0.223) 2.586 12.310 ( -1.037 7.811 -3.152) 8.487 12.656 ( 4.686 9.002 9.858) 14.149 13.337 ( -7.383 0.618 4.487) 8.662 13.507 ( 2.013 -0.626 -3.990) 4.513 15.076 ( 10.374 -2.177 -7.824) 13.175 15.399 ( 6.917 2.260 11.339) 13.473 15.655 ( 3.430 2.922 -2.957) 5.390 16.091 ( -6.310 -8.789 6.809) 12.784 16.348 ( -0.529 0.727 5.519) 5.591 16.533 ( -5.697 0.117 1.129) 5.809 16.628 ( 4.113 -1.687 -8.461) 9.557 16.977 ( 2.299 -0.382 1.788) 2.937 17.106 ( -3.889 18.348 -0.510) 18.762 17.413 ( 17.368 -0.358 7.066) 18.754 18.818 ( -6.959 -6.399 -26.382) 28.024 19.864 ( -11.164 -8.245 16.604) 21.640 ======================= Grid point 313 (150/170) ======================= q-point: ( 0.27 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 16.250 3.480 -14.198) 21.857 1.514 ( 7.254 0.837 -7.092) 10.179 1.712 ( -1.102 9.903 8.882) 13.348 1.919 ( -5.828 -0.884 10.519) 12.058 2.362 ( 7.945 16.034 -4.517) 18.456 2.629 ( 5.421 -4.378 11.607) 13.538 2.753 ( -3.227 -3.509 -3.205) 5.744 2.826 ( -3.607 -1.074 0.258) 3.772 3.018 ( -4.368 5.169 0.385) 6.778 3.196 ( -12.888 -0.867 -5.062) 13.874 3.409 ( -4.683 -6.462 2.891) 8.487 3.804 ( -3.379 -5.920 -0.747) 6.857 3.953 ( -0.260 1.746 -6.263) 6.507 4.172 ( 0.242 -5.127 0.640) 5.172 4.282 ( 0.081 -3.736 -5.782) 6.885 4.376 ( -0.885 0.633 -5.296) 5.407 4.696 ( 5.843 1.011 -3.557) 6.915 4.884 ( 0.447 -5.675 2.089) 6.064 5.523 ( -12.686 1.081 -3.738) 13.270 5.762 ( -15.436 -1.476 6.800) 16.932 6.411 ( -0.403 -2.793 7.296) 7.823 6.679 ( -0.234 1.870 4.670) 5.036 6.990 ( -5.222 0.285 0.154) 5.232 7.226 ( 2.145 -2.558 0.933) 3.466 7.376 ( -1.620 0.989 0.641) 2.003 7.658 ( -10.808 -6.523 -4.482) 13.396 7.924 ( 2.195 -9.925 -3.434) 10.730 8.125 ( 3.148 -14.251 8.022) 16.654 8.338 ( 2.067 -7.573 -0.220) 7.853 8.517 ( 7.937 6.286 0.965) 10.171 8.751 ( 2.126 1.902 -9.273) 9.702 8.827 ( 2.283 10.933 -1.258) 11.240 9.090 ( -2.219 0.274 -5.032) 5.507 9.457 ( 12.262 7.351 -0.855) 14.322 9.793 ( 0.897 3.276 -2.995) 4.529 10.007 ( 1.365 6.322 4.552) 7.909 10.091 ( 3.035 -2.361 6.183) 7.281 10.287 ( 8.418 -0.505 1.033) 8.497 10.564 ( 2.616 8.051 -3.874) 9.310 10.801 ( 6.832 0.294 3.844) 7.845 11.258 ( -6.536 -0.887 -3.074) 7.277 11.648 ( -6.129 -3.824 -5.741) 9.227 11.791 ( -2.911 -8.475 2.471) 9.296 12.111 ( -5.143 1.795 -1.305) 5.602 12.295 ( 4.279 12.177 -2.294) 13.109 12.808 ( 2.728 5.818 4.498) 7.843 13.288 ( -4.067 -1.806 4.163) 6.094 13.483 ( -0.117 0.044 -2.970) 2.973 15.146 ( 6.847 -3.373 -3.966) 8.602 15.648 ( 10.987 2.732 5.988) 12.808 15.777 ( 8.541 6.323 3.959) 11.340 16.065 ( -4.021 -9.032 4.429) 10.833 16.370 ( -5.578 2.248 -0.909) 6.082 16.449 ( -5.328 1.562 9.191) 10.738 16.606 ( 4.100 -1.852 -6.693) 8.064 16.984 ( -2.555 10.297 -4.357) 11.469 17.048 ( -1.414 6.217 3.280) 7.170 17.787 ( 14.824 -2.596 4.308) 15.654 18.451 ( -1.070 -7.870 -21.577) 22.992 19.790 ( -16.475 -8.647 11.486) 21.866 ======================= Grid point 314 (151/170) ======================= q-point: ( 0.36 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 1.031 -1.222 -0.745) 1.764 1.606 ( 18.948 6.207 -5.820) 20.771 1.807 ( 5.391 1.226 0.211) 5.532 2.030 ( -1.131 2.133 18.113) 18.273 2.338 ( -6.817 12.083 -0.134) 13.874 2.696 ( -0.479 0.205 -3.004) 3.049 2.735 ( -7.760 0.491 0.715) 7.809 2.801 ( 5.718 -4.040 3.259) 7.723 2.896 ( -13.242 0.729 -3.022) 13.602 3.079 ( 2.041 3.635 3.185) 5.246 3.390 ( 0.983 -6.852 3.473) 7.745 3.758 ( -1.024 -4.229 -0.899) 4.443 3.890 ( 0.956 -2.537 -7.344) 7.828 4.078 ( -2.443 -2.490 -6.481) 7.360 4.210 ( -5.015 0.152 -5.603) 7.521 4.324 ( 1.575 -6.391 -3.689) 7.545 4.748 ( 3.695 1.562 -2.116) 4.536 4.876 ( -2.117 -6.087 -0.977) 6.519 5.335 ( -5.468 2.779 -1.003) 6.216 5.592 ( -12.042 -0.235 3.364) 12.505 6.521 ( 2.389 -5.462 9.250) 11.005 6.724 ( 0.041 1.700 3.951) 4.301 6.885 ( -5.202 2.734 -1.592) 6.089 7.280 ( -0.302 1.018 2.047) 2.306 7.328 ( -2.344 -8.526 -8.449) 12.230 7.434 ( -7.644 1.500 -0.048) 7.790 7.947 ( 3.188 -9.122 -0.246) 9.666 8.163 ( -2.523 -11.645 -0.934) 11.952 8.409 ( 2.098 -12.892 8.356) 15.505 8.549 ( 0.757 7.118 -1.268) 7.270 8.702 ( 2.933 2.940 -7.394) 8.480 8.935 ( -4.000 -5.098 -8.225) 10.471 9.073 ( 10.714 13.361 11.569) 20.668 9.614 ( 6.717 6.543 -3.017) 9.850 9.842 ( 6.190 6.389 0.703) 8.924 10.047 ( 0.117 9.806 0.975) 9.855 10.214 ( 2.531 -1.855 5.867) 6.654 10.369 ( 3.096 1.283 -3.490) 4.839 10.575 ( 3.147 3.131 -0.779) 4.507 10.957 ( 5.797 -3.705 -2.280) 7.248 11.140 ( -2.992 -2.779 1.963) 4.530 11.521 ( -4.288 -2.708 -0.232) 5.077 11.745 ( -4.629 -3.832 0.570) 6.036 11.977 ( -6.488 3.808 -4.031) 8.535 12.393 ( 8.480 11.587 0.042) 14.359 12.831 ( -2.507 5.189 -0.531) 5.788 13.294 ( -0.763 -3.609 3.584) 5.143 13.439 ( -1.539 -0.742 -2.251) 2.826 15.248 ( 7.915 -2.013 1.262) 8.264 15.826 ( 3.285 4.604 -1.511) 5.854 15.955 ( 4.633 1.563 4.400) 6.578 16.066 ( 0.828 -0.167 0.451) 0.957 16.262 ( -2.267 -0.848 3.857) 4.554 16.510 ( -1.993 1.968 9.249) 9.664 16.627 ( 3.396 -0.911 -0.834) 3.614 16.847 ( -5.797 12.416 -5.492) 14.762 17.093 ( 2.552 0.519 2.099) 3.345 17.771 ( -7.769 -2.054 -13.479) 15.693 18.511 ( 21.486 -9.508 -2.213) 23.600 19.583 ( -20.373 -8.963 6.564) 23.205 ======================= Grid point 315 (152/170) ======================= q-point: ( 0.45 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 5.285 -2.640 2.537) 6.429 1.746 ( -3.941 -4.894 -4.826) 7.923 1.941 ( 12.552 4.886 6.267) 14.856 2.162 ( -4.102 4.764 2.336) 6.706 2.282 ( 6.416 9.626 -0.505) 11.579 2.516 ( -13.840 4.976 -4.494) 15.379 2.671 ( -3.468 2.046 9.365) 10.194 2.756 ( -2.082 1.262 -3.634) 4.374 2.940 ( 6.642 -1.801 2.380) 7.282 3.059 ( -4.561 -0.750 -1.306) 4.804 3.526 ( 8.264 -8.074 2.885) 11.908 3.718 ( -8.444 -9.179 -5.557) 13.655 3.813 ( 5.443 3.444 3.058) 7.130 4.007 ( -7.189 3.016 -7.900) 11.099 4.118 ( 6.992 -3.929 1.175) 8.106 4.265 ( -4.716 -6.588 -3.683) 8.900 4.773 ( 3.129 -0.924 -2.384) 4.041 4.815 ( -3.946 -4.312 0.595) 5.875 5.327 ( 3.912 2.033 0.516) 4.439 5.439 ( -8.825 0.913 0.604) 8.893 6.671 ( 4.466 -4.551 4.956) 8.076 6.762 ( -4.255 -0.168 2.918) 5.162 6.835 ( 3.304 1.269 4.185) 5.481 7.053 ( -8.358 -4.366 -12.272) 15.476 7.345 ( 3.347 -0.426 -0.647) 3.435 7.386 ( -3.548 2.705 2.411) 5.071 8.014 ( 3.726 -8.906 1.358) 9.749 8.092 ( -3.222 -9.208 -2.123) 9.984 8.533 ( 0.475 -9.736 7.894) 12.543 8.569 ( 1.015 -0.205 0.649) 1.222 8.679 ( 1.858 3.437 -2.013) 4.395 8.768 ( -3.337 -4.403 -8.352) 10.013 9.378 ( 8.705 11.783 11.314) 18.510 9.585 ( -2.434 9.219 -7.908) 12.387 9.963 ( 4.526 8.147 2.585) 9.672 10.034 ( -1.047 10.077 -1.998) 10.326 10.298 ( 0.866 -0.894 4.302) 4.479 10.347 ( 0.103 0.190 -3.639) 3.646 10.667 ( 6.224 -0.570 3.187) 7.016 10.841 ( -6.936 -2.976 -6.901) 