----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:46:18]------------------------- 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: [1 4 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.929006543297512 -1.943003865000000 0.000000000000000 b 5.929006543297512 1.943003865000000 0.000000000000000 c -4.364151045540612 0.000000000000000 6.555494343094248 Atomic positions (fractional): *1 Cl 0.43988770586577 0.43988770586577 0.16595744143310 35.453 2 Cl 0.56011229413423 0.56011229413423 0.83404255856690 35.453 *3 Pb 0.82358968010289 0.82358968010289 0.74734271067702 207.200 4 Pb 0.17641031989711 0.17641031989711 0.25265728932298 207.200 *5 O 0.19301674520308 0.19301674520308 0.56540008984051 15.999 6 O 0.80698325479692 0.80698325479692 0.43459991015949 15.999 *7 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.858013086595024 0.000000000000000 0.000000000000000 b 0.000000000000000 3.886007730000000 0.000000000000000 c -4.364151045540612 0.000000000000000 6.555494343094248 Atomic positions (fractional): *1 Cl 0.93988770586577 0.50000000000000 0.16595744143310 35.453 > 1 2 Cl 0.06011229413423 0.50000000000000 0.83404255856690 35.453 > 2 3 Cl 0.43988770586578 0.00000000000000 0.16595744143310 35.453 > 1 4 Cl 0.56011229413423 0.00000000000000 0.83404255856690 35.453 > 2 *5 Pb 0.32358968010289 0.50000000000000 0.74734271067702 207.200 > 3 6 Pb 0.67641031989711 0.50000000000000 0.25265728932298 207.200 > 4 7 Pb 0.82358968010289 0.00000000000000 0.74734271067702 207.200 > 3 8 Pb 0.17641031989711 0.00000000000000 0.25265728932298 207.200 > 4 *9 O 0.19301674520308 0.00000000000000 0.56540008984051 15.999 > 5 10 O 0.80698325479692 0.00000000000000 0.43459991015949 15.999 > 6 11 O 0.69301674520308 0.50000000000000 0.56540008984051 15.999 > 5 12 O 0.30698325479692 0.50000000000000 0.43459991015949 15.999 > 6 *13 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 > 7 14 Hg 0.50000000000000 0.50000000000000 0.50000000000000 200.590 > 7 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.858013086595024 0.000000000000000 0.000000000000000 b 0.000000000000000 15.544030920000001 0.000000000000000 c -8.728302091081224 0.000000000000000 13.110988686188495 Atomic positions (fractional): *1 Cl 0.93988770586577 0.12500000000000 0.08297872071655 35.453 > 1 2 Cl 0.93988770586577 0.37500000000000 0.08297872071655 35.453 > 1 3 Cl 0.93988770586577 0.62500000000000 0.08297872071655 35.453 > 1 4 Cl 0.93988770586577 0.87500000000000 0.08297872071655 35.453 > 1 5 Cl 0.93988770586577 0.12500000000000 0.58297872071655 35.453 > 1 6 Cl 0.93988770586577 0.37500000000000 0.58297872071655 35.453 > 1 7 Cl 0.93988770586577 0.62500000000000 0.58297872071655 35.453 > 1 8 Cl 0.93988770586577 0.87500000000000 0.58297872071655 35.453 > 1 9 Cl 0.06011229413423 0.12500000000000 0.41702127928345 35.453 > 2 10 Cl 0.06011229413423 0.37500000000000 0.41702127928345 35.453 > 2 11 Cl 0.06011229413423 0.62500000000000 0.41702127928345 35.453 > 2 12 Cl 0.06011229413423 0.87500000000000 0.41702127928345 35.453 > 2 13 Cl 0.06011229413423 0.12500000000000 0.91702127928345 35.453 > 2 14 Cl 0.06011229413423 0.37500000000000 0.91702127928345 35.453 > 2 15 Cl 0.06011229413423 0.62500000000000 0.91702127928345 35.453 > 2 16 Cl 0.06011229413423 0.87500000000000 0.91702127928345 35.453 > 2 17 Cl 0.43988770586578 0.00000000000000 0.08297872071655 35.453 > 1 18 Cl 0.43988770586578 0.25000000000000 0.08297872071655 35.453 > 1 19 Cl 0.43988770586578 0.50000000000000 0.08297872071655 35.453 > 1 20 Cl 0.43988770586578 0.75000000000000 0.08297872071655 35.453 > 1 21 Cl 0.43988770586578 0.00000000000000 0.58297872071655 35.453 > 1 22 Cl 0.43988770586578 0.25000000000000 0.58297872071655 35.453 > 1 23 Cl 0.43988770586578 0.50000000000000 0.58297872071655 35.453 > 1 24 Cl 0.43988770586578 0.75000000000000 0.58297872071655 35.453 > 1 25 Cl 0.56011229413423 0.00000000000000 0.41702127928345 35.453 > 2 26 Cl 0.56011229413423 0.25000000000000 0.41702127928345 35.453 > 2 27 Cl 0.56011229413423 0.50000000000000 0.41702127928345 35.453 > 2 28 Cl 0.56011229413423 0.75000000000000 0.41702127928345 35.453 > 2 29 Cl 0.56011229413423 0.00000000000000 0.91702127928345 35.453 > 2 30 Cl 0.56011229413423 0.25000000000000 0.91702127928345 35.453 > 2 31 Cl 0.56011229413423 0.50000000000000 0.91702127928345 35.453 > 2 32 Cl 0.56011229413423 0.75000000000000 0.91702127928345 35.453 > 2 *33 Pb 0.32358968010289 0.12500000000000 0.37367135533851 207.200 > 3 34 Pb 0.32358968010289 0.37500000000000 0.37367135533851 207.200 > 3 35 Pb 0.32358968010289 0.62500000000000 0.37367135533851 207.200 > 3 36 Pb 0.32358968010289 0.87500000000000 0.37367135533851 207.200 > 3 37 Pb 0.32358968010289 0.12500000000000 0.87367135533851 207.200 > 3 38 Pb 0.32358968010289 0.37500000000000 0.87367135533851 207.200 > 3 39 Pb 0.32358968010289 0.62500000000000 0.87367135533851 207.200 > 3 40 Pb 0.32358968010289 0.87500000000000 0.87367135533851 207.200 > 3 41 Pb 0.67641031989711 0.12500000000000 0.12632864466149 207.200 > 4 42 Pb 0.67641031989711 0.37500000000000 0.12632864466149 207.200 > 4 43 Pb 0.67641031989711 0.62500000000000 0.12632864466149 207.200 > 4 44 Pb 0.67641031989711 0.87500000000000 0.12632864466149 207.200 > 4 45 Pb 0.67641031989711 0.12500000000000 0.62632864466149 207.200 > 4 46 Pb 0.67641031989711 0.37500000000000 0.62632864466149 207.200 > 4 47 Pb 0.67641031989711 0.62500000000000 0.62632864466149 207.200 > 4 48 Pb 0.67641031989711 0.87500000000000 0.62632864466149 207.200 > 4 49 Pb 0.82358968010289 0.00000000000000 0.37367135533851 207.200 > 3 50 Pb 0.82358968010289 0.25000000000000 0.37367135533851 207.200 > 3 51 Pb 0.82358968010289 0.50000000000000 0.37367135533851 207.200 > 3 52 Pb 0.82358968010289 0.75000000000000 0.37367135533851 207.200 > 3 53 Pb 0.82358968010289 0.00000000000000 0.87367135533851 207.200 > 3 54 Pb 0.82358968010289 0.25000000000000 0.87367135533851 207.200 > 3 55 Pb 0.82358968010289 0.50000000000000 0.87367135533851 207.200 > 3 56 Pb 0.82358968010289 0.75000000000000 0.87367135533851 207.200 > 3 57 Pb 0.17641031989711 0.00000000000000 0.12632864466149 207.200 > 4 58 Pb 0.17641031989711 0.25000000000000 0.12632864466149 207.200 > 4 59 Pb 0.17641031989711 0.50000000000000 0.12632864466149 207.200 > 4 60 Pb 0.17641031989711 0.75000000000000 0.12632864466149 207.200 > 4 61 Pb 0.17641031989711 0.00000000000000 0.62632864466149 207.200 > 4 62 Pb 0.17641031989711 0.25000000000000 0.62632864466149 207.200 > 4 63 Pb 0.17641031989711 0.50000000000000 0.62632864466149 207.200 > 4 64 Pb 0.17641031989711 0.75000000000000 0.62632864466149 207.200 > 4 *65 O 0.19301674520308 0.00000000000000 0.28270004492025 15.999 > 5 66 O 0.19301674520308 0.25000000000000 0.28270004492025 15.999 > 5 67 O 0.19301674520308 0.50000000000000 0.28270004492025 15.999 > 5 68 O 0.19301674520308 0.75000000000000 0.28270004492025 15.999 > 5 69 O 0.19301674520308 0.00000000000000 0.78270004492025 15.999 > 5 70 O 0.19301674520308 0.25000000000000 0.78270004492025 15.999 > 5 71 O 0.19301674520308 0.50000000000000 0.78270004492025 15.999 > 5 72 O 0.19301674520308 0.75000000000000 0.78270004492025 15.999 > 5 73 O 0.80698325479692 0.00000000000000 0.21729995507975 15.999 > 6 74 O 0.80698325479692 0.25000000000000 0.21729995507975 15.999 > 6 75 O 0.80698325479692 0.50000000000000 0.21729995507975 15.999 > 6 76 O 0.80698325479692 0.75000000000000 0.21729995507975 15.999 > 6 77 O 0.80698325479692 0.00000000000000 0.71729995507975 15.999 > 6 78 O 0.80698325479692 0.25000000000000 0.71729995507975 15.999 > 6 79 O 0.80698325479692 0.50000000000000 0.71729995507975 15.999 > 6 80 O 0.80698325479692 0.75000000000000 0.71729995507975 15.999 > 6 81 O 0.69301674520308 0.12500000000000 0.28270004492025 15.999 > 5 82 O 0.69301674520308 0.37500000000000 0.28270004492025 15.999 > 5 83 O 0.69301674520308 0.62500000000000 0.28270004492025 15.999 > 5 84 O 0.69301674520308 0.87500000000000 0.28270004492025 15.999 > 5 85 O 0.69301674520308 0.12500000000000 0.78270004492025 15.999 > 5 86 O 0.69301674520308 0.37500000000000 0.78270004492025 15.999 > 5 87 O 0.69301674520308 0.62500000000000 0.78270004492025 15.999 > 5 88 O 0.69301674520308 0.87500000000000 0.78270004492025 15.999 > 5 89 O 0.30698325479692 0.12500000000000 0.21729995507975 15.999 > 6 90 O 0.30698325479692 0.37500000000000 0.21729995507975 15.999 > 6 91 O 0.30698325479692 0.62500000000000 0.21729995507975 15.999 > 6 92 O 0.30698325479692 0.87500000000000 0.21729995507975 15.999 > 6 93 O 0.30698325479692 0.12500000000000 0.71729995507975 15.999 > 6 94 O 0.30698325479692 0.37500000000000 0.71729995507975 15.999 > 6 95 O 0.30698325479692 0.62500000000000 0.71729995507975 15.999 > 6 96 O 0.30698325479692 0.87500000000000 0.71729995507975 15.999 > 6 *97 Hg 0.00000000000000 0.00000000000000 0.25000000000000 200.590 > 7 98 Hg 0.00000000000000 0.25000000000000 0.25000000000000 200.590 > 7 99 Hg 0.00000000000000 0.50000000000000 0.25000000000000 200.590 > 7 100 Hg 0.00000000000000 0.75000000000000 0.25000000000000 200.590 > 7 101 Hg 0.00000000000000 0.00000000000000 0.75000000000000 200.590 > 7 102 Hg 0.00000000000000 0.25000000000000 0.75000000000000 200.590 > 7 103 Hg 0.00000000000000 0.50000000000000 0.75000000000000 200.590 > 7 104 Hg 0.00000000000000 0.75000000000000 0.75000000000000 200.590 > 7 105 Hg 0.50000000000000 0.12500000000000 0.25000000000000 200.590 > 7 106 Hg 0.50000000000000 0.37500000000000 0.25000000000000 200.590 > 7 107 Hg 0.50000000000000 0.62500000000000 0.25000000000000 200.590 > 7 108 Hg 0.50000000000000 0.87500000000000 0.25000000000000 200.590 > 7 109 Hg 0.50000000000000 0.12500000000000 0.75000000000000 200.590 > 7 110 Hg 0.50000000000000 0.37500000000000 0.75000000000000 200.590 > 7 111 Hg 0.50000000000000 0.62500000000000 0.75000000000000 200.590 > 7 112 Hg 0.50000000000000 0.87500000000000 0.75000000000000 200.590 > 7 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4646881 0.0000000 -0.0501874 0.0000000 5.6467691 0.0000000 -0.0501868 0.0000000 5.2626978 -------------------------- Born effective charges -------------------------- 1 Cl -1.8860087 0.0000000 0.1875898 0.0000000 -1.9530210 0.0000000 0.1106742 0.0000000 -1.8009927 2 Cl -1.8860087 0.0000000 0.1875898 0.0000000 -1.9530210 0.0000000 0.1106742 0.0000000 -1.8009927 3 Pb 2.5955843 0.0000000 0.0167929 0.0000000 3.7375152 0.0000000 -0.0910835 0.0000000 3.2405406 4 Pb 2.5955843 0.0000000 0.0167929 0.0000000 3.7375152 0.0000000 -0.0910835 0.0000000 3.2405406 5 O -2.3398083 0.0000000 -0.1397980 0.0000000 -2.5144330 0.0000000 -0.0208844 0.0000000 -2.3035804 6 O -2.3398083 0.0000000 -0.1397980 0.0000000 -2.5144330 0.0000000 -0.0208844 0.0000000 -2.3035804 7 Hg 3.2604654 0.0000000 -0.1291692 0.0000000 1.4598777 0.0000000 0.0025874 0.0000000 1.7280650 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 4206/4206 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1018 Number of blocks in projector: 1018 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: 250 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 144 Use standard eigh solver. Tree of FC basis block matrices: - (1018, 999), data: False |-- (144, 144), data: True |-- (144, 144), data: True |-- (160, 156), data: True |-- (160, 156), data: True |-- (160, 156), data: True |-- (250, 243), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 1.097 Solver_block: 200 / 240 - Time: 1.085 Solver_block: 240 / 240 - Time: 0.492 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.691 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 4206/4206 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1018 Number of blocks in projector: 1018 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: 250 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 144 Use standard eigh solver. Tree of FC basis block matrices: - (1018, 999), data: False |-- (144, 144), data: True |-- (144, 144), data: True |-- (160, 156), data: True |-- (160, 156), data: True |-- (160, 156), data: True |-- (250, 243), 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 10:46:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:46:32]------------------------- 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): [1 4 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.929006543297512 -1.943003865000000 0.000000000000000 b 5.929006543297512 1.943003865000000 0.000000000000000 c -4.364151045540612 0.000000000000000 6.555494343094248 Atomic positions (fractional): 1 Cl 0.43988770586577 0.43988770586577 0.16595744143310 35.453 2 Cl 0.56011229413423 0.56011229413423 0.83404255856690 35.453 3 Pb 0.82358968010289 0.82358968010289 0.74734271067702 207.200 4 Pb 0.17641031989711 0.17641031989711 0.25265728932298 207.200 5 O 0.19301674520308 0.19301674520308 0.56540008984051 15.999 6 O 0.80698325479692 0.80698325479692 0.43459991015949 15.999 7 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.858013086595024 0.000000000000000 0.000000000000000 b 0.000000000000000 15.544030920000001 0.000000000000000 c -8.728302091081224 0.000000000000000 13.110988686188495 Atomic positions (fractional): 1 Cl 0.93988770586577 0.12500000000000 0.08297872071655 35.453 > 1 2 Cl 0.93988770586577 0.37500000000000 0.08297872071655 35.453 > 1 3 Cl 0.93988770586577 0.62500000000000 0.08297872071655 35.453 > 1 4 Cl 0.93988770586577 0.87500000000000 0.08297872071655 35.453 > 1 5 Cl 0.93988770586577 0.12500000000000 0.58297872071655 35.453 > 1 6 Cl 0.93988770586577 0.37500000000000 0.58297872071655 35.453 > 1 7 Cl 0.93988770586577 0.62500000000000 0.58297872071655 35.453 > 1 8 Cl 0.93988770586577 0.87500000000000 0.58297872071655 35.453 > 1 9 Cl 0.06011229413423 0.12500000000000 0.41702127928345 35.453 > 9 10 Cl 0.06011229413423 0.37500000000000 0.41702127928345 35.453 > 9 11 Cl 0.06011229413423 0.62500000000000 0.41702127928345 35.453 > 9 12 Cl 0.06011229413423 0.87500000000000 0.41702127928345 35.453 > 9 13 Cl 0.06011229413423 0.12500000000000 0.91702127928345 35.453 > 9 14 Cl 0.06011229413423 0.37500000000000 0.91702127928345 35.453 > 9 15 Cl 0.06011229413423 0.62500000000000 0.91702127928345 35.453 > 9 16 Cl 0.06011229413423 0.87500000000000 0.91702127928345 35.453 > 9 17 Cl 0.43988770586578 0.00000000000000 0.08297872071655 35.453 > 1 18 Cl 0.43988770586578 0.25000000000000 0.08297872071655 35.453 > 1 19 Cl 0.43988770586578 0.50000000000000 0.08297872071655 35.453 > 1 20 Cl 0.43988770586578 0.75000000000000 0.08297872071655 35.453 > 1 21 Cl 0.43988770586578 0.00000000000000 0.58297872071655 35.453 > 1 22 Cl 0.43988770586578 0.25000000000000 0.58297872071655 35.453 > 1 23 Cl 0.43988770586578 0.50000000000000 0.58297872071655 35.453 > 1 24 Cl 0.43988770586578 0.75000000000000 0.58297872071655 35.453 > 1 25 Cl 0.56011229413423 0.00000000000000 0.41702127928345 35.453 > 9 26 Cl 0.56011229413423 0.25000000000000 0.41702127928345 35.453 > 9 27 Cl 0.56011229413423 0.50000000000000 0.41702127928345 35.453 > 9 28 Cl 0.56011229413423 0.75000000000000 0.41702127928345 35.453 > 9 29 Cl 0.56011229413423 0.00000000000000 0.91702127928345 35.453 > 9 30 Cl 0.56011229413423 0.25000000000000 0.91702127928345 35.453 > 9 31 Cl 0.56011229413423 0.50000000000000 0.91702127928345 35.453 > 9 32 Cl 0.56011229413423 0.75000000000000 0.91702127928345 35.453 > 9 33 Pb 0.32358968010289 0.12500000000000 0.37367135533851 207.200 > 33 34 Pb 0.32358968010289 0.37500000000000 0.37367135533851 207.200 > 33 35 Pb 0.32358968010289 0.62500000000000 0.37367135533851 207.200 > 33 36 Pb 0.32358968010289 0.87500000000000 0.37367135533851 207.200 > 33 37 Pb 0.32358968010289 0.12500000000000 0.87367135533851 207.200 > 33 38 Pb 0.32358968010289 0.37500000000000 0.87367135533851 207.200 > 33 39 Pb 0.32358968010289 0.62500000000000 0.87367135533851 207.200 > 33 40 Pb 0.32358968010289 0.87500000000000 0.87367135533851 207.200 > 33 41 Pb 0.67641031989711 0.12500000000000 0.12632864466149 207.200 > 41 42 Pb 0.67641031989711 0.37500000000000 0.12632864466149 207.200 > 41 43 Pb 0.67641031989711 0.62500000000000 0.12632864466149 207.200 > 41 44 Pb 0.67641031989711 0.87500000000000 0.12632864466149 207.200 > 41 45 Pb 0.67641031989711 0.12500000000000 0.62632864466149 207.200 > 41 46 Pb 0.67641031989711 0.37500000000000 0.62632864466149 207.200 > 41 47 Pb 0.67641031989711 0.62500000000000 0.62632864466149 207.200 > 41 48 Pb 0.67641031989711 0.87500000000000 0.62632864466149 207.200 > 41 49 Pb 0.82358968010289 0.00000000000000 0.37367135533851 207.200 > 33 50 Pb 0.82358968010289 0.25000000000000 0.37367135533851 207.200 > 33 51 Pb 0.82358968010289 0.50000000000000 0.37367135533851 207.200 > 33 52 Pb 0.82358968010289 0.75000000000000 0.37367135533851 207.200 > 33 53 Pb 0.82358968010289 0.00000000000000 0.87367135533851 207.200 > 33 54 Pb 0.82358968010289 0.25000000000000 0.87367135533851 207.200 > 33 55 Pb 0.82358968010289 0.50000000000000 0.87367135533851 207.200 > 33 56 Pb 0.82358968010289 0.75000000000000 0.87367135533851 207.200 > 33 57 Pb 0.17641031989711 0.00000000000000 0.12632864466149 207.200 > 41 58 Pb 0.17641031989711 0.25000000000000 0.12632864466149 207.200 > 41 59 Pb 0.17641031989711 0.50000000000000 0.12632864466149 207.200 > 41 60 Pb 0.17641031989711 0.75000000000000 0.12632864466149 207.200 > 41 61 Pb 0.17641031989711 0.00000000000000 0.62632864466149 207.200 > 41 62 Pb 0.17641031989711 0.25000000000000 0.62632864466149 207.200 > 41 63 Pb 0.17641031989711 0.50000000000000 0.62632864466149 207.200 > 41 64 Pb 0.17641031989711 0.75000000000000 0.62632864466149 207.200 > 41 65 O 0.19301674520308 0.00000000000000 0.28270004492025 15.999 > 65 66 O 0.19301674520308 0.25000000000000 0.28270004492025 15.999 > 65 67 O 0.19301674520308 0.50000000000000 0.28270004492025 15.999 > 65 68 O 0.19301674520308 0.75000000000000 0.28270004492025 15.999 > 65 69 O 0.19301674520308 0.00000000000000 0.78270004492025 15.999 > 65 70 O 0.19301674520308 0.25000000000000 0.78270004492025 15.999 > 65 71 O 0.19301674520308 0.50000000000000 0.78270004492025 15.999 > 65 72 O 0.19301674520308 0.75000000000000 0.78270004492025 15.999 > 65 73 O 0.80698325479692 0.00000000000000 0.21729995507975 15.999 > 73 74 O 0.80698325479692 0.25000000000000 0.21729995507975 15.999 > 73 75 O 0.80698325479692 0.50000000000000 0.21729995507975 15.999 > 73 76 O 0.80698325479692 0.75000000000000 0.21729995507975 15.999 > 73 77 O 0.80698325479692 0.00000000000000 0.71729995507975 15.999 > 73 78 O 0.80698325479692 0.25000000000000 0.71729995507975 15.999 > 73 79 O 0.80698325479692 0.50000000000000 0.71729995507975 15.999 > 73 80 O 0.80698325479692 0.75000000000000 0.71729995507975 15.999 > 73 81 O 0.69301674520308 0.12500000000000 0.28270004492025 15.999 > 65 82 O 0.69301674520308 0.37500000000000 0.28270004492025 15.999 > 65 83 O 0.69301674520308 0.62500000000000 0.28270004492025 15.999 > 65 84 O 0.69301674520308 0.87500000000000 0.28270004492025 15.999 > 65 85 O 0.69301674520308 0.12500000000000 0.78270004492025 15.999 > 65 86 O 0.69301674520308 0.37500000000000 0.78270004492025 15.999 > 65 87 O 0.69301674520308 0.62500000000000 0.78270004492025 15.999 > 65 88 O 0.69301674520308 0.87500000000000 0.78270004492025 15.999 > 65 89 O 0.30698325479692 0.12500000000000 0.21729995507975 15.999 > 73 90 O 0.30698325479692 0.37500000000000 0.21729995507975 15.999 > 73 91 O 0.30698325479692 0.62500000000000 0.21729995507975 15.999 > 73 92 O 0.30698325479692 0.87500000000000 0.21729995507975 15.999 > 73 93 O 0.30698325479692 0.12500000000000 0.71729995507975 15.999 > 73 94 O 0.30698325479692 0.37500000000000 0.71729995507975 15.999 > 73 95 O 0.30698325479692 0.62500000000000 0.71729995507975 15.999 > 73 96 O 0.30698325479692 0.87500000000000 0.71729995507975 15.999 > 73 97 Hg 0.00000000000000 0.00000000000000 0.25000000000000 200.590 > 97 98 Hg 0.00000000000000 0.25000000000000 0.25000000000000 200.590 > 97 99 Hg 0.00000000000000 0.50000000000000 0.25000000000000 200.590 > 97 100 Hg 0.00000000000000 0.75000000000000 0.25000000000000 200.590 > 97 101 Hg 0.00000000000000 0.00000000000000 0.75000000000000 200.590 > 97 102 Hg 0.00000000000000 0.25000000000000 0.75000000000000 200.590 > 97 103 Hg 0.00000000000000 0.50000000000000 0.75000000000000 200.590 > 97 104 Hg 0.00000000000000 0.75000000000000 0.75000000000000 200.590 > 97 105 Hg 0.50000000000000 0.12500000000000 0.25000000000000 200.590 > 97 106 Hg 0.50000000000000 0.37500000000000 0.25000000000000 200.590 > 97 107 Hg 0.50000000000000 0.62500000000000 0.25000000000000 200.590 > 97 108 Hg 0.50000000000000 0.87500000000000 0.25000000000000 200.590 > 97 109 Hg 0.50000000000000 0.12500000000000 0.75000000000000 200.590 > 97 110 Hg 0.50000000000000 0.37500000000000 0.75000000000000 200.590 > 97 111 Hg 0.50000000000000 0.62500000000000 0.75000000000000 200.590 > 97 112 Hg 0.50000000000000 0.87500000000000 0.75000000000000 200.590 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4646881 0.0000000 -0.0501874 0.0000000 5.6467691 0.0000000 -0.0501868 0.0000000 5.2626978 -------------------------- Born effective charges -------------------------- 1 Cl -1.8860087 0.0000000 0.1875898 0.0000000 -1.9530210 0.0000000 0.1106742 0.0000000 -1.8009927 2 Cl -1.8860087 0.0000000 0.1875898 0.0000000 -1.9530210 0.0000000 0.1106742 0.0000000 -1.8009927 3 Pb 2.5955843 0.0000000 0.0167929 0.0000000 3.7375152 0.0000000 -0.0910835 0.0000000 3.2405406 4 Pb 2.5955843 0.0000000 0.0167929 0.0000000 3.7375152 0.0000000 -0.0910835 0.0000000 3.2405406 5 O -2.3398083 0.0000000 -0.1397980 0.0000000 -2.5144330 0.0000000 -0.0208844 0.0000000 -2.3035804 6 O -2.3398083 0.0000000 -0.1397980 0.0000000 -2.5144330 0.0000000 -0.0208844 0.0000000 -2.3035804 7 Hg 3.2604654 0.0000000 -0.1291692 0.0000000 1.4598777 0.0000000 0.0025874 0.0000000 1.7280650 ---------------------------------------------------------------------------- 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] [-0.0055 0.0000 0.0083] [ 0.0055 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Computing fc3[ 65, 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zx) -0.00000001 (zx) 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 10:46:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:46:44]------------------------- 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): [1 4 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.929006543297512 -1.943003865000000 0.000000000000000 b 5.929006543297512 1.943003865000000 0.000000000000000 c -4.364151045540612 0.000000000000000 6.555494343094248 Atomic positions (fractional): 1 Cl 0.43988770586577 0.43988770586577 0.16595744143310 35.453 2 Cl 0.56011229413423 0.56011229413423 0.83404255856690 35.453 3 Pb 0.82358968010289 0.82358968010289 0.74734271067702 207.200 4 Pb 0.17641031989711 0.17641031989711 0.25265728932298 207.200 5 O 0.19301674520308 0.19301674520308 0.56540008984051 15.999 6 O 0.80698325479692 0.80698325479692 0.43459991015949 15.999 7 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.858013086595024 0.000000000000000 0.000000000000000 b 0.000000000000000 15.544030920000001 0.000000000000000 c -8.728302091081224 0.000000000000000 13.110988686188495 Atomic positions (fractional): 1 Cl 0.93988770586577 0.12500000000000 0.08297872071655 35.453 > 1 2 Cl 0.93988770586577 0.37500000000000 0.08297872071655 35.453 > 1 3 Cl 0.93988770586577 0.62500000000000 0.08297872071655 35.453 > 1 4 Cl 0.93988770586577 0.87500000000000 0.08297872071655 35.453 > 1 5 Cl 0.93988770586577 0.12500000000000 0.58297872071655 35.453 > 1 6 Cl 0.93988770586577 0.37500000000000 0.58297872071655 35.453 > 1 7 Cl 0.93988770586577 0.62500000000000 0.58297872071655 35.453 > 1 8 Cl 0.93988770586577 0.87500000000000 0.58297872071655 35.453 > 1 9 Cl 0.06011229413423 0.12500000000000 0.41702127928345 35.453 > 9 10 Cl 0.06011229413423 0.37500000000000 0.41702127928345 35.453 > 9 11 Cl 0.06011229413423 0.62500000000000 0.41702127928345 35.453 > 9 12 Cl 0.06011229413423 0.87500000000000 0.41702127928345 35.453 > 9 13 Cl 0.06011229413423 0.12500000000000 0.91702127928345 35.453 > 9 14 Cl 0.06011229413423 0.37500000000000 0.91702127928345 35.453 > 9 15 Cl 0.06011229413423 0.62500000000000 0.91702127928345 35.453 > 9 16 Cl 0.06011229413423 0.87500000000000 0.91702127928345 35.453 > 9 17 Cl 0.43988770586578 0.00000000000000 0.08297872071655 35.453 > 1 18 Cl 0.43988770586578 0.25000000000000 0.08297872071655 35.453 > 1 19 Cl 0.43988770586578 0.50000000000000 0.08297872071655 35.453 > 1 20 Cl 0.43988770586578 0.75000000000000 0.08297872071655 35.453 > 1 21 Cl 0.43988770586578 0.00000000000000 0.58297872071655 35.453 > 1 22 Cl 0.43988770586578 0.25000000000000 0.58297872071655 35.453 > 1 23 Cl 0.43988770586578 0.50000000000000 0.58297872071655 35.453 > 1 24 Cl 0.43988770586578 0.75000000000000 0.58297872071655 35.453 > 1 25 Cl 0.56011229413423 0.00000000000000 0.41702127928345 35.453 > 9 26 Cl 0.56011229413423 0.25000000000000 0.41702127928345 35.453 > 9 27 Cl 0.56011229413423 0.50000000000000 0.41702127928345 35.453 > 9 28 Cl 0.56011229413423 0.75000000000000 0.41702127928345 35.453 > 9 29 Cl 0.56011229413423 0.00000000000000 0.91702127928345 35.453 > 9 30 Cl 0.56011229413423 0.25000000000000 0.91702127928345 35.453 > 9 31 Cl 0.56011229413423 0.50000000000000 0.91702127928345 35.453 > 9 32 Cl 0.56011229413423 0.75000000000000 0.91702127928345 35.453 > 9 33 Pb 0.32358968010289 0.12500000000000 0.37367135533851 207.200 > 33 34 Pb 0.32358968010289 0.37500000000000 0.37367135533851 207.200 > 33 35 Pb 0.32358968010289 0.62500000000000 0.37367135533851 207.200 > 33 36 Pb 0.32358968010289 0.87500000000000 0.37367135533851 207.200 > 33 37 Pb 0.32358968010289 0.12500000000000 0.87367135533851 207.200 > 33 38 Pb 0.32358968010289 0.37500000000000 0.87367135533851 207.200 > 33 39 Pb 0.32358968010289 0.62500000000000 0.87367135533851 207.200 > 33 40 Pb 0.32358968010289 0.87500000000000 0.87367135533851 207.200 > 33 41 Pb 0.67641031989711 0.12500000000000 0.12632864466149 207.200 > 41 42 Pb 0.67641031989711 0.37500000000000 0.12632864466149 207.200 > 41 43 Pb 0.67641031989711 0.62500000000000 0.12632864466149 207.200 > 41 44 Pb 0.67641031989711 0.87500000000000 0.12632864466149 207.200 > 41 45 Pb 0.67641031989711 0.12500000000000 0.62632864466149 207.200 > 41 46 Pb 0.67641031989711 0.37500000000000 0.62632864466149 207.200 > 41 47 Pb 0.67641031989711 0.62500000000000 0.62632864466149 207.200 > 41 48 Pb 0.67641031989711 0.87500000000000 0.62632864466149 207.200 > 41 49 Pb 0.82358968010289 0.00000000000000 0.37367135533851 207.200 > 33 50 Pb 0.82358968010289 0.25000000000000 0.37367135533851 207.200 > 33 51 Pb 0.82358968010289 0.50000000000000 0.37367135533851 207.200 > 33 52 Pb 0.82358968010289 0.75000000000000 0.37367135533851 207.200 > 33 53 Pb 0.82358968010289 0.00000000000000 0.87367135533851 207.200 > 33 54 Pb 0.82358968010289 0.25000000000000 0.87367135533851 207.200 > 33 55 Pb 0.82358968010289 0.50000000000000 0.87367135533851 207.200 > 33 56 Pb 0.82358968010289 0.75000000000000 0.87367135533851 207.200 > 33 57 Pb 0.17641031989711 0.00000000000000 0.12632864466149 207.200 > 41 58 Pb 0.17641031989711 0.25000000000000 0.12632864466149 207.200 > 41 59 Pb 0.17641031989711 0.50000000000000 0.12632864466149 207.200 > 41 60 Pb 0.17641031989711 0.75000000000000 0.12632864466149 207.200 > 41 61 Pb 0.17641031989711 0.00000000000000 0.62632864466149 207.200 > 41 62 Pb 0.17641031989711 0.25000000000000 0.62632864466149 207.200 > 41 63 Pb 0.17641031989711 0.50000000000000 0.62632864466149 207.200 > 41 64 Pb 0.17641031989711 0.75000000000000 0.62632864466149 207.200 > 41 65 O 0.19301674520308 0.00000000000000 0.28270004492025 15.999 > 65 66 O 0.19301674520308 0.25000000000000 0.28270004492025 15.999 > 65 67 O 0.19301674520308 0.50000000000000 0.28270004492025 15.999 > 65 68 O 0.19301674520308 0.75000000000000 0.28270004492025 15.999 > 65 69 O 0.19301674520308 0.00000000000000 0.78270004492025 15.999 > 65 70 O 0.19301674520308 0.25000000000000 0.78270004492025 15.999 > 65 71 O 0.19301674520308 0.50000000000000 0.78270004492025 15.999 > 65 72 O 0.19301674520308 0.75000000000000 0.78270004492025 15.999 > 65 73 O 0.80698325479692 0.00000000000000 0.21729995507975 15.999 > 73 74 O 0.80698325479692 0.25000000000000 0.21729995507975 15.999 > 73 75 O 0.80698325479692 0.50000000000000 0.21729995507975 15.999 > 73 76 O 0.80698325479692 0.75000000000000 0.21729995507975 15.999 > 73 77 O 0.80698325479692 0.00000000000000 0.71729995507975 15.999 > 73 78 O 0.80698325479692 0.25000000000000 0.71729995507975 15.999 > 73 79 O 0.80698325479692 0.50000000000000 0.71729995507975 15.999 > 73 80 O 0.80698325479692 0.75000000000000 0.71729995507975 15.999 > 73 81 O 0.69301674520308 0.12500000000000 0.28270004492025 15.999 > 65 82 O 0.69301674520308 0.37500000000000 0.28270004492025 15.999 > 65 83 O 0.69301674520308 0.62500000000000 0.28270004492025 15.999 > 65 84 O 0.69301674520308 0.87500000000000 0.28270004492025 15.999 > 65 85 O 0.69301674520308 0.12500000000000 0.78270004492025 15.999 > 65 86 O 0.69301674520308 0.37500000000000 0.78270004492025 15.999 > 65 87 O 0.69301674520308 0.62500000000000 0.78270004492025 15.999 > 65 88 O 0.69301674520308 0.87500000000000 0.78270004492025 15.999 > 65 89 O 0.30698325479692 0.12500000000000 0.21729995507975 15.999 > 73 90 O 0.30698325479692 0.37500000000000 0.21729995507975 15.999 > 73 91 O 0.30698325479692 0.62500000000000 0.21729995507975 15.999 > 73 92 O 0.30698325479692 0.87500000000000 0.21729995507975 15.999 > 73 93 O 0.30698325479692 0.12500000000000 0.71729995507975 15.999 > 73 94 O 0.30698325479692 0.37500000000000 0.71729995507975 15.999 > 73 95 O 0.30698325479692 0.62500000000000 0.71729995507975 15.999 > 73 96 O 0.30698325479692 0.87500000000000 0.71729995507975 15.999 > 73 97 Hg 0.00000000000000 0.00000000000000 0.25000000000000 200.590 > 97 98 Hg 0.00000000000000 0.25000000000000 0.25000000000000 200.590 > 97 99 Hg 0.00000000000000 0.50000000000000 0.25000000000000 200.590 > 97 100 Hg 0.00000000000000 0.75000000000000 0.25000000000000 200.590 > 97 101 Hg 0.00000000000000 0.00000000000000 0.75000000000000 200.590 > 97 102 Hg 0.00000000000000 0.25000000000000 0.75000000000000 200.590 > 97 103 Hg 0.00000000000000 0.50000000000000 0.75000000000000 200.590 > 97 104 Hg 0.00000000000000 0.75000000000000 0.75000000000000 200.590 > 97 105 Hg 0.50000000000000 0.12500000000000 0.25000000000000 200.590 > 97 106 Hg 0.50000000000000 0.37500000000000 0.25000000000000 200.590 > 97 107 Hg 0.50000000000000 0.62500000000000 0.25000000000000 200.590 > 97 108 Hg 0.50000000000000 0.87500000000000 0.25000000000000 200.590 > 97 109 Hg 0.50000000000000 0.12500000000000 0.75000000000000 200.590 > 97 110 Hg 0.50000000000000 0.37500000000000 0.75000000000000 200.590 > 97 111 Hg 0.50000000000000 0.62500000000000 0.75000000000000 200.590 > 97 112 Hg 0.50000000000000 0.87500000000000 0.75000000000000 200.590 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.4646881 0.0000000 -0.0501874 0.0000000 5.6467691 0.0000000 -0.0501868 0.0000000 5.2626978 -------------------------- Born effective charges -------------------------- 1 Cl -1.8860087 0.0000000 0.1875898 0.0000000 -1.9530210 0.0000000 0.1106742 0.0000000 -1.8009927 2 Cl -1.8860087 0.0000000 0.1875898 0.0000000 -1.9530210 0.0000000 0.1106742 0.0000000 -1.8009927 3 Pb 2.5955843 0.0000000 0.0167929 0.0000000 3.7375152 0.0000000 -0.0910835 0.0000000 3.2405406 4 Pb 2.5955843 0.0000000 0.0167929 0.0000000 3.7375152 0.0000000 -0.0910835 0.0000000 3.2405406 5 O -2.3398083 0.0000000 -0.1397980 0.0000000 -2.5144330 0.0000000 -0.0208844 0.0000000 -2.3035804 6 O -2.3398083 0.0000000 -0.1397980 0.0000000 -2.5144330 0.0000000 -0.0208844 0.0000000 -2.3035804 7 Hg 3.2604654 0.0000000 -0.1291692 0.0000000 1.4598777 0.0000000 0.0025874 0.0000000 1.7280650 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) 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 ... [ 14 14 8 ] 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: 0.78, Number of G-points: 295, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/429) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.577 ( 0.000 0.000 0.000) 0.000 1.588 ( 0.000 0.000 0.000) 0.000 1.628 ( 0.000 0.000 0.000) 0.000 1.718 ( 0.000 0.000 0.000) 0.000 2.356 ( 0.000 0.000 0.000) 0.000 2.620 ( 0.000 0.000 0.000) 0.000 2.735 ( 0.000 0.000 0.000) 0.000 3.210 ( 0.000 0.000 0.000) 0.000 3.313 ( 0.000 0.000 0.000) 0.000 3.359 ( 0.000 0.000 0.000) 0.000 3.782 ( 0.000 0.000 0.000) 0.000 4.072 ( 0.000 0.000 0.000) 0.000 8.528 ( 0.000 0.000 0.000) 0.000 8.745 ( 0.000 0.000 0.000) 0.000 9.213 ( 0.000 0.000 0.000) 0.000 10.868 ( 0.000 0.000 0.000) 0.000 15.699 ( 0.000 0.000 0.000) 0.000 16.436 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/429) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.275 ( 0.905 -14.306 1.758) 14.443 0.278 ( 8.261 -11.062 4.800) 14.617 0.544 ( 7.992 -25.663 1.278) 26.909 1.575 ( -5.090 0.440 -3.032) 5.941 1.682 ( -0.642 -7.218 0.970) 7.311 1.723 ( -1.797 -2.177 1.480) 3.187 1.859 ( 11.201 1.244 2.607) 11.567 2.364 ( 8.075 2.212 -0.811) 8.412 2.612 ( 1.160 0.984 -0.554) 1.619 3.211 ( 1.615 -2.026 -5.603) 6.174 3.302 ( -2.259 0.425 0.200) 2.307 3.383 ( -0.658 -2.889 -1.005) 3.128 3.764 ( -3.444 -0.447 1.227) 3.684 4.075 ( 1.855 0.393 0.068) 1.897 4.464 ( -7.357 -0.271 1.239) 7.466 8.723 ( -0.840 1.979 -0.770) 2.284 9.169 ( 0.952 4.231 -2.198) 4.862 10.509 ( -36.170 -30.404 -80.476) 93.322 10.945 ( -37.581 3.034 60.648) 71.412 15.671 ( -3.739 1.975 1.428) 4.462 16.625 ( 47.105 17.816 10.053) 51.355 ======================= Grid point 2 (3/429) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 6.901 -10.225 2.795) 12.649 0.552 ( 0.002 -14.230 2.407) 14.432 1.029 ( 8.945 -20.566 0.499) 22.432 1.513 ( -8.998 -0.254 -3.148) 9.536 1.717 ( 1.848 0.226 1.785) 2.580 1.896 ( -1.542 -9.436 2.942) 10.003 1.960 ( 4.209 -9.033 -1.543) 10.084 2.368 ( 10.147 2.888 -0.893) 10.588 2.603 ( 2.630 0.710 -0.109) 2.726 3.247 ( 1.631 -2.711 -3.595) 4.789 3.273 ( -5.215 0.421 1.778) 5.526 3.443 ( 0.021 -4.128 -0.898) 4.225 3.756 ( 0.151 0.643 1.125) 1.305 4.074 ( 1.977 0.990 -1.044) 2.446 4.411 ( -8.363 0.487 -3.227) 8.977 8.657 ( -2.417 3.666 -1.180) 4.547 9.076 ( 4.930 6.387 -1.243) 8.164 10.500 ( -24.524 -11.686 -29.419) 40.043 10.895 ( -13.829 3.722 23.353) 27.395 15.596 ( -6.233 3.493 1.762) 7.359 16.618 ( 26.073 9.704 2.583) 27.940 ======================= Grid point 3 (4/429) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 3.110 -9.303 1.772) 9.968 0.808 ( 0.071 -12.422 1.924) 12.570 1.362 ( 7.273 -6.552 -2.095) 10.011 1.499 ( -5.988 -8.203 -0.944) 10.200 1.741 ( 1.361 -1.467 0.464) 2.054 2.029 ( -0.533 -6.541 0.786) 6.610 2.180 ( 3.854 -7.424 1.119) 8.440 2.399 ( 8.432 -2.660 -1.485) 8.965 2.627 ( 4.278 -0.963 0.965) 4.490 3.231 ( -7.349 -0.584 -0.114) 7.373 3.314 ( 1.192 -4.061 -1.671) 4.550 3.518 ( 1.093 -3.741 -0.831) 3.985 3.755 ( 2.074 0.347 0.635) 2.196 4.048 ( 0.233 1.821 -3.397) 3.861 4.320 ( -9.133 1.852 -5.427) 10.784 8.553 ( -3.881 4.918 -1.152) 6.369 8.997 ( 9.927 6.786 0.582) 12.038 10.400 ( -22.634 -2.885 -14.615) 27.097 10.827 ( -5.712 4.939 10.658) 13.062 15.486 ( -7.377 4.507 0.717) 8.675 16.605 ( 18.273 6.766 0.213) 19.487 ======================= Grid point 4 (5/429) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -1.638 -6.764 1.409) 7.100 1.021 ( 0.730 -10.059 0.719) 10.111 1.398 ( 0.109 -1.416 -2.503) 2.878 1.684 ( 4.722 -7.391 -0.506) 8.785 1.804 ( -0.158 -5.443 -0.341) 5.456 2.127 ( -1.923 -4.153 -1.379) 4.780 2.241 ( 9.039 2.443 1.065) 9.424 2.564 ( 2.744 -8.275 0.603) 8.739 2.700 ( 5.800 -3.175 1.832) 6.862 3.210 ( -9.548 -2.722 0.448) 9.939 3.398 ( 1.278 -5.025 -2.946) 5.964 3.580 ( 1.316 -2.599 -1.594) 3.321 3.782 ( 3.828 -1.301 0.277) 4.052 3.981 ( -2.656 2.482 -5.890) 6.922 4.191 ( -8.415 3.962 -5.630) 10.873 8.427 ( -4.058 5.453 -0.928) 6.860 8.952 ( 12.780 5.975 1.200) 14.159 10.238 ( -20.276 0.427 -9.690) 22.476 10.721 ( -2.819 7.385 5.541) 9.653 15.352 ( -7.443 4.957 -0.966) 8.995 16.595 ( 13.166 4.522 -0.283) 13.924 ======================= Grid point 5 (6/429) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -4.181 -2.411 0.755) 4.885 1.204 ( 1.527 -9.016 0.073) 9.145 1.434 ( 2.068 -2.320 -1.622) 3.506 1.812 ( 4.836 -4.708 -0.482) 6.767 1.922 ( -2.143 -7.131 0.045) 7.446 2.134 ( -0.337 0.554 -3.646) 3.703 2.272 ( 6.577 0.122 2.267) 6.958 2.662 ( 1.247 -1.071 0.305) 1.671 2.824 ( 6.463 -4.138 3.558) 8.459 3.223 ( -9.478 -4.834 -0.263) 10.642 3.483 ( 0.772 -4.471 -2.551) 5.205 3.612 ( 0.000 -1.573 -3.443) 3.785 3.829 ( 2.831 0.459 -2.867) 4.055 3.906 ( -3.616 -0.443 -3.212) 4.856 4.036 ( -5.177 5.260 -4.252) 8.517 8.304 ( -3.246 5.004 -0.818) 6.020 8.939 ( 12.286 4.193 0.759) 13.004 10.087 ( -16.713 -0.066 -6.109) 17.795 10.570 ( -0.866 9.167 2.362) 9.506 15.215 ( -6.287 4.460 -1.991) 7.961 16.596 ( 8.796 2.536 -0.112) 9.155 ======================= Grid point 6 (7/429) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -2.708 -0.353 0.228) 2.740 1.359 ( 1.353 -6.269 0.115) 6.414 1.479 ( 1.610 -1.531 -0.867) 2.385 1.919 ( 6.560 -3.026 0.227) 7.228 2.012 ( -3.876 -3.746 1.620) 5.629 2.099 ( -3.784 0.253 -4.010) 5.519 2.338 ( 6.180 -2.744 1.504) 6.927 2.640 ( -0.111 3.290 -0.410) 3.318 2.932 ( 5.043 -1.991 4.048) 6.766 3.258 ( -6.134 -3.805 -1.288) 7.332 3.540 ( -0.192 -2.118 -0.615) 2.214 3.621 ( -1.788 -2.614 -5.456) 6.309 3.778 ( -2.159 2.295 -1.584) 3.527 3.827 ( -1.359 6.065 -3.113) 6.952 4.012 ( 1.185 -2.971 -0.003) 3.199 8.208 ( -1.825 3.153 -0.591) 3.691 8.946 ( 7.832 2.037 0.189) 8.095 10.001 ( -10.654 -1.467 -2.487) 11.038 10.415 ( 0.726 7.455 0.308) 7.496 15.109 ( -3.678 2.704 -1.562) 4.825 16.604 ( 4.461 1.044 0.034) 4.582 ======================= Grid point 7 (8/429) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 394 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 0.000 -0.000 0.000) 0.000 1.426 ( 0.000 -0.000 0.000) 0.000 1.496 ( -0.000 -0.000 0.000) 0.000 1.989 ( 0.000 -0.000 0.000) 0.000 2.022 ( -0.000 -0.000 0.000) 0.000 2.066 ( -0.000 -0.000 -0.000) 0.000 2.417 ( 0.000 -0.000 0.000) 0.000 2.582 ( 0.000 -0.000 0.000) 0.000 2.978 ( 0.000 -0.000 0.000) 0.000 3.269 ( 0.000 -0.000 0.000) 0.000 3.558 ( 0.000 -0.000 0.000) 0.000 3.650 ( 0.000 -0.000 -0.000) 0.000 3.704 ( -0.000 -0.000 0.000) 0.000 3.772 ( 0.000 -0.000 0.000) 0.000 4.050 ( 0.000 -0.000 0.000) 0.000 8.171 ( -0.000 -0.000 0.000) 0.000 8.953 ( 0.000 -0.000 0.000) 0.000 9.981 ( 0.000 -0.000 0.000) 0.000 10.342 ( 0.000 -0.000 -0.000) 0.000 15.069 ( 0.000 -0.000 0.000) 0.000 16.608 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 16 (9/429) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.081 ( -0.849 0.000 12.705) 12.733 0.187 ( 10.057 -0.000 7.565) 12.585 0.414 ( 29.002 -0.000 7.162) 29.873 1.557 ( -2.908 0.000 1.422) 3.237 1.613 ( 3.276 -0.000 -0.878) 3.392 1.633 ( -9.513 0.000 -4.816) 10.663 2.251 ( -0.454 0.000 9.463) 9.474 2.615 ( 4.622 -0.000 -7.887) 9.142 2.741 ( 0.416 -0.000 0.778) 0.882 2.826 ( 44.281 -0.000 -59.287) 73.999 3.284 ( -4.224 0.000 -0.719) 4.285 3.353 ( -0.828 0.000 -0.397) 0.918 3.643 ( -14.227 0.000 26.334) 29.932 4.085 ( -1.486 0.000 5.109) 5.320 4.440 ( -15.077 0.000 20.077) 25.108 8.406 ( -15.411 0.000 0.494) 15.419 8.859 ( 13.696 -0.000 -0.101) 13.697 9.217 ( 1.542 -0.000 -1.065) 1.874 10.982 ( -29.927 0.000 45.866) 54.766 15.705 ( -0.294 0.000 1.874) 1.896 17.593 ( 17.651 -0.000 -29.478) 34.359 ======================= Grid point 17 (10/429) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.302 ( -0.049 -13.762 6.310) 15.140 0.441 ( 8.653 -9.911 4.603) 13.939 0.751 ( 20.882 -15.451 3.921) 26.271 1.468 ( -8.338 2.944 -3.990) 9.701 1.654 ( -5.988 -6.731 -0.420) 9.019 1.708 ( 2.411 -7.540 0.614) 7.940 2.049 ( 11.669 12.114 4.072) 17.306 2.498 ( 14.403 4.268 -3.782) 15.491 2.635 ( 3.828 0.909 -0.252) 3.943 3.168 ( 3.637 -7.720 -11.990) 14.717 3.248 ( -6.564 -0.059 -0.274) 6.570 3.362 ( -1.377 -2.694 -0.481) 3.063 3.740 ( -2.882 -3.444 4.414) 6.297 4.103 ( 0.646 0.157 1.890) 2.003 4.366 ( -9.752 3.144 3.020) 10.682 8.645 ( -10.755 -4.668 -5.338) 12.882 9.169 ( 4.721 0.385 -4.457) 6.504 9.576 ( -31.736 -50.382 -22.024) 63.487 10.961 ( -17.877 2.431 28.128) 33.417 15.660 ( -1.808 4.655 3.273) 5.971 17.161 ( 29.415 28.287 -3.327) 40.945 ======================= Grid point 18 (11/429) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 0.285 -13.405 4.324) 14.088 0.658 ( 8.446 -6.933 2.798) 11.279 1.181 ( 14.405 -17.274 1.068) 22.517 1.372 ( -9.366 -0.256 -3.559) 10.023 1.712 ( -2.452 -3.161 -0.180) 4.004 1.937 ( 1.995 -11.507 4.852) 12.647 2.009 ( 5.567 -1.360 -0.620) 5.764 2.499 ( 13.011 3.615 -3.230) 13.885 2.651 ( 5.120 0.222 0.718) 5.175 3.183 ( -7.020 0.187 -1.916) 7.279 3.257 ( 0.648 -2.846 -1.026) 3.094 3.431 ( -0.443 -5.349 -1.410) 5.549 3.774 ( 0.737 -0.116 1.981) 2.117 4.089 ( 2.126 2.547 -1.913) 3.830 4.254 ( -11.816 1.570 -3.955) 12.559 8.593 ( -5.390 2.031 -3.079) 6.531 9.157 ( 9.626 3.799 -0.479) 10.359 9.945 ( -31.166 -22.287 -17.761) 42.231 10.911 ( -10.269 3.498 16.853) 20.043 15.553 ( -4.317 6.176 2.860) 8.059 16.928 ( 22.187 15.173 -1.567) 26.925 ======================= Grid point 19 (12/429) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 0.890 -7.774 3.500) 8.572 0.840 ( 4.182 -9.303 0.636) 10.219 1.335 ( -5.167 -2.356 -3.147) 6.493 1.543 ( 10.720 -12.847 -0.036) 16.732 1.747 ( -0.163 -1.744 -0.095) 1.754 2.032 ( -0.013 -3.028 0.499) 3.069 2.237 ( 2.820 -11.454 3.127) 12.204 2.505 ( 11.586 1.384 -3.091) 12.071 2.700 ( 5.970 -1.450 1.320) 6.283 3.128 ( -10.007 -0.370 1.019) 10.066 3.315 ( 1.596 -3.551 -2.425) 4.586 3.521 ( 0.946 -4.381 -1.605) 4.761 3.787 ( 1.921 -0.230 0.785) 2.088 4.010 ( -0.633 4.713 -6.355) 7.938 4.146 ( -10.970 0.553 -5.445) 12.260 8.496 ( -3.379 4.392 -2.010) 5.895 9.142 ( 12.411 5.423 1.139) 13.592 9.976 ( -27.054 -8.930 -13.276) 31.431 10.840 ( -6.245 5.003 10.464) 13.173 15.411 ( -6.097 6.430 0.764) 8.894 16.813 ( 16.316 9.777 -1.599) 19.088 ======================= Grid point 20 (13/429) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -0.694 -3.598 1.767) 4.068 1.038 ( 1.804 -9.766 -0.402) 9.939 1.368 ( -1.216 -4.239 -1.868) 4.789 1.767 ( 7.366 -3.256 -0.588) 8.075 1.799 ( 1.855 -6.573 -0.744) 6.870 2.080 ( -4.039 -3.170 -1.601) 5.379 2.360 ( 8.357 1.640 1.559) 8.657 2.609 ( 4.183 -5.977 0.364) 7.305 2.792 ( 6.976 -4.201 1.377) 8.259 3.095 ( -10.842 -2.380 2.202) 11.317 3.388 ( 1.466 -4.621 -3.595) 6.035 3.577 ( 1.030 -1.746 -2.993) 3.615 3.826 ( 2.978 -2.330 0.067) 3.782 3.878 ( -5.029 3.623 -8.096) 10.196 4.048 ( -7.236 2.198 -4.932) 9.028 8.382 ( -1.826 5.320 -1.644) 5.861 9.110 ( 10.895 6.203 0.996) 12.577 9.898 ( -20.839 -4.784 -10.432) 23.791 10.730 ( -3.925 7.442 6.738) 10.779 15.258 ( -6.529 5.592 -1.302) 8.694 16.742 ( 11.709 6.755 -1.127) 13.565 ======================= Grid point 21 (14/429) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -1.141 -1.590 0.855) 2.136 1.219 ( 1.264 -9.020 -0.942) 9.157 1.439 ( 1.327 -3.545 -1.297) 4.002 1.850 ( -1.219 -5.819 0.737) 5.991 1.929 ( 5.883 -3.830 -1.017) 7.093 2.073 ( -4.386 -0.032 -3.333) 5.509 2.377 ( 7.360 1.228 1.189) 7.555 2.676 ( 0.993 0.516 0.029) 1.120 2.935 ( 6.707 -3.881 3.680) 8.578 3.115 ( -8.474 -5.967 1.006) 10.413 3.468 ( 0.773 -4.710 -3.328) 5.819 3.566 ( -1.931 0.405 -5.508) 5.851 3.780 ( -2.697 0.966 -4.598) 5.418 3.886 ( 0.570 0.719 -1.166) 1.484 3.957 ( -2.656 -0.799 -3.112) 4.169 8.273 ( -0.283 4.847 -1.527) 5.089 9.052 ( 4.314 5.313 -0.108) 6.845 9.851 ( -11.654 -5.066 -7.085) 14.549 10.580 ( -1.915 9.014 4.113) 10.091 15.130 ( -5.199 3.493 -1.917) 6.550 16.691 ( 7.388 4.710 -0.704) 8.790 ======================= Grid point 22 (15/429) ======================= q-point: ( 0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 1.084 -0.654 0.639) 1.418 1.359 ( -1.047 -5.766 -0.968) 5.940 1.494 ( 2.377 -1.632 -0.652) 2.956 1.959 ( -6.990 -5.191 2.571) 9.078 1.984 ( -1.128 -1.565 -2.034) 2.803 2.042 ( 4.870 -0.193 -2.763) 5.603 2.423 ( 5.782 -1.428 0.683) 5.995 2.622 ( -1.657 4.454 -1.111) 4.880 2.991 ( -0.757 0.990 2.088) 2.432 3.217 ( 0.896 -6.160 0.694) 6.263 3.528 ( -1.624 -2.222 0.149) 2.756 3.561 ( -0.406 -4.806 -4.710) 6.741 3.751 ( -1.415 1.185 0.094) 1.848 3.800 ( 1.014 3.806 -3.381) 5.191 4.014 ( -0.287 -3.373 -0.947) 3.515 8.199 ( 1.528 2.729 -1.058) 3.302 8.970 ( -4.199 3.297 -0.777) 5.395 9.895 ( -1.601 -6.451 -4.304) 7.919 10.428 ( -0.649 7.471 2.927) 8.050 15.063 ( -2.256 0.462 -0.914) 2.478 16.647 ( 3.040 3.344 -0.593) 4.558 ======================= Grid point 23 (16/429) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 3.776 -0.359 0.563) 3.834 1.397 ( -3.405 -0.532 -0.740) 3.525 1.509 ( 1.021 1.720 -0.082) 2.002 1.914 ( -5.711 1.044 -1.106) 5.910 2.031 ( -2.600 -1.640 -0.816) 3.181 2.108 ( 5.386 -2.715 1.373) 6.186 2.427 ( 1.454 7.634 -0.423) 7.782 2.563 ( -2.138 -3.753 -0.857) 4.404 2.933 ( -4.464 2.797 -2.345) 5.766 3.322 ( 5.675 -1.772 2.295) 6.372 3.555 ( -1.145 -0.815 0.808) 1.621 3.681 ( 3.496 -5.805 2.060) 7.083 3.708 ( 0.063 -0.015 0.950) 0.952 3.778 ( 1.341 -0.476 -0.515) 1.514 4.033 ( -1.918 0.305 -1.275) 2.324 8.190 ( 3.460 -0.472 -0.283) 3.503 8.880 ( -10.603 1.026 -0.803) 10.683 10.019 ( 7.629 -6.042 -3.236) 10.256 10.347 ( -1.629 1.312 3.718) 4.266 15.081 ( 1.329 -2.602 0.752) 3.017 16.598 ( -1.173 2.350 -0.647) 2.705 ======================= Grid point 24 (17/429) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 5.911 0.382 0.282) 5.930 1.335 ( -1.964 5.468 -0.346) 5.820 1.453 ( -3.784 2.224 0.149) 4.392 1.859 ( -2.694 2.491 -0.193) 