10.227 11.283 ( 8.911 -6.834 4.987) 12.287 11.452 ( -6.754 -7.623 -0.118) 10.186 11.710 ( 1.257 4.668 2.016) 5.237 11.822 ( -5.766 5.291 -4.884) 9.224 12.558 ( 9.470 10.033 1.937) 13.932 12.728 ( -7.246 7.725 -2.503) 10.883 13.333 ( 1.017 -4.374 2.792) 5.288 13.386 ( -1.787 -3.162 -2.261) 4.279 15.440 ( 9.820 -0.048 6.139) 11.582 15.687 ( -8.835 1.525 -8.431) 12.307 16.041 ( 1.389 1.154 2.808) 3.338 16.069 ( -0.400 1.539 -0.281) 1.615 16.409 ( 9.154 4.902 4.097) 11.163 16.554 ( -5.975 7.495 5.355) 10.980 16.672 ( 0.455 -0.727 2.043) 2.215 16.709 ( -0.997 2.693 -5.421) 6.134 17.202 ( 6.308 -0.427 5.903) 8.649 17.451 ( -9.964 -1.996 -13.041) 16.533 18.895 ( 23.828 -9.244 0.087) 25.559 19.273 ( -22.760 -9.160 2.459) 24.657 ======================= Grid point 321 (153/170) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -4.757 10.701 9.870) 15.315 1.462 ( 4.754 10.701 -9.872) 15.315 1.901 ( 6.802 8.022 -5.772) 11.997 1.901 ( -6.797 8.021 5.778) 11.997 2.663 ( 9.452 4.436 1.269) 10.518 2.663 ( -9.451 4.435 -1.264) 10.516 2.906 ( -4.049 -6.091 2.253) 7.653 2.906 ( 4.049 -6.089 -2.243) 7.649 3.156 ( -5.075 2.759 -0.041) 5.777 3.156 ( 5.073 2.754 0.041) 5.773 3.609 ( -3.732 -9.086 -8.733) 13.143 3.609 ( 3.731 -9.087 8.735) 13.145 4.211 ( -2.898 4.986 -3.066) 6.531 4.212 ( 2.897 4.986 3.066) 6.531 4.341 ( 0.859 -1.878 -2.274) 3.072 4.341 ( -0.860 -1.879 2.274) 3.072 4.666 ( -0.888 0.548 -2.828) 3.015 4.666 ( 0.887 0.547 2.830) 3.016 5.941 ( -0.136 -8.839 0.066) 8.840 5.941 ( 0.135 -8.839 -0.063) 8.840 6.555 ( 0.393 -4.754 -3.522) 5.929 6.555 ( -0.393 -4.753 3.521) 5.928 6.954 ( -14.073 -3.708 -3.161) 14.893 6.954 ( 14.074 -3.709 3.161) 14.894 7.580 ( -9.620 4.979 -1.531) 10.940 7.580 ( 9.618 4.978 1.532) 10.938 7.736 ( 0.645 -4.581 -1.647) 4.911 7.736 ( -0.646 -4.580 1.648) 4.911 8.074 ( -5.617 -8.685 0.025) 10.343 8.074 ( 5.618 -8.685 -0.024) 10.344 9.185 ( 0.349 -1.349 -7.217) 7.350 9.185 ( -0.350 -1.349 7.222) 7.355 9.386 ( -4.118 -0.030 -5.593) 6.945 9.386 ( 4.120 -0.030 5.589) 6.944 9.570 ( -2.520 1.541 -6.336) 6.991 9.570 ( 2.519 1.542 6.336) 6.991 10.179 ( -4.115 4.626 -10.271) 11.993 10.179 ( 4.112 4.626 10.272) 11.992 10.601 ( -2.358 4.141 -1.442) 4.979 10.601 ( 2.359 4.141 1.443) 4.980 11.571 ( 1.540 -1.420 -3.331) 3.935 11.572 ( -1.541 -1.422 3.333) 3.938 11.983 ( -6.653 -6.838 -5.471) 10.997 11.983 ( 6.652 -6.837 5.471) 10.996 12.577 ( -0.786 10.457 -6.662) 12.423 12.577 ( 0.786 10.458 6.663) 12.425 13.509 ( 1.482 1.300 -0.333) 1.999 13.510 ( -1.484 1.302 0.341) 2.004 15.062 ( 3.662 2.659 -4.572) 6.433 15.062 ( -3.662 2.656 4.576) 6.434 15.870 ( -0.113 -3.021 -10.887) 11.299 15.870 ( 0.114 -3.026 10.883) 11.296 16.341 ( 1.489 -6.118 7.305) 9.644 16.341 ( -1.494 -6.118 -7.290) 9.634 16.609 ( -3.013 -2.868 8.648) 9.596 16.610 ( 3.010 -2.877 -8.641) 9.592 17.535 ( -1.905 18.479 -4.467) 19.106 17.536 ( 1.906 18.472 4.469) 19.100 19.359 ( -1.165 -11.677 -22.018) 24.949 19.360 ( 1.164 -11.674 22.022) 24.953 ======================= Grid point 323 (154/170) ======================= q-point: ( 0.09 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 8.207 10.453 -11.343) 17.473 1.505 ( 1.395 8.407 1.192) 8.605 1.814 ( -0.433 9.509 0.731) 9.547 2.051 ( 3.157 5.152 3.344) 6.906 2.448 ( -10.826 6.128 0.764) 12.464 2.707 ( 1.218 6.261 -5.810) 8.628 2.862 ( -2.490 -6.419 -0.694) 6.920 2.936 ( -2.779 3.359 -1.919) 4.763 3.086 ( -1.082 -4.893 4.276) 6.588 3.270 ( 3.000 0.333 2.535) 3.942 3.458 ( -3.996 -8.944 -6.417) 11.710 3.758 ( 1.873 -7.694 7.960) 11.228 4.087 ( -7.058 2.473 -0.436) 7.492 4.183 ( -4.763 2.518 -2.365) 5.884 4.341 ( 2.382 -1.288 -5.080) 5.757 4.431 ( 5.194 1.508 3.824) 6.624 4.606 ( -1.169 -0.874 -4.282) 4.524 4.701 ( 0.443 -1.206 1.724) 2.150 5.857 ( -5.681 -7.959 -2.142) 10.010 5.945 ( -7.669 -8.550 7.274) 13.595 6.490 ( -4.648 -2.553 -2.660) 5.933 6.611 ( -0.514 0.408 4.793) 4.838 6.771 ( -2.340 -7.096 1.495) 7.620 7.159 ( 4.090 -8.594 1.452) 9.627 7.445 ( -5.262 3.476 1.968) 6.606 7.696 ( 1.083 -5.239 -2.063) 5.734 7.743 ( 0.968 -1.521 -1.154) 2.140 7.846 ( 13.018 2.675 2.421) 13.509 7.980 ( -3.360 -5.908 0.185) 6.799 8.169 ( 6.763 -9.678 -2.041) 11.982 9.036 ( -3.403 -0.850 -12.152) 12.648 9.146 ( 1.283 -1.508 -7.841) 8.087 9.348 ( -2.888 4.181 1.933) 5.437 9.444 ( 1.021 4.251 -2.783) 5.182 9.620 ( 5.450 -1.903 8.816) 10.538 9.741 ( 5.447 -0.177 7.115) 8.962 9.999 ( -0.444 5.686 -7.813) 9.673 10.254 ( -4.458 2.548 2.500) 5.711 10.604 ( 3.883 5.180 1.111) 6.569 10.678 ( 4.663 4.001 0.003) 6.145 11.540 ( -4.120 -0.696 -0.581) 4.219 11.591 ( 0.537 -2.647 1.654) 3.167 11.795 ( -6.774 -8.473 -5.384) 12.111 12.106 ( 3.502 -4.771 1.413) 6.085 12.529 ( 1.770 10.627 -4.138) 11.540 12.708 ( 3.708 10.935 9.158) 14.738 13.451 ( -5.497 0.794 -0.564) 5.583 13.507 ( -0.170 0.276 -1.163) 1.208 15.021 ( 7.737 2.322 -9.583) 12.533 15.218 ( 3.622 1.563 11.481) 12.139 15.731 ( -1.668 1.180 -5.463) 5.832 15.970 ( -3.322 -4.483 7.582) 9.414 16.267 ( 1.022 -4.528 -1.367) 4.839 16.448 ( -0.513 -7.743 4.140) 8.795 16.620 ( 7.693 -0.139 -6.514) 10.081 16.743 ( 8.998 -4.243 7.874) 12.688 17.420 ( -5.132 14.198 -3.493) 15.496 17.593 ( -0.575 20.306 2.666) 20.488 19.041 ( -5.991 -9.922 -23.572) 26.268 19.562 ( -4.716 -13.269 18.860) 23.538 ======================= Grid point 324 (155/170) ======================= q-point: ( 0.18 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 8.982 10.341 -9.358) 16.589 1.543 ( 6.589 5.750 -5.135) 10.141 1.880 ( 0.612 10.132 6.921) 12.285 1.993 ( -8.459 2.919 0.566) 8.966 2.452 ( 0.813 5.976 9.446) 11.207 2.668 ( 3.385 7.302 -5.597) 9.803 2.800 ( -3.695 4.801 -6.999) 9.256 2.819 ( -4.857 -4.444 3.476) 7.444 3.120 ( -2.117 -3.394 3.066) 5.040 3.305 ( -3.361 -3.879 3.910) 6.452 3.321 ( -4.371 -6.037 -5.821) 9.457 3.781 ( -5.884 -6.966 0.036) 9.118 4.025 ( -2.185 1.047 4.978) 5.537 4.070 ( -3.473 -0.963 -4.732) 5.948 4.303 ( 1.773 -2.413 -7.509) 8.084 4.473 ( -0.455 2.786 -6.324) 6.925 4.598 ( 3.909 -3.416 0.549) 5.220 4.727 ( -0.182 -4.477 2.882) 5.327 5.709 ( -9.401 -4.909 -1.609) 10.727 5.849 ( -13.015 -6.600 7.250) 16.294 6.380 ( -4.319 -0.689 -0.485) 4.400 6.658 ( -0.496 1.415 5.646) 5.842 6.861 ( 5.486 -7.502 3.955) 10.101 7.139 ( -3.949 -9.719 -0.886) 10.528 7.424 ( -2.066 2.352 2.520) 4.019 7.660 ( -1.033 -7.873 -4.343) 9.051 7.728 ( -2.387 -5.961 1.064) 6.508 7.889 ( -2.346 -2.266 1.610) 3.638 8.163 ( 9.502 -2.370 -0.103) 9.794 8.272 ( 13.154 -5.252 -1.799) 14.278 8.868 ( -0.142 1.523 -9.595) 9.716 9.133 ( 7.353 0.362 -10.127) 12.520 9.224 ( -8.153 8.464 -3.609) 12.294 9.459 ( 3.397 5.526 -0.556) 6.510 9.816 ( 6.363 -2.859 6.480) 9.521 9.843 ( 1.177 2.024 4.791) 5.333 10.078 ( 9.359 1.508 2.913) 9.917 10.183 ( -3.675 5.465 1.735) 6.810 10.702 ( 5.379 2.057 0.883) 5.826 10.736 ( 3.447 5.912 -2.508) 7.289 11.400 ( -8.574 -1.946 -3.702) 9.540 11.599 ( -4.597 -9.337 2.315) 10.662 11.687 ( 0.182 -1.616 -2.440) 2.932 12.146 ( 0.627 -3.086 -0.003) 3.149 12.531 ( 3.214 12.496 -2.888) 13.222 12.868 ( 3.500 10.005 7.042) 12.726 13.330 ( -6.688 -1.314 -1.668) 7.017 13.493 ( 0.001 -0.921 -0.793) 1.215 15.071 ( 7.155 2.071 -5.073) 9.012 15.419 ( 9.363 -0.498 5.633) 10.938 15.737 ( 2.588 4.404 4.292) 6.672 15.967 ( -2.449 -2.028 3.785) 4.944 16.315 ( 1.824 -3.890 3.482) 5.530 16.446 ( -1.034 -6.268 -0.004) 6.353 16.669 ( 5.548 2.804 -6.214) 8.790 16.987 ( 7.061 0.368 3.449) 7.867 17.356 ( 1.092 3.977 3.088) 5.153 17.587 ( -1.449 18.402 1.389) 18.512 18.649 ( -8.914 -8.435 -23.468) 26.483 19.621 ( -10.750 -14.556 14.560) 23.226 ======================= Grid point 325 (156/170) ======================= q-point: ( 0.27 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 6.073 6.411 -6.006) 10.679 1.623 ( 11.018 9.516 -4.544) 15.251 1.903 ( -5.515 3.631 3.706) 7.572 1.951 ( -3.637 7.708 12.492) 15.122 2.567 ( 2.629 -0.675 6.171) 6.742 2.639 ( -7.186 -4.467 -2.006) 8.696 2.722 ( 4.331 11.343 -0.825) 12.170 2.820 ( -0.695 2.230 0.917) 2.510 3.117 ( -0.427 2.473 4.355) 5.026 3.141 ( -9.077 -4.063 -4.720) 11.008 3.266 ( -5.137 -4.896 0.212) 7.099 3.657 ( -5.969 -7.666 -0.230) 9.719 3.954 ( -1.131 -1.206 -7.981) 8.151 4.076 ( 0.838 -2.827 2.495) 3.862 4.220 ( -1.206 -2.327 -8.946) 9.322 4.373 ( -0.456 -0.759 -8.573) 8.619 4.650 ( 1.819 -5.630 -0.333) 5.925 4.755 ( -1.001 -6.083 2.809) 6.775 5.526 ( -9.502 -0.664 -1.811) 9.696 5.706 ( -12.134 -3.858 5.374) 13.820 6.349 ( -1.033 -2.897 2.714) 4.102 6.713 ( 0.418 1.484 3.707) 4.015 6.964 ( 0.728 -2.591 1.960) 3.329 7.066 ( -1.390 -13.530 -1.476) 13.681 7.413 ( -2.221 4.019 0.897) 4.679 7.566 ( -5.268 -1.632 -1.094) 5.623 7.722 ( 0.631 -8.937 1.219) 9.042 7.895 ( -1.373 -7.428 4.074) 8.582 8.180 ( 0.120 -6.550 -3.298) 7.335 8.475 ( 10.278 -8.302 -7.173) 15.034 8.855 ( 5.271 7.777 -4.133) 10.264 9.025 ( 0.779 7.475 -8.220) 11.138 9.185 ( 0.740 7.054 0.221) 7.096 9.551 ( 6.946 1.533 2.102) 7.417 9.897 ( 4.323 6.297 1.229) 7.736 10.013 ( 4.095 -2.392 9.775) 10.865 10.206 ( 2.825 9.643 3.166) 10.535 10.268 ( 8.223 -1.087 2.021) 8.537 10.726 ( 0.289 6.322 -4.690) 7.877 10.792 ( 5.153 -1.264 -0.393) 5.320 11.216 ( -8.387 -2.904 -3.092) 9.399 11.497 ( -7.364 -10.443 0.073) 12.778 11.707 ( 1.931 1.717 0.062) 2.585 12.126 ( -2.283 -0.996 -1.264) 2.793 12.575 ( 4.896 14.050 -0.997) 14.912 12.955 ( 0.596 7.234 2.091) 7.553 13.224 ( -3.408 -3.965 -1.114) 5.346 13.481 ( -0.836 -0.696 -0.959) 1.450 15.144 ( 6.035 3.510 -0.451) 6.996 15.664 ( 12.805 -1.074 3.698) 13.371 15.823 ( -1.034 -2.109 6.545) 6.953 16.050 ( 6.564 6.862 5.862) 11.160 16.348 ( -0.453 -4.483 -2.117) 4.979 16.452 ( -1.163 -1.042 5.071) 5.306 16.640 ( 3.501 5.587 -10.656) 12.530 17.036 ( -0.474 2.906 2.124) 3.630 17.383 ( -6.742 13.498 1.448) 15.158 17.731 ( 13.585 -0.938 6.151) 14.942 18.247 ( -7.396 -9.402 -21.277) 24.409 19.534 ( -15.969 -15.495 9.709) 24.277 ======================= Grid point 326 (157/170) ======================= q-point: ( 0.36 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 0.271 0.605 -3.080) 3.151 1.785 ( 0.292 6.788 -0.272) 6.800 1.856 ( 6.696 6.399 2.599) 9.619 2.127 ( 3.329 6.088 15.767) 17.226 2.487 ( -7.134 -0.530 -1.843) 7.387 2.669 ( -0.383 -3.173 3.199) 4.522 2.779 ( 1.988 1.655 -0.646) 2.666 2.781 ( -2.541 4.174 1.799) 5.207 2.934 ( -9.230 3.456 -0.635) 9.877 3.153 ( -3.720 -0.008 -3.587) 5.168 3.256 ( 6.433 -0.750 4.622) 7.957 3.602 ( -3.485 -8.276 3.615) 9.680 3.865 ( 1.419 -0.758 -8.490) 8.641 4.034 ( -2.490 -1.641 -6.472) 7.126 4.135 ( 0.419 -5.256 -3.355) 6.250 4.253 ( -1.933 -1.503 -9.830) 10.130 4.661 ( -0.878 -10.319 1.157) 10.421 4.739 ( -2.614 -6.396 -0.144) 6.911 5.386 ( -4.575 2.206 -0.803) 5.142 5.572 ( -9.557 -1.673 2.649) 10.057 6.407 ( 2.330 -5.005 5.651) 7.901 6.747 ( 0.088 -0.280 1.172) 1.209 6.909 ( -3.964 -1.692 -2.375) 4.921 7.062 ( -0.037 -11.343 -2.821) 11.688 7.362 ( -1.872 5.844 -0.845) 6.194 7.502 ( -4.324 3.055 2.947) 6.060 7.772 ( 4.046 -7.185 0.049) 8.246 7.917 ( -2.796 -10.371 5.018) 11.856 8.159 ( -0.705 -9.795 2.359) 10.099 8.465 ( 3.008 -11.974 -11.261) 16.710 8.830 ( 2.509 9.612 -6.674) 11.968 8.979 ( -2.464 5.100 -3.961) 6.912 9.336 ( 10.692 11.421 8.874) 17.986 9.698 ( 6.328 1.873 1.759) 6.830 10.012 ( 5.694 8.644 3.688) 10.988 10.163 ( 1.592 -2.079 8.177) 8.586 10.288 ( 3.432 12.015 -0.024) 12.495 10.375 ( 3.806 -0.849 -1.844) 4.314 10.661 ( -0.995 4.582 -3.651) 5.942 10.853 ( 3.160 -5.990 -3.938) 7.834 11.075 ( -4.347 -3.059 0.163) 5.318 11.385 ( -6.875 -9.381 0.896) 11.666 11.743 ( 2.091 3.756 1.065) 4.429 12.046 ( -4.046 2.148 -3.200) 5.588 12.672 ( 6.364 13.278 1.355) 14.787 12.954 ( -0.913 5.686 -0.752) 5.807 13.191 ( 0.117 -5.766 -0.429) 5.783 13.427 ( -3.727 -0.282 -2.086) 4.281 15.280 ( 7.796 5.288 4.384) 10.391 15.788 ( -1.068 -4.684 0.527) 4.833 15.956 ( 7.556 0.027 4.810) 8.957 16.235 ( -4.537 -2.118 1.413) 5.203 16.278 ( 7.210 13.897 2.329) 15.828 16.492 ( 4.196 -1.727 0.049) 4.537 16.637 ( 5.036 1.992 -2.634) 6.022 17.050 ( -1.241 4.469 0.005) 4.638 17.242 ( -9.288 12.530 1.628) 15.682 17.745 ( -9.935 1.947 -13.091) 16.549 18.231 ( 20.527 -16.634 0.924) 26.437 19.317 ( -19.712 -16.087 4.942) 25.919 ======================= Grid point 327 (158/170) ======================= q-point: ( 0.45 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 4.661 -2.285 -0.631) 5.229 1.659 ( -9.865 -2.922 0.217) 10.291 2.113 ( 13.355 10.483 4.065) 17.458 2.291 ( -3.073 7.081 4.236) 8.805 2.409 ( 2.693 1.441 -0.822) 3.163 2.560 ( -10.041 -1.290 -2.387) 10.401 2.757 ( 0.953 3.851 2.968) 4.955 2.815 ( -1.308 2.411 0.765) 2.848 2.929 ( 2.588 2.776 5.052) 6.319 3.041 ( -4.060 -1.082 -4.194) 5.937 3.396 ( 6.675 -1.994 1.387) 7.104 3.545 ( -6.622 -5.660 -2.952) 9.198 3.853 ( 3.852 0.324 4.241) 5.738 4.015 ( 3.255 -3.248 -3.319) 5.671 4.035 ( -3.695 -2.258 -5.486) 6.989 4.125 ( -2.965 -5.732 -5.144) 8.253 4.658 ( -0.423 -10.570 1.154) 10.641 4.687 ( -2.274 -7.975 -0.973) 8.350 5.368 ( 2.394 2.015 0.315) 3.144 5.451 ( -6.848 0.260 0.354) 6.862 6.542 ( 4.935 -6.832 6.880) 10.879 6.697 ( -5.197 -6.713 -3.733) 9.274 6.874 ( 3.143 1.829 -0.331) 3.651 6.970 ( -4.806 -1.959 -3.726) 6.388 7.383 ( 3.420 4.070 0.890) 5.390 7.454 ( -4.540 3.596 1.084) 5.893 7.842 ( 4.749 -7.040 -1.087) 8.561 7.899 ( -3.941 -8.424 1.978) 9.508 8.227 ( -0.316 -13.769 10.471) 17.301 8.356 ( 0.398 -13.999 -12.351) 18.673 8.834 ( 3.527 9.050 -1.870) 9.892 8.893 ( -3.365 7.639 -1.812) 8.542 9.611 ( 8.605 9.905 8.208) 15.477 9.753 ( -0.420 6.320 -2.531) 6.821 10.147 ( 4.698 8.301 4.092) 10.379 10.231 ( -2.607 3.070 2.928) 4.980 10.306 ( 2.966 6.578 -3.148) 7.873 10.354 ( -2.025 0.561 -2.351) 3.153 10.663 ( 2.902 0.591 1.380) 3.268 10.767 ( -4.423 -3.745 -5.066) 7.698 11.131 ( 6.579 -7.069 2.250) 9.915 11.270 ( -7.736 -9.152 -0.231) 11.986 11.815 ( 3.774 5.556 3.296) 7.482 11.930 ( -4.509 4.720 -4.253) 7.791 12.802 ( 5.912 10.523 2.703) 12.369 12.908 ( -3.084 7.431 -2.167) 8.332 13.222 ( 3.566 -5.141 0.830) 6.311 13.321 ( -5.512 -1.812 -2.274) 6.232 15.490 ( 8.844 4.768 7.447) 12.506 15.702 ( -6.232 -0.032 -5.602) 8.380 16.057 ( 3.445 -0.082 -1.313) 3.688 16.108 ( -5.709 3.293 0.781) 6.637 16.526 ( 5.617 -0.594 12.146) 13.395 16.605 ( 9.610 2.348 -5.816) 11.476 16.695 ( 4.622 4.767 0.661) 6.673 16.901 ( -11.749 10.819 -4.513) 16.597 17.233 ( 1.651 4.352 7.411) 8.751 17.430 ( -8.469 2.278 -11.997) 14.860 18.623 ( 22.531 -16.266 2.086) 27.867 19.002 ( -21.818 -16.333 0.824) 27.267 ======================= Grid point 333 (159/170) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 0.746 12.415 -2.696) 12.727 1.727 ( -0.752 12.417 2.702) 12.730 2.086 ( 6.539 9.444 0.916) 11.524 2.086 ( -6.535 9.441 -0.913) 11.519 2.549 ( 3.253 -11.063 -5.041) 12.585 2.549 ( -3.247 -11.067 5.046) 12.589 2.858 ( 0.988 -0.940 1.866) 2.311 2.859 ( -0.992 -0.946 -1.860) 2.310 3.220 ( 0.694 0.376 -3.598) 3.683 3.220 ( -0.694 0.377 3.598) 3.684 3.466 ( -3.555 -2.423 -9.456) 10.389 3.466 ( 3.555 -2.422 9.459) 10.391 4.263 ( -4.787 0.112 -4.156) 6.340 4.263 ( 4.787 0.112 4.153) 6.339 4.363 ( -1.528 3.687 -1.551) 4.282 4.363 ( 1.527 3.688 1.552) 4.282 4.695 ( -0.662 1.713 -1.225) 2.207 4.695 ( 0.662 1.713 1.227) 2.209 5.746 ( -0.366 -8.362 -0.400) 8.380 5.746 ( 0.365 -8.366 0.404) 8.384 6.444 ( -0.450 -5.255 -1.906) 5.608 6.444 ( 0.450 -5.255 1.906) 5.608 6.890 ( -7.388 -2.027 -1.919) 7.898 6.890 ( 7.391 -2.026 1.918) 7.900 7.624 ( -8.839 -0.442 -0.168) 8.851 7.624 ( 8.841 -0.442 0.170) 8.853 7.701 ( -1.500 0.822 -1.706) 2.416 7.701 ( 1.495 0.822 1.707) 2.413 7.907 ( -1.495 -6.526 -0.163) 6.697 7.907 ( 1.495 -6.527 0.164) 6.698 9.168 ( 0.502 0.106 -6.244) 6.265 9.168 ( -0.503 0.107 6.251) 6.272 9.365 ( -2.202 -1.757 -6.030) 6.655 9.365 ( 2.204 -1.758 6.026) 6.653 9.614 ( -1.854 2.091 -3.495) 4.475 9.614 ( 1.853 2.092 3.494) 4.474 10.251 ( -2.223 2.369 -5.271) 6.192 10.251 ( 2.220 2.368 5.274) 6.193 10.665 ( -1.641 1.753 -0.790) 2.528 10.665 ( 1.642 1.754 0.792) 2.530 11.584 ( -6.336 2.574 1.422) 6.985 11.584 ( 6.336 2.576 -1.421) 6.985 11.830 ( -8.957 -7.237 -3.153) 11.939 11.830 ( 8.956 -7.237 3.153) 11.938 12.784 ( -1.053 8.106 -4.552) 9.356 12.784 ( 1.053 8.105 4.554) 9.356 13.526 ( 0.773 0.342 -0.084) 0.849 13.527 ( -0.775 0.335 0.091) 0.849 15.111 ( 1.032 1.625 -7.913) 8.144 15.111 ( -1.033 1.624 7.914) 8.145 15.853 ( 0.702 1.922 -6.283) 6.608 15.853 ( -0.701 1.914 6.283) 6.605 16.174 ( -1.861 -9.036 7.031) 11.599 16.174 ( 1.859 -9.040 -7.021) 11.597 16.581 ( -3.215 -0.295 4.865) 5.838 16.582 ( 3.211 -0.301 -4.859) 5.833 17.901 ( -2.102 15.148 -6.729) 16.708 17.901 ( 2.102 15.135 6.726) 16.695 19.104 ( -0.888 -11.526 -13.871) 18.057 19.104 ( 0.887 -11.527 13.882) 18.065 ======================= Grid point 335 (160/170) ======================= q-point: ( 0.09 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 2.051 10.983 -5.157) 12.306 1.723 ( 1.925 11.339 -4.458) 12.335 2.019 ( -2.880 9.414 3.745) 10.533 2.182 ( 1.040 7.359 -0.848) 7.480 2.453 ( -3.371 -6.973 2.405) 8.110 2.628 ( 1.606 -8.181 3.592) 9.078 2.748 ( -6.766 -0.202 2.242) 7.130 2.966 ( -0.077 -4.833 5.322) 7.189 3.155 ( -2.616 2.416 -2.444) 4.319 3.259 ( 2.150 2.677 -1.759) 3.858 3.311 ( -2.695 -3.103 -7.588) 8.630 3.607 ( 1.237 -6.152 6.331) 8.915 4.146 ( -5.474 4.387 -0.253) 7.020 4.263 ( -5.729 4.795 -4.385) 8.663 4.338 ( 1.910 -0.302 -5.484) 5.815 4.413 ( 2.526 -2.469 5.253) 6.330 4.632 ( -2.628 2.239 -4.805) 5.917 4.686 ( -1.240 -0.571 -1.587) 2.094 5.695 ( -4.585 -6.450 0.538) 7.932 5.748 ( -4.955 -8.873 4.747) 11.217 6.421 ( -0.788 -2.776 -0.652) 2.958 6.536 ( 6.297 -6.514 2.334) 9.355 6.740 ( -8.267 2.756 2.296) 9.011 6.960 ( -2.082 -8.588 2.124) 9.089 7.501 ( -4.909 1.811 1.254) 5.380 7.601 ( -2.676 -3.523 -1.942) 4.832 7.727 ( -0.806 0.481 -1.004) 1.374 7.859 ( -1.239 -5.273 0.136) 5.418 7.900 ( 15.345 1.420 0.710) 15.427 8.001 ( 9.645 -5.836 -2.271) 11.499 9.034 ( -2.025 0.968 -10.921) 11.149 9.113 ( 1.437 -1.707 -8.543) 8.830 9.392 ( 0.509 1.675 4.895) 5.198 9.503 ( 2.294 -0.633 4.765) 5.326 9.622 ( 3.498 2.792 4.453) 6.314 9.731 ( 4.834 -0.963 5.097) 7.090 10.128 ( -1.429 6.128 -6.152) 8.800 10.281 ( -1.652 -0.284 0.227) 1.692 10.673 ( 2.524 2.377 0.331) 3.483 10.736 ( 4.441 0.670 1.197) 4.648 11.483 ( -7.665 -0.820 1.337) 7.824 11.622 ( -10.163 -4.865 -3.884) 11.918 11.675 ( 5.321 4.027 -0.640) 6.704 11.972 ( 5.767 -7.466 0.396) 9.443 12.761 ( 2.494 10.396 -2.203) 10.915 12.895 ( 4.227 5.833 6.381) 9.623 13.455 ( -4.967 0.199 -3.210) 5.917 13.505 ( -3.100 -0.790 -0.202) 3.205 15.087 ( 5.250 3.678 -5.054) 8.163 15.218 ( 4.151 -1.526 5.514) 7.068 15.815 ( 0.044 6.873 1.103) 6.962 15.923 ( 0.832 0.300 3.406) 3.519 16.142 ( 3.376 -6.938 -2.697) 8.173 16.251 ( 2.794 -10.623 0.802) 11.014 16.621 ( 3.751 0.443 1.755) 4.165 16.679 ( 7.015 -2.129 6.731) 9.953 17.733 ( -6.587 14.879 -8.907) 18.550 17.956 ( -1.478 11.867 1.092) 12.008 18.863 ( -6.689 -4.654 -14.426) 16.569 19.250 ( -4.456 -15.802 14.265) 21.750 ======================= Grid point 336 (161/170) ======================= q-point: ( 0.18 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 4.043 8.167 -4.126) 10.004 1.738 ( 4.067 12.275 -1.492) 13.018 1.993 ( -4.067 2.562 -0.452) 4.828 2.142 ( -4.924 7.725 4.461) 10.189 2.497 ( 2.475 -4.157 3.302) 5.858 2.657 ( -7.738 2.535 2.804) 8.612 2.720 ( 0.505 -3.990 7.520) 8.527 2.958 ( -4.500 -3.847 2.585) 6.460 3.083 ( -2.035 3.197 -3.254) 4.995 3.191 ( -3.085 -2.363 -3.690) 5.359 3.285 ( 1.808 0.865 -1.030) 2.254 3.606 ( -4.843 -8.994 -0.861) 10.252 4.092 ( -4.639 5.686 4.386) 8.549 4.103 ( -5.553 4.352 -5.669) 9.050 4.271 ( 2.227 -0.943 -10.218) 10.501 4.482 ( -3.415 -3.698 -0.542) 5.063 4.538 ( 1.861 -0.898 -3.435) 4.009 4.631 ( -2.679 -4.680 -1.872) 5.709 5.610 ( -6.892 -3.738 1.511) 7.985 5.692 ( -8.239 -7.406 5.385) 12.318 6.371 ( -3.127 1.036 -1.498) 3.619 6.663 ( 3.438 -7.132 2.536) 8.313 6.723 ( 1.139 -0.036 4.933) 5.063 6.914 ( -4.305 -8.552 2.110) 9.805 7.478 ( -1.452 1.741 3.275) 3.984 7.551 ( -0.529 -3.153 -1.981) 3.761 7.665 ( -4.228 0.007 -0.933) 4.329 7.817 ( -2.654 -4.442 -0.310) 5.183 8.096 ( 7.094 -1.896 -4.478) 8.600 8.185 ( 14.898 -4.143 -3.649) 15.889 8.936 ( 3.619 4.426 -6.083) 8.348 9.109 ( 8.473 -2.599 -7.782) 11.794 9.374 ( -4.826 6.377 -0.720) 8.029 9.536 ( -0.736 1.344 0.548) 1.627 9.777 ( 4.789 -0.295 8.192) 9.494 9.865 ( 4.419 -1.013 5.792) 7.355 10.145 ( 7.062 5.045 -0.366) 8.687 10.274 ( 1.453 2.111 1.776) 3.118 10.728 ( 3.588 1.489 -0.700) 3.947 10.807 ( 3.540 0.322 -1.399) 3.821 11.342 ( -9.301 -1.980 -1.643) 9.651 11.431 ( -9.220 -6.105 -0.363) 11.064 11.748 ( 4.055 5.759 -0.582) 7.067 12.040 ( 3.070 -6.558 -0.817) 7.287 12.799 ( 3.930 12.078 -1.342) 12.772 13.028 ( 3.202 3.992 4.513) 6.823 13.305 ( -7.186 0.014 -4.326) 8.388 13.451 ( -2.184 -3.330 -0.336) 3.996 15.156 ( 6.197 5.547 -0.482) 8.331 15.378 ( 8.963 -3.405 4.265) 10.494 15.841 ( -1.817 6.005 2.979) 6.945 16.004 ( 5.811 4.411 4.108) 8.373 16.191 ( 3.943 -7.407 -2.136) 8.659 16.303 ( 5.290 -7.166 -0.863) 8.949 16.727 ( 5.052 3.241 2.944) 6.686 16.938 ( 12.235 -4.974 7.817) 15.347 17.510 ( -7.976 10.915 -7.142) 15.289 17.874 ( -4.876 4.064 -6.078) 8.789 18.576 ( -10.883 5.422 -10.252) 15.904 19.270 ( -10.343 -18.500 11.028) 23.892 ======================= Grid point 337 (162/170) ======================= q-point: ( 0.27 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( -2.183 9.131 -2.083) 9.616 1.847 ( 9.589 10.920 1.515) 14.611 1.941 ( -4.668 0.410 4.773) 6.689 2.108 ( -4.615 4.199 6.631) 9.104 2.517 ( -5.908 -3.678 -0.228) 6.963 2.608 ( 1.127 3.835 3.009) 5.003 2.748 ( -2.943 -4.012 2.138) 5.416 2.937 ( -3.979 -1.224 1.866) 4.562 3.023 ( -1.629 -2.033 -0.666) 2.689 3.115 ( -3.879 -1.357 1.355) 4.327 3.306 ( 2.569 5.665 -0.158) 6.222 3.502 ( -4.562 -6.647 0.099) 8.062 3.960 ( -1.675 2.683 -8.333) 8.913 4.065 ( -3.157 1.471 1.633) 3.847 4.191 ( -0.489 0.506 -8.484) 8.514 4.357 ( -1.531 -0.308 -8.710) 8.849 4.515 ( -3.119 -6.343 -3.269) 7.788 4.589 ( -2.314 -10.156 1.605) 10.539 5.508 ( -6.841 -0.598 1.199) 6.971 5.608 ( -8.078 -5.059 4.240) 10.431 6.321 ( -1.727 1.352 0.808) 2.338 6.679 ( -2.548 -10.524 0.025) 10.828 6.812 ( 3.212 -1.998 2.046) 4.301 6.914 ( 1.803 -2.855 1.237) 3.596 7.510 ( -0.834 3.331 3.927) 5.217 7.546 ( -0.532 -0.742 2.201) 2.383 7.595 ( -2.189 -1.801 0.492) 2.877 7.771 ( -2.915 -5.237 0.659) 6.030 8.094 ( 1.280 -1.101 -6.897) 7.101 8.287 ( 6.621 -8.579 -9.832) 14.632 9.004 ( 7.009 5.885 -3.646) 9.851 9.120 ( 3.380 1.492 -10.134) 10.787 9.353 ( 3.131 8.276 4.126) 9.763 9.554 ( 3.043 -0.849 3.634) 4.815 9.945 ( 4.237 -0.402 8.268) 9.299 10.020 ( 4.404 0.187 8.207) 9.316 10.282 ( 8.073 3.706 0.025) 8.883 10.379 ( 6.390 5.367 3.808) 9.173 10.757 ( 2.348 -1.014 -3.774) 4.559 10.808 ( 0.586 0.907 -4.853) 4.972 11.166 ( -9.130 -1.178 -1.336) 9.302 11.295 ( -8.045 -7.771 1.347) 11.266 11.801 ( 3.222 6.204 -0.317) 6.998 12.064 ( 1.146 -4.735 -1.071) 4.988 12.845 ( 2.836 10.621 -0.973) 11.036 13.080 ( -0.206 1.925 0.439) 1.985 13.157 ( -4.186 1.041 -3.243) 5.396 13.433 ( -0.258 -4.279 -0.173) 4.290 15.278 ( 6.211 8.534 4.134) 11.336 15.600 ( 9.470 -4.836 5.525) 11.983 15.834 ( -0.553 3.575 2.076) 4.171 16.122 ( -1.504 -4.442 4.107) 6.234 16.280 ( 14.997 1.934 -4.329) 15.729 16.414 ( 6.141 -2.416 1.554) 6.780 16.814 ( 3.802 10.526 -3.230) 11.648 17.124 ( 1.231 3.795 -0.053) 3.990 17.435 ( 2.150 -3.787 6.106) 7.500 17.694 ( -2.172 -8.388 -10.077) 13.290 18.279 ( -13.836 15.525 -5.982) 21.640 19.156 ( -15.313 -20.143 6.897) 26.226 ======================= Grid point 338 (163/170) ======================= q-point: ( 0.36 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -5.932 5.761 -2.400) 8.610 1.814 ( -12.837 -1.251 1.846) 13.030 2.091 ( 12.659 10.971 5.009) 17.484 2.239 ( 4.041 3.232 12.848) 13.851 2.417 ( -3.865 -2.225 -0.278) 4.469 2.633 ( -1.720 1.092 0.124) 2.041 2.713 ( -0.880 -7.026 -1.920) 7.336 2.853 ( -5.380 -0.378 0.880) 5.464 2.999 ( -1.577 0.159 1.140) 1.953 3.071 ( -2.122 -1.493 -1.836) 3.179 3.413 ( 4.138 8.673 5.313) 10.981 3.482 ( -1.106 -1.974 6.372) 6.762 3.867 ( 1.732 1.635 -8.696) 9.016 4.026 ( -2.260 -0.234 -2.595) 3.449 4.046 ( -3.104 -1.122 -7.785) 8.456 4.233 ( -1.846 0.137 -11.092) 11.246 4.425 ( -3.303 -11.035 -0.772) 11.545 4.541 ( -4.688 -11.983 0.193) 12.869 5.427 ( -3.831 1.667 0.813) 4.256 5.524 ( -6.341 -2.814 2.150) 7.263 6.340 ( 1.025 -0.442 3.589) 3.759 6.614 ( -3.662 -11.193 -1.555) 11.879 6.869 ( 3.835 1.131 -1.900) 4.426 6.959 ( 1.333 -1.935 0.662) 2.441 7.498 ( -1.252 6.276 -1.135) 6.500 7.548 ( -2.642 1.621 4.096) 5.137 7.656 ( 3.449 -3.810 3.598) 6.274 7.745 ( -3.724 -6.333 5.037) 8.907 8.020 ( -1.123 -2.907 -4.701) 5.640 8.223 ( 1.838 -10.328 -12.517) 16.331 9.001 ( 2.292 6.142 -6.437) 9.188 9.065 ( -0.215 2.658 -4.442) 5.181 9.548 ( 10.470 8.485 7.177) 15.269 9.711 ( 7.210 -0.368 5.330) 8.974 10.102 ( 3.467 0.046 8.151) 8.858 10.174 ( 2.015 1.127 9.156) 9.442 10.376 ( 4.396 3.430 -3.029) 6.345 10.523 ( 5.514 9.364 0.679) 10.888 10.708 ( -0.124 -5.866 -6.830) 9.004 10.741 ( -0.512 0.754 -4.785) 4.871 11.029 ( -5.661 -0.810 0.011) 5.719 11.192 ( -6.963 -8.129 1.853) 10.863 11.857 ( 3.256 6.341 1.121) 7.216 12.054 ( -0.490 -1.512 -1.691) 2.321 12.867 ( 1.011 4.701 -0.140) 4.811 13.040 ( -2.343 -3.305 -2.501) 4.761 13.131 ( 2.703 7.003 0.219) 7.510 13.411 ( -1.885 -2.136 -1.486) 3.214 15.448 ( 6.086 9.676 6.956) 13.381 15.712 ( -0.857 -2.709 2.238) 3.616 15.946 ( 7.497 -0.398 3.733) 8.385 16.133 ( 1.220 -7.083 3.727) 8.096 16.474 ( -0.718 2.207 -2.345) 3.300 16.504 ( 13.898 2.585 -3.401) 14.540 16.784 ( 4.676 13.601 -7.758) 16.341 17.137 ( -0.553 3.734 1.204) 3.962 17.361 ( -8.238 -0.435 -1.714) 8.425 17.825 ( 12.403 -17.384 1.825) 21.433 18.000 ( -9.729 17.497 -2.026) 20.122 18.925 ( -18.661 -20.936 2.579) 28.164 ======================= Grid point 339 (164/170) ======================= q-point: ( 0.45 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 1.310 1.244 -1.292) 2.221 1.614 ( -10.968 -1.808 0.717) 11.139 2.335 ( 8.448 6.670 2.379) 11.024 2.390 ( 4.999 2.794 2.872) 6.407 2.405 ( -3.285 -0.595 4.736) 5.794 2.545 ( -6.376 4.059 -2.413) 7.934 2.741 ( 5.980 -4.673 0.193) 7.591 2.813 ( -3.337 -2.683 3.078) 5.273 2.979 ( -0.683 -1.214 -0.700) 1.559 3.009 ( -2.160 -0.778 -2.543) 3.427 3.486 ( -1.580 8.275 9.677) 12.831 3.574 ( 2.574 9.108 -4.972) 10.692 3.831 ( 1.708 -2.335 3.639) 4.649 3.957 ( 0.552 -1.252 0.569) 1.482 3.972 ( 0.288 -3.728 -9.545) 10.251 4.046 ( -5.574 -2.324 -7.817) 9.878 4.405 ( 0.764 -11.893 0.728) 11.939 4.458 ( -4.325 -12.416 -0.541) 13.159 5.408 ( 0.544 1.533 0.608) 1.737 5.450 ( -3.980 -0.451 0.265) 4.014 6.424 ( 2.844 -3.559 4.854) 6.657 6.527 ( -3.438 -7.758 -3.558) 9.202 6.912 ( 4.182 1.750 -1.973) 4.944 6.957 ( -2.428 -0.255 0.711) 2.542 7.491 ( 1.747 5.295 -0.514) 5.599 7.529 ( -3.225 3.265 1.267) 4.761 7.730 ( 4.167 -3.499 -1.952) 5.780 7.755 ( -3.882 -4.966 6.077) 8.756 7.997 ( -1.171 -7.555 5.710) 9.542 8.096 ( 0.522 -10.323 -12.435) 16.170 8.990 ( 2.153 5.430 -2.057) 6.193 9.017 ( -1.357 3.987 -1.488) 4.467 9.780 ( 7.177 5.964 5.042) 10.606 9.843 ( 2.456 2.345 1.248) 3.618 10.231 ( 1.381 0.608 7.384) 7.537 10.295 ( 1.409 5.094 5.143) 7.374 10.354 ( -1.024 -0.306 -1.179) 1.591 10.472 ( -1.687 4.424 -11.277) 12.231 10.701 ( -0.711 0.686 3.295) 3.439 10.707 ( 2.473 1.307 -4.139) 4.995 11.004 ( 2.807 -4.510 0.167) 5.315 11.092 ( -6.799 -7.433 0.721) 10.099 11.933 ( 3.149 5.257 2.598) 6.656 12.008 ( -2.093 2.370 -2.602) 4.095 12.898 ( 1.965 -0.197 1.693) 2.601 12.966 ( -2.736 -2.764 -2.857) 4.825 13.219 ( 5.397 5.670 2.142) 8.116 13.333 ( -4.536 1.744 -2.528) 5.478 15.606 ( 3.900 5.086 5.330) 8.336 15.691 ( -2.266 -0.751 -1.021) 2.597 16.068 ( 5.480 2.331 2.979) 6.659 16.204 ( -2.828 4.126 -2.203) 5.466 16.437 ( 1.646 -4.355 7.409) 8.750 16.577 ( 2.373 -4.089 -9.387) 10.511 16.866 ( 9.678 7.250 -2.432) 12.334 17.015 ( -7.975 0.253 -3.871) 8.869 17.401 ( 5.437 12.648 9.063) 16.482 17.651 ( -12.304 17.202 -7.248) 22.357 18.242 ( 19.286 -18.911 4.609) 27.401 18.607 ( -20.056 -20.817 -1.400) 28.940 ======================= Grid point 345 (165/170) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -0.003 -0.002 0.006) 0.007 1.881 ( -0.003 0.003 0.006) 0.007 2.286 ( 0.012 -0.032 -0.005) 0.035 2.286 ( 0.012 0.032 -0.005) 0.034 2.319 ( -0.009 -0.029 0.006) 0.031 2.319 ( -0.009 0.030 0.006) 0.032 2.841 ( 0.000 -0.007 0.003) 0.007 2.841 ( 0.000 0.007 0.003) 0.007 3.200 ( -0.000 -0.001 0.002) 0.002 3.200 ( -0.000 0.001 0.002) 0.002 3.463 ( -0.001 -0.001 -0.000) 0.001 3.463 ( -0.001 0.001 -0.001) 0.002 4.266 ( 0.000 -0.000 -0.000) 0.001 4.266 ( 0.000 0.000 -0.000) 0.001 4.411 ( -0.000 -0.000 0.000) 0.001 4.411 ( -0.000 0.000 0.000) 0.001 4.717 ( 0.000 -0.001 0.001) 0.001 4.717 ( 0.000 0.001 0.001) 0.001 5.648 ( -0.001 -0.003 0.002) 0.004 5.648 ( -0.001 0.003 0.002) 0.004 6.379 ( -0.000 -0.000 -0.000) 0.000 6.379 ( -0.000 0.000 -0.000) 0.000 6.871 ( 0.002 -0.001 -0.001) 0.002 6.871 ( 0.002 0.001 -0.001) 0.002 7.619 ( 0.004 -0.000 0.001) 0.004 7.619 ( 0.004 0.001 0.001) 0.004 7.710 ( -0.005 -0.001 0.001) 0.005 7.710 ( -0.005 0.001 0.001) 0.005 7.834 ( -0.000 -0.000 0.000) 0.001 7.834 ( -0.000 0.000 0.000) 0.001 9.176 ( -0.001 -0.001 0.004) 0.004 9.176 ( -0.001 0.001 0.004) 0.004 9.339 ( 0.001 -0.001 -0.003) 0.003 9.339 ( 0.001 0.001 -0.003) 0.003 9.639 ( -0.000 -0.000 -0.000) 0.000 9.639 ( -0.000 0.000 -0.000) 0.000 10.277 ( -0.001 -0.001 0.002) 0.002 10.277 ( -0.001 0.001 0.002) 0.002 10.680 ( 0.001 -0.001 0.001) 0.001 10.680 ( 0.000 0.001 0.001) 0.001 11.649 ( -0.003 -0.004 0.000) 0.005 11.649 ( -0.003 0.004 0.000) 0.005 11.717 ( 0.002 -0.003 0.000) 0.004 11.717 ( 0.002 0.003 0.000) 0.004 12.875 ( -0.000 -0.003 0.001) 0.003 12.875 ( -0.000 0.003 0.001) 0.003 13.529 ( -0.000 -0.007 0.003) 0.007 13.529 ( -0.000 0.007 0.003) 0.007 15.127 ( -0.001 -0.002 -0.001) 0.002 15.127 ( -0.001 0.002 -0.001) 0.002 15.921 ( -0.002 -0.006 0.008) 0.010 15.921 ( -0.002 0.006 0.008) 0.010 16.029 ( 0.001 -0.005 -0.003) 0.006 16.029 ( 0.001 0.005 -0.003) 0.006 16.580 ( -0.001 -0.002 0.002) 0.004 16.580 ( -0.001 0.002 0.002) 0.004 18.085 ( -0.000 -0.012 -0.006) 0.013 18.085 ( -0.000 0.012 -0.006) 0.013 18.958 ( -0.001 -0.005 0.010) 0.012 18.958 ( -0.001 0.005 0.010) 0.012 ======================= Grid point 349 (166/170) ======================= q-point: ( 0.09 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 0.296 -1.357 -4.255) 4.476 1.851 ( 0.296 1.358 -4.255) 4.476 2.215 ( -4.862 -9.550 -0.810) 10.747 2.215 ( -4.862 9.551 -0.810) 10.747 2.410 ( 3.663 -10.131 5.443) 12.070 2.410 ( 3.663 10.131 5.443) 12.070 2.841 ( -3.366 -6.564 4.973) 8.896 2.841 ( -3.366 6.564 4.973) 8.896 3.174 ( -0.262 -3.945 -3.967) 5.601 3.174 ( -0.262 3.945 -3.967) 5.601 3.464 ( -1.020 -8.163 0.312) 8.232 3.464 ( -1.020 8.163 0.312) 8.233 4.270 ( -1.005 -5.895 1.006) 6.064 4.270 ( -1.005 5.895 1.006) 6.064 4.356 ( -2.784 -3.333 -3.669) 5.685 4.356 ( -2.784 3.333 -3.669) 5.686 4.669 ( -2.787 -1.196 -3.906) 4.945 4.669 ( -2.787 1.196 -3.906) 4.945 5.632 ( -3.979 -1.264 2.975) 5.126 5.632 ( -3.979 1.264 2.975) 5.126 6.421 ( 3.493 -3.236 0.904) 4.846 6.421 ( 3.493 3.236 0.904) 4.846 6.822 ( -5.795 -4.952 2.158) 7.922 6.822 ( -5.795 4.952 2.158) 7.922 7.539 ( -4.145 -2.324 0.180) 4.755 7.539 ( -4.145 2.324 0.180) 4.755 7.768 ( -0.951 -3.350 -0.450) 3.511 7.768 ( -0.951 3.350 -0.450) 3.511 7.926 ( 13.343 -1.813 -1.532) 13.553 7.926 ( 13.343 1.813 -1.532) 13.553 9.071 ( -0.004 -2.230 -9.986) 10.232 9.071 ( -0.004 2.230 -9.986) 10.232 9.447 ( 1.789 -3.388 7.925) 8.802 9.447 ( 1.789 3.388 7.924) 8.802 9.692 ( 3.916 -2.889 2.717) 5.574 9.692 ( 3.916 2.889 2.717) 5.574 10.237 ( -0.911 -3.863 -2.939) 4.938 10.237 ( -0.911 3.863 -2.939) 4.939 10.718 ( 3.087 -1.831 0.846) 3.688 10.718 ( 3.087 1.832 0.846) 3.688 11.517 ( -9.407 -3.674 -1.061) 10.155 11.517 ( -9.407 3.674 -1.061) 10.155 11.812 ( 6.173 -7.504 -0.372) 9.723 11.812 ( 6.173 7.504 -0.372) 9.724 12.919 ( 3.506 -3.737 1.777) 5.424 12.919 ( 3.506 3.737 1.777) 5.424 13.475 ( -4.667 -1.638 -1.903) 5.299 13.475 ( -4.667 1.638 -1.903) 5.299 15.164 ( 4.308 -3.396 0.387) 5.499 15.164 ( 4.308 3.397 0.387) 5.499 15.965 ( 0.157 -0.605 6.244) 6.275 15.965 ( 0.157 0.605 6.243) 6.275 16.044 ( 5.825 -4.584 -5.270) 9.096 16.044 ( 5.825 4.585 -5.270) 9.096 16.642 ( 3.940 -1.451 5.183) 6.670 16.642 ( 3.940 1.451 5.183) 6.670 17.993 ( -4.703 -7.864 -8.812) 12.712 17.993 ( -4.703 7.864 -8.812) 12.712 18.942 ( -5.191 -11.690 4.346) 13.509 18.942 ( -5.191 11.690 4.346) 13.509 ======================= Grid point 351 (167/170) ======================= q-point: ( 0.18 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 2.358 -3.738 -0.998) 4.531 1.836 ( 2.358 3.739 -0.998) 4.532 2.120 ( -5.465 -8.806 -0.516) 10.377 2.120 ( -5.465 8.806 -0.516) 10.377 2.528 ( 1.101 -7.985 6.837) 10.570 2.528 ( 1.101 7.985 6.837) 10.570 2.830 ( -4.845 -7.458 4.589) 10.008 2.830 ( -4.845 7.458 4.589) 10.008 3.120 ( -1.280 -3.734 -2.619) 4.737 3.120 ( -1.280 3.734 -2.619) 4.737 3.420 ( -2.238 -8.694 -2.236) 9.252 3.420 ( -2.238 8.694 -2.236) 9.252 4.182 ( -5.008 -2.345 -5.397) 7.726 4.182 ( -5.008 2.345 -5.397) 7.727 4.329 ( -0.310 -8.805 1.566) 8.948 4.329 ( -0.310 8.805 1.567) 8.948 4.554 ( -3.396 -2.247 -6.678) 7.822 4.554 ( -3.396 2.248 -6.678) 7.822 5.585 ( -6.140 -1.999 3.957) 7.573 5.585 ( -6.140 1.999 3.957) 7.573 6.464 ( 0.234 -8.046 -0.432) 8.061 6.464 ( 0.234 8.046 -0.432) 8.061 6.790 ( -1.337 -4.310 4.430) 6.323 6.790 ( -1.337 4.310 4.430) 6.323 7.504 ( -1.135 -1.511 1.157) 2.216 7.504 ( -1.135 1.511 1.157) 2.216 7.719 ( -3.013 -4.355 -0.889) 5.370 7.719 ( -3.013 