3.674 2.024 ( -0.427 0.835 -0.991) 1.365 2.164 ( 1.298 2.180 4.308) 5.000 2.264 ( -2.643 4.941 -3.034) 6.372 2.636 ( -0.928 -3.292 0.168) 3.425 2.836 ( -4.998 3.047 -3.842) 7.002 3.358 ( 7.553 2.921 2.138) 8.376 3.543 ( -0.425 1.742 0.473) 1.854 3.670 ( 0.454 2.680 3.232) 4.223 3.809 ( -0.569 -1.608 2.450) 2.985 3.897 ( 5.726 -8.055 3.308) 10.422 3.991 ( -1.674 0.313 -0.367) 1.742 8.253 ( 5.077 -3.309 0.251) 6.065 8.806 ( -13.541 -1.458 -0.825) 13.644 10.161 ( 13.719 -3.304 -1.089) 14.153 10.406 ( -2.843 -7.190 3.278) 8.398 15.173 ( 4.316 -4.695 1.842) 6.638 16.543 ( -4.952 1.283 -0.607) 5.151 ======================= Grid point 25 (18/429) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 5.712 4.125 -0.475) 7.061 1.186 ( -1.128 8.764 -0.255) 8.840 1.407 ( -4.087 0.319 0.909) 4.199 1.779 ( -1.166 4.863 0.377) 5.015 1.948 ( 1.985 8.394 -0.191) 8.628 2.111 ( -8.050 -1.670 2.974) 8.743 2.224 ( 1.172 1.754 -1.823) 2.788 2.645 ( -1.169 1.896 0.168) 2.233 2.730 ( -4.454 3.941 -3.098) 6.705 3.338 ( 8.205 4.743 1.080) 9.538 3.491 ( -0.579 4.078 1.542) 4.398 3.629 ( -0.449 2.821 1.745) 3.348 3.786 ( -4.723 2.083 0.048) 5.162 3.980 ( 2.533 -1.851 3.821) 4.944 4.139 ( 5.649 -8.223 3.918) 10.719 8.364 ( 5.992 -4.769 0.442) 7.671 8.772 ( -13.378 -4.281 -0.995) 14.082 10.315 ( 13.873 -4.273 3.057) 14.835 10.563 ( -0.552 -9.191 -0.027) 9.207 15.307 ( 5.997 -5.371 1.698) 8.228 16.490 ( -8.079 -0.082 -0.412) 8.090 ======================= Grid point 26 (19/429) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 1.155 9.942 -0.785) 10.040 1.013 ( 0.428 9.995 -0.678) 10.027 1.394 ( -2.617 0.337 1.328) 2.954 1.674 ( 1.930 6.739 0.277) 7.015 1.800 ( -1.475 6.653 0.412) 6.827 2.134 ( -6.374 -3.351 1.764) 7.414 2.156 ( 0.986 5.445 -1.466) 5.724 2.534 ( -1.444 9.491 -0.368) 9.608 2.631 ( -3.230 2.571 -1.206) 4.301 3.307 ( 6.325 3.302 -0.034) 7.135 3.404 ( -0.967 5.281 1.895) 5.694 3.575 ( -0.892 3.141 0.620) 3.323 3.736 ( -3.106 0.233 -0.339) 3.134 4.040 ( 1.197 -1.285 3.106) 3.568 4.315 ( 5.287 -5.462 3.626) 8.422 8.491 ( 5.269 -4.810 0.540) 7.155 8.801 ( -10.165 -7.143 -0.877) 12.454 10.505 ( 12.110 -5.519 6.315) 14.730 10.711 ( 1.698 -7.042 -3.553) 8.068 15.446 ( 6.290 -4.964 0.691) 8.043 16.447 ( -10.251 -1.399 -0.349) 10.352 ======================= Grid point 27 (20/429) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -1.300 12.178 -0.717) 12.268 0.801 ( 0.350 12.993 -0.771) 13.021 1.292 ( -3.838 10.878 0.402) 11.542 1.605 ( 7.672 3.014 1.480) 8.375 1.699 ( -4.638 2.487 -0.997) 5.356 2.034 ( 0.832 7.309 -0.350) 7.365 2.131 ( -2.762 3.732 -0.043) 4.643 2.337 ( -2.712 7.217 0.279) 7.715 2.586 ( -1.585 0.500 -0.295) 1.688 3.297 ( 3.238 0.910 -0.298) 3.376 3.314 ( -0.793 4.355 1.094) 4.560 3.511 ( -0.575 3.396 0.206) 3.450 3.732 ( -0.955 -0.986 -0.258) 1.396 4.063 ( -0.122 -0.199 1.145) 1.169 4.430 ( 3.481 -2.855 2.161) 4.994 8.599 ( 2.185 -4.139 0.355) 4.694 8.906 ( -4.231 -8.834 -0.096) 9.796 10.696 ( 6.247 -4.740 12.346) 14.625 10.810 ( 5.445 -4.402 -10.328) 12.477 15.565 ( 4.831 -4.062 -0.124) 6.313 16.414 ( -9.919 -1.910 -0.696) 10.125 ======================= Grid point 28 (21/429) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( 0.000 13.129 -0.000) 13.129 0.545 ( 0.000 14.485 -0.000) 14.485 0.972 ( 0.000 21.603 -0.000) 21.603 1.619 ( 0.000 1.614 -0.000) 1.614 1.655 ( -0.000 -1.605 0.000) 1.605 1.913 ( 0.000 5.922 -0.000) 5.922 1.931 ( 0.000 13.717 -0.000) 13.717 2.303 ( -0.000 -1.944 0.000) 1.944 2.588 ( -0.000 -1.057 0.000) 1.057 3.249 ( 0.000 2.616 -0.000) 2.616 3.302 ( -0.000 -0.251 0.000) 0.251 3.446 ( 0.000 3.488 -0.000) 3.488 3.751 ( -0.000 -1.291 0.000) 1.291 4.065 ( -0.000 -0.103 0.000) 0.103 4.479 ( -0.000 -0.913 0.000) 0.913 8.675 ( -0.000 -3.409 0.000) 3.409 9.053 ( -0.000 -7.884 0.000) 7.884 10.842 ( -0.000 -4.195 0.000) 4.195 10.851 ( -0.000 -1.510 0.000) 1.510 15.645 ( -0.000 -2.880 0.000) 2.880 16.404 ( -0.000 -1.381 0.000) 1.381 ======================= Grid point 31 (22/429) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.187 ( 1.466 -0.000 12.683) 12.768 0.359 ( 8.943 -0.000 6.480) 11.044 0.806 ( 27.349 -0.000 5.299) 27.857 1.449 ( -12.233 0.000 -6.379) 13.797 1.533 ( -2.834 0.000 1.369) 3.147 1.649 ( 3.555 -0.000 -0.369) 3.574 2.328 ( 4.399 -0.000 2.976) 5.311 2.612 ( 5.555 -0.000 -7.853) 9.620 2.759 ( 1.076 -0.000 1.651) 1.970 2.894 ( 21.971 -0.000 -24.102) 32.614 3.203 ( -7.897 0.000 -0.633) 7.923 3.334 ( -1.551 0.000 -0.732) 1.715 3.704 ( -1.367 0.000 12.088) 12.165 4.109 ( -3.448 0.000 7.585) 8.332 4.411 ( -7.611 0.000 6.975) 10.323 8.212 ( -16.739 0.000 0.300) 16.742 9.026 ( 13.511 -0.000 0.322) 13.515 9.241 ( 4.262 -0.000 -1.262) 4.445 10.986 ( -17.225 0.000 25.486) 30.761 15.719 ( -0.993 0.000 3.317) 3.462 17.560 ( 7.956 -0.000 -16.789) 18.579 ======================= Grid point 32 (23/429) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( 1.158 -11.143 8.207) 13.887 0.565 ( 6.860 -10.234 3.692) 12.862 1.052 ( 22.705 -8.001 2.702) 24.225 1.319 ( -9.635 2.176 -3.764) 10.571 1.594 ( -3.807 -6.134 0.232) 7.223 1.750 ( 3.268 -8.516 0.998) 9.176 2.194 ( 8.740 11.967 1.986) 14.951 2.597 ( 8.416 1.393 -5.454) 10.126 2.716 ( 8.608 2.235 0.213) 8.896 3.113 ( 1.446 -7.320 -10.609) 12.970 3.157 ( -6.650 -3.231 -0.040) 7.394 3.341 ( -1.639 -2.459 -0.365) 2.978 3.770 ( 0.730 -1.708 5.498) 5.804 4.111 ( -4.093 0.434 5.164) 6.604 4.291 ( -5.012 8.267 0.081) 9.668 8.397 ( -19.014 -17.652 -6.267) 26.691 9.229 ( 8.690 -5.705 -2.206) 10.626 9.309 ( -3.971 -13.095 -2.744) 13.957 10.963 ( -13.939 1.915 19.575) 24.107 15.668 ( -2.039 5.784 3.781) 7.205 17.348 ( 13.370 17.114 -8.786) 23.427 ======================= Grid point 33 (24/429) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( -0.845 -11.882 4.227) 12.640 0.776 ( 8.177 -6.426 2.007) 10.592 1.249 ( -6.326 -1.347 -2.170) 6.822 1.371 ( 14.526 -12.517 1.169) 19.211 1.681 ( -1.561 -4.998 -0.425) 5.253 1.998 ( 2.492 -14.673 3.337) 15.252 2.086 ( 6.520 6.108 1.124) 9.004 2.608 ( 10.161 1.698 -4.674) 11.312 2.737 ( 7.657 1.014 0.055) 7.724 3.074 ( -10.101 0.361 1.477) 10.215 3.254 ( 1.631 -4.197 -3.325) 5.597 3.412 ( -0.867 -6.174 -1.429) 6.396 3.803 ( 0.978 0.187 2.322) 2.526 4.078 ( -9.971 1.312 1.293) 10.139 4.097 ( 0.091 7.799 -6.966) 10.458 8.476 ( -8.842 -4.016 -4.783) 10.825 9.294 ( 12.363 2.259 0.662) 12.585 9.522 ( -20.435 -15.823 -8.849) 27.318 10.912 ( -10.312 2.882 13.901) 17.546 15.528 ( -3.796 8.462 2.547) 9.618 17.119 ( 14.415 13.782 -4.630) 20.474 ======================= Grid point 34 (25/429) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -2.726 -9.423 2.139) 10.040 0.921 ( 8.129 -4.027 0.433) 9.083 1.269 ( -2.526 -4.128 -0.243) 4.846 1.660 ( 5.854 -10.696 -0.697) 12.213 1.760 ( 5.269 -3.282 -0.762) 6.254 2.034 ( 0.267 2.204 -0.452) 2.265 2.299 ( 2.365 -13.058 4.598) 14.044 2.612 ( 10.566 2.191 -4.603) 11.731 2.779 ( 5.277 -1.521 0.154) 5.494 3.023 ( -9.880 -0.309 4.637) 10.918 3.313 ( 1.794 -3.153 -3.149) 4.803 3.514 ( 0.446 -4.977 -2.218) 5.467 3.808 ( 0.146 -0.185 0.472) 0.528 3.895 ( -6.775 5.465 -9.464) 12.858 4.026 ( -3.570 1.970 -2.270) 4.667 8.438 ( -2.850 2.005 -3.338) 4.825 9.289 ( 7.571 5.905 0.875) 9.641 9.590 ( -17.910 -9.967 -9.547) 22.611 10.841 ( -7.314 4.473 9.870) 13.073 15.347 ( -5.256 8.374 0.059) 9.887 16.967 ( 12.170 10.293 -2.678) 16.163 ======================= Grid point 35 (26/429) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -0.847 -3.048 1.652) 3.569 1.062 ( 4.307 -7.632 -1.964) 8.981 1.356 ( 0.539 -5.434 0.326) 5.471 1.771 ( -1.301 -2.760 -0.359) 3.072 1.898 ( 9.321 -4.499 -1.139) 10.412 2.007 ( -3.955 -1.597 -2.409) 4.898 2.451 ( 4.052 0.440 1.690) 4.412 2.670 ( 5.897 -3.317 -0.539) 6.788 2.870 ( 4.067 -6.516 -0.623) 7.706 3.007 ( -7.552 -1.186 6.087) 9.772 3.376 ( 1.534 -4.111 -3.924) 5.886 3.550 ( -0.610 0.320 -5.016) 5.063 3.746 ( -5.799 0.725 -6.564) 8.788 3.851 ( 1.251 -3.044 -0.836) 3.396 3.951 ( -3.334 2.761 -3.141) 5.348 8.357 ( 0.586 4.406 -2.787) 5.246 9.174 ( -4.069 6.983 -0.822) 8.123 9.640 ( -5.888 -7.433 -7.560) 12.127 10.733 ( -4.651 6.977 6.986) 10.914 15.175 ( -5.383 6.057 -1.668) 8.273 16.856 ( 8.948 8.034 -1.482) 12.117 ======================= Grid point 36 (27/429) ======================= q-point: ( 0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 1.513 -1.736 1.013) 2.516 1.219 ( 1.281 -7.988 -2.417) 8.443 1.454 ( 2.253 -3.894 -0.309) 4.510 1.816 ( -4.979 -4.756 1.464) 7.039 1.943 ( -6.091 -1.033 -2.415) 6.633 2.056 ( 9.363 -1.943 -2.502) 9.884 2.445 ( 2.221 1.086 0.040) 2.473 2.697 ( 2.973 3.148 0.143) 4.332 3.007 ( -4.366 0.192 4.166) 6.038 3.067 ( 3.204 -10.792 0.527) 11.270 3.447 ( 0.913 -4.630 -4.572) 6.571 3.493 ( -2.903 0.229 -3.620) 4.646 3.729 ( -1.288 -1.766 -2.446) 3.280 3.863 ( -1.108 3.701 -2.774) 4.756 3.928 ( -0.108 -4.704 -1.261) 4.871 8.274 ( 3.111 4.304 -2.217) 5.755 9.005 ( -10.854 5.432 -1.622) 12.245 9.737 ( 1.349 -7.476 -5.506) 9.382 10.590 ( -2.378 8.607 4.764) 10.121 15.061 ( -3.757 2.241 -1.618) 4.665 16.761 ( 5.279 6.524 -0.959) 8.447 ======================= Grid point 37 (28/429) ======================= q-point: ( 0.57 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 3.943 -1.339 1.028) 4.289 1.324 ( -2.308 -4.300 -2.065) 5.300 1.521 ( 2.166 -1.689 -0.334) 2.767 1.877 ( -7.682 -2.151 0.490) 7.993 1.921 ( -4.159 -4.338 -1.232) 6.135 2.128 ( 8.719 -0.538 -1.327) 8.836 2.460 ( -0.863 -2.769 -0.720) 2.988 2.607 ( 1.389 7.925 -0.256) 8.050 2.958 ( -4.457 2.890 -0.191) 5.316 3.273 ( 4.957 -7.877 1.524) 9.431 3.509 ( -2.275 -2.792 1.226) 3.804 3.544 ( 2.089 -7.815 -2.250) 8.397 3.739 ( -1.123 0.112 0.493) 1.232 3.799 ( 2.688 1.984 -2.402) 4.115 3.989 ( -1.958 -2.802 -1.801) 3.864 8.231 ( 5.349 2.217 -1.200) 5.913 8.843 ( -13.995 3.208 -1.524) 14.438 9.889 ( 5.182 -9.029 -4.205) 11.228 10.445 ( -1.229 7.251 3.872) 8.312 15.040 ( -0.962 -1.825 -0.323) 2.088 16.669 ( 1.600 5.424 -0.864) 5.721 ======================= Grid point 38 (29/429) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 6.105 -0.896 1.067) 6.262 1.343 ( -4.072 -1.206 -1.218) 4.417 1.504 ( -1.550 3.973 -0.318) 4.277 1.863 ( -0.790 -0.618 -1.215) 1.576 1.980 ( -5.259 -3.236 0.584) 6.203 2.175 ( 4.609 -0.974 -0.076) 4.712 2.427 ( -1.137 10.617 -0.960) 10.721 2.537 ( -0.667 -5.514 -0.272) 5.560 2.863 ( -3.535 3.968 -2.097) 5.713 3.412 ( 5.853 -2.749 1.812) 6.715 3.543 ( -2.006 -1.503 1.048) 2.717 3.719 ( 0.120 0.279 1.324) 1.358 3.750 ( 3.869 -10.232 2.549) 11.232 3.799 ( 2.856 -0.208 -0.232) 2.873 3.986 ( -3.388 0.305 -2.128) 4.013 8.252 ( 7.232 -0.696 -0.187) 7.268 8.712 ( -14.910 0.824 -1.213) 14.982 10.090 ( 8.391 -9.884 -4.476) 13.716 10.361 ( -2.160 2.228 5.111) 5.979 15.108 ( 1.713 -4.883 0.968) 5.264 16.574 ( -1.518 4.432 -0.837) 4.759 ======================= Grid point 39 (30/429) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 6.900 0.691 0.699) 6.969 1.313 ( -1.140 3.649 -0.287) 3.834 1.390 ( -5.947 3.404 -0.524) 6.873 1.850 ( 1.078 2.723 -0.257) 2.939 1.991 ( -3.614 -1.872 -0.019) 4.070 2.196 ( -1.723 8.666 4.282) 9.819 2.232 ( 1.990 1.648 -4.097) 4.843 2.627 ( -0.714 -3.715 0.446) 3.809 2.761 ( -2.837 3.799 -2.578) 5.397 3.460 ( 5.932 2.130 2.019) 6.618 3.539 ( -0.662 1.296 0.061) 1.457 3.690 ( 0.033 2.812 1.357) 3.122 3.803 ( -2.007 1.818 0.674) 2.791 3.964 ( -0.176 -1.613 0.210) 1.636 3.997 ( 3.627 -11.276 2.341) 12.074 8.336 ( 8.449 -3.017 0.312) 8.977 8.629 ( -13.985 -1.939 -0.974) 14.153 10.294 ( 12.266 -6.817 -5.523) 15.081 10.396 ( -5.687 -6.532 6.901) 11.074 15.233 ( 3.122 -6.284 1.322) 7.140 16.484 ( -3.479 3.271 -0.635) 4.817 ======================= Grid point 40 (31/429) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 3.319 6.663 -0.124) 7.445 1.175 ( -0.376 8.352 -0.097) 8.361 1.364 ( -2.820 -1.955 0.190) 3.437 1.781 ( 0.562 4.666 0.033) 4.700 1.963 ( 0.626 9.549 -0.021) 9.569 2.045 ( -3.965 -1.686 0.904) 4.402 2.230 ( 0.717 1.740 -0.391) 1.922 2.641 ( -0.256 2.538 0.944) 2.720 2.671 ( -1.786 3.555 -2.021) 4.463 3.423 ( 3.853 5.268 0.770) 6.572 3.494 ( -0.185 3.680 0.418) 3.708 3.634 ( -0.204 3.385 0.551) 3.436 3.735 ( -2.719 2.214 -0.305) 3.519 4.021 ( 0.747 -2.693 1.405) 3.128 4.214 ( 2.371 -9.028 1.611) 9.472 8.452 ( 7.257 -3.620 0.399) 8.120 8.618 ( -10.023 -5.629 -0.706) 11.517 10.451 ( 6.198 -6.503 -0.109) 8.984 10.556 ( -1.302 -9.500 1.272) 9.672 15.373 ( 2.708 -6.243 0.725) 6.843 16.412 ( -3.526 1.909 -0.303) 4.021 ======================= Grid point 41 (32/429) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 0.000 11.228 -0.000) 11.228 1.015 ( 0.000 10.026 -0.000) 10.026 1.379 ( 0.000 0.664 -0.000) 0.664 1.698 ( 0.000 4.414 -0.000) 4.414 1.785 ( 0.000 8.214 -0.000) 8.214 2.096 ( -0.000 -3.414 0.000) 3.414 2.161 ( 0.000 5.772 -0.000) 5.772 2.524 ( 0.000 9.881 -0.000) 9.881 2.607 ( 0.000 2.340 -0.000) 2.340 3.348 ( 0.000 3.691 -0.000) 3.691 3.405 ( 0.000 5.395 -0.000) 5.395 3.571 ( 0.000 3.399 -0.000) 3.399 3.713 ( -0.000 -0.418 0.000) 0.418 4.059 ( -0.000 -0.880 0.000) 0.880 4.363 ( -0.000 -5.964 0.000) 5.964 8.538 ( -0.000 -3.494 0.000) 3.494 8.724 ( -0.000 -8.764 0.000) 8.764 10.607 ( -0.000 -7.826 0.000) 7.826 10.707 ( -0.000 -6.788 0.000) 6.788 15.492 ( -0.000 -5.388 0.000) 5.388 16.377 ( 0.000 0.450 -0.000) 0.450 ======================= Grid point 46 (33/429) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.308 ( 1.855 -0.000 11.127) 11.281 0.503 ( 7.247 -0.000 4.944) 8.773 1.124 ( 17.474 -0.000 -3.193) 17.763 1.294 ( -2.688 0.000 1.623) 3.139 1.510 ( -2.650 0.000 1.141) 2.885 1.692 ( 3.613 -0.000 0.103) 3.614 2.395 ( 5.376 -0.000 -1.267) 5.524 2.626 ( 5.736 -0.000 -5.251) 7.777 2.794 ( 2.018 -0.000 2.563) 3.262 2.951 ( 12.979 -0.000 -16.252) 20.799 3.101 ( -9.266 0.000 2.881) 9.704 3.305 ( -2.074 0.000 -0.968) 2.289 3.795 ( 3.015 -0.000 7.351) 7.945 4.118 ( -5.358 0.000 7.612) 9.309 4.371 ( -4.738 0.000 1.795) 5.067 8.014 ( -16.011 0.000 -0.111) 16.011 9.183 ( 11.716 -0.000 0.722) 11.738 9.308 ( 8.378 -0.000 -0.448) 8.390 10.968 ( -15.243 0.000 18.351) 23.856 15.730 ( -2.194 0.000 3.925) 4.496 17.520 ( 5.176 -0.000 -12.679) 13.695 ======================= Grid point 47 (34/429) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( -1.171 -8.006 6.022) 10.087 0.672 ( 6.481 -9.668 3.312) 12.101 1.168 ( -2.581 -2.689 -4.621) 5.937 1.360 ( 16.441 -0.810 5.186) 17.259 1.563 ( -1.549 -5.918 0.411) 6.132 1.801 ( 3.648 -9.047 1.388) 9.853 2.296 ( 7.317 9.903 -0.626) 12.328 2.645 ( 6.503 -0.260 -4.537) 7.933 2.804 ( 6.274 1.326 -2.240) 6.792 3.020 ( -8.036 -2.083 0.703) 8.331 3.118 ( 1.909 -7.328 -4.406) 8.761 3.316 ( -1.771 -2.936 -0.836) 3.529 3.833 ( 2.585 0.818 4.579) 5.321 4.089 ( -7.245 2.559 6.747) 10.226 4.240 ( -1.528 9.674 -3.266) 10.324 8.133 ( -17.361 -18.226 -4.131) 25.508 9.270 ( 2.765 -2.798 -0.483) 3.963 9.382 ( 12.414 -1.034 0.397) 12.463 10.933 ( -14.122 1.155 14.929) 20.583 15.667 ( -3.076 6.523 3.453) 7.996 17.396 ( 7.712 10.273 -8.883) 15.618 ======================= Grid point 48 (35/429) ======================= q-point: ( 0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -3.890 -10.674 1.494) 11.458 0.893 ( 8.511 -7.167 2.161) 11.335 1.200 ( -1.403 -2.927 1.421) 3.544 1.515 ( 6.237 -6.531 0.780) 9.065 1.694 ( 6.045 -6.677 -0.495) 9.021 2.054 ( 2.831 -13.681 2.672) 14.224 2.171 ( 6.073 7.589 0.430) 9.730 2.668 ( 6.125 0.115 -6.618) 9.018 2.798 ( 2.528 0.861 -1.350) 2.993 2.999 ( -5.806 0.185 6.972) 9.075 3.242 ( 1.511 -5.374 -4.401) 7.108 3.389 ( -1.014 -6.411 -1.325) 6.625 3.827 ( -0.188 2.177 1.716) 2.778 3.954 ( -7.792 8.326 -0.303) 11.407 4.073 ( 0.530 5.188 -4.233) 6.717 8.307 ( -11.604 -11.369 -5.888) 17.279 9.292 ( -9.139 -1.779 -2.548) 9.652 9.469 ( 13.887 0.453 0.507) 13.903 10.883 ( -11.336 1.639 11.290) 16.083 15.497 ( -4.101 10.072 1.525) 10.982 17.220 ( 9.403 10.969 -5.056) 15.307 ======================= Grid point 49 (36/429) ======================= q-point: ( 0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -4.143 -9.930 0.016) 10.760 1.038 ( 10.127 -2.015 0.994) 10.373 1.273 ( 1.039 -4.289 2.769) 5.210 1.660 ( -2.423 -7.728 -1.028) 8.164 1.859 ( 8.842 -5.072 -0.664) 10.215 2.036 ( 2.457 6.288 -1.927) 7.020 2.364 ( 1.929 -12.615 4.786) 13.630 2.648 ( 1.356 -0.037 -7.421) 7.544 2.819 ( 2.313 -1.387 1.458) 3.066 3.004 ( -1.325 0.390 7.371) 7.499 3.306 ( 1.582 -3.157 -3.725) 5.133 3.497 ( -0.149 -5.013 -2.468) 5.589 3.713 ( -7.870 4.861 -6.697) 11.420 3.833 ( 0.333 1.477 -0.390) 1.564 3.984 ( -1.020 3.386 -2.138) 4.133 8.366 ( -3.552 -2.930 -5.224) 6.963 9.193 ( -15.128 3.040 -2.589) 15.646 9.548 ( 11.483 -1.110 -1.780) 11.673 10.822 ( -7.806 3.195 8.440) 11.932 15.284 ( -4.641 9.675 -0.720) 10.755 17.069 ( 8.426 9.815 -2.562) 13.187 ======================= Grid point 50 (37/429) ======================= q-point: ( 0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -2.160 -6.313 0.437) 6.686 1.126 ( 8.568 -2.373 -1.291) 8.984 1.384 ( 2.249 -5.181 1.829) 5.937 1.752 ( -1.255 -2.875 -0.492) 3.175 1.855 ( -10.271 0.338 -1.849) 10.441 2.067 ( 12.495 -2.844 -2.189) 13.001 2.474 ( -1.912 0.922 0.701) 2.236 2.728 ( 4.178 -5.983 -1.752) 7.505 2.884 ( -0.087 -5.044 2.730) 5.736 3.021 ( 0.183 -0.136 4.795) 4.801 3.361 ( 1.407 -3.563 -4.299) 5.759 3.482 ( -2.767 2.366 -5.435) 6.542 3.654 ( -3.001 -3.701 -3.233) 5.758 3.838 ( -1.230 -2.031 -1.575) 2.849 3.918 ( 0.193 2.484 -1.146) 2.742 8.350 ( 2.739 1.904 -3.965) 5.182 9.007 ( -16.953 4.970 -2.071) 17.787 9.637 ( 8.189 -3.496 -3.415) 9.537 10.731 ( -4.420 6.063 6.004) 9.610 15.104 ( -4.032 6.034 -1.664) 7.446 16.934 ( 5.997 8.805 -1.265) 10.728 ======================= Grid point 51 (38/429) ======================= q-point: ( 0.57 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 1.750 -3.604 1.083) 4.150 1.223 ( 3.394 -4.405 -2.647) 6.159 1.483 ( 2.397 -3.266 -0.208) 4.056 1.749 ( -8.899 -3.475 1.960) 9.752 1.847 ( -4.142 -2.913 -2.729) 5.753 2.166 ( 10.458 -1.033 -1.899) 10.679 2.429 ( -3.849 1.118 -0.367) 4.025 2.755 ( 5.697 5.168 0.518) 7.709 2.957 ( -6.352 -0.645 2.642) 6.909 3.126 ( 3.918 -9.835 -0.184) 10.588 3.421 ( 1.020 -4.944 -3.876) 6.365 3.453 ( -1.472 -2.071 -0.233) 2.552 3.701 ( -1.037 -3.015 -1.483) 3.516 3.836 ( -0.133 0.942 -1.712) 1.959 3.917 ( -0.358 -2.325 -1.102) 2.597 8.316 ( 7.008 3.151 -2.346) 8.034 8.810 ( -17.126 4.132 -1.647) 17.694 9.757 ( 5.899 -6.542 -3.360) 9.428 10.598 ( -2.016 8.090 3.894) 9.202 15.014 ( -2.263 0.909 -1.097) 2.674 16.804 ( 3.104 7.923 -0.786) 8.545 ======================= Grid point 52 (39/429) ======================= q-point: ( 0.64 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 4.416 -2.619 1.331) 5.304 1.277 ( -2.273 -2.202 -2.268) 3.894 1.531 ( -0.047 -0.786 -0.277) 0.835 1.809 ( -3.268 -4.960 -0.071) 5.940 1.871 ( -3.241 -3.645 -0.026) 4.878 2.216 ( 7.578 1.061 -1.270) 7.757 2.405 ( -5.773 -2.625 -0.678) 6.378 2.641 ( 2.834 9.334 0.298) 9.759 2.907 ( -2.887 2.877 -0.497) 4.106 3.332 ( 3.148 -9.144 0.426) 9.681 3.493 ( -1.604 -2.443 0.771) 3.023 3.566 ( 2.338 -10.291 0.093) 10.553 3.730 ( -0.880 -1.005 0.306) 1.370 3.827 ( 3.774 0.543 -0.464) 3.841 3.941 ( -3.310 -1.620 -2.056) 4.220 8.313 ( 9.655 1.798 -0.705) 9.846 8.643 ( -16.135 2.340 -1.293) 16.355 9.925 ( 4.508 -9.617 -2.615) 10.938 10.459 ( -0.933 6.939 2.719) 7.510 15.032 ( -0.239 -3.639 -0.030) 3.647 16.675 ( 0.600 6.961 -0.619) 7.014 ======================= Grid point 53 (40/429) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 5.195 -1.584 1.122) 5.546 1.282 ( -3.980 -1.703 -1.208) 4.494 1.479 ( -1.402 5.598 -0.169) 5.774 1.872 ( 3.276 -1.895 -1.101) 3.941 1.922 ( -5.070 -3.154 1.020) 6.057 2.215 ( 2.067 0.694 -0.303) 2.201 2.397 ( -1.698 6.441 -0.419) 6.675 2.538 ( 0.375 -2.066 0.045) 2.101 2.822 ( -1.207 4.510 -0.803) 4.737 3.481 ( 3.969 -3.935 0.164) 5.591 3.524 ( -2.563 -1.888 0.973) 3.328 3.729 ( 0.049 0.765 0.638) 0.997 3.798 ( 1.769 -11.906 0.732) 12.059 3.842 ( 2.934 1.083 1.115) 3.320 3.925 ( -3.274 -1.021 -1.863) 3.903 8.363 ( 11.144 -0.513 0.349) 11.162 8.523 ( -14.270 0.094 -0.983) 14.304 10.136 ( 3.457 -11.461 -2.148) 12.162 10.373 ( -0.983 2.494 2.437) 3.623 15.130 ( 0.784 -6.302 0.443) 6.366 16.555 ( -0.697 5.743 -0.384) 5.798 ======================= Grid point 54 (41/429) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 0.000 1.426 -0.000) 1.426 1.305 ( -0.000 -2.657 0.000) 2.657 1.336 ( 0.000 8.755 -0.000) 8.755 1.862 ( 0.000 3.596 -0.000) 3.596 1.962 ( -0.000 -3.111 0.000) 3.111 2.200 ( 0.000 12.136 -0.000) 12.136 2.232 ( -0.000 -1.222 0.000) 1.222 2.625 ( -0.000 -4.129 0.000) 4.129 2.732 ( 0.000 4.351 -0.000) 4.351 3.518 ( 0.000 2.417 -0.000) 2.417 3.525 ( 0.000 0.167 -0.000) 0.167 3.695 ( 0.000 2.859 -0.000) 2.859 3.789 ( 0.000 4.137 -0.000) 4.137 3.961 ( -0.000 -4.059 0.000) 4.059 4.034 ( -0.000 -11.269 0.000) 11.269 8.448 ( -0.000 -1.139 0.000) 1.139 8.479 ( -0.000 -3.969 0.000) 3.969 10.358 ( -0.000 -11.508 0.000) 11.508 10.379 ( -0.000 -2.822 0.000) 2.822 15.259 ( -0.000 -6.954 0.000) 6.954 16.459 ( 0.000 4.118 -0.000) 4.118 ======================= Grid point 61 (42/429) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.384 ( -1.340 0.000 5.918) 6.068 0.611 ( 5.271 -0.000 3.327) 6.233 1.118 ( -0.501 0.000 -1.892) 1.958 1.488 ( -2.287 0.000 0.837) 2.435 1.499 ( 19.132 -0.000 4.507) 19.656 1.736 ( 3.253 -0.000 0.345) 3.272 2.431 ( 4.225 -0.000 -4.376) 6.083 2.657 ( 5.220 -0.000 -5.679) 7.714 2.848 ( 2.945 -0.000 3.233) 4.373 2.916 ( -2.554 0.000 -4.776) 5.416 3.070 ( 0.774 -0.000 0.697) 1.042 3.269 ( -2.326 0.000 -1.103) 2.574 3.885 ( 3.842 -0.000 4.153) 5.658 4.102 ( -6.131 0.000 6.058) 8.619 4.328 ( -3.153 0.000 -0.414) 3.180 7.830 ( -13.915 0.000 -0.502) 13.924 9.317 ( 9.286 -0.000 0.917) 9.331 9.438 ( 12.941 -0.000 0.741) 12.962 10.908 ( -16.098 0.000 13.616) 21.085 15.726 ( -3.406 0.000 3.508) 4.890 17.486 ( 4.307 -0.000 -9.804) 10.708 ======================= Grid point 62 (43/429) ======================= q-point: ( 0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( -3.974 -5.584 1.875) 7.105 0.771 ( 5.554 -10.482 2.662) 12.157 1.145 ( 0.834 -2.401 2.176) 3.346 1.510 ( 0.547 -1.153 1.669) 2.102 1.629 ( 13.997 -3.556 0.937) 14.472 1.861 ( 4.435 -9.689 1.773) 10.802 2.356 ( 5.094 7.351 -3.077) 9.458 2.653 ( 0.921 -0.192 -8.466) 8.518 2.828 ( 0.745 1.812 1.854) 2.697 2.983 ( -2.413 -3.686 5.876) 7.344 3.115 ( 2.776 -4.998 -3.932) 6.939 3.286 ( -1.828 -3.556 -1.164) 4.164 3.896 ( 2.751 2.594 2.710) 4.652 4.052 ( -7.000 4.299 5.829) 10.072 4.197 ( -0.736 9.761 -4.074) 10.603 7.916 ( -13.763 -15.801 -3.000) 21.169 9.318 ( 4.599 4.505 0.636) 6.469 9.552 ( 14.482 -1.473 1.016) 14.592 10.860 ( -15.181 -0.035 10.986) 18.739 15.648 ( -3.800 7.169 2.436) 8.472 17.409 ( 5.411 6.716 -7.071) 11.153 ======================= Grid point 63 (44/429) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( -3.943 -10.209 0.215) 10.946 1.012 ( 8.075 -8.788 1.995) 12.100 1.221 ( 0.642 -3.986 3.523) 5.358 1.539 ( -0.956 -2.303 0.293) 2.511 1.816 ( 12.614 -6.494 0.046) 14.187 2.109 ( 2.716 -11.039 2.624) 11.667 2.230 ( 4.254 6.413 -1.645) 7.869 2.599 ( -6.756 0.126 -8.127) 10.569 2.835 ( 3.195 0.075 3.433) 4.690 3.035 ( 1.184 -0.650 5.732) 5.889 3.221 ( 0.880 -5.668 -4.433) 7.249 3.367 ( -0.975 -6.546 -1.229) 6.731 3.812 ( -2.924 9.852 -0.064) 10.277 3.903 ( -1.954 6.210 1.526) 6.687 4.041 ( -0.327 4.641 -3.696) 5.942 8.122 ( -10.671 -14.948 -5.423) 19.150 9.219 ( -2.416 7.095 0.211) 7.498 9.640 ( 13.256 1.390 0.315) 13.333 10.823 ( -11.356 -0.377 8.289) 14.065 15.456 ( -3.875 11.139 0.505) 11.805 17.276 ( 6.117 8.803 -3.855) 11.392 ======================= Grid point 64 (45/429) ======================= q-point: ( 0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -3.075 -10.167 -0.364) 10.628 1.174 ( 10.303 -1.889 1.362) 10.562 1.323 ( 2.559 -4.311 3.509) 6.119 1.605 ( -4.795 -7.267 -1.557) 8.845 1.912 ( 0.360 6.572 -0.047) 6.582 2.093 ( 10.081 -0.166 -2.425) 10.370 2.414 ( -0.150 -9.677 3.868) 10.422 2.545 ( -7.032 -5.508 -5.697) 10.594 2.878 ( 3.965 -0.965 1.981) 4.536 3.069 ( 2.135 1.110 5.712) 6.199 3.290 ( 0.803 -3.602 -4.053) 5.482 3.473 ( -0.511 -3.883 -2.214) 4.499 3.590 ( -5.057 5.953 -4.087) 8.816 3.833 ( -0.138 2.252 0.003) 2.256 3.962 ( -0.304 2.901 -1.427) 3.248 8.273 ( -4.119 -8.709 -5.453) 11.070 9.036 ( -8.547 8.841 -0.051) 12.297 9.676 ( 10.054 1.692 -1.055) 10.250 10.792 ( -6.500 1.422 5.923) 8.909 15.228 ( -3.387 10.329 -0.926) 10.910 17.132 ( 5.066 9.311 -1.706) 10.736 ======================= Grid point 65 (46/429) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -1.562 -8.370 -0.124) 8.515 1.234 ( 9.083 1.134 0.058) 9.154 1.435 ( 4.133 -4.231 1.782) 6.177 1.694 ( -12.253 -1.140 -2.505) 12.558 1.737 ( -1.244 0.103 0.019) 1.248 2.200 ( 11.627 -1.763 -1.803) 11.898 2.424 ( -6.515 0.731 0.421) 6.570 2.741 ( 0.675 -11.317 -0.858) 11.369 2.937 ( 3.435 -1.265 3.734) 5.229 3.046 ( -0.749 2.329 1.249) 2.747 3.339 ( 0.725 -3.193 -4.006) 5.174 3.422 ( -1.717 0.742 -1.943) 2.697 3.610 ( -1.455 -5.200 -1.487) 5.601 3.814 ( -0.746 -0.527 -0.876) 1.266 3.918 ( 0.439 1.528 -0.438) 1.649 8.357 ( 3.320 -2.949 -3.685) 5.770 8.812 ( -12.179 8.088 -0.168) 14.621 9.710 ( 6.062 -1.263 -1.715) 6.426 10.725 ( -2.788 5.120 3.566) 6.834 15.054 ( -2.212 5.757 -1.055) 6.257 16.981 ( 3.020 9.283 -0.700) 9.787 ======================= Grid point 66 (47/429) ======================= q-point: ( 0.64 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 0.390 -6.240 0.429) 6.266 1.256 ( 3.316 0.713 -1.017) 3.541 1.499 ( 0.652 -1.099 -0.575) 1.402 1.661 ( -5.484 -6.728 0.945) 8.731 1.807 ( -0.887 -3.466 -0.756) 3.657 2.267 ( 8.137 -0.439 -1.465) 8.280 2.366 ( -6.136 1.808 0.533) 6.418 2.827 ( 5.219 7.272 -0.040) 8.951 2.903 ( -5.057 -0.780 1.232) 5.262 3.152 ( 1.119 -10.783 -0.491) 10.853 3.414 ( 0.735 -6.550 -1.008) 6.668 3.442 ( -0.466 -2.564 0.117) 2.609 3.682 ( -0.588 -3.537 -0.540) 3.626 3.830 ( 0.368 -1.598 -0.458) 1.703 3.904 ( -0.389 0.133 -0.534) 0.674 8.404 ( 9.275 0.491 -1.402) 9.393 8.608 ( -13.370 5.432 -0.226) 14.433 9.794 ( 2.628 -5.762 -1.189) 6.443 10.603 ( -0.800 7.727 1.517) 7.916 14.990 ( -0.757 0.026 -0.390) 0.852 16.824 ( 1.019 8.713 -0.299) 8.778 ======================= Grid point 67 (48/429) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -0.000 -4.262 0.000) 4.262 1.248 ( -0.000 -0.010 0.000) 0.010 1.526 ( -0.000 -0.418 0.000) 0.418 1.793 ( -0.000 -7.378 0.000) 7.378 1.849 ( -0.000 -2.391 0.000) 2.391 2.273 ( 0.000 3.988 -0.000) 3.988 2.349 ( -0.000 -4.565 0.000) 4.565 2.661 ( 0.000 9.903 -0.000) 9.903 2.887 ( 0.000 2.553 -0.000) 2.553 3.353 ( -0.000 -9.931 0.000) 9.931 3.486 ( -0.000 -2.064 0.000) 2.064 3.583 ( -0.000 -11.186 0.000) 11.186 3.725 ( -0.000 -1.408 0.000) 1.408 3.871 ( -0.000 -2.070 0.000) 2.070 3.890 ( 0.000 0.995 -0.000) 0.995 8.447 ( 0.000 0.352 -0.000) 0.352 8.459 ( 0.000 3.241 -0.000) 3.241 9.943 ( -0.000 -9.672 0.000) 9.672 10.464 ( 0.000 6.788 -0.000) 6.788 15.031 ( -0.000 -4.342 0.000) 4.342 16.676 ( 0.000 7.540 -0.000) 7.540 ======================= Grid point 76 (49/429) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.378 ( -3.203 0.000 1.281) 3.450 0.684 ( 3.334 -0.000 1.938) 3.856 1.159 ( 4.006 -0.000 5.137) 6.514 1.470 ( -1.699 0.000 0.529) 1.779 1.747 ( 17.517 -0.000 1.817) 17.611 1.773 ( 2.426 -0.000 0.335) 2.449 2.428 ( 1.709 -0.000 -5.142) 5.419 2.614 ( -3.113 0.000 -8.345) 8.907 2.898 ( -0.072 0.000 5.303) 5.303 2.913 ( 3.295 -0.000 3.250) 4.628 3.088 ( 2.219 -0.000 -1.577) 2.722 3.232 ( -2.254 0.000 -1.135) 2.524 3.949 ( 2.909 -0.000 1.600) 3.320 4.071 ( -5.437 0.000 3.796) 6.631 4.292 ( -2.054 0.000 -0.696) 2.169 7.677 ( -10.414 0.000 -0.653) 10.435 9.419 ( 6.431 -0.000 0.830) 6.485 9.625 ( 16.013 -0.000 1.375) 16.072 10.799 ( -16.949 0.000 9.318) 19.341 15.706 ( -3.690 0.000 2.358) 4.379 17.468 ( 3.601 -0.000 -6.748) 7.649 ======================= Grid point 77 (50/429) ======================= q-point: ( 0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.397 ( -2.550 -4.889 0.878) 5.584 0.841 ( 3.331 -12.050 1.246) 12.564 1.201 ( 2.602 -0.242 4.634) 5.320 1.511 ( -0.786 -2.823 1.038) 3.109 1.790 ( 9.781 -3.131 0.493) 10.282 1.947 ( 8.280 -8.248 1.375) 11.768 2.372 ( 2.187 4.914 -3.766) 6.566 2.532 ( -8.553 1.663 -6.671) 10.973 2.886 ( 3.243 1.591 4.275) 5.597 3.020 ( 0.812 -4.168 4.467) 6.164 3.115 ( 1.895 -3.161 -3.260) 4.920 3.255 ( -1.604 -4.113 -1.129) 4.556 3.940 ( 2.212 3.347 0.793) 4.090 4.017 ( -5.232 4.461 3.922) 7.916 4.160 ( -0.601 10.448 -2.974) 10.879 7.758 ( -8.974 -13.626 -2.025) 16.441 9.378 ( 3.881 7.544 0.882) 8.530 9.736 ( 14.069 -0.133 0.834) 14.094 10.751 ( -14.375 -1.870 6.966) 16.084 15.619 ( -3.256 7.657 1.256) 8.415 17.417 ( 3.589 4.895 -4.419) 7.508 ======================= Grid point 78 (51/429) ======================= q-point: ( 0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( -1.823 -9.636 0.328) 9.812 1.110 ( 5.754 -12.325 1.078) 13.645 1.252 ( -0.214 -3.351 2.668) 4.289 1.526 ( -1.032 0.279 0.237) 1.095 1.975 ( 12.478 -6.168 1.271) 13.977 2.158 ( 2.011 -5.882 2.163) 6.582 2.247 ( 1.875 3.379 -3.130) 4.973 2.428 ( -11.542 -0.253 -4.456) 12.375 2.902 ( 2.996 0.409 2.507) 3.928 3.094 ( 1.678 -1.684 4.014) 4.665 3.193 ( 0.036 -5.227 -3.851) 6.492 3.348 ( -0.660 -6.736 -0.811) 6.816 3.781 ( -1.681 14.890 -0.191) 14.986 3.902 ( -0.585 4.680 1.241) 4.877 4.011 ( -0.389 3.807 -2.326) 4.478 7.982 ( -6.208 -15.532 -3.226) 17.035 9.213 ( -0.023 11.607 0.766) 11.632 9.779 ( 8.883 2.958 -0.095) 9.363 10.754 ( -8.014 -2.845 4.570) 9.655 15.418 ( -2.415 11.727 0.004) 11.973 17.308 ( 3.143 7.587 -2.003) 8.453 ======================= Grid point 79 (52/429) ======================= q-point: ( 0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -1.053 -10.068 -0.117) 10.123 1.281 ( 4.462 -2.087 0.838) 4.997 1.392 ( 5.115 -7.969 2.474) 9.787 1.521 ( -6.232 -3.566 -1.862) 7.418 1.901 ( -0.915 14.541 -0.160) 14.571 2.217 ( 11.820 -4.287 -0.671) 12.591 2.363 ( -10.708 -1.287 -0.306) 10.789 2.473 ( -0.008 -15.695 -0.491) 15.703 2.926 ( 1.747 -1.034 0.805) 2.185 3.129 ( 1.289 1.549 2.999) 3.613 3.264 ( -0.054 -4.054 -2.642) 4.839 3.454 ( -0.305 -1.772 -0.983) 2.049 3.529 ( -1.661 5.448 -1.162) 5.813 3.832 ( -0.122 2.820 0.022) 2.822 3.953 ( -0.059 2.255 -0.492) 2.309 8.201 ( -1.892 -11.796 -2.307) 12.168 8.976 ( -2.413 13.084 0.390) 13.311 9.756 ( 3.874 2.846 -0.485) 4.831 10.768 ( -2.630 0.004 2.183) 3.418 15.193 ( -1.258 10.562 -0.413) 10.645 17.164 ( 1.708 9.057 -0.585) 9.235 ======================= Grid point 80 (53/429) ======================= q-point: ( 0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -0.000 -8.881 0.000) 8.881 1.300 ( 0.000 1.548 -0.000) 1.548 1.524 ( -0.000 -4.773 0.000) 4.773 1.541 ( 0.000 2.237 -0.000) 2.237 1.731 ( -0.000 -1.187 0.000) 1.187 2.293 ( 0.000 0.579 -0.000) 0.579 2.355 ( -0.000 -1.676 0.000) 1.676 2.741 ( -0.000 -12.246 0.000) 12.246 2.991 ( -0.000 -5.836 0.000) 5.836 3.031 ( 0.000 9.257 -0.000) 9.257 3.326 ( -0.000 -3.577 0.000) 3.577 3.406 ( -0.000 -0.357 0.000) 0.357 3.595 ( -0.000 -5.403 0.000) 5.403 3.807 ( -0.000 -0.199 0.000) 0.199 3.919 ( 0.000 1.342 -0.000) 1.342 8.364 ( -0.000 -6.597 0.000) 6.597 8.735 ( 0.000 11.477 -0.000) 11.477 9.742 ( -0.000 -0.660 0.000) 0.660 10.722 ( 0.000 4.713 -0.000) 4.713 15.036 ( 0.000 5.608 -0.000) 5.608 16.996 ( 0.000 9.454 -0.000) 9.454 ======================= Grid point 92 (54/429) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.356 ( -1.284 0.000 0.693) 1.459 0.724 ( 1.591 -0.000 0.866) 1.812 1.256 ( 3.689 -0.000 5.151) 6.335 1.457 ( -0.908 0.000 0.251) 0.942 1.798 ( 1.280 -0.000 0.187) 1.294 1.948 ( 14.088 -0.000 0.472) 14.096 2.383 ( -3.681 0.000 -4.100) 5.510 2.501 ( -4.679 0.000 -4.030) 6.175 2.959 ( 2.254 -0.000 4.288) 4.844 2.972 ( 2.459 -0.000 2.249) 3.333 3.094 ( 1.019 -0.000 -1.658) 1.946 3.200 ( -1.656 0.000 -0.915) 1.892 3.983 ( 1.968 -0.000 0.036) 1.968 4.037 ( -3.884 0.000 1.834) 4.296 4.270 ( -0.967 0.000 -0.264) 1.002 7.575 ( -5.615 0.000 -0.456) 5.634 9.484 ( 3.289 -0.000 0.489) 3.326 9.823 ( 13.942 -0.000 0.935) 13.973 10.663 ( -13.979 0.000 4.914) 14.818 15.681 ( -2.430 0.000 1.083) 2.660 17.462 ( 2.152 -0.000 -3.416) 4.038 ======================= Grid point 93 (55/429) ======================= q-point: ( 0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( -0.518 -4.649 0.551) 4.711 0.873 ( 1.076 -12.999 0.329) 13.048 1.255 ( 1.124 1.681 2.076) 2.898 1.512 ( -0.138 -3.003 0.550) 3.056 1.865 ( 2.442 -7.536 0.566) 7.941 2.071 ( 8.906 -4.940 0.377) 10.192 2.340 ( -4.539 0.158 -2.234) 5.062 2.402 ( -3.532 7.066 -2.006) 8.150 2.944 ( 1.642 1.620 1.737) 2.887 3.062 ( 0.820 -4.409 2.818) 5.296 3.106 ( 0.445 -1.775 -2.380) 3.003 3.233 ( -0.714 -4.592 -0.521) 4.677 3.966 ( 2.051 3.589 -0.550) 4.170 3.990 ( -3.209 3.761 1.925) 5.305 4.139 ( -0.229 11.355 -1.008) 11.402 7.673 ( -3.134 -12.410 -0.735) 12.821 9.417 ( 1.464 8.462 0.387) 8.596 9.877 ( 6.984 2.153 0.244) 7.313 10.650 ( -7.040 -4.038 2.486) 8.488 15.597 ( -1.289 7.909 0.354) 8.021 17.423 ( 1.293 4.117 -1.487) 4.565 ======================= Grid point 94 (56/429) ======================= q-point: ( 0.57 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( -0.000 -9.253 0.000) 9.253 1.153 ( -0.000 -15.707 0.000) 15.707 1.259 ( -0.000 -1.382 0.000) 1.382 1.521 ( 0.000 1.461 -0.000) 1.461 2.090 ( -0.000 -13.128 0.000) 13.128 2.184 ( 0.000 14.194 -0.000) 14.194 2.231 ( -0.000 -9.493 0.000) 9.493 2.314 ( 0.000 0.283 -0.000) 0.283 2.932 ( 0.000 0.636 -0.000) 0.636 3.128 ( -0.000 -1.636 0.000) 1.636 3.169 ( -0.000 -5.373 0.000) 5.373 3.340 ( -0.000 -6.823 0.000) 6.823 3.770 ( 0.000 16.171 -0.000) 16.171 3.904 ( 0.000 4.601 -0.000) 4.601 3.999 ( 0.000 3.355 -0.000) 3.355 7.930 ( -0.000 -15.461 0.000) 15.461 9.218 ( 0.000 12.924 -0.000) 12.924 9.835 ( 0.000 3.989 -0.000) 3.989 10.721 ( -0.000 -4.176 0.000) 4.176 15.403 ( 0.000 11.909 -0.000) 11.909 17.319 ( 0.000 7.206 -0.000) 7.206 ======================= Grid point 109 (57/429) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( 0.000 -0.000 0.000) 0.000 0.737 ( 0.000 -0.000 0.000) 0.000 1.303 ( 0.000 -0.000 0.000) 0.000 1.452 ( 0.000 -0.000 0.000) 0.000 1.806 ( 0.000 -0.000 0.000) 0.000 2.056 ( 0.000 -0.000 0.000) 0.000 2.316 ( 0.000 -0.000 0.000) 0.000 2.461 ( 0.000 -0.000 -0.000) 0.000 2.995 ( 0.000 -0.000 0.000) 0.000 2.998 ( 0.000 -0.000 0.000) 0.000 3.091 ( 0.000 -0.000 0.000) 0.000 3.184 ( 0.000 -0.000 0.000) 0.000 4.000 ( 0.000 -0.000 -0.000) 0.000 4.014 ( -0.000 0.000 0.000) 0.000 4.263 ( 0.000 -0.000 0.000) 0.000 7.539 ( 0.000 -0.000 0.000) 0.000 9.505 ( 0.000 -0.000 0.000) 0.000 9.924 ( 0.000 -0.000 0.000) 0.000 10.587 ( 0.000 -0.000 0.000) 0.000 15.670 ( 0.000 -0.000 0.000) 0.000 17.462 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 203 (58/429) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.222 ( 0.675 -0.000 10.939) 10.960 0.271 ( -1.255 0.000 13.260) 13.319 0.404 ( -2.443 0.000 20.477) 20.622 1.560 ( 3.258 -0.000 -0.844) 3.365 1.609 ( -2.643 0.000 1.204) 2.904 1.666 ( 0.553 -0.000 -3.011) 3.061 1.785 ( 20.589 -0.000 2.313) 20.719 2.382 ( -4.904 0.000 -2.888) 5.692 2.640 ( -1.130 0.000 1.954) 2.257 2.758 ( -0.391 0.000 2.441) 2.472 3.308 ( -0.220 0.000 -0.536) 0.579 3.344 ( 0.386 -0.000 -1.668) 1.712 3.783 ( 2.348 -0.000 0.039) 2.348 4.075 ( -0.107 0.000 0.273) 0.293 4.846 ( -7.317 0.000 -0.331) 7.325 8.527 ( 1.583 -0.000 -0.103) 1.586 8.752 ( -1.359 0.000 0.677) 1.518 9.215 ( -1.216 0.000 0.127) 1.222 12.349 ( -55.293 0.000 -1.605) 55.316 15.732 ( 1.261 -0.000 3.359) 3.588 16.588 ( 44.889 -0.000 0.096) 44.889 ======================= Grid point 204 (59/429) ======================= q-point: ( 0.07 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( 4.984 -8.760 7.404) 12.506 0.455 ( 1.374 -7.633 11.111) 13.550 0.656 ( 4.518 -17.828 9.461) 20.683 1.532 ( -6.239 1.111 -1.376) 6.485 1.690 ( -0.003 -7.028 -0.636) 7.057 1.724 ( -5.848 -8.512 -0.277) 10.331 1.863 ( 17.380 3.720 -0.710) 17.788 2.335 ( 4.995 2.261 -2.308) 5.949 2.611 ( 0.570 1.063 1.027) 1.585 3.032 ( 0.993 -14.005 -5.871) 15.218 3.300 ( -2.777 -0.787 -1.064) 3.076 3.360 ( 0.120 -2.091 -1.720) 2.711 3.785 ( 1.567 1.039 0.684) 2.001 4.070 ( 1.278 1.095 -0.461) 1.745 4.568 ( -9.219 13.456 4.863) 17.021 8.704 ( -7.344 -0.234 -1.405) 7.481 9.038 ( 4.864 -8.853 -10.894) 14.856 9.429 ( 0.430 -35.765 -21.902) 41.941 11.789 ( -43.081 18.724 22.554) 52.108 15.722 ( -2.121 2.465 3.767) 4.976 16.680 ( 34.206 12.601 -1.843) 36.500 ======================= Grid point 205 (60/429) ======================= q-point: ( 0.14 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 5.288 -8.919 4.425) 11.274 0.646 ( 0.536 -9.439 6.941) 11.728 1.053 ( 7.661 -16.989 1.618) 18.706 1.471 ( -10.184 -1.110 -1.001) 10.293 1.735 ( -1.172 -1.191 0.180) 1.681 1.919 ( 7.116 -2.587 -0.946) 7.631 1.970 ( 0.558 -15.303 3.152) 15.634 2.320 ( 8.218 2.347 -3.786) 9.348 2.614 ( 2.632 0.088 1.365) 2.966 3.168 ( 0.326 -3.838 -3.115) 4.953 3.302 ( -4.135 -1.685 0.060) 4.466 3.408 ( 0.680 -3.838 -2.722) 4.755 3.772 ( 2.453 1.821 0.377) 3.078 4.038 ( 0.534 2.509 -2.503) 3.584 4.343 ( -8.517 6.396 -3.373) 11.173 8.637 ( -5.881 2.548 -0.754) 6.453 9.047 ( 7.176 3.932 -1.270) 8.281 9.878 ( -5.819 -22.439 -27.555) 36.009 11.389 ( -23.784 13.753 21.053) 34.613 15.643 ( -5.213 5.125 2.954) 7.885 16.631 ( 22.034 9.633 -1.076) 24.072 ======================= Grid point 206 (61/429) ======================= q-point: ( 0.21 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 2.500 -7.678 2.042) 8.329 0.859 ( 0.428 -10.003 3.123) 10.488 1.310 ( 3.958 -5.015 -3.118) 7.108 1.499 ( -3.612 -8.780 0.838) 9.530 1.748 ( 0.718 -0.735 0.267) 1.062 2.022 ( 0.988 -5.555 -0.834) 5.704 2.209 ( 7.552 -2.866 0.378) 8.086 2.377 ( 3.522 -9.188 0.130) 9.841 2.652 ( 4.345 -1.278 1.643) 4.818 3.200 ( -1.834 -2.046 -2.271) 3.565 3.309 ( -3.411 -1.730 0.282) 3.835 3.472 ( 1.930 -3.278 -3.864) 5.423 3.758 ( 3.203 1.176 -0.596) 3.464 3.962 ( -2.360 3.314 -5.068) 6.499 4.188 ( -7.712 3.126 -7.209) 11.009 8.536 ( -5.700 4.272 -0.487) 7.140 9.009 ( 11.094 5.847 0.685) 12.559 10.002 ( -11.264 -9.074 -21.768) 26.135 11.125 ( -13.489 11.588 15.652) 23.691 15.502 ( -7.309 6.661 0.910) 9.931 16.594 ( 16.391 6.414 -1.270) 17.647 ======================= Grid point 207 (62/429) ======================= q-point: ( 0.29 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -1.137 -6.042 0.217) 6.152 1.030 ( 0.222 -8.269 0.253) 8.276 1.354 ( 0.414 -2.491 -2.055) 3.255 1.668 ( 4.450 -6.644 -0.800) 8.037 1.797 ( 0.404 -4.941 -0.341) 4.969 2.090 ( -0.648 -1.633 -2.049) 2.699 2.253 ( 8.703 0.344 -0.095) 8.710 2.600 ( 0.914 -8.493 2.770) 8.980 2.731 ( 5.577 -4.179 1.492) 7.127 3.212 ( -5.429 -2.292 -0.652) 5.929 3.340 ( -0.661 -3.770 -2.512) 4.578 3.512 ( 1.718 -1.787 -5.194) 5.755 3.766 ( 3.458 0.098 -2.892) 4.509 3.871 ( -4.470 0.729 -4.043) 6.071 4.064 ( -5.940 3.188 -6.673) 9.485 8.413 ( -5.320 5.078 -0.519) 7.373 8.974 ( 12.912 6.113 0.986) 14.320 9.962 ( -13.666 -4.422 -16.162) 21.623 10.900 ( -7.498 12.173 10.564) 17.777 15.332 ( -7.655 6.513 -1.060) 10.106 16.581 ( 12.341 3.915 -1.069) 12.991 ======================= Grid point 208 (63/429) ======================= q-point: ( 0.36 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -3.186 -1.720 -0.653) 3.679 1.193 ( 1.111 -9.128 -1.159) 9.268 1.411 ( 1.641 -3.291 -0.620) 3.730 1.795 ( 6.062 -4.951 -1.139) 7.910 1.916 ( -1.474 -7.520 -0.707) 7.696 2.077 ( -0.652 0.834 -2.137) 2.385 2.304 ( 5.504 -0.547 1.031) 5.627 2.670 ( 0.587 0.507 0.139) 0.788 2.886 ( 6.400 -5.597 2.839) 8.964 3.218 ( -6.854 -2.828 -0.789) 7.456 3.413 ( 0.659 -5.191 -4.438) 6.862 3.520 ( -0.163 -1.228 -5.047) 5.197 3.743 ( -0.534 0.333 -4.691) 4.733 3.882 ( -1.299 -0.478 -0.747) 1.573 3.957 ( -2.766 0.578 -3.341) 4.375 8.290 ( -4.398 4.568 -0.548) 6.364 8.952 ( 11.632 4.601 0.539) 12.520 9.908 ( -13.011 -4.948 -10.795) 17.616 10.670 ( -3.120 12.850 6.607) 14.782 15.178 ( -6.046 4.719 -1.734) 7.863 16.586 ( 8.338 2.043 -0.867) 8.628 ======================= Grid point 209 (64/429) ======================= q-point: ( 0.43 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -1.376 0.034 -0.784) 1.584 1.348 ( 0.950 -6.716 -1.286) 6.904 1.474 ( 0.798 -2.455 0.447) 2.620 1.911 ( 7.356 -3.216 -0.959) 8.085 2.015 ( -3.713 -3.350 -3.142) 5.906 2.055 ( -3.655 -1.782 1.237) 4.250 2.361 ( 4.960 -2.430 0.910) 5.598 2.624 ( -0.870 3.525 -1.357) 3.876 2.980 ( 4.049 0.458 0.522) 4.108 3.238 ( -3.514 -3.647 -0.694) 5.112 3.490 ( 1.224 -4.485 -4.662) 6.584 3.541 ( 0.644 -2.697 -1.890) 3.356 3.741 ( -1.056 -2.093 -1.465) 2.764 3.795 ( -1.788 4.470 -0.521) 4.842 4.013 ( -0.342 -3.991 -0.041) 4.006 8.200 ( -2.753 2.408 -0.176) 3.662 8.949 ( 6.762 2.035 0.073) 7.062 9.904 ( -9.558 -5.529 -6.707) 12.919 10.469 ( 0.749 9.643 4.597) 10.709 15.084 ( -2.839 1.809 -0.992) 3.509 16.595 ( 4.056 0.743 -0.890) 4.219 ======================= Grid point 210 (65/429) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 1.326 0.414 -0.774) 1.590 1.413 ( -0.266 -0.241 -1.245) 1.296 1.508 ( -0.857 -0.831 1.160) 1.664 1.964 ( -1.605 1.209 -4.057) 4.527 1.989 ( 1.011 -0.786 -0.027) 1.281 2.107 ( 0.508 -2.460 2.229) 3.358 2.414 ( -0.180 2.072 -0.294) 2.100 2.574 ( -0.890 -2.168 -0.582) 2.415 2.934 ( -1.320 3.397 -4.101) 5.486 3.290 ( 2.885 -0.764 1.851) 3.511 3.528 ( 2.567 -0.196 -2.833) 3.828 3.641 ( 4.037 -7.173 -0.347) 8.239 3.726 ( 0.136 2.837 1.452) 3.190 3.797 ( -2.024 -4.449 2.415) 5.452 4.049 ( -1.948 -0.466 -0.057) 2.003 8.175 ( -0.728 -0.795 0.409) 1.153 8.952 ( -1.189 -0.332 -0.083) 1.238 9.928 ( -1.008 -2.978 -5.058) 5.956 10.394 ( 1.829 1.090 4.849) 5.296 15.073 ( 0.978 -1.271 0.355) 1.643 16.598 ( -0.378 -0.264 -1.006) 1.106 ======================= Grid point 211 (66/429) ======================= q-point: (-0.43 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 3.891 0.963 -0.986) 4.128 1.346 ( -1.034 6.055 -1.179) 6.255 1.503 ( -3.016 0.657 1.537) 3.448 1.895 ( -3.888 2.472 -2.292) 5.146 1.989 ( 2.446 2.593 -0.759) 3.644 2.163 ( 3.288 -1.112 1.912) 3.963 2.312 ( -6.608 3.607 -0.608) 7.552 2.649 ( -0.399 -3.702 0.823) 3.813 2.840 ( -3.339 2.787 -5.283) 6.843 3.290 ( 6.738 4.669 2.092) 8.460 3.528 ( 1.112 0.489 -1.979) 2.323 3.683 ( 0.678 2.631 0.356) 2.740 3.820 ( 5.507 -6.702 3.093) 9.209 3.886 ( -0.084 -4.354 2.372) 4.959 4.020 ( -2.460 0.862 0.910) 2.761 8.220 ( 1.152 -3.612 0.678) 3.851 8.942 ( -9.039 -2.082 -0.231) 9.279 9.976 ( 9.850 -1.984 -4.758) 11.117 10.473 ( 0.804 -5.530 5.758) 8.024 15.137 ( 4.222 -3.432 1.237) 5.579 16.594 ( -4.766 -1.453 -0.973) 5.077 ======================= Grid point 212 (67/429) ======================= q-point: (-0.36 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 5.168 3.230 -1.461) 6.267 1.193 ( -1.283 8.786 -0.878) 8.923 1.469 ( -3.251 1.350 1.884) 3.992 1.805 ( -3.508 4.126 -1.315) 5.573 1.917 ( 1.199 5.875 -0.410) 6.011 2.181 ( 3.006 2.196 -1.128) 3.890 2.246 ( -8.883 -1.640 1.740) 9.199 2.671 ( -1.561 1.485 1.513) 2.633 2.751 ( -4.637 2.487 -3.989) 6.603 3.238 ( 9.337 6.282 1.306) 11.329 3.498 ( -0.066 2.445 -1.092) 2.679 3.634 ( 0.122 2.804 -0.926) 2.955 3.844 ( -4.811 2.507 -0.235) 5.430 3.997 ( 3.381 -3.226 4.666) 6.604 4.091 ( 5.937 -6.306 0.940) 8.712 8.318 ( 2.693 -5.253 0.615) 5.935 8.926 ( -13.031 -3.855 -0.561) 13.601 10.083 ( 17.149 -2.741 -5.892) 18.339 10.625 ( 0.801 -7.209 7.201) 10.221 15.246 ( 6.283 -4.143 1.098) 7.605 16.590 ( -9.093 -3.061 -0.763) 9.624 ======================= Grid point 213 (68/429) ======================= q-point: (-0.29 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 3.308 7.142 -1.439) 8.001 1.008 ( -1.366 10.258 -0.379) 10.356 1.445 ( -2.058 0.201 2.287) 3.084 1.678 ( -3.715 7.499 -1.229) 8.459 1.809 ( -0.172 5.297 0.196) 5.303 2.112 ( 2.386 5.724 -2.778) 6.795 2.246 ( -8.110 -1.962 1.596) 8.495 2.578 ( -4.066 7.633 1.847) 8.844 2.667 ( -4.473 1.868 -1.350) 5.032 3.203 ( 9.178 3.558 -0.231) 9.846 3.431 ( -0.647 4.168 0.182) 4.222 3.574 ( -0.359 3.049 -2.091) 3.715 3.773 ( -4.004 1.404 -0.622) 4.289 4.064 ( 0.107 -1.530 2.457) 2.897 4.247 ( 8.956 -4.697 -0.208) 10.115 8.444 ( 3.699 -5.831 0.638) 6.935 8.932 ( -12.806 -5.840 -0.780) 14.096 10.210 ( 21.615 -1.078 -10.233) 23.939 10.798 ( 1.354 -7.031 11.050) 13.167 15.365 ( 7.429 -3.829 0.338) 8.365 16.590 ( -13.630 -4.726 -0.748) 14.445 ======================= Grid point 214 (69/429) ======================= q-point: (-0.21 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -0.815 9.878 -0.289) 9.916 0.795 ( -1.635 11.993 0.718) 12.125 1.378 ( -9.828 9.228 -0.516) 13.492 1.536 ( 7.178 3.923 2.816) 8.651 1.730 ( -2.306 2.735 -0.721) 3.650 1.989 ( 2.896 7.814 -2.779) 8.785 2.189 ( -4.636 6.170 1.360) 7.837 2.415 ( -8.521 3.971 0.383) 9.409 2.621 ( -3.885 0.178 0.474) 3.918 3.209 ( 6.136 0.966 -1.739) 6.451 3.355 ( -0.302 3.581 1.547) 3.912 3.504 ( -0.147 3.304 -2.196) 3.970 3.741 ( -1.883 0.043 -0.810) 2.050 4.081 ( -1.329 -0.443 0.034) 1.402 4.362 ( 8.137 -2.619 -1.298) 8.646 8.573 ( 3.295 -5.392 0.892) 6.382 8.983 ( -9.498 -7.330 -0.942) 12.034 10.268 ( 25.025 4.811 -18.707) 31.613 11.001 ( 2.620 -7.908 18.957) 20.707 15.478 ( 8.193 -3.254 -0.082) 8.816 16.587 ( -18.643 -5.695 -1.518) 19.552 ======================= Grid point 215 (70/429) ======================= q-point: (-0.14 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( -5.654 10.799 1.723) 12.311 0.564 ( -0.998 12.695 3.630) 13.241 1.038 ( -8.453 19.638 1.333) 21.421 1.584 ( 6.967 -0.685 4.079) 8.102 1.669 ( -3.609 1.130 -2.906) 4.769 1.847 ( 4.450 9.075 -2.063) 10.316 1.992 ( -4.106 10.718 1.700) 11.603 2.354 ( -9.091 -2.279 -2.063) 9.596 2.613 ( -3.309 -1.091 0.829) 3.581 3.199 ( 1.659 2.125 -3.299) 4.260 3.323 ( 1.978 1.382 1.582) 2.885 3.435 ( 0.156 3.382 -1.932) 3.898 3.737 ( 0.512 -0.404 -0.760) 1.001 4.074 ( -1.456 -0.204 -0.914) 1.731 4.443 ( 5.169 -2.840 -0.248) 5.903 8.679 ( 1.307 -3.908 1.066) 4.256 9.069 ( -5.020 -6.883 -2.201) 8.799 10.137 ( 27.953 17.636 -32.131) 46.095 11.316 ( 5.297 -14.579 31.548) 35.155 15.583 ( 8.583 -2.589 0.504) 8.979 16.553 ( -23.344 -5.115 -3.233) 24.116 ======================= Grid point 216 (71/429) ======================= q-point: (-0.07 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.307 ( -5.926 9.496 5.905) 12.655 0.370 ( -1.488 9.788 10.237) 14.242 0.612 ( -8.204 21.458 7.638) 24.210 1.598 ( -3.635 1.745 -2.545) 4.768 1.667 ( 9.406 0.075 1.897) 9.595 1.698 ( 1.769 7.688 -0.379) 7.899 1.804 ( -4.601 7.142 -1.513) 8.629 2.355 ( -6.535 -3.961 -1.907) 7.876 2.618 ( -2.496 -1.017 0.473) 2.736 3.080 ( 0.690 12.329 -8.881) 15.211 3.316 ( 1.833 1.218 -0.643) 2.293 3.369 ( 0.454 2.477 -1.861) 3.132 3.756 ( 2.905 -0.716 -0.076) 2.993 4.072 ( -0.743 -0.464 -0.183) 0.894 4.583 ( 0.286 -11.927 7.040) 13.853 8.737 ( 0.456 -1.422 0.626) 1.619 9.115 ( -1.016 1.036 -10.330) 10.432 9.573 ( 21.512 46.573 -40.252) 65.207 11.931 ( 1.795 -35.379 34.027) 49.119 15.677 ( 7.669 -1.519 2.143) 8.106 16.470 ( -16.516 -1.546 -1.415) 16.648 ======================= Grid point 218 (72/429) ======================= q-point: ( 0.07 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.360 ( 3.250 -0.000 12.709) 13.118 0.384 ( 3.184 -0.000 10.685) 11.149 0.625 ( 13.737 -0.000 13.674) 19.382 1.534 ( -11.887 0.000 -4.396) 12.673 1.575 ( -1.574 0.000 0.328) 1.608 1.608 ( 2.466 -0.000 0.439) 2.505 2.071 ( 24.916 -0.000 -11.128) 27.288 2.386 ( 6.418 -0.000 -2.851) 7.023 2.669 ( 3.538 -0.000 1.734) 3.941 2.779 ( 0.098 -0.000 3.294) 3.295 3.275 ( -4.134 0.000 -0.306) 4.145 3.328 ( -0.311 0.000 -2.210) 2.232 3.804 ( 0.230 -0.000 2.814) 2.823 4.094 ( 3.140 -0.000 -0.708) 3.219 4.709 ( -15.859 0.000 5.872) 16.911 8.412 ( -15.342 0.000 0.183) 15.343 8.863 ( 13.713 -0.000 0.583) 13.725 9.209 ( 0.541 -0.000 -0.028) 0.542 11.751 ( -48.756 0.000 23.310) 54.042 15.760 ( -0.360 0.000 4.049) 4.065 17.045 ( 35.544 -0.000 -18.459) 40.052 ======================= Grid point 219 (73/429) ======================= q-point: ( 0.14 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 2.253 -7.067 11.115) 13.363 0.559 ( 2.769 -7.751 7.579) 11.189 0.849 ( 14.950 -10.607 5.279) 19.076 1.413 ( -10.222 1.774 -1.075) 10.430 1.637 ( -3.836 -5.561 -1.098) 6.844 1.730 ( 2.195 -10.787 1.726) 11.142 2.045 ( 14.469 7.627 -2.803) 16.595 2.398 ( 9.517 1.638 -5.838) 11.284 2.652 ( 4.066 1.464 2.045) 4.781 3.008 ( 1.151 -12.978 -3.273) 13.434 3.246 ( -5.078 -0.438 0.113) 5.098 3.341 ( -0.567 -2.341 -2.119) 3.208 3.815 ( 1.355 0.725 2.760) 3.159 4.088 ( 2.918 2.352 -2.091) 4.292 4.473 ( -12.360 13.301 4.963) 18.824 8.530 ( -15.119 -10.608 -5.231) 19.196 9.081 ( 10.590 -8.069 -3.494) 13.765 9.297 ( -2.333 -15.761 -6.819) 17.330 11.513 ( -31.780 7.781 22.625) 39.780 15.729 ( -1.863 4.537 3.894) 6.262 16.995 ( 24.907 13.735 -10.223) 30.224 ======================= Grid point 220 (74/429) ======================= q-point: ( 0.21 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 0.274 -9.232 7.725) 12.041 0.717 ( 5.128 -5.237 3.110) 7.962 1.173 ( 10.002 -12.575 -2.179) 16.215 1.361 ( -6.284 -2.694 2.580) 7.307 1.704 ( -2.670 -4.026 -0.648) 4.874 1.989 ( 4.280 -6.157 -0.023) 7.498 2.033 ( 4.856 -7.336 3.920) 9.632 2.398 ( 11.230 2.139 -6.932) 13.369 2.675 ( 4.938 -0.018 1.950) 5.309 3.146 ( -1.025 -3.106 -1.194) 3.482 3.249 ( -4.183 -2.900 -0.093) 5.091 3.392 ( 0.351 -4.357 -2.912) 5.253 3.810 ( 2.581 1.975 1.372) 3.527 4.015 ( 0.185 5.430 -5.032) 7.406 4.207 ( -10.133 7.960 -1.133) 12.936 8.535 ( -8.598 -0.841 -2.689) 9.048 9.158 ( 11.175 2.487 0.530) 11.461 9.577 ( -12.141 -18.577 -17.055) 27.989 11.286 ( -19.382 8.913 18.262) 28.082 15.606 ( -4.782 7.818 2.506) 9.501 16.860 ( 19.061 11.379 -4.679) 22.687 ======================= Grid point 221 (75/429) ======================= q-point: ( 0.29 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 4.835 -4.854 0.746) 6.892 0.881 ( -1.593 -8.031 3.434) 8.878 1.290 ( -1.794 -2.953 -1.503) 3.768 1.544 ( 8.264 -10.833 0.275) 13.628 1.745 ( -0.823 -2.016 -0.128) 2.181 2.025 ( 0.296 -1.731 -0.528) 1.834 2.308 ( 6.143 -7.298 2.732) 9.922 2.431 ( 7.644 -5.343 -3.676) 10.025 2.726 ( 5.258 -1.279 1.653) 5.658 3.156 ( -4.623 -0.798 1.602) 4.957 3.276 ( -1.178 -2.195 -1.407) 2.861 3.461 ( 1.858 -3.300 -4.556) 5.925 3.790 ( 3.094 1.967 -1.938) 4.147 3.868 ( -5.711 4.368 -6.040) 9.391 4.057 ( -5.867 3.113 -3.561) 7.536 8.460 ( -5.538 3.146 -1.626) 6.574 9.163 ( 12.812 5.154 0.994) 13.846 9.672 ( -16.555 -9.692 -15.847) 24.882 11.091 ( -11.822 9.384 13.371) 20.165 15.421 ( -6.888 8.484 0.274) 10.931 16.771 ( 15.114 8.135 -2.479) 17.342 ======================= Grid point 222 (76/429) ======================= q-point: ( 0.36 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 1.216 -2.201 -0.001) 2.514 1.026 ( -0.744 -8.652 -0.566) 8.702 1.347 ( 0.689 -4.007 -0.293) 4.076 1.751 ( 9.869 -5.029 -1.170) 11.138 1.792 ( -1.037 -4.929 0.187) 5.040 2.044 ( -4.229 -1.630 -1.813) 4.881 2.365 ( 9.718 1.942 -1.170) 9.979 2.633 ( 1.554 -7.261 1.757) 7.631 2.811 ( 5.623 -5.251 0.914) 7.748 3.146 ( -6.230 -0.838 2.410) 6.732 3.318 ( 0.736 -3.642 -3.363) 5.012 3.482 ( 0.796 -0.614 -6.197) 6.278 3.725 ( -2.974 1.186 -6.780) 7.498 3.835 ( 0.524 -2.521 0.398) 2.606 3.961 ( -4.087 2.903 -3.600) 6.172 8.351 ( -3.563 4.682 -1.401) 6.048 9.127 ( 10.002 6.676 0.645) 12.042 9.665 ( -14.431 -7.196 -12.289) 20.275 10.894 ( -6.882 10.943 9.110) 15.815 15.234 ( -7.021 6.648 -1.146) 9.737 16.715 ( 11.359 5.921 -1.458) 12.892 ======================= Grid point 223 (77/429) ======================= q-point: ( 0.43 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 0.317 -1.097 -0.408) 1.213 1.187 ( 0.009 -9.366 -2.040) 9.585 1.427 ( 1.630 -3.621 0.102) 3.972 1.867 ( 2.079 -5.777 1.007) 6.222 1.906 ( 4.993 -4.505 -1.544) 6.900 2.016 ( -6.203 0.166 -2.247) 6.600 2.385 ( 6.396 0.663 -0.354) 6.440 2.673 ( 0.733 2.025 -0.535) 2.219 2.984 ( 6.524 -5.477 1.495) 8.648 3.133 ( -6.607 -2.521 -0.033) 7.072 3.384 ( 0.797 -4.651 -4.621) 6.605 3.484 ( -0.619 -2.609 -2.115) 3.415 3.699 ( -0.455 -1.351 -3.728) 3.991 3.859 ( -1.315 3.804 -1.207) 4.202 3.922 ( -0.722 -4.855 -0.865) 4.984 8.247 ( -1.537 4.111 -1.035) 4.510 9.050 ( 2.455 5.629 -0.066) 6.142 9.694 ( -7.458 -7.810 -8.429) 13.699 10.685 ( -3.159 11.449 6.135) 13.368 15.099 ( -5.022 3.218 -1.110) 6.067 16.673 ( 7.271 4.391 -1.152) 8.572 ======================= Grid point 224 (78/429) ======================= q-point: ( 0.50 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 2.606 -0.385 -0.297) 2.651 1.328 ( -1.851 -6.586 -1.974) 7.121 1.494 ( 1.897 -2.190 0.644) 2.968 1.931 ( -5.500 0.261 -3.355) 6.448 1.993 ( 2.403 -2.214 -0.104) 3.269 2.015 ( 0.350 -5.757 0.998) 5.854 2.427 ( 4.578 -2.013 -0.124) 5.003 2.597 ( -1.053 5.401 -1.421) 5.683 2.981 ( -1.912 4.031 -2.709) 5.219 3.240 ( 2.776 -7.106 1.421) 7.760 3.474 ( 1.940 -5.676 -3.458) 6.923 3.552 ( 0.965 -4.606 1.373) 4.902 3.723 ( 0.038 -2.363 -1.549) 2.825 3.785 ( -0.242 2.840 1.023) 3.028 3.997 ( -1.665 -3.568 -0.866) 4.031 8.186 ( 0.812 1.823 -0.249) 2.011 8.957 ( -5.632 3.134 -0.469) 6.463 9.791 ( 0.203 -8.011 -6.069) 10.052 10.509 ( -0.798 8.022 5.056) 9.516 15.052 ( -1.641 -0.592 -0.183) 1.755 16.629 ( 2.988 3.260 -1.209) 4.584 ======================= Grid point 225 (79/429) ======================= q-point: (-0.43 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 5.336 0.089 -0.215) 5.341 1.378 ( -3.463 -1.312 -1.209) 3.895 1.513 ( -0.222 1.598 0.478) 1.683 1.877 ( -4.545 0.060 -2.452) 5.165 2.023 ( 0.761 -0.045 -0.169) 0.781 2.121 ( 1.475 -4.389 -0.203) 4.635 2.420 ( 1.087 8.538 -0.118) 8.608 2.551 ( -1.937 -5.588 -0.122) 5.915 2.871 ( -2.865 4.420 -3.669) 6.420 3.360 ( 5.331 -2.213 1.425) 5.945 3.532 ( 1.938 -0.509 -2.485) 3.192 3.693 ( 3.799 -5.519 -0.789) 6.747 3.751 ( 1.787 -2.235 2.645) 3.897 3.799 ( -0.750 -3.974 2.681) 4.853 4.013 ( -3.420 -0.253 -0.766) 3.514 8.191 ( 3.069 -1.099 0.442) 3.289 8.867 ( -11.522 0.759 -0.571) 11.561 9.927 ( 7.492 -6.523 -5.867) 11.537 10.444 ( -0.832 0.519 5.822) 5.904 15.095 ( 1.805 -3.597 0.640) 4.075 16.579 ( -1.122 2.234 -1.260) 2.800 ======================= Grid point 226 (80/429) ======================= q-point: (-0.36 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 7.431 1.187 -0.407) 7.536 1.322 ( -1.267 5.419 -0.894) 5.636 1.458 ( -5.753 1.239 0.360) 5.896 1.842 ( -1.545 1.782 -1.489) 2.789 2.008 ( 1.027 1.993 -0.684) 2.344 2.177 ( -0.601 -0.716 -3.563) 3.684 2.264 ( -2.201 5.982 3.753) 7.397 2.647 ( -1.198 -4.174 1.019) 4.461 2.765 ( -2.746 3.629 -3.229) 5.580 3.394 ( 7.451 3.272 1.503) 8.276 3.520 ( 0.895 1.148 -2.772) 3.131 3.686 ( 0.577 2.586 -1.180) 2.901 3.846 ( -2.863 -0.181 1.095) 3.070 3.950 ( 5.803 -8.426 1.789) 10.387 3.998 ( -2.126 -2.878 0.922) 3.695 8.261 ( 4.835 -3.483 0.635) 5.993 8.792 ( -14.072 -1.520 -0.571) 14.165 10.070 ( 12.743 -5.231 -6.968) 15.437 10.521 ( -1.839 -6.273 7.104) 9.654 15.199 ( 4.261 -5.059 0.709) 6.652 16.526 ( -4.763 1.023 -1.094) 4.993 ======================= Grid point 227 (81/429) ======================= q-point: (-0.29 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 7.134 4.866 -0.603) 8.657 1.176 ( -0.547 8.792 -0.613) 8.831 1.420 ( -5.951 -0.704 0.356) 6.003 1.769 ( -0.500 4.641 -1.332) 4.854 1.936 ( 2.334 7.102 -0.968) 7.538 2.121 ( -6.867 -0.577 -2.171) 7.225 2.231 ( -0.016 1.802 2.685) 3.233 2.667 ( -1.986 2.112 1.241) 3.153 2.681 ( -2.279 2.747 -1.070) 3.726 3.350 ( 7.651 6.232 0.145) 9.869 3.487 ( 0.402 2.047 -2.030) 2.911 3.625 ( 0.267 3.482 -1.921) 3.986 3.779 ( -4.962 2.721 -0.599) 5.691 4.037 ( -0.358 -2.509 1.639) 3.018 4.166 ( 5.579 -8.260 -1.331) 10.056 8.375 ( 5.916 -4.850 0.599) 7.673 8.757 ( -13.468 -4.168 -0.515) 14.108 10.215 ( 14.804 -4.911 -9.617) 18.324 10.686 ( -2.071 -9.021 8.975) 12.892 15.326 ( 5.545 -5.151 0.196) 7.571 16.477 ( -7.796 -0.311 -0.820) 7.845 ======================= Grid point 228 (82/429) ======================= q-point: (-0.21 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 2.661 9.732 0.510) 10.102 1.001 ( 0.718 10.197 -0.459) 10.232 1.403 ( -4.647 0.216 -0.553) 4.684 1.670 ( 2.325 5.539 -0.569) 6.034 1.801 ( -1.339 6.668 -0.239) 6.805 2.094 ( -1.157 1.171 -3.061) 3.476 2.187 ( -3.524 2.213 1.740) 4.510 2.553 ( -2.600 9.129 2.109) 9.724 2.624 ( -2.112 2.002 0.549) 2.962 3.285 ( 5.519 4.341 -1.985) 7.296 3.426 ( -0.434 3.817 -0.014) 3.842 3.554 ( 0.346 3.320 -2.683) 4.282 3.724 ( -2.671 0.273 -0.771) 2.794 4.064 ( -1.215 -0.776 -0.637) 1.576 4.314 ( 4.490 -5.542 -3.702) 8.036 8.504 ( 5.066 -4.966 0.750) 7.133 8.787 ( -9.774 -7.074 -0.577) 12.079 10.331 ( 15.226 -2.448 -14.834) 21.398 10.892 ( -2.651 -10.316 12.738) 16.604 15.452 ( 5.941 -4.713 -0.076) 7.583 16.436 ( -9.709 -1.253 -0.681) 9.814 ======================= Grid point 229 (83/429) ======================= q-point: (-0.14 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( -0.612 11.941 2.157) 12.150 0.802 ( 1.145 11.996 1.036) 12.095 1.285 ( -3.917 10.201 -1.165) 10.989 1.635 ( 4.958 0.726 1.464) 5.220 1.682 ( -3.863 4.250 -0.514) 5.766 2.007 ( 2.884 7.180 -1.883) 7.964 2.139 ( -3.456 2.744 0.069) 4.413 2.352 ( -3.401 9.267 1.498) 9.984 2.593 ( -1.596 0.412 1.034) 1.945 3.239 ( 2.649 2.511 -3.277) 4.905 3.365 ( -0.974 2.285 1.620) 2.965 3.487 ( 0.654 3.143 -2.644) 4.159 3.721 ( -0.042 -0.912 -0.790) 1.207 4.057 ( -1.516 -0.216 -1.792) 2.357 4.396 ( 1.880 -3.484 -5.307) 6.621 8.613 ( 1.143 -4.271 1.062) 4.547 8.891 ( -3.453 -8.491 -1.262) 9.253 10.338 ( 14.648 4.343 -22.832) 27.472 11.145 ( -5.536 -13.433 18.458) 23.490 15.569 ( 4.877 -4.289 0.552) 6.518 16.403 ( -7.849 -1.445 -0.338) 7.988 ======================= Grid point 230 (84/429) ======================= q-point: (-0.07 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 1.576 11.511 4.552) 12.478 0.595 ( -0.011 11.603 5.140) 12.691 0.994 ( -0.843 19.025 2.124) 19.162 1.587 ( -6.713 1.609 -1.715) 7.113 1.695 ( 5.728 -1.560 2.683) 6.515 1.877 ( 3.163 7.514 -2.449) 8.512 1.960 ( -2.652 13.255 1.921) 13.654 2.284 ( 0.529 -1.618 -1.887) 2.541 2.594 ( -0.648 -0.626 0.791) 1.199 3.187 ( 0.941 3.506 -3.425) 4.991 3.336 ( -1.586 1.050 0.657) 2.012 3.420 ( 0.631 3.488 -2.553) 4.368 3.746 ( 1.809 -1.486 -0.422) 2.379 4.052 ( -0.638 -0.852 -1.286) 1.669 4.442 ( -2.630 -4.718 -3.294) 6.327 8.684 ( -2.079 -3.373 0.969) 4.079 9.017 ( 0.629 -6.141 -3.144) 6.928 10.104 ( 10.841 19.656 -33.693) 40.486 11.476 ( -16.449 -20.143 23.895) 35.317 15.665 ( 0.491 -3.554 2.000) 4.108 16.424 ( 5.942 -2.860 1.607) 6.788 ======================= Grid point 233 (85/429) ======================= q-point: ( 0.14 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( -0.456 0.000 16.769) 16.776 0.504 ( 4.210 -0.000 7.648) 8.731 0.882 ( 16.263 -0.000 1.332) 16.318 1.378 ( -8.324 0.000 0.517) 8.340 1.550 ( -2.559 0.000 0.341) 2.582 1.651 ( 3.636 -0.000 0.546) 3.677 2.215 ( 14.542 -0.000 -9.740) 17.502 2.441 ( 8.517 -0.000 -7.177) 11.138 2.744 ( 6.717 -0.000 0.400) 6.729 2.815 ( 0.809 -0.000 4.141) 4.219 3.219 ( -5.627 0.000 1.829) 5.917 3.302 ( -0.812 0.000 -2.678) 2.799 3.844 ( 1.466 -0.000 4.325) 4.567 4.122 ( 3.102 -0.000 -2.356) 3.895 4.575 ( -14.563 0.000 6.318) 15.875 8.214 ( -17.052 0.000 -0.130) 17.053 9.038 ( 13.712 -0.000 0.833) 13.737 9.237 ( 4.027 -0.000 0.616) 4.074 11.481 ( -29.696 0.000 21.598) 36.719 15.785 ( -0.841 0.000 3.557) 3.656 17.211 ( 18.126 -0.000 -16.242) 24.339 ======================= Grid point 234 (86/429) ======================= q-point: ( 0.21 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( -4.290 -4.801 13.643) 15.086 0.648 ( 5.104 -7.368 4.490) 10.025 1.028 ( 11.996 -7.530 -4.552) 14.877 1.343 ( -0.960 1.086 5.619) 5.803 1.593 ( -2.795 -5.041 -0.371) 5.776 1.778 ( 3.177 -10.694 1.954) 11.325 2.168 ( 10.257 7.220 -3.398) 12.995 2.454 ( 9.620 0.557 -9.133) 13.277 2.731 ( 5.501 1.826 2.314) 6.241 3.006 ( 1.305 -10.965 -1.112) 11.098 3.191 ( -5.578 -0.051 2.808) 6.245 3.314 ( -0.900 -2.730 -2.522) 3.824 3.861 ( 1.826 1.122 3.579) 4.172 4.097 ( 2.430 3.508 -4.036) 5.873 4.362 ( -12.011 13.501 4.435) 18.607 8.293 ( -17.097 -14.340 -4.261) 22.717 9.194 ( 9.080 -7.419 -1.644) 11.840 9.276 ( 4.793 -1.227 -0.181) 4.951 11.355 ( -23.281 4.448 18.542) 30.093 15.732 ( -2.472 6.162 2.691) 7.164 17.145 ( 15.468 9.644 -10.566) 21.069 ======================= Grid point 235 (87/429) ======================= q-point: ( 0.29 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -5.897 -7.594 5.974) 11.319 0.822 ( 7.666 -5.266 2.690) 9.681 1.209 ( 1.826 -6.131 -1.565) 6.586 1.419 ( 8.380 -6.418 3.269) 11.050 1.671 ( -1.499 -4.827 -0.684) 5.100 2.040 ( 3.664 -7.839 1.204) 8.736 2.117 ( 4.439 -2.964 2.146) 5.753 2.468 ( 10.596 0.649 -9.339) 14.139 2.755 ( 5.086 0.214 2.448) 5.649 3.129 ( -2.676 -1.555 3.039) 4.338 3.205 ( -2.396 -4.217 -0.940) 4.940 3.371 ( 0.169 -4.931 -3.039) 5.794 3.852 ( 1.408 2.119 2.492) 3.561 3.951 ( -1.902 11.019 -7.795) 13.631 4.102 ( -7.000 6.844 1.128) 9.855 8.386 ( -11.419 -6.560 -4.431) 13.895 9.311 ( 11.821 1.582 0.752) 11.950 9.352 ( -7.172 -8.220 -7.361) 13.160 11.202 ( -16.982 5.974 14.528) 23.133 15.563 ( -4.808 10.012 0.916) 11.145 17.018 ( 14.316 9.877 -5.185) 18.149 ======================= Grid point 236 (88/429) ======================= q-point: ( 0.36 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -4.956 -8.613 1.988) 10.134 0.938 ( 7.841 -1.388 0.932) 8.017 1.287 ( 1.138 -3.130 2.025) 3.898 1.642 ( 5.739 -9.936 -1.125) 11.530 1.747 ( 3.835 -3.440 -0.586) 5.185 2.018 ( -0.732 2.871 -0.739) 3.054 2.391 ( 2.763 -11.609 4.464) 12.741 2.489 ( 8.514 -2.198 -7.644) 11.652 2.798 ( 4.264 -0.789 1.994) 4.773 3.127 ( -4.490 0.317 5.530) 7.130 3.256 ( 0.398 -2.711 -2.582) 3.765 3.444 ( 1.700 -2.801 -5.156) 6.109 3.715 ( -5.890 5.715 -8.186) 11.591 3.830 ( 0.764 1.351 1.506) 2.163 3.988 ( -2.810 3.546 -1.429) 4.745 8.373 ( -5.697 0.107 -3.241) 6.555 9.290 ( -0.198 4.748 -1.350) 4.940 9.418 ( -1.387 -5.877 -6.690) 9.012 11.047 ( -11.571 7.204 10.495) 17.203 15.341 ( -6.166 9.817 -0.673) 11.612 16.916 ( 12.229 8.483 -2.330) 15.065 ======================= Grid point 237 (89/429) ======================= q-point: ( 0.43 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -0.746 -2.234 1.272) 2.677 1.024 ( 3.974 -6.081 -1.697) 7.460 1.370 ( 2.310 -3.802 1.129) 4.590 1.776 ( -2.023 -4.711 0.688) 5.173 1.876 ( 11.785 -4.644 -1.313) 12.735 1.959 ( -6.960 0.238 -2.103) 7.275 2.448 ( 5.590 2.159 -2.069) 6.339 2.665 ( 2.641 -6.307 -0.005) 6.837 2.876 ( 3.911 -6.320 1.222) 7.532 3.107 ( -4.263 1.522 3.502) 5.723 3.302 ( 1.144 -3.194 -3.325) 4.750 3.437 ( -0.189 -0.312 -5.262) 5.275 3.644 ( -2.443 -2.084 -4.105) 5.212 3.843 ( -0.367 -2.339 0.275) 2.383 3.911 ( -1.081 3.147 -1.017) 3.480 8.307 ( -1.324 3.135 -2.195) 4.050 9.152 ( -8.392 5.984 -1.377) 10.399 9.506 ( 3.453 -5.854 -5.833) 8.957 10.876 ( -7.167 9.213 7.151) 13.689 15.147 ( -5.731 6.407 -1.029) 8.657 16.829 ( 9.166 7.398 -1.200) 11.840 ======================= Grid point 238 (90/429) ======================= q-point: ( 0.50 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 3.139 -1.056 0.650) 3.375 1.168 ( 0.296 -8.255 -2.509) 8.633 1.453 ( 2.240 -3.410 0.383) 4.097 1.855 ( -3.147 -5.247 2.041) 6.450 1.900 ( -9.731 -0.546 -1.873) 9.925 2.011 ( 11.273 -2.666 -1.884) 11.736 2.432 ( 2.101 0.975 -1.248) 2.631 2.692 ( 3.596 3.448 -0.839) 5.052 3.028 ( -2.322 3.407 -1.927) 4.551 3.088 ( 1.395 -10.703 1.663) 10.921 3.369 ( 1.624 -4.946 -2.532) 5.789 3.472 ( -0.633 -4.327 0.721) 4.432 3.674 ( 0.414 -2.701 -2.773) 3.893 3.839 ( -0.986 2.569 0.318) 2.770 3.912 ( -0.339 -3.730 -0.435) 3.770 8.242 ( 2.255 3.152 -0.968) 3.994 8.981 ( -12.319 4.981 -0.771) 13.310 9.633 ( 5.606 -7.419 -5.010) 10.562 10.687 ( -4.028 9.865 5.033) 11.785 15.041 ( -3.606 1.642 -0.406) 3.983 16.742 ( 5.579 6.478 -0.973) 8.605 ======================= Grid point 239 (91/429) ======================= q-point: ( 0.57 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 5.495 -0.963 0.600) 5.611 1.281 ( -2.905 -5.401 -2.170) 6.506 1.523 ( 1.603 -1.893 0.577) 2.547 1.839 ( -5.194 0.053 -2.757) 5.881 1.950 ( -5.809 -5.856 2.433) 8.599 2.099 ( 8.687 -1.136 -1.508) 8.890 2.446 ( -1.302 -3.049 -0.540) 3.359 2.597 ( 2.739 8.311 -0.896) 8.796 2.925 ( -2.786 4.202 -2.684) 5.712 3.293 ( 3.760 -8.122 0.579) 8.968 3.476 ( 1.816 -5.411 -2.251) 6.135 3.580 ( 0.581 -7.207 2.961) 7.813 3.714 ( 0.544 -2.123 -1.838) 2.861 3.808 ( 1.694 1.318 2.572) 3.350 3.962 ( -2.783 -2.528 -0.960) 3.880 8.220 ( 5.166 1.299 0.218) 5.331 8.822 ( -14.521 3.033 -0.494) 14.842 9.803 ( 7.607 -8.655 -4.566) 12.394 10.527 ( -2.753 6.777 4.424) 8.549 15.039 ( -0.776 -2.668 0.244) 2.789 16.650 ( 2.056 5.542 -1.000) 5.995 ======================= Grid point 240 (92/429) ======================= q-point: (-0.36 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 7.486 -0.413 0.559) 7.518 1.318 ( -4.576 -2.304 -1.309) 5.288 1.501 ( -1.920 4.482 0.030) 4.876 1.833 ( 0.094 -1.589 -1.660) 2.300 1.999 ( -4.668 -1.892 1.144) 5.166 2.150 ( 4.626 -0.953 -2.348) 5.274 2.426 ( -0.847 9.312 0.793) 9.384 2.534 ( -0.627 -5.958 0.031) 5.991 2.822 ( -1.229 4.560 -1.902) 5.091 3.424 ( 4.403 -3.512 -0.670) 5.672 3.534 ( 0.763 -0.790 -1.580) 1.924 3.709 ( 1.414 -0.483 -2.189) 2.651 3.791 ( 1.188 -9.735 1.597) 9.937 3.834 ( 2.189 -1.064 3.175) 4.001 3.961 ( -3.958 -0.555 -0.242) 4.004 8.258 ( 7.285 -1.052 0.843) 7.409 8.695 ( -15.101 0.748 -0.425) 15.125 9.993 ( 10.149 -7.917 -5.347) 13.938 10.461 ( -3.795 -0.190 5.072) 6.337 15.119 ( 1.455 -5.386 0.193) 5.582 16.557 ( -0.827 4.468 -0.880) 4.628 ======================= Grid point 241 (93/429) ======================= q-point: (-0.29 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 7.860 1.430 0.345) 7.996 1.303 ( -0.953 2.753 -0.715) 2.999 1.379 ( -6.385 3.610 -0.557) 7.356 1.834 ( 1.671 2.408 -1.251) 3.187 1.996 ( -2.767 -0.860 0.467) 2.936 2.138 ( 0.975 4.721 -4.697) 6.731 2.283 ( -0.836 4.456 3.782) 5.904 2.634 ( -1.501 -4.208 -0.066) 4.468 2.735 ( -0.090 3.749 0.311) 3.763 3.477 ( 4.944 0.761 -0.451) 5.023 3.506 ( 0.761 2.617 -3.183) 4.191 3.679 ( 0.433 2.617 -2.212) 3.454 3.810 ( -2.956 3.297 0.150) 4.431 3.981 ( -1.699 -3.315 1.355) 3.964 4.011 ( 2.720 -10.328 -1.187) 10.746 8.348 ( 8.587 -2.963 0.921) 9.131 8.616 ( -13.979 -1.979 -0.332) 14.122 10.160 ( 11.650 -5.742 -7.537) 15.016 10.532 ( -5.517 -7.727 6.333) 11.413 15.241 ( 2.317 -6.385 -0.521) 6.812 16.472 ( -2.589 3.219 -0.555) 4.169 ======================= Grid point 242 (94/429) ======================= q-point: (-0.21 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 3.923 6.594 0.610) 7.697 1.170 ( 0.109 8.690 -0.305) 8.696 1.353 ( -3.226 -2.269 -1.354) 4.170 1.765 ( 1.311 4.612 -1.525) 5.031 1.950 ( 1.203 9.109 -1.319) 9.282 2.036 ( -3.816 -1.805 -1.271) 4.409 2.247 ( -0.247 2.536 1.643) 3.032 2.638 ( -1.056 1.892 -0.549) 2.236 2.689 ( 0.048 3.453 3.094) 4.636 3.404 ( 2.501 6.075 -2.701) 7.103 3.482 ( 1.090 2.189 -1.654) 2.952 3.609 ( 0.329 3.609 -2.989) 4.698 3.730 ( -1.853 2.564 -0.128) 3.166 4.025 ( -1.888 -2.055 -1.030) 2.974 4.187 ( 1.344 -8.346 -4.283) 9.477 8.465 ( 7.009 -3.475 0.912) 7.876 8.609 ( -9.446 -5.682 -0.219) 11.025 10.283 ( 10.109 -4.452 -11.266) 15.778 10.707 ( -6.134 -11.278 8.333) 15.305 15.369 ( 1.689 -6.392 -1.121) 6.705 16.407 ( -2.571 1.928 -0.257) 3.224 ======================= Grid point 243 (95/429) ======================= q-point: (-0.14 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -0.259 10.846 1.756) 10.990 1.014 ( 1.273 9.495 -0.106) 9.581 1.357 ( -0.311 0.861 -2.293) 2.469 1.690 ( 0.351 3.595 -0.719) 3.683 1.778 ( -0.714 7.717 -0.714) 7.783 2.068 ( 1.228 -2.061 -2.053) 3.158 2.174 ( -0.644 5.266 0.609) 5.340 2.550 ( -0.997 9.115 2.640) 9.542 2.623 ( 0.555 2.964 1.586) 3.407 3.304 ( 1.737 4.523 -3.745) 6.124 3.412 ( -2.163 3.624 -0.040) 4.221 3.539 ( 1.206 3.174 -3.289) 4.727 3.707 ( 0.982 -0.175 -0.557) 1.143 4.027 ( -2.346 -0.809 -3.202) 4.051 4.293 ( -0.822 -5.424 -6.834) 8.763 8.545 ( -1.721 -3.569 0.725) 4.028 8.723 ( 1.941 -8.391 -0.036) 8.613 10.339 ( 6.919 -1.555 -17.003) 18.423 10.926 ( -8.031 -12.537 11.990) 19.116 15.484 ( -0.713 -6.070 -0.775) 6.161 16.376 ( 0.938 0.404 -0.052) 1.023 ======================= Grid point 244 (96/429) ======================= q-point: (-0.07 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 0.786 10.809 2.868) 11.210 0.829 ( 0.967 11.404 2.109) 11.638 1.271 ( 3.330 9.104 -1.731) 9.847 1.584 ( -8.057 4.528 -0.632) 9.264 1.717 ( 3.670 0.511 0.901) 3.814 2.018 ( 1.232 7.352 -1.423) 7.589 2.137 ( 3.687 1.435 -0.354) 3.972 2.347 ( 0.120 10.677 1.680) 10.809 2.603 ( 1.623 0.926 1.403) 2.336 3.231 ( 0.744 2.762 -3.672) 4.654 3.348 ( -3.525 1.712 1.124) 4.076 3.478 ( 1.644 3.186 -3.158) 4.778 3.729 ( 2.162 -1.245 -0.579) 2.561 4.017 ( -1.548 -1.313 -3.393) 3.954 4.327 ( -4.271 -3.497 -7.744) 9.510 8.600 ( -4.243 -4.124 0.457) 5.934 8.900 ( 5.992 -7.557 -0.405) 9.653 10.251 ( 1.784 6.355 -24.140) 25.026 11.163 ( -13.563 -13.880 16.871) 25.715 15.573 ( -4.588 -5.411 0.754) 7.134 16.425 ( 10.188 -2.764 0.284) 10.561 ======================= Grid point 248 (97/429) ======================= q-point: ( 0.21 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( -8.222 0.000 15.477) 17.525 0.604 ( 3.766 -0.000 5.107) 6.345 1.007 ( 10.949 -0.000 -6.263) 12.614 1.407 ( 6.508 -0.000 7.569) 9.982 1.521 ( -2.432 0.000 -0.049) 2.433 1.700 ( 3.549 -0.000 0.685) 3.614 2.287 ( 9.033 -0.000 -7.235) 11.573 2.471 ( 8.174 -0.000 -10.364) 13.199 2.825 ( 6.086 -0.000 0.389) 6.099 2.865 ( 1.579 -0.000 4.720) 4.977 3.178 ( -5.531 0.000 4.845) 7.353 3.267 ( -1.086 0.000 -3.016) 3.206 3.900 ( 2.113 -0.000 3.755) 4.309 4.127 ( 1.578 -0.000 -3.619) 3.948 4.458 ( -12.070 0.000 4.553) 12.901 8.008 ( -16.355 0.000 -0.470) 16.362 9.200 ( 11.809 -0.000 0.909) 11.844 9.322 ( 8.691 -0.000 1.645) 8.845 11.323 ( -23.588 0.000 16.886) 29.010 15.789 ( -2.391 0.000 1.925) 3.070 17.269 ( 11.529 -0.000 -11.898) 16.568 ======================= Grid point 249 (98/429) ======================= q-point: ( 0.29 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -10.140 -3.196 9.000) 13.929 0.748 ( 4.523 -8.267 4.446) 10.420 1.105 ( 8.178 -5.284 -1.740) 9.891 1.459 ( 9.401 1.672 4.756) 10.667 1.564 ( -1.246 -5.249 -0.386) 5.409 1.835 ( 3.556 -11.043 2.074) 11.786 2.242 ( 7.110 6.032 -3.941) 10.122 2.480 ( 7.783 -0.461 -10.828) 13.343 2.815 ( 4.699 1.823 3.260) 6.003 3.021 ( 1.476 -8.816 0.555) 8.956 3.159 ( -5.145 0.432 5.266) 7.375 3.281 ( -0.988 -3.196 -2.775) 4.346 3.909 ( 1.434 1.798 3.137) 3.890 4.082 ( 1.632 4.352 -5.637) 7.306 4.260 ( -10.017 13.334 3.604) 17.062 8.062 ( -15.971 -13.766 -3.111) 21.313 9.261 ( 5.418 0.355 -0.322) 5.439 9.404 ( 12.601 -0.879 1.683) 12.743 11.222 ( -21.163 2.568 13.961) 25.483 15.708 ( -3.612 7.240 0.501) 8.107 17.227 ( 11.091 6.464 -7.748) 14.994 ======================= Grid point 250 (99/429) ======================= q-point: ( 0.36 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( -8.122 -7.878 4.933) 12.344 0.938 ( 8.103 -5.775 2.086) 10.167 1.242 ( 2.380 -4.958 2.676) 6.116 1.525 ( 4.615 -3.551 0.148) 5.825 1.682 ( 6.144 -6.175 -0.763) 8.745 2.097 ( 3.713 -5.795 1.675) 7.083 2.169 ( 2.986 -2.894 -0.527) 4.191 2.492 ( 5.634 -0.684 -9.588) 11.141 2.834 ( 4.036 0.637 3.517) 5.391 3.134 ( -3.105 -0.398 6.598) 7.303 3.176 ( -0.434 -5.035 -2.117) 5.479 3.348 ( 0.196 -5.513 -2.969) 6.265 3.838 ( -4.106 11.033 -3.124) 12.180 3.909 ( 2.610 7.011 -1.112) 7.564 4.044 ( -4.461 5.113 0.722) 6.823 8.202 ( -12.128 -11.136 -4.684) 17.118 9.246 ( -3.039 1.584 -1.911) 3.924 9.484 ( 13.606 1.708 0.850) 13.739 11.100 ( -16.805 3.372 10.460) 20.079 15.504 ( -4.714 11.234 -0.863) 12.214 17.133 ( 10.809 8.185 -3.522) 14.008 ======================= Grid point 251 (100/429) ======================= q-point: ( 0.43 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -5.865 -8.802 2.391) 10.844 1.057 ( 10.598 -0.454 0.629) 10.626 1.333 ( 2.176 -2.795 3.314) 4.851 1.637 ( -2.891 -7.760 -1.351) 8.390 1.846 ( 10.835 -5.431 -0.718) 12.142 1.999 ( -0.304 7.256 -1.522) 7.420 2.446 ( 1.141 -13.579 3.470) 14.061 2.494 ( 2.456 -1.843 -8.037) 8.604 2.863 ( 3.390 -0.068 2.627) 4.289 3.138 ( -1.961 0.964 6.098) 6.478 3.244 ( 0.881 -3.143 -2.251) 3.965 3.422 ( 1.831 -1.337 -5.285) 5.750 3.597 ( -4.523 4.506 -4.730) 7.946 3.850 ( -0.092 2.562 2.134) 3.335 3.956 ( -1.127 2.957 -0.837) 3.273 8.276 ( -5.284 -4.607 -3.758) 7.954 9.146 ( -10.720 3.765 -1.944) 11.528 9.525 ( 12.938 1.917 -0.723) 13.099 10.978 ( -11.694 4.718 7.098) 14.471 15.265 ( -4.890 10.317 -1.158) 11.476 17.030 ( 9.132 8.567 -1.270) 12.585 ======================= Grid point 252 (101/429) ======================= q-point: ( 0.50 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -3.452 -7.158 1.555) 8.097 1.108 ( 10.319 0.699 -0.685) 10.366 1.411 ( 2.686 -3.015 1.100) 4.185 1.750 ( -3.254 -6.640 -0.264) 7.399 1.834 ( -10.205 3.078 0.177) 10.660 2.024 ( 13.440 -3.195 -2.091) 13.972 2.463 ( -0.285 1.461 -1.862) 2.384 2.693 ( 2.922 -7.556 -1.743) 8.287 2.933 ( 3.355 -5.975 2.333) 7.239 3.083 ( -3.077 5.155 0.493) 6.024 3.299 ( 1.578 -3.089 -0.975) 3.603 3.406 ( 0.156 -1.829 -2.199) 2.864 3.599 ( -0.930 -4.080 -2.302) 4.776 3.835 ( -1.598 -0.571 1.429) 2.219 3.908 ( 0.652 1.866 -0.041) 1.977 8.291 ( 1.755 0.134 -1.787) 2.508 8.978 ( -15.004 4.962 -0.781) 15.823 9.584 ( 10.758 -1.522 -2.122) 11.070 10.835 ( -7.399 7.195 4.476) 11.249 15.083 ( -3.895 5.883 -0.438) 7.069 16.916 ( 6.495 8.542 -0.548) 10.745 ======================= Grid point 253 (102/429) ======================= q-point: ( 0.57 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 1.285 -3.874 1.935) 4.517 1.175 ( 4.922 -3.162 -2.213) 6.255 1.482 ( 1.875 -3.012 0.283) 3.560 1.761 ( -10.243 -2.520 -1.733) 10.690 1.837 ( -2.739 -4.319 2.565) 5.722 2.132 ( 10.816 -1.351 -1.455) 10.997 2.422 ( -2.256 1.334 -0.399) 2.651 2.740 ( 5.697 3.843 -2.164) 7.205 2.961 ( -4.516 3.670 -2.065) 6.175 3.132 ( 2.541 -10.912 1.349) 11.285 3.379 ( 2.101 -4.903 -1.052) 5.437 3.475 ( -0.997 -5.149 2.296) 5.725 3.662 ( 0.675 -3.359 -1.978) 3.956 3.842 ( -0.222 0.003 2.112) 2.123 3.905 ( -0.396 -1.192 -0.018) 1.256 8.292 ( 7.012 1.867 0.063) 7.256 8.794 ( -16.339 4.269 0.117) 16.888 9.699 ( 8.751 -5.698 -2.515) 10.741 10.666 ( -4.833 8.375 3.020) 10.130 15.006 ( -2.070 0.466 0.342) 2.150 16.792 ( 3.680 8.050 -0.467) 8.864 ======================= Grid point 254 (103/429) ======================= q-point: (-0.36 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 4.627 -2.297 1.776) 5.462 1.234 ( -1.306 -2.742 -2.104) 3.694 1.536 ( -0.247 -0.719 0.782) 1.091 1.774 ( -1.746 -3.803 -2.620) 4.937 1.906 ( -4.596 -4.350 2.702) 6.881 2.191 ( 8.385 0.967 -1.118) 8.514 2.406 ( -4.619 -2.646 0.677) 5.366 2.628 ( 3.275 8.928 -1.608) 9.645 2.883 ( -0.942 3.033 -1.754) 3.628 3.333 ( 2.539 -8.362 -0.116) 8.740 3.474 ( 0.317 -4.305 -1.872) 4.705 3.606 ( -0.218 -8.818 2.496) 9.167 3.705 ( 0.515 -1.632 -1.955) 2.598 3.864 ( 3.195 -0.036 3.476) 4.721 3.920 ( -3.376 -1.255 0.049) 3.602 8.317 ( 9.985 1.185 1.096) 10.115 8.634 ( -15.741 2.650 0.405) 15.968 9.873 ( 8.002 -8.566 -2.625) 12.013 10.512 ( -4.398 6.063 2.602) 7.930 15.034 ( -0.397 -3.802 0.295) 3.834 16.665 ( 1.424 7.100 -0.398) 7.252 ======================= Grid point 255 (104/429) ======================= q-point: (-0.29 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 3.882 -1.107 1.214) 4.216 1.255 ( -2.147 -2.134 -1.531) 3.392 1.480 ( -1.126 5.950 0.252) 6.061 1.845 ( 3.382 -2.810 -1.597) 4.678 1.948 ( -4.872 -2.162 1.569) 5.557 2.186 ( 4.017 2.219 -2.105) 5.049 2.418 ( -1.719 5.682 1.931) 6.243 2.532 ( 0.396 -3.041 -0.571) 3.120 2.813 ( 0.913 3.988 -0.121) 4.092 3.458 ( 3.483 -3.704 -2.216) 5.546 3.515 ( -1.950 -1.504 -1.882) 3.099 3.701 ( 0.848 0.630 -2.966) 3.148 3.805 ( -0.247 -10.545 -0.259) 10.551 3.866 ( -0.969 2.187 0.764) 2.511 3.938 ( -0.391 -1.895 3.186) 3.727 8.380 ( 11.292 -0.584 1.238) 11.375 8.516 ( -13.923 0.421 0.358) 13.934 10.074 ( 9.015 -8.423 -3.614) 12.856 10.430 ( -6.711 -0.218 2.862) 7.300 15.128 ( 0.124 -6.071 -0.680) 6.110 16.550 ( 0.352 5.776 -0.122) 5.788 ======================= Grid point 256 (105/429) ======================= q-point: (-0.21 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -2.721 1.238 0.103) 2.991 1.294 ( 1.978 -2.044 -1.178) 3.079 1.338 ( 1.466 8.657 0.327) 8.786 1.848 ( 1.434 3.537 -1.320) 4.039 1.971 ( -0.950 -2.378 0.989) 2.745 2.124 ( 2.234 7.062 -4.277) 8.553 2.297 ( -1.517 4.077 3.153) 5.373 2.620 ( -0.246 -3.539 -0.325) 3.562 2.760 ( 1.932 2.982 2.565) 4.382 3.476 ( -1.295 2.383 -3.861) 4.719 3.506 ( 1.774 0.123 -2.125) 2.771 3.659 ( 0.167 2.807 -3.733) 4.674 3.791 ( -0.486 3.944 0.216) 3.980 3.976 ( -0.852 -1.631 1.408) 2.317 3.997 ( -1.626 -10.099 -3.646) 10.859 8.455 ( -9.164 -1.427 0.639) 9.296 8.486 ( 9.418 -3.394 0.656) 10.033 10.225 ( 8.791 -3.731 -7.265) 11.999 10.487 ( -9.243 -9.744 4.839) 14.276 15.241 ( -0.894 -6.759 -1.824) 7.057 16.461 ( 0.992 4.171 0.158) 4.290 ======================= Grid point 257 (106/429) ======================= q-point: (-0.14 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -4.107 5.365 0.531) 6.777 1.174 ( 0.758 8.686 -0.206) 8.721 1.346 ( 3.801 -0.944 -1.619) 4.238 1.765 ( 0.350 4.755 -1.515) 5.002 1.943 ( 0.761 10.306 -2.253) 10.577 2.022 ( 2.193 -2.653 -0.566) 3.488 2.252 ( -0.737 2.755 1.319) 3.142 2.637 ( 0.641 1.231 0.493) 1.473 2.727 ( 1.955 4.374 3.530) 5.951 3.378 ( -1.946 4.607 -3.727) 6.237 3.469 ( -0.832 3.687 -2.033) 4.292 3.586 ( 0.816 2.895 -4.403) 5.333 3.737 ( 2.546 2.314 -0.186) 3.445 3.980 ( -3.014 -0.688 -2.571) 4.022 4.133 ( -2.702 -7.813 -6.262) 10.371 8.451 ( -8.145 -3.636 0.312) 8.925 8.633 ( 10.927 -5.460 0.800) 12.241 10.268 ( 2.368 -1.850 -12.218) 12.582 10.682 ( -7.763 -13.126 7.603) 17.040 15.344 ( -3.345 -6.694 -2.096) 7.772 16.417 ( 4.037 2.074 0.115) 4.540 ======================= Grid point 258 (107/429) ======================= q-point: (-0.07 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -1.678 9.387 1.220) 9.614 1.023 ( 0.358 8.626 0.354) 8.641 1.355 ( 2.433 1.124 -2.695) 3.801 1.663 ( -2.029 6.213 -0.637) 6.567 1.786 ( 2.124 5.765 -0.962) 6.219 2.087 ( 3.726 -1.637 -2.278) 4.664 2.183 ( 2.078 4.139 0.645) 4.676 2.569 ( 0.173 9.003 3.015) 9.496 2.662 ( 3.492 3.583 1.786) 5.313 3.274 ( -1.799 3.657 -3.352) 5.277 3.375 ( -2.788 3.602 -0.929) 4.649 3.528 ( 1.760 2.587 -4.148) 5.196 3.733 ( 3.619 0.275 -0.787) 3.714 3.959 ( -3.477 -1.281 -4.774) 6.043 4.195 ( -4.935 -4.496 -8.134) 10.523 8.486 ( -6.387 -4.679 0.071) 7.918 8.818 ( 11.038 -6.843 0.850) 13.015 10.215 ( -4.388 1.058 -17.902) 18.462 10.911 ( -9.108 -12.847 11.538) 19.522 15.428 ( -6.415 -6.363 -1.042) 9.096 16.448 ( 9.884 -1.321 -0.270) 9.975 ======================= Grid point 263 (108/429) ======================= q-point: ( 0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( -12.231 0.000 9.910) 15.742 0.677 ( 2.724 -0.000 3.221) 4.218 1.123 ( 10.690 -0.000 2.153) 10.904 1.492 ( -1.998 0.000 -0.463) 2.051 1.576 ( 12.542 -0.000 3.097) 12.919 1.745 ( 3.011 -0.000 0.568) 3.064 2.321 ( 5.559 -0.000 -5.933) 8.130 2.473 ( 6.242 -0.000 -10.607) 12.307 2.899 ( 4.714 -0.000 1.859) 5.067 2.925 ( 1.983 -0.000 4.682) 5.084 3.159 ( -5.355 0.000 6.332) 8.292 3.229 ( -1.109 0.000 -3.203) 3.390 3.948 ( 1.584 -0.000 2.340) 2.826 4.105 ( 0.140 -0.000 -4.153) 4.155 4.360 ( -8.665 0.000 2.504) 9.019 7.819 ( -14.076 0.000 -0.595) 14.088 9.334 ( 9.201 -0.000 0.719) 9.229 9.470 ( 12.947 -0.000 2.363) 13.161 11.162 ( -22.903 0.000 12.029) 25.870 15.758 ( -3.527 0.000 -0.658) 3.588 17.315 ( 9.040 -0.000 -7.081) 11.483 ======================= Grid point 264 (109/429) ======================= q-point: ( 0.36 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( -9.858 -3.244 7.963) 13.081 0.822 ( 3.193 -10.272 2.385) 11.018 1.204 ( 5.825 -1.554 3.321) 6.883 1.529 ( -0.878 -2.208 0.404) 2.410 1.633 ( 12.897 -1.535 -0.750) 13.010 1.893 ( 3.734 -11.283 1.194) 11.945 2.282 ( 5.209 4.927 -4.007) 8.214 2.466 ( 3.071 -0.267 -9.110) 9.617 2.895 ( 3.582 1.723 3.909) 5.574 3.046 ( 1.477 -6.692 1.002) 6.926 3.147 ( -4.504 0.326 6.093) 7.584 3.247 ( -0.802 -3.758 -2.765) 4.734 3.941 ( 0.426 2.730 1.909) 3.359 4.051 ( 1.347 4.218 -6.005) 7.461 4.182 ( -7.037 12.830 2.843) 14.906 7.867 ( -12.714 -12.474 -2.009) 17.924 9.329 ( 5.439 5.186 0.523) 7.533 9.579 ( 13.943 -0.773 1.669) 14.064 11.060 ( -21.288 0.733 9.192) 23.199 15.657 ( -3.682 7.712 -1.834) 8.740 17.298 ( 8.581 4.710 -3.877) 10.528 ======================= Grid point 265 (110/429) ======================= q-point: ( 0.43 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -7.008 -7.914 5.247) 11.801 1.046 ( 7.320 -8.428 1.366) 11.246 1.284 ( 0.108 -4.296 2.664) 5.056 1.536 ( -0.663 -0.535 -0.601) 1.042 1.806 ( 14.112 -6.651 -1.089) 15.638 2.152 ( 2.867 -3.510 1.584) 4.800 2.182 ( 2.010 -2.738 -3.257) 4.706 2.450 ( -1.650 -1.112 -6.187) 6.499 2.905 ( 2.702 1.042 3.348) 4.427 3.147 ( -2.060 -1.237 2.257) 3.296 3.167 ( 0.089 -4.456 2.241) 4.989 3.330 ( 0.516 -6.105 -2.431) 6.591 3.772 ( -1.221 15.146 -4.368) 15.810 3.938 ( 0.878 5.555 2.133) 6.015 4.001 ( -3.002 3.632 -0.136) 4.714 8.040 ( -9.069 -13.332 -2.834) 16.371 9.223 ( -0.465 8.080 0.107) 8.094 9.649 ( 12.505 2.384 0.572) 12.743 10.965 ( -16.393 0.496 6.046) 17.479 15.442 ( -3.458 11.542 -1.959) 12.208 17.226 ( 7.699 7.305 -1.149) 10.675 ======================= Grid point 266 (111/429) ======================= q-point: ( 0.50 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -4.687 -8.958 2.958) 10.534 1.192 ( 10.297 -1.122 0.246) 10.361 1.381 ( 1.983 -3.685 2.498) 4.873 1.573 ( -5.520 -6.658 -1.838) 8.842 1.921 ( -0.529 7.974 1.077) 8.064 2.043 ( 12.244 -1.322 -2.499) 12.566 2.424 ( -3.338 -5.886 -6.341) 9.273 2.477 ( -0.375 -11.187 2.567) 11.484 2.917 ( 2.294 -0.107 1.842) 2.944 3.152 ( -1.344 1.503 0.821) 2.177 3.254 ( 1.283 -3.588 2.379) 4.493 3.410 ( 2.667 0.248 -3.961) 4.781 3.532 ( -1.961 3.129 -1.913) 4.159 3.860 ( -1.537 3.308 2.827) 4.614 3.946 ( 0.202 2.013 -0.353) 2.054 8.203 ( -2.481 -9.023 -1.473) 9.473 9.036 ( -6.697 9.429 0.043) 11.565 9.664 ( 10.254 2.866 -0.189) 10.649 10.882 ( -10.702 2.112 3.154) 11.355 15.210 ( -2.761 10.203 -0.854) 10.604 17.115 ( 5.828 8.825 0.018) 10.576 ======================= Grid point 267 (112/429) ======================= q-point: ( 0.57 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -2.611 -8.313 2.071) 8.956 1.233 ( 9.576 2.300 -0.377) 9.855 1.456 ( 4.511 -1.998 0.459) 4.955 1.647 ( -10.829 -3.342 -2.086) 11.523 1.767 ( -3.586 0.374 2.885) 4.618 2.168 ( 12.612 -1.792 -1.347) 12.810 2.421 ( -4.584 -0.260 -0.819) 4.664 2.707 ( 2.303 -9.443 -2.507) 10.038 2.983 ( 1.573 -5.507 0.143) 5.730 3.042 ( -2.258 7.336 -0.757) 7.713 3.329 ( 2.427 -2.247 2.533) 4.166 3.401 ( 0.319 -2.663 -0.074) 2.683 3.582 ( 0.373 -4.838 -1.023) 4.959 3.833 ( -1.464 -0.100 2.627) 3.010 3.917 ( 0.561 1.345 0.379) 1.505 8.328 ( 5.071 -3.788 0.776) 6.377 8.816 ( -11.211 8.296 0.521) 13.956 9.689 ( 7.819 -0.374 -0.473) 7.842 10.771 ( -6.640 5.330 1.131) 8.590 15.049 ( -1.647 5.441 0.541) 5.711 16.976 ( 3.558 9.356 0.185) 10.011 ======================= Grid point 268 (113/429) ======================= q-point: (-0.36 -0.71 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -1.614 -6.429 1.678) 6.837 1.240 ( 5.974 1.631 -0.619) 6.223 1.508 ( 1.921 -1.397 1.476) 2.796 1.640 ( -6.177 -6.081 -2.601) 9.050 1.833 ( -1.620 -3.902 3.092) 5.236 2.247 ( 9.635 -0.476 -0.560) 9.663 2.376 ( -5.324 1.530 0.574) 5.569 2.783 ( 5.243 4.468 -4.206) 8.071 2.895 ( -3.678 1.441 -1.792) 4.337 3.166 ( 0.803 -10.267 1.701) 10.438 3.397 ( 1.976 -3.342 -0.433) 3.906 3.482 ( -1.514 -5.333 3.130) 6.367 3.661 ( 1.424 -3.201 -1.095) 3.671 3.861 ( -0.697 -2.150 3.290) 3.991 3.906 ( 0.361 0.512 0.743) 0.971 8.413 ( 11.127 0.278 2.177) 11.342 8.615 ( -13.413 5.576 1.071) 14.565 9.779 ( 5.719 -5.148 -0.324) 7.702 10.621 ( -4.666 7.284 0.285) 8.655 14.996 ( -0.532 0.132 1.047) 1.182 16.823 ( 1.675 8.869 0.121) 9.026 ======================= Grid point 269 (114/429) ======================= q-point: (-0.29 -0.71 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -3.884 -3.799 0.412) 5.449 1.252 ( 4.955 0.049 0.369) 4.969 1.538 ( -0.309 0.368 1.256) 1.345 1.752 ( 1.785 -7.621 -3.267) 8.482 1.890 ( -1.820 -2.259 3.366) 4.443 2.269 ( 3.150 4.058 -0.360) 5.150 2.368 ( -1.021 -4.725 1.690) 5.121 2.639 ( 0.949 8.879 -2.219) 9.201 2.874 ( 1.432 1.705 -1.334) 2.595 3.349 ( -0.104 -8.492 -0.233) 8.496 3.457 ( 0.325 -2.577 -2.355) 3.506 3.610 ( -1.900 -8.663 1.940) 9.078 3.699 ( 1.212 -0.666 -1.884) 2.337 3.884 ( -3.093 0.463 1.258) 3.371 3.933 ( 2.965 -1.656 3.945) 5.205 8.459 ( -6.551 3.385 0.226) 7.377 8.481 ( 7.420 0.953 3.169) 8.125 9.940 ( 4.508 -8.912 -0.049) 9.987 10.466 ( -4.638 6.204 -0.074) 7.746 15.033 ( -0.186 -3.608 0.233) 3.620 16.678 ( 0.836 7.568 0.222) 7.617 ======================= Grid point 270 (115/429) ======================= q-point: (-0.21 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -6.621 -1.598 -0.743) 6.851 1.299 ( 5.605 -0.791 0.510) 5.683 1.486 ( 1.576 5.609 0.609) 5.858 1.863 ( 1.041 -2.673 -2.063) 3.533 1.935 ( 1.154 -2.439 2.441) 3.639 2.199 ( -0.068 3.188 -1.513) 3.530 2.428 ( 0.739 6.559 1.907) 6.870 2.532 ( 0.368 -3.612 -0.507) 3.666 2.839 ( 2.854 2.917 0.827) 4.164 3.452 ( -4.415 -2.986 -2.523) 5.897 3.481 ( 3.156 -1.664 -3.207) 4.797 3.684 ( 0.693 1.465 -3.631) 3.976 3.778 ( -2.982 -10.147 -1.097) 10.633 3.842 ( -2.756 2.340 0.756) 3.694 3.985 ( 2.105 -0.033 3.827) 4.367 8.367 ( -10.807 -0.024 0.681) 10.829 8.550 ( 14.037 0.528 1.727) 14.153 10.147 ( 5.413 -9.808 -0.330) 11.207 10.348 ( -7.914 1.853 -0.694) 8.158 15.113 ( -1.125 -5.351 -1.275) 5.614 16.563 ( 1.465 5.734 0.400) 5.932 ======================= Grid point 271 (116/429) ======================= q-point: (-0.14 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -6.957 -0.000 -0.870) 7.012 1.312 ( 1.858 4.046 -0.431) 4.473 1.399 ( 5.683 4.276 0.461) 7.127 1.842 ( -0.040 3.332 -1.079) 3.503 2.001 ( 3.666 -1.719 1.149) 4.209 2.112 ( 1.018 7.150 -4.009) 8.260 2.300 ( -1.512 4.208 2.535) 5.140 2.623 ( 0.860 -3.300 -0.011) 3.410 2.819 ( 3.894 2.527 3.215) 5.647 3.407 ( -4.923 2.181 -3.452) 6.396 3.505 ( 1.886 0.712 -3.151) 3.741 3.624 ( 0.067 3.024 -5.278) 6.083 3.787 ( -0.325 2.052 -0.760) 2.213 3.922 ( -4.632 -8.051 -4.049) 10.133 3.988 ( 0.553 0.880 1.420) 1.759 8.337 ( -8.755 -2.755 0.395) 9.187 8.649 ( 13.845 -1.699 1.013) 13.986 10.230 ( -0.431 1.758 -7.378) 7.597 10.416 ( -6.182 -13.453 4.368) 15.436 15.197 ( -3.247 -5.849 -2.320) 7.081 16.494 ( 3.775 3.459 0.283) 5.128 ======================= Grid point 272 (117/429) ======================= q-point: (-0.07 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -5.441 2.944 -0.304) 6.194 1.184 ( 1.308 8.778 -0.475) 8.888 1.387 ( 3.805 1.771 -1.115) 4.342 1.759 ( 1.584 5.108 -1.415) 5.532 1.935 ( 0.088 9.218 -1.672) 9.369 2.062 ( 4.676 -2.144 -1.413) 5.335 2.258 ( 0.459 2.296 1.425) 2.741 2.655 ( 1.124 0.491 0.757) 1.442 2.794 ( 4.448 5.108 3.431) 7.593 3.307 ( -5.510 3.457 -2.368) 6.922 3.440 ( -0.086 4.874 -3.341) 5.909 3.558 ( 0.873 1.905 -5.310) 5.709 3.763 ( 2.494 0.661 -2.565) 3.637 3.919 ( -3.310 1.485 -2.040) 4.162 4.038 ( -4.138 -5.848 -5.895) 9.278 8.360 ( -6.768 -4.508 -0.018) 8.132 8.791 ( 13.310 -4.454 0.866) 14.062 10.135 ( -7.897 1.625 -12.097) 14.537 10.662 ( -5.003 -13.691 7.052) 16.193 15.268 ( -5.933 -5.934 -2.179) 8.669 16.491 ( 7.763 0.321 -0.262) 7.774 ======================= Grid point 278 (118/429) ======================= q-point: ( 0.36 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( -9.735 0.000 8.882) 13.178 0.722 ( 1.461 -0.000 1.939) 2.427 1.261 ( 5.936 -0.000 4.626) 7.525 1.467 ( -1.301 0.000 -0.821) 1.539 1.746 ( 15.218 -0.000 -2.088) 15.361 1.780 ( 2.131 -0.000 0.324) 2.155 2.332 ( 3.518 -0.000 -4.436) 5.662 2.453 ( 2.238 -0.000 -6.960) 7.311 2.964 ( 3.166 -0.000 1.758) 3.622 2.982 ( 1.474 -0.000 3.782) 4.059 3.148 ( -4.773 0.000 6.363) 7.954 3.191 ( -0.730 0.000 -3.172) 3.255 3.975 ( 0.692 -0.000 1.109) 1.307 4.068 ( -0.687 0.000 -3.917) 3.976 4.292 ( -4.792 0.000 0.836) 4.865 7.667 ( -10.276 0.000 -0.395) 10.283 9.431 ( 6.188 -0.000 0.309) 6.195 9.661 ( 14.993 -0.000 2.231) 15.158 10.960 ( -23.078 0.000 6.968) 24.107 15.702 ( -2.911 0.000 -3.014) 4.191 17.375 ( 7.079 -0.000 -2.401) 7.475 ======================= Grid point 279 (119/429) ======================= q-point: ( 0.43 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( -7.693 -3.400 7.675) 11.386 0.866 ( 1.720 -11.926 1.297) 12.119 1.269 ( 0.863 1.332 1.975) 2.534 1.519 ( -0.760 -2.990 -0.280) 3.098 1.783 ( 12.269 -3.111 -1.393) 12.734 1.946 ( 5.961 -9.510 -1.569) 11.333 2.314 ( 4.282 3.429 -1.801) 5.774 2.410 ( -2.419 1.774 -5.084) 5.903 2.953 ( 1.394 1.544 2.449) 3.213 3.065 ( 0.503 -4.596 0.083) 4.624 3.150 ( -3.094 -0.595 5.992) 6.770 3.221 ( -0.057 -4.461 -2.136) 4.946 3.948 ( -0.025 4.535 -0.739) 4.595 4.023 ( 0.475 2.321 -3.580) 4.293 4.139 ( -3.307 12.286 1.996) 12.879 7.731 ( -7.781 -11.851 -0.683) 14.193 9.389 ( 3.637 7.394 0.223) 8.243 9.757 ( 12.938 0.693 1.289) 13.021 10.862 ( -20.033 -1.512 4.235) 20.532 15.599 ( -2.037 7.657 -3.315) 8.589 17.370 ( 5.985 4.075 -0.228) 7.244 ======================= Grid point 280 (120/429) ======================= q-point: ( 0.50 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( -5.412 -7.825 5.013) 10.754 1.128 ( 4.608 -12.460 0.746) 13.306 1.278 ( -2.797 -3.286 0.153) 4.319 1.520 ( -0.667 1.175 -0.947) 1.650 1.981 ( 14.998 -7.256 -0.874) 16.683 2.165 ( 1.016 -12.769 -3.344) 13.238 2.185 ( 0.836 11.587 -1.149) 11.673 2.377 ( -4.616 -2.335 -0.275) 5.181 2.942 ( 0.037 0.961 1.396) 1.695 3.127 ( -1.458 -2.455 -1.478) 3.215 3.201 ( -0.040 -3.687 5.145) 6.330 3.324 ( 1.087 -6.583 -1.326) 6.802 3.739 ( 1.184 15.300 -4.106) 15.886 3.949 ( -3.647 6.259 3.382) 7.995 3.985 ( 1.748 2.246 -0.212) 2.854 7.951 ( -3.473 -14.784 0.152) 15.188 9.220 ( -0.350 11.651 -0.099) 11.657 9.784 ( 8.473 3.508 0.604) 9.190 10.813 ( -13.148 -2.441 1.397) 13.446 15.397 ( -1.087 11.241 -2.119) 11.490 17.299 ( 4.401 7.251 1.016) 8.543 ======================= Grid point 281 (121/429) ======================= q-point: (-0.43 -0.64 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -2.915 -9.237 3.303) 10.234 1.273 ( 2.943 -1.931 -1.714) 3.915 1.432 ( 1.036 -11.451 1.626) 11.612 1.486 ( -2.929 0.240 -1.637) 3.364 1.911 ( -1.390 14.117 1.220) 14.237 2.195 ( 13.909 -4.335 -1.557) 14.651 2.326 ( -6.012 -5.581 -3.018) 8.741 2.483 ( -0.934 -12.100 1.047) 12.181 2.938 ( -0.465 -0.720 0.234) 0.889 3.119 ( -2.341 2.011 -2.861) 4.208 3.303 ( 1.001 -4.278 5.048) 6.692 3.426 ( 3.498 -0.266 -1.416) 3.783 3.517 ( 0.970 3.356 -0.047) 3.493 3.860 ( -2.100 2.919 2.690) 4.490 3.954 ( 0.787 2.089 0.683) 2.334 8.204 ( 1.926 -11.980 2.573) 12.404 8.977 ( -3.133 12.893 -0.210) 13.270 9.758 ( 4.625 3.140 0.685) 5.632 10.779 ( -7.292 0.112 -1.039) 7.366 15.188 ( -0.178 9.814 -0.060) 9.816 17.170 ( 2.351 9.279 1.138) 9.639 ======================= Grid point 282 (122/429) ======================= q-point: (-0.36 -0.64 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -1.334 -8.299 2.431) 8.751 1.287 ( 0.068 0.562 -1.303) 1.421 1.486 ( -7.008 -4.660 -2.805) 8.871 1.577 ( 8.739 2.305 2.624) 9.411 1.759 ( -1.801 -1.652 2.808) 3.722 2.298 ( 8.158 0.233 0.303) 8.167 2.345 ( -5.483 -2.229 -0.835) 5.978 2.712 ( 2.430 -10.779 -3.001) 11.450 2.942 ( -3.715 2.960 -3.795) 6.080 3.042 ( -0.226 -1.518 0.718) 1.694 3.396 ( 2.644 -0.979 5.847) 6.491 3.409 ( 0.869 -1.692 0.485) 1.963 3.594 ( 2.141 -5.010 0.220) 5.452 3.841 ( -1.077 -0.598 3.261) 3.486 3.927 ( 0.159 1.376 0.818) 1.609 8.413 ( 3.826 -6.543 4.935) 9.044 8.734 ( -1.219 11.238 -0.097) 11.304 9.753 ( 1.963 -0.555 1.200) 2.367 10.700 ( -4.102 4.160 -2.301) 6.279 15.052 ( 0.615 5.326 1.506) 5.569 17.004 ( 0.498 9.788 0.803) 9.834 ======================= Grid point 283 (123/429) ======================= q-point: (-0.29 -0.64 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -2.689 -5.141 1.023) 5.892 1.274 ( -0.295 -0.442 0.772) 0.938 1.520 ( -3.801 -2.774 0.780) 4.770 1.624 ( 8.122 -4.030 -1.626) 9.212 1.852 ( 0.625 -3.957 3.531) 5.340 2.297 ( -8.023 -0.023 1.445) 8.152 2.357 ( 7.816 0.708 -0.269) 7.852 2.780 ( -0.277 7.213 -4.665) 8.594 2.861 ( 1.634 -3.682 -2.585) 4.786 3.169 ( -2.246 -9.522 0.818) 9.817 3.426 ( 2.786 -0.656 0.771) 2.964 3.492 ( -1.512 -4.793 4.266) 6.592 3.680 ( 2.575 -2.372 -0.387) 3.522 3.876 ( -1.224 -0.834 3.760) 4.041 3.925 ( 0.822 -1.422 1.641) 2.322 8.458 ( -10.683 2.832 3.660) 11.643 8.625 ( 15.922 4.000 1.792) 16.514 9.823 ( 0.408 -5.617 1.889) 5.940 10.566 ( -2.737 6.820 -2.323) 7.707 15.010 ( 0.951 0.702 1.586) 1.978 16.833 ( -0.462 8.865 0.557) 8.895 ======================= Grid point 284 (124/429) ======================= q-point: (-0.21 -0.64 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -5.421 -2.127 -0.385) 5.836 1.312 ( 3.311 -1.630 1.233) 3.891 1.545 ( -0.722 -0.235 1.132) 1.363 1.770 ( 5.765 -6.888 -3.030) 9.479 1.919 ( 1.526 -1.561 3.992) 4.550 2.233 ( -6.620 2.084 0.419) 6.953 2.426 ( 5.528 -3.586 1.242) 6.705 2.619 ( -1.027 8.218 -1.860) 8.488 2.893 ( 3.653 0.626 -2.130) 4.275 3.315 ( -4.299 -7.648 -1.267) 8.865 3.458 ( 2.558 -1.293 -1.517) 3.243 3.602 ( -2.074 -6.747 2.625) 7.531 3.703 ( 1.840 0.699 -1.805) 2.670 3.865 ( -2.631 1.476 2.676) 4.033 3.993 ( 1.899 -2.437 3.319) 4.535 8.338 ( -9.561 2.992 1.755) 10.171 8.679 ( 15.842 2.692 2.381) 16.245 9.972 ( -1.119 -9.531 2.394) 9.891 10.411 ( -2.146 7.070 -2.317) 7.744 15.036 ( 0.347 -2.247 0.345) 2.299 16.686 ( -0.106 6.955 0.481) 6.973 ======================= Grid point 285 (125/429) ======================= q-point: (-0.14 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -5.906 -0.949 -1.001) 6.065 1.359 ( 3.941 -0.137 0.308) 3.956 1.514 ( 1.226 3.938 0.811) 4.204 1.864 ( 2.632 -0.947 -1.265) 3.070 1.993 ( 4.283 -3.016 2.158) 5.665 2.159 ( -4.247 1.898 -1.410) 4.861 2.446 ( -0.320 9.578 0.440) 9.593 2.544 ( 2.029 -5.414 0.458) 5.799 2.891 ( 4.571 1.422 0.543) 4.818 3.365 ( -5.800 -1.968 -2.706) 6.696 3.496 ( 3.443 -1.594 -3.240) 4.989 3.656 ( -0.035 2.467 -4.369) 5.018 3.734 ( -2.793 -7.226 0.277) 7.752 3.820 ( -2.525 2.526 1.580) 3.905 4.034 ( 1.408 0.704 2.681) 3.109 8.263 ( -7.506 0.059 0.918) 7.562 8.737 ( 14.268 1.390 1.309) 14.395 10.156 ( -8.555 -10.256 2.153) 13.528 10.279 ( 2.692 4.176 -3.031) 5.820 15.086 ( -1.313 -3.538 -1.138) 3.942 16.586 ( 1.637 4.526 0.284) 4.821 ======================= Grid point 286 (126/429) ======================= q-point: (-0.07 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -4.975 -0.172 -0.967) 5.071 1.333 ( 2.208 5.742 -0.581) 6.180 1.454 ( 2.674 3.281 0.314) 4.244 1.851 ( 3.440 3.309 -0.914) 4.860 2.048 ( 0.847 0.947 1.488) 1.957 2.082 ( -0.458 4.027 -3.940) 5.653 2.311 ( 1.070 4.067 1.803) 4.575 2.633 ( 0.578 -3.195 -0.401) 3.271 2.902 ( 5.507 1.877 2.789) 6.452 3.314 ( -5.955 2.049 -2.516) 6.781 3.503 ( 2.073 2.184 -3.592) 4.687 3.576 ( -0.554 2.811 -5.644) 6.329 3.768 ( -1.206 1.473 -1.445) 2.390 3.840 ( -3.906 -6.441 -2.412) 7.910 4.007 ( 0.640 3.382 0.959) 3.573 8.252 ( -5.802 -2.780 0.174) 6.436 8.820 ( 12.905 -1.364 0.606) 12.991 10.092 ( -10.987 3.434 -6.650) 13.294 10.424 ( 0.647 -11.876 3.819) 12.492 15.136 ( -3.700 -4.059 -1.879) 5.805 16.547 ( 4.626 1.621 -0.236) 4.908 ======================= Grid point 293 (127/429) ======================= q-point: ( 0.43 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( -7.468 0.000 8.060) 10.988 0.743 ( 0.081 -0.000 1.069) 1.072 1.313 ( -0.953 0.000 0.354) 1.017 1.449 ( -0.422 0.000 -1.101) 1.179 1.801 ( 1.023 -0.000 0.090) 1.027 1.913 ( 15.699 -0.000 -3.747) 16.140 2.332 ( -0.257 0.000 -1.021) 1.053 2.432 ( 1.899 -0.000 -2.726) 3.322 2.991 ( 0.123 -0.000 -0.472) 0.488 3.012 ( -0.633 0.000 1.749) 1.861 3.150 ( -3.293 0.000 6.361) 7.163 3.166 ( 0.694 -0.000 -2.454) 2.550 3.983 ( 0.262 -0.000 -0.615) 0.668 4.031 ( -0.713 0.000 -2.618) 2.713 4.258 ( -1.528 0.000 0.012) 1.528 7.571 ( -5.238 0.000 0.057) 5.238 9.486 ( 2.963 -0.000 -0.197) 2.969 9.846 ( 12.091 -0.000 1.340) 12.165 10.731 ( -19.750 0.000 1.900) 19.841 15.649 ( -0.661 0.000 -4.276) 4.327 17.442 ( 4.579 -0.000 1.393) 4.786 ======================= Grid point 294 (128/429) ======================= q-point: (-0.50 -0.57 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( -6.248 -3.385 6.695) 9.764 0.884 ( -0.143 -12.948 0.799) 12.974 1.257 ( -2.712 1.841 -1.792) 3.735 1.504 ( -0.560 -3.099 -1.462) 3.472 1.860 ( 2.038 -7.132 -1.040) 7.491 2.035 ( 9.968 -5.334 -3.490) 11.832 2.333 ( -1.450 -0.316 1.045) 1.815 2.374 ( 3.278 6.976 -0.629) 7.734 2.958 ( -2.141 1.262 -0.266) 2.499 3.054 ( -1.565 -3.439 -1.171) 3.955 3.167 ( -1.505 -1.683 5.078) 5.557 3.217 ( 1.156 -4.832 -0.312) 4.978 3.931 ( 1.033 5.820 -4.627) 7.507 4.003 ( -1.591 1.793 -0.065) 2.398 4.136 ( 0.267 10.471 1.921) 10.650 7.673 ( -1.826 -12.364 0.714) 12.518 9.415 ( 0.848 8.424 -0.506) 8.482 9.887 ( 5.845 2.382 0.794) 6.362 10.670 ( -12.717 -3.877 -0.589) 13.308 15.561 ( 0.575 7.289 -3.790) 8.235 17.435 ( 3.079 4.205 2.585) 5.817 ======================= Grid point 295 (129/429) ======================= q-point: (-0.43 -0.57 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( -3.642 -8.259 4.721) 10.187 1.157 ( -1.509 -15.423 0.457) 15.503 1.230 ( -2.610 -1.604 -2.792) 4.145 1.509 ( 0.447 0.944 -1.119) 1.531 2.051 ( -3.292 -11.090 -3.263) 12.020 2.156 ( -1.688 0.310 -2.747) 3.239 2.220 ( 10.547 3.865 -0.402) 11.240 2.370 ( 1.914 -1.462 4.198) 4.840 2.924 ( -3.313 0.246 -0.808) 3.419 3.089 ( -2.493 -1.848 -2.126) 3.761 3.244 ( 0.226 -4.487 5.076) 6.778 3.335 ( 1.557 -6.744 -0.145) 6.923 3.732 ( 2.892 13.239 -3.909) 14.103 3.924 ( -3.269 4.407 1.587) 5.712 4.021 ( 2.102 4.228 2.578) 5.379 7.961 ( 2.867 -16.435 3.054) 16.961 9.209 ( -0.794 12.862 -0.926) 12.920 9.844 ( -0.219 3.822 0.887) 3.930 10.692 ( -5.087 -4.054 -2.918) 7.129 15.384 ( 1.481 10.621 -1.812) 10.876 17.346 ( 1.063 7.840 2.651) 8.344 ======================= Grid point 296 (130/429) ======================= q-point: (-0.36 -0.57 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -0.916 -9.552 3.534) 10.226 1.246 ( -3.641 -2.712 -2.701) 5.283 1.345 ( -7.969 -5.886 -2.055) 10.118 1.554 ( 6.738 -6.502 1.570) 9.494 1.914 ( 0.099 12.436 1.059) 12.482 2.218 ( -7.060 -5.463 -0.688) 8.953 2.338 ( 7.297 -4.116 -2.466) 8.734 2.497 ( 4.301 -9.822 1.436) 10.818 2.910 ( -3.468 -1.169 -0.928) 3.776 3.056 ( -3.610 2.141 -3.698) 5.594 3.346 ( -0.280 -3.885 4.326) 5.822 3.463 ( 2.865 -4.164 0.435) 5.073 3.563 ( 5.254 4.703 2.396) 7.447 3.855 ( -1.820 1.857 2.054) 3.314 3.974 ( 0.835 3.072 1.906) 3.710 8.284 ( 4.901 -12.569 5.937) 14.740 8.963 ( 2.181 12.703 -0.805) 12.914 9.775 ( -3.466 2.327 1.477) 4.428 10.702 ( -1.455 -0.337 -4.444) 4.689 15.203 ( 2.086 9.316 0.580) 9.564 17.190 ( -1.103 9.881 1.964) 10.134 ======================= Grid point 297 (131/429) ======================= q-point: (-0.29 -0.57 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -0.591 -7.131 2.014) 7.433 1.235 ( -6.737 -1.166 0.135) 6.839 1.387 ( -3.935 -5.986 -3.008) 7.769 1.738 ( 11.749 4.667 2.269) 12.843 1.767 ( -0.177 -5.125 2.733) 5.811 2.228 ( -10.790 -2.318 0.837) 11.068 2.409 ( 6.888 -0.079 -0.976) 6.957 2.727 ( 4.457 -10.649 -2.777) 11.874 2.860 ( -4.558 4.285 -3.576) 7.206 3.021 ( -3.225 -4.006 -0.831) 5.210 3.418 ( -0.739 -3.230 2.535) 4.172 3.492 ( 4.647 2.000 5.559) 7.517 3.638 ( 4.042 -4.132 1.783) 6.049 3.859 ( -0.375 -1.894 3.239) 3.771 3.935 ( -0.080 2.022 1.527) 2.535 8.451 ( -4.615 -1.059 5.579) 7.317 8.824 ( 14.927 6.555 1.090) 16.339 9.752 ( -4.533 -2.025 2.447) 5.535 10.645 ( -0.142 3.999 -4.471) 6.000 15.085 ( 2.468 5.447 2.007) 6.308 17.000 ( -2.590 9.862 1.200) 10.267 ======================= Grid point 298 (132/429) ======================= q-point: (-0.21 -0.57 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -3.501 -2.888 0.119) 4.540 1.266 ( -2.186 -4.527 1.551) 5.261 1.477 ( -2.111 -5.672 -1.045) 6.142 1.729 ( 8.017 -0.594 0.207) 8.042 1.910 ( 4.217 -3.540 3.722) 6.645 2.196 ( -9.895 -0.736 1.016) 9.974 2.432 ( 3.810 0.196 -0.152) 3.818 2.727 ( -2.692 5.518 -2.193) 6.520 2.876 ( 5.461 -3.828 -5.224) 8.472 3.125 ( -5.121 -9.034 -0.097) 10.385 3.470 ( 2.408 -0.500 1.081) 2.686 3.526 ( 0.794 -1.976 6.246) 6.599 3.714 ( 3.218 -0.978 0.181) 3.369 3.897 ( -0.306 1.759 3.838) 4.233 3.946 ( 0.071 -4.160 2.159) 4.688 8.369 ( -7.818 4.708 2.832) 9.556 8.853 ( 17.068 4.142 2.741) 17.776 9.821 ( -3.498 -6.617 3.129) 8.113 10.528 ( 0.369 6.815 -3.149) 7.516 15.044 ( 2.382 1.792 1.857) 3.512 16.819 ( -2.793 8.173 0.668) 8.663 ======================= Grid point 299 (133/429) ======================= q-point: (-0.14 -0.57 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -4.117 -1.157 -0.786) 4.348 1.350 ( 1.752 -3.523 0.453) 3.961 1.534 ( -2.233 -1.635 1.029) 2.953 1.836 ( 8.170 -4.500 -2.494) 9.655 1.983 ( 3.251 -1.255 4.098) 5.380 2.145 ( -7.944 0.654 0.379) 7.980 2.461 ( -1.310 -2.410 -0.793) 2.855 2.611 ( 1.569 6.242 0.245) 6.441 2.919 ( 4.256 -0.655 -4.115) 5.956 3.246 ( -4.613 -6.614 -0.922) 8.116 3.489 ( 3.356 -0.025 -0.348) 3.374 3.612 ( -0.365 -4.241 3.879) 5.759 3.713 ( 2.273 2.264 -1.827) 3.692 3.864 ( -1.843 2.667 3.554) 4.811 4.029 ( 0.201 -2.887 2.359) 3.734 8.259 ( -5.888 3.237 1.620) 6.912 8.875 ( 12.796 3.872 1.722) 13.479 9.953 ( -4.354 -8.235 2.044) 9.537 10.391 ( 1.447 7.041 -1.385) 7.320 15.050 ( 1.458 -0.302 0.703) 1.647 16.680 ( -1.587 5.566 0.228) 5.793 ======================= Grid point 300 (134/429) ======================= q-point: (-0.07 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -2.947 -0.610 -1.013) 3.176 1.401 ( 2.933 0.074 -0.455) 2.969 1.518 ( -1.543 2.166 0.981) 2.835 1.911 ( 6.423 0.425 -1.428) 6.593 2.054 ( 1.299 -2.450 0.881) 2.910 2.085 ( -4.621 1.311 -0.266) 4.811 2.430 ( -1.733 4.974 -0.234) 5.272 2.573 ( 1.505 -1.533 0.066) 2.149 2.943 ( 3.735 -0.861 -1.572) 4.143 3.289 ( -3.507 -1.000 -0.775) 3.728 3.513 ( 3.416 -0.730 -2.781) 4.464 3.625 ( 0.717 4.379 -2.977) 5.343 3.720 ( -0.859 -4.192 1.089) 4.416 3.805 ( -2.347 3.402 2.150) 4.658 4.058 ( -0.182 0.711 1.237) 1.439 8.200 ( -4.152 0.372 0.687) 4.225 8.894 ( 9.556 1.514 0.611) 9.695 10.028 ( -9.432 -2.177 -2.582) 10.018 10.329 ( 4.115 -0.608 2.071) 4.647 15.069 ( -0.377 -1.197 -0.418) 1.323 16.601 ( 0.817 2.598 -0.336) 2.744 ======================= Grid point 308 (135/429) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( -5.760 0.000 7.745) 9.652 0.741 ( -1.476 0.000 0.390) 1.526 1.254 ( -5.098 0.000 -4.565) 6.843 1.439 ( 0.515 -0.000 -1.316) 1.413 1.806 ( -0.217 0.000 -0.078) 0.230 2.008 ( 2.174 -0.000 -4.187) 4.718 2.352 ( 5.248 -0.000 3.325) 6.213 2.462 ( 4.450 -0.000 -0.251) 4.457 2.956 ( -3.607 0.000 -2.780) 4.554 2.991 ( -3.269 0.000 -0.750) 3.354 3.168 ( -2.481 0.000 6.656) 7.103 3.172 ( 2.520 -0.000 -1.196) 2.789 3.967 ( 1.402 -0.000 -5.415) 5.593 4.013 ( -1.476 0.000 0.401) 1.530 4.255 ( 0.712 -0.000 0.590) 0.925 7.544 ( 0.383 -0.000 0.517) 0.643 9.499 ( -0.309 0.000 -0.647) 0.716 9.929 ( -1.618 0.000 0.475) 1.686 10.560 ( -5.771 0.000 -2.687) 6.366 15.621 ( 1.975 -0.000 -4.655) 5.056 17.504 ( 1.993 -0.000 4.067) 4.529 ======================= Grid point 309 (136/429) ======================= q-point: (-0.43 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( -4.415 -3.298 6.810) 8.760 0.873 ( -2.603 -13.062 0.440) 13.326 1.187 ( -3.876 0.414 -4.527) 5.974 1.488 ( 0.317 -3.087 -1.853) 3.615 1.846 ( -2.438 -5.858 -1.273) 6.471 2.027 ( -6.050 -4.966 -3.447) 8.553 2.410 ( 3.396 1.867 4.020) 5.584 2.427 ( 11.380 5.214 0.517) 12.529 2.901 ( -5.218 0.826 -2.454) 5.826 3.012 ( -2.987 -3.643 -2.041) 5.134 3.192 ( -0.926 -2.489 4.677) 5.378 3.239 ( 1.540 -4.563 1.337) 4.998 3.905 ( 2.922 5.682 -7.598) 9.927 3.977 ( -3.249 2.779 0.564) 4.312 4.172 ( 2.002 8.222 3.171) 9.036 7.698 ( 4.293 -13.999 1.790) 14.751 9.402 ( -1.879 8.736 -1.043) 8.997 9.878 ( -8.284 1.741 0.369) 8.473 10.582 ( 1.936 -4.067 -4.413) 6.306 15.552 ( 2.881 6.784 -3.858) 8.319 17.485 ( 0.434 4.916 4.485) 6.669 ======================= Grid point 310 (137/429) ======================= q-point: (-0.36 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( -1.422 -8.892 4.982) 10.291 1.092 ( -7.856 -10.873 -0.762) 13.436 1.190 ( -0.399 -4.522 -3.208) 5.558 1.515 ( 1.610 -1.441 -0.899) 2.341 1.942 ( -9.467 -6.299 -2.041) 11.552 2.111 ( -2.294 -8.872 -2.494) 9.497 2.279 ( -0.498 7.538 0.076) 7.554 2.512 ( 14.130 -0.202 3.819) 14.638 2.859 ( -5.178 -0.842 -1.730) 5.524 3.031 ( -3.953 -0.870 -2.655) 4.841 3.285 ( -0.263 -4.777 5.211) 7.074 3.356 ( 1.656 -6.713 0.309) 6.921 3.748 ( 4.886 9.160 -3.393) 10.922 3.897 ( -2.549 3.318 0.430) 4.206 4.072 ( 1.801 5.633 3.986) 7.132 8.063 ( 8.371 -17.820 4.844) 20.275 9.194 ( 0.269 11.406 -1.188) 11.471 9.787 ( -9.903 2.192 0.659) 10.164 10.653 ( 3.907 -2.993 -5.527) 7.401 15.400 ( 3.256 9.832 -1.729) 10.500 17.366 ( -2.013 9.008 3.700) 9.944 ======================= Grid point 311 (138/429) ======================= q-point: (-0.29 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 0.481 -9.338 3.054) 9.836 1.151 ( -9.194 -3.214 -0.893) 9.781 1.258 ( -2.681 -4.489 -2.854) 5.957 1.633 ( 4.206 -8.739 1.379) 9.796 1.917 ( -1.197 3.858 0.280) 4.049 2.128 ( -7.833 0.982 1.050) 7.964 2.333 ( -1.068 -10.866 -4.306) 11.737 2.627 ( 12.099 -2.618 2.586) 12.646 2.848 ( -5.026 -0.993 -1.118) 5.244 2.972 ( -5.153 1.580 -4.007) 6.716 3.366 ( -1.342 -2.979 3.417) 4.727 3.498 ( 2.074 -6.012 0.639) 6.392 3.677 ( 8.614 3.027 4.714) 10.276 3.849 ( -1.335 0.633 1.151) 1.873 4.004 ( 0.781 4.147 2.995) 5.175 8.390 ( 3.562 -8.278 6.157) 10.915 9.038 ( 11.457 7.333 0.162) 13.604 9.701 ( -10.259 0.189 1.425) 10.359 10.676 ( 3.649 0.682 -5.579) 6.701 15.243 ( 3.466 8.648 0.559) 9.333 17.174 ( -4.493 10.627 2.404) 11.785 ======================= Grid point 312 (139/429) ======================= q-point: (-0.21 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -1.023 -4.818 0.321) 4.935 1.153 ( -7.196 -4.572 1.379) 8.636 1.345 ( 0.239 -6.597 -1.893) 6.868 1.777 ( -0.273 -1.261 2.190) 2.542 1.891 ( 9.077 -1.655 1.752) 9.392 2.096 ( -11.387 -3.023 0.542) 11.794 2.444 ( 0.846 -2.037 -2.041) 3.005 2.752 ( -4.235 -1.200 0.724) 4.461 2.815 ( 8.242 -2.252 -4.950) 9.874 2.955 ( -6.001 -4.808 -1.086) 7.766 3.429 ( -0.899 -3.476 2.553) 4.405 3.574 ( 2.356 -0.346 2.928) 3.774 3.733 ( 7.286 0.063 5.289) 9.003 3.876 ( -0.688 -3.332 1.781) 3.840 3.958 ( 1.197 2.698 3.091) 4.274 8.425 ( -4.792 3.655 3.474) 6.956 9.050 ( 17.285 4.565 2.251) 18.019 9.703 ( -5.274 -5.057 2.897) 7.860 10.628 ( 2.944 4.447 -4.020) 6.679 15.139 ( 3.786 5.453 1.852) 6.892 16.960 ( -5.755 9.629 1.256) 11.287 ======================= Grid point 313 (140/429) ======================= q-point: (-0.14 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -2.231 -1.800 -0.787) 2.973 1.248 ( -2.262 -7.128 0.464) 7.493 1.461 ( -0.126 -5.300 0.356) 5.314 1.804 ( 4.352 -2.249 0.155) 4.901 1.991 ( 1.972 -2.175 2.435) 3.814 2.094 ( -5.835 -1.857 1.219) 6.243 2.429 ( -3.228 0.772 -1.376) 3.593 2.694 ( -1.491 2.485 0.031) 2.898 2.895 ( 4.271 -1.731 -6.891) 8.290 3.072 ( -2.298 -9.422 1.280) 9.782 3.495 ( 0.578 -2.375 1.017) 2.648 3.596 ( 2.137 -0.062 4.582) 5.056 3.770 ( 5.179 1.966 2.546) 6.097 3.916 ( -1.161 1.014 1.822) 2.387 3.971 ( 0.965 -2.793 3.598) 4.656 8.316 ( -4.176 5.171 1.961) 6.930 9.037 ( 8.460 5.672 1.562) 10.304 9.820 ( 1.403 -6.336 2.409) 6.922 10.527 ( 2.341 6.752 -1.097) 7.231 15.096 ( 3.825 2.841 1.841) 5.108 16.775 ( -5.309 6.979 0.383) 8.777 ======================= Grid point 314 (141/429) ======================= q-point: (-0.07 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -0.607 -0.851 -1.087) 1.508 1.360 ( 0.197 -5.316 -0.771) 5.375 1.518 ( -2.159 -1.167 1.679) 2.974 1.907 ( 6.170 -4.398 -2.868) 8.102 2.011 ( -4.918 -0.838 0.795) 5.052 2.101 ( 1.681 0.497 3.024) 3.495 2.400 ( -5.956 -1.652 -1.565) 6.376 2.639 ( 1.283 4.042 0.773) 4.311 2.909 ( 0.235 -1.892 -5.884) 6.185 3.222 ( 1.329 -5.770 1.254) 6.053 3.520 ( 2.228 0.049 -0.888) 2.399 3.654 ( 1.381 -2.690 3.928) 4.957 3.738 ( 4.301 5.072 -0.338) 6.658 3.874 ( -1.313 3.727 3.545) 5.309 4.036 ( -1.475 -2.611 1.400) 3.310 8.221 ( -2.357 3.480 1.101) 4.345 8.984 ( 2.565 3.612 0.649) 4.478 9.930 ( 1.290 -3.635 -1.219) 4.045 10.419 ( 2.246 5.956 2.361) 6.789 15.084 ( 2.963 1.663 1.118) 3.577 16.649 ( -3.369 3.691 -0.383) 5.012 ======================= Grid point 323 (142/429) ======================= q-point: (-0.43 -0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( -4.360 0.000 8.691) 9.724 0.713 ( -3.333 0.000 -0.254) 3.343 1.146 ( -4.564 0.000 -5.495) 7.143 1.440 ( 1.380 -0.000 -1.495) 2.035 1.794 ( -1.473 0.000 -0.163) 1.482 1.905 ( -11.955 0.000 -3.379) 12.423 2.471 ( 3.465 -0.000 4.328) 5.544 2.551 ( 12.759 -0.000 0.662) 12.776 2.869 ( -5.510 0.000 -4.103) 6.870 2.932 ( -4.362 0.000 -1.848) 4.738 3.193 ( -3.226 0.000 7.805) 8.446 3.201 ( 3.271 -0.000 -0.721) 3.349 3.939 ( 3.778 -0.000 -9.325) 10.061 3.985 ( -3.818 0.000 0.135) 3.820 4.284 ( 1.934 -0.000 2.306) 3.010 7.587 ( 5.754 -0.000 0.716) 5.799 9.470 ( -3.484 0.000 -0.901) 3.598 9.813 ( -15.416 0.000 -0.079) 15.416 10.558 ( 8.893 -0.000 -5.654) 10.538 15.619 ( 3.799 -0.000 -4.805) 6.125 17.556 ( 0.110 -0.000 5.696) 5.697 ======================= Grid point 324 (143/429) ======================= q-point: (-0.36 -0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( -3.196 -3.525 7.064) 8.517 0.823 ( -5.837 -11.892 -0.434) 13.254 1.119 ( -0.761 -1.688 -3.195) 3.692 1.482 ( 1.077 -2.683 -1.903) 3.461 1.770 ( -9.408 -2.750 -1.500) 9.915 1.910 ( -7.254 -7.641 -2.083) 10.740 2.425 ( -2.192 6.991 0.930) 7.385 2.628 ( 15.246 0.903 2.957) 15.556 2.812 ( -4.929 0.211 -2.663) 5.606 2.954 ( -3.681 -3.889 -2.413) 5.873 3.220 ( -1.364 -3.106 5.908) 6.813 3.269 ( 1.370 -4.162 1.530) 4.640 3.879 ( 3.848 4.676 -9.396) 11.178 3.935 ( -3.310 2.387 -0.751) 4.149 4.228 ( 1.998 7.144 4.267) 8.558 7.801 ( 9.921 -16.501 2.270) 19.387 9.359 ( -3.673 7.696 -1.054) 8.592 9.727 ( -15.083 -0.549 0.014) 15.093 10.618 ( 9.463 -2.239 -6.244) 11.556 15.564 ( 4.040 6.265 -4.070) 8.493 17.518 ( -1.517 6.278 5.452) 8.452 ======================= Grid point 325 (144/429) ======================= q-point: (-0.29 -0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( -0.708 -9.337 4.120) 10.231 0.981 ( -8.867 -8.982 -0.916) 12.654 1.169 ( 0.724 -3.452 -1.436) 3.808 1.526 ( 0.961 -4.445 -0.985) 4.653 1.808 ( -10.409 -7.144 -0.696) 12.644 2.059 ( -2.949 -12.665 -2.532) 13.248 2.237 ( -5.394 9.519 -0.874) 10.975 2.715 ( 12.566 0.471 3.160) 12.966 2.791 ( -2.509 -1.030 -0.921) 2.864 2.949 ( -6.045 0.555 -2.948) 6.749 3.316 ( -1.624 -3.554 4.703) 6.115 3.379 ( 1.911 -7.154 0.145) 7.407 3.797 ( 5.802 3.183 -1.292) 6.743 3.872 ( -0.251 2.264 -1.554) 2.757 4.124 ( 0.988 6.685 4.683) 8.222 8.227 ( 11.644 -16.945 5.003) 21.160 9.212 ( 4.803 5.969 -0.602) 7.685 9.638 ( -14.220 0.536 0.138) 14.231 10.680 ( 7.391 -1.154 -5.733) 9.424 15.428 ( 3.834 8.921 -2.180) 9.952 17.356 ( -5.021 10.821 3.952) 12.567 ======================= Grid point 326 (145/429) ======================= q-point: (-0.21 -0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -0.055 -8.545 0.675) 8.572 1.030 ( -9.858 -3.937 0.251) 10.618 1.239 ( 2.030 -4.819 -0.444) 5.248 1.678 ( 1.578 -9.015 0.911) 9.198 1.871 ( -7.309 -5.441 0.482) 9.125 2.053 ( -4.342 5.542 -0.782) 7.084 2.282 ( -1.789 -12.729 -2.998) 13.199 2.747 ( -4.088 1.605 2.302) 4.959 2.824 ( 8.488 -1.109 1.348) 8.666 2.870 ( -4.908 0.418 -5.438) 7.337 3.370 ( -1.907 -3.031 2.553) 4.397 3.522 ( 1.218 -5.963 0.286) 6.093 3.813 ( 2.100 -0.130 3.080) 3.730 3.865 ( 7.823 0.675 2.693) 8.302 4.039 ( 0.534 4.473 3.613) 5.775 8.457 ( 1.110 -1.083 3.849) 4.149 9.228 ( 16.110 2.578 0.812) 16.335 9.585 ( -7.549 -4.515 1.613) 8.943 10.694 ( 5.334 1.794 -3.917) 6.856 15.290 ( 4.046 7.625 -0.104) 8.632 17.117 ( -8.205 11.397 2.206) 14.216 ======================= Grid point 327 (146/429) ======================= q-point: (-0.14 -0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -0.998 -3.559 -1.477) 3.981 1.088 ( -5.159 -7.621 0.626) 9.224 1.362 ( 2.784 -6.023 1.007) 6.711 1.790 ( -0.228 -1.955 1.644) 2.564 1.917 ( -9.635 -4.623 0.598) 10.703 2.033 ( 4.140 -3.510 -0.157) 5.430 2.408 ( -3.584 -2.136 -1.984) 4.620 2.683 ( -6.370 -0.296 0.777) 6.424 2.849 ( -4.078 -2.258 -5.031) 6.858 2.940 ( 9.362 -5.098 1.397) 10.751 3.436 ( -1.013 -3.920 2.009) 4.519 3.599 ( 0.231 -2.165 0.317) 2.201 3.852 ( -0.354 -2.598 1.869) 3.220 3.898 ( 6.323 3.448 5.813) 9.255 4.016 ( 4.141 1.308 3.153) 5.367 8.404 ( -2.084 5.276 1.949) 5.998 9.183 ( 0.209 6.543 0.160) 6.548 9.749 ( 11.912 -7.089 2.525) 14.090 10.649 ( 3.696 4.828 -0.766) 6.129 15.204 ( 4.884 5.019 1.255) 7.115 16.879 ( -9.104 8.976 0.836) 12.812 ======================= Grid point 328 (147/429) ======================= q-point: (-0.07 -0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 1.238 -2.071 -1.471) 2.826 1.220 ( -1.973 -8.357 -0.676) 8.613 1.471 ( -0.263 -3.664 1.882) 4.128 1.838 ( 1.041 -3.819 -0.631) 4.008 1.943 ( -6.246 -3.472 0.277) 7.152 2.126 ( 4.527 -1.795 1.716) 5.163 2.350 ( -7.557 1.459 -1.104) 7.776 2.681 ( -1.470 -0.166 0.768) 1.667 2.843 ( -3.381 -1.877 -5.749) 6.929 3.121 ( 7.182 -7.584 1.697) 10.582 3.503 ( 0.017 -2.645 0.162) 2.650 3.633 ( 0.542 -1.697 0.879) 1.987 3.876 ( 3.827 4.234 4.375) 7.191 3.902 ( -0.043 -1.583 1.383) 2.103 4.023 ( 2.852 1.974 3.106) 4.656 8.299 ( -0.685 5.312 1.110) 5.470 9.053 ( -6.236 4.867 0.056) 7.910 9.918 ( 13.204 -2.068 -0.892) 13.394 10.563 ( 2.268 6.640 3.005) 7.633 15.165 ( 5.273 3.546 1.590) 6.551 16.697 ( -7.711 5.315 -0.203) 9.368 ======================= Grid point 338 (148/429) ======================= q-point: (-0.36 -0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( -7.273 0.000 6.833) 9.979 0.655 ( -5.572 0.000 -0.854) 5.637 1.097 ( 2.102 -0.000 -0.717) 2.221 1.448 ( 2.079 -0.000 -1.657) 2.658 1.695 ( -18.165 0.000 -3.171) 18.440 1.769 ( -2.542 0.000 -0.119) 2.545 2.495 ( -2.033 0.000 0.562) 2.109 2.720 ( 5.859 -0.000 2.779) 6.484 2.797 ( 4.587 -0.000 -3.711) 5.900 2.864 ( -4.209 0.000 -1.793) 4.575 3.216 ( -4.658 0.000 9.918) 10.957 3.237 ( 3.492 -0.000 -0.562) 3.537 3.894 ( 0.233 -0.000 -10.087) 10.090 3.934 ( -0.689 0.000 -3.926) 3.986 4.332 ( 1.832 -0.000 3.713) 4.141 7.689 ( 10.227 -0.000 0.546) 10.242 9.402 ( -6.449 0.000 -0.877) 6.508 9.615 ( -16.210 0.000 0.491) 16.217 10.635 ( 11.150 -0.000 -6.872) 13.097 15.630 ( 4.376 -0.000 -5.034) 6.670 17.600 ( -0.662 0.000 6.160) 6.195 ======================= Grid point 339 (149/429) ======================= q-point: (-0.29 -0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( -5.753 -5.598 4.575) 9.239 0.733 ( -7.523 -10.709 -0.950) 13.121 1.140 ( 5.202 -1.429 1.846) 5.702 1.467 ( -3.030 -0.699 -2.629) 4.072 1.606 ( -12.371 -5.950 -1.292) 13.788 1.834 ( -4.059 -8.004 -1.029) 9.033 2.367 ( -6.399 9.040 -2.355) 11.323 2.729 ( -3.459 -0.495 1.642) 3.861 2.848 ( 14.378 0.721 -0.442) 14.403 2.885 ( -4.821 -2.983 -1.393) 5.837 3.255 ( -2.298 -3.547 8.120) 9.154 3.293 ( 1.599 -3.301 -0.061) 3.668 3.834 ( -2.105 1.068 -4.805) 5.353 3.904 ( 3.860 1.374 -7.056) 8.159 4.283 ( 0.980 6.937 4.756) 8.468 7.970 ( 15.034 -19.584 2.240) 24.791 9.305 ( -3.673 4.018 -0.696) 5.488 9.546 ( -14.599 -1.149 0.541) 14.654 10.685 ( 9.354 -1.115 -5.957) 11.146 15.579 ( 4.028 5.853 -4.466) 8.392 17.534 ( -3.108 8.688 5.039) 10.513 ======================= Grid point 340 (150/429) ======================= q-point: (-0.21 -0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( -2.699 -10.248 1.246) 10.670 0.869 ( -9.082 -7.900 -0.163) 12.038 1.200 ( 4.491 -1.631 1.619) 5.044 1.496 ( -5.820 -8.752 -1.234) 10.583 1.704 ( -5.276 -7.554 0.623) 9.235 1.996 ( -3.689 -12.037 -3.519) 13.072 2.152 ( -6.545 6.724 -1.229) 9.464 2.723 ( -4.880 -0.568 1.613) 5.171 2.836 ( -7.813 1.835 -4.018) 8.976 2.921 ( 12.803 1.589 2.552) 13.151 3.317 ( -2.549 -2.267 2.087) 3.999 3.406 ( 1.950 -7.091 0.736) 7.391 3.811 ( -2.717 -0.007 0.398) 2.747 3.924 ( 11.242 -1.945 -2.508) 11.682 4.169 ( 0.010 7.292 5.036) 8.862 8.406 ( 11.409 -11.008 3.823) 16.308 9.316 ( 12.724 -3.267 -0.664) 13.154 9.471 ( -12.184 -1.360 0.575) 12.273 10.730 ( 6.679 -0.199 -2.974) 7.313 15.453 ( 3.642 7.866 -2.877) 9.133 17.301 ( -9.075 13.238 2.815) 16.294 ======================= Grid point 341 (151/429) ======================= q-point: (-0.14 -0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -0.994 -8.154 -1.759) 8.400 0.922 ( -8.412 -6.030 0.387) 10.357 1.299 ( 5.749 -4.232 2.857) 7.689 1.665 ( -6.163 -11.675 -0.321) 13.206 1.779 ( -6.170 -3.113 1.288) 7.030 2.009 ( -0.373 -0.502 -3.487) 3.543 2.246 ( -2.055 -11.667 -0.324) 11.851 2.664 ( -9.874 2.940 1.263) 10.380 2.758 ( -6.515 -1.255 -2.584) 7.120 2.981 ( 12.402 0.373 0.442) 12.415 3.364 ( -1.911 -3.675 1.709) 4.481 3.530 ( 0.301 -5.053 -0.518) 5.088 3.804 ( -2.230 -1.132 0.063) 2.502 4.044 ( 13.472 -0.576 3.579) 13.951 4.071 ( -0.229 4.539 4.101) 6.122 8.492 ( 1.322 3.466 2.084) 4.255 9.268 ( -8.858 5.750 -1.103) 10.618 9.704 ( 24.465 -11.235 0.758) 26.932 10.741 ( 4.605 2.382 1.123) 5.305 15.338 ( 4.625 6.117 -0.835) 7.714 17.005 ( -12.794 11.601 1.081) 17.304 ======================= Grid point 342 (152/429) ======================= q-point: (-0.07 -0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 1.063 -4.697 -2.134) 5.267 1.038 ( -3.209 -9.376 -0.227) 9.913 1.415 ( 2.616 -3.639 2.852) 5.312 1.772 ( -8.318 -3.197 -0.345) 8.918 1.811 ( -2.100 -6.388 0.520) 6.744 2.087 ( 4.361 -5.264 -1.278) 6.954 2.334 ( -6.863 0.415 -0.275) 6.881 2.621 ( -5.313 -4.031 1.447) 6.824 2.750 ( -6.077 -2.604 -2.998) 7.259 3.078 ( 11.092 -3.394 0.467) 11.608 3.436 ( -0.958 -4.218 1.065) 4.454 3.593 ( -0.502 -2.684 -1.147) 2.962 3.823 ( -3.564 -2.479 -0.150) 4.344 4.017 ( 2.672 3.699 5.821) 7.397 4.119 ( 9.799 2.326 1.856) 10.241 8.409 ( 0.962 5.850 1.025) 6.016 9.092 ( -11.728 5.666 -0.802) 13.050 9.983 ( 23.353 -2.946 -2.612) 23.682 10.705 ( 2.903 5.275 5.000) 7.826 15.278 ( 6.219 4.233 0.671) 7.553 16.753 ( -12.287 7.482 -0.001) 14.386 ======================= Grid point 353 (153/429) ======================= q-point: (-0.29 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.373 ( -11.328 0.000 4.243) 12.097 0.565 ( -8.088 0.000 -1.104) 8.163 1.191 ( 9.312 -0.000 5.386) 10.757 1.421 ( -22.744 0.000 -3.467) 23.007 1.462 ( 2.573 -0.000 -1.782) 3.130 1.733 ( -3.184 0.000 0.115) 3.186 2.431 ( -5.293 0.000 -4.911) 7.220 2.714 ( -3.184 0.000 3.067) 4.420 2.806 ( -3.282 0.000 -1.068) 3.452 2.933 ( 13.387 -0.000 -1.706) 13.495 3.244 ( -4.752 0.000 11.237) 12.201 3.274 ( 3.345 -0.000 -0.478) 3.378 3.787 ( -6.250 0.000 -6.002) 8.665 3.906 ( 4.973 -0.000 -10.225) 11.371 4.382 ( 0.757 -0.000 4.612) 4.674 7.836 ( 13.519 -0.000 0.118) 13.519 9.302 ( -9.122 0.000 -0.578) 9.140 9.450 ( -12.546 0.000 2.036) 12.710 10.707 ( 8.929 -0.000 -5.218) 10.342 15.640 ( 4.060 -0.000 -5.192) 6.591 17.637 ( -0.507 0.000 4.596) 4.624 ======================= Grid point 354 (154/429) ======================= q-point: (-0.21 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.406 ( -8.155 -8.489 2.762) 12.091 0.635 ( -8.048 -10.923 -0.255) 13.570 1.244 ( 0.067 2.120 0.233) 2.134 1.301 ( -11.069 -4.519 1.987) 12.120 1.551 ( 1.659 -7.319 -0.665) 7.534 1.782 ( -3.604 -7.061 -0.659) 7.955 2.245 ( -8.141 9.730 -5.536) 13.842 2.704 ( -3.838 0.317 3.208) 5.012 2.798 ( -6.224 0.269 -3.010) 6.919 3.017 ( 12.114 -0.637 0.869) 12.162 3.276 ( -2.777 -1.331 2.916) 4.241 3.319 ( 2.415 -3.689 1.533) 4.668 3.768 ( -5.162 -2.853 0.359) 5.909 3.915 ( 8.898 -2.515 -9.028) 12.923 4.327 ( -0.274 7.036 5.198) 8.752 8.199 ( 20.224 -22.501 1.875) 30.312 9.267 ( -1.142 -4.207 -1.005) 4.474 9.395 ( -11.687 -0.022 1.775) 11.822 10.750 ( 6.836 -0.848 -1.094) 6.975 15.587 ( 3.471 5.612 -4.720) 8.114 17.512 ( -5.969 13.031 1.905) 14.459 ======================= Grid point 355 (155/429) ======================= q-point: (-0.14 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( -3.244 -11.597 0.070) 12.042 0.754 ( -9.962 -6.915 -0.102) 12.127 1.273 ( 1.055 -6.770 0.470) 6.868 1.390 ( -6.797 -7.939 2.743) 10.805 1.693 ( 0.995 -5.569 0.963) 5.739 1.913 ( -3.789 -8.086 -5.518) 10.497 2.076 ( -5.147 -1.354 0.250) 5.328 2.662 ( -9.579 2.656 0.965) 9.987 2.711 ( -6.359 1.059 -2.067) 6.770 3.078 ( 10.562 1.661 1.137) 10.752 3.296 ( -1.952 -2.721 0.141) 3.352 3.432 ( 1.310 -5.601 0.439) 5.769 3.776 ( -2.590 -0.695 -0.438) 2.717 4.045 ( 9.524 -4.891 -1.781) 10.854 4.219 ( 2.597 6.228 5.631) 8.788 8.550 ( 8.099 -1.949 2.277) 8.636 9.288 ( -11.187 3.644 -0.193) 11.767 9.594 ( 28.532 -18.977 -3.335) 34.428 10.805 ( 4.966 0.137 5.781) 7.622 15.472 ( 3.741 6.465 -3.130) 8.099 17.165 ( -15.899 15.286 -0.306) 22.058 ======================= Grid point 356 (156/429) ======================= q-point: (-0.07 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -0.507 -8.401 -2.014) 8.654 0.837 ( -5.975 -9.403 0.474) 11.151 1.406 ( 6.326 -1.742 4.226) 7.805 1.535 ( -11.387 -13.112 -1.116) 17.402 1.752 ( -1.443 -1.886 0.420) 2.412 1.987 ( 1.662 -6.298 -3.837) 7.560 2.222 ( -2.998 -9.607 1.382) 10.159 2.538 ( -11.393 1.088 0.275) 11.449 2.676 ( -5.078 -0.728 -0.722) 5.180 3.118 ( 9.869 0.268 -0.070) 9.873 3.355 ( -1.350 -4.148 1.242) 4.536 3.522 ( -0.224 -3.987 -1.470) 4.256 3.773 ( -2.449 -0.911 -0.522) 2.665 4.086 ( -0.669 1.638 1.733) 2.476 4.231 ( 12.164 1.403 2.534) 12.504 8.528 ( 2.625 5.358 1.186) 6.083 9.123 ( -12.047 5.985 -0.870) 13.480 10.032 ( 31.166 -8.421 -8.249) 33.321 10.835 ( 3.738 3.467 10.712) 11.863 15.394 ( 6.182 4.314 -0.893) 7.591 16.823 ( -17.648 9.977 -0.654) 20.283 ======================= Grid point 368 (157/429) ======================= q-point: (-0.21 -0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.273 ( -11.301 0.000 6.786) 13.182 0.446 ( -10.516 0.000 -0.243) 10.519 1.094 ( -26.733 0.000 -2.969) 26.897 1.376 ( 12.002 -0.000 6.678) 13.735 1.481 ( 2.885 -0.000 -1.814) 3.408 1.696 ( -3.335 0.000 0.509) 3.374 2.301 ( -6.068 0.000 -10.066) 11.754 2.706 ( -3.382 0.000 3.631) 4.962 2.769 ( -2.171 0.000 -0.099) 2.173 3.057 ( 10.120 -0.000 -2.403) 10.401 3.260 ( -2.205 0.000 -0.372) 2.236 3.308 ( 2.845 -0.000 -0.515) 2.892 3.674 ( -9.836 0.000 4.784) 10.938 3.894 ( 7.309 -0.000 -9.953) 12.348 4.425 ( -0.645 0.000 6.264) 6.297 8.012 ( 15.622 -0.000 -0.330) 15.626 9.175 ( -11.434 0.000 -0.102) 11.435 9.345 ( -8.554 0.000 3.126) 9.107 10.785 ( 6.094 -0.000 4.478) 7.563 15.645 ( 3.554 -0.000 -5.073) 6.195 17.649 ( -0.345 0.000 -1.997) 2.027 ======================= Grid point 369 (158/429) ======================= q-point: (-0.14 -0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.340 ( -6.833 -10.292 4.502) 13.149 0.532 ( -9.481 -10.937 0.741) 14.493 0.991 ( -22.524 -8.827 -2.366) 24.308 1.425 ( 8.291 2.366 5.900) 10.448 1.588 ( 4.828 -7.467 -0.287) 8.897 1.734 ( -3.407 -5.575 -0.901) 6.596 2.088 ( -8.871 7.941 -7.909) 14.294 2.662 ( -9.094 4.065 -0.025) 9.961 2.697 ( -5.323 1.535 0.106) 5.541 3.154 ( 9.420 -0.901 0.628) 9.484 3.238 ( -0.789 -2.052 -6.286) 6.659 3.359 ( 1.863 -3.536 1.009) 4.122 3.726 ( -3.868 -3.698 3.176) 6.223 3.979 ( 9.904 -6.752 -3.578) 12.510 4.369 ( 0.045 6.443 6.921) 9.456 8.477 ( 23.039 -19.729 0.127) 30.332 9.257 ( -1.206 -8.971 -2.184) 9.312 9.324 ( 3.476 -11.579 -0.594) 12.104 10.870 ( 5.972 -0.721 16.191) 17.272 15.589 ( 3.166 5.323 -4.471) 7.639 17.384 ( -14.562 19.869 -6.593) 25.501 ======================= Grid point 370 (159/429) ======================= q-point: (-0.07 -0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -1.548 -12.220 1.166) 12.373 0.630 ( -10.292 -8.129 0.299) 13.118 1.163 ( -12.076 -18.526 -0.439) 22.119 1.462 ( 6.765 0.925 5.173) 8.566 1.711 ( -0.009 -2.034 -0.309) 2.057 1.838 ( 0.076 -8.737 -5.139) 10.136 2.028 ( -4.207 -7.696 1.447) 8.889 2.508 ( -12.682 3.490 -2.068) 13.315 2.653 ( -4.410 0.996 1.021) 4.635 3.181 ( 5.908 0.860 -1.495) 6.154 3.288 ( 0.718 -3.138 0.915) 3.346 3.442 ( 0.562 -4.084 -0.726) 4.186 3.747 ( -1.218 -0.634 -0.734) 1.557 4.091 ( 0.833 -1.097 -1.166) 1.804 4.336 ( 8.829 2.010 3.732) 9.794 8.637 ( 4.314 3.297 1.169) 5.554 9.163 ( -8.825 5.510 -0.390) 10.411 9.935 ( 38.207 -20.845 -18.199) 47.175 10.984 ( 6.804 2.730 23.827) 24.929 15.503 ( 5.515 4.344 -2.103) 7.329 16.900 ( -24.841 13.483 -4.146) 28.566 ======================= Grid point 383 (160/429) ======================= q-point: (-0.14 -0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.229 ( -8.467 0.000 12.046) 14.724 0.318 ( -12.016 0.000 3.192) 12.433 0.738 ( -29.119 0.000 -1.107) 29.140 1.503 ( 3.086 -0.000 -1.683) 3.515 1.565 ( 10.752 -0.000 4.911) 11.821 1.662 ( -3.185 0.000 0.907) 3.312 2.108 ( -8.600 0.000 -18.436) 20.343 2.683 ( -4.219 0.000 2.060) 4.695 2.751 ( -1.308 0.000 0.826) 1.547 3.054 ( -3.023 0.000 -29.988) 30.140 3.199 ( 4.712 -0.000 -0.013) 4.712 3.333 ( 2.087 -0.000 -0.738) 2.214 3.665 ( -6.628 0.000 16.267) 17.566 3.951 ( 8.707 -0.000 1.325) 8.807 4.489 ( 0.719 -0.000 13.140) 13.159 8.203 ( 16.554 -0.000 -0.573) 16.563 9.027 ( -13.240 0.000 0.385) 13.245 9.284 ( -5.678 0.000 2.260) 6.111 11.017 ( 11.955 -0.000 38.149) 39.978 15.646 ( 3.347 -0.000 -4.734) 5.798 17.536 ( -6.522 0.000 -23.918) 24.791 ======================= Grid point 384 (161/429) ======================= q-point: (-0.07 -0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.326 ( -3.595 -10.836 7.823) 13.840 0.412 ( -12.429 -8.493 1.945) 15.179 0.732 ( -18.342 -17.520 2.105) 25.452 1.548 ( 5.924 0.874 4.010) 7.207 1.652 ( 3.762 -7.602 -0.779) 8.518 1.685 ( -1.352 -1.198 -2.294) 2.919 1.913 ( -9.044 -0.431 -6.791) 11.318 2.504 ( -12.922 6.476 -2.719) 14.707 2.654 ( -4.147 1.083 1.209) 4.453 3.155 ( -0.177 -6.091 -9.806) 11.545 3.265 ( 6.986 -2.219 -0.408) 7.341 3.375 ( 1.064 -3.259 -1.356) 3.687 3.726 ( 0.396 -1.542 1.781) 2.389 4.061 ( 4.111 -2.819 -0.115) 4.986 4.465 ( 4.593 6.061 10.227) 12.745 8.685 ( 10.651 -4.632 -1.658) 11.732 9.198 ( -3.347 1.051 -3.724) 5.116 9.485 ( 33.993 -44.082 -24.479) 60.811 11.279 ( 21.453 6.829 51.554) 56.255 15.600 ( 4.325 3.847 -2.804) 6.431 16.989 ( -35.540 20.491 -17.834) 44.733 ======================= Grid point 398 (162/429) ======================= q-point: (-0.07 -0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.234 ( -9.380 0.000 10.315) 13.942 0.242 ( -8.601 0.000 12.241) 14.961 0.414 ( -24.506 0.000 8.349) 25.889 1.529 ( 3.251 -0.000 -1.346) 3.518 1.634 ( -2.971 0.000 1.156) 3.188 1.680 ( 1.213 -0.000 -3.390) 3.600 1.771 ( -16.298 0.000 -12.528) 20.557 2.607 ( -13.264 0.000 -14.796) 19.871 2.677 ( -10.201 0.000 -6.149) 11.911 2.749 ( -0.775 0.000 1.645) 1.819 3.280 ( 5.057 -0.000 0.314) 5.066 3.345 ( 1.220 -0.000 -1.145) 1.673 3.732 ( 2.898 -0.000 4.295) 5.182 4.065 ( 3.211 -0.000 2.171) 3.876 4.730 ( 16.420 -0.000 15.555) 22.618 8.396 ( 15.592 -0.000 -0.513) 15.600 8.867 ( -13.653 0.000 0.714) 13.672 9.239 ( -3.551 0.000 0.675) 3.614 11.968 ( 70.641 -0.000 68.563) 98.443 15.655 ( 4.181 -0.000 -2.574) 4.910 16.889 ( -53.499 0.000 -47.288) 71.403 ======================= Grid point 399 (163/429) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( 1.010 -0.000 7.827) 7.892 0.490 ( -1.171 0.000 9.464) 9.536 0.766 ( -1.055 0.000 17.092) 17.125 1.552 ( 3.336 -0.000 0.135) 3.339 1.624 ( -6.881 0.000 -1.148) 6.976 1.627 ( -2.409 0.000 0.630) 2.490 1.826 ( 8.269 -0.000 2.286) 8.579 2.300 ( 0.808 -0.000 -5.771) 5.828 2.686 ( -1.260 0.000 2.665) 2.948 2.828 ( -0.674 0.000 4.850) 4.896 3.291 ( -0.087 0.000 -1.150) 1.154 3.293 ( 0.668 -0.000 -3.676) 3.736 3.781 ( 3.483 -0.000 -0.363) 3.502 4.084 ( -0.338 0.000 0.762) 0.834 4.839 ( -2.606 0.000 -0.388) 2.634 8.525 ( 2.104 -0.000 -0.063) 2.105 8.768 ( -1.785 0.000 0.887) 1.994 9.218 ( -1.760 0.000 0.171) 1.769 12.310 ( -21.622 0.000 -2.268) 21.741 15.815 ( 1.923 -0.000 4.965) 5.324 16.589 ( 17.019 -0.000 -0.100) 17.019 ======================= Grid point 400 (164/429) ======================= q-point: ( 0.07 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( 5.233 -5.626 5.620) 9.519 0.645 ( 0.622 -8.962 8.259) 12.203 0.859 ( 0.994 -5.131 10.611) 11.828 1.523 ( -7.076 1.072 0.505) 7.175 1.660 ( -2.771 -5.864 -1.463) 6.649 1.743 ( -0.952 -12.277 1.710) 12.432 1.869 ( 10.541 1.952 1.502) 10.825 2.261 ( 3.612 2.379 -5.622) 7.093 2.655 ( 0.566 1.960 3.245) 3.834 2.992 ( -0.234 -10.835 0.630) 10.856 3.273 ( -1.113 -0.227 -1.706) 2.050 3.308 ( 0.854 -1.739 -3.559) 4.052 3.787 ( 3.775 1.517 -0.462) 4.095 4.065 ( -0.385 2.229 0.052) 2.263 4.621 ( -6.106 16.483 1.296) 17.626 8.670 ( -14.771 -6.652 -1.918) 16.312 8.890 ( 14.286 -12.137 -3.894) 19.145 9.247 ( -0.238 -6.822 -3.801) 7.814 12.032 ( -22.753 12.982 6.617) 27.019 15.804 ( -1.998 3.378 4.394) 5.892 16.632 ( 19.248 6.543 -2.604) 20.496 ======================= Grid point 401 (165/429) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 3.954 -7.199 2.789) 8.674 0.795 ( 0.720 -4.461 8.203) 9.366 1.073 ( 4.543 -11.643 0.094) 12.498 1.480 ( -8.281 -1.542 1.881) 8.630 1.729 ( -2.780 -3.495 -0.620) 4.509 1.915 ( 6.901 -2.059 0.948) 7.264 2.033 ( 3.337 -14.195 3.092) 14.906 2.231 ( 4.132 -0.141 -5.498) 6.879 2.656 ( 2.668 0.454 2.846) 3.927 3.133 ( 0.144 -3.949 -0.797) 4.031 3.283 ( -1.649 -2.322 -1.558) 3.247 3.339 ( 1.454 -2.718 -4.499) 5.454 3.767 ( 3.563 2.793 -0.891) 4.614 3.994 ( -1.956 4.279 -1.659) 4.989 4.294 ( -6.745 13.009 -1.666) 14.748 8.631 ( -9.432 0.939 0.060) 9.479 9.034 ( 9.718 2.155 -0.226) 9.956 9.473 ( -2.344 -17.733 -15.487) 23.660 11.686 ( -16.932 14.773 10.976) 25.008 15.699 ( -5.558 6.939 2.638) 9.273 16.595 ( 16.676 7.255 -2.219) 18.321 ======================= Grid point 402 (166/429) ======================= q-point: ( 0.21 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 0.721 -6.048 1.123) 6.194 0.921 ( 0.854 -5.804 3.285) 6.724 1.250 ( 3.961 -4.645 -3.048) 6.823 1.531 ( -2.961 -6.967 2.433) 7.952 1.751 ( 0.132 -0.614 0.041) 0.629 2.014 ( 1.301 -4.414 0.147) 4.604 2.170 ( 9.853 0.269 -3.802) 10.565 2.412 ( -0.257 -15.418 2.733) 15.660 2.688 ( 4.252 -0.521 1.997) 4.727 3.163 ( 1.080 -0.605 -1.603) 2.025 3.303 ( -2.689 -1.586 -1.130) 3.320 3.382 ( 1.734 -2.542 -5.022) 5.890 3.725 ( 1.834 2.500 -2.608) 4.052 3.887 ( -3.880 3.593 -2.084) 5.684 4.079 ( -4.551 5.799 -3.877) 8.329 8.534 ( -7.836 3.793 0.229) 8.709 9.020 ( 11.870 5.605 0.389) 13.132 9.639 ( -7.691 -10.627 -15.367) 20.205 11.376 ( -11.697 14.589 10.392) 21.393 15.517 ( -7.918 8.580 0.610) 11.692 16.565 ( 14.506 5.331 -1.545) 15.531 ======================= Grid point 403 (167/429) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -1.858 -4.786 -1.094) 5.249 1.032 ( -0.045 -5.942 0.046) 5.942 1.324 ( 3.166 -3.454 -1.006) 4.792 1.661 ( 2.821 -5.291 0.023) 5.996 1.793 ( 1.730 -4.160 0.005) 4.506 2.054 ( -0.280 -0.603 -1.664) 1.792 2.242 ( 6.944 -2.822 -0.762) 7.534 2.648 ( 0.032 -5.877 1.814) 6.151 2.758 ( 4.965 -5.684 1.358) 7.668 3.178 ( 0.216 -1.549 -2.581) 3.018 3.304 ( -2.710 -1.326 -1.836) 3.531 3.412 ( 0.879 -2.288 -4.182) 4.847 3.684 ( -0.995 0.545 -3.924) 4.085 3.844 ( -1.079 -1.421 0.112) 1.788 3.963 ( -2.843 3.437 -3.561) 5.707 8.408 ( -6.879 4.877 -0.024) 8.433 8.986 ( 13.106 6.210 0.281) 14.505 9.686 ( -10.806 -7.526 -11.769) 17.661 11.081 ( -7.453 15.331 7.949) 18.809 15.316 ( -7.894 7.609 -0.508) 10.976 16.559 ( 11.681 3.403 -1.120) 12.218 ======================= Grid point 404 (168/429) ======================= q-point: ( 0.36 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -2.663 -1.704 -1.925) 3.701 1.166 ( 0.392 -8.674 -1.397) 8.794 1.413 ( 2.455 -4.048 0.829) 4.806 1.774 ( 6.252 -4.791 -0.989) 7.938 1.899 ( 0.332 -5.649 -0.861) 5.724 2.052 ( -1.965 -0.978 -0.606) 2.277 2.317 ( 4.103 -1.632 0.491) 4.442 2.658 ( 0.179 2.239 -1.428) 2.662 2.928 ( 5.102 -5.297 1.367) 7.481 3.184 ( -4.107 -1.847 -2.269) 5.043 3.331 ( 0.321 -3.938 -3.427) 5.230 3.456 ( 1.701 -2.993 -1.774) 3.873 3.680 ( -1.471 -2.417 -1.338) 3.130 3.861 ( -1.044 2.951 -0.975) 3.278 3.923 ( -0.635 -4.460 -0.437) 4.526 8.285 ( -5.443 4.129 0.035) 6.832 8.959 ( 11.509 4.851 0.174) 12.491 9.719 ( -11.284 -8.039 -8.281) 16.141 10.793 ( -3.276 15.006 5.921) 16.461 15.156 ( -5.666 4.804 -0.464) 7.442 16.566 ( 7.974 1.895 -1.084) 8.267 ======================= Grid point 405 (169/429) ======================= q-point: ( 0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -0.691 -0.174 -1.504) 1.664 1.316 ( 0.415 -7.068 -1.774) 7.298 1.493 ( 0.838 -2.849 1.440) 3.301 1.879 ( 5.780 -2.136 -2.539) 6.665 1.965 ( -2.669 -2.761 -1.474) 4.113 2.081 ( -2.612 -3.474 1.104) 4.485 2.377 ( 3.712 -2.659 0.950) 4.664 2.591 ( -1.012 3.432 -1.928) 4.065 2.951 ( 1.065 3.740 -3.005) 4.915 3.240 ( -0.434 -5.556 0.923) 5.649 3.413 ( 2.107 -4.782 -3.063) 6.057 3.520 ( 3.917 -2.913 -0.449) 4.902 3.740 ( -2.268 -4.524 1.089) 5.176 3.799 ( -0.082 2.250 0.992) 2.461 4.009 ( -1.346 -4.353 -0.315) 4.567 8.203 ( -3.288 1.820 0.471) 3.788 8.950 ( 6.395 2.134 0.057) 6.742 9.773 ( -8.819 -7.157 -6.545) 13.108 10.568 ( 0.774 10.059 5.407) 11.446 15.075 ( -2.168 1.275 0.143) 2.519 16.573 ( 3.759 0.741 -1.284) 4.041 ======================= Grid point 406 (170/429) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 1.940 0.486 -1.176) 2.320 1.384 ( -0.034 -0.383 -1.615) 1.660 1.535 ( -1.665 -1.249 1.502) 2.567 1.884 ( -0.313 0.816 -4.066) 4.159 1.989 ( 0.264 -0.793 -0.022) 0.836 2.131 ( -0.800 -2.480 0.208) 2.615 2.408 ( 0.497 3.308 -0.299) 3.358 2.573 ( -0.979 -4.470 0.752) 4.638 2.848 ( -0.729 4.887 -4.366) 6.594 3.326 ( 2.866 -1.470 1.600) 3.597 3.469 ( 2.744 -0.883 -2.985) 4.149 3.633 ( 4.362 -5.497 -0.732) 7.055 3.755 ( 1.553 0.277 1.715) 2.330 3.848 ( -1.726 -4.857 2.577) 5.762 4.046 ( -2.963 -1.214 -0.303) 3.216 8.186 ( -0.954 -1.073 0.725) 1.609 8.950 ( -1.829 -0.464 -0.019) 1.887 9.812 ( -0.986 -3.370 -6.479) 7.369 10.501 ( 2.167 0.620 5.819) 6.240 15.081 ( 1.395 -1.815 0.493) 2.342 16.574 ( -0.553 -0.353 -1.428) 1.572 ======================= Grid point 407 (171/429) ======================= q-point: (-0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 4.456 1.430 -1.273) 4.850 1.319 ( -0.441 5.943 -1.431) 6.129 1.532 ( -4.256 0.144 1.382) 4.477 1.840 ( -1.273 1.936 -3.107) 3.876 1.978 ( 0.687 2.394 -0.509) 2.542 2.156 ( -0.221 -0.489 -1.995) 2.066 2.333 ( -3.457 2.374 2.288) 4.777 2.673 ( -0.534 -4.531 0.978) 4.666 2.748 ( -0.753 3.358 -3.379) 4.823 3.331 ( 5.577 4.329 1.940) 7.322 3.469 ( 0.934 0.280 -3.905) 4.025 3.656 ( 0.766 2.253 -2.432) 3.403 3.866 ( 4.687 -5.210 1.161) 7.103 3.909 ( -0.717 -2.600 0.108) 2.700 4.039 ( -2.547 -1.087 0.788) 2.880 8.232 ( 1.130 -3.465 0.490) 3.677 8.939 ( -9.830 -2.174 -0.018) 10.068 9.853 ( 9.029 -1.800 -7.341) 11.775 10.596 ( 1.676 -6.152 6.272) 8.943 15.152 ( 4.135 -3.579 0.171) 5.471 16.571 ( -4.775 -1.717 -1.334) 5.246 ======================= Grid point 408 (172/429) ======================= q-point: (-0.36 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 5.929 3.704 -1.529) 7.156 1.177 ( -0.831 8.140 -0.749) 8.217 1.501 ( -4.785 0.485 1.267) 4.973 1.765 ( -2.417 3.916 -2.558) 5.265 1.908 ( -0.022 4.877 -0.471) 4.900 2.127 ( -0.303 2.057 -3.021) 3.667 2.304 ( -5.233 -0.014 2.871) 5.968 2.679 ( -1.550 1.033 -3.476) 3.944 2.720 ( -1.437 1.291 3.526) 4.020 3.265 ( 7.032 6.969 1.144) 9.966 3.443 ( 0.464 1.094 -4.328) 4.488 3.591 ( 0.249 3.616 -3.224) 4.851 3.832 ( -4.974 2.830 -0.977) 5.806 4.049 ( 4.913 -4.966 -0.326) 6.993 4.069 ( 1.742 -3.043 -2.287) 4.187 8.325 ( 2.996 -5.033 0.062) 5.858 8.921 ( -13.533 -3.792 0.099) 14.055 9.924 ( 15.069 -1.180 -9.608) 17.910 10.777 ( 2.143 -9.053 7.545) 11.978 15.253 ( 5.995 -3.994 -0.442) 7.217 16.570 ( -9.006 -3.282 -1.154) 9.655 ======================= Grid point 409 (173/429) ======================= q-point: (-0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 5.025 6.768 -0.916) 8.479 1.013 ( -1.777 8.858 0.903) 9.079 1.472 ( -6.229 -0.011 -0.078) 6.229 1.648 ( -0.491 6.304 -1.211) 6.438 1.811 ( -1.485 4.747 0.067) 4.974 2.055 ( 1.793 5.123 -2.749) 6.084 2.270 ( -7.039 0.504 0.476) 7.073 2.619 ( -3.685 6.497 1.749) 7.671 2.663 ( -2.536 1.750 1.488) 3.421 3.198 ( 6.135 4.234 -0.503) 7.471 3.401 ( 1.160 2.326 -3.077) 4.028 3.510 ( 0.163 3.434 -4.271) 5.483 3.759 ( -4.220 1.294 -0.843) 4.494 4.068 ( -1.428 -0.326 -2.041) 2.512 4.186 ( 7.398 -4.720 -5.528) 10.372 8.449 ( 4.500 -5.826 -0.135) 7.363 8.926 ( -13.151 -5.595 0.187) 14.293 9.973 ( 17.420 2.320 -13.283) 22.029 11.013 ( 3.508 -11.069 10.117) 15.401 15.364 ( 7.561 -3.833 -0.466) 8.490 16.570 ( -13.369 -4.458 -1.211) 14.145 ======================= Grid point 410 (174/429) ======================= q-point: (-0.21 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 1.633 8.667 1.139) 8.893 0.836 ( -3.029 9.567 3.362) 10.583 1.347 ( -8.978 8.644 -2.569) 12.725 1.596 ( 5.503 1.051 3.026) 6.368 1.718 ( -3.350 3.694 -0.150) 4.989 1.943 ( 3.968 7.648 -1.867) 8.816 2.199 ( -6.358 3.467 -0.710) 7.277 2.432 ( -6.108 9.058 1.676) 11.053 2.643 ( -3.930 -0.398 1.681) 4.293 3.177 ( 3.100 1.089 -1.622) 3.664 3.353 ( 2.226 2.859 -1.740) 4.019 3.440 ( 0.688 