4.355 -0.890) 5.370 8.107 ( 10.733 -2.668 -5.346) 12.284 8.107 ( 10.734 2.668 -5.346) 12.285 9.032 ( 6.727 -4.438 -6.064) 10.086 9.032 ( 6.727 4.438 -6.064) 10.086 9.496 ( -2.666 -4.700 2.091) 5.794 9.496 ( -2.666 4.700 2.091) 5.794 9.813 ( 4.826 -3.066 5.793) 8.139 9.813 ( 4.826 3.066 5.793) 8.139 10.251 ( 5.150 -3.947 0.348) 6.497 10.251 ( 5.150 3.947 0.348) 6.497 10.774 ( 3.073 -2.575 -0.929) 4.115 10.774 ( 3.073 2.575 -0.929) 4.115 11.345 ( -9.807 -2.184 -0.815) 10.081 11.345 ( -9.807 2.184 -0.815) 10.081 11.890 ( 4.261 -7.368 -0.916) 8.560 11.890 ( 4.261 7.368 -0.916) 8.560 12.999 ( 3.311 -6.287 0.654) 7.136 12.999 ( 3.311 6.287 0.654) 7.136 13.361 ( -5.209 -4.593 -1.992) 7.225 13.361 ( -5.209 4.594 -1.992) 7.225 15.280 ( 7.217 -5.717 3.180) 9.741 15.280 ( 7.217 5.717 3.180) 9.741 15.992 ( -2.377 -7.699 1.819) 8.260 15.992 ( -2.377 7.699 1.819) 8.260 16.155 ( 12.032 -6.293 -1.934) 13.715 16.155 ( 12.032 6.293 -1.934) 13.715 16.819 ( 7.753 -5.495 8.161) 12.526 16.819 ( 7.753 5.495 8.161) 12.526 17.758 ( -7.973 -11.227 -12.849) 18.833 17.758 ( -7.973 11.227 -12.849) 18.833 18.869 ( -10.319 -18.794 5.013) 22.019 18.869 ( -10.319 18.794 5.013) 22.019 ======================= Grid point 353 (168/170) ======================= q-point: ( 0.27 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -2.915 -6.670 1.786) 7.495 1.876 ( -2.915 6.670 1.786) 7.495 2.057 ( -0.233 -8.097 3.964) 9.019 2.057 ( -0.233 8.097 3.964) 9.019 2.564 ( -2.911 -6.957 1.945) 7.789 2.564 ( -2.911 6.957 1.945) 7.789 2.790 ( -4.156 -8.252 2.238) 9.507 2.790 ( -4.156 8.252 2.238) 9.507 3.072 ( -2.072 -3.420 -0.966) 4.114 3.072 ( -2.072 3.420 -0.966) 4.114 3.397 ( 0.809 -3.560 2.102) 4.213 3.397 ( 0.809 3.561 2.102) 4.213 4.045 ( -2.171 -3.885 -7.631) 8.834 4.045 ( -2.171 3.886 -7.631) 8.834 4.315 ( -4.740 -8.867 1.818) 10.217 4.315 ( -4.740 8.867 1.818) 10.217 4.419 ( -2.157 -1.588 -8.658) 9.063 4.419 ( -2.157 1.588 -8.658) 9.063 5.523 ( -6.066 -2.470 3.320) 7.343 5.523 ( -6.066 2.470 3.320) 7.343 6.434 ( -2.431 -9.422 0.172) 9.732 6.434 ( -2.431 9.422 0.172) 9.732 6.853 ( 3.411 -3.004 1.544) 4.800 6.853 ( 3.411 3.004 1.544) 4.800 7.527 ( -0.135 -0.392 4.642) 4.661 7.527 ( -0.135 0.392 4.642) 4.661 7.661 ( -2.827 -5.149 -0.416) 5.889 7.661 ( -2.827 5.149 -0.416) 5.889 8.139 ( 3.801 -5.073 -9.564) 11.474 8.139 ( 3.801 5.074 -9.564) 11.475 9.099 ( 6.314 -3.091 -6.453) 9.542 9.099 ( 6.314 3.092 -6.452) 9.543 9.499 ( 2.361 -4.970 4.434) 7.066 9.499 ( 2.361 4.970 4.434) 7.066 9.972 ( 4.315 -2.943 8.315) 9.820 9.972 ( 4.315 2.943 8.315) 9.820 10.387 ( 8.139 -4.101 1.982) 9.327 10.387 ( 8.139 4.101 1.982) 9.327 10.779 ( 0.967 -2.597 -4.801) 5.543 10.779 ( 0.967 2.597 -4.801) 5.543 11.184 ( -9.068 -2.991 0.515) 9.562 11.184 ( -9.068 2.991 0.515) 9.562 11.940 ( 3.089 -6.679 -0.640) 7.387 11.940 ( 3.089 6.680 -0.640) 7.387 13.007 ( -1.242 -5.554 -2.335) 6.152 13.007 ( -1.242 5.554 -2.335) 6.152 13.299 ( -0.508 -8.052 -0.107) 8.069 13.299 ( -0.508 8.052 -0.107) 8.069 15.462 ( 7.343 -8.189 6.707) 12.883 15.462 ( 7.343 8.189 6.707) 12.883 15.962 ( -1.075 -8.054 -0.698) 8.155 15.962 ( -1.075 8.054 -0.698) 8.155 16.354 ( 12.797 -3.401 -1.135) 13.290 16.354 ( 12.797 3.401 -1.135) 13.290 17.051 ( 9.605 -10.413 4.925) 14.998 17.051 ( 9.605 10.413 4.925) 14.998 17.480 ( -8.386 -8.798 -9.382) 15.354 17.480 ( -8.386 8.798 -9.382) 15.354 18.707 ( -14.578 -22.157 2.966) 26.688 18.707 ( -14.578 22.157 2.966) 26.688 ======================= Grid point 355 (169/170) ======================= q-point: ( 0.36 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -11.636 -6.576 -0.486) 13.375 1.730 ( -11.636 6.576 -0.486) 13.375 2.228 ( 7.037 -3.383 9.214) 12.078 2.228 ( 7.037 3.383 9.214) 12.078 2.517 ( -1.242 -10.022 -1.002) 10.149 2.517 ( -1.242 10.023 -1.002) 10.149 2.741 ( -3.648 -7.681 0.893) 8.550 2.741 ( -3.648 7.681 0.893) 8.550 3.034 ( -0.894 -2.842 -2.174) 3.688 3.034 ( -0.894 2.842 -2.174) 3.688 3.491 ( 2.377 -1.096 9.143) 9.510 3.491 ( 2.377 1.096 9.143) 9.510 3.944 ( 0.779 -4.788 -8.346) 9.653 3.944 ( 0.779 4.789 -8.346) 9.653 4.184 ( -7.726 -9.868 -6.088) 13.933 4.184 ( -7.726 9.868 -6.088) 13.933 4.317 ( -2.096 -6.611 -2.991) 7.553 4.317 ( -2.096 6.611 -2.991) 7.553 5.466 ( -4.183 -2.360 1.950) 5.183 5.466 ( -4.183 2.360 1.950) 5.183 6.410 ( -1.341 -7.041 1.381) 7.299 6.410 ( -1.341 7.041 1.381) 7.299 6.914 ( 3.606 -2.398 -1.325) 4.528 6.914 ( 3.606 2.398 -1.325) 4.529 7.576 ( -0.223 -0.852 1.538) 1.773 7.576 ( -0.224 0.852 1.539) 1.773 7.637 ( -2.228 -3.669 6.059) 7.425 7.637 ( -2.228 3.669 6.058) 7.425 8.051 ( 0.412 -5.528 -10.868) 12.200 8.051 ( 0.412 5.528 -10.868) 12.200 9.080 ( 1.434 -1.447 -5.580) 5.940 9.080 ( 1.434 1.447 -5.580) 5.940 9.676 ( 8.693 -3.553 6.495) 11.418 9.676 ( 8.693 3.553 6.494) 11.418 10.131 ( 2.840 -2.937 9.236) 10.099 10.131 ( 2.840 2.937 9.236) 10.099 10.517 ( 4.664 -7.849 -1.351) 9.229 10.517 ( 4.664 7.849 -1.351) 9.229 10.709 ( 0.388 -4.451 -6.151) 7.602 10.709 ( 0.388 4.451 -6.151) 7.602 11.062 ( -7.075 -4.042 1.417) 8.270 11.062 ( -7.075 4.042 1.417) 8.270 11.983 ( 2.322 -5.111 0.133) 5.615 11.983 ( 2.322 5.111 0.133) 5.615 12.944 ( -2.123 -4.021 -2.380) 5.133 12.944 ( -2.123 4.021 -2.380) 5.133 13.312 ( 1.207 -7.349 0.085) 7.448 13.312 ( 1.207 7.349 0.085) 7.448 15.629 ( 2.404 -6.385 5.941) 9.046 15.629 ( 2.404 6.385 5.941) 9.047 15.988 ( 4.564 -5.207 2.775) 7.460 15.988 ( 4.564 5.208 2.775) 7.460 16.509 ( 7.723 -1.215 -4.366) 8.954 16.509 ( 7.722 1.215 -4.366) 8.954 17.079 ( -1.814 -10.808 -11.012) 15.536 17.079 ( -1.814 10.808 -11.012) 15.536 17.464 ( 7.618 -13.104 9.114) 17.687 17.464 ( 7.618 13.104 9.114) 17.687 18.458 ( -16.924 -23.049 -0.191) 28.595 18.458 ( -16.924 23.049 -0.191) 28.595 ======================= Grid point 357 (170/170) ======================= q-point: ( 0.45 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -5.635 -2.823 -0.417) 6.316 1.567 ( -5.635 2.823 -0.417) 6.316 2.351 ( -0.394 -1.722 2.277) 2.882 2.351 ( -0.394 1.722 2.277) 2.882 2.585 ( 7.026 -9.429 2.031) 11.933 2.585 ( 7.026 9.429 2.030) 11.933 2.698 ( -3.393 -7.535 1.837) 8.465 2.698 ( -3.393 7.535 1.836) 8.465 2.978 ( -1.544 -1.415 -3.221) 3.842 2.978 ( -1.544 1.415 -3.221) 3.842 3.665 ( 2.631 -6.247 13.562) 15.162 3.665 ( 2.631 6.247 13.562) 15.162 3.861 ( 1.855 -7.189 -13.527) 15.431 3.861 ( 1.855 7.189 -13.527) 15.430 3.986 ( -6.569 -3.460 -2.682) 7.894 3.986 ( -6.569 3.460 -2.682) 7.894 4.272 ( -1.009 -2.148 -0.526) 2.431 4.272 ( -1.009 2.148 -0.526) 2.431 5.433 ( -1.446 -1.022 0.591) 1.866 5.433 ( -1.446 1.022 0.591) 1.866 6.414 ( -0.229 -2.617 0.967) 2.799 6.414 ( -0.229 2.617 0.967) 2.799 6.943 ( 1.479 -1.121 -0.987) 2.102 6.943 ( 1.479 1.121 -0.987) 2.102 7.564 ( -0.394 -0.870 -0.607) 1.131 7.564 ( -0.394 0.870 -0.607) 1.131 7.698 ( -0.910 -0.651 6.095) 6.197 7.698 ( -0.910 0.651 6.095) 6.197 7.945 ( -0.016 -3.087 -6.699) 7.376 7.945 ( -0.016 3.087 -6.699) 7.376 9.054 ( 0.490 -0.617 -1.792) 1.957 9.054 ( 0.490 0.617 -1.792) 1.957 9.855 ( 4.684 -1.279 2.911) 5.661 9.855 ( 4.684 1.280 2.911) 5.661 10.277 ( 2.240 -3.272 9.880) 10.646 10.277 ( 2.240 3.272 9.880) 10.646 10.440 ( -3.171 -5.291 -9.608) 11.418 10.440 ( -3.171 5.291 -9.608) 11.418 10.735 ( 3.855 -1.435 -0.286) 4.123 10.735 ( 3.855 1.435 -0.286) 4.123 10.977 ( -3.977 -2.705 0.552) 4.841 10.977 ( -3.977 2.705 0.552) 4.841 12.014 ( 0.950 -1.993 0.270) 2.224 12.014 ( 0.950 1.994 0.270) 2.225 12.900 ( -0.736 -1.738 -0.909) 2.095 12.900 ( -0.736 1.738 -0.909) 2.095 13.328 ( 0.514 -2.974 -0.026) 3.018 13.328 ( 0.514 2.974 -0.026) 3.018 15.672 ( -0.540 -1.429 1.254) 1.977 15.672 ( -0.540 1.429 1.254) 1.977 16.168 ( 6.919 -6.086 8.124) 12.285 16.168 ( 6.919 6.086 8.124) 12.285 16.464 ( -2.518 -5.699 -9.104) 11.032 16.464 ( -2.518 5.699 -9.104) 11.032 16.972 ( -0.164 -3.505 -3.111) 4.690 16.972 ( -0.164 3.505 -3.111) 4.690 17.741 ( 11.885 -16.636 6.453) 21.440 17.741 ( 11.885 16.636 6.453) 21.439 18.165 ( -14.442 -19.015 -2.860) 24.048 18.165 ( -14.442 19.015 -2.860) 24.048 =================== 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 3/31680 10.0 308.080 306.241 231.706 0.000 -32.911 0.000 3/31680 20.0 53.438 61.183 44.135 0.000 -6.021 0.000 3/31680 30.0 24.911 28.938 21.089 0.000 -2.268 0.000 3/31680 40.0 15.326 17.851 13.232 0.000 -1.135 0.000 3/31680 50.0 10.711 12.532 9.422 0.000 -0.660 0.000 3/31680 60.0 8.079 9.501 7.220 0.000 -0.427 0.000 3/31680 70.0 6.418 7.581 5.809 0.000 -0.298 0.000 3/31680 80.0 5.295 6.277 4.840 0.000 -0.221 0.000 3/31680 90.0 4.495 5.343 4.142 0.000 -0.170 0.000 3/31680 100.0 3.903 4.648 3.618 0.000 -0.136 0.000 3/31680 110.0 3.450 4.114 3.214 0.000 -0.111 0.000 3/31680 120.0 3.094 3.693 2.893 0.000 -0.092 0.000 3/31680 130.0 2.807 3.353 2.634 0.000 -0.078 0.000 3/31680 140.0 2.572 3.074 2.420 0.000 -0.067 0.000 3/31680 150.0 2.376 2.841 2.240 0.000 -0.058 0.000 3/31680 160.0 2.210 2.644 2.088 0.000 -0.051 0.000 3/31680 170.0 2.068 2.474 1.956 0.000 -0.045 0.000 3/31680 180.0 1.945 2.327 1.842 0.000 -0.040 0.000 3/31680 190.0 1.836 2.198 1.742 0.000 -0.035 0.000 3/31680 200.0 1.741 2.084 1.653 0.000 -0.032 0.000 3/31680 210.0 1.655 1.983 1.573 0.000 -0.029 0.000 3/31680 220.0 1.579 1.892 1.502 0.000 -0.026 0.000 3/31680 230.0 1.509 1.809 1.437 0.000 -0.024 0.000 3/31680 240.0 1.446 1.734 1.378 0.000 -0.022 0.000 3/31680 250.0 1.389 1.666 1.324 0.000 -0.020 0.000 3/31680 260.0 1.336 1.603 1.274 0.000 -0.019 0.000 3/31680 270.0 1.287 1.544 1.229 0.000 -0.017 0.000 3/31680 280.0 1.242 1.491 1.186 0.000 -0.016 0.000 3/31680 290.0 1.200 1.441 1.147 0.000 -0.015 0.000 3/31680 300.0 1.161 1.394 1.110 0.000 -0.014 0.000 3/31680 310.0 1.125 1.351 1.075 0.000 -0.013 0.000 3/31680 320.0 1.091 1.310 1.043 0.000 -0.012 0.000 3/31680 330.0 1.059 1.272 1.013 0.000 -0.012 0.000 3/31680 340.0 1.028 1.236 0.984 0.000 -0.011 0.000 3/31680 350.0 1.000 1.202 0.957 0.000 -0.010 0.000 3/31680 360.0 0.973 1.169 0.932 0.000 -0.010 0.000 3/31680 370.0 0.948 1.139 0.908 0.000 -0.009 0.000 3/31680 380.0 0.923 1.110 0.885 0.000 -0.009 0.000 3/31680 390.0 0.900 1.083 0.863 0.000 -0.008 0.000 3/31680 400.0 0.879 1.057 0.842 0.000 -0.008 0.000 3/31680 410.0 0.858 1.032 0.823 0.000 -0.008 0.000 3/31680 420.0 0.838 1.008 0.804 0.000 -0.007 0.000 3/31680 430.0 0.819 0.986 0.786 0.000 -0.007 0.000 3/31680 440.0 0.801 0.964 0.769 0.000 -0.007 0.000 3/31680 450.0 0.784 0.943 0.752 0.000 -0.006 0.000 3/31680 460.0 0.767 0.923 0.736 0.000 -0.006 0.000 3/31680 470.0 0.751 0.904 0.721 0.000 -0.006 0.000 3/31680 480.0 0.736 0.886 0.707 0.000 -0.006 0.000 3/31680 490.0 0.722 0.869 0.693 0.000 -0.006 0.000 3/31680 500.0 0.708 0.852 0.679 0.000 -0.005 0.000 3/31680 510.0 0.694 0.836 0.667 0.000 -0.005 0.000 3/31680 520.0 0.681 0.820 0.654 0.000 -0.005 0.000 3/31680 530.0 0.669 0.805 0.642 0.000 -0.005 0.000 3/31680 540.0 0.656 0.791 0.631 0.000 -0.005 0.000 3/31680 550.0 0.645 0.777 0.620 0.000 -0.005 0.000 3/31680 560.0 0.634 0.763 0.609 0.000 -0.004 0.000 3/31680 570.0 0.623 0.750 0.598 0.000 -0.004 0.000 3/31680 580.0 0.612 0.737 0.588 0.000 -0.004 0.000 3/31680 590.0 0.602 0.725 0.579 0.000 -0.004 0.000 3/31680 600.0 0.592 0.714 0.569 0.000 -0.004 0.000 3/31680 610.0 0.583 0.702 0.560 0.000 -0.004 0.000 3/31680 620.0 0.574 0.691 0.551 0.000 -0.004 0.000 3/31680 630.0 0.565 0.680 0.543 0.000 -0.004 0.000 3/31680 640.0 0.556 0.670 0.535 0.000 -0.004 0.000 3/31680 650.0 0.548 0.660 0.527 0.000 -0.003 0.000 3/31680 660.0 0.539 0.650 0.519 0.000 -0.003 0.000 3/31680 670.0 0.532 0.641 0.511 0.000 -0.003 0.000 3/31680 680.0 0.524 0.631 0.504 0.000 -0.003 0.000 3/31680 690.0 0.516 0.622 0.497 0.000 -0.003 0.000 3/31680 700.0 0.509 0.614 0.490 0.000 -0.003 0.000 3/31680 710.0 0.502 0.605 0.483 0.000 -0.003 0.000 3/31680 720.0 0.495 0.597 0.476 0.000 -0.003 0.000 3/31680 730.0 0.489 0.589 0.470 0.000 -0.003 0.000 3/31680 740.0 0.482 0.581 0.464 0.000 -0.003 0.000 3/31680 750.0 0.476 0.574 0.458 0.000 -0.003 0.000 3/31680 760.0 0.470 0.566 0.452 0.000 -0.003 0.000 3/31680 770.0 0.464 0.559 0.446 0.000 -0.003 0.000 3/31680 780.0 0.458 0.552 0.440 0.000 -0.003 0.000 3/31680 790.0 0.452 0.545 0.435 0.000 -0.003 0.000 3/31680 800.0 0.446 0.538 0.430 0.000 -0.003 0.000 3/31680 810.0 0.441 0.532 0.424 0.000 -0.003 0.000 3/31680 820.0 0.436 0.525 0.419 0.000 -0.002 0.000 3/31680 830.0 0.431 0.519 0.414 0.000 -0.002 0.000 3/31680 840.0 0.426 0.513 0.410 0.000 -0.002 0.000 3/31680 850.0 0.421 0.507 0.405 0.000 -0.002 0.000 3/31680 860.0 0.416 0.501 0.400 0.000 -0.002 0.000 3/31680 870.0 0.411 0.496 0.396 0.000 -0.002 0.000 3/31680 880.0 0.406 0.490 0.391 0.000 -0.002 0.000 3/31680 890.0 0.402 0.485 0.387 0.000 -0.002 0.000 3/31680 900.0 0.397 0.479 0.383 0.000 -0.002 0.000 3/31680 910.0 0.393 0.474 0.378 0.000 -0.002 0.000 3/31680 920.0 0.389 0.469 0.374 0.000 -0.002 0.000 3/31680 930.0 0.385 0.464 0.370 0.000 -0.002 0.000 3/31680 940.0 0.381 0.459 0.367 0.000 -0.002 0.000 3/31680 950.0 0.377 0.454 0.363 0.000 -0.002 0.000 3/31680 960.0 0.373 0.450 0.359 0.000 -0.002 0.000 3/31680 970.0 0.369 0.445 0.355 0.000 -0.002 0.000 3/31680 980.0 0.365 0.441 0.352 0.000 -0.002 0.000 3/31680 990.0 0.362 0.436 0.348 0.000 -0.002 0.000 3/31680 1000.0 0.358 0.432 0.345 0.000 -0.002 0.000 3/31680 Thermal conductivity related properties were written into "kappa-m1186.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:54:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|