2.661 -4.329) 5.128 3.727 ( -2.185 -0.078 -0.625) 2.274 4.050 ( -1.314 -0.143 -3.099) 3.369 4.284 ( 5.295 -4.836 -5.970) 9.330 8.583 ( 4.815 -5.429 0.034) 7.257 8.968 ( -10.424 -6.454 -0.361) 12.266 9.911 ( 17.567 10.049 -17.598) 26.820 11.320 ( 5.132 -14.812 13.324) 20.573 15.483 ( 9.181 -3.692 0.642) 9.916 16.557 ( -17.177 -4.496 -1.400) 17.811 ======================= Grid point 411 (175/429) ======================= q-point: (-0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -3.057 8.978 3.828) 10.228 0.675 ( -1.957 7.883 7.373) 10.970 1.070 ( -6.755 15.014 1.646) 16.546 1.617 ( -0.272 1.962 -1.655) 2.581 1.670 ( 2.508 -0.351 4.387) 5.066 1.815 ( 3.886 8.007 -1.304) 8.995 2.023 ( -4.538 11.682 1.346) 12.605 2.304 ( -7.216 -0.122 -2.891) 7.775 2.639 ( -4.183 -0.945 1.996) 4.730 3.155 ( 0.031 3.103 -1.362) 3.388 3.309 ( 3.744 2.799 -2.695) 5.395 3.376 ( 0.775 3.079 -3.945) 5.064 3.728 ( 0.145 -0.815 -0.246) 0.864 4.046 ( -0.501 -1.269 -1.876) 2.320 4.409 ( 2.041 -9.307 -2.774) 9.924 8.692 ( 4.170 -3.045 0.059) 5.164 9.014 ( -6.685 -3.643 -2.568) 8.034 9.646 ( 13.778 21.128 -19.193) 31.696 11.738 ( 4.898 -21.358 13.321) 25.644 15.615 ( 10.280 -3.410 2.640) 11.148 16.518 ( -17.034 -3.176 -0.533) 17.336 ======================= Grid point 412 (176/429) ======================= q-point: (-0.07 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( -2.859 6.078 6.796) 9.555 0.577 ( -1.517 7.339 10.123) 12.595 0.793 ( -4.860 10.397 10.214) 15.363 1.563 ( -0.417 2.050 -0.489) 2.148 1.687 ( 0.041 6.117 -0.510) 6.138 1.718 ( 6.025 3.023 2.559) 7.210 1.807 ( -5.040 5.419 1.356) 7.524 2.292 ( -3.231 -2.886 -4.589) 6.311 2.647 ( -3.136 -1.747 2.605) 4.436 2.997 ( -0.470 12.533 -0.837) 12.570 3.289 ( 1.570 0.257 -1.793) 2.397 3.321 ( 1.339 1.732 -3.343) 3.996 3.753 ( 2.335 -0.999 -0.212) 2.548 4.069 ( -0.388 -1.521 -0.022) 1.570 4.651 ( 0.069 -15.659 1.061) 15.695 8.726 ( 11.957 6.342 -2.684) 13.798 8.878 ( -8.608 13.939 -6.799) 17.738 9.282 ( 0.450 9.602 -4.430) 10.584 12.195 ( -4.993 -20.600 2.866) 21.390 15.743 ( 8.079 -2.399 4.376) 9.496 16.499 ( -3.472 -2.515 2.364) 4.896 ======================= Grid point 414 (177/429) ======================= q-point: ( 0.07 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 10.519 -0.000 5.608) 11.920 0.559 ( 1.077 -0.000 7.256) 7.335 0.891 ( -0.578 0.000 13.093) 13.106 1.501 ( -10.079 0.000 1.190) 10.149 1.574 ( -0.840 0.000 -0.249) 0.876 1.623 ( 1.820 -0.000 0.971) 2.063 1.967 ( 12.729 -0.000 -1.480) 12.814 2.287 ( 4.652 -0.000 -7.472) 8.802 2.715 ( 2.410 -0.000 2.703) 3.621 2.865 ( -0.177 0.000 5.578) 5.581 3.266 ( 0.212 -0.000 -4.353) 4.359 3.272 ( -1.653 0.000 -0.028) 1.653 3.826 ( 4.454 -0.000 -0.465) 4.478 4.088 ( 0.024 -0.000 0.199) 0.201 4.767 ( -9.305 0.000 1.413) 9.412 8.412 ( -15.444 0.000 -0.203) 15.445 8.878 ( 13.710 -0.000 0.902) 13.740 9.215 ( 1.048 -0.000 0.586) 1.201 12.021 ( -27.348 0.000 8.325) 28.587 15.844 ( -2.005 0.000 4.223) 4.675 16.811 ( 21.748 -0.000 -8.107) 23.210 ======================= Grid point 415 (178/429) ======================= q-point: ( 0.14 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 6.619 -3.692 3.173) 8.216 0.736 ( 4.180 -8.072 8.263) 12.284 0.936 ( -0.371 -3.743 4.430) 5.812 1.445 ( -6.049 1.015 4.114) 7.386 1.618 ( -2.609 -4.829 -0.877) 5.559 1.769 ( 2.110 -12.509 2.260) 12.886 2.007 ( 10.915 2.176 -0.292) 11.133 2.264 ( 5.759 1.759 -8.473) 10.395 2.710 ( 3.751 1.954 3.638) 5.579 3.002 ( 0.200 -8.955 1.766) 9.130 3.247 ( -1.290 -0.258 -0.927) 1.609 3.286 ( -0.000 -1.878 -2.777) 3.352 3.835 ( 4.762 1.804 -0.832) 5.160 4.056 ( -0.841 3.338 -0.881) 3.554 4.536 ( -9.910 16.053 2.091) 18.981 8.459 ( -16.791 -10.761 -2.544) 20.105 9.039 ( 13.260 -7.384 -1.387) 15.240 9.232 ( 1.803 -1.538 -1.059) 2.596 11.822 ( -23.384 8.009 11.253) 27.159 15.797 ( -3.712 5.071 2.728) 6.851 16.829 ( 18.909 6.831 -6.914) 21.261 ======================= Grid point 416 (179/429) ======================= q-point: ( 0.21 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 5.272 -4.663 0.693) 7.072 0.859 ( -1.793 -3.153 7.886) 8.680 1.125 ( 5.710 -10.957 -2.335) 12.574 1.439 ( -2.367 -1.945 4.757) 5.658 1.689 ( -2.670 -4.588 -0.751) 5.361 1.994 ( 5.058 -1.979 0.956) 5.515 2.111 ( 3.360 -13.622 4.028) 14.597 2.246 ( 8.307 0.632 -8.838) 12.145 2.727 ( 4.828 0.652 3.192) 5.824 3.135 ( 0.802 -4.152 0.053) 4.229 3.254 ( -2.257 -1.454 0.409) 2.716 3.319 ( 1.305 -2.951 -4.580) 5.602 3.804 ( 4.282 4.434 -2.432) 6.627 3.945 ( -4.132 5.991 -1.365) 7.404 4.202 ( -7.350 12.588 0.566) 14.588 8.493 ( -12.193 -3.341 -1.775) 12.766 9.170 ( 12.165 2.076 0.528) 12.352 9.330 ( -4.004 -10.789 -8.749) 14.456 11.567 ( -17.709 10.775 11.235) 23.578 15.639 ( -6.545 8.975 0.800) 11.136 16.776 ( 16.876 7.640 -3.676) 18.886 ======================= Grid point 417 (180/429) ======================= q-point: ( 0.29 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 4.160 -3.450 -0.012) 5.404 0.938 ( -2.193 -4.308 2.478) 5.432 1.279 ( 3.513 -3.601 0.357) 5.043 1.556 ( 4.114 -8.032 0.962) 9.076 1.742 ( -1.165 -2.908 -0.136) 3.136 2.023 ( -0.196 -0.528 0.271) 0.625 2.267 ( 11.540 -0.216 -5.412) 12.748 2.435 ( 0.434 -15.770 2.835) 16.029 2.763 ( 5.224 0.052 1.938) 5.572 3.174 ( 1.797 0.223 0.294) 1.834 3.262 ( -2.967 -1.115 -0.654) 3.237 3.360 ( 1.475 -2.186 -5.293) 5.913 3.690 ( -2.946 4.347 -4.812) 7.122 3.850 ( -1.010 2.153 1.424) 2.772 4.013 ( -3.284 5.448 -0.983) 6.437 8.434 ( -8.225 1.960 -1.029) 8.517 9.176 ( 13.042 5.291 0.229) 14.077 9.427 ( -10.105 -8.269 -9.180) 15.961 11.308 ( -12.590 11.914 9.013) 19.537 15.421 ( -8.070 9.371 -0.330) 12.372 16.730 ( 14.634 6.632 -1.657) 16.152 ======================= Grid point 418 (181/429) ======================= q-point: ( 0.36 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 2.623 -1.268 -1.643) 3.345 1.024 ( -1.519 -6.231 0.305) 6.421 1.360 ( 2.409 -3.447 1.655) 4.519 1.725 ( 8.346 -5.620 -1.565) 10.183 1.805 ( -0.337 -4.581 1.163) 4.739 2.018 ( -4.023 -0.494 -0.920) 4.156 2.326 ( 8.309 -0.858 -2.402) 8.691 2.658 ( 0.105 -4.713 0.538) 4.745 2.831 ( 5.359 -5.854 1.068) 8.008 3.158 ( -1.389 1.641 -1.338) 2.532 3.267 ( -0.553 -1.927 -1.709) 2.635 3.391 ( 0.344 -3.331 -2.508) 4.184 3.633 ( -2.338 -1.036 -2.419) 3.520 3.850 ( 0.615 -1.663 1.374) 2.243 3.919 ( -1.731 3.338 -0.836) 3.851 8.332 ( -5.172 3.962 -0.569) 6.540 9.134 ( 9.533 6.722 0.145) 11.666 9.473 ( -9.776 -7.814 -7.195) 14.436 11.047 ( -8.047 13.068 6.487) 16.661 15.219 ( -7.369 6.820 -0.257) 10.044 16.692 ( 11.385 5.577 -0.943) 12.713 ======================= Grid point 419 (182/429) ======================= q-point: ( 0.43 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 2.238 -0.998 -1.806) 3.044 1.155 ( -0.589 -8.528 -1.131) 8.623 1.446 ( 1.244 -3.726 1.831) 4.334 1.854 ( 7.416 -3.418 -3.203) 8.771 1.896 ( 0.511 -4.314 1.304) 4.535 2.001 ( -6.042 -1.941 0.633) 6.378 2.371 ( 4.575 -0.819 -0.750) 4.707 2.651 ( 1.207 3.121 -1.906) 3.851 2.985 ( 3.431 -1.843 -1.682) 4.243 3.125 ( -3.344 -4.136 0.421) 5.335 3.324 ( 1.830 -4.356 -1.692) 5.019 3.471 ( 1.757 -4.632 -0.058) 4.954 3.659 ( -1.142 -3.134 0.062) 3.336 3.852 ( -0.172 2.946 0.571) 3.006 3.917 ( -0.501 -4.324 0.506) 4.382 8.238 ( -2.188 3.378 0.149) 4.027 9.052 ( 1.610 5.700 0.331) 5.933 9.555 ( -4.273 -8.507 -5.623) 11.057 10.794 ( -4.094 12.426 5.029) 14.016 15.092 ( -4.814 2.936 0.371) 5.651 16.652 ( 7.397 4.543 -0.953) 8.733 ======================= Grid point 420 (183/429) ======================= q-point: ( 0.50 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 4.253 -0.423 -1.289) 4.464 1.293 ( -1.916 -6.982 -1.515) 7.397 1.517 ( 1.077 -2.140 1.669) 2.920 1.862 ( -3.305 0.398 -3.681) 4.963 1.987 ( 6.133 -1.750 -0.048) 6.378 2.045 ( -4.544 -4.990 1.464) 6.906 2.427 ( 3.081 -3.041 0.311) 4.340 2.569 ( -0.014 5.034 -1.517) 5.258 2.916 ( -1.614 4.726 -3.536) 6.119 3.265 ( 2.299 -6.828 1.292) 7.319 3.423 ( 2.784 -4.986 -2.048) 6.067 3.568 ( 3.670 -4.248 0.167) 5.616 3.723 ( -2.137 -3.993 1.381) 4.735 3.821 ( 1.303 1.038 2.636) 3.118 3.985 ( -2.084 -3.293 -0.165) 3.901 8.191 ( 0.734 1.307 0.824) 1.711 8.955 ( -6.194 3.316 0.299) 7.032 9.680 ( 2.088 -7.819 -5.121) 9.577 10.606 ( -1.588 7.661 4.726) 9.140 15.057 ( -1.467 -0.864 0.658) 1.825 16.606 ( 3.229 3.485 -1.135) 4.885 ======================= Grid point 421 (184/429) ======================= q-point: (-0.43 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 6.744 0.328 -0.954) 6.819 1.354 ( -2.976 -1.623 -1.198) 3.595 1.527 ( -1.673 1.839 0.987) 2.675 1.829 ( -2.480 -0.538 -2.384) 3.482 2.021 ( 3.120 0.946 -0.199) 3.267 2.104 ( -2.016 -3.111 -1.190) 3.893 2.421 ( 1.554 6.452 -0.044) 6.636 2.562 ( -2.173 -6.265 1.271) 6.752 2.808 ( -0.616 4.543 -2.667) 5.304 3.371 ( 3.188 -2.730 -0.155) 4.201 3.482 ( 3.086 0.019 -2.602) 4.037 3.660 ( 2.191 -2.134 -2.212) 3.775 3.793 ( 1.593 -5.338 1.378) 5.738 3.857 ( -0.029 -2.004 3.007) 3.613 4.005 ( -3.258 -1.051 0.089) 3.424 8.206 ( 3.220 -1.101 0.967) 3.538 8.862 ( -11.842 0.888 0.115) 11.876 9.814 ( 8.414 -5.344 -5.500) 11.385 10.549 ( -1.445 -0.580 4.711) 4.962 15.102 ( 1.501 -3.590 0.132) 3.894 16.555 ( -0.669 2.309 -1.123) 2.653 ======================= Grid point 422 (185/429) ======================= q-point: (-0.36 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 8.790 1.732 -1.017) 9.017 1.304 ( -0.565 5.309 -1.019) 5.435 1.466 ( -7.596 0.937 0.379) 7.663 1.809 ( -0.076 1.932 -1.661) 2.549 1.994 ( 2.242 3.325 -0.880) 4.106 2.112 ( -3.025 -0.104 -2.635) 4.013 2.328 ( -1.192 3.521 2.454) 4.454 2.654 ( -2.038 -3.028 -1.049) 3.798 2.740 ( 0.576 1.592 1.355) 2.168 3.407 ( 5.216 1.766 -0.423) 5.523 3.448 ( 1.366 2.650 -4.270) 5.208 3.643 ( 0.502 2.599 -3.009) 4.008 3.852 ( -3.674 2.343 -0.181) 4.362 3.948 ( 4.422 -7.958 -2.023) 9.326 4.018 ( -1.955 -2.043 0.890) 2.965 8.274 ( 5.173 -3.158 0.663) 6.097 8.787 ( -14.213 -1.526 0.135) 14.296 9.930 ( 12.532 -3.140 -7.040) 14.714 10.640 ( -2.025 -7.860 4.886) 9.474 15.197 ( 3.517 -4.942 -0.886) 6.130 16.506 ( -4.120 0.988 -0.889) 4.329 ======================= Grid point 423 (186/429) ======================= q-point: (-0.29 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 9.035 4.928 -0.931) 10.334 1.168 ( -0.078 8.324 -0.232) 8.327 1.417 ( -8.433 -0.780 -0.748) 8.502 1.737 ( 0.037 4.623 -1.655) 4.910 1.914 ( 1.754 6.257 -1.280) 6.623 2.075 ( -4.184 0.081 -1.986) 4.632 2.279 ( -2.240 2.569 1.823) 3.865 2.645 ( -0.893 0.836 -1.152) 1.680 2.735 ( -1.098 2.407 4.047) 4.835 3.333 ( 4.083 6.789 -2.274) 8.242 3.425 ( 2.532 0.682 -3.823) 4.636 3.566 ( 0.192 4.098 -4.026) 5.748 3.767 ( -4.276 2.970 -0.615) 5.243 4.036 ( -2.130 -1.007 -1.643) 2.873 4.095 ( 4.291 -6.590 -5.633) 9.673 8.385 ( 6.582 -4.612 0.383) 8.046 8.755 ( -13.598 -4.153 0.353) 14.222 10.018 ( 13.352 -1.373 -10.394) 16.977 10.836 ( -1.776 -11.958 6.280) 13.623 15.313 ( 4.796 -5.440 -1.452) 7.397 16.462 ( -7.048 -0.234 -0.687) 7.086 ======================= Grid point 424 (187/429) ======================= q-point: (-0.21 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 6.170 8.728 0.416) 10.697 1.005 ( -0.931 9.080 1.100) 9.194 1.368 ( -6.582 1.164 -3.077) 7.358 1.662 ( 1.849 2.720 -0.047) 3.289 1.792 ( -1.597 6.180 -0.690) 6.420 2.043 ( -0.096 1.466 -2.126) 2.584 2.203 ( -3.935 3.923 0.128) 5.558 2.602 ( -1.983 5.853 2.529) 6.678 2.653 ( -1.750 4.431 2.437) 5.352 3.234 ( 2.646 4.420 -3.284) 6.109 3.401 ( 1.927 2.027 -2.377) 3.670 3.480 ( 0.869 3.299 -4.722) 5.825 3.711 ( -2.481 0.531 -0.589) 2.605 4.020 ( -2.540 -0.289 -3.696) 4.494 4.194 ( 2.992 -4.926 -8.010) 9.868 8.517 ( 6.137 -5.087 0.524) 7.989 8.783 ( -10.250 -6.587 0.290) 12.188 10.040 ( 12.222 2.421 -15.065) 19.549 11.101 ( -1.688 -14.658 8.873) 17.218 15.443 ( 5.540 -5.773 -0.815) 8.043 16.424 ( -8.662 -1.081 -0.549) 8.746 ======================= Grid point 425 (188/429) ======================= q-point: (-0.14 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 1.573 10.742 2.687) 11.185 0.843 ( -0.210 8.716 3.184) 9.281 1.249 ( -3.417 7.442 -2.498) 8.561 1.648 ( -1.832 2.620 -0.040) 3.198 1.695 ( 0.919 0.832 1.721) 2.121 1.975 ( 3.266 7.022 -1.393) 7.869 2.120 ( -3.593 1.678 -1.858) 4.379 2.398 ( -3.060 12.870 3.036) 13.573 2.622 ( -1.712 0.344 1.844) 2.539 3.182 ( 1.171 1.481 -2.736) 3.324 3.361 ( 0.933 2.272 -1.959) 3.142 3.417 ( 1.316 2.613 -4.420) 5.301 3.707 ( -0.163 -1.053 -0.541) 1.195 4.003 ( -1.934 -1.323 -3.461) 4.180 4.261 ( 0.254 -5.508 -7.760) 9.520 8.636 ( 1.789 -4.529 1.184) 5.011 8.871 ( -3.734 -7.081 -0.562) 8.025 9.928 ( 9.767 10.237 -19.589) 24.164 11.425 ( -3.745 -17.912 10.984) 21.343 15.583 ( 4.753 -5.954 0.906) 7.672 16.401 ( -6.037 -1.861 0.056) 6.317 ======================= Grid point 426 (189/429) ======================= q-point: (-0.07 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 2.063 9.539 4.409) 10.709 0.725 ( -0.056 6.002 7.855) 9.886 1.037 ( -0.850 13.300 1.880) 13.459 1.568 ( -5.911 1.663 -0.296) 6.148 1.743 ( 1.756 -1.174 2.076) 2.961 1.839 ( 3.503 7.303 -0.809) 8.140 1.996 ( -0.700 12.877 1.653) 13.002 2.238 ( -0.340 0.891 -2.869) 3.023 2.624 ( -0.919 -0.553 2.343) 2.577 3.142 ( -0.181 3.822 -1.324) 4.049 3.311 ( 0.386 2.445 -2.789) 3.729 3.356 ( 1.354 2.762 -4.131) 5.150 3.738 ( 1.961 -1.826 -0.404) 2.710 4.023 ( -0.970 -2.686 -1.521) 3.236 4.377 ( -3.155 -11.507 -3.205) 12.354 8.709 ( -3.573 -3.226 1.446) 5.026 8.962 ( 2.545 -2.483 -2.179) 4.170 9.604 ( 5.080 20.875 -19.485) 29.005 11.782 ( -11.033 -19.923 9.773) 24.783 15.714 ( 0.852 -5.232 2.927) 6.055 16.449 ( 5.382 -4.223 0.875) 6.897 ======================= Grid point 429 (190/429) ======================= q-point: ( 0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 2.012 -0.000 4.965) 5.357 0.730 ( 15.278 -0.000 3.842) 15.753 0.910 ( -9.214 0.000 6.037) 11.016 1.463 ( -1.199 0.000 6.764) 6.869 1.546 ( -2.468 0.000 -0.754) 2.581 1.667 ( 3.399 -0.000 1.012) 3.546 2.095 ( 11.179 -0.000 -2.694) 11.499 2.278 ( 5.445 -0.000 -9.912) 11.309 2.781 ( 4.679 -0.000 2.587) 5.346 2.913 ( 0.372 -0.000 5.979) 5.990 3.230 ( -0.024 0.000 -4.805) 4.805 3.262 ( -1.475 0.000 2.359) 2.782 3.877 ( 4.872 -0.000 -1.093) 4.993 4.082 ( -0.565 0.000 -1.222) 1.347 4.650 ( -12.163 0.000 2.238) 12.367 8.208 ( -17.316 0.000 -0.474) 17.323 9.055 ( 13.727 -0.000 0.845) 13.753 9.259 ( 5.042 -0.000 1.592) 5.287 11.793 ( -25.008 0.000 12.010) 27.742 15.837 ( -3.163 0.000 1.286) 3.415 16.971 ( 17.119 -0.000 -9.053) 19.365 ======================= Grid point 430 (191/429) ======================= q-point: ( 0.21 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 3.627 -4.089 1.909) 5.790 0.850 ( -4.666 0.103 11.207) 12.140 0.944 ( 8.595 -9.879 -3.246) 13.491 1.464 ( 1.002 2.039 5.895) 6.318 1.581 ( -2.397 -4.656 -0.869) 5.309 1.820 ( 3.004 -12.428 2.192) 12.973 2.116 ( 7.788 2.723 -1.489) 8.384 2.269 ( 7.784 0.212 -9.501) 12.284 2.795 ( 5.066 1.748 3.609) 6.462 3.024 ( 0.573 -7.120 2.583) 7.596 3.225 ( -0.407 -1.298 -2.390) 2.750 3.271 ( -0.941 -0.898 0.972) 1.624 3.884 ( 5.064 1.899 -1.986) 5.762 4.026 ( -2.060 4.731 -2.062) 5.557 4.427 ( -10.908 14.665 2.666) 18.471 8.233 ( -17.196 -11.479 -2.200) 20.792 9.168 ( 9.243 -3.465 -0.932) 9.915 9.293 ( 8.342 1.148 1.566) 8.565 11.640 ( -22.822 5.420 11.511) 26.129 15.755 ( -4.776 6.441 -0.648) 8.045 16.983 ( 15.959 5.338 -6.078) 17.892 ======================= Grid point 431 (192/429) ======================= q-point: ( 0.29 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -0.363 -4.616 2.670) 5.345 0.882 ( 0.809 -2.357 3.289) 4.126 1.199 ( 7.781 -9.796 0.571) 12.523 1.478 ( 2.600 -1.821 2.615) 4.113 1.656 ( -1.422 -4.906 -0.728) 5.160 2.059 ( 4.354 0.010 1.013) 4.470 2.148 ( 0.636 -12.962 -0.676) 12.995 2.301 ( 10.110 -1.326 -5.825) 11.743 2.815 ( 5.225 0.990 3.141) 6.177 3.149 ( 0.760 -4.789 0.428) 4.868 3.239 ( -2.051 -0.228 2.380) 3.150 3.299 ( 1.316 -2.896 -3.867) 5.007 3.800 ( -0.244 10.113 -6.704) 12.136 3.905 ( -1.160 3.462 2.102) 4.213 4.131 ( -6.264 10.571 2.156) 12.475 8.317 ( -13.623 -7.710 -2.528) 15.856 9.245 ( -1.503 -3.128 -3.203) 4.723 9.332 ( 12.926 2.620 0.724) 13.209 11.432 ( -18.750 7.719 9.248) 22.286 15.556 ( -6.506 10.132 -1.628) 12.151 16.943 ( 14.967 7.041 -2.491) 16.727 ======================= Grid point 432 (193/429) ======================= q-point: ( 0.36 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -3.830 -5.910 2.997) 7.654 0.940 ( 7.348 -0.179 -0.954) 7.412 1.340 ( 3.282 -2.103 3.320) 5.120 1.617 ( 4.566 -9.184 -1.590) 10.379 1.739 ( 2.514 -4.172 -0.192) 4.875 2.014 ( -1.662 3.161 0.186) 3.576 2.339 ( 7.884 -3.112 -6.862) 10.905 2.470 ( 1.322 -13.349 3.280) 13.810 2.839 ( 4.779 0.793 1.640) 5.114 3.209 ( 1.063 2.819 2.377) 3.838 3.223 ( -1.377 -2.205 -0.830) 2.729 3.335 ( 1.510 -1.615 -5.062) 5.524 3.607 ( -4.668 3.090 -2.752) 6.238 3.872 ( 1.116 2.045 2.698) 3.565 3.977 ( -2.626 4.744 0.371) 5.435 8.325 ( -7.765 -1.439 -1.441) 8.027 9.239 ( -8.166 -0.026 -2.554) 8.556 9.358 ( 12.503 1.840 -0.924) 12.672 11.212 ( -13.863 8.947 6.327) 17.671 15.323 ( -6.902 9.454 -1.060) 11.754 16.886 ( 12.800 7.527 -0.684) 14.865 ======================= Grid point 433 (194/429) ======================= q-point: ( 0.43 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 4.794 0.428 -0.925) 4.901 1.012 ( 0.482 -5.840 0.801) 5.915 1.402 ( 1.613 -2.458 2.181) 3.661 1.780 ( -0.417 -6.846 -1.099) 6.946 1.851 ( 9.844 -3.793 -0.382) 10.556 1.948 ( -6.942 0.616 0.966) 7.036 2.391 ( 5.912 -0.406 -3.306) 6.786 2.661 ( 0.554 -4.037 -0.588) 4.117 2.901 ( 4.828 -5.823 0.701) 7.596 3.117 ( -3.310 4.524 -1.517) 5.807 3.270 ( 2.121 -2.342 -0.086) 3.161 3.385 ( 0.746 -4.782 -0.465) 4.863 3.598 ( -1.768 -2.853 -0.310) 3.371 3.872 ( -0.048 -0.718 2.795) 2.886 3.905 ( -0.307 2.646 0.263) 2.676 8.283 ( -2.082 1.986 -0.123) 2.880 9.133 ( -10.180 4.171 -0.249) 11.004 9.427 ( 9.221 -2.983 -2.472) 10.002 10.986 ( -9.226 10.180 4.141) 14.349 15.139 ( -5.733 5.857 0.236) 8.199 16.814 ( 9.609 7.460 -0.294) 12.169 ======================= Grid point 434 (195/429) ======================= q-point: ( 0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 6.664 -0.225 -0.814) 6.718 1.139 ( -0.778 -7.534 -0.348) 7.582 1.472 ( 0.846 -3.587 1.498) 3.979 1.828 ( -4.721 -0.650 -3.230) 5.757 1.931 ( -5.214 -4.526 3.578) 7.777 1.993 ( 9.113 -2.762 -0.082) 9.523 2.408 ( 2.578 -0.227 -0.924) 2.748 2.660 ( 3.125 3.277 -2.428) 5.138 2.965 ( -1.950 3.315 -3.889) 5.470 3.130 ( 1.281 -8.990 2.779) 9.497 3.342 ( 2.434 -4.105 -0.705) 4.824 3.494 ( 1.356 -5.617 0.813) 5.836 3.652 ( -0.906 -3.391 0.933) 3.632 3.866 ( 0.612 1.675 2.025) 2.699 3.918 ( -0.655 -2.727 1.487) 3.174 8.242 ( 2.398 2.413 0.988) 3.542 8.981 ( -12.489 4.694 0.892) 13.372 9.556 ( 8.566 -6.198 -2.847) 10.950 10.769 ( -5.829 9.775 3.262) 11.839 15.047 ( -3.456 1.428 1.049) 3.884 16.727 ( 6.034 6.850 -0.457) 9.140 ======================= Grid point 435 (196/429) ======================= q-point: ( 0.57 0.14 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 8.016 -0.503 -0.537) 8.050 1.252 ( -3.263 -5.692 -0.743) 6.603 1.543 ( 0.885 -1.707 1.446) 2.406 1.786 ( -4.452 -0.567 -2.696) 5.235 1.996 ( -4.998 -3.874 2.433) 6.775 2.077 ( 8.243 -0.624 -0.668) 8.293 2.447 ( -0.614 -3.804 0.695) 3.915 2.570 ( 2.221 7.043 -1.979) 7.645 2.871 ( -1.247 3.735 -2.723) 4.788 3.304 ( 2.550 -6.449 0.892) 6.992 3.437 ( 1.924 -4.823 -2.122) 5.609 3.604 ( 2.410 -4.788 -0.483) 5.382 3.709 ( -2.050 -3.456 1.207) 4.196 3.870 ( 2.415 0.159 3.433) 4.200 3.961 ( -2.265 -2.014 1.229) 3.270 8.238 ( 5.520 1.108 1.452) 5.814 8.827 ( -14.250 3.466 1.047) 14.702 9.727 ( 9.693 -7.386 -3.041) 12.560 10.601 ( -4.497 5.944 3.044) 8.051 15.048 ( -1.018 -2.310 0.666) 2.611 16.634 ( 2.699 5.830 -0.560) 6.448 ======================= Grid point 436 (197/429) ======================= q-point: (-0.36 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 9.340 0.071 -0.485) 9.353 1.297 ( -4.944 -2.541 -0.794) 5.615 1.508 ( -2.410 5.210 0.778) 5.793 1.803 ( 0.638 -2.426 -1.509) 2.928 2.021 ( -3.793 -0.824 1.217) 4.068 2.105 ( 4.567 1.248 -1.845) 5.082 2.436 ( 0.949 7.286 -0.286) 7.354 2.543 ( -2.397 -6.524 0.941) 7.014 2.797 ( 0.984 3.265 -0.743) 3.490 3.398 ( 2.585 -2.505 -1.631) 3.952 3.490 ( 1.355 -0.404 -3.000) 3.317 3.656 ( 0.747 -0.138 -3.091) 3.183 3.803 ( -0.185 -7.376 -0.389) 7.388 3.884 ( 0.065 1.284 1.701) 2.132 3.984 ( -1.346 -1.360 2.555) 3.192 8.280 ( 7.574 -0.800 1.235) 7.716 8.699 ( -14.751 1.225 0.796) 14.823 9.903 ( 11.634 -5.656 -3.623) 13.433 10.538 ( -5.360 -1.531 2.612) 6.156 15.114 ( 0.686 -4.721 -0.705) 4.822 16.544 ( 0.040 4.578 -0.392) 4.595 ======================= Grid point 437 (198/429) ======================= q-point: (-0.29 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 9.528 1.859 -0.614) 9.727 1.285 ( -1.622 1.571 -1.115) 2.518 1.374 ( -6.633 5.066 0.217) 8.349 1.809 ( 1.577 2.788 -1.260) 3.442 2.007 ( -0.422 0.868 0.598) 1.135 2.063 ( -0.584 3.820 -2.782) 4.762 2.333 ( -0.628 3.986 1.285) 4.235 2.626 ( -1.194 -2.794 -0.541) 3.086 2.771 ( 1.347 0.884 2.909) 3.326 3.418 ( 1.312 1.058 -4.810) 5.096 3.456 ( 2.870 2.722 -2.419) 4.637 3.614 ( -0.558 2.775 -4.454) 5.277 3.813 ( -2.372 3.941 0.218) 4.605 3.955 ( 1.050 -7.815 -4.035) 8.858 4.006 ( -1.355 -0.560 0.978) 1.763 8.367 ( 9.025 -2.669 0.864) 9.451 8.618 ( -13.878 -1.747 0.614) 14.001 10.027 ( 11.725 -1.999 -5.945) 13.297 10.622 ( -6.057 -9.977 2.900) 12.026 15.215 ( 1.350 -6.081 -2.044) 6.556 16.465 ( -1.673 3.317 -0.152) 3.718 ======================= Grid point 438 (199/429) ======================= q-point: (-0.21 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 5.703 5.604 -0.250) 7.999 1.171 ( 0.441 9.134 0.560) 9.162 1.313 ( -4.926 -1.606 -2.634) 5.812 1.730 ( 1.096 4.606 -1.934) 5.114 1.917 ( 0.175 8.047 -1.914) 8.273 2.022 ( -2.038 -0.948 0.002) 2.247 2.272 ( -0.834 3.571 0.740) 3.741 2.638 ( 0.215 0.460 0.292) 0.585 2.760 ( -0.204 3.566 4.095) 5.434 3.328 ( 0.954 5.510 -4.968) 7.480 3.436 ( 2.557 1.491 -2.930) 4.165 3.526 ( -0.508 3.530 -5.436) 6.502 3.731 ( -1.290 3.192 0.116) 3.444 3.989 ( -2.794 0.493 -2.385) 3.707 4.070 ( 0.490 -6.359 -7.194) 9.614 8.483 ( 7.833 -3.339 0.864) 8.558 8.611 ( -9.875 -5.584 0.433) 11.353 10.069 ( 8.616 0.535 -10.669) 13.725 10.837 ( -5.374 -14.718 5.183) 16.504 15.335 ( 0.976 -7.044 -2.259) 7.462 16.403 ( -1.847 2.104 -0.104) 2.801 ======================= Grid point 439 (200/429) ======================= q-point: (-0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -0.886 10.002 2.005) 10.240 1.013 ( 1.808 8.060 0.122) 8.262 1.295 ( -0.096 1.114 -4.156) 4.304 1.676 ( 0.444 1.359 -0.588) 1.546 1.762 ( -1.464 6.733 -0.811) 6.938 2.035 ( 1.445 -0.704 -1.320) 2.079 2.178 ( -0.551 6.227 -0.048) 6.251 2.609 ( -0.602 5.737 2.912) 6.462 2.661 ( 0.119 5.857 2.368) 6.318 3.223 ( 1.155 3.916 -4.470) 6.054 3.393 ( -0.756 2.251 -1.885) 3.032 3.455 ( 1.515 2.488 -5.164) 5.929 3.695 ( 0.616 0.314 -0.622) 0.930 3.953 ( -3.242 -0.456 -4.072) 5.225 4.136 ( -1.120 -4.616 -8.644) 9.863 8.563 ( -2.656 -3.761 1.136) 4.742 8.724 ( 3.040 -7.885 0.174) 8.453 10.018 ( 4.443 3.905 -15.944) 17.006 11.120 ( -6.010 -16.526 8.324) 19.456 15.465 ( -0.957 -7.698 -1.063) 7.830 16.374 ( 1.181 0.338 -0.150) 1.237 ======================= Grid point 440 (201/429) ======================= q-point: (-0.07 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( -0.383 9.067 2.714) 9.472 0.879 ( 1.512 7.791 3.116) 8.527 1.227 ( 2.884 6.091 -2.902) 7.337 1.585 ( -6.888 5.056 0.761) 8.578 1.734 ( 2.180 -1.275 0.781) 2.643 1.996 ( 1.917 7.247 -0.696) 7.528 2.107 ( 4.289 0.167 -2.481) 4.958 2.398 ( -1.360 14.467 3.060) 14.849 2.636 ( 1.582 0.688 1.959) 2.610 3.170 ( 0.760 1.178 -2.697) 3.039 3.341 ( -1.460 1.981 -1.781) 3.038 3.399 ( 1.744 2.635 -4.673) 5.642 3.713 ( 1.816 -1.565 -0.953) 2.580 3.949 ( -2.593 -2.866 -3.294) 5.079 4.177 ( -3.765 -5.866 -6.975) 9.861 8.616 ( -6.091 -4.205 1.167) 7.493 8.896 ( 7.618 -6.528 -0.009) 10.033 9.830 ( 0.083 10.841 -19.186) 22.037 11.423 ( -9.814 -17.017 10.520) 22.283 15.590 ( -4.389 -7.562 0.944) 8.794 16.424 ( 8.751 -3.087 -0.323) 9.286 ======================= Grid point 444 (202/429) ======================= q-point: ( 0.21 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 2.068 -0.000 3.173) 3.788 0.814 ( -12.279 0.000 5.312) 13.379 0.954 ( 16.847 -0.000 3.043) 17.119 1.509 ( -2.352 0.000 -1.236) 2.657 1.536 ( 3.222 -0.000 5.308) 6.209 1.715 ( 3.207 -0.000 0.763) 3.297 2.182 ( 7.130 -0.000 -4.186) 8.268 2.279 ( 7.942 -0.000 -8.056) 11.313 2.862 ( 5.161 -0.000 2.329) 5.662 2.967 ( 0.715 -0.000 5.772) 5.816 3.190 ( -0.084 0.000 -4.995) 4.995 3.271 ( -1.896 0.000 4.604) 4.979 3.921 ( 4.678 -0.000 -2.517) 5.312 4.053 ( -1.528 0.000 -2.651) 3.060 4.520 ( -11.958 0.000 2.388) 12.194 7.998 ( -16.467 0.000 -0.566) 16.477 9.215 ( 11.668 -0.000 0.566) 11.682 9.363 ( 9.437 -0.000 2.452) 9.750 11.587 ( -25.166 0.000 10.873) 27.415 15.784 ( -4.546 0.000 -2.817) 5.348 17.100 ( 14.587 -0.000 -5.580) 15.618 ======================= Grid point 445 (203/429) ======================= q-point: ( 0.29 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -4.922 -2.424 5.256) 7.598 0.830 ( -2.390 -5.718 3.517) 7.126 1.103 ( 14.076 -5.028 1.236) 14.998 1.526 ( 3.315 2.993 2.059) 4.918 1.549 ( -1.226 -5.283 -1.078) 5.530 1.868 ( 2.619 -12.272 0.860) 12.578 2.170 ( 5.772 3.213 -3.939) 7.691 2.309 ( 8.051 -0.866 -5.183) 9.614 2.882 ( 4.812 1.442 2.965) 5.834 3.054 ( 0.506 -5.344 2.907) 6.105 3.197 ( 0.070 -2.670 -4.018) 4.825 3.277 ( -2.250 0.013 4.633) 5.150 3.917 ( 4.914 2.874 -5.789) 8.119 3.979 ( -2.800 5.090 -1.013) 5.897 4.325 ( -9.647 12.547 3.366) 16.181 8.019 ( -15.543 -11.178 -1.392) 19.196 9.259 ( 6.909 2.103 0.021) 7.222 9.439 ( 12.516 0.170 1.839) 12.651 11.441 ( -24.228 3.493 8.712) 25.982 15.674 ( -5.090 6.891 -4.052) 9.477 17.127 ( 13.818 4.247 -2.569) 14.683 ======================= Grid point 446 (204/429) ======================= q-point: ( 0.36 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( -7.738 -4.914 5.751) 10.821 0.959 ( 8.309 -4.106 0.034) 9.268 1.293 ( 4.245 -7.199 2.498) 8.723 1.518 ( 2.074 -1.072 -1.005) 2.542 1.665 ( 5.295 -6.239 -1.001) 8.244 2.108 ( 3.315 5.203 -2.087) 6.513 2.142 ( 1.528 -14.534 -1.350) 14.677 2.369 ( 5.549 -3.105 -2.030) 6.675 2.896 ( 4.210 1.321 2.304) 4.977 3.154 ( -0.636 -4.301 0.450) 4.371 3.237 ( -0.941 -1.676 1.302) 2.322 3.296 ( 1.097 -1.990 -0.207) 2.282 3.723 ( -2.001 12.623 -6.661) 14.412 3.931 ( 1.807 1.896 1.659) 3.101 4.082 ( -5.579 8.999 3.237) 11.072 8.143 ( -11.955 -10.738 -1.283) 16.120 9.224 ( -0.078 3.607 -0.511) 3.644 9.498 ( 13.467 2.723 0.575) 13.751 11.257 ( -20.243 4.658 5.605) 21.515 15.464 ( -5.243 10.138 -3.210) 11.856 17.097 ( 12.391 6.868 -0.170) 14.168 ======================= Grid point 447 (205/429) ======================= q-point: ( 0.43 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -5.566 -6.344 3.373) 9.089 1.056 ( 11.412 0.175 -0.628) 11.431 1.391 ( 1.007 -1.424 2.481) 3.033 1.609 ( -2.954 -8.766 -1.424) 9.359 1.829 ( 12.146 -5.915 -0.943) 13.542 1.991 ( -2.374 6.982 0.565) 7.396 2.347 ( 2.754 -6.897 -6.371) 9.785 2.507 ( 0.493 -9.823 2.501) 10.149 2.900 ( 3.576 1.052 0.790) 3.811 3.175 ( -3.051 1.916 -1.366) 3.853 3.275 ( 3.158 -0.522 4.163) 5.251 3.322 ( 2.854 -0.907 -4.064) 5.048 3.546 ( -3.300 0.738 -0.467) 3.414 3.910 ( 0.856 2.578 3.631) 4.534 3.952 ( -2.223 3.540 0.719) 4.242 8.240 ( -4.951 -5.493 0.237) 7.399 9.125 ( -8.012 4.144 -0.269) 9.025 9.517 ( 13.365 3.387 -0.132) 13.788 11.075 ( -14.846 5.608 2.791) 16.114 15.244 ( -4.692 8.936 -0.990) 10.142 17.024 ( 9.938 8.463 0.607) 13.067 ======================= Grid point 448 (206/429) ======================= q-point: ( 0.50 0.21 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -2.199 -6.202 1.935) 6.859 1.096 ( 10.852 1.699 -0.500) 10.995 1.428 ( 0.996 -1.979 0.547) 2.282 1.731 ( -6.075 -5.957 -1.193) 8.591 1.872 ( -6.527 1.600 3.397) 7.530 1.996 ( 12.924 -3.843 -0.707) 13.502 2.414 ( 2.076 -1.401 -2.806) 3.761 2.662 ( 0.844 -4.596 -1.583) 4.933 2.949 ( 2.823 -3.867 -1.671) 5.071 3.068 ( -2.817 3.694 0.016) 4.645 3.309 ( 3.546 -1.155 0.806) 3.815 3.403 ( 1.377 -5.273 1.596) 5.678 3.583 ( -1.175 -3.931 1.069) 4.240 3.889 ( -1.562 0.559 3.874) 4.215 3.914 ( 0.994 1.164 0.781) 1.718 8.291 ( 2.734 -0.570 1.743) 3.292 8.980 ( -13.760 4.404 1.038) 14.485 9.558 ( 12.304 0.004 -0.590) 12.319 10.890 ( -10.197 7.116 1.214) 12.494 15.088 ( -3.465 5.056 1.014) 6.212 16.915 ( 6.992 8.976 0.432) 11.386 ======================= Grid point 449 (207/429) ======================= q-point: ( 0.57 0.21 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 3.907 -2.968 1.298) 5.075 1.147 ( 4.300 -2.468 -0.466) 4.980 1.492 ( 1.419 -4.004 0.448) 4.272 1.721 ( -8.839 -1.325 -1.685) 9.095 1.908 ( -3.778 -4.198 4.298) 7.097 2.114 ( 10.815 -1.557 -0.381) 10.933 2.417 ( -0.661 0.278 0.015) 0.717 2.679 ( 3.812 2.965 -3.935) 6.229 2.904 ( -2.795 2.889 -3.438) 5.290 3.173 ( 1.635 -9.273 2.518) 9.747 3.367 ( 2.372 -2.832 -0.360) 3.712 3.516 ( 0.865 -5.430 1.547) 5.712 3.650 ( -0.656 -3.045 1.107) 3.306 3.898 ( 1.358 -0.045 2.733) 3.052 3.924 ( -1.172 -1.343 2.682) 3.220 8.317 ( 7.982 1.827 2.271) 8.498 8.816 ( -15.636 4.287 2.123) 16.352 9.667 ( 10.880 -4.469 -0.743) 11.786 10.705 ( -7.423 7.465 0.883) 10.564 15.026 ( -1.918 0.728 1.554) 2.574 16.788 ( 4.205 8.467 0.112) 9.454 ======================= Grid point 450 (208/429) ======================= q-point: ( 0.64 0.21 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 7.900 -0.965 0.702) 7.989 1.207 ( -2.859 -3.193 -0.424) 4.307 1.560 ( 0.063 -0.144 1.666) 1.674 1.719 ( -2.676 -4.635 -2.962) 6.117 1.965 ( -3.772 -2.611 3.551) 5.801 2.177 ( 8.763 1.501 -0.414) 8.901 2.427 ( -3.666 -3.441 1.505) 5.248 2.581 ( 2.781 7.188 -3.281) 8.376 2.846 ( 0.203 1.886 -2.127) 2.850 3.338 ( 1.806 -5.940 0.767) 6.255 3.430 ( 0.150 -3.516 -2.602) 4.377 3.620 ( 1.452 -4.256 -0.935) 4.593 3.693 ( -1.795 -2.862 0.707) 3.451 3.913 ( 0.255 0.689 1.493) 1.664 3.966 ( 0.166 -1.964 4.565) 4.972 8.347 ( 10.180 1.579 1.773) 10.453 8.660 ( -14.867 3.408 2.290) 15.424 9.838 ( 10.495 -7.099 -0.681) 12.689 10.546 ( -7.014 5.061 0.698) 8.677 15.042 ( -0.725 -2.635 0.449) 2.769 16.661 ( 2.101 7.276 0.056) 7.573 ======================= Grid point 451 (209/429) ======================= q-point: (-0.29 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 5.405 -0.170 0.501) 5.431 1.227 ( -2.921 -1.995 -1.191) 3.733 1.491 ( -1.071 6.551 1.031) 6.718 1.810 ( 2.243 -4.024 -2.102) 5.064 1.988 ( -3.273 -0.992 2.831) 4.440 2.151 ( 4.318 4.702 -1.426) 6.541 2.439 ( 0.167 6.665 -0.425) 6.680 2.526 ( -0.899 -5.983 0.270) 6.056 2.815 ( 2.134 1.593 0.203) 2.671 3.412 ( 2.508 -1.165 -2.359) 3.634 3.460 ( -1.904 -1.498 -3.385) 4.163 3.633 ( 0.332 1.538 -3.968) 4.268 3.788 ( -1.119 -7.267 -1.252) 7.459 3.879 ( -1.932 2.670 0.707) 3.371 4.013 ( 0.949 -0.178 4.016) 4.131 8.401 ( 10.180 -0.412 0.832) 10.222 8.539 ( -12.337 1.520 1.939) 12.581 10.024 ( 11.422 -5.215 -1.090) 12.603 10.461 ( -9.192 -1.924 -0.011) 9.391 15.107 ( -0.426 -4.796 -1.361) 5.004 16.550 ( 1.029 5.816 0.188) 5.910 ======================= Grid point 452 (210/429) ======================= q-point: (-0.21 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -4.837 1.015 -0.153) 4.945 1.263 ( 4.091 -0.704 -1.970) 4.595 1.349 ( 1.920 8.711 0.788) 8.955 1.817 ( 1.394 3.571 -1.699) 4.193 2.001 ( -0.997 -0.590 2.175) 2.465 2.056 ( 2.118 6.787 -2.800) 7.641 2.332 ( -0.715 4.047 0.473) 4.137 2.618 ( 0.069 -3.244 0.031) 3.245 2.816 ( 2.272 0.885 3.021) 3.882 3.387 ( -0.003 2.860 -4.922) 5.693 3.454 ( 0.733 0.132 -3.034) 3.124 3.562 ( -0.682 3.492 -6.027) 6.999 3.796 ( -1.245 3.989 0.262) 4.187 3.914 ( -1.922 -7.111 -4.535) 8.650 4.005 ( -0.399 2.303 1.375) 2.712 8.469 ( -11.408 -2.647 0.702) 11.732 8.502 ( 11.681 -1.517 1.017) 11.823 10.105 ( 7.750 1.772 -5.091) 9.440 10.549 ( -8.296 -13.033 1.801) 15.554 15.197 ( -1.206 -6.295 -2.498) 6.879 16.464 ( 1.345 4.312 0.158) 4.520 ======================= Grid point 453 (211/429) ======================= q-point: (-0.14 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -5.335 3.737 -0.161) 6.516 1.169 ( -0.273 8.839 -0.326) 8.850 1.307 ( 6.164 1.138 -2.281) 6.671 1.729 ( 1.237 4.607 -2.018) 5.180 1.897 ( 0.265 8.343 -2.041) 8.593 2.028 ( 1.483 -0.386 0.834) 1.745 2.270 ( -0.280 3.523 0.475) 3.566 2.649 ( 0.898 -0.126 0.503) 1.037 2.798 ( 1.460 4.679 3.728) 6.158 3.292 ( -0.106 4.677 -4.913) 6.784 3.421 ( -1.397 2.418 -2.955) 4.066 3.480 ( 1.243 2.047 -5.961) 6.425 3.726 ( 0.232 2.649 -0.906) 2.809 3.937 ( -2.912 2.178 -1.765) 4.042 4.004 ( -1.629 -5.008 -6.474) 8.345 8.463 ( -9.159 -3.637 0.831) 9.890 8.645 ( 11.624 -5.330 0.438) 12.795 10.042 ( 0.887 3.811 -10.839) 11.524 10.805 ( -6.049 -16.732 5.308) 18.566 15.301 ( -3.257 -7.449 -2.199) 8.422 16.416 ( 3.833 2.315 -0.174) 4.482 ======================= Grid point 454 (212/429) ======================= q-point: (-0.07 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -3.647 8.202 0.440) 8.987 1.028 ( 0.524 6.672 0.161) 6.695 1.296 ( 4.234 2.142 -3.349) 5.807 1.658 ( -2.046 4.212 0.204) 4.687 1.766 ( 2.824 4.463 -0.941) 5.365 2.051 ( 2.553 -0.601 -1.531) 3.037 2.188 ( 2.373 5.587 0.080) 6.070 2.629 ( -0.023 6.154 2.704) 6.723 2.696 ( 2.907 5.868 1.864) 6.809 3.199 ( 0.751 3.109 -4.061) 5.169 3.354 ( -2.941 1.787 -1.709) 3.842 3.434 ( 1.637 2.094 -4.948) 5.616 3.703 ( 1.683 -0.045 -2.123) 2.709 3.883 ( -3.363 -0.072 -2.698) 4.312 4.043 ( -3.192 -3.913 -6.860) 8.518 8.494 ( -7.679 -4.748 0.675) 9.053 8.831 ( 11.699 -6.681 0.422) 13.479 9.891 ( -4.467 6.018 -15.047) 16.810 11.104 ( -7.387 -16.612 8.419) 20.035 15.410 ( -6.311 -8.056 -0.799) 10.265 16.438 ( 8.985 -1.076 -0.657) 9.073 ======================= Grid point 459 (213/429) ======================= q-point: ( 0.29 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -11.298 0.000 7.520) 13.572 0.727 ( 1.564 -0.000 1.986) 2.528 1.173 ( 15.100 -0.000 2.135) 15.250 1.471 ( -1.820 0.000 -1.635) 2.447 1.602 ( 4.792 -0.000 -0.607) 4.830 1.755 ( 2.648 -0.000 0.417) 2.680 2.216 ( 6.486 -0.000 -5.102) 8.252 2.333 ( 6.841 -0.000 -2.929) 7.442 2.936 ( 4.212 -0.000 1.490) 4.467 3.019 ( 0.512 -0.000 4.883) 4.910 3.149 ( 0.043 -0.000 -4.981) 4.981 3.282 ( -3.693 0.000 6.183) 7.202 3.946 ( 4.713 -0.000 -5.747) 7.432 4.008 ( -2.098 0.000 -2.308) 3.119 4.409 ( -9.687 0.000 2.818) 10.088 7.809 ( -13.914 0.000 -0.359) 13.918 9.342 ( 8.925 -0.000 0.111) 8.925 9.520 ( 12.833 -0.000 2.604) 13.095 11.346 ( -27.084 0.000 6.984) 27.970 15.692 ( -4.257 0.000 -5.992) 7.350 17.238 ( 12.570 -0.000 -0.956) 12.606 ======================= Grid point 460 (214/429) ======================= q-point: ( 0.36 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( -9.324 -1.743 7.420) 12.043 0.856 ( 2.297 -9.503 1.077) 9.836 1.251 ( 6.903 -0.674 1.427) 7.081 1.524 ( -1.222 -3.170 -1.100) 3.571 1.599 ( 10.116 -1.079 -2.637) 10.509 1.892 ( 1.898 -10.921 -1.421) 11.175 2.220 ( 7.141 2.634 -2.192) 7.921 2.355 ( 3.593 -0.224 -1.923) 4.081 2.950 ( 3.071 1.136 1.511) 3.606 3.078 ( -0.405 -3.656 2.570) 4.487 3.167 ( 0.692 -3.653 -4.148) 5.570 3.285 ( -3.731 -0.313 6.318) 7.344 3.887 ( 1.973 7.085 -10.227) 12.597 3.973 ( 0.830 1.329 1.142) 1.939 4.252 ( -7.528 10.598 4.296) 13.691 7.845 ( -11.908 -11.160 -0.245) 16.322 9.335 ( 5.498 5.361 0.010) 7.680 9.611 ( 13.560 0.422 1.596) 13.660 11.191 ( -25.701 1.372 4.188) 26.076 15.580 ( -3.509 6.591 -5.774) 9.439 17.272 ( 11.131 4.011 1.050) 11.878 ======================= Grid point 461 (215/429) ======================= q-point: ( 0.43 0.29 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( -7.545 -5.226 5.525) 10.713 1.060 ( 7.635 -7.433 0.116) 10.656 1.320 ( -2.241 -5.398 1.399) 6.010 1.511 ( -0.359 0.418 -2.115) 2.186 1.777 ( 14.224 -7.634 -1.797) 16.243 2.101 ( 1.935 -7.075 -4.902) 8.822 2.169 ( 1.691 2.200 0.566) 2.833 2.397 ( 0.523 -4.017 0.523) 4.085 2.946 ( 1.859 1.409 0.742) 2.448 3.140 ( -2.128 -2.665 0.187) 3.416 3.239 ( 1.013 -4.054 -0.575) 4.218 3.319 ( 0.093 -2.650 3.762) 4.603 3.661 ( 0.710 12.289 -6.618) 13.975 3.964 ( 1.826 1.277 0.643) 2.319 4.049 ( -4.899 8.324 4.771) 10.773 8.023 ( -7.420 -13.222 1.112) 15.203 9.222 ( -0.161 8.380 -0.258) 8.385 9.661 ( 12.522 3.159 0.668) 12.931 11.037 ( -20.386 1.239 1.266) 20.462 15.388 ( -2.723 9.471 -3.362) 10.413 17.234 ( 9.014 7.314 1.901) 11.763 ======================= Grid point 462 (216/429) ======================= q-point: ( 0.50 0.29 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( -4.585 -7.198 3.849) 9.363 1.181 ( 9.154 -0.766 -1.175) 9.261 1.413 ( 1.859 -2.215 0.592) 2.951 1.542 ( -6.401 -7.926 -0.960) 10.233 1.951 ( 0.325 5.701 1.793) 5.985 2.005 ( 11.856 -1.393 -1.280) 12.007 2.313 ( -0.530 -8.696 -4.936) 10.013 2.517 ( -1.546 -8.357 1.597) 8.648 2.933 ( 1.554 0.594 -0.494) 1.736 3.123 ( -3.152 2.687 -2.204) 4.692 3.330 ( 2.266 -4.207 0.430) 4.798 3.363 ( 5.279 1.836 2.635) 6.179 3.518 ( -1.490 -0.715 0.622) 1.766 3.929 ( -3.179 3.391 2.762) 5.408 3.952 ( 1.404 2.061 2.284) 3.382 8.222 ( -0.056 -9.442 3.305) 10.004 9.037 ( -6.605 8.910 0.061) 11.091 9.668 ( 10.995 3.473 0.563) 11.544 10.904 ( -14.258 2.284 -0.914) 14.468 15.199 ( -1.926 8.237 -0.266) 8.464 17.132 ( 6.426 9.440 1.613) 11.533 ======================= Grid point 463 (217/429) ======================= q-point: ( 0.57 0.29 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( -2.197 -7.345 3.129) 8.280 1.216 ( 8.329 1.586 -1.362) 8.588 1.448 ( 3.630 -1.558 -1.473) 4.216 1.631 ( -8.451 -3.169 0.797) 9.060 1.839 ( -4.451 -0.544 4.393) 6.278 2.150 ( 13.039 -2.323 -0.638) 13.260 2.396 ( -2.171 -2.700 -1.591) 3.812 2.653 ( 0.707 -5.822 -3.047) 6.609 2.929 ( -1.307 2.092 -4.137) 4.816 3.060 ( -0.585 -2.401 1.591) 2.939 3.363 ( 4.247 -0.088 0.600) 4.290 3.445 ( 1.949 -4.032 4.198) 6.138 3.586 ( -0.119 -4.396 1.591) 4.676 3.900 ( -1.522 -0.267 3.493) 3.819 3.935 ( 0.465 1.245 1.908) 2.325 8.381 ( 8.023 -3.244 4.411) 9.714 8.833 ( -11.962 7.117 1.331) 13.983 9.693 ( 9.425 0.318 0.824) 9.467 10.765 ( -9.819 4.463 -1.746) 10.926 15.073 ( -1.091 4.682 1.771) 5.123 16.987 ( 3.933 10.020 0.948) 10.806 ======================= Grid point 464 (218/429) ======================= q-point: (-0.36 -0.71 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -2.443 -5.580 2.447) 6.565 1.228 ( 7.225 1.396 -0.782) 7.400 1.527 ( 4.895 -4.722 -1.265) 6.918 1.606 ( -8.320 -1.684 0.891) 8.535 1.907 ( -2.157 -4.175 4.439) 6.464 2.242 ( 10.394 -0.469 -0.190) 10.406 2.388 ( -4.707 0.287 0.678) 4.764 2.683 ( 3.333 2.744 -5.873) 7.290 2.850 ( -1.967 0.993 -2.609) 3.415 3.197 ( -0.524 -9.082 1.256) 9.184 3.397 ( 2.895 -0.689 0.457) 3.011 3.542 ( 0.600 -4.206 2.911) 5.150 3.655 ( 0.472 -2.163 0.571) 2.286 3.927 ( -0.090 0.465 1.554) 1.625 3.943 ( -0.028 -2.702 4.713) 5.432 8.469 ( 13.343 2.327 3.018) 13.877 8.654 ( -14.399 4.384 3.107) 15.369 9.786 ( 8.050 -4.360 1.261) 9.241 10.610 ( -7.505 5.923 -1.512) 9.680 15.025 ( -0.405 0.937 1.827) 2.093 16.829 ( 2.067 9.238 0.482) 9.479 ======================= Grid point 465 (219/429) ======================= q-point: (-0.29 -0.71 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -5.858 -2.623 1.042) 6.503 1.255 ( 7.330 0.081 -0.228) 7.334 1.573 ( -0.804 2.058 2.290) 3.182 1.683 ( 1.822 -8.619 -3.655) 9.538 1.967 ( -1.309 -1.551 4.635) 5.060 2.260 ( 3.574 4.132 -0.677) 5.505 2.403 ( -0.871 -4.928 1.760) 5.305 2.580 ( 1.876 6.747 -3.889) 8.011 2.838 ( 1.247 -0.035 -2.338) 2.650 3.343 ( -2.007 -6.755 -0.719) 7.083 3.419 ( 1.642 -0.146 -1.090) 1.976 3.628 ( 0.945 -2.850 -0.361) 3.024 3.679 ( -0.895 -1.814 0.049) 2.024 3.913 ( -1.423 1.549 1.594) 2.638 4.019 ( 1.315 -2.268 4.593) 5.288 8.463 ( -1.527 3.524 0.201) 3.845 8.558 ( 2.634 2.605 4.396) 5.749 9.954 ( 7.363 -7.924 1.769) 10.961 10.451 ( -7.442 5.600 -1.629) 9.455 15.039 ( -0.256 -1.871 0.337) 1.918 16.683 ( 1.184 7.649 0.315) 7.747 ======================= Grid point 466 (220/429) ======================= q-point: (-0.21 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -7.695 -1.065 -0.144) 7.769 1.298 ( 6.439 0.118 -0.679) 6.475 1.505 ( 1.576 6.081 1.299) 6.415 1.815 ( 1.906 -4.259 -2.627) 5.355 1.999 ( 0.465 -0.852 4.072) 4.186 2.169 ( 0.025 5.587 -1.574) 5.804 2.439 ( 0.862 7.421 -1.024) 7.541 2.528 ( 0.935 -6.121 0.264) 6.198 2.846 ( 2.890 -0.241 -0.260) 2.912 3.393 ( -3.687 -0.582 -3.253) 4.951 3.426 ( 2.298 -1.131 -2.110) 3.318 3.603 ( 0.390 3.302 -4.480) 5.578 3.761 ( -1.830 -6.153 -0.751) 6.463 3.862 ( -1.873 3.416 1.262) 4.095 4.055 ( 0.826 1.086 3.235) 3.511 8.384 ( -9.963 0.357 0.919) 10.012 8.584 ( 12.806 1.664 1.706) 13.026 10.156 ( 9.864 -4.878 1.818) 11.153 10.320 ( -12.190 -1.251 -2.706) 12.549 15.086 ( -0.951 -3.810 -1.321) 4.143 16.568 ( 1.506 5.792 0.160) 5.987 ======================= Grid point 467 (221/429) ======================= q-point: (-0.14 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -7.649 -0.071 -0.816) 7.693 1.295 ( 2.706 4.147 -1.261) 5.109 1.409 ( 5.470 5.640 0.562) 7.877 1.815 ( 0.881 3.444 -1.497) 3.858 2.027 ( 2.361 3.249 0.165) 4.020 2.056 ( 0.569 3.815 -0.737) 3.927 2.327 ( -0.420 3.966 0.406) 4.009 2.621 ( 0.399 -3.326 -0.348) 3.368 2.873 ( 3.563 0.517 2.150) 4.193 3.335 ( -2.853 2.676 -3.762) 5.427 3.437 ( 1.128 0.716 -3.573) 3.815 3.511 ( 0.440 3.614 -5.728) 6.787 3.781 ( -1.606 4.028 0.114) 4.338 3.851 ( -2.770 -5.547 -3.067) 6.918 4.015 ( 0.111 4.195 1.137) 4.348 8.349 ( -9.246 -2.443 0.761) 9.594 8.664 ( 13.596 -1.344 0.533) 13.672 10.100 ( -2.473 6.634 -6.063) 9.321 10.487 ( -3.773 -15.892 3.234) 16.651 15.154 ( -2.683 -5.334 -1.950) 6.282 16.494 ( 3.369 3.680 -0.232) 4.994 ======================= Grid point 468 (222/429) ======================= q-point: (-0.07 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -6.095 2.335 -1.293) 6.654 1.168 ( 0.782 8.546 -1.041) 8.645 1.368 ( 5.141 3.505 -0.738) 6.266 1.733 ( 2.140 4.799 -1.204) 5.391 1.896 ( 1.798 7.467 -1.877) 7.906 2.054 ( 1.613 0.179 0.152) 1.630 2.278 ( 1.199 2.782 0.796) 3.132 2.661 ( 0.662 -1.076 -0.320) 1.303 2.856 ( 3.643 5.450 2.893) 7.166 3.246 ( -1.994 3.327 -3.707) 5.365 3.370 ( -1.588 3.168 -3.992) 5.338 3.460 ( 1.726 1.761 -4.056) 4.746 3.710 ( -0.820 1.899 -2.100) 2.948 3.892 ( -2.271 0.043 -1.549) 2.749 3.946 ( -1.250 0.242 -2.981) 3.242 8.364 ( -7.768 -4.315 0.388) 8.894 8.803 ( 13.324 -4.599 0.317) 14.099 9.915 ( -7.544 6.569 -10.188) 14.278 10.788 ( -4.220 -16.818 5.915) 18.321 15.232 ( -5.440 -6.491 -1.411) 8.586 16.481 ( 7.110 0.628 -0.726) 7.174 ======================= Grid point 474 (223/429) ======================= q-point: ( 0.36 0.36 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( -9.793 0.000 7.331) 12.233 0.754 ( 0.651 -0.000 1.287) 1.442 1.310 ( 3.907 -0.000 0.391) 3.927 1.440 ( -1.017 0.000 -1.905) 2.160 1.676 ( 13.009 -0.000 -4.628) 13.807 1.784 ( 1.854 -0.000 0.125) 1.858 2.274 ( 7.183 -0.000 -1.337) 7.307 2.375 ( 2.738 -0.000 -1.345) 3.051 2.979 ( 1.637 -0.000 0.072) 1.639 3.051 ( -1.185 0.000 3.243) 3.453 3.115 ( 1.210 -0.000 -4.527) 4.686 3.283 ( -4.799 0.000 7.031) 8.512 3.920 ( 2.550 -0.000 -11.317) 11.600 3.995 ( 0.655 -0.000 1.059) 1.245 4.335 ( -6.792 0.000 3.664) 7.717 7.664 ( -9.887 0.000 0.088) 9.887 9.430 ( 5.861 -0.000 -0.387) 5.873 9.703 ( 13.942 -0.000 1.989) 14.083 11.049 ( -27.817 0.000 1.955) 27.886 15.600 ( -1.963 0.000 -6.928) 7.201 17.380 ( 9.571 -0.000 2.638) 9.928 ======================= Grid point 475 (224/429) ======================= q-point: ( 0.43 0.36 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( -8.469 -1.989 6.525) 10.874 0.888 ( 1.451 -11.558 0.943) 11.687 1.276 ( -2.444 1.326 -0.881) 2.917 1.493 ( -1.283 -3.058 -2.455) 4.126 1.740 ( 14.822 -3.181 -2.817) 15.419 1.905 ( 3.497 -8.851 -2.149) 9.756 2.301 ( 7.210 3.351 -0.240) 7.955 2.360 ( -1.178 0.358 0.147) 1.240 2.974 ( -0.200 0.845 -0.165) 0.884 3.076 ( -2.440 -2.664 0.908) 3.725 3.155 ( 2.215 -4.336 -2.919) 5.677 3.293 ( -3.598 -1.215 6.978) 7.944 3.825 ( 2.215 6.891 -11.331) 13.446 3.996 ( 1.419 0.934 0.612) 1.805 4.214 ( -5.051 9.325 5.259) 11.838 7.734 ( -6.808 -12.049 0.954) 13.872 9.385 ( 3.103 7.333 -0.599) 7.985 9.782 ( 12.262 1.401 1.203) 12.401 10.899 ( -24.346 -1.186 -0.491) 24.379 15.507 ( -0.713 6.008 -5.651) 8.279 17.405 ( 7.612 4.345 3.469) 9.426 ======================= Grid point 476 (225/429) ======================= q-point: ( 0.50 0.36 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( -5.996 -5.960 5.276) 9.966 1.134 ( 4.493 -10.145 -0.313) 11.100 1.272 ( -6.022 -5.806 -0.238) 8.368 1.489 ( -0.019 1.109 -2.203) 2.466 1.943 ( 14.078 -8.723 -2.760) 16.790 2.091 ( 2.546 -9.859 -3.355) 10.721 2.174 ( -0.820 10.150 -0.288) 10.187 2.406 ( -0.417 -3.716 2.645) 4.580 2.949 ( -1.416 0.907 -0.637) 1.799 3.105 ( -3.184 -1.409 -0.953) 3.610 3.257 ( 2.717 -5.551 -0.421) 6.194 3.353 ( -0.712 -3.998 5.362) 6.726 3.632 ( 3.244 10.107 -6.821) 12.617 3.972 ( -1.202 2.422 0.043) 2.704 4.054 ( -1.274 6.904 5.944) 9.199 7.987 ( -1.524 -15.986 3.369) 16.408 9.210 ( -1.005 11.482 -0.906) 11.561 9.800 ( 8.750 3.686 0.995) 9.546 10.802 ( -16.954 -2.071 -2.587) 17.275 15.348 ( 0.100 8.633 -2.643) 9.029 17.341 ( 5.206 8.132 3.120) 10.147 ======================= Grid point 477 (226/429) ======================= q-point: (-0.43 -0.64 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -3.031 -8.031 4.462) 9.674 1.223 ( 0.916 -2.129 -3.144) 3.906 1.443 ( -8.613 -4.981 -0.671) 9.972 1.477 ( 7.361 -6.255 1.055) 9.717 1.945 ( -2.185 11.475 2.252) 11.896 2.157 ( 12.213 -6.000 -2.492) 13.834 2.270 ( -0.578 -8.242 -2.456) 8.620 2.501 ( -2.109 -7.030 0.718) 7.375 2.928 ( -1.095 0.153 -1.399) 1.783 3.064 ( -3.482 2.246 -2.592) 4.887 3.364 ( 2.796 -3.259 0.412) 4.314 3.448 ( 2.893 -2.335 4.428) 5.782 3.526 ( 2.762 0.070 0.818) 2.882 3.911 ( -2.814 1.820 1.842) 3.824 3.989 ( 0.907 3.301 3.469) 4.874 8.289 ( 4.575 -12.927 5.932) 14.941 8.969 ( -4.043 12.120 -0.598) 12.791 9.779 ( 5.564 3.136 1.452) 6.550 10.731 ( -10.509 -0.167 -3.847) 11.192 15.192 ( 0.570 7.620 0.441) 7.654 17.202 ( 2.722 10.344 2.117) 10.904 ======================= Grid point 478 (227/429) ======================= q-point: (-0.36 -0.64 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -2.141 -7.087 3.612) 8.237 1.252 ( 1.151 -1.560 -2.366) 3.059 1.433 ( -5.734 -3.116 -2.408) 6.956 1.632 ( 7.645 0.641 2.972) 8.227 1.829 ( -3.100 -1.961 4.223) 5.594 2.285 ( 8.519 -2.227 -1.962) 9.021 2.342 ( -4.060 -1.959 0.842) 4.586 2.633 ( 1.879 -6.888 -4.986) 8.708 2.873 ( -2.760 3.795 -3.091) 5.619 3.055 ( -2.169 -5.056 0.656) 5.541 3.414 ( 3.216 -0.870 0.482) 3.366 3.516 ( 2.707 -1.385 5.637) 6.405 3.610 ( 2.545 -4.041 1.428) 4.985 3.908 ( -1.292 -1.899 2.792) 3.616 3.956 ( 0.076 1.948 2.806) 3.417 8.533 ( 6.582 -6.258 6.948) 11.435 8.732 ( -2.966 10.601 -0.095) 11.008 9.785 ( 3.389 -0.540 2.062) 4.004 10.640 ( -6.491 2.905 -3.689) 8.011 15.088 ( 0.881 4.688 2.081) 5.205 17.024 ( 0.732 10.577 1.143) 10.664 ======================= Grid point 479 (228/429) ======================= q-point: (-0.29 -0.64 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -4.701 -3.738 2.059) 6.349 1.279 ( 2.137 -1.178 -0.404) 2.473 1.493 ( -4.165 -7.357 -2.982) 8.965 1.642 ( 7.717 1.730 2.888) 8.420 1.930 ( 0.152 -4.752 4.423) 6.494 2.303 ( -5.848 0.539 -1.155) 5.986 2.366 ( 5.912 -0.805 1.427) 6.135 2.669 ( 3.045 2.825 -6.508) 7.721 2.814 ( -0.990 -0.936 -2.243) 2.624 3.178 ( -3.374 -8.494 0.310) 9.145 3.443 ( 3.405 0.379 0.905) 3.543 3.579 ( 0.663 -2.428 4.275) 4.961 3.673 ( 2.494 -0.673 -0.296) 2.600 3.937 ( -0.440 1.069 1.908) 2.231 3.980 ( -0.033 -3.934 4.281) 5.814 8.516 ( -11.095 5.840 1.975) 12.693 8.682 ( 16.035 2.311 3.949) 16.675 9.865 ( 1.871 -5.398 2.401) 6.197 10.518 ( -4.063 5.509 -2.487) 7.283 15.044 ( 1.002 1.726 1.808) 2.693 16.844 ( -0.321 9.241 0.500) 9.260 ======================= Grid point 480 (229/429) ======================= q-point: (-0.21 -0.64 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -6.930 -1.181 0.517) 7.049 1.319 ( 3.692 -1.267 -0.536) 3.940 1.568 ( -1.907 -1.501 0.992) 2.622 1.718 ( 7.087 -4.820 -2.023) 8.806 2.006 ( 1.165 -1.281 4.942) 5.237 2.229 ( -5.889 2.858 -0.992) 6.620 2.442 ( 3.057 -3.836 0.167) 4.908 2.575 ( 2.736 6.217 -2.589) 7.269 2.834 ( 1.832 -1.709 -3.558) 4.352 3.292 ( -4.253 -5.894 -0.839) 7.317 3.447 ( 3.055 1.333 0.020) 3.333 3.642 ( 1.332 -0.375 0.895) 1.648 3.672 ( 0.175 -0.901 -0.821) 1.231 3.912 ( -1.059 2.212 2.106) 3.233 4.060 ( 0.104 -2.354 3.430) 4.161 8.370 ( -9.192 3.768 1.393) 10.032 8.726 ( 14.464 3.763 2.333) 15.127 10.015 ( -1.284 -9.362 1.711) 9.603 10.373 ( -1.573 7.351 -1.278) 7.626 15.044 ( 0.651 -0.483 0.457) 0.931 16.692 ( -0.227 7.104 0.061) 7.108 ======================= Grid point 481 (230/429) ======================= q-point: (-0.14 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -6.701 -0.522 -0.523) 6.742 1.352 ( 3.960 0.406 -1.076) 4.124 1.536 ( 1.044 4.420 1.389) 4.749 1.826 ( 3.812 -2.655 -2.317) 5.191 2.053 ( 2.466 -1.066 3.677) 4.553 2.127 ( -4.104 4.115 -1.941) 6.128 2.435 ( -0.112 6.273 -1.514) 6.454 2.551 ( 2.119 -3.327 0.303) 3.956 2.875 ( 3.249 -2.406 -2.138) 4.573 3.325 ( -3.921 -0.684 -1.161) 4.146 3.442 ( 3.095 0.496 -2.177) 3.816 3.577 ( 1.097 5.029 -3.499) 6.224 3.739 ( -1.140 -4.363 0.157) 4.512 3.854 ( -1.662 4.137 1.894) 4.844 4.079 ( -0.352 1.541 1.837) 2.424 8.283 ( -7.810 0.647 0.991) 7.899 8.758 ( 13.480 2.177 0.776) 13.676 10.131 ( -13.520 -1.876 -4.569) 14.393 10.289 ( 7.967 -2.335 3.993) 9.213 15.069 ( -0.526 -2.142 -0.652) 2.300 16.584 ( 1.146 4.697 -0.420) 4.853 ======================= Grid point 482 (231/429) ======================= q-point: (-0.07 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -5.072 -0.004 -1.243) 5.222 1.313 ( 2.009 5.998 -1.421) 6.483 1.466 ( 2.785 4.153 0.797) 5.064 1.829 ( 3.671 3.257 -1.218) 5.057 2.014 ( -1.483 5.312 -2.958) 6.258 2.080 ( 1.042 1.186 1.551) 2.213 2.336 ( 1.440 3.528 0.970) 3.932 2.615 ( -0.410 -3.176 -1.412) 3.500 2.930 ( 3.963 -0.977 -0.051) 4.082 3.270 ( -3.578 3.074 -1.673) 5.005 3.422 ( 1.467 3.538 -4.176) 5.667 3.492 ( 2.400 2.411 -2.719) 4.355 3.760 ( -2.131 4.539 0.520) 5.041 3.808 ( -1.549 -3.817 -0.908) 4.218 4.020 ( -0.418 4.753 0.334) 4.783 8.259 ( -6.505 -2.272 0.521) 6.910 8.828 ( 12.548 -1.279 0.150) 12.614 9.957 ( -10.857 6.926 -6.928) 14.623 10.511 ( 1.127 -13.304 4.949) 14.239 15.108 ( -2.798 -3.514 -0.857) 4.573 16.535 ( 4.004 1.821 -0.896) 4.489 ======================= Grid point 489 (232/429) ======================= q-point: ( 0.43 0.43 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -7.268 0.000 6.917) 10.033 0.763 ( -0.638 0.000 0.904) 1.107 1.276 ( -5.605 0.000 -3.521) 6.619 1.417 ( -0.075 0.000 -2.052) 2.053 1.801 ( 0.854 -0.000 -0.047) 0.855 1.833 ( 16.050 -0.000 -4.020) 16.546 2.350 ( 2.766 -0.000 2.828) 3.956 2.391 ( 4.203 -0.000 -1.845) 4.590 2.972 ( -2.156 0.000 -1.108) 2.424 3.030 ( -3.692 0.000 -0.255) 3.701 3.118 ( 3.016 -0.000 -2.074) 3.661 3.287 ( -3.797 0.000 7.420) 8.335 3.849 ( 2.163 -0.000 -13.050) 13.228 4.016 ( 1.082 -0.000 0.811) 1.352 4.305 ( -3.824 0.000 4.634) 6.008 7.577 ( -4.835 0.000 0.546) 4.866 9.477 ( 2.688 -0.000 -0.775) 2.798 9.870 ( 10.805 -0.000 1.110) 10.862 10.728 ( -23.793 0.000 -2.328) 23.906 15.540 ( 0.905 -0.000 -6.280) 6.345 17.504 ( 6.013 -0.000 4.551) 7.541 ======================= Grid point 490 (233/429) ======================= q-point: (-0.50 -0.57 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( -5.982 -1.900 6.626) 9.127 0.904 ( -0.349 -12.960 1.261) 13.025 1.202 ( -6.010 0.770 -3.391) 6.944 1.463 ( -0.223 -3.299 -2.602) 4.208 1.833 ( 2.864 -4.881 -1.604) 5.882 1.967 ( 8.213 -6.113 -3.081) 10.691 2.337 ( 2.012 5.692 -1.208) 6.157 2.399 ( 4.890 0.257 3.284) 5.897 2.942 ( -4.058 0.551 -1.126) 4.247 3.038 ( -3.760 -2.957 -0.658) 4.828 3.171 ( 3.232 -4.370 -1.660) 5.683 3.314 ( -2.358 -1.908 7.138) 7.756 3.760 ( 3.008 5.249 -12.586) 13.965 4.007 ( -0.543 1.736 0.355) 1.853 4.218 ( -1.703 8.078 5.924) 10.161 7.698 ( -1.043 -13.864 1.766) 14.015 9.399 ( 0.412 8.633 -1.082) 8.711 9.904 ( 5.323 2.317 0.935) 5.881 10.627 ( -16.195 -3.700 -3.758) 17.032 15.473 ( 1.872 5.423 -4.789) 7.473 17.507 ( 4.029 4.979 4.484) 7.819 ======================= Grid point 491 (234/429) ======================= q-point: (-0.43 -0.57 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( -3.705 -6.648 5.883) 9.619 1.158 ( 0.679 -5.521 -2.447) 6.078 1.185 ( -7.523 -11.345 0.724) 13.632 1.482 ( 1.471 -0.290 -1.675) 2.248 1.989 ( -2.099 -10.066 -2.919) 10.689 2.105 ( -0.126 -5.866 -2.281) 6.295 2.203 ( 8.389 8.132 -1.445) 11.773 2.446 ( 3.728 -0.890 3.604) 5.261 2.906 ( -4.338 -0.217 -0.906) 4.437 3.050 ( -3.635 -0.531 -2.121) 4.242 3.294 ( 3.469 -6.481 0.157) 7.353 3.383 ( -1.560 -3.948 4.896) 6.480 3.630 ( 5.452 5.740 -6.225) 10.071 3.946 ( -3.117 3.261 0.643) 4.556 4.101 ( 1.056 6.333 5.396) 8.387 8.036 ( 4.187 -18.799 4.392) 19.754 9.187 ( -1.129 12.708 -1.248) 12.819 9.866 ( -0.365 3.408 1.286) 3.661 10.617 ( -7.562 -3.833 -4.617) 9.654 15.344 ( 2.180 7.837 -2.041) 8.387 17.408 ( 1.571 9.152 3.451) 9.907 ======================= Grid point 492 (235/429) ======================= q-point: (-0.36 -0.57 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -1.943 -8.166 4.663) 9.603 1.187 ( -1.543 -3.388 -3.165) 4.886 1.326 ( -9.992 -4.069 0.165) 10.790 1.580 ( 7.254 -8.918 0.983) 11.537 1.937 ( -1.778 8.827 1.348) 9.104 2.190 ( -1.583 -5.200 -2.214) 5.869 2.287 ( 2.616 -8.191 -2.495) 8.953 2.517 ( 5.992 -3.330 0.572) 6.879 2.889 ( -3.309 0.105 -1.309) 3.560 2.998 ( -4.242 0.987 -2.243) 4.899 3.397 ( 1.327 -2.430 0.960) 2.931 3.487 ( 0.344 -5.981 2.035) 6.327 3.612 ( 8.389 0.340 2.350) 8.719 3.891 ( -2.671 0.638 1.419) 3.091 4.030 ( 0.934 4.362 3.804) 5.862 8.405 ( 5.267 -13.816 6.137) 16.008 8.948 ( 2.578 12.003 -0.695) 12.297 9.807 ( -3.622 1.702 1.682) 4.341 10.613 ( -2.618 -0.717 -4.399) 5.169 15.214 ( 2.175 7.061 0.515) 7.407 17.231 ( -0.866 11.148 2.116) 11.380 ======================= Grid point 493 (236/429) ======================= q-point: (-0.29 -0.57 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -3.337 -5.553 2.624) 6.990 1.234 ( -2.280 -3.080 -0.457) 3.859 1.336 ( -5.048 -5.165 -1.914) 7.472 1.777 ( 11.026 2.423 1.498) 11.388 1.831 ( -1.793 -4.794 3.822) 6.388 2.221 ( -9.211 -3.135 -1.638) 9.866 2.398 ( 4.488 -1.821 0.097) 4.844 2.640 ( 7.181 -5.070 -5.595) 10.420 2.815 ( -3.915 3.264 -1.359) 5.275 3.019 ( -4.354 -5.929 0.668) 7.387 3.445 ( 1.184 -1.992 0.593) 2.392 3.576 ( 1.278 -1.988 2.347) 3.331 3.688 ( 7.532 -0.705 3.122) 8.184 3.910 ( -1.471 -3.148 1.711) 3.873 3.985 ( 0.521 2.344 3.634) 4.355 8.543 ( -8.119 1.600 3.452) 8.967 8.855 ( 17.623 3.910 2.137) 18.178 9.794 ( -4.485 -2.614 1.700) 5.463 10.572 ( 0.098 2.802 -2.657) 3.863 15.123 ( 2.251 4.746 1.734) 5.532 17.022 ( -2.519 10.728 0.984) 11.064 ======================= Grid point 494 (237/429) ======================= q-point: (-0.21 -0.57 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -5.893 -2.040 0.882) 6.298 1.277 ( -1.866 -3.782 -0.384) 4.234 1.448 ( 0.390 -7.775 -1.553) 7.938 1.753 ( 6.365 2.267 1.815) 6.996 1.983 ( 3.027 -4.870 3.719) 6.835 2.195 ( -9.261 -0.912 -1.291) 9.395 2.428 ( 1.792 0.076 -0.008) 1.794 2.669 ( 4.561 3.015 -4.149) 6.864 2.788 ( 0.277 -2.116 -3.268) 3.903 3.134 ( -4.295 -8.127 1.213) 9.272 3.481 ( 2.039 -0.387 -0.145) 2.080 3.617 ( 0.614 -1.624 2.296) 2.879 3.723 ( 5.725 2.385 1.198) 6.317 3.945 ( -0.635 0.489 1.297) 1.525 4.011 ( -0.196 -3.364 4.021) 5.246 8.412 ( -8.282 5.538 1.528) 10.079 8.905 ( 15.561 4.468 2.420) 16.370 9.860 ( -4.244 -6.284 0.368) 7.592 10.495 ( 2.140 5.581 0.192) 5.981 15.078 ( 2.360 2.552 1.501) 3.786 16.827 ( -2.942 8.657 0.144) 9.144 ======================= Grid point 495 (238/429) ======================= q-point: (-0.14 -0.57 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -5.488 -0.674 -0.318) 5.539 1.340 ( 1.268 -3.205 -1.283) 3.677 1.556 ( -1.317 -2.901 1.047) 3.354 1.795 ( 7.398 -2.164 -1.727) 7.899 2.061 ( 0.602 -1.092 3.697) 3.902 2.138 ( -5.838 1.239 -1.055) 6.061 2.434 ( -2.571 -1.374 -1.705) 3.377 2.615 ( 4.375 4.501 0.063) 6.278 2.822 ( 1.911 -2.870 -5.219) 6.255 3.248 ( -2.559 -5.445 1.181) 6.131 3.479 ( 2.453 1.545 -1.139) 3.114 3.669 ( 0.513 -1.444 -1.171) 1.929 3.684 ( 4.066 3.738 2.024) 5.882 3.920 ( -0.792 2.648 2.186) 3.524 4.075 ( -1.429 -2.011 2.148) 3.271 8.286 ( -6.281 3.710 1.056) 7.371 8.903 ( 11.511 4.680 1.092) 12.474 9.947 ( -7.147 -6.439 -2.934) 10.058 10.409 ( 4.731 5.980 3.428) 8.360 15.064 ( 1.979 0.993 0.668) 2.313 16.676 ( -2.035 5.876 -0.552) 6.243 ======================= Grid point 496 (239/429) ======================= q-point: (-0.07 -0.57 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -3.215 -0.455 -0.979) 3.392 1.381 ( 2.523 0.225 -1.504) 2.946 1.544 ( -1.456 2.756 1.510) 3.463 1.868 ( 5.784 -1.171 -2.803) 6.533 2.042 ( -5.976 1.737 -1.275) 6.353 2.113 ( 2.019 0.735 1.947) 2.899 2.417 ( -0.777 1.790 -1.120) 2.249 2.572 ( 0.735 1.197 0.187) 1.417 2.880 ( 1.597 -4.251 -4.315) 6.264 3.296 ( -0.640 0.215 1.314) 1.477 3.460 ( 2.850 1.222 -2.774) 4.160 3.585 ( 3.569 6.342 -1.062) 7.355 3.736 ( 0.042 -2.928 0.774) 3.029 3.851 ( -1.807 4.914 2.315) 5.724 4.075 ( -1.797 1.490 0.487) 2.385 8.214 ( -4.627 0.867 0.762) 4.769 8.902 ( 8.914 1.963 0.183) 9.130 9.938 ( -10.413 0.538 -6.112) 12.087 10.409 ( 5.312 -1.767 5.615) 7.929 15.066 ( 0.499 -0.182 0.139) 0.549 16.587 ( 0.249 2.805 -1.111) 3.027 ======================= Grid point 504 (240/429) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( -3.983 0.000 8.596) 9.474 0.752 ( -2.324 0.000 0.720) 2.433 1.158 ( -6.958 0.000 -4.743) 8.421 1.405 ( 0.858 -0.000 -2.107) 2.275 1.804 ( -0.306 0.000 -0.099) 0.322 1.927 ( 2.639 -0.000 -3.723) 4.564 2.405 ( 7.496 -0.000 0.161) 7.498 2.460 ( 5.304 -0.000 1.782) 5.595 2.913 ( -5.680 0.000 -1.157) 5.797 2.973 ( -4.671 0.000 -1.030) 4.783 3.143 ( 3.628 -0.000 -1.705) 4.009 3.311 ( -2.410 0.000 7.534) 7.910 3.767 ( 3.072 -0.000 -14.843) 15.158 4.022 ( -1.331 0.000 0.378) 1.384 4.318 ( -0.840 0.000 5.397) 5.462 7.557 ( 0.546 -0.000 0.748) 0.926 9.483 ( -0.442 0.000 -0.929) 1.029 9.941 ( -2.495 0.000 0.735) 2.601 10.490 ( -8.451 0.000 -4.406) 9.531 15.519 ( 3.030 -0.000 -5.394) 6.187 17.596 ( 2.891 -0.000 4.949) 5.732 ======================= Grid point 505 (241/429) ======================= q-point: (-0.43 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( -3.778 -1.356 7.623) 8.615 0.894 ( -3.883 -13.257 1.813) 13.932 1.106 ( -3.584 -0.678 -3.423) 5.002 1.447 ( 0.810 -3.223 -2.295) 4.039 1.821 ( -2.492 -3.975 -1.182) 4.839 1.965 ( -4.429 -5.609 -2.736) 7.653 2.391 ( 6.933 6.659 -3.038) 10.081 2.498 ( 8.103 0.292 3.888) 8.992 2.869 ( -6.207 0.152 -0.343) 6.218 2.982 ( -4.078 -3.378 -1.144) 5.417 3.202 ( 3.696 -4.635 -1.031) 6.018 3.344 ( -1.988 -1.756 6.045) 6.601 3.701 ( 4.485 2.668 -12.777) 13.802 3.986 ( -3.330 2.521 0.326) 4.189 4.262 ( 0.795 7.031 5.731) 9.106 7.735 ( 4.643 -16.241 1.828) 16.990 9.381 ( -1.881 9.048 -1.081) 9.305 9.890 ( -9.169 1.399 0.813) 9.311 10.496 ( 0.428 -3.997 -4.201) 5.814 15.470 ( 3.380 4.937 -4.248) 7.338 17.573 ( 1.076 5.853 4.275) 7.327 ======================= Grid point 506 (242/429) ======================= q-point: (-0.36 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -2.684 -6.803 5.866) 9.376 1.078 ( -7.541 -7.232 -0.769) 10.476 1.158 ( -0.740 -7.372 0.451) 7.423 1.494 ( 2.134 -3.495 -1.233) 4.277 1.903 ( -7.801 -6.835 -1.928) 10.549 2.069 ( -2.518 -10.000 -1.861) 10.478 2.254 ( 1.140 8.548 -2.364) 8.942 2.566 ( 11.714 0.296 1.699) 11.840 2.844 ( -4.913 -1.149 0.288) 5.054 2.986 ( -4.047 0.377 -2.091) 4.571 3.339 ( 3.417 -6.781 0.427) 7.605 3.386 ( -2.601 -2.987 1.787) 4.345 3.671 ( 8.148 0.117 -3.877) 9.024 3.910 ( -3.832 2.778 0.835) 4.806 4.158 ( 1.494 6.839 4.766) 8.468 8.148 ( 8.660 -20.329 3.576) 22.384 9.172 ( 0.657 11.176 -0.944) 11.235 9.802 ( -11.010 1.637 0.871) 11.165 10.564 ( 3.725 -2.893 -3.216) 5.708 15.361 ( 3.086 7.117 -2.124) 8.043 17.433 ( -1.736 10.372 2.939) 10.919 ======================= Grid point 507 (243/429) ======================= q-point: (-0.29 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( -2.831 -7.336 2.969) 8.405 1.143 ( -5.337 -4.403 0.111) 6.920 1.229 ( -3.733 -3.294 0.022) 4.979 1.658 ( 4.203 -10.854 1.078) 11.689 1.918 ( -2.347 1.171 -0.256) 2.636 2.121 ( -7.383 1.830 -2.005) 7.866 2.270 ( -0.260 -11.712 -1.720) 11.841 2.639 ( 12.385 -0.265 -1.234) 12.449 2.833 ( -4.635 0.851 -0.528) 4.742 2.929 ( -5.084 -0.241 -0.321) 5.100 3.406 ( -0.778 -2.401 0.567) 2.587 3.505 ( 1.020 -6.483 0.157) 6.564 3.748 ( 11.011 -1.367 1.913) 11.259 3.869 ( -2.750 -0.341 1.155) 3.002 4.072 ( 0.954 5.057 3.767) 6.378 8.484 ( 1.223 -7.659 3.184) 8.384 9.041 ( 13.091 5.325 0.095) 14.133 9.722 ( -11.079 -0.656 0.581) 11.114 10.606 ( 4.884 0.291 -1.202) 5.038 15.247 ( 2.884 6.381 -0.127) 7.004 17.214 ( -4.508 11.835 1.569) 12.761 ======================= Grid point 508 (244/429) ======================= q-point: (-0.21 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -4.523 -3.926 0.625) 6.022 1.170 ( -7.270 -4.299 0.204) 8.449 1.325 ( 3.714 -6.377 -0.047) 7.379 1.831 ( -1.708 -0.196 3.183) 3.618 1.913 ( 8.674 -4.659 0.248) 9.849 2.078 ( -11.481 -3.507 -2.356) 12.234 2.416 ( -0.369 -3.718 -0.550) 3.776 2.708 ( 9.531 -0.523 -5.608) 11.071 2.759 ( -4.374 1.474 0.224) 4.622 2.975 ( -4.044 -6.465 2.506) 8.027 3.453 ( -0.116 -2.680 -0.127) 2.685 3.590 ( 0.257 -2.696 -0.754) 2.811 3.825 ( 10.381 1.814 3.163) 11.003 3.898 ( -2.263 -3.389 0.681) 4.131 4.026 ( 1.270 1.935 3.593) 4.273 8.471 ( -6.065 4.574 1.260) 7.700 9.085 ( 15.592 3.684 1.225) 16.068 9.725 ( -5.449 -5.283 -0.899) 7.643 10.603 ( 5.282 3.407 1.749) 6.524 15.167 ( 3.285 4.495 0.925) 5.644 16.977 ( -5.953 10.478 0.446) 12.059 ======================= Grid point 509 (245/429) ======================= q-point: (-0.14 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -4.216 -1.581 -0.500) 4.531 1.239 ( -2.803 -6.279 -1.157) 6.973 1.469 ( 2.869 -6.120 0.494) 6.777 1.816 ( 2.462 0.670 0.838) 2.685 2.027 ( -4.201 -2.562 1.044) 5.031 2.093 ( -0.769 -3.855 -1.243) 4.122 2.411 ( -3.656 1.221 -0.032) 3.855 2.699 ( 2.100 2.055 -0.097) 2.939 2.766 ( 1.791 -1.792 -5.669) 6.209 3.115 ( -0.781 -8.257 2.984) 8.814 3.489 ( 0.600 -1.076 -1.692) 2.092 3.625 ( 0.177 -2.107 -0.963) 2.323 3.827 ( 8.483 5.168 2.387) 10.216 3.936 ( -2.215 -1.509 0.502) 2.726 4.041 ( 0.389 -0.886 3.110) 3.257 8.342 ( -4.714 5.397 0.693) 7.199 9.061 ( 6.479 5.699 0.930) 8.679 9.806 ( -0.159 -5.087 -3.815) 6.361 10.563 ( 5.127 5.617 4.589) 8.883 15.125 ( 3.788 3.050 0.993) 4.964 16.774 ( -5.681 7.559 -0.460) 9.467 ======================= Grid point 510 (246/429) ======================= q-point: (-0.07 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -1.183 -0.917 -1.055) 1.831 1.335 ( 0.039 -5.133 -1.659) 5.394 1.551 ( -1.550 -1.364 1.665) 2.652 1.852 ( 4.319 -2.207 -2.859) 5.630 2.014 ( -6.147 -0.510 -0.423) 6.182 2.142 ( 2.520 -0.148 0.957) 2.699 2.377 ( -4.680 -1.139 -0.362) 4.830 2.657 ( 1.622 4.312 1.074) 4.731 2.792 ( 0.366 -3.241 -5.696) 6.564 3.261 ( 2.210 -5.230 2.630) 6.257 3.484 ( 1.262 0.834 -2.861) 3.236 3.664 ( 0.774 -1.694 -1.904) 2.664 3.771 ( 6.685 6.181 2.593) 9.467 3.923 ( -1.411 2.377 1.497) 3.143 4.063 ( -2.481 -0.873 1.162) 2.876 8.238 ( -2.740 3.623 0.622) 4.585 8.993 ( 1.478 3.949 0.320) 4.228 9.853 ( -0.529 -2.033 -6.156) 6.504 10.507 ( 4.327 5.239 6.055) 9.101 15.102 ( 3.364 2.311 0.670) 4.136 16.634 ( -3.803 4.074 -1.155) 5.691 ======================= Grid point 519 (247/429) ======================= q-point: (-0.43 -0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( -5.848 0.000 8.751) 10.525 0.718 ( -4.398 0.000 0.762) 4.463 1.073 ( -0.784 0.000 -1.739) 1.907 1.404 ( 1.664 -0.000 -2.101) 2.680 1.792 ( -1.477 0.000 -0.033) 1.477 1.840 ( -11.132 0.000 -3.187) 11.579 2.479 ( 3.639 -0.000 -3.927) 5.353 2.575 ( 11.977 -0.000 2.608) 12.258 2.836 ( -6.164 0.000 1.292) 6.298 2.907 ( -4.922 0.000 -0.683) 4.969 3.177 ( 4.169 -0.000 -1.611) 4.469 3.339 ( -2.295 0.000 5.223) 5.705 3.692 ( 4.631 -0.000 -14.502) 15.224 3.989 ( -4.440 0.000 0.337) 4.453 4.364 ( 1.008 -0.000 5.467) 5.559 7.600 ( 5.573 -0.000 0.567) 5.602 9.453 ( -3.429 0.000 -0.793) 3.520 9.822 ( -15.494 0.000 0.994) 15.526 10.468 ( 7.581 -0.000 -3.208) 8.232 15.521 ( 4.008 -0.000 -5.042) 6.441 17.653 ( 0.691 -0.000 3.983) 4.043 ======================= Grid point 520 (248/429) ======================= q-point: (-0.36 -0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -5.653 -1.987 6.400) 8.767 0.829 ( -8.056 -11.496 1.112) 14.082 1.101 ( 4.314 -1.986 1.406) 4.953 1.442 ( 1.051 -2.743 -2.168) 3.651 1.737 ( -10.260 -2.747 -1.928) 10.795 1.878 ( -5.256 -7.284 -1.188) 9.061 2.392 ( -2.426 7.260 -3.925) 8.602 2.654 ( 13.199 0.526 0.019) 13.210 2.810 ( -4.384 -0.000 2.712) 5.155 2.927 ( -3.595 -3.661 -0.325) 5.141 3.241 ( 3.717 -4.791 -0.792) 6.115 3.346 ( -2.635 -0.873 0.580) 2.836 3.678 ( 6.811 -1.087 -8.801) 11.182 3.937 ( -5.335 2.310 0.864) 5.877 4.320 ( 1.443 6.817 5.089) 8.628 7.835 ( 9.942 -18.744 1.037) 21.243 9.341 ( -3.322 7.878 -0.647) 8.574 9.738 ( -15.119 -0.218 1.137) 15.164 10.540 ( 8.993 -2.580 -1.308) 9.446 15.480 ( 3.790 4.614 -4.343) 7.383 17.601 ( -1.372 7.081 2.748) 7.718 ======================= Grid point 521 (249/429) ======================= q-point: (-0.29 -0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( -4.563 -6.945 3.667) 9.083 0.985 ( -8.515 -9.015 1.319) 12.471 1.178 ( 2.822 -2.129 2.425) 4.286 1.504 ( 0.564 -6.695 -1.279) 6.840 1.789 ( -8.108 -7.875 -1.384) 11.387 2.013 ( -4.304 -10.452 -2.338) 11.542 2.209 ( -4.732 6.873 -1.540) 8.485 2.709 ( 10.383 0.562 -3.131) 10.859 2.804 ( -3.410 -0.414 2.128) 4.041 2.931 ( -2.610 1.535 0.873) 3.151 3.351 ( -2.910 -2.840 -1.539) 4.348 3.380 ( 2.883 -6.961 -0.044) 7.535 3.760 ( 10.453 -3.933 -2.884) 11.535 3.871 ( -3.973 1.644 2.066) 4.770 4.210 ( 1.162 7.379 4.010) 8.478 8.290 ( 11.341 -18.405 1.153) 21.649 9.197 ( 4.852 5.661 -0.896) 7.509 9.646 ( -14.591 0.640 0.686) 14.622 10.636 ( 8.769 -1.483 1.547) 9.027 15.380 ( 3.154 6.431 -2.712) 7.659 17.409 ( -5.432 11.769 1.378) 13.035 ======================= Grid point 522 (250/429) ======================= q-point: (-0.21 -0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -3.968 -6.557 0.760) 7.702 1.043 ( -10.147 -4.128 0.963) 10.997 1.261 ( 5.374 -4.040 2.576) 7.200 1.694 ( 0.156 -11.619 0.667) 11.640 1.873 ( -4.722 -5.838 -0.336) 7.516 1.998 ( -7.166 3.244 -4.245) 8.938 2.267 ( -0.163 -10.432 0.995) 10.480 2.732 ( 4.127 0.020 -6.027) 7.305 2.769 ( -5.537 1.936 0.822) 5.923 2.910 ( 1.975 -0.170 4.202) 4.647 3.391 ( -1.529 -3.379 -0.533) 3.747 3.510 ( 0.619 -5.460 -1.459) 5.686 3.838 ( -1.812 -1.700 -0.594) 2.555 3.907 ( 11.619 -1.836 1.557) 11.866 4.111 ( 0.744 5.286 3.315) 6.284 8.501 ( -0.019 -0.390 0.516) 0.647 9.223 ( 14.293 1.073 -1.270) 14.389 9.591 ( -7.429 -4.427 -1.078) 8.715 10.701 ( 8.288 1.502 4.590) 9.593 15.280 ( 3.372 5.413 -0.950) 6.447 17.143 ( -8.788 12.135 0.376) 14.988 ======================= Grid point 523 (251/429) ======================= q-point: (-0.14 -0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -3.362 -3.481 -0.836) 4.911 1.090 ( -5.515 -6.519 -0.167) 8.540 1.393 ( 5.393 -5.070 2.073) 7.686 1.831 ( -2.155 -0.983 2.487) 3.434 1.907 ( -12.240 -5.091 -2.123) 13.426 2.001 ( 6.250 -6.042 -2.406) 9.020 2.395 ( -3.005 -2.361 0.373) 3.839 2.702 ( -4.514 -0.674 1.034) 4.680 2.741 ( 0.981 -0.163 -4.992) 5.090 2.999 ( 4.242 -5.431 3.742) 7.842 3.442 ( -0.536 -3.010 -1.445) 3.382 3.574 ( -0.379 -2.853 -2.568) 3.857 3.866 ( -3.421 -2.990 0.053) 4.544 3.977 ( 11.529 3.175 0.962) 11.997 4.066 ( 1.136 1.234 2.311) 2.856 8.424 ( -2.480 5.506 0.117) 6.040 9.184 ( -1.623 5.644 0.045) 5.873 9.717 ( 9.943 -6.338 -5.358) 12.952 10.715 ( 7.009 4.551 6.794) 10.770 15.218 ( 4.543 3.875 0.134) 5.972 16.884 ( -9.601 9.576 -0.385) 13.566 ======================= Grid point 524 (252/429) ======================= q-point: (-0.07 -0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 0.437 -2.349 -1.454) 2.797 1.201 ( -1.850 -7.635 -1.165) 7.942 1.506 ( 1.106 -3.533 1.697) 4.073 1.821 ( -1.945 -1.181 -1.433) 2.689 1.938 ( -5.484 -3.777 -0.571) 6.683 2.125 ( 3.490 -3.749 -1.587) 5.363 2.356 ( -6.069 1.702 1.691) 6.526 2.712 ( -1.112 -0.106 2.508) 2.746 2.730 ( -0.165 -0.899 -5.815) 5.886 3.169 ( 5.181 -7.637 2.939) 9.685 3.472 ( 0.082 -1.230 -3.257) 3.482 3.612 ( 0.098 -2.827 -2.442) 3.737 3.892 ( -3.377 -1.794 -0.595) 3.870 3.956 ( 8.375 5.292 1.171) 9.975 4.065 ( 0.329 1.063 1.292) 1.705 8.312 ( -0.879 5.247 0.131) 5.322 9.055 ( -7.535 4.631 0.219) 8.848 9.828 ( 11.085 -1.451 -7.522) 13.475 10.673 ( 4.658 6.703 7.280) 10.938 15.185 ( 5.216 3.342 0.360) 6.205 16.684 ( -8.060 5.818 -1.020) 9.992 ======================= Grid point 534 (253/429) ======================= q-point: (-0.36 -0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -11.121 0.000 5.679) 12.487 0.659 ( -6.688 0.000 1.278) 6.809 1.135 ( 8.417 -0.000 4.262) 9.435 1.411 ( 2.289 -0.000 -2.030) 3.059 1.634 ( -18.140 0.000 -3.153) 18.412 1.769 ( -2.398 0.000 0.163) 2.404 2.430 ( -4.621 0.000 -6.060) 7.621 2.738 ( 11.821 -0.000 -1.077) 11.870 2.810 ( -1.743 0.000 5.280) 5.560 2.848 ( -4.301 0.000 0.180) 4.305 3.216 ( 4.321 -0.000 -1.427) 4.551 3.315 ( -3.038 0.000 -4.264) 5.236 3.667 ( 6.493 -0.000 -7.214) 9.706 3.927 ( -6.644 0.000 1.579) 6.829 4.423 ( 1.533 -0.000 5.244) 5.464 7.696 ( 9.814 -0.000 0.112) 9.815 9.389 ( -6.222 0.000 -0.404) 6.235 9.644 ( -15.071 0.000 2.407) 15.262 10.576 ( 11.087 -0.000 1.377) 11.172 15.529 ( 4.151 -0.000 -5.232) 6.679 17.673 ( -1.093 0.000 1.154) 1.589 ======================= Grid point 535 (254/429) ======================= q-point: (-0.29 -0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -8.723 -3.943 4.775) 10.698 0.743 ( -7.944 -11.019 1.933) 13.721 1.210 ( 8.095 0.290 5.052) 9.546 1.415 ( -4.810 -0.815 -2.731) 5.591 1.579 ( -9.542 -7.681 -1.690) 12.365 1.822 ( -3.741 -6.586 -0.313) 7.581 2.285 ( -8.294 6.940 -5.161) 11.983 2.758 ( 4.376 1.584 -2.837) 5.450 2.800 ( -3.004 0.684 2.602) 4.033 2.926 ( 4.125 -3.996 2.924) 6.444 3.259 ( -0.511 -2.649 -4.726) 5.442 3.303 ( 0.954 -3.591 -3.079) 4.825 3.726 ( 8.938 -3.777 -4.115) 10.540 3.881 ( -6.043 1.233 3.490) 7.086 4.376 ( 1.243 7.274 4.650) 8.722 7.988 ( 15.003 -21.063 -0.584) 25.867 9.294 ( -3.861 4.543 -0.353) 5.972 9.573 ( -14.000 0.101 2.040) 14.149 10.678 ( 11.523 -1.726 5.668) 12.957 15.489 ( 3.639 4.462 -4.733) 7.454 17.576 ( -4.632 8.826 -0.780) 9.998 ======================= Grid point 536 (255/429) ======================= q-point: (-0.21 -0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -5.496 -7.592 2.650) 9.740 0.887 ( -9.988 -7.404 1.962) 12.587 1.259 ( 4.820 -1.463 4.200) 6.559 1.468 ( -4.555 -9.648 -1.669) 10.799 1.713 ( -2.591 -8.627 -0.089) 9.009 1.922 ( -6.641 -5.569 -3.764) 9.449 2.142 ( -5.000 -0.877 0.392) 5.092 2.721 ( -1.765 1.425 -6.119) 6.526 2.768 ( -5.231 1.185 2.726) 6.017 2.988 ( 7.334 1.877 3.393) 8.296 3.299 ( -2.046 -4.890 -3.308) 6.248 3.406 ( 2.049 -5.642 -1.145) 6.111 3.802 ( -0.401 -1.014 -3.037) 3.226 3.913 ( 8.098 -4.135 2.399) 9.404 4.252 ( 1.114 7.788 3.410) 8.574 8.430 ( 11.823 -11.911 -1.600) 16.859 9.272 ( 9.195 -2.459 -3.161) 10.030 9.485 ( -11.859 -0.207 0.904) 11.895 10.800 ( 11.552 0.003 9.621) 15.034 15.394 ( 3.276 5.612 -3.062) 7.184 17.314 ( -10.900 12.871 -1.429) 16.927 ======================= Grid point 537 (256/429) ======================= q-point: (-0.14 -0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -3.278 -6.144 0.149) 6.965 0.937 ( -8.545 -5.821 1.191) 10.408 1.368 ( 7.270 -3.286 4.079) 8.961 1.644 ( -8.296 -12.453 -1.940) 15.088 1.810 ( -5.832 -2.248 2.097) 6.592 1.918 ( 0.620 -4.218 -5.230) 6.748 2.272 ( -1.488 -9.354 2.095) 9.700 2.648 ( -7.895 0.087 -3.170) 8.508 2.727 ( -3.833 0.891 0.484) 3.965 3.016 ( 8.348 0.700 2.675) 8.794 3.366 ( -0.991 -4.126 -1.518) 4.506 3.496 ( 0.075 -4.119 -2.940) 5.062 3.804 ( -2.855 -1.600 -0.397) 3.296 4.042 ( 9.311 -2.637 -1.965) 9.875 4.151 ( 3.161 5.608 2.385) 6.865 8.507 ( 1.625 3.571 -0.652) 3.977 9.250 ( -8.122 5.043 -0.810) 9.594 9.626 ( 17.853 -10.637 -7.263) 22.015 10.876 ( 10.082 3.751 11.029) 15.407 15.318 ( 4.633 4.179 -1.176) 6.350 17.003 ( -13.900 11.316 -1.205) 17.964 ======================= Grid point 538 (257/429) ======================= q-point: (-0.07 -0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 0.537 -4.614 -1.425) 4.859 1.038 ( -3.252 -8.100 0.274) 8.733 1.470 ( 3.278 -2.373 2.753) 4.895 1.739 ( -10.152 -4.889 -3.152) 11.701 1.827 ( -2.034 -4.138 1.283) 4.786 2.042 ( 3.949 -6.558 -2.720) 8.124 2.347 ( -5.885 -0.227 0.788) 5.942 2.658 ( -4.762 -5.221 1.843) 7.303 2.694 ( -2.669 0.096 -1.840) 3.243 3.103 ( 7.943 -4.103 1.886) 9.137 3.420 ( -0.163 -2.892 -2.698) 3.959 3.544 ( -0.393 -3.145 -3.666) 4.846 3.817 ( -4.221 -2.228 -0.587) 4.809 4.084 ( -0.086 0.775 0.366) 0.861 4.107 ( 10.600 4.000 -2.311) 11.563 8.416 ( 1.227 5.885 -0.341) 6.021 9.084 ( -12.353 5.290 0.003) 13.439 9.844 ( 18.932 -3.834 -10.169) 21.829 10.867 ( 6.542 7.140 9.940) 13.878 15.282 ( 6.293 3.354 -0.286) 7.137 16.742 ( -12.738 7.599 -1.128) 14.876 ======================= Grid point 549 (258/429) ======================= q-point: (-0.29 -0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( -10.436 0.000 6.448) 12.267 0.580 ( -8.701 0.000 2.706) 9.112 1.304 ( 11.170 -0.000 5.938) 12.650 1.362 ( -22.324 0.000 -3.144) 22.545 1.426 ( 2.739 -0.000 -1.855) 3.308 1.739 ( -2.873 0.000 0.460) 2.910 2.288 ( -8.997 0.000 -8.332) 12.263 2.792 ( -2.091 0.000 4.021) 4.532 2.808 ( -3.223 0.000 1.247) 3.455 2.887 ( 8.727 -0.000 -3.797) 9.517 3.205 ( -3.759 0.000 -10.331) 10.994 3.256 ( 3.964 -0.000 -1.359) 4.190 3.726 ( 8.301 -0.000 -2.966) 8.815 3.872 ( -6.503 0.000 6.613) 9.275 4.485 ( 1.813 -0.000 5.463) 5.756 7.834 ( 13.110 -0.000 -0.355) 13.115 9.297 ( -8.800 0.000 0.112) 8.801 9.505 ( -11.923 0.000 3.143) 12.330 10.773 ( 14.153 -0.000 12.077) 18.606 15.535 ( 4.034 -0.000 -5.566) 6.874 17.631 ( -4.409 0.000 -4.909) 6.598 ======================= Grid point 550 (259/429) ======================= q-point: (-0.21 -0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( -7.959 -5.059 6.366) 11.378 0.667 ( -8.357 -10.723 3.497) 14.037 1.210 ( -17.483 -1.725 -2.029) 17.685 1.384 ( 8.299 -0.072 4.370) 9.379 1.538 ( 2.054 -8.935 -0.879) 9.210 1.773 ( -4.117 -4.791 -0.248) 6.322 2.127 ( -10.275 4.408 -5.382) 12.409 2.721 ( -4.502 3.518 -5.104) 7.661 2.778 ( -4.855 1.353 4.393) 6.686 3.037 ( 9.294 -5.623 0.365) 10.869 3.169 ( -2.631 -3.476 -7.712) 8.858 3.320 ( 2.844 -4.470 -1.723) 5.571 3.768 ( 2.003 -1.145 -4.747) 5.278 3.900 ( 3.192 -2.543 7.450) 8.495 4.429 ( 1.559 8.249 4.911) 9.726 8.183 ( 19.668 -22.562 -3.267) 30.109 9.241 ( -4.165 -1.042 -1.157) 4.447 9.438 ( -11.235 1.275 2.266) 11.532 10.936 ( 16.758 -0.039 18.282) 24.801 15.494 ( 3.646 4.259 -4.717) 7.327 17.455 ( -11.416 10.722 -6.889) 17.110 ======================= Grid point 551 (260/429) ======================= q-point: (-0.14 -0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( -4.092 -7.786 3.879) 9.613 0.776 ( -11.027 -6.183 2.382) 12.864 1.279 ( -7.354 -13.358 0.211) 15.249 1.448 ( 4.113 -1.073 2.915) 5.155 1.718 ( 1.666 -7.448 1.122) 7.714 1.805 ( -6.223 -3.370 -4.719) 8.506 2.096 ( -4.177 -7.579 1.734) 8.826 2.603 ( -8.875 2.319 -4.989) 10.442 2.731 ( -5.172 1.721 2.676) 6.072 3.101 ( 6.974 1.877 1.432) 7.363 3.260 ( 0.548 -6.648 -3.319) 7.451 3.411 ( 1.260 -4.357 -2.605) 5.230 3.766 ( -2.047 -0.714 -1.218) 2.487 4.020 ( 7.053 -3.738 -0.892) 8.032 4.302 ( 3.511 7.611 2.673) 8.797 8.544 ( 10.124 -3.902 -2.941) 11.241 9.267 ( -7.820 2.262 -2.292) 8.457 9.467 ( 13.044 -13.232 -6.317) 19.625 11.080 ( 15.969 4.178 18.701) 24.943 15.418 ( 4.609 4.363 -2.236) 6.729 17.113 ( -18.657 12.151 -4.475) 22.710 ======================= Grid point 552 (261/429) ======================= q-point: (-0.07 -0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -1.111 -6.423 0.255) 6.523 0.864 ( -5.666 -8.492 2.362) 10.478 1.485 ( 1.041 -0.139 2.258) 2.491 1.500 ( -5.466 -12.468 -1.000) 13.650 1.763 ( -4.331 -2.121 0.749) 4.880 1.915 ( 3.654 -8.254 -3.153) 9.561 2.258 ( -3.665 -7.362 1.475) 8.355 2.524 ( -9.121 -3.148 -1.064) 9.707 2.683 ( -4.485 1.006 1.311) 4.780 3.123 ( 6.661 0.101 0.507) 6.681 3.349 ( 0.638 -3.904 -1.878) 4.379 3.469 ( 0.138 -3.130 -3.938) 5.033 3.764 ( -2.974 -0.992 -0.593) 3.191 4.078 ( 0.939 -0.832 -2.519) 2.815 4.232 ( 8.275 4.432 -2.105) 9.621 8.534 ( 3.683 5.273 -0.737) 6.474 9.110 ( -12.336 5.775 -0.289) 13.624 9.796 ( 21.908 -10.541 -13.651) 27.882 11.107 ( 10.187 8.644 14.557) 19.758 15.381 ( 7.176 3.198 -0.423) 7.868 16.793 ( -18.170 8.584 -2.145) 20.210 ======================= Grid point 564 (262/429) ======================= q-point: (-0.21 -0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( -6.858 0.000 10.297) 12.371 0.500 ( -9.560 0.000 5.354) 10.957 1.050 ( -24.996 0.000 -2.122) 25.086 1.447 ( 3.062 -0.000 -1.522) 3.420 1.484 ( 10.963 -0.000 4.246) 11.756 1.709 ( -2.956 0.000 0.740) 3.047 2.084 ( -12.614 0.000 -9.818) 15.985 2.777 ( -6.146 0.000 3.856) 7.256 2.790 ( -2.212 0.000 2.271) 3.170 2.848 ( -2.207 0.000 -17.270) 17.410 3.148 ( 3.009 -0.000 0.254) 3.020 3.288 ( 3.200 -0.000 -1.581) 3.569 3.752 ( 0.814 -0.000 -3.499) 3.592 3.932 ( 4.409 -0.000 9.220) 10.220 4.564 ( 3.920 -0.000 6.394) 7.500 8.003 ( 15.419 -0.000 -0.589) 15.431 9.180 ( -11.134 0.000 0.581) 11.149 9.400 ( -9.383 0.000 2.194) 9.636 11.159 ( 25.027 -0.000 28.460) 37.899 15.540 ( 4.158 -0.000 -5.309) 6.744 17.454 ( -13.737 0.000 -14.691) 20.114 ======================= Grid point 565 (263/429) ======================= q-point: (-0.14 -0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( -5.283 -5.082 9.488) 11.990 0.593 ( -10.179 -8.105 5.106) 13.977 0.970 ( -18.285 -9.466 -0.077) 20.590 1.510 ( 6.290 -0.634 2.203) 6.695 1.584 ( 6.051 -6.499 -0.058) 8.880 1.714 ( -5.247 -1.518 -0.487) 5.484 1.968 ( -9.567 -2.162 -3.124) 10.294 2.591 ( -9.412 5.259 -5.796) 12.240 2.739 ( -6.270 1.360 2.776) 6.991 3.062 ( 0.226 -13.695 -7.177) 15.464 3.173 ( 6.793 0.399 1.367) 6.941 3.333 ( 2.013 -3.448 -2.436) 4.677 3.744 ( -0.798 -0.175 -1.361) 1.588 4.010 ( 5.865 -1.604 2.961) 6.763 4.502 ( 4.091 9.893 5.300) 11.945 8.396 ( 21.631 -21.251 -6.672) 31.049 9.164 ( -6.038 -6.367 -3.489) 9.443 9.345 ( -6.176 -0.396 1.274) 6.319 11.401 ( 28.287 6.242 29.184) 41.120 15.510 ( 4.836 3.386 -3.016) 6.630 17.167 ( -23.816 10.194 -12.293) 28.675 ======================= Grid point 566 (264/429) ======================= q-point: (-0.07 -0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -3.655 -6.488 4.032) 8.469 0.678 ( -8.358 -8.432 4.718) 12.776 1.164 ( -9.778 -16.479 0.367) 19.165 1.549 ( 6.531 1.044 3.358) 7.417 1.697 ( -5.630 -1.767 -0.868) 5.964 1.769 ( 4.819 -8.900 -1.504) 10.232 2.062 ( -4.177 -10.703 1.945) 11.652 2.446 ( -10.677 1.794 -3.975) 11.533 2.684 ( -5.641 1.488 2.121) 6.207 3.157 ( 1.733 -0.613 -0.713) 1.972 3.272 ( 4.809 -4.967 -2.295) 7.284 3.397 ( 0.830 -3.493 -3.649) 5.119 3.738 ( -1.319 -0.228 -0.479) 1.422 4.058 ( 1.741 -0.705 -2.120) 2.833 4.373 ( 5.435 7.556 -0.033) 9.308 8.629 ( 7.457 1.184 -2.143) 7.849 9.136 ( -9.843 3.977 -1.941) 10.792 9.585 ( 18.337 -19.389 -14.715) 30.474 11.454 ( 17.228 13.413 20.403) 29.883 15.484 ( 8.151 2.948 0.287) 8.672 16.808 ( -24.379 7.927 -4.557) 26.037 ======================= Grid point 579 (265/429) ======================= q-point: (-0.14 -0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( -8.224 0.000 8.569) 11.877 0.472 ( -6.460 0.000 12.374) 13.959 0.756 ( -21.557 0.000 2.929) 21.755 1.476 ( 3.314 -0.000 -1.007) 3.463 1.618 ( 6.637 -0.000 0.809) 6.686 1.680 ( -2.866 0.000 0.874) 2.996 1.854 ( -13.088 0.000 -4.166) 13.735 2.608 ( -11.432 0.000 -13.057) 17.354 2.744 ( -5.399 0.000 1.712) 5.664 2.790 ( -1.514 0.000 3.180) 3.522 3.219 ( 5.574 -0.000 1.398) 5.747 3.306 ( 2.256 -0.000 -2.123) 3.098 3.737 ( 0.144 -0.000 -0.569) 0.586 4.046 ( 4.492 -0.000 2.964) 5.382 4.691 ( 8.965 -0.000 5.110) 10.319 8.192 ( 16.618 -0.000 -0.499) 16.625 9.039 ( -13.069 0.000 0.853) 13.097 9.313 ( -7.064 0.000 1.086) 7.147 11.831 ( 42.524 -0.000 30.173) 52.142 15.563 ( 5.845 -0.000 -2.196) 6.244 17.043 ( -30.849 0.000 -17.959) 35.696 ======================= Grid point 580 (266/429) ======================= q-point: (-0.07 -0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( -10.577 -4.454 5.533) 12.741 0.526 ( -4.979 -5.897 10.640) 13.144 0.816 ( -10.594 -14.173 6.149) 18.733 1.564 ( 2.938 -5.119 -2.294) 6.333 1.653 ( 1.283 0.313 2.536) 2.859 1.669 ( 0.994 -3.407 0.719) 3.621 1.865 ( -6.005 -7.402 0.440) 9.542 2.420 ( -10.117 4.256 -5.626) 12.333 2.683 ( -5.688 1.393 2.182) 6.249 3.018 ( -0.468 -13.623 -3.168) 13.994 3.255 ( 5.542 -0.377 -0.543) 5.581 3.331 ( 1.343 -2.340 -2.942) 3.992 3.736 ( 0.565 0.309 -0.108) 0.653 4.066 ( 1.678 0.657 0.008) 1.802 4.600 ( 5.161 12.948 3.177) 14.296 8.582 ( 18.379 -15.737 -7.300) 25.273 9.037 ( -8.867 -8.403 -5.231) 13.289 9.306 ( -0.651 -6.762 -1.836) 7.037 11.977 ( 27.330 18.550 18.330) 37.776 15.586 ( 9.587 1.815 1.902) 9.941 16.738 ( -29.506 4.377 -6.683) 30.568 ======================= Grid point 594 (267/429) ======================= q-point: (-0.07 -0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( -12.361 0.000 7.137) 14.274 0.444 ( -4.758 0.000 10.295) 11.342 0.675 ( -6.371 0.000 15.551) 16.805 1.511 ( 3.502 -0.000 -0.376) 3.522 1.643 ( 0.024 -0.000 0.985) 0.986 1.653 ( -2.758 0.000 0.806) 2.873 1.776 ( -1.738 0.000 2.924) 3.402 2.396 ( -8.186 0.000 -8.032) 11.468 2.701 ( -4.311 0.000 2.494) 4.980 2.803 ( -1.070 0.000 4.025) 4.165 3.280 ( 3.288 -0.000 -0.321) 3.304 3.308 ( 1.364 -0.000 -2.878) 3.185 3.749 ( 2.032 -0.000 -0.062) 2.033 4.083 ( 0.341 -0.000 0.451) 0.566 4.818 ( 6.680 -0.000 0.114) 6.681 8.388 ( 15.811 -0.000 -0.202) 15.813 8.883 ( -13.637 0.000 0.888) 13.666 9.251 ( -4.236 0.000 0.524) 4.268 12.395 ( 19.277 -0.000 -0.068) 19.277 15.681 ( 11.832 -0.000 4.437) 12.637 16.588 ( -22.103 0.000 -1.075) 22.129 ======================= Grid point 595 (268/429) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 0.773 -0.000 3.738) 3.817 0.625 ( -0.751 0.000 4.642) 4.703 1.035 ( 0.117 -0.000 10.425) 10.425 1.562 ( 2.532 -0.000 0.738) 2.637 1.619 ( -6.584 0.000 0.275) 6.590 1.633 ( -1.842 0.000 0.007) 1.842 1.887 ( 4.073 -0.000 4.521) 6.085 2.165 ( 0.796 -0.000 -8.067) 8.107 2.733 ( -0.926 0.000 2.030) 2.231 2.939 ( -0.807 0.000 6.518) 6.568 3.204 ( 0.803 -0.000 -5.619) 5.676 3.268 ( 0.343 -0.000 -1.099) 1.151 3.770 ( 2.453 -0.000 -0.621) 2.531 4.101 ( -0.222 0.000 0.810) 0.840 4.833 ( -0.931 0.000 -0.221) 0.956 8.525 ( 1.418 -0.000 0.004) 1.418 8.783 ( -1.191 0.000 0.587) 1.328 9.221 ( -1.275 0.000 0.116) 1.281 12.271 ( -8.394 0.000 -1.605) 8.546 15.903 ( 1.488 -0.000 3.734) 4.019 16.584 ( 6.279 -0.000 -0.307) 6.287 ======================= Grid point 596 (269/429) ======================= q-point: ( 0.07 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 3.299 -4.391 2.055) 5.864 0.761 ( 1.184 -10.782 3.820) 11.500 1.022 ( -0.802 3.216 5.815) 6.693 1.545 ( -3.660 0.877 1.456) 4.035 1.647 ( -3.215 -4.836 0.165) 5.810 1.775 ( 0.390 -13.534 1.449) 13.617 1.927 ( 6.127 0.443 4.770) 7.778 2.124 ( 1.767 1.341 -8.384) 8.673 2.716 ( 1.110 1.979 2.637) 3.479 3.035 ( -0.635 -6.457 3.656) 7.447 3.208 ( 0.668 -2.290 -5.082) 5.614 3.259 ( 1.107 0.811 -1.278) 1.875 3.771 ( 2.759 1.307 -1.073) 3.236 4.070 ( -0.944 3.231 0.376) 3.387 4.635 ( -4.102 17.063 0.432) 17.554 8.639 ( -15.977 -10.208 -1.139) 18.994 8.852 ( 15.115 -5.768 -0.831) 16.200 9.209 ( 0.367 0.244 -0.722) 0.846 12.112 ( -11.173 9.823 2.727) 15.125 15.873 ( -2.900 4.261 2.367) 5.672 16.588 ( 10.911 4.508 -1.904) 11.958 ======================= Grid point 597 (270/429) ======================= q-point: ( 0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 1.991 -6.519 0.292) 6.822 0.941 ( 1.046 -1.383 6.596) 6.820 1.048 ( 2.605 -8.195 -2.698) 9.012 1.531 ( -4.039 -1.315 2.923) 5.156 1.721 ( -3.320 -4.407 0.081) 5.518 1.954 ( 4.652 -2.287 2.843) 5.913 2.052 ( 6.910 -1.102 -3.624) 7.880 2.145 ( -0.615 -14.209 -0.776) 14.244 2.708 ( 3.180 1.332 2.115) 4.045 3.136 ( 0.244 -2.391 1.172) 2.674 3.247 ( 1.749 -1.332 -4.142) 4.689 3.255 ( 0.180 -2.642 -1.740) 3.169 3.745 ( 1.850 2.610 -1.143) 3.397 3.979 ( -2.300 5.320 -0.083) 5.797 4.281 ( -4.587 16.103 0.258) 16.745 8.635 ( -12.042 -0.502 0.330) 12.057 9.028 ( 11.264 0.351 -0.640) 11.288 9.276 ( -0.892 -10.369 -5.342) 11.699 11.836 ( -10.772 14.107 5.226) 18.503 15.733 ( -6.896 8.005 0.692) 10.589 16.557 ( 13.311 5.518 -1.643) 14.503 ======================= Grid point 598 (271/429) ======================= q-point: ( 0.21 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( -0.623 -5.709 -0.469) 5.762 0.975 ( -0.146 -1.933 1.867) 2.691 1.205 ( 6.790 -4.793 -1.105) 8.384 1.582 ( -3.050 -5.114 2.662) 6.523 1.752 ( -0.140 -0.707 0.112) 0.730 2.015 ( 1.535 -0.707 -1.291) 2.127 2.102 ( 7.521 -4.473 -1.791) 8.932 2.459 ( 0.313 -15.982 2.022) 16.112 2.717 ( 4.525 0.964 0.727) 4.683 3.138 ( 2.498 1.796 -1.023) 3.243 3.268 ( -1.045 -2.111 -1.619) 2.858 3.310 ( 0.227 -3.099 -2.380) 3.914 3.688 ( -1.453 2.776 -0.765) 3.225 3.879 ( -1.558 3.330 0.851) 3.774 4.042 ( -2.321 7.859 -0.043) 8.195 8.541 ( -9.492 3.474 0.427) 10.117 9.021 ( 12.091 5.810 -0.427) 13.421 9.440 ( -5.924 -10.236 -5.227) 12.931 11.521 ( -9.004 15.698 4.900) 18.749 15.523 ( -8.784 9.139 -0.041) 12.676 16.541 ( 13.612 4.542 -0.900) 14.378 ======================= Grid point 599 (272/429) ======================= q-point: ( 0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -3.130 -3.493 -1.508) 4.926 1.037 ( -0.188 -4.521 0.478) 4.550 1.321 ( 6.946 -4.150 0.919) 8.143 1.665 ( 0.518 -3.771 0.256) 3.815 1.798 ( 3.217 -3.607 0.483) 4.857 2.025 ( 0.043 -1.010 -1.373) 1.705 2.234 ( 4.583 -5.036 0.074) 6.810 2.660 ( -0.090 -1.441 -0.425) 1.506 2.780 ( 4.354 -7.925 0.619) 9.064 3.132 ( 1.234 -0.838 -1.645) 2.221 3.278 ( -2.329 -0.562 -0.185) 2.403 3.363 ( 0.973 -3.516 -1.496) 3.943 3.653 ( -2.061 -0.661 0.698) 2.274 3.860 ( 0.402 -0.877 1.532) 1.810 3.932 ( -0.993 3.733 0.337) 3.878 8.411 ( -7.827 4.693 0.360) 9.134 8.983 ( 13.383 6.109 -0.619) 14.724 9.540 ( -9.880 -8.216 -3.154) 13.232 11.195 ( -6.271 16.486 3.831) 18.050 15.315 ( -7.965 7.641 0.368) 11.043 16.542 ( 11.490 3.315 -0.585) 11.973 ======================= Grid point 600 (273/429) ======================= q-point: ( 0.36 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -3.251 -2.161 -1.752) 4.279 1.149 ( -0.008 -7.595 -0.289) 7.601 1.440 ( 4.400 -3.868 1.833) 6.139 1.754 ( 4.248 -4.357 -1.231) 6.209 1.889 ( 1.910 -3.721 -0.105) 4.184 2.049 ( -1.596 -2.522 0.184) 2.990 2.328 ( 2.936 -2.813 0.828) 4.149 2.621 ( -0.443 2.875 -2.037) 3.551 2.929 ( 2.916 -2.704 -1.359) 4.202 3.164 ( -2.003 -4.008 0.743) 4.541 3.297 ( 0.324 -3.006 -0.276) 3.036 3.438 ( 2.812 -3.587 -0.067) 4.558 3.694 ( -1.517 -4.000 2.408) 4.909 3.859 ( -0.015 2.615 0.792) 2.732 3.932 ( 0.016 -3.829 1.427) 4.086 8.291 ( -5.691 3.797 0.616) 6.869 8.957 ( 12.156 4.797 -0.330) 13.073 9.613 ( -11.343 -8.022 -2.582) 14.131 10.886 ( -2.702 15.165 3.626) 15.825 15.162 ( -5.332 4.701 1.090) 7.191 16.549 ( 7.870 2.152 -0.713) 8.190 ======================= Grid point 601 (274/429) ======================= q-point: ( 0.43 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -1.238 -0.863 -1.200) 1.928 1.289 ( 0.116 -6.827 -0.934) 6.892 1.523 ( 2.013 -2.296 1.457) 3.383 1.824 ( 1.910 -1.334 -2.727) 3.587 1.955 ( 0.302 -2.817 0.085) 2.835 2.093 ( -1.678 -2.719 0.193) 3.201 2.396 ( 3.368 -1.878 0.719) 3.922 2.563 ( -1.422 1.222 -0.539) 1.951 2.889 ( -0.260 4.788 -3.167) 5.747 3.269 ( 0.273 -5.529 2.061) 5.907 3.373 ( 2.028 -3.917 -1.226) 4.579 3.526 ( 3.725 -3.741 1.105) 5.394 3.772 ( -2.263 -2.862 2.093) 4.206 3.831 ( 1.474 0.066 2.096) 2.563 4.007 ( -1.322 -3.590 0.284) 3.836 8.216 ( -3.120 1.689 0.849) 3.648 8.950 ( 7.125 2.320 -0.009) 7.493 9.672 ( -8.816 -6.188 -3.550) 11.341 10.662 ( 0.560 9.382 4.070) 10.242 15.089 ( -2.040 1.428 1.211) 2.769 16.551 ( 3.724 1.026 -0.959) 3.980 ======================= Grid point 602 (275/429) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 1.435 0.254 -0.887) 1.706 1.358 ( 0.094 -0.321 -1.060) 1.111 1.560 ( -1.433 -0.982 0.949) 1.979 1.819 ( 0.128 0.599 -2.485) 2.560 1.988 ( 0.223 -0.418 -0.065) 0.478 2.120 ( -1.369 -1.323 -1.005) 2.153 2.404 ( 0.999 2.087 -0.150) 2.318 2.599 ( -0.741 -4.556 1.569) 4.875 2.782 ( -0.050 4.505 -2.393) 5.102 3.349 ( 1.094 -1.915 0.972) 2.410 3.421 ( 2.332 -0.017 -1.963) 3.048 3.615 ( 2.268 -2.447 -0.924) 3.462 3.786 ( 1.814 -0.929 1.258) 2.395 3.890 ( -0.648 -2.813 1.694) 3.347 4.038 ( -2.417 -1.241 -0.490) 2.761 8.199 ( -0.620 -0.721 0.603) 1.126 8.951 ( -1.429 -0.318 0.090) 1.467 9.702 ( -0.517 -2.126 -4.516) 5.018 10.597 ( 1.395 0.118 3.768) 4.019 15.089 ( 0.996 -1.296 0.341) 1.670 16.549 ( -0.405 -0.234 -1.014) 1.117 ======================= Grid point 603 (276/429) ======================= q-point: (-0.43 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 4.051 1.617 -0.997) 4.474 1.295 ( -0.034 5.877 -1.022) 5.965 1.550 ( -4.778 0.162 0.363) 4.794 1.792 ( 0.105 1.908 -1.596) 2.490 1.968 ( -0.285 2.418 -0.480) 2.482 2.116 ( -1.026 0.370 -1.730) 2.045 2.374 ( -2.707 0.711 1.721) 3.286 2.637 ( 0.874 0.807 -3.361) 3.565 2.761 ( 0.220 -2.221 3.229) 3.926 3.356 ( 3.089 3.500 0.630) 4.711 3.390 ( 0.297 1.792 -4.106) 4.490 3.606 ( 0.223 2.657 -2.635) 3.748 3.860 ( 4.245 -2.425 -1.655) 5.162 3.897 ( -2.680 -0.415 -1.155) 2.947 4.042 ( -1.483 -0.951 -0.595) 1.859 8.237 ( 1.672 -2.816 -0.006) 3.275 8.942 ( -9.740 -2.306 0.289) 10.013 9.722 ( 9.026 0.330 -5.787) 10.727 10.689 ( 1.176 -7.286 3.202) 8.045 15.143 ( 3.436 -3.063 -1.017) 4.714 16.548 ( -4.448 -1.696 -0.876) 4.840 ======================= Grid point 604 (277/429) ======================= q-point: (-0.36 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 5.771 3.555 -0.957) 6.845 1.165 ( -0.232 7.174 -0.545) 7.199 1.508 ( -6.501 0.554 -0.712) 6.563 1.727 ( -0.965 4.227 -0.996) 4.449 1.900 ( -1.541 3.887 -0.391) 4.199 2.080 ( -0.443 2.254 -1.795) 2.915 2.341 ( -4.801 1.572 0.972) 5.145 2.623 ( 1.282 -0.511 -2.220) 2.614 2.799 ( -1.287 1.132 4.441) 4.760 3.265 ( 3.450 6.742 -1.564) 7.734 3.357 ( 1.015 0.930 -3.906) 4.141 3.523 ( -0.460 4.454 -3.653) 5.779 3.804 ( -3.566 3.015 -2.053) 5.101 3.972 ( 4.746 -3.982 -5.101) 8.025 4.039 ( -1.422 -0.407 -2.497) 2.902 8.320 ( 3.943 -4.423 -0.547) 5.950 8.929 ( -13.587 -4.034 0.763) 14.193 9.747 ( 13.689 1.795 -8.371) 16.146 10.889 ( 2.251 -11.484 3.925) 12.343 15.231 ( 5.556 -4.133 -1.742) 7.140 16.550 ( -8.571 -3.097 -0.817) 9.150 ======================= Grid point 605 (278/429) ======================= q-point: (-0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 5.277 5.429 0.145) 7.572 1.035 ( -1.159 6.740 1.099) 6.927 1.432 ( -9.182 2.188 -3.609) 10.105 1.648 ( 1.924 3.405 0.889) 4.011 1.812 ( -3.433 3.891 -0.044) 5.189 2.015 ( 1.388 4.439 -1.312) 4.833 2.264 ( -5.985 2.948 -0.878) 6.730 2.636 ( -0.713 0.685 0.490) 1.103 2.718 ( -3.339 6.656 3.406) 8.188 3.175 ( 2.162 3.587 -2.022) 4.651 3.336 ( 2.666 1.129 -3.055) 4.209 3.424 ( -0.158 3.982 -4.400) 5.936 3.736 ( -2.879 1.167 -1.717) 3.550 3.993 ( -0.246 0.184 -5.251) 5.259 4.071 ( 3.013 -4.330 -5.794) 7.836 8.439 ( 6.065 -5.373 -0.798) 8.142 8.939 ( -13.515 -5.580 1.154) 14.667 9.733 ( 13.871 5.078 -11.318) 18.609 11.164 ( 4.249 -14.164 5.573) 15.803 15.349 ( 7.716 -4.987 -1.030) 9.245 16.549 ( -12.590 -4.014 -0.906) 13.246 ======================= Grid point 606 (279/429) ======================= q-point: (-0.21 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 2.153 6.717 1.953) 7.319 0.908 ( -2.645 6.514 3.850) 8.015 1.288 ( -8.036 6.100 -3.452) 10.663 1.632 ( 4.120 2.147 0.499) 4.673 1.734 ( -3.279 1.398 1.545) 3.885 1.923 ( 3.038 6.806 0.083) 7.454 2.166 ( -6.762 2.635 -2.371) 7.635 2.469 ( -3.795 12.889 1.716) 13.545 2.680 ( -4.112 -1.229 1.994) 4.733 3.147 ( 0.461 -0.230 -1.427) 1.517 3.306 ( 2.627 3.176 -2.500) 4.821 3.351 ( 1.099 2.302 -4.592) 5.253 3.714 ( -1.202 -0.509 -0.886) 1.577 3.977 ( -0.383 -1.273 -4.096) 4.306 4.166 ( 2.380 -7.374 -5.821) 9.691 8.573 ( 7.555 -4.731 -0.958) 8.966 8.976 ( -11.592 -5.821 1.198) 13.027 9.616 ( 11.230 10.925 -12.853) 20.264 11.503 ( 5.776 -16.769 6.161) 18.776 15.499 ( 9.657 -5.646 0.950) 11.226 16.537 ( -15.216 -4.147 -0.664) 15.785 ======================= Grid point 607 (280/429) ======================= q-point: (-0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -1.491 7.247 3.167) 8.048 0.823 ( -1.570 3.863 7.722) 8.776 1.086 ( -4.984 9.963 -0.310) 11.144 1.596 ( 0.045 2.063 -0.786) 2.208 1.744 ( 2.860 0.556 1.652) 3.349 1.814 ( 1.384 5.717 2.894) 6.556 2.035 ( -4.325 9.364 -0.194) 10.316 2.246 ( -5.527 5.231 -3.244) 8.273 2.686 ( -4.507 -1.383 2.644) 5.405 3.143 ( -1.076 2.673 0.026) 2.882 3.249 ( 2.881 1.918 -2.812) 4.459 3.294 ( 1.116 2.765 -4.302) 5.234 3.726 ( 0.119 -1.117 0.012) 1.124 4.011 ( 0.451 -3.384 -1.653) 3.793 4.352 ( 1.403 -14.040 -2.997) 14.425 8.676 ( 9.610 -0.780 -1.482) 9.755 8.994 ( -9.483 -0.740 0.326) 9.517 9.375 ( 4.795 13.585 -9.955) 17.511 11.883 ( 4.597 -18.110 3.284) 18.971 15.673 ( 10.102 -5.498 3.133) 11.920 16.520 ( -13.349 -3.785 0.524) 13.885 ======================= Grid point 608 (281/429) ======================= q-point: (-0.07 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( -1.500 4.463 4.123) 6.259 0.730 ( -1.972 9.617 5.646) 11.325 0.970 ( -0.915 -0.134 7.687) 7.742 1.566 ( -0.039 1.076 0.348) 1.131 1.676 ( -0.538 4.648 -0.624) 4.720 1.771 ( 0.225 10.166 2.493) 10.469 1.848 ( -1.197 0.664 3.536) 3.791 2.183 ( -2.196 -1.171 -6.742) 7.186 2.705 ( -3.020 -2.100 2.939) 4.708 3.018 ( -0.803 8.277 2.747) 8.757 3.238 ( 0.964 1.857 -4.854) 5.285 3.259 ( 1.030 -1.095 -1.477) 2.107 3.750 ( 1.383 -0.919 -0.048) 1.661 4.071 ( 0.250 -2.721 0.216) 2.741 4.653 ( 1.217 -16.342 -0.417) 16.393 8.661 ( 16.992 13.007 -2.761) 21.577 8.839 ( -14.570 3.856 0.038) 15.071 9.230 ( -1.912 0.729 -1.707) 2.665 12.193 ( -1.386 -12.440 -1.663) 12.627 15.828 ( 6.826 -3.575 4.114) 8.735 16.535 ( -3.993 -3.291 1.456) 5.375 ======================= Grid point 610 (282/429) ======================= q-point: ( 0.07 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 8.258 -0.000 0.811) 8.297 0.656 ( 0.765 -0.000 2.977) 3.073 1.082 ( -4.204 0.000 6.066) 7.380 1.564 ( -1.983 0.000 -0.915) 2.184 1.564 ( -4.079 0.000 4.604) 6.151 1.642 ( 2.502 -0.000 0.983) 2.688 1.990 ( 6.917 -0.000 3.652) 7.821 2.118 ( 2.874 -0.000 -9.550) 9.973 2.761 ( 2.816 -0.000 1.858) 3.374 2.984 ( -0.457 0.000 6.530) 6.546 3.166 ( 0.639 -0.000 -5.932) 5.967 3.271 ( 1.192 -0.000 -0.211) 1.210 3.797 ( 3.645 -0.000 -2.034) 4.174 4.097 ( -1.375 0.000 0.485) 1.458 4.784 ( -7.151 0.000 0.590) 7.176 8.405 ( -15.686 0.000 -0.471) 15.693 8.894 ( 13.715 -0.000 0.684) 13.732 9.230 ( 2.278 -0.000 0.931) 2.461 12.136 ( -15.383 0.000 4.676) 16.078 15.899 ( -4.570 0.000 1.041) 4.687 16.699 ( 14.298 -0.000 -4.077) 14.868 ======================= Grid point 611 (283/429) ======================= q-point: ( 0.14 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 5.908 -2.507 -0.310) 6.425 0.825 ( 5.746 -12.112 1.624) 13.504 1.021 ( -4.959 3.690 3.365) 7.038 1.533 ( -1.805 1.682 3.944) 4.652 1.608 ( -3.565 -4.913 0.140) 6.071 1.808 ( 2.502 -13.203 1.520) 13.524 2.039 ( 5.328 0.078 1.882) 5.651 2.092 ( 5.802 0.996 -7.252) 9.341 2.770 ( 4.310 1.705 2.134) 5.102 3.062 ( -0.277 -4.986 4.183) 6.515 3.174 ( 0.515 -2.839 -5.000) 5.773 3.271 ( 2.003 0.966 -0.230) 2.236 3.795 ( 3.517 1.619 -2.617) 4.673 4.052 ( -2.420 3.726 0.222) 4.448 4.567 ( -8.103 16.129 1.408) 18.105 8.426 ( -17.625 -10.249 -0.876) 20.407 9.021 ( 13.382 -4.513 -0.627) 14.137 9.234 ( 4.053 1.838 0.842) 4.529 11.983 ( -16.450 7.925 6.319) 19.322 15.817 ( -6.894 5.244 -0.953) 8.714 16.732 ( 15.941 4.160 -3.367) 16.816 ======================= Grid point 612 (284/429) ======================= q-point: ( 0.21 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 5.262 -4.454 -0.805) 6.941 0.963 ( -3.364 0.612 1.465) 3.720 1.102 ( 8.118 -11.367 0.833) 13.993 1.520 ( -2.535 -0.567 3.390) 4.271 1.681 ( -3.309 -4.835 0.064) 5.859 2.021 ( 3.587 -0.293 -0.127) 3.602 2.074 ( 4.616 -6.061 -6.677) 10.130 2.192 ( 5.695 -10.991 4.171) 13.063 2.777 ( 5.398 1.561 1.490) 5.813 3.157 ( 0.726 -3.020 2.368) 3.906 3.227 ( 0.860 -3.806 -4.051) 5.625 3.255 ( 1.416 1.373 -1.016) 2.218 3.747 ( 0.339 4.240 -2.459) 4.913 3.949 ( -2.736 4.915 1.109) 5.734 4.229 ( -5.488 14.357 2.227) 15.530 8.473 ( -14.436 -4.665 -0.081) 15.171 9.165 ( 11.445 -0.572 -1.176) 11.519 9.243 ( 0.590 -3.179 -0.760) 3.322 11.724 ( -15.151 11.805 5.474) 19.972 15.630 ( -8.880 8.538 -1.753) 12.443 16.728 ( 16.566 5.701 -1.380) 17.573 ======================= Grid point 613 (285/429) ======================= q-point: ( 0.29 0.07 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 4.267 -2.509 -1.496) 5.171 0.971 ( -2.043 -2.714 0.786) 3.487 1.304 ( 8.222 -4.227 2.273) 9.520 1.574 ( -0.725 -5.547 0.653) 5.633 1.746 ( -1.134 -3.974 0.598) 4.176 2.014 ( 0.931 0.428 -2.266) 2.487 2.187 ( 7.894 -3.984 -1.513) 8.971 2.486 ( 1.286 -14.339 2.282) 14.576 2.783 ( 5.621 1.753 -0.155) 5.890 3.169 ( 3.732 3.509 -1.239) 5.270 3.243 ( -1.861 -1.994 0.338) 2.749 3.293 ( 0.069 -3.450 -2.035) 4.006 3.652 ( -4.031 2.480 0.629) 4.774 3.886 ( 0.570 2.045 2.196) 3.054 4.022 ( -2.445 7.055 1.962) 7.720 8.427 ( -9.611 1.347 0.441) 9.715 9.170 ( 13.152 5.490 -0.803) 14.274 9.333 ( -7.384 -7.038 -0.773) 10.231 11.428 ( -12.192 13.103 3.473) 18.232 15.409 ( -9.014 8.407 -0.802) 12.352 16.712 ( 15.039 6.099 -0.194) 16.230 ======================= Grid point 614 (286/429) ======================= q-point: ( 0.36 0.07 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 2.613 -0.762 -2.077) 3.424 1.036 ( -0.688 -4.777 0.890) 4.907 1.409 ( 3.761 -2.902 3.342) 5.808 1.690 ( 5.018 -5.282 -2.022) 7.561 1.833 ( 1.186 -4.655 1.627) 5.072 2.006 ( -1.846 -0.691 -0.508) 2.035 2.294 ( 5.268 -3.394 -0.512) 6.287 2.652 ( -0.159 -0.680 -0.886) 1.128 2.838 ( 5.103 -6.572 -0.717) 8.351 3.128 ( -0.713 1.005 -0.738) 1.436 3.262 ( -0.448 -1.103 0.932) 1.512 3.368 ( 1.357 -4.868 -0.261) 5.061 3.640 ( -2.391 -2.010 2.796) 4.192 3.886 ( 1.269 -0.009 1.945) 2.323 3.932 ( -0.997 2.791 2.516) 3.888 8.334 ( -5.422 3.568 0.820) 6.542 9.131 ( 10.498 6.288 -0.503) 12.247 9.405 ( -8.953 -6.873 0.151) 11.288 11.132 ( -8.390 13.379 2.257) 15.952 15.225 ( -7.382 5.999 0.761) 9.543 16.682 ( 11.756 5.854 0.003) 13.133 ======================= Grid point 615 (287/429) ======================= q-point: ( 0.43 0.07 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 2.897 -1.197 -1.742) 3.586 1.147 ( -0.261 -7.188 0.297) 7.199 1.491 ( 0.784 -3.225 2.613) 4.224 1.789 ( 3.793 -2.667 -3.135) 5.597 1.921 ( 3.147 -2.879 1.141) 4.415 2.026 ( -3.268 -2.955 1.600) 4.688 2.370 ( 2.793 -2.578 0.854) 3.896 2.607 ( 1.144 3.348 -2.215) 4.175 2.931 ( 0.501 0.564 -3.506) 3.586 3.161 ( -0.813 -6.221 2.986) 6.948 3.310 ( 1.799 -3.260 -0.029) 3.724 3.473 ( 2.452 -4.791 0.597) 5.415 3.698 ( -1.923 -3.810 3.502) 5.521 3.873 ( 0.870 1.848 1.365) 2.457 3.949 ( -0.064 -2.399 2.956) 3.807 8.252 ( -1.780 3.124 1.241) 3.803 9.061 ( 2.939 5.659 0.548) 6.400 9.493 ( -4.106 -7.204 -0.636) 8.316 10.866 ( -4.786 11.797 2.234) 12.925 15.112 ( -4.708 2.808 1.627) 5.718 16.640 ( 7.699 5.046 -0.241) 9.209 ======================= Grid point 616 (288/429) ======================= q-point: ( 0.50 0.07 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 4.781 -0.754 -1.304) 5.013 1.275 ( -1.429 -6.393 -0.291) 6.557 1.553 ( 0.771 -1.606 1.849) 2.567 1.800 ( -2.040 -0.236 -2.599) 3.313 1.990 ( 4.996 -1.248 0.273) 5.157 2.069 ( -2.945 -2.653 1.203) 4.142 2.438 ( 2.752 -1.733 0.441) 3.282 2.547 ( -0.877 1.555 -0.277) 1.806 2.854 ( -1.108 4.327 -3.044) 5.405 3.297 ( 1.341 -5.212 2.175) 5.805 3.388 ( 2.182 -3.823 -1.712) 4.723 3.570 ( 2.371 -3.714 0.314) 4.418 3.757 ( -2.814 -2.524 1.832) 4.200 3.875 ( 2.451 -0.348 2.744) 3.696 3.998 ( -1.132 -1.880 1.640) 2.740 8.213 ( 1.264 1.478 1.260) 2.318 8.968 ( -5.348 3.846 0.971) 6.659 9.612 ( 3.012 -6.357 -1.673) 7.231 10.676 ( -2.710 6.958 2.278) 7.807 15.075 ( -1.852 -0.189 1.122) 2.174 16.590 ( 3.642 3.866 -0.410) 5.327 ======================= Grid point 617 (289/429) ======================= q-point: (-0.43 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 7.071 0.329 -1.157) 7.173 1.336 ( -2.527 -1.282 -0.598) 2.896 1.548 ( -1.975 2.572 1.195) 3.456 1.793 ( -1.217 -1.224 -1.281) 2.150 2.015 ( 3.737 1.589 -0.321) 4.074 2.092 ( -2.276 -1.236 0.162) 2.595 2.413 ( 0.998 3.744 -0.817) 3.960 2.591 ( -2.561 -4.620 1.333) 5.448 2.774 ( 1.106 2.506 -0.968) 2.905 3.365 ( 1.032 -1.219 -0.253) 1.617 3.433 ( 2.253 0.218 -2.570) 3.424 3.619 ( 0.505 -0.412 -1.939) 2.046 3.800 ( -0.146 -3.894 -0.496) 3.929 3.901 ( 0.096 0.820 1.268) 1.513 4.019 ( -0.802 -0.762 1.386) 1.774 8.223 ( 3.710 -0.556 0.771) 3.830 8.871 ( -11.296 1.381 0.821) 11.410 9.736 ( 9.590 -3.418 -2.283) 10.434 10.610 ( -2.744 -1.057 1.390) 3.253 15.099 ( 0.589 -2.560 -0.448) 2.665 16.540 ( -0.066 2.500 -0.319) 2.521 ======================= Grid point 618 (290/429) ======================= q-point: (-0.36 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 9.052 1.892 -1.262) 9.333 1.286 ( -0.473 5.076 -0.794) 5.159 1.473 ( -7.790 1.909 0.395) 8.030 1.788 ( 0.459 2.143 -0.509) 2.250 1.975 ( 2.130 4.124 -0.986) 4.745 2.085 ( -2.583 0.370 -0.198) 2.617 2.355 ( -1.961 2.145 0.543) 2.956 2.622 ( 0.234 -0.329 -1.832) 1.876 2.794 ( 0.600 -2.221 3.468) 4.161 3.358 ( 0.267 1.911 -3.922) 4.371 3.392 ( 3.104 3.668 -1.865) 5.154 3.577 ( -1.029 3.097 -3.777) 4.991 3.844 ( -2.746 3.552 -0.631) 4.534 3.889 ( 2.450 -4.912 -3.610) 6.569 4.025 ( -0.809 0.378 -0.121) 0.901 8.283 ( 5.809 -2.592 0.200) 6.364 8.797 ( -13.902 -1.445 0.799) 13.999 9.821 ( 12.831 0.373 -4.014) 13.450 10.696 ( -2.778 -9.490 0.934) 9.932 15.168 ( 2.553 -4.401 -1.940) 5.445 16.495 ( -3.433 1.179 -0.169) 3.634 ======================= Grid point 619 (291/429) ======================= q-point: (-0.29 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 9.648 4.423 -0.941) 10.655 1.164 ( 0.607 7.258 -0.329) 7.291 1.393 ( -9.773 1.126 -1.490) 9.950 1.716 ( -0.885 4.261 -0.579) 4.390 1.890 ( 0.738 5.540 -1.153) 5.707 2.053 ( -2.302 1.217 -0.390) 2.633 2.299 ( -2.896 3.067 0.391) 4.237 2.629 ( 1.341 -0.494 -0.598) 1.550 2.817 ( -1.393 2.418 4.164) 5.013 3.262 ( 0.884 5.551 -4.514) 7.209 3.362 ( 3.449 1.294 -2.741) 4.592 3.481 ( -1.256 4.195 -4.472) 6.259 3.754 ( -2.487 3.426 -0.840) 4.316 3.968 ( 2.061 -2.675 -5.617) 6.554 3.996 ( -1.617 -0.438 -3.414) 3.803 8.388 ( 7.561 -4.258 -0.073) 8.677 8.769 ( -13.695 -4.266 1.007) 14.380 9.840 ( 11.893 3.120 -7.681) 14.498 10.919 ( -1.316 -14.852 2.394) 15.101 15.276 ( 4.251 -6.048 -2.216) 7.717 16.454 ( -6.362 0.071 -0.185) 6.365 ======================= Grid point 620 (292/429) ======================= q-point: (-0.21 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 7.500 7.154 0.428) 10.373 1.032 ( -1.042 7.209 1.285) 7.397 1.295 ( -7.498 2.331 -4.165) 8.888 1.667 ( 0.057 0.050 0.356) 0.364 1.778 ( -1.776 5.584 -0.733) 5.906 2.015 ( 0.317 1.988 -0.783) 2.160 2.200 ( -3.462 5.515 -0.239) 6.516 2.637 ( -0.317 1.102 1.176) 1.643 2.708 ( -2.385 8.695 2.787) 9.437 3.165 ( 0.647 3.120 -3.611) 4.815 3.351 ( 2.841 1.248 -2.402) 3.924 3.390 ( 0.171 3.291 -4.256) 5.383 3.699 ( -1.532 0.703 -0.764) 1.851 3.939 ( -1.844 0.158 -4.282) 4.665 4.045 ( 1.146 -4.622 -6.772) 8.279 8.522 ( 7.741 -5.044 -0.005) 9.239 8.798 ( -11.071 -6.424 1.112) 12.848 9.782 ( 8.975 6.272 -11.289) 15.727 11.228 ( -0.106 -17.304 4.389) 17.853 15.424 ( 5.400 -7.487 -1.061) 9.292 16.417 ( -7.874 -0.970 -0.183) 7.936 ======================= Grid point 621 (293/429) ======================= q-point: (-0.14 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 2.833 9.293 1.835) 9.887 0.916 ( -1.288 4.888 4.160) 6.546 1.191 ( -3.054 4.456 -3.537) 6.458 1.645 ( -1.830 4.321 -0.264) 4.700 1.730 ( 0.159 -2.750 1.601) 3.186 1.959 ( 2.952 6.007 -0.009) 6.694 2.080 ( -3.629 3.110 -2.032) 5.193 2.449 ( -2.135 15.080 1.906) 15.349 2.658 ( -1.726 -0.488 1.736) 2.496 3.135 ( 0.258 -0.566 -2.046) 2.138 3.308 ( 1.149 3.308 -2.864) 4.524 3.335 ( 1.527 2.243 -3.658) 4.554 3.700 ( -0.261 -1.331 -0.266) 1.383 3.939 ( -1.077 -2.893 -2.931) 4.256 4.132 ( -0.387 -8.091 -5.349) 9.706 8.651 ( 4.223 -4.582 0.377) 6.242 8.874 ( -5.390 -6.395 0.752) 8.397 9.614 ( 5.375 11.683 -12.632) 18.026 11.574 ( -1.009 -18.206 4.877) 18.875 15.600 ( 4.619 -8.105 0.761) 9.360 16.404 ( -5.527 -2.435 0.165) 6.041 ======================= Grid point 622 (294/429) ======================= q-point: (-0.07 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 1.400 8.059 2.402) 8.525 0.875 ( 0.056 2.886 7.431) 7.972 1.049 ( -0.435 7.685 -0.986) 7.760 1.570 ( -3.683 1.540 0.262) 4.001 1.756 ( -1.741 3.080 -0.330) 3.553 1.873 ( 3.765 2.388 4.042) 6.018 2.011 ( 1.505 7.302 -0.570) 7.477 2.179 ( -1.998 8.873 -2.915) 9.551 2.674 ( -0.721 -1.232 2.455) 2.839 3.133 ( -0.648 2.448 0.329) 2.554 3.253 ( 1.872 1.272 -3.132) 3.864 3.274 ( 0.767 3.214 -3.750) 4.998 3.732 ( 1.066 -1.769 -0.252) 2.081 4.000 ( -0.667 -4.553 -0.811) 4.672 4.328 ( -1.993 -15.899 -1.797) 16.123 8.733 ( -2.756 -3.059 0.892) 4.213 8.935 ( 2.694 1.167 -0.872) 3.063 9.335 ( 1.425 13.659 -9.057) 16.451 11.900 ( -5.135 -16.563 3.421) 17.676 15.766 ( 0.700 -7.006 2.156) 7.364 16.458 ( 2.594 -4.565 0.156) 5.252 ======================= Grid point 625 (295/429) ======================= q-point: ( 0.14 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 1.708 -0.000 1.532) 2.294 0.716 ( 12.856 -0.000 -1.946) 13.002 1.048 ( -6.850 0.000 4.546) 8.221 1.523 ( -2.727 0.000 -1.588) 3.156 1.584 ( -0.891 0.000 5.017) 5.095 1.685 ( 3.097 -0.000 0.803) 3.199 2.063 ( 4.028 -0.000 -6.722) 7.837 2.130 ( 8.340 -0.000 1.053) 8.406 2.824 ( 4.873 -0.000 1.518) 5.104 3.029 ( -0.137 0.000 5.318) 5.320 3.127 ( 0.505 -0.000 -5.209) 5.233 3.295 ( 2.385 -0.000 0.862) 2.536 3.820 ( 3.816 -0.000 -3.879) 5.442 4.074 ( -2.765 0.000 -0.057) 2.766 4.680 ( -10.666 0.000 1.302) 10.745 8.197 ( -17.391 0.000 -0.558) 17.399 9.067 ( 13.561 -0.000 0.368) 13.566 9.293 ( 6.311 -0.000 1.758) 6.552 11.972 ( -20.578 0.000 7.374) 21.859 15.817 ( -7.116 0.000 -3.517) 7.938 16.856 ( 16.914 -0.000 -3.326) 17.238 ======================= Grid point 626 (296/429) ======================= q-point: ( 0.21 0.14 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 6.635 -2.351 0.120) 7.040 0.897 ( 3.236 -8.702 -1.958) 9.488 1.005 ( 0.991 -0.096 4.304) 4.418 1.546 ( -0.824 2.060 1.744) 2.822 1.565 ( -3.522 -4.617 0.062) 5.807 1.844 ( 2.061 -12.300 -0.422) 12.479 2.051 ( 5.145 0.912 -5.882) 7.868 2.193 ( 8.520 -0.579 3.183) 9.114 2.845 ( 5.398 1.397 1.323) 5.731 3.092 ( -0.003 -4.287 3.489) 5.527 3.142 ( 0.251 -3.142 -3.981) 5.078 3.303 ( 2.808 1.392 0.590) 3.189 3.805 ( 2.464 2.279 -4.802) 5.859 4.018 ( -3.291 3.700 0.378) 4.966 4.474 ( -9.296 13.903 2.470) 16.906 8.208 ( -17.399 -10.661 -0.294) 20.408 9.157 ( 9.899 -1.350 -0.381) 9.998 9.324 ( 9.197 2.114 1.545) 9.563 11.806 ( -21.759 6.427 6.166) 23.511 15.701 ( -7.863 5.530 -4.795) 10.743 16.915 ( 17.433 3.657 -1.251) 17.856 ======================= Grid point 627 (297/429) ======================= q-point: ( 0.29 0.14 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 8.818 -3.401 0.144) 9.452 0.915 ( -4.586 -1.003 -0.163) 4.697 1.226 ( 9.529 -11.162 1.972) 14.808 1.511 ( -2.072 0.194 0.776) 2.221 1.647 ( -1.958 -5.463 -0.194) 5.806 2.020 ( 3.110 -1.774 -7.241) 8.078 2.109 ( 3.474 -8.054 1.292) 8.866 2.305 ( 6.583 -6.298 3.850) 9.891 2.853 ( 5.512 1.796 0.530) 5.822 3.182 ( -0.712 -3.628 2.937) 4.721 3.207 ( 0.837 -4.694 -3.413) 5.863 3.275 ( 3.546 3.788 -0.976) 5.280 3.706 ( -3.608 5.852 -2.680) 7.378 3.941 ( -0.472 2.849 1.721) 3.362 4.187 ( -5.244 12.028 3.624) 13.613 8.300 ( -14.272 -8.176 0.932) 16.475 9.215 ( 0.858 -1.578 -0.321) 1.824 9.342 ( 12.715 3.707 0.355) 13.249 11.551 ( -19.548 9.113 3.195) 21.803 15.505 ( -7.922 8.114 -3.531) 11.877 16.925 ( 16.393 6.184 0.542) 17.529 ======================= Grid point 628 (298/429) ======================= q-point: ( 0.36 0.14 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 6.173 0.002 -2.914) 6.826 0.958 ( 0.080 -4.010 2.459) 4.705 1.406 ( 2.977 -1.780 3.492) 4.922 1.582 ( 3.369 -8.573 -1.975) 9.421 1.745 ( 1.004 -5.571 0.924) 5.736 2.005 ( 0.489 1.579 -1.873) 2.498 2.251 ( 4.430 -4.994 -1.581) 6.860 2.522 ( 1.383 -11.022 2.205) 11.325 2.843 ( 5.171 2.246 -1.263) 5.778 3.179 ( -0.130 4.427 -2.805) 5.242 3.249 ( 1.552 -0.971 1.594) 2.427 3.290 ( 1.614 -4.272 0.177) 4.570 3.612 ( -4.789 0.321 2.893) 5.605 3.918 ( 1.460 1.311 1.805) 2.666 4.013 ( -2.599 6.199 3.553) 7.603 8.329 ( -7.637 -1.755 1.882) 8.059 9.221 ( -6.905 -0.533 0.568) 6.949 9.350 ( 12.913 3.059 0.140) 13.271 11.280 ( -15.169 9.603 0.758) 17.969 15.304 ( -7.039 7.346 -0.894) 10.213 16.890 ( 13.664 7.738 1.039) 15.737 ======================= Grid point 629 (299/429) ======================= q-point: ( 0.43 0.14 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 7.243 0.406 -2.186) 7.577 1.042 ( 0.448 -4.440 1.894) 4.847 1.445 ( -1.316 -2.158 1.968) 3.204 1.742 ( 4.019 -5.081 -1.653) 6.686 1.870 ( 4.549 -5.357 1.700) 7.231 1.976 ( -3.453 -0.400 1.209) 3.680 2.346 ( 4.028 -3.025 -0.896) 5.117 2.644 ( 0.057 -0.608 -0.988) 1.162 2.882 ( 3.953 -4.239 -2.714) 6.400 3.105 ( -2.464 0.899 0.456) 2.663 3.282 ( 2.116 -1.399 1.051) 2.746 3.395 ( 2.336 -5.119 1.453) 5.811 3.639 ( -2.638 -3.106 4.303) 5.926 3.910 ( 0.749 1.265 0.783) 1.665 3.951 ( -0.601 1.139 4.684) 4.858 8.304 ( -1.142 1.976 2.239) 3.197 9.147 ( -9.114 3.450 1.561) 9.869 9.408 ( 9.542 -1.834 0.577) 9.734 11.026 ( -10.612 9.637 -0.086) 14.335 15.155 ( -5.404 4.706 1.292) 7.281 16.818 ( 10.070 8.102 0.726) 12.945 ======================= Grid point 630 (300/429) ======================= q-point: ( 0.50 0.14 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 8.472 -0.191 -1.321) 8.577 1.150 ( -0.289 -6.204 1.268) 6.339 1.500 ( -1.436 -4.049 0.952) 4.400 1.779 ( -2.544 0.024 -1.290) 2.852 1.993 ( 5.195 -3.576 1.584) 6.503 2.004 ( -0.823 -2.675 2.054) 3.471 2.408 ( 1.996 -2.101 1.053) 3.083 2.608 ( 1.861 3.397 -2.706) 4.725 2.891 ( -1.782 2.055 -3.953) 4.798 3.187 ( 0.740 -7.923 2.738) 8.416 3.335 ( 2.341 -2.459 0.165) 3.399 3.506 ( 2.101 -4.704 0.978) 5.244 3.700 ( -2.652 -2.908 3.576) 5.318 3.901 ( 1.651 0.459 1.592) 2.340 3.975 ( -0.448 -1.291 4.034) 4.259 8.274 ( 3.318 2.698 2.151) 4.788 9.013 ( -11.321 4.938 2.222) 12.549 9.532 ( 9.219 -5.037 0.553) 10.520 10.803 ( -7.297 8.620 0.104) 11.294 15.077 ( -3.414 1.687 1.852) 4.235 16.726 ( 6.405 7.407 0.324) 9.797 ======================= Grid point 631 (301/429) ======================= q-point: ( 0.57 0.14 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 9.337 -0.334 -1.078) 9.405 1.252 ( -2.709 -4.824 0.691) 5.575 1.571 ( 0.376 -2.239 1.229) 2.582 1.744 ( -4.342 -0.435 -1.388) 4.580 2.044 ( -2.352 -1.606 2.429) 3.743 2.074 ( 7.059 -0.350 0.368) 7.078 2.465 ( 0.835 -2.132 0.551) 2.355 2.531 ( -0.895 3.265 -1.291) 3.623 2.821 ( -0.384 2.581 -2.606) 3.688 3.331 ( 1.512 -4.574 1.813) 5.147 3.393 ( 1.251 -3.014 -2.325) 4.007 3.591 ( 1.410 -2.751 -0.350) 3.111 3.733 ( -2.982 -2.136 0.956) 3.791 3.922 ( 1.497 0.036 1.945) 2.455 4.012 ( 0.078 -1.139 3.591) 3.768 8.268 ( 5.987 1.702 1.541) 6.412 8.859 ( -13.204 4.357 2.080) 14.059 9.700 ( 10.984 -6.087 0.527) 12.569 10.631 ( -6.105 5.306 -0.092) 8.089 15.062 ( -1.551 -0.979 0.701) 1.963 16.631 ( 3.164 6.107 0.213) 6.881 ======================= Grid point 632 (302/429) ======================= q-point: (-0.36 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 10.142 0.377 -1.276) 10.229 1.290 ( -4.645 -1.640 0.024) 4.926 1.531 ( -2.577 5.841 1.524) 6.563 1.777 ( 0.040 -3.603 -1.141) 3.779 2.048 ( -0.271 1.244 1.345) 1.852 2.089 ( 2.614 1.969 0.518) 3.313 2.413 ( 0.847 4.787 -1.847) 5.200 2.563 ( -3.166 -4.650 0.859) 5.691 2.790 ( 2.063 0.230 -0.042) 2.076 3.372 ( 1.000 0.495 -0.972) 1.480 3.428 ( 0.758 -0.613 -3.104) 3.253 3.597 ( -0.860 1.571 -2.920) 3.426 3.784 ( -0.821 -4.758 -1.402) 5.028 3.902 ( -0.880 2.802 0.357) 2.959 4.041 ( 1.011 0.315 2.967) 3.150 8.300 ( 7.753 -0.223 0.726) 7.790 8.723 ( -13.969 2.067 1.564) 14.208 9.870 ( 13.049 -3.310 0.377) 13.467 10.552 ( -6.909 -2.049 -1.241) 7.312 15.095 ( -0.106 -3.284 -1.151) 3.481 16.543 ( 0.542 4.703 0.305) 4.744 ======================= Grid point 633 (303/429) ======================= q-point: (-0.29 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 10.404 1.897 -1.409) 10.669 1.264 ( -2.626 1.700 -0.969) 3.275 1.389 ( -6.164 6.422 1.175) 8.979 1.789 ( 0.528 2.996 -0.772) 3.139 1.999 ( 3.010 5.254 -1.215) 6.176 2.056 ( -3.026 1.147 1.720) 3.665 2.336 ( -0.987 2.843 -0.620) 3.073 2.616 ( 0.303 -2.054 -0.569) 2.153 2.830 ( 1.013 -1.630 2.948) 3.518 3.331 ( 0.433 3.342 -3.877) 5.137 3.405 ( 2.112 2.034 -2.641) 3.946 3.519 ( -2.459 3.486 -5.038) 6.602 3.816 ( -1.580 3.892 -0.061) 4.201 3.874 ( 0.309 -4.484 -3.998) 6.015 4.020 ( -0.255 2.984 0.526) 3.041 8.377 ( 9.371 -2.419 0.224) 9.680 8.636 ( -13.665 -1.319 1.154) 13.777 9.946 ( 11.449 2.940 -2.286) 12.039 10.642 ( -5.943 -12.471 -0.669) 13.831 15.172 ( 0.847 -5.551 -2.301) 6.069 16.467 ( -1.329 3.516 0.280) 3.769 ======================= Grid point 634 (304/429) ======================= q-point: (-0.21 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 6.580 4.933 -0.660) 8.250 1.181 ( 3.078 7.896 -0.092) 8.475 1.265 ( -8.477 1.222 -1.839) 8.760 1.697 ( -0.311 4.505 -1.454) 4.744 1.887 ( -0.126 6.849 -1.082) 6.935 2.034 ( -0.781 0.903 0.983) 1.546 2.277 ( -0.979 3.508 -0.047) 3.643 2.642 ( 1.057 -0.478 0.081) 1.163 2.834 ( -0.598 3.627 3.410) 5.014 3.234 ( 0.567 5.101 -4.364) 6.737 3.379 ( 3.005 1.218 -2.799) 4.284 3.423 ( -2.153 2.828 -4.679) 5.876 3.729 ( -1.224 3.620 -0.434) 3.845 3.941 ( 0.576 -3.879 -5.506) 6.760 3.947 ( -2.054 2.893 -1.874) 4.013 8.494 ( 9.213 -3.399 0.247) 9.823 8.624 ( -11.017 -5.439 0.866) 12.317 9.896 ( 6.494 5.857 -6.906) 11.143 10.905 ( -3.385 -17.819 2.057) 18.254 15.292 ( 0.996 -7.788 -2.034) 8.111 16.403 ( -1.787 2.324 0.062) 2.932 ======================= Grid point 635 (305/429) ======================= q-point: (-0.14 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 1.558 8.041 0.581) 8.212 1.026 ( -1.679 7.171 1.289) 7.477 1.210 ( 0.528 1.450 -4.258) 4.529 1.667 ( 0.446 -1.415 -0.440) 1.547 1.753 ( -1.514 6.395 -0.143) 6.573 2.018 ( 1.043 0.995 -0.516) 1.531 2.178 ( -0.324 6.892 0.064) 6.900 2.646 ( 0.360 1.292 0.984) 1.663 2.709 ( -0.617 9.850 2.211) 10.114 3.144 ( 0.766 2.689 -3.403) 4.404 3.350 ( -0.838 2.120 -2.305) 3.242 3.366 ( 1.967 1.602 -3.444) 4.277 3.684 ( -0.396 0.334 -0.551) 0.756 3.888 ( -1.957 0.270 -2.436) 3.136 3.997 ( -0.715 -4.504 -5.351) 7.031 8.583 ( -1.926 -3.913 0.826) 4.439 8.729 ( 2.265 -7.804 0.258) 8.130 9.763 ( 1.999 7.802 -9.933) 12.788 11.240 ( -3.125 -18.756 4.224) 19.478 15.447 ( -0.648 -9.300 -0.732) 9.351 16.371 ( 0.747 0.317 -0.148) 0.825 ======================= Grid point 636 (306/429) ======================= q-point: (-0.07 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -1.258 8.447 1.000) 8.599 0.947 ( 0.709 3.214 3.691) 4.945 1.163 ( 3.071 4.033 -3.463) 6.139 1.609 ( -4.099 5.046 1.543) 6.682 1.745 ( 0.753 -2.638 0.425) 2.776 1.994 ( 2.527 4.117 0.208) 4.835 2.056 ( 2.478 3.743 -2.376) 5.079 2.447 ( -0.814 16.033 1.869) 16.162 2.670 ( 1.715 -0.417 1.341) 2.216 3.127 ( 1.104 -1.045 -1.711) 2.289 3.292 ( -0.029 2.776 -2.643) 3.833 3.324 ( 0.881 2.750 -2.798) 4.021 3.699 ( 0.165 -1.903 -0.457) 1.964 3.904 ( -1.866 -3.898 -1.282) 4.508 4.081 ( -2.108 -8.334 -2.948) 9.088 8.638 ( -6.800 -4.294 0.986) 8.103 8.896 ( 7.910 -6.311 -0.061) 10.119 9.547 ( -1.212 11.685 -9.869) 15.343 11.570 ( -5.730 -17.484 5.002) 19.066 15.606 ( -4.371 -9.267 0.559) 10.262 16.415 ( 7.082 -2.989 -0.471) 7.702 ======================= Grid point 640 (307/429) ======================= q-point: ( 0.21 0.21 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 2.095 -0.000 0.535) 2.162 0.836 ( 5.165 -0.000 0.106) 5.166 1.039 ( 4.216 -0.000 1.907) 4.627 1.477 ( -2.478 0.000 -1.932) 3.142 1.593 ( -1.820 0.000 0.558) 1.903 1.726 ( 2.847 -0.000 0.395) 2.875 2.072 ( 7.183 -0.000 -5.624) 9.123 2.252 ( 7.240 -0.000 4.003) 8.274 2.894 ( 4.963 -0.000 0.824) 5.031 3.055 ( 0.910 -0.000 -1.033) 1.376 3.103 ( -0.616 0.000 0.361) 0.714 3.336 ( 2.409 -0.000 1.545) 2.862 3.818 ( 2.412 -0.000 -6.539) 6.970 4.034 ( -3.225 0.000 -0.100) 3.226 4.563 ( -10.610 0.000 2.262) 10.849 7.989 ( -16.282 0.000 -0.346) 16.285 9.219 ( 11.381 -0.000 -0.098) 11.381 9.408 ( 10.093 -0.000 2.018) 10.293 11.742 ( -26.471 0.000 5.354) 27.007 15.685 ( -7.001 0.000 -7.030) 9.921 17.053 ( 17.422 -0.000 0.247) 17.424 ======================= Grid point 641 (308/429) ======================= q-point: ( 0.29 0.21 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 4.273 -5.121 1.715) 6.887 0.863 ( -4.954 -1.916 -0.304) 5.320 1.127 ( 12.988 -4.767 0.820) 13.859 1.523 ( -1.573 -5.348 -1.791) 5.855 1.537 ( -1.752 2.207 -0.662) 2.894 1.851 ( 1.667 -9.731 -2.419) 10.164 2.101 ( 8.179 -0.004 -2.256) 8.485 2.311 ( 5.505 -0.617 4.269) 6.993 2.913 ( 4.652 1.149 0.370) 4.806 3.101 ( 1.224 -4.872 -3.825) 6.314 3.130 ( -1.392 -2.476 3.118) 4.218 3.343 ( 2.497 1.445 1.129) 3.098 3.767 ( -0.614 3.706 -7.486) 8.376 3.992 ( -1.600 2.393 0.949) 3.031 4.393 ( -8.067 11.354 3.666) 14.402 8.011 ( -15.260 -11.183 0.613) 18.929 9.257 ( 7.287 2.390 -0.260) 7.673 9.469 ( 12.453 1.468 1.237) 12.600 11.549 ( -26.780 4.491 2.401) 27.260 15.568 ( -6.090 5.063 -6.450) 10.214 17.124 ( 16.280 3.845 1.960) 16.842 ======================= Grid point 642 (309/429) ======================= q-point: ( 0.36 0.21 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -5.445 -2.741 0.630) 6.128 0.951 ( 9.911 -3.834 0.171) 10.628 1.338 ( 4.645 -9.439 2.349) 10.779 1.483 ( -0.968 0.126 -2.579) 2.757 1.648 ( 3.775 -7.017 -0.663) 7.996 2.007 ( 3.807 -4.898 -5.817) 8.504 2.157 ( 2.354 -3.285 1.402) 4.278 2.396 ( 3.186 -4.788 3.776) 6.880 2.911 ( 3.979 2.044 -0.638) 4.518 3.179 ( -2.377 -2.076 1.127) 3.351 3.196 ( 1.285 -5.286 -2.228) 5.878 3.325 ( 5.046 2.817 0.207) 5.783 3.632 ( -5.057 4.868 -1.919) 7.277 3.957 ( 0.826 1.611 1.109) 2.124 4.161 ( -4.601 10.200 4.718) 12.143 8.157 ( -11.356 -11.370 2.781) 16.308 9.220 ( 0.032 3.671 -0.054) 3.671 9.506 ( 13.795 3.533 0.234) 14.242 11.305 ( -22.605 5.514 -0.698) 23.278 15.395 ( -5.108 7.212 -3.525) 9.515 17.122 ( 13.782 7.213 2.506) 15.755 ======================= Grid point 643 (310/429) ======================= q-point: ( 0.43 0.21 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -1.630 -4.363 -0.182) 4.661 1.051 ( 10.094 -0.231 0.626) 10.116 1.416 ( -2.228 -0.457 -0.212) 2.284 1.596 ( -1.634 -10.422 0.593) 10.566 1.818 ( 10.778 -6.472 -0.120) 12.573 1.999 ( 0.156 3.910 -0.452) 3.939 2.267 ( 0.576 -6.777 -1.578) 6.982 2.546 ( -0.255 -7.889 1.660) 8.065 2.884 ( 3.864 2.094 -2.230) 4.929 3.137 ( -2.808 3.419 -2.529) 5.096 3.279 ( 3.000 -2.080 -0.397) 3.672 3.347 ( 4.617 -2.092 3.285) 6.040 3.584 ( -4.632 -2.100 4.216) 6.606 3.940 ( 0.606 1.325 0.285) 1.484 4.019 ( -2.036 5.056 5.109) 7.471 8.285 ( -3.402 -5.430 4.217) 7.671 9.133 ( -8.334 3.081 0.932) 8.934 9.519 ( 13.965 3.694 0.314) 14.449 11.079 ( -16.807 5.516 -2.340) 17.843 15.232 ( -4.083 6.403 -0.211) 7.597 17.050 ( 10.531 9.334 1.977) 14.210 ======================= Grid point 644 (311/429) ======================= q-point: ( 0.50 0.21 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 3.383 -4.046 -0.482) 5.296 1.102 ( 7.342 0.139 1.397) 7.475 1.422 ( -2.018 -2.492 -1.264) 3.447 1.730 ( -4.969 -4.339 1.522) 6.770 1.940 ( -3.455 -0.395 3.048) 4.625 1.992 ( 11.317 -4.307 0.027) 12.108 2.374 ( 1.779 -4.141 -0.955) 4.607 2.632 ( -0.860 -1.254 -1.559) 2.178 2.884 ( 1.107 -0.105 -4.154) 4.301 3.086 ( -1.309 -2.340 0.852) 2.813 3.325 ( 3.406 -1.165 1.286) 3.823 3.447 ( 3.416 -3.922 2.855) 5.933 3.641 ( -3.020 -3.641 4.587) 6.589 3.922 ( 0.457 0.662 0.530) 0.964 3.982 ( -0.883 0.822 4.826) 4.975 8.349 ( 4.566 0.431 3.927) 6.038 9.015 ( -13.901 3.185 2.473) 14.474 9.562 ( 13.061 0.347 1.087) 13.111 10.878 ( -11.976 5.958 -2.510) 13.610 15.117 ( -2.980 4.053 1.811) 5.347 16.931 ( 7.238 9.804 1.168) 12.242 ======================= Grid point 645 (312/429) ======================= q-point: ( 0.57 0.21 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 9.144 -1.184 -0.798) 9.255 1.164 ( 0.727 -3.216 2.017) 3.865 1.483 ( -0.376 -5.585 -1.474) 5.788 1.718 ( -6.997 0.584 1.563) 7.193 1.989 ( -3.003 -3.844 3.840) 6.208 2.113 ( 10.437 -1.576 0.104) 10.555 2.427 ( -0.629 -1.567 1.220) 2.083 2.599 ( 0.994 3.085 -4.201) 5.306 2.839 ( -1.587 1.629 -3.282) 3.993 3.211 ( 0.358 -8.430 0.964) 8.492 3.370 ( 2.722 -0.963 1.096) 3.089 3.543 ( 2.393 -3.436 1.595) 4.481 3.691 ( -2.932 -1.763 2.562) 4.274 3.933 ( 1.386 -0.471 1.471) 2.075 4.002 ( -0.628 -1.364 4.354) 4.606 8.367 ( 8.694 3.028 2.615) 9.571 8.870 ( -14.915 4.317 3.181) 15.850 9.677 ( 11.941 -3.936 1.973) 12.727 10.694 ( -9.070 6.102 -2.062) 11.124 15.060 ( -1.901 1.494 1.819) 3.025 16.796 ( 4.385 8.929 0.647) 9.969 ======================= Grid point 646 (313/429) ======================= q-point: ( 0.64 0.21 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 10.482 0.058 -0.999) 10.530 1.220 ( -4.291 -2.802 1.489) 5.337 1.588 ( 1.569 -2.458 0.611) 2.979 1.677 ( -5.116 -2.278 -0.808) 5.659 2.040 ( -2.146 -1.475 4.082) 4.842 2.172 ( 8.222 1.707 -0.114) 8.398 2.459 ( -3.486 -3.389 1.592) 5.116 2.510 ( 1.235 5.067 -3.807) 6.457 2.804 ( 0.566 0.503 -2.156) 2.285 3.349 ( -0.303 -5.758 -0.707) 5.809 3.393 ( 1.429 0.279 -0.189) 1.468 3.603 ( 1.201 -0.648 -0.511) 1.457 3.705 ( -2.293 -2.149 0.264) 3.154 3.938 ( -0.414 1.231 1.106) 1.706 4.054 ( 1.199 -1.565 4.111) 4.560 8.376 ( 9.527 2.459 1.166) 9.908 8.712 ( -13.474 4.440 2.841) 14.469 9.857 ( 11.944 -6.347 2.694) 13.791 10.531 ( -8.620 4.741 -2.354) 10.116 15.050 ( -1.025 -0.864 0.345) 1.385 16.667 ( 2.232 7.403 0.481) 7.747 ======================= Grid point 647 (314/429) ======================= q-point: (-0.29 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 9.682 0.387 -1.497) 9.805 1.224 ( -6.722 -0.958 0.669) 6.823 1.518 ( -1.259 7.190 1.545) 7.461 1.772 ( 0.851 -5.276 -1.631) 5.587 2.053 ( -1.250 0.325 3.637) 3.859 2.133 ( 3.161 5.870 -0.482) 6.684 2.406 ( 0.958 5.305 -2.435) 5.915 2.537 ( -1.683 -5.573 0.466) 5.841 2.815 ( 1.949 -1.461 -0.200) 2.444 3.372 ( 0.549 2.176 -1.807) 2.882 3.406 ( -0.586 -1.571 -1.917) 2.547 3.559 ( -0.837 3.847 -3.494) 5.264 3.764 ( -0.712 -4.588 -1.144) 4.782 3.891 ( -1.222 3.541 0.544) 3.786 4.078 ( 0.991 1.619 2.649) 3.258 8.410 ( 8.511 -0.209 0.136) 8.515 8.580 ( -10.481 2.807 2.069) 11.046 10.042 ( 12.950 -2.231 2.930) 13.464 10.426 ( -10.677 -3.031 -3.573) 11.660 15.081 ( -0.545 -3.259 -1.218) 3.522 16.556 ( 0.938 5.876 0.368) 5.962 ======================= Grid point 648 (315/429) ======================= q-point: (-0.21 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -5.341 1.497 -0.106) 5.548 1.225 ( 5.110 0.118 -1.813) 5.423 1.366 ( 1.188 9.148 0.892) 9.267 1.788 ( 0.730 3.679 -1.222) 3.945 2.013 ( 0.450 7.319 -1.335) 7.453 2.054 ( 0.182 0.690 2.581) 2.678 2.323 ( -0.009 2.904 -1.017) 3.077 2.616 ( 0.140 -3.087 -0.208) 3.097 2.864 ( 1.524 -1.424 1.779) 2.741 3.306 ( 0.086 4.038 -3.201) 5.154 3.402 ( 0.501 0.549 -2.078) 2.207 3.452 ( -1.171 4.450 -4.716) 6.589 3.800 ( -1.159 4.331 0.209) 4.489 3.840 ( -1.015 -3.862 -2.887) 4.927 4.025 ( 0.036 4.900 0.728) 4.954 8.479 ( -6.385 -3.935 0.380) 7.510 8.520 ( 6.509 0.372 0.744) 6.562 10.036 ( 4.942 7.621 -2.233) 9.353 10.563 ( -5.256 -16.446 0.015) 17.265 15.155 ( -0.816 -5.840 -1.716) 6.141 16.466 ( 0.915 4.470 0.070) 4.563 ======================= Grid point 649 (316/429) ======================= q-point: (-0.14 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -6.131 3.242 -0.659) 6.966 1.162 ( -2.403 7.650 -0.268) 8.023 1.270 ( 8.631 4.019 -1.411) 9.624 1.694 ( 1.877 4.400 -1.481) 5.007 1.873 ( -0.585 7.135 -0.439) 7.173 2.045 ( 0.933 1.405 0.764) 1.851 2.274 ( 0.474 3.282 0.067) 3.317 2.651 ( 0.346 -0.877 -0.319) 0.995 2.859 ( 0.942 4.474 2.370) 5.150 3.209 ( 0.413 4.793 -3.369) 5.873 3.359 ( -2.737 1.742 -3.019) 4.432 3.393 ( 2.770 1.315 -2.678) 4.071 3.712 ( -1.108 3.489 -0.309) 3.674 3.893 ( -1.629 -3.133 -2.933) 4.590 3.929 ( -0.079 4.128 -0.969) 4.241 8.480 ( -9.878 -3.663 0.853) 10.570 8.648 ( 11.937 -5.301 -0.158) 13.062 9.876 ( -1.388 8.291 -6.124) 10.401 10.884 ( -3.020 -19.218 2.956) 19.677 15.269 ( -2.569 -8.060 -1.058) 8.525 16.411 ( 3.133 2.477 -0.310) 4.006 ======================= Grid point 650 (317/429) ======================= q-point: (-0.07 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -6.001 6.508 -0.310) 8.858 1.033 ( 0.135 4.946 0.496) 4.973 1.240 ( 6.965 3.535 -2.064) 8.079 1.666 ( -0.745 1.046 0.436) 1.356 1.757 ( 2.545 4.512 0.020) 5.181 2.027 ( 1.235 1.027 -1.069) 1.930 2.191 ( 2.222 6.519 0.264) 6.892 2.658 ( 0.502 1.564 0.336) 1.677 2.731 ( 1.975 9.379 1.541) 9.708 3.132 ( 1.270 2.088 -2.545) 3.528 3.314 ( -2.126 1.035 -1.689) 2.906 3.365 ( 1.368 2.291 -2.317) 3.534 3.672 ( -0.951 0.007 -0.617) 1.133 3.858 ( -1.124 0.796 -0.128) 1.383 3.953 ( -1.126 -4.170 -2.431) 4.957 8.508 ( -8.604 -4.874 0.677) 9.912 8.832 ( 11.874 -6.653 -0.305) 13.614 9.674 ( -5.080 8.664 -7.010) 12.247 11.227 ( -4.737 -18.415 4.364) 19.509 15.401 ( -6.004 -9.070 -0.095) 10.878 16.425 ( 8.141 -0.906 -0.594) 8.212 ======================= Grid point 655 (318/429) ======================= q-point: ( 0.29 0.29 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 1.933 -0.000 0.023) 1.933 0.815 ( -6.978 0.000 1.390) 7.115 1.190 ( 15.433 -0.000 0.159) 15.433 1.434 ( -1.869 0.000 -2.061) 2.782 1.557 ( -0.751 0.000 -3.581) 3.659 1.760 ( 2.390 -0.000 0.060) 2.391 2.149 ( 10.015 -0.000 -1.821) 10.179 2.353 ( 3.497 -0.000 4.416) 5.633 2.950 ( 3.488 -0.000 0.051) 3.488 3.040 ( 1.806 -0.000 -5.510) 5.798 3.110 ( -1.928 0.000 3.882) 4.334 3.372 ( 0.855 -0.000 2.240) 2.398 3.765 ( -0.031 0.000 -10.377) 10.377 4.009 ( -1.096 0.000 0.717) 1.310 4.471 ( -8.329 0.000 3.578) 9.065 7.807 ( -13.514 0.000 0.090) 13.515 9.337 ( 8.615 -0.000 -0.561) 8.633 9.561 ( 12.700 -0.000 1.577) 12.798 11.418 ( -30.701 0.000 0.181) 30.702 15.556 ( -4.249 0.000 -7.338) 8.479 17.267 ( 15.003 -0.000 3.553) 15.418 ======================= Grid point 656 (319/429) ======================= q-point: ( 0.36 0.29 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( -7.074 -1.248 1.157) 7.276 0.862 ( 3.711 -9.123 -0.165) 9.850 1.270 ( 5.916 -1.500 1.149) 6.210 1.481 ( -2.130 -1.813 -3.356) 4.369 1.545 ( 8.271 -3.724 -2.529) 9.416 1.856 ( 2.103 -7.905 -1.771) 8.369 2.197 ( 8.969 1.135 -0.610) 9.061 2.385 ( 0.827 -0.446 4.521) 4.617 2.957 ( 2.358 1.083 -0.469) 2.637 3.084 ( 1.704 -5.365 -4.004) 6.908 3.134 ( -2.330 -2.049 2.722) 4.127 3.378 ( 1.202 0.618 2.275) 2.646 3.679 ( -1.641 4.018 -10.077) 10.972 3.994 ( 0.428 1.410 0.981) 1.770 4.341 ( -6.122 9.482 4.781) 12.258 7.858 ( -11.410 -12.271 1.539) 16.826 9.329 ( 5.116 5.260 -0.681) 7.369 9.635 ( 13.477 1.377 0.773) 13.569 11.209 ( -28.748 1.803 -2.522) 28.915 15.464 ( -2.803 4.471 -5.533) 7.646 17.326 ( 12.626 4.476 4.146) 14.023 ======================= Grid point 657 (320/429) ======================= q-point: ( 0.43 0.29 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -4.592 -4.151 1.072) 6.282 1.059 ( 7.317 -6.617 0.059) 9.866 1.346 ( -4.860 -6.208 1.247) 7.982 1.459 ( 0.517 -0.578 -2.947) 3.047 1.744 ( 12.815 -8.724 -1.518) 15.577 2.018 ( 3.959 -7.167 -3.368) 8.853 2.183 ( 0.303 2.807 0.765) 2.925 2.441 ( -0.231 -4.039 3.585) 5.406 2.935 ( 1.588 1.971 -1.549) 2.967 3.141 ( -3.948 0.006 -0.872) 4.043 3.208 ( 3.009 -6.405 -1.080) 7.158 3.393 ( 4.842 0.507 1.613) 5.129 3.560 ( -4.057 2.358 -2.066) 5.127 3.972 ( 0.528 1.741 0.165) 1.826 4.153 ( -3.406 8.784 5.573) 10.946 8.078 ( -6.564 -14.824 4.382) 16.794 9.212 ( -0.863 8.011 -0.763) 8.094 9.672 ( 13.118 3.467 0.393) 13.574 11.009 ( -22.464 1.402 -4.157) 22.889 15.330 ( -1.886 6.423 -2.330) 7.088 17.288 ( 9.621 8.394 3.465) 13.230 ======================= Grid point 658 (321/429) ======================= q-point: ( 0.50 0.29 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -1.425 -6.352 1.611) 6.706 1.161 ( 6.086 -0.907 -0.624) 6.184 1.392 ( 2.161 -0.094 -2.675) 3.440 1.555 ( -6.468 -10.524 2.387) 12.581 1.959 ( 9.984 -4.509 -1.119) 11.012 2.010 ( 2.899 4.595 1.400) 5.610 2.249 ( -1.026 -8.720 -1.512) 8.909 2.540 ( -2.462 -5.586 0.880) 6.168 2.900 ( 1.924 1.907 -2.600) 3.755 3.078 ( -3.249 2.082 -2.671) 4.694 3.320 ( 3.725 -3.034 0.394) 4.820 3.438 ( 5.872 -1.314 3.119) 6.778 3.564 ( -4.288 -3.988 4.165) 7.186 3.939 ( -0.632 1.404 -0.206) 1.553 4.042 ( -1.133 4.329 5.084) 6.772 8.316 ( 1.635 -9.608 6.068) 11.480 9.038 ( -7.787 7.311 0.045) 10.681 9.683 ( 12.027 3.372 0.962) 12.528 10.850 ( -15.911 1.730 -4.589) 16.650 15.202 ( -1.303 5.824 0.575) 5.996 17.171 ( 6.574 10.627 2.230) 12.693 ======================= Grid point 659 (322/429) ======================= q-point: ( 0.57 0.29 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 0.723 -6.463 1.878) 6.769 1.193 ( 4.832 0.252 -0.622) 4.878 1.404 ( 2.487 -1.540 -2.868) 4.097 1.675 ( -6.084 -3.314 3.328) 7.686 1.919 ( -3.711 -1.151 3.474) 5.212 2.140 ( 12.116 -3.190 -0.433) 12.536 2.373 ( -0.779 -4.865 -0.375) 4.941 2.592 ( -2.485 -2.000 -3.344) 4.621 2.855 ( -0.279 2.503 -3.270) 4.127 3.080 ( -0.879 -5.010 0.285) 5.095 3.379 ( 3.566 -1.121 1.361) 3.978 3.521 ( 4.473 -2.178 3.384) 6.017 3.638 ( -2.813 -3.672 3.476) 5.785 3.931 ( 0.277 -0.791 0.599) 1.031 4.006 ( -1.147 1.110 4.182) 4.477 8.475 ( 10.216 -0.951 4.857) 11.352 8.865 ( -13.698 4.647 1.877) 14.586 9.720 ( 10.499 0.145 2.053) 10.698 10.708 ( -11.111 3.122 -4.053) 12.232 15.110 ( -0.857 3.976 1.937) 4.505 17.008 ( 3.926 10.858 1.180) 11.606 ======================= Grid point 660 (323/429) ======================= q-point: ( 0.64 0.29 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -0.821 -4.638 2.000) 5.117 1.211 ( 5.577 0.768 -0.657) 5.668 1.474 ( 1.186 -6.438 -2.982) 7.194 1.660 ( -4.253 1.115 3.383) 5.547 1.991 ( -1.812 -4.609 3.958) 6.340 2.235 ( 9.217 -0.413 -0.402) 9.235 2.407 ( -4.239 -0.928 1.519) 4.598 2.569 ( 1.173 1.784 -5.890) 6.265 2.804 ( -0.760 1.011 -2.054) 2.412 3.209 ( -1.187 -7.980 -0.021) 8.067 3.416 ( 2.905 0.028 1.441) 3.243 3.591 ( 3.047 -1.760 2.221) 4.161 3.673 ( -2.199 -0.818 0.892) 2.510 3.953 ( 0.282 -0.046 1.098) 1.134 4.030 ( -0.279 -2.607 3.919) 4.715 8.513 ( 11.393 4.888 1.599) 12.500 8.724 ( -12.480 3.217 3.633) 13.390 9.828 ( 8.743 -4.397 2.954) 10.222 10.564 ( -8.146 4.790 -3.111) 9.948 15.059 ( -0.452 1.931 1.522) 2.500 16.839 ( 1.957 9.611 0.573) 9.825 ======================= Grid point 661 (324/429) ======================= q-point: (-0.29 -0.71 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -6.783 -1.328 1.762) 7.133 1.239 ( 7.806 0.042 -1.464) 7.942 1.614 ( -4.381 -2.548 0.218) 5.073 1.628 ( 4.878 -3.337 -0.461) 5.928 2.059 ( -0.636 -1.401 4.522) 4.776 2.242 ( 2.295 3.791 -1.128) 4.573 2.430 ( -1.385 -4.184 1.080) 4.538 2.501 ( 2.530 4.456 -3.996) 6.498 2.795 ( 0.343 -0.951 -1.925) 2.174 3.321 ( -2.159 -5.135 -1.091) 5.676 3.420 ( 2.023 1.677 0.677) 2.713 3.612 ( 1.414 2.592 -0.894) 3.085 3.686 ( -1.130 -3.013 0.326) 3.234 3.939 ( -0.627 1.855 1.026) 2.210 4.094 ( 0.487 -1.712 3.027) 3.512 8.466 ( -0.386 3.587 0.135) 3.610 8.632 ( 1.064 4.295 2.926) 5.305 10.006 ( 7.068 -8.340 3.221) 11.397 10.405 ( -7.031 6.369 -2.857) 9.908 15.045 ( -0.177 -0.182 0.242) 0.351 16.689 ( 0.839 7.752 0.224) 7.801 ======================= Grid point 662 (325/429) ======================= q-point: (-0.21 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -8.579 -0.230 0.700) 8.610 1.275 ( 6.651 0.479 -1.595) 6.857 1.531 ( 1.457 6.859 1.181) 7.111 1.772 ( 1.526 -5.376 -1.701) 5.842 2.079 ( 0.362 0.440 3.802) 3.845 2.139 ( -1.095 6.366 -1.442) 6.619 2.400 ( 1.400 5.370 -2.464) 6.072 2.535 ( 0.913 -5.182 0.321) 5.271 2.830 ( 1.270 -2.978 -1.196) 3.451 3.348 ( -1.843 0.819 -1.224) 2.359 3.399 ( 1.111 0.751 -0.823) 1.574 3.530 ( 0.579 5.365 -2.671) 6.021 3.749 ( -0.689 -3.821 -0.390) 3.902 3.885 ( -0.831 4.021 0.977) 4.221 4.101 ( -0.064 2.288 1.502) 2.737 8.399 ( -8.851 0.336 0.655) 8.881 8.609 ( 11.173 2.878 0.739) 11.561 10.210 ( 4.287 8.200 1.028) 9.310 10.254 ( -6.485 -12.710 -1.400) 14.338 15.067 ( -0.403 -2.584 -0.622) 2.688 16.568 ( 0.832 5.881 -0.153) 5.942 ======================= Grid point 663 (326/429) ======================= q-point: (-0.14 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -8.708 0.569 -0.187) 8.728 1.269 ( 3.099 3.851 -1.248) 5.099 1.417 ( 5.428 6.796 0.167) 8.699 1.791 ( 1.299 3.330 -0.962) 3.701 1.998 ( -0.826 7.096 -1.432) 7.286 2.083 ( 1.257 1.317 1.586) 2.415 2.324 ( 1.360 2.730 -0.374) 3.073 2.610 ( -0.752 -2.961 -0.624) 3.118 2.893 ( 1.943 -2.201 -0.080) 2.937 3.281 ( -1.081 4.241 -1.517) 4.633 3.379 ( -0.751 2.325 -2.162) 3.262 3.436 ( 2.489 3.309 -1.721) 4.484 3.790 ( -1.305 4.424 0.774) 4.677 3.812 ( -0.831 -2.617 -0.909) 2.893 4.028 ( -0.325 5.451 0.287) 5.468 8.364 ( -9.549 -2.291 0.751) 9.848 8.668 ( 13.428 -1.053 -0.194) 13.470 10.000 ( -6.455 9.302 -4.322) 12.119 10.547 ( 0.615 -16.757 3.174) 17.066 15.129 ( -1.796 -5.031 -0.501) 5.365 16.486 ( 2.535 3.787 -0.557) 4.591 ======================= Grid point 664 (327/429) ======================= q-point: (-0.07 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -7.393 2.668 -1.270) 7.962 1.152 ( 0.038 7.731 -0.475) 7.746 1.362 ( 7.201 4.634 0.056) 8.564 1.716 ( 2.988 4.191 -0.558) 5.177 1.873 ( 1.146 5.961 -0.540) 6.094 2.057 ( 0.267 2.031 0.018) 2.049 2.291 ( 2.002 2.972 0.605) 3.634 2.643 ( -0.557 -1.875 -1.329) 2.365 2.895 ( 2.621 4.468 0.895) 5.257 3.187 ( -0.678 4.038 -1.815) 4.479 3.312 ( -1.808 1.978 -1.417) 3.031 3.410 ( 2.717 2.107 -1.306) 3.678 3.699 ( -1.361 3.695 0.815) 4.021 3.863 ( -0.920 -2.902 -0.645) 3.112 3.926 ( 0.018 4.612 0.163) 4.615 8.373 ( -8.389 -4.169 0.544) 9.384 8.802 ( 13.484 -4.613 -0.372) 14.256 9.769 ( -8.610 8.804 -4.723) 13.189 10.882 ( -2.079 -18.054 3.836) 18.573 15.219 ( -4.767 -6.752 0.159) 8.267 16.467 ( 6.475 0.659 -0.743) 6.550 ======================= Grid point 670 (328/429) ======================= q-point: ( 0.36 0.36 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -6.128 0.000 0.779) 6.177 0.767 ( 1.203 -0.000 -0.066) 1.205 1.297 ( -0.834 0.000 -0.804) 1.158 1.400 ( -1.044 0.000 -2.022) 2.275 1.593 ( 14.377 -0.000 -3.634) 14.829 1.784 ( 1.743 -0.000 -0.121) 1.747 2.268 ( 10.217 -0.000 0.078) 10.217 2.402 ( -1.066 0.000 4.235) 4.367 2.975 ( 0.731 -0.000 -0.128) 0.743 3.019 ( 1.530 -0.000 -4.914) 5.146 3.111 ( -2.208 0.000 2.514) 3.345 3.394 ( -0.777 0.000 3.744) 3.823 3.662 ( -0.105 0.000 -14.231) 14.232 4.015 ( 0.703 -0.000 0.896) 1.139 4.420 ( -5.746 0.000 4.776) 7.472 7.670 ( -9.467 0.000 0.536) 9.482 9.417 ( 5.633 -0.000 -0.868) 5.700 9.730 ( 13.384 -0.000 0.747) 13.405 11.025 ( -30.375 0.000 -4.481) 30.704 15.473 ( -0.957 0.000 -5.548) 5.630 17.458 ( 10.538 -0.000 5.047) 11.684 ======================= Grid point 671 (329/429) ======================= q-point: ( 0.43 0.36 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -4.773 -1.715 1.747) 5.364 0.899 ( 2.556 -11.352 0.167) 11.637 1.255 ( -6.488 -0.243 -0.975) 6.566 1.437 ( -0.646 -2.709 -3.026) 4.113 1.692 ( 15.505 -3.472 -1.881) 16.000 1.874 ( 3.041 -7.326 -1.025) 7.998 2.288 ( 5.692 4.243 -0.871) 7.153 2.414 ( -0.817 -0.885 4.855) 5.002 2.959 ( -0.748 1.065 -1.077) 1.690 3.074 ( -1.089 -5.267 -1.035) 5.477 3.123 ( 0.113 -2.191 -0.236) 2.207 3.412 ( -0.050 -0.744 4.559) 4.619 3.576 ( 0.171 2.699 -13.067) 13.344 4.009 ( 0.648 1.521 0.363) 1.693 4.322 ( -3.964 8.347 5.504) 10.756 7.764 ( -6.483 -14.022 2.063) 15.586 9.369 ( 2.714 7.462 -1.077) 8.013 9.798 ( 12.295 1.639 0.373) 12.409 10.841 ( -25.741 -1.188 -5.460) 26.341 15.412 ( 0.091 4.035 -3.763) 5.518 17.486 ( 7.924 5.160 4.613) 10.521 ======================= Grid point 672 (330/429) ======================= q-point: ( 0.50 0.36 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -2.621 -5.336 2.691) 6.525 1.117 ( 2.725 -6.539 -1.193) 7.184 1.280 ( -6.221 -9.870 0.729) 11.689 1.444 ( 0.700 0.399 -2.084) 2.234 1.891 ( 12.103 -8.943 -2.315) 15.225 2.045 ( 3.822 -8.802 -1.508) 9.714 2.174 ( -2.062 7.964 0.214) 8.229 2.463 ( -0.046 -2.338 3.264) 4.015 2.927 ( -0.881 1.265 -1.373) 2.064 3.075 ( -4.442 0.936 -2.603) 5.233 3.248 ( 3.878 -7.105 0.237) 8.098 3.464 ( 2.176 -2.041 4.391) 5.309 3.501 ( -0.534 0.150 -5.182) 5.211 3.970 ( -0.732 2.498 -0.354) 2.627 4.169 ( -1.533 7.790 5.492) 9.653 8.068 ( -1.369 -18.437 4.717) 19.080 9.189 ( -1.392 11.212 -1.193) 11.361 9.817 ( 9.588 3.419 0.717) 10.204 10.721 ( -17.721 -2.110 -5.459) 18.662 15.309 ( 0.484 5.874 -1.269) 6.029 17.405 ( 5.165 9.406 3.277) 11.220 ======================= Grid point 673 (331/429) ======================= q-point: ( 0.57 0.36 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -0.762 -7.336 3.120) 8.009 1.167 ( -1.273 -2.325 -2.455) 3.613 1.422 ( 0.432 1.318 -1.456) 2.011 1.510 ( -0.218 -12.635 2.266) 12.839 1.988 ( -1.755 8.395 1.876) 8.779 2.108 ( 8.170 -7.399 -2.207) 11.241 2.238 ( 1.604 -9.258 -0.905) 9.439 2.509 ( -2.487 -2.495 0.203) 3.529 2.891 ( -0.165 2.015 -2.112) 2.924 3.020 ( -3.092 -0.247 -2.056) 3.722 3.368 ( 3.287 -3.066 0.493) 4.521 3.535 ( 6.190 -1.585 2.639) 6.913 3.546 ( -2.987 -5.587 2.467) 6.799 3.925 ( -1.350 0.857 0.014) 1.599 4.071 ( -0.323 4.592 4.170) 6.211 8.408 ( 4.709 -13.978 5.950) 15.905 8.956 ( -4.694 11.170 -0.687) 12.135 9.809 ( 6.328 2.674 1.513) 7.034 10.645 ( -10.621 -0.692 -4.770) 11.664 15.204 ( 0.548 5.510 0.730) 5.585 17.242 ( 2.586 11.516 1.855) 11.947 ======================= Grid point 674 (332/429) ======================= q-point: (-0.36 -0.64 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -1.899 -6.219 2.881) 7.112 1.206 ( 1.331 -3.061 -2.051) 3.918 1.398 ( -3.207 -0.755 -1.343) 3.558 1.682 ( 4.705 -1.871 2.082) 5.475 1.907 ( -2.972 -2.120 3.558) 5.098 2.240 ( 3.438 -3.907 -2.248) 5.669 2.369 ( 1.063 -3.064 1.833) 3.725 2.534 ( -0.212 -2.518 -5.060) 5.656 2.828 ( -1.105 2.857 -1.596) 3.454 3.065 ( -1.987 -6.107 0.417) 6.436 3.425 ( 2.416 -1.441 0.553) 2.867 3.597 ( 1.759 -1.363 2.784) 3.565 3.641 ( 2.165 -2.766 1.459) 3.803 3.936 ( -0.399 -2.154 0.622) 2.277 4.025 ( -0.493 1.532 3.387) 3.750 8.652 ( 8.113 -5.431 4.973) 10.956 8.730 ( -5.621 9.617 -0.140) 11.140 9.826 ( 3.092 -1.008 1.923) 3.778 10.572 ( -5.323 1.856 -3.092) 6.430 15.123 ( 0.631 4.111 1.436) 4.400 17.043 ( 0.537 11.338 0.812) 11.380 ======================= Grid point 675 (333/429) ======================= q-point: (-0.29 -0.64 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -6.231 -2.807 2.249) 7.194 1.259 ( 3.349 -1.306 -1.632) 3.948 1.442 ( -2.338 -7.346 -1.795) 7.916 1.696 ( 5.315 2.453 2.113) 6.223 2.009 ( -0.150 -5.595 3.389) 6.543 2.266 ( -4.449 -0.220 -2.184) 4.961 2.404 ( 2.803 0.019 2.492) 3.751 2.547 ( 3.702 0.367 -5.946) 7.014 2.781 ( -1.099 0.754 -1.021) 1.679 3.188 ( -2.449 -7.454 0.680) 7.875 3.454 ( 1.959 0.078 0.072) 1.962 3.636 ( -0.506 -1.892 1.157) 2.275 3.670 ( 3.720 1.677 0.306) 4.092 3.961 ( -0.163 0.204 0.750) 0.794 4.055 ( -0.322 -3.145 2.897) 4.288 8.536 ( -8.904 6.531 0.329) 11.047 8.752 ( 12.472 2.630 2.692) 13.028 9.901 ( -0.638 -5.549 0.832) 5.648 10.484 ( -0.952 4.825 -0.587) 4.953 15.072 ( 0.877 2.476 0.984) 2.805 16.850 ( -0.701 9.619 0.137) 9.646 ======================= Grid point 676 (334/429) ======================= q-point: (-0.21 -0.64 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -8.635 -0.301 1.205) 8.723 1.295 ( 3.783 -1.217 -1.875) 4.394 1.576 ( -1.668 -5.770 -0.011) 6.006 1.698 ( 6.616 0.285 -0.296) 6.629 2.093 ( 0.697 -1.599 3.481) 3.893 2.197 ( -6.080 2.742 -1.979) 6.957 2.433 ( -0.209 -0.901 -0.660) 1.136 2.529 ( 6.692 2.002 -2.088) 7.290 2.778 ( -0.551 -1.638 -1.793) 2.490 3.291 ( -2.311 -4.680 0.752) 5.273 3.443 ( 1.559 2.013 -0.794) 2.667 3.624 ( 1.977 4.129 -1.464) 4.806 3.687 ( 0.613 -2.454 1.124) 2.768 3.943 ( -0.194 2.059 1.030) 2.310 4.110 ( -0.891 -1.515 1.497) 2.308 8.388 ( -8.757 3.782 0.513) 9.553 8.759 ( 12.992 4.835 0.858) 13.889 10.011 ( -7.428 -8.468 -2.561) 11.551 10.385 ( 4.662 6.896 2.803) 8.783 15.051 ( 0.972 0.623 0.296) 1.192 16.688 ( -0.899 7.305 -0.398) 7.370 ======================= Grid point 677 (335/429) ======================= q-point: (-0.14 -0.64 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -8.120 0.090 0.283) 8.126 1.325 ( 4.038 0.295 -1.562) 4.340 1.559 ( 1.264 5.203 0.728) 5.404 1.786 ( 3.231 -3.767 -1.720) 5.252 2.089 ( -4.305 4.583 -1.826) 6.548 2.115 ( 0.965 0.550 2.295) 2.549 2.397 ( 0.961 3.327 -2.016) 4.007 2.559 ( 2.096 -1.405 0.568) 2.587 2.826 ( 0.550 -4.360 -2.451) 5.032 3.325 ( -1.577 0.636 0.960) 1.953 3.408 ( 1.587 1.779 -1.556) 2.847 3.537 ( 2.760 5.801 -0.550) 6.447 3.743 ( -0.148 -3.064 0.405) 3.094 3.886 ( -0.676 4.427 1.285) 4.659 4.099 ( -1.389 2.327 0.213) 2.718 8.299 ( -7.894 0.726 0.654) 7.954 8.764 ( 13.036 2.743 -0.175) 13.323 10.023 ( -14.104 -0.057 -6.147) 15.386 10.390 ( 8.494 -3.107 5.889) 10.792 15.064 ( 0.194 -1.485 0.180) 1.509 16.571 ( 0.322 4.813 -0.859) 4.900 ======================= Grid point 678 (336/429) ======================= q-point: (-0.07 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -6.262 0.770 -0.700) 6.348 1.287 ( 1.536 5.888 -1.098) 6.184 1.479 ( 4.091 4.332 0.443) 5.975 1.807 ( 2.663 2.463 -1.119) 3.796 1.972 ( -1.480 5.092 -1.346) 5.471 2.101 ( 0.129 2.201 0.414) 2.243 2.351 ( 2.850 2.323 0.558) 3.718 2.589 ( -1.621 -2.041 -0.907) 2.759 2.905 ( 1.351 -3.769 -2.162) 4.550 3.262 ( -1.183 4.889 0.819) 5.096 3.365 ( 0.917 3.697 -1.554) 4.114 3.472 ( 3.806 3.137 0.498) 4.958 3.781 ( -1.753 3.354 1.545) 4.088 3.809 ( 0.230 -0.767 0.878) 1.188 4.021 ( -0.953 4.932 -0.093) 5.024 8.270 ( -6.721 -2.033 0.662) 7.053 8.826 ( 12.718 -1.267 -0.378) 12.786 9.842 ( -12.066 7.118 -4.768) 14.798 10.605 ( 2.544 -12.752 4.655) 13.811 15.106 ( -2.098 -3.382 0.648) 4.032 16.516 ( 3.406 1.762 -1.027) 3.970 ======================= Grid point 685 (337/429) ======================= q-point: ( 0.43 0.43 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -1.435 0.000 3.359) 3.652 0.774 ( -0.090 0.000 0.169) 0.191 1.208 ( -8.431 0.000 -3.205) 9.020 1.377 ( -0.137 0.000 -1.886) 1.891 1.774 ( 15.590 -0.000 -1.900) 15.705 1.799 ( 0.861 -0.000 -0.148) 0.874 2.358 ( 2.854 -0.000 -1.478) 3.214 2.431 ( 2.729 -0.000 5.373) 6.026 2.966 ( -2.714 0.000 1.034) 2.904 2.994 ( -0.585 0.000 -2.926) 2.984 3.104 ( -0.393 0.000 0.363) 0.535 3.419 ( -1.885 0.000 6.007) 6.296 3.543 ( 2.249 -0.000 -17.824) 17.966 4.029 ( 0.414 -0.000 0.226) 0.472 4.407 ( -3.232 0.000 5.329) 6.232 7.590 ( -4.642 0.000 0.731) 4.699 9.460 ( 2.623 -0.000 -0.912) 2.777 9.884 ( 10.731 -0.000 0.202) 10.733 10.647 ( -24.032 0.000 -5.827) 24.728 15.439 ( 1.299 -0.000 -3.791) 4.007 17.596 ( 5.880 -0.000 4.690) 7.521 ======================= Grid point 686 (338/429) ======================= q-point: ( 0.50 0.43 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -1.755 -1.211 3.925) 4.467 0.929 ( 1.588 -12.836 1.332) 13.002 1.144 ( -8.242 -0.738 -2.608) 8.676 1.415 ( 0.303 -3.217 -2.176) 3.896 1.807 ( 4.145 -3.234 -1.007) 5.353 1.926 ( 5.938 -6.472 -1.306) 8.880 2.306 ( 1.021 5.736 -1.582) 6.038 2.474 ( 3.928 0.098 4.183) 5.739 2.930 ( -3.079 1.043 0.087) 3.252 3.029 ( -4.893 -2.542 -0.092) 5.515 3.145 ( 3.595 -5.033 -0.774) 6.233 3.432 ( -4.706 -0.989 2.268) 5.317 3.495 ( 6.224 -0.155 -11.488) 13.067 4.010 ( -0.663 2.064 -0.185) 2.176 4.332 ( -1.623 7.622 5.277) 9.411 7.734 ( -1.229 -16.067 1.825) 16.217 9.378 ( 0.418 8.925 -1.024) 8.993 9.919 ( 5.864 2.038 0.473) 6.226 10.538 ( -15.492 -3.692 -5.066) 16.712 15.399 ( 1.723 3.725 -2.668) 4.895 17.589 ( 3.633 5.756 3.677) 7.736 ======================= Grid point 687 (339/429) ======================= q-point: (-0.43 -0.57 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -1.475 -5.683 3.951) 7.077 1.106 ( -1.470 -2.034 -2.171) 3.318 1.225 ( -5.106 -15.071 2.612) 16.125 1.447 ( 2.388 -0.970 -1.920) 3.214 1.946 ( -0.909 -9.699 -1.494) 9.856 2.072 ( 0.228 -7.774 -1.142) 7.860 2.172 ( 4.308 8.457 -1.476) 9.606 2.503 ( 3.153 0.417 2.301) 3.926 2.898 ( -2.825 0.485 0.214) 2.874 3.003 ( -3.391 1.045 -2.735) 4.480 3.299 ( 3.683 -7.090 0.791) 8.029 3.434 ( -4.120 -3.786 -1.807) 5.880 3.544 ( 6.698 -2.323 -0.653) 7.119 3.952 ( -1.864 2.825 0.018) 3.385 4.200 ( 0.037 7.497 4.279) 8.632 8.112 ( 3.084 -21.203 3.180) 21.661 9.166 ( -0.814 12.547 -0.847) 12.601 9.888 ( -0.278 2.975 0.947) 3.134 10.533 ( -5.652 -3.702 -3.640) 7.675 15.314 ( 1.601 5.466 -1.104) 5.801 17.465 ( 1.162 10.207 2.252) 10.517 ======================= Grid point 688 (340/429) ======================= q-point: (-0.36 -0.57 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -2.493 -7.087 2.929) 8.063 1.140 ( 0.781 -3.341 -1.423) 3.715 1.347 ( -9.996 -1.822 1.789) 10.317 1.585 ( 7.832 -10.921 -0.563) 13.451 1.965 ( -4.386 5.217 1.615) 7.005 2.140 ( 0.801 -4.069 -2.713) 4.956 2.250 ( 0.516 -10.616 -1.384) 10.719 2.519 ( 5.037 0.725 -0.243) 5.095 2.865 ( -1.953 2.135 -0.952) 3.046 2.974 ( -2.850 -1.973 -0.229) 3.474 3.398 ( 1.383 -2.678 -0.507) 3.056 3.524 ( -2.792 -6.294 1.549) 7.057 3.637 ( 8.489 -2.811 0.033) 8.943 3.909 ( -1.705 0.277 0.618) 1.834 4.101 ( 0.452 5.035 2.955) 5.855 8.493 ( 2.337 -14.664 2.593) 15.074 8.940 ( 3.632 11.228 -0.096) 11.801 9.832 ( -4.740 1.367 0.731) 4.987 10.554 ( 0.787 -0.945 -1.378) 1.847 15.220 ( 1.426 5.213 0.091) 5.405 17.262 ( -1.208 12.054 1.029) 12.158 ======================= Grid point 689 (341/429) ======================= q-point: (-0.29 -0.57 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -5.513 -4.884 1.802) 7.582 1.219 ( 1.352 -3.481 -0.921) 3.846 1.322 ( -5.684 -2.925 0.400) 6.405 1.785 ( 9.531 -1.060 -0.933) 9.635 1.904 ( -2.279 -3.762 3.576) 5.669 2.176 ( -8.535 -3.484 -2.535) 9.561 2.408 ( 1.358 -4.835 0.310) 5.032 2.544 ( 7.968 -0.049 -3.532) 8.716 2.801 ( -2.333 2.417 -0.194) 3.365 3.042 ( -2.890 -6.448 1.566) 7.237 3.442 ( 0.550 -1.845 -0.955) 2.149 3.592 ( -1.975 -2.615 -0.256) 3.287 3.726 ( 8.373 -0.382 0.377) 8.391 3.930 ( -1.419 -2.752 0.542) 3.143 4.050 ( 0.605 1.715 2.448) 3.050 8.576 ( -9.992 3.048 0.078) 10.447 8.892 ( 17.133 2.043 1.277) 17.302 9.804 ( -7.190 -2.476 -0.896) 7.657 10.560 ( 4.575 2.164 1.583) 5.303 15.145 ( 1.676 4.061 0.471) 4.419 17.033 ( -2.895 11.352 0.164) 11.717 ======================= Grid point 690 (342/429) ======================= q-point: (-0.21 -0.57 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -8.231 -1.481 1.188) 8.447 1.254 ( -1.659 -3.053 -1.913) 3.966 1.431 ( 2.366 -7.750 -0.030) 8.103 1.779 ( 5.545 3.077 0.483) 6.360 2.040 ( 1.606 -5.944 1.810) 6.418 2.153 ( -9.490 -1.291 -2.473) 9.892 2.442 ( -0.485 0.899 1.508) 1.821 2.578 ( 8.135 0.087 -4.633) 9.362 2.760 ( -1.643 0.675 0.148) 1.782 3.168 ( -2.289 -7.472 2.115) 8.095 3.460 ( 0.373 -0.311 -2.040) 2.097 3.616 ( -1.249 -1.913 -1.519) 2.744 3.747 ( 7.007 3.077 0.540) 7.672 3.959 ( -0.982 -0.667 0.253) 1.214 4.069 ( -0.222 -2.072 1.647) 2.656 8.425 ( -8.389 5.410 -0.146) 9.983 8.935 ( 14.133 4.726 0.541) 14.912 9.825 ( -8.251 -5.487 -3.738) 10.591 10.540 ( 6.529 4.903 4.182) 9.174 15.096 ( 2.214 2.748 0.304) 3.541 16.824 ( -3.486 9.074 -0.488) 9.733 ======================= Grid point 691 (343/429) ======================= q-point: (-0.14 -0.57 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -7.375 -0.286 0.277) 7.386 1.308 ( 1.335 -3.270 -1.889) 4.006 1.571 ( 0.076 -4.556 0.596) 4.595 1.768 ( 5.492 0.776 -1.311) 5.699 2.092 ( -7.775 0.561 -1.056) 7.867 2.126 ( 1.305 -1.299 0.203) 1.853 2.415 ( -2.010 1.013 0.119) 2.254 2.600 ( 6.742 1.164 -1.999) 7.128 2.755 ( -1.165 -1.498 -1.074) 2.181 3.284 ( -0.746 -4.694 2.419) 5.333 3.441 ( 0.595 1.374 -2.623) 3.021 3.629 ( 1.084 0.675 -2.041) 2.408 3.727 ( 4.230 1.962 1.545) 4.912 3.947 ( -0.538 1.852 0.688) 2.047 4.098 ( -2.002 -0.892 0.090) 2.194 8.298 ( -6.358 3.443 0.141) 7.232 8.913 ( 11.058 5.213 -0.145) 12.226 9.855 ( -9.969 -5.183 -5.908) 12.694 10.502 ( 7.091 5.131 5.548) 10.363 15.073 ( 2.228 1.326 0.241) 2.604 16.661 ( -2.694 6.148 -1.014) 6.789 ======================= Grid point 692 (344/429) ======================= q-point: (-0.07 -0.57 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -4.463 -0.052 -0.360) 4.478 1.351 ( 2.384 0.018 -1.361) 2.745 1.567 ( -0.701 3.223 0.726) 3.378 1.815 ( 3.682 -1.896 -2.438) 4.806 2.020 ( -4.486 2.422 -0.828) 5.165 2.133 ( 0.263 1.004 -0.172) 1.052 2.395 ( 0.809 0.316 -0.743) 1.142 2.586 ( 0.985 2.571 1.126) 2.974 2.806 ( -0.039 -5.044 -3.036) 5.888 3.328 ( 0.120 1.272 1.880) 2.273 3.413 ( 1.722 1.247 -1.971) 2.899 3.579 ( 3.773 4.864 0.201) 6.159 3.755 ( 1.067 -1.874 1.225) 2.480 3.887 ( -0.902 4.401 1.483) 4.731 4.074 ( -2.370 1.891 -0.660) 3.103 8.227 ( -4.614 0.756 0.527) 4.705 8.901 ( 9.102 2.137 -0.363) 9.356 9.819 ( -10.760 0.388 -5.816) 12.237 10.519 ( 5.229 -1.433 5.392) 7.646 15.074 ( 0.811 -0.141 0.610) 1.024 16.563 ( -0.222 2.839 -1.243) 3.107 ======================= Grid point 700 (345/429) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 0.211 -0.000 6.036) 6.040 0.766 ( -1.851 0.000 0.673) 1.969 1.086 ( -5.821 0.000 -2.792) 6.456 1.367 ( 0.734 -0.000 -1.708) 1.859 1.802 ( -0.216 0.000 -0.063) 0.225 1.875 ( 1.738 -0.000 -1.752) 2.468 2.367 ( 3.851 -0.000 -2.525) 4.605 2.523 ( 4.892 -0.000 3.408) 5.962 2.938 ( -4.890 0.000 4.503) 6.647 2.955 ( -3.355 0.000 -0.705) 3.428 3.114 ( 2.629 -0.000 -1.216) 2.897 3.384 ( -3.920 0.000 -8.575) 9.429 3.493 ( 5.905 -0.000 -4.422) 7.378 4.024 ( -1.275 0.000 -0.072) 1.277 4.424 ( -0.908 0.000 4.835) 4.919 7.569 ( 0.390 -0.000 0.542) 0.667 9.467 ( -0.316 0.000 -0.668) 0.739 9.954 ( -1.968 0.000 0.598) 2.057 10.409 ( -6.141 0.000 -3.594) 7.115 15.435 ( 2.300 -0.000 -3.074) 3.839 17.675 ( 2.108 -0.000 3.046) 3.704 ======================= Grid point 701 (346/429) ======================= q-point: (-0.43 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -2.418 -0.894 3.921) 4.693 0.936 ( -5.320 -12.924 2.035) 14.123 1.068 ( 1.425 -1.221 -0.261) 1.894 1.407 ( 0.935 -3.289 -1.724) 3.829 1.803 ( -3.239 -2.872 -0.693) 4.383 1.927 ( -4.103 -6.106 -1.272) 7.466 2.327 ( 4.593 5.746 -3.067) 7.970 2.552 ( 5.077 0.884 1.439) 5.351 2.900 ( -3.500 1.462 3.352) 5.062 2.973 ( -4.122 -1.704 0.638) 4.506 3.188 ( 3.726 -6.314 -0.074) 7.332 3.339 ( -3.210 -2.057 -9.206) 9.964 3.535 ( 5.840 -1.871 -1.179) 6.244 3.991 ( -2.274 2.328 0.344) 3.272 4.363 ( 0.232 7.332 4.046) 8.378 7.761 ( 3.864 -17.806 0.751) 18.236 9.365 ( -1.478 9.207 -0.486) 9.337 9.907 ( -8.912 1.371 0.895) 9.061 10.440 ( 4.016 -3.915 -1.239) 5.744 15.403 ( 2.238 3.519 -2.591) 4.909 17.633 ( 0.082 6.308 1.767) 6.551 ======================= Grid point 702 (347/429) ======================= q-point: (-0.36 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -3.463 -5.486 2.749) 7.046 1.073 ( -2.901 -5.189 0.517) 5.968 1.201 ( -2.097 -8.554 3.511) 9.481 1.466 ( 2.869 -4.655 -1.749) 5.741 1.872 ( -8.345 -7.290 -1.198) 11.145 2.041 ( -3.206 -9.561 -1.038) 10.138 2.208 ( 2.113 7.136 -2.006) 7.708 2.572 ( 6.841 0.806 -1.150) 6.983 2.873 ( -2.923 0.880 2.455) 3.918 2.959 ( -1.532 0.971 -0.259) 1.832 3.339 ( 1.542 -4.438 -1.437) 4.913 3.370 ( -2.685 -8.115 -1.420) 8.665 3.620 ( 7.648 -3.594 -1.972) 8.677 3.931 ( -2.239 2.538 1.315) 3.631 4.234 ( 0.893 7.672 2.605) 8.151 8.184 ( 6.514 -21.566 0.022) 22.528 9.162 ( 0.939 11.030 -0.102) 11.071 9.817 ( -11.386 1.857 0.657) 11.555 10.546 ( 8.390 -2.727 1.474) 8.944 15.324 ( 1.853 5.111 -1.657) 5.683 17.468 ( -2.659 10.846 0.589) 11.183 ======================= Grid point 703 (348/429) ======================= q-point: (-0.29 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -4.790 -6.170 1.462) 7.947 1.152 ( -2.307 -3.806 0.595) 4.490 1.258 ( -3.904 -1.587 2.888) 5.109 1.662 ( 5.643 -12.277 -1.004) 13.550 1.913 ( -5.232 -1.494 0.083) 5.442 2.070 ( -8.133 0.938 -2.573) 8.581 2.259 ( 2.471 -10.033 -0.168) 10.334 2.597 ( 7.790 0.480 -2.551) 8.211 2.830 ( -3.381 2.448 0.407) 4.194 2.956 ( -1.430 -1.777 2.743) 3.567 3.390 ( -0.883 -3.073 -1.930) 3.735 3.502 ( -1.764 -5.810 -0.540) 6.096 3.735 ( 9.121 -3.975 -2.899) 10.363 3.900 ( -0.986 0.308 1.818) 2.091 4.127 ( 0.906 5.177 1.517) 5.470 8.500 ( -0.928 -7.823 -1.555) 8.030 9.041 ( 11.967 4.269 -0.087) 12.706 9.720 ( -12.353 0.323 -0.665) 12.375 10.637 ( 10.027 0.292 4.162) 10.861 15.237 ( 1.953 4.744 -0.838) 5.198 17.228 ( -5.206 12.213 -0.156) 13.278 ======================= Grid point 704 (349/429) ======================= q-point: (-0.21 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -6.725 -3.519 0.976) 7.652 1.163 ( -7.002 -2.866 -0.845) 7.613 1.343 ( 5.428 -4.930 1.752) 7.539 1.865 ( 4.606 2.003 -2.162) 5.468 1.914 ( 0.403 -8.914 2.064) 9.159 2.030 ( -11.472 -3.438 -2.068) 12.154 2.412 ( 0.026 -4.705 -0.540) 4.736 2.622 ( 7.386 0.896 -2.861) 7.971 2.771 ( -3.155 1.450 1.227) 3.683 3.032 ( -1.371 -6.122 3.101) 6.998 3.425 ( -0.748 -2.108 -2.617) 3.442 3.558 ( -1.840 -2.792 -2.345) 4.084 3.825 ( 8.599 -0.542 -2.912) 9.095 3.915 ( -1.268 -1.691 1.005) 2.340 4.075 ( 1.024 1.607 1.084) 2.192 8.471 ( -6.328 4.217 -1.338) 7.721 9.092 ( 14.354 2.607 -0.548) 14.600 9.674 ( -9.046 -3.616 -3.888) 10.489 10.684 ( 9.622 3.417 5.934) 11.810 15.171 ( 2.834 3.689 -0.479) 4.677 16.975 ( -6.513 10.836 -0.635) 12.659 ======================= Grid point 705 (350/429) ======================= q-point: (-0.14 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -6.463 -1.259 0.018) 6.584 1.211 ( -2.286 -5.581 -1.599) 6.239 1.481 ( 4.432 -5.740 0.854) 7.302 1.820 ( 0.985 2.390 -0.807) 2.708 2.018 ( -9.085 -2.609 -1.437) 9.561 2.072 ( 2.530 -5.361 -0.767) 5.978 2.429 ( -3.192 0.997 1.410) 3.629 2.629 ( 5.433 0.343 -4.889) 7.317 2.754 ( -0.808 0.605 2.440) 2.641 3.174 ( 0.222 -7.695 2.898) 8.225 3.434 ( -0.578 -0.683 -3.760) 3.865 3.587 ( -0.820 -2.641 -2.608) 3.801 3.834 ( 7.552 3.364 -1.752) 8.451 3.939 ( -2.175 -1.553 -0.193) 2.679 4.076 ( -0.082 -0.315 0.220) 0.393 8.341 ( -4.681 4.880 -0.779) 6.807 9.070 ( 6.427 5.676 -0.128) 8.576 9.698 ( -3.666 -4.611 -6.690) 8.914 10.673 ( 7.580 5.929 6.076) 11.381 15.131 ( 3.666 2.782 -0.395) 4.619 16.759 ( -6.176 7.906 -1.031) 10.086 ======================= Grid point 706 (351/429) ======================= q-point: (-0.07 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -2.491 -0.936 -0.522) 2.712 1.304 ( 0.363 -5.140 -1.506) 5.368 1.576 ( -0.776 -1.732 0.831) 2.072 1.800 ( 2.106 -0.453 -2.371) 3.203 2.002 ( -5.046 -0.807 -0.580) 5.143 2.133 ( 0.580 -1.056 -1.606) 2.008 2.393 ( -2.779 0.694 1.691) 3.326 2.642 ( 3.511 0.110 -3.425) 4.906 2.743 ( -0.644 0.344 1.410) 1.588 3.311 ( 1.763 -4.588 2.435) 5.485 3.419 ( 0.144 0.122 -3.640) 3.645 3.620 ( 0.552 -1.645 -2.319) 2.896 3.800 ( 5.906 3.794 0.289) 7.026 3.935 ( -2.011 0.788 -0.172) 2.167 4.069 ( -2.155 0.265 -0.668) 2.271 8.243 ( -2.553 3.092 -0.091) 4.010 8.995 ( 1.645 4.239 -0.153) 4.549 9.724 ( -1.811 -2.595 -6.593) 7.313 10.619 ( 4.741 5.668 5.051) 8.951 15.107 ( 3.215 2.046 -0.178) 3.815 16.610 ( -4.073 4.266 -1.236) 6.027 ======================= Grid point 715 (352/429) ======================= q-point: (-0.43 -0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -3.835 0.000 1.490) 4.115 0.741 ( -7.864 0.000 2.949) 8.399 1.084 ( 6.264 -0.000 2.640) 6.797 1.367 ( 1.494 -0.000 -1.489) 2.109 1.788 ( -12.206 0.000 -2.153) 12.395 1.793 ( -1.292 0.000 0.105) 1.296 2.392 ( 2.039 -0.000 -4.042) 4.527 2.599 ( 6.668 -0.000 -0.798) 6.716 2.908 ( -4.286 0.000 0.900) 4.380 2.938 ( -4.255 0.000 9.708) 10.599 3.145 ( 4.275 -0.000 -1.600) 4.564 3.252 ( -2.599 0.000 -12.901) 13.160 3.547 ( 5.597 -0.000 -0.876) 5.666 4.001 ( -2.901 0.000 0.980) 3.062 4.459 ( 0.912 -0.000 3.589) 3.703 7.606 ( 5.169 -0.000 0.071) 5.170 9.442 ( -3.151 0.000 -0.208) 3.157 9.848 ( -13.928 0.000 1.634) 14.024 10.452 ( 11.937 -0.000 1.720) 12.061 15.439 ( 2.499 -0.000 -3.238) 4.090 17.696 ( -1.124 0.000 0.360) 1.180 ======================= Grid point 716 (353/429) ======================= q-point: (-0.36 -0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -5.620 -1.732 2.553) 6.411 0.860 ( -7.523 -11.287 1.842) 13.689 1.161 ( 8.630 -1.639 4.159) 9.719 1.406 ( 0.644 -2.738 -1.448) 3.164 1.700 ( -12.100 -3.102 -1.839) 12.626 1.863 ( -3.887 -6.834 -0.359) 7.870 2.315 ( -3.380 5.425 -3.271) 7.180 2.622 ( 7.618 1.141 -3.576) 8.493 2.894 ( -3.223 1.088 3.734) 5.051 2.961 ( -1.313 -1.008 5.711) 5.946 3.208 ( -1.371 -5.256 -6.268) 8.294 3.247 ( 1.549 -5.221 -3.038) 6.236 3.598 ( 6.552 -2.238 -2.169) 7.256 3.968 ( -2.906 2.045 2.105) 4.130 4.399 ( 1.445 7.577 2.542) 8.121 7.836 ( 8.662 -18.793 -0.895) 20.712 9.337 ( -2.987 7.931 0.204) 8.477 9.767 ( -14.114 0.635 1.656) 14.225 10.578 ( 14.853 -2.475 5.023) 15.874 15.408 ( 2.245 3.408 -2.995) 5.062 17.616 ( -3.680 6.855 -1.083) 7.856 ======================= Grid point 717 (354/429) ======================= q-point: (-0.29 -0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -4.812 -5.434 2.253) 7.600 1.023 ( -7.584 -8.313 2.264) 11.478 1.250 ( 4.304 -0.888 4.575) 6.344 1.476 ( 0.269 -8.177 -1.767) 8.370 1.755 ( -7.695 -8.378 -1.982) 11.547 1.977 ( -6.035 -6.922 -1.087) 9.248 2.192 ( -2.427 2.090 -0.204) 3.210 2.625 ( 5.240 0.576 -5.161) 7.377 2.855 ( -3.797 2.197 2.684) 5.143 2.979 ( 2.241 1.413 4.320) 5.067 3.284 ( -2.885 -6.521 -4.404) 8.381 3.375 ( 0.891 -6.627 -0.237) 6.691 3.689 ( 7.510 -4.226 -4.409) 9.679 3.927 ( -0.710 1.682 2.882) 3.412 4.262 ( 1.349 8.150 1.038) 8.326 8.266 ( 9.292 -18.648 -3.472) 21.122 9.187 ( 3.072 6.387 -0.022) 7.087 9.662 ( -14.297 1.840 0.842) 14.439 10.731 ( 15.477 -0.805 7.595) 17.259 15.332 ( 2.100 4.707 -2.108) 5.569 17.406 ( -7.315 11.166 -1.636) 13.448 ======================= Grid point 718 (355/429) ======================= q-point: (-0.21 -0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -4.940 -5.145 1.705) 7.334 1.062 ( -9.943 -2.763 0.862) 10.356 1.323 ( 6.687 -2.459 3.517) 7.946 1.689 ( -0.907 -13.489 -1.594) 13.613 1.850 ( -2.790 -6.085 -1.909) 6.961 1.944 ( -9.245 1.991 -0.459) 9.468 2.289 ( 1.618 -8.339 0.525) 8.510 2.633 ( 2.047 -1.352 -4.120) 4.795 2.792 ( -4.270 2.742 1.610) 5.324 2.993 ( 2.666 -0.039 4.511) 5.240 3.354 ( -1.514 -3.924 -2.967) 5.147 3.470 ( -1.482 -4.423 -2.692) 5.386 3.787 ( 3.890 -4.027 -4.420) 7.134 3.931 ( 4.370 0.207 0.932) 4.473 4.145 ( 1.048 5.259 -0.039) 5.362 8.472 ( 0.389 -1.794 -3.389) 3.854 9.190 ( 12.331 -0.240 -1.899) 12.479 9.559 ( -11.265 -0.681 -1.806) 11.429 10.837 ( 13.885 2.657 8.532) 16.512 15.258 ( 3.053 4.097 -1.265) 5.264 17.131 ( -9.851 11.682 -1.498) 15.354 ======================= Grid point 719 (356/429) ======================= q-point: (-0.14 -0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -5.473 -2.507 0.406) 6.034 1.086 ( -4.570 -5.104 -0.301) 6.858 1.433 ( 6.386 -3.608 1.985) 7.599 1.826 ( -9.107 -2.089 -4.736) 10.476 1.885 ( -4.202 -3.785 2.009) 6.002 1.971 ( 3.030 -6.988 -0.674) 7.646 2.396 ( -2.140 -2.876 -0.861) 3.687 2.656 ( 2.083 0.421 -2.680) 3.421 2.747 ( -3.437 -1.001 2.867) 4.586 3.068 ( 2.938 -4.827 3.193) 6.491 3.387 ( -0.928 -2.068 -3.902) 4.513 3.513 ( -1.558 -3.258 -3.654) 5.137 3.840 ( -0.854 -2.671 -3.326) 4.350 3.954 ( 7.160 1.493 -1.954) 7.571 4.086 ( 0.442 1.598 -0.674) 1.790 8.407 ( -1.910 4.775 -1.906) 5.484 9.185 ( -0.582 4.836 -0.021) 4.870 9.584 ( 4.135 -5.147 -7.590) 10.060 10.863 ( 10.203 6.056 7.686) 14.137 15.209 ( 4.569 3.288 -0.993) 5.716 16.866 ( -10.123 9.513 -1.310) 13.953 ======================= Grid point 720 (357/429) ======================= q-point: (-0.07 -0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -0.855 -2.239 -0.734) 2.507 1.180 ( -1.201 -6.796 -1.011) 6.975 1.532 ( 1.840 -3.050 0.884) 3.670 1.780 ( -4.554 -0.738 -2.443) 5.220 1.932 ( -4.061 -3.285 0.054) 5.223 2.088 ( 1.684 -3.765 -1.927) 4.553 2.391 ( -4.817 0.162 1.385) 5.014 2.632 ( 1.858 0.448 -4.140) 4.560 2.775 ( -0.464 -0.010 3.982) 4.009 3.217 ( 3.380 -7.373 1.725) 8.293 3.392 ( -0.556 -0.977 -4.596) 4.732 3.556 ( -0.492 -3.643 -3.171) 4.855 3.859 ( -1.053 -1.660 -3.131) 3.697 3.939 ( 4.545 3.003 -2.011) 5.807 4.067 ( -0.676 0.545 -1.291) 1.556 8.304 ( -0.326 4.573 -0.905) 4.673 9.062 ( -7.605 4.828 0.394) 9.016 9.669 ( 8.918 -2.687 -8.355) 12.512 10.802 ( 5.610 8.310 5.579) 11.474 15.177 ( 5.026 3.054 -1.074) 5.978 16.662 ( -8.196 5.925 -1.190) 10.183 ======================= Grid point 730 (358/429) ======================= q-point: (-0.36 -0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -8.494 0.000 2.894) 8.974 0.700 ( -5.604 0.000 2.725) 6.232 1.228 ( 10.764 -0.000 4.551) 11.686 1.378 ( 2.120 -0.000 -1.186) 2.429 1.576 ( -18.878 0.000 -2.691) 19.069 1.774 ( -2.105 0.000 0.323) 2.130 2.323 ( -7.381 0.000 -4.279) 8.532 2.672 ( 8.919 -0.000 -6.209) 10.867 2.871 ( -3.839 0.000 2.238) 4.443 2.966 ( -6.193 0.000 9.252) 11.133 3.140 ( -0.984 0.000 -6.581) 6.654 3.186 ( 4.553 -0.000 -1.672) 4.850 3.607 ( 6.520 -0.000 -2.471) 6.973 3.979 ( -2.972 0.000 3.010) 4.230 4.502 ( 2.391 -0.000 2.255) 3.286 7.693 ( 9.413 -0.000 -0.405) 9.422 9.388 ( -5.883 0.000 0.319) 5.892 9.694 ( -13.873 0.000 2.443) 14.086 10.687 ( 19.585 -0.000 9.405) 21.726 15.442 ( 2.518 -0.000 -3.529) 4.335 17.647 ( -5.364 0.000 -3.513) 6.412 ======================= Grid point 731 (359/429) ======================= q-point: (-0.29 -0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( -5.639 -2.741 4.344) 7.627 0.797 ( -6.533 -10.944 3.314) 13.169 1.310 ( 9.459 0.372 4.629) 10.538 1.366 ( -8.078 -0.435 -2.072) 8.350 1.540 ( -7.355 -8.356 -2.151) 11.338 1.821 ( -3.505 -5.723 0.266) 6.716 2.208 ( -9.425 3.479 -2.400) 10.329 2.654 ( 3.784 2.255 -7.124) 8.376 2.884 ( -3.348 1.300 3.853) 5.267 3.005 ( -0.855 -4.993 4.972) 7.098 3.127 ( -0.751 -2.620 -4.058) 4.889 3.271 ( 2.251 -5.463 -0.656) 5.945 3.654 ( 6.710 -2.080 -3.729) 7.953 3.964 ( -1.302 1.321 3.607) 4.056 4.438 ( 2.488 8.333 1.339) 8.799 7.953 ( 13.079 -18.917 -2.667) 23.152 9.296 ( -4.460 5.139 0.546) 6.826 9.613 ( -13.608 1.187 1.867) 13.787 10.869 ( 21.887 -0.397 12.563) 25.240 15.411 ( 2.510 3.263 -2.918) 5.046 17.517 ( -9.305 7.184 -4.724) 12.670 ======================= Grid point 732 (360/429) ======================= q-point: (-0.21 -0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -3.988 -5.086 4.229) 7.724 0.934 ( -9.970 -5.840 2.507) 11.824 1.344 ( 2.065 -2.721 4.253) 5.455 1.433 ( -2.367 -8.807 -1.940) 9.324 1.686 ( -0.327 -9.135 -2.494) 9.475 1.884 ( -8.257 -2.792 0.176) 8.718 2.161 ( -3.334 -4.987 1.205) 6.118 2.603 ( -1.389 0.720 -6.129) 6.325 2.828 ( -4.686 2.963 3.160) 6.382 3.061 ( 4.497 1.928 4.647) 6.748 3.223 ( -1.475 -8.012 -3.834) 9.004 3.370 ( 0.120 -4.723 -2.319) 5.263 3.724 ( 4.276 -3.189 -4.323) 6.866 3.961 ( 2.719 0.340 1.637) 3.191 4.285 ( 2.104 8.979 -0.189) 9.224 8.354 ( 11.529 -13.368 -5.686) 18.546 9.227 ( 3.796 0.155 -1.241) 3.997 9.501 ( -12.850 2.181 0.613) 13.048 11.029 ( 20.208 2.943 12.502) 23.944 15.348 ( 3.344 4.126 -1.515) 5.523 17.259 ( -13.463 10.589 -3.805) 17.546 ======================= Grid point 733 (361/429) ======================= q-point: (-0.14 -0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -4.567 -3.489 2.224) 6.163 0.965 ( -7.134 -4.677 1.582) 8.676 1.439 ( 7.654 -1.649 2.909) 8.352 1.594 ( -10.175 -11.574 -2.999) 15.699 1.830 ( -0.103 -5.562 -3.668) 6.663 1.863 ( -3.993 -3.047 3.364) 6.046 2.296 ( -0.993 -6.961 -0.096) 7.032 2.589 ( -4.131 -4.040 -2.394) 6.254 2.755 ( -4.361 2.868 2.103) 5.627 3.073 ( 4.539 0.708 3.203) 5.600 3.315 ( -0.455 -4.048 -3.356) 5.278 3.426 ( -1.023 -3.362 -4.209) 5.483 3.774 ( -0.293 -2.426 -3.036) 3.898 3.991 ( 5.610 -0.621 -2.850) 6.323 4.155 ( 2.067 5.899 -1.785) 6.501 8.467 ( 3.455 1.821 -3.450) 5.212 9.241 ( -5.262 3.176 -0.129) 6.147 9.483 ( 6.985 -6.510 -6.936) 11.802 11.090 ( 14.779 6.969 10.209) 19.267 15.298 ( 5.375 3.578 -0.731) 6.498 16.967 ( -14.634 9.998 -2.368) 17.880 ======================= Grid point 734 (362/429) ======================= q-point: (-0.07 -0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -0.560 -3.383 0.052) 3.430 1.047 ( -2.209 -6.314 0.554) 6.712 1.507 ( 2.023 -1.369 0.536) 2.501 1.673 ( -8.026 -5.536 -2.871) 10.164 1.854 ( -3.915 -2.867 1.184) 4.995 2.000 ( 2.841 -6.443 -1.416) 7.182 2.343 ( -5.105 -1.841 -1.229) 5.564 2.646 ( -0.498 -0.085 -1.076) 1.188 2.732 ( -3.614 -4.155 3.657) 6.611 3.136 ( 4.537 -3.866 1.164) 6.074 3.348 ( 0.233 -1.647 -4.198) 4.515 3.465 ( -0.931 -3.818 -4.273) 5.806 3.790 ( -2.992 -1.950 -2.541) 4.383 4.008 ( 5.547 0.989 -5.321) 7.750 4.078 ( 0.819 2.684 -2.660) 3.867 8.396 ( 2.484 5.179 -1.610) 5.965 9.093 ( -12.566 5.264 0.932) 13.656 9.641 ( 14.798 -4.885 -10.319) 18.690 11.036 ( 8.186 9.994 7.174) 14.777 15.269 ( 6.664 3.514 -1.056) 7.607 16.715 ( -12.736 7.165 -1.454) 14.685 ======================= Grid point 745 (363/429) ======================= q-point: (-0.29 -0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( -4.336 0.000 7.308) 8.497 0.653 ( -6.583 0.000 4.324) 7.876 1.288 ( -18.752 0.000 -4.308) 19.241 1.399 ( 2.629 -0.000 -0.747) 2.733 1.407 ( 7.402 -0.000 4.725) 8.781 1.749 ( -2.539 0.000 0.513) 2.590 2.167 ( -12.340 0.000 -3.745) 12.896 2.681 ( 3.368 -0.000 -11.446) 11.931 2.853 ( -2.941 0.000 3.412) 4.505 2.914 ( -8.340 0.000 3.187) 8.928 3.147 ( 0.916 -0.000 5.244) 5.323 3.224 ( 3.962 -0.000 -2.015) 4.445 3.663 ( 6.290 -0.000 -2.917) 6.933 3.986 ( -0.323 0.000 3.762) 3.776 4.554 ( 4.155 -0.000 1.205) 4.326 7.824 ( 12.935 -0.000 -0.622) 12.950 9.306 ( -8.518 0.000 0.735) 8.549 9.554 ( -12.263 0.000 1.904) 12.410 11.081 ( 28.222 -0.000 17.041) 32.968 15.448 ( 3.032 -0.000 -2.850) 4.161 17.496 ( -12.548 0.000 -7.872) 14.813 ======================= Grid point 746 (364/429) ======================= q-point: (-0.21 -0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( -3.769 -2.575 8.016) 9.225 0.751 ( -6.578 -9.048 4.653) 12.116 1.172 ( -17.496 -4.176 -1.998) 18.098 1.449 ( 7.722 0.319 2.331) 8.072 1.517 ( 3.462 -7.606 -0.836) 8.398 1.779 ( -4.357 -3.812 0.869) 5.854 2.071 ( -10.504 -0.725 -0.708) 10.553 2.593 ( -3.292 2.747 -8.095) 9.160 2.858 ( -6.485 2.077 3.489) 7.651 3.002 ( 0.221 -11.936 -1.385) 12.018 3.152 ( 2.278 1.999 4.328) 5.284 3.282 ( 1.486 -3.944 -2.083) 4.702 3.697 ( 4.528 -1.115 -2.549) 5.315 3.994 ( 1.997 0.829 2.343) 3.188 4.484 ( 4.078 9.586 0.554) 10.432 8.106 ( 16.624 -18.236 -4.073) 25.010 9.235 ( -6.513 1.408 0.394) 6.675 9.472 ( -11.674 1.896 1.215) 11.889 11.300 ( 29.155 3.802 16.707) 33.817 15.431 ( 3.970 2.841 -1.222) 5.032 17.307 ( -17.464 6.599 -7.441) 20.098 ======================= Grid point 747 (365/429) ======================= q-point: (-0.14 -0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -4.030 -3.286 5.566) 7.617 0.834 ( -9.456 -5.186 3.218) 11.255 1.278 ( -9.510 -14.149 -0.401) 17.053 1.492 ( 7.148 0.461 1.586) 7.337 1.686 ( 2.876 -8.324 -2.911) 9.276 1.801 ( -6.814 -2.118 3.171) 7.809 2.130 ( -3.653 -9.164 1.345) 9.956 2.503 ( -6.914 0.208 -5.420) 8.787 2.788 ( -6.166 2.640 3.046) 7.366 3.141 ( 2.609 2.262 2.779) 4.432 3.195 ( 1.819 -8.141 -2.822) 8.806 3.345 ( 0.205 -3.479 -3.942) 5.262 3.730 ( 1.358 -1.363 -2.166) 2.897 4.001 ( 3.232 0.332 -1.251) 3.482 4.313 ( 3.549 10.117 -1.418) 10.815 8.454 ( 12.632 -7.648 -5.770) 15.854 9.226 ( -4.172 -1.782 -1.205) 4.694 9.390 ( -2.610 -1.956 -2.592) 4.166 11.394 ( 21.904 9.332 12.652) 26.962 15.399 ( 6.375 3.525 0.532) 7.304 17.024 ( -19.595 8.472 -4.317) 21.780 ======================= Grid point 748 (366/429) ======================= q-point: (-0.07 -0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -2.138 -3.724 2.024) 4.747 0.919 ( -3.935 -6.599 2.986) 8.243 1.431 ( -10.452 -7.478 -3.687) 13.370 1.553 ( 6.499 -2.632 2.229) 7.358 1.776 ( -4.585 -3.196 0.221) 5.593 1.886 ( 2.604 -7.205 0.625) 7.687 2.256 ( -4.624 -4.269 -1.655) 6.507 2.517 ( -5.521 -8.595 0.256) 10.219 2.718 ( -4.687 2.270 2.150) 5.634 3.135 ( 2.600 0.397 0.662) 2.712 3.297 ( 1.836 -3.421 -2.894) 4.842 3.382 ( 0.015 -2.731 -4.809) 5.530 3.742 ( -1.459 -0.847 -1.940) 2.571 4.006 ( 1.783 -0.186 -4.383) 4.735 4.168 ( 3.731 6.681 -4.209) 8.733 8.502 ( 6.224 3.871 -2.397) 7.711 9.118 ( -12.881 5.208 1.108) 13.938 9.556 ( 14.131 -9.674 -11.031) 20.371 11.334 ( 12.055 12.496 8.777) 19.455 15.380 ( 8.464 3.888 0.365) 9.322 16.752 ( -17.458 7.162 -2.025) 18.979 ======================= Grid point 760 (367/429) ======================= q-point: (-0.21 -0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -6.319 0.000 5.836) 8.602 0.658 ( -2.203 0.000 11.207) 11.421 1.008 ( -20.272 0.000 -1.778) 20.350 1.430 ( 3.043 -0.000 -0.173) 3.048 1.542 ( 8.349 -0.000 2.188) 8.631 1.722 ( -2.694 0.000 0.568) 2.753 1.987 ( -13.153 0.000 -1.017) 13.192 2.572 ( -4.981 0.000 -11.679) 12.697 2.849 ( -6.827 0.000 3.171) 7.528 2.854 ( -2.131 0.000 4.418) 4.905 3.206 ( 1.314 -0.000 5.105) 5.272 3.247 ( 2.960 -0.000 -2.771) 4.054 3.707 ( 3.508 -0.000 -0.996) 3.647 4.027 ( 2.859 -0.000 1.846) 3.403 4.627 ( 6.867 -0.000 0.436) 6.881 7.992 ( 15.534 -0.000 -0.486) 15.541 9.195 ( -11.001 0.000 0.912) 11.039 9.430 ( -10.249 0.000 0.953) 10.293 11.615 ( 35.691 -0.000 16.291) 39.233 15.482 ( 5.203 -0.000 0.168) 5.206 17.216 ( -22.036 0.000 -9.180) 23.872 ======================= Grid point 761 (368/429) ======================= q-point: (-0.14 -0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -6.442 -3.215 6.213) 9.510 0.710 ( -7.374 -3.555 7.357) 11.006 0.985 ( -10.851 -9.666 1.756) 14.638 1.513 ( 3.190 -4.590 -0.318) 5.598 1.593 ( 7.028 -1.570 0.489) 7.218 1.736 ( -4.249 -2.272 2.430) 5.396 1.958 ( -8.183 -5.427 0.985) 9.868 2.458 ( -7.888 2.207 -7.793) 11.305 2.796 ( -7.468 1.563 3.065) 8.222 3.003 ( 0.351 -11.222 0.166) 11.229 3.213 ( 2.389 1.809 2.851) 4.136 3.277 ( 1.396 -2.457 -3.437) 4.449 3.723 ( 1.779 -0.143 -0.399) 1.829 4.036 ( 2.923 1.361 0.091) 3.225 4.547 ( 5.957 11.550 -0.124) 12.996 8.284 ( 18.466 -16.721 -4.568) 25.327 9.140 ( -9.721 -1.772 0.167) 9.883 9.357 ( -8.003 1.505 0.027) 8.143 11.786 ( 29.845 9.866 11.030) 33.313 15.503 ( 7.855 2.279 2.547) 8.566 16.994 ( -24.177 4.570 -5.840) 25.289 ======================= Grid point 762 (369/429) ======================= q-point: (-0.07 -0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( -6.296 -3.721 3.231) 7.995 0.794 ( -3.795 -5.637 6.756) 9.582 1.168 ( -7.945 -12.699 -0.283) 14.983 1.574 ( 4.705 -0.977 -0.218) 4.810 1.700 ( 1.863 -3.732 0.369) 4.187 1.784 ( -0.871 -4.949 3.388) 6.061 2.090 ( -4.404 -10.445 0.633) 11.353 2.365 ( -8.632 -1.617 -4.418) 9.831 2.733 ( -6.483 1.845 2.804) 7.300 3.154 ( -0.876 -2.109 0.273) 2.300 3.224 ( 4.287 -3.119 -1.784) 5.594 3.317 ( 0.871 -2.824 -4.516) 5.397 3.727 ( 0.087 0.167 -0.563) 0.594 4.015 ( 1.596 1.800 -2.249) 3.294 4.343 ( 3.748 11.784 -2.730) 12.663 8.564 ( 12.156 -2.890 -4.035) 13.130 9.119 ( -11.055 1.161 0.415) 11.124 9.380 ( 5.668 -10.061 -7.693) 13.876 11.715 ( 16.185 15.782 7.610) 23.853 15.515 ( 10.412 3.811 2.839) 11.445 16.744 ( -21.129 5.443 -2.146) 21.924 ======================= Grid point 775 (370/429) ======================= q-point: (-0.14 -0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( -4.843 0.000 6.538) 8.137 0.640 ( -13.746 0.000 4.547) 14.479 0.876 ( -4.262 0.000 9.404) 10.325 1.470 ( 3.353 -0.000 0.445) 3.382 1.631 ( 4.254 -0.000 0.877) 4.344 1.693 ( -2.740 0.000 0.428) 2.773 1.863 ( -7.656 0.000 2.633) 8.096 2.402 ( -8.194 0.000 -9.366) 12.444 2.794 ( -6.153 0.000 2.702) 6.720 2.871 ( -1.565 0.000 5.282) 5.509 3.250 ( 1.958 -0.000 -3.798) 4.273 3.253 ( 1.387 -0.000 2.049) 2.475 3.733 ( 1.297 -0.000 0.385) 1.353 4.070 ( 2.465 -0.000 0.300) 2.483 4.723 ( 8.555 -0.000 -0.382) 8.564 8.186 ( 16.901 -0.000 -0.115) 16.901 9.056 ( -13.101 0.000 0.816) 13.127 9.327 ( -7.488 0.000 0.259) 7.493 12.110 ( 29.186 -0.000 3.461) 29.390 15.595 ( 10.338 -0.000 4.934) 11.455 16.861 ( -25.378 0.000 -3.922) 25.679 ======================= Grid point 776 (371/429) ======================= q-point: (-0.07 -0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -8.962 -2.728 3.724) 10.081 0.711 ( -3.943 -6.827 7.932) 11.184 0.941 ( -3.818 -5.914 6.254) 9.416 1.546 ( 2.357 -3.801 0.365) 4.488 1.661 ( 3.931 -2.586 -0.533) 4.735 1.731 ( -0.697 -3.151 4.192) 5.291 1.886 ( -5.762 -6.284 1.345) 8.631 2.299 ( -7.687 1.474 -6.929) 10.454 2.737 ( -6.077 1.887 3.107) 7.081 3.009 ( -0.501 -9.963 1.609) 10.105 3.250 ( 1.722 1.426 0.123) 2.239 3.262 ( 1.325 -1.743 -4.358) 4.878 3.737 ( 0.724 0.459 0.346) 0.924 4.062 ( 1.520 2.161 -0.319) 2.661 4.616 ( 5.342 14.170 -0.657) 15.158 8.473 ( 18.400 -14.482 -3.884) 23.735 9.005 ( -12.730 -3.460 0.091) 13.192 9.279 ( -4.295 -0.083 -1.302) 4.489 12.121 ( 16.171 13.585 0.543) 21.127 15.662 ( 12.130 2.641 5.282) 13.491 16.684 ( -20.579 2.695 -0.474) 20.760 ======================= Grid point 790 (372/429) ======================= q-point: (-0.07 -0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( -8.373 0.000 4.336) 9.429 0.603 ( -2.750 0.000 6.040) 6.636 0.945 ( -0.839 0.000 11.984) 12.013 1.517 ( 3.457 -0.000 0.903) 3.573 1.662 ( -2.715 0.000 0.125) 2.718 1.663 ( -0.206 0.000 0.557) 0.594 1.838 ( -1.638 0.000 3.780) 4.120 2.249 ( -4.893 0.000 -7.720) 9.140 2.749 ( -4.360 0.000 2.324) 4.940 2.900 ( -1.166 0.000 6.014) 6.126 3.234 ( 1.217 -0.000 -4.833) 4.983 3.271 ( 0.701 -0.000 -0.489) 0.855 3.750 ( 1.226 -0.000 0.286) 1.259 4.092 ( 0.850 -0.000 0.511) 0.991 4.808 ( 5.525 -0.000 -0.762) 5.577 8.389 ( 15.952 -0.000 0.225) 15.954 8.897 ( -13.669 0.000 0.553) 13.680 9.255 ( -4.396 0.000 -0.107) 4.397 12.320 ( 7.674 -0.000 -5.359) 9.360 15.784 ( 11.413 -0.000 5.711) 12.762 16.608 ( -13.014 0.000 1.765) 13.133 ======================= Grid point 791 (373/429) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( -0.000 0.000 0.000) 0.000 0.669 ( 0.000 -0.000 0.000) 0.000 1.139 ( -0.000 0.000 0.000) 0.000 1.572 ( 0.000 -0.000 0.000) 0.000 1.623 ( 0.000 -0.000 0.000) 0.000 1.632 ( -0.000 0.000 0.000) 0.000 1.996 ( -0.000 0.000 -0.000) 0.000 2.019 ( 0.000 -0.000 0.000) 0.000 2.754 ( -0.000 0.000 0.000) 0.000 3.045 ( 0.000 -0.000 0.000) 0.000 3.107 ( 0.000 -0.000 0.000) 0.000 3.256 ( 0.000 -0.000 0.000) 0.000 3.763 ( -0.000 0.000 0.000) 0.000 4.109 ( -0.000 0.000 0.000) 0.000 4.830 ( 0.000 -0.000 0.000) 0.000 8.525 ( -0.000 0.000 0.000) 0.000 8.788 ( 0.000 -0.000 0.000) 0.000 9.222 ( -0.000 0.000 0.000) 0.000 12.255 ( -0.000 0.000 0.000) 0.000 15.941 ( 0.000 -0.000 0.000) 0.000 16.581 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 793 (374/429) ======================= q-point: ( 0.07 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 1.609 -4.076 -1.051) 4.507 0.790 ( 1.745 -11.080 -0.743) 11.241 1.063 ( -1.051 5.017 -1.631) 5.379 1.566 ( -0.040 0.161 0.534) 0.560 1.661 ( -1.811 -4.090 0.963) 4.576 1.791 ( 1.709 -13.497 0.130) 13.606 1.962 ( -0.328 0.740 -7.960) 8.001 2.046 ( 3.409 0.131 7.191) 7.959 2.740 ( 2.150 1.837 -0.341) 2.848 3.087 ( 0.646 -4.604 -2.729) 5.391 3.145 ( -0.671 -2.910 3.086) 4.294 3.246 ( 0.718 1.293 -0.049) 1.480 3.754 ( 0.474 0.970 -0.552) 1.213 4.074 ( -0.768 3.426 -0.000) 3.511 4.644 ( -2.594 16.933 0.484) 17.138 8.631 ( -16.179 -11.527 0.475) 19.871 8.843 ( 14.534 -3.290 -0.288) 14.904 9.209 ( 1.529 1.495 0.558) 2.210 12.156 ( -4.015 9.528 2.068) 10.544 15.883 ( -4.817 4.381 -1.335) 6.647 16.559 ( 6.568 3.714 -1.223) 7.644 ======================= Grid point 794 (375/429) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 0.962 -6.550 -1.558) 6.801 0.955 ( 0.341 -1.450 -5.646) 5.839 1.051 ( 4.145 -7.463 3.353) 9.172 1.576 ( -1.047 -1.402 1.603) 2.372 1.735 ( -3.494 -3.979 1.168) 5.422 1.925 ( 1.724 -0.493 -7.180) 7.401 2.011 ( 3.913 -4.930 2.245) 6.682 2.183 ( 3.500 -12.807 3.124) 13.639 2.722 ( 3.990 1.777 -0.748) 4.431 3.156 ( 1.787 -0.353 -0.716) 1.957 3.205 ( -0.832 -3.204 1.516) 3.641 3.240 ( -0.370 -1.913 0.519) 2.016 3.730 ( 0.245 1.748 -0.461) 1.825 3.987 ( -1.432 4.979 0.846) 5.250 4.303 ( -2.589 16.268 1.989) 16.592 8.648 ( -12.531 -0.777 1.185) 12.611 9.010 ( 11.171 -0.604 -1.064) 11.237 9.255 ( -0.997 -8.094 2.714) 8.595 11.897 ( -6.691 14.986 1.354) 16.468 15.722 ( -8.696 7.435 -1.768) 11.577 16.533 ( 12.313 4.553 -0.889) 13.158 ======================= Grid point 795 (376/429) ======================= q-point: ( 0.21 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -1.597 -5.812 -1.665) 6.253 0.971 ( 0.703 -3.044 -2.259) 3.855 1.224 ( 8.090 -4.624 2.817) 9.735 1.622 ( -3.287 -3.854 1.360) 5.245 1.753 ( 0.926 -0.232 -0.219) 0.980 1.956 ( 0.525 -3.413 -3.302) 4.778 2.119 ( 5.920 -4.116 2.330) 7.577 2.483 ( 1.883 -14.997 0.352) 15.119 2.712 ( 4.415 1.788 -1.183) 4.908 3.129 ( 1.590 2.150 0.286) 2.689 3.275 ( -0.532 -3.765 1.836) 4.222 3.286 ( -1.643 -2.232 0.526) 2.821 3.694 ( -0.891 1.540 1.000) 2.041 3.911 ( -0.244 2.723 2.552) 3.740 4.075 ( -1.482 8.513 3.465) 9.310 8.553 ( -9.499 3.769 0.949) 10.263 9.003 ( 12.057 5.895 -1.334) 13.487 9.441 ( -6.955 -10.285 5.045) 13.402 11.564 ( -6.937 16.414 -0.387) 17.824 15.516 ( -9.468 7.923 -0.687) 12.365 16.531 ( 13.898 4.223 -0.080) 14.526 ======================= Grid point 796 (377/429) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -4.385 -3.891 -1.233) 5.991 1.045 ( 0.118 -4.851 0.127) 4.854 1.362 ( 9.182 -3.704 3.232) 10.415 1.664 ( -1.377 -2.811 -0.510) 3.172 1.808 ( 4.198 -3.335 0.413) 5.377 2.007 ( -0.497 -2.929 -0.404) 2.998 2.245 ( 4.478 -4.790 0.941) 6.624 2.646 ( -0.249 0.693 -0.694) 1.012 2.770 ( 3.817 -8.383 -1.741) 9.374 3.133 ( 0.161 -1.754 1.685) 2.437 3.295 ( -2.438 -0.464 1.517) 2.909 3.360 ( 0.825 -4.448 1.705) 4.835 3.692 ( -0.191 -1.170 2.709) 2.957 3.904 ( 0.321 -0.006 3.421) 3.436 3.976 ( -0.599 3.704 3.981) 5.471 8.422 ( -7.472 4.823 0.816) 8.931 8.964 ( 13.575 5.852 -1.285) 14.838 9.566 ( -11.035 -7.125 5.561) 14.264 11.224 ( -5.085 15.978 -0.765) 16.785 15.328 ( -7.867 6.571 1.008) 10.300 16.538 ( 11.835 3.587 0.191) 12.368 ======================= Grid point 797 (378/429) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -4.601 -2.836 -0.372) 5.417 1.154 ( -0.150 -6.844 0.600) 6.872 1.478 ( 6.401 -2.337 2.020) 7.108 1.730 ( 1.424 -4.122 -1.030) 4.481 1.893 ( 2.583 -3.257 0.357) 4.172 2.058 ( -0.397 -2.681 0.707) 2.801 2.344 ( 3.814 -2.863 0.521) 4.797 2.599 ( -1.808 2.098 0.092) 2.771 2.879 ( 1.536 -1.272 -3.682) 4.188 3.208 ( -0.972 -5.522 3.420) 6.567 3.310 ( -0.908 -1.974 1.432) 2.603 3.462 ( 1.986 -4.571 2.508) 5.580 3.753 ( 0.242 -3.701 3.228) 4.917 3.892 ( -1.180 2.503 2.868) 3.985 3.979 ( 1.031 -1.578 3.264) 3.769 8.306 ( -5.040 3.875 0.845) 6.413 8.946 ( 13.083 4.441 -0.841) 13.842 9.626 ( -12.439 -5.329 3.843) 14.068 10.924 ( -2.282 13.721 0.208) 13.911 15.193 ( -5.269 4.439 2.012) 7.177 16.542 ( 8.097 2.639 0.041) 8.516 ======================= Grid point 798 (379/429) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -2.699 -1.443 0.004) 3.061 1.283 ( -0.052 -6.198 0.247) 6.203 1.545 ( 3.876 -1.069 0.803) 4.100 1.786 ( -0.052 -1.664 -1.011) 1.948 1.960 ( 0.911 -2.490 0.396) 2.681 2.096 ( -0.266 -1.341 0.403) 1.425 2.396 ( 3.492 -0.253 -0.639) 3.559 2.581 ( -2.063 -1.500 2.256) 3.406 2.828 ( -0.422 4.157 -3.411) 5.393 3.319 ( 0.115 -4.075 3.223) 5.197 3.361 ( 0.009 -3.161 -0.180) 3.166 3.559 ( 1.622 -3.404 2.204) 4.368 3.816 ( -3.018 -0.371 2.514) 3.945 3.869 ( 2.741 -0.731 1.784) 3.351 4.022 ( -0.084 -1.236 1.177) 1.709 8.231 ( -2.454 2.087 0.610) 3.278 8.948 ( 8.620 2.397 -0.269) 8.951 9.650 ( -9.062 -3.418 1.390) 9.784 10.712 ( -0.192 8.357 0.862) 8.403 15.117 ( -2.556 2.173 1.590) 3.713 16.540 ( 4.000 1.416 -0.083) 4.244 ======================= Grid point 799 (380/429) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 394 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -0.000 0.000 0.000) 0.000 1.347 ( 0.000 0.000 0.000) 0.000 1.569 ( 0.000 0.000 0.000) 0.000 1.795 ( -0.000 0.000 0.000) 0.000 1.987 ( -0.000 0.000 0.000) 0.000 2.108 ( -0.000 0.000 0.000) 0.000 2.402 ( -0.000 0.000 0.000) 0.000 2.617 ( 0.000 0.000 0.000) 0.000 2.758 ( -0.000 0.000 0.000) 0.000 3.362 ( -0.000 0.000 0.000) 0.000 3.399 ( 0.000 0.000 0.000) 0.000 3.605 ( 0.000 0.000 -0.000) 0.000 3.798 ( -0.000 0.000 0.000) 0.000 3.907 ( -0.000 0.000 -0.000) 0.000 4.032 ( 0.000 0.000 0.000) 0.000 8.206 ( 0.000 0.000 0.000) 0.000 8.952 ( 0.000 0.000 0.000) 0.000 9.657 ( -0.000 0.000 -0.000) 0.000 10.634 ( -0.000 0.000 0.000) 0.000 15.093 ( -0.000 0.000 0.000) 0.000 16.539 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 808 (381/429) ======================= q-point: ( 0.07 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 6.472 -0.000 -1.674) 6.685 0.672 ( 1.460 -0.000 -1.334) 1.978 1.103 ( -2.304 0.000 -3.951) 4.573 1.541 ( -2.955 0.000 -1.421) 3.279 1.643 ( -0.074 0.000 2.892) 2.893 1.658 ( 2.743 -0.000 0.590) 2.805 1.943 ( 1.341 -0.000 -7.511) 7.630 2.103 ( 4.705 -0.000 7.119) 8.534 2.777 ( 3.759 -0.000 -0.355) 3.776 3.021 ( 0.898 -0.000 -5.849) 5.918 3.130 ( -0.754 0.000 5.391) 5.443 3.266 ( 1.600 -0.000 -0.084) 1.602 3.764 ( 0.823 -0.000 -1.274) 1.517 4.100 ( -1.453 0.000 -0.223) 1.470 4.794 ( -6.119 0.000 0.610) 6.150 8.396 ( -15.906 0.000 -0.493) 15.913 8.902 ( 13.707 -0.000 0.087) 13.707 9.247 ( 3.640 -0.000 0.744) 3.715 12.223 ( -9.154 0.000 4.729) 10.303 15.876 ( -8.170 0.000 -3.379) 8.842 16.644 ( 11.871 -0.000 -2.073) 12.051 ======================= Grid point 809 (382/429) ======================= q-point: ( 0.14 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 6.395 -2.399 -1.812) 7.067 0.814 ( 4.202 -10.733 -2.847) 11.873 1.030 ( -0.739 2.307 -2.518) 3.494 1.560 ( -1.340 -1.680 -0.534) 2.214 1.637 ( -4.185 -2.580 2.037) 5.321 1.807 ( 1.240 -10.577 -2.479) 10.934 1.930 ( 4.443 -0.931 -4.713) 6.544 2.163 ( 6.647 -0.097 6.944) 9.613 2.781 ( 5.287 1.766 -1.027) 5.668 3.067 ( 0.804 -5.881 -4.060) 7.191 3.169 ( -1.000 -2.192 4.957) 5.511 3.260 ( 2.023 1.760 -0.795) 2.797 3.754 ( 0.617 0.942 -1.530) 1.899 4.057 ( -2.203 3.233 0.201) 3.917 4.594 ( -6.541 15.240 1.402) 16.643 8.427 ( -18.028 -11.359 1.096) 21.336 9.011 ( 13.237 -3.178 -0.420) 13.620 9.255 ( 4.970 2.098 1.212) 5.529 12.080 ( -13.529 9.509 3.923) 16.995 15.761 ( -10.403 4.277 -4.553) 12.135 16.692 ( 16.564 3.138 -1.112) 16.895 ======================= Grid point 810 (383/429) ======================= q-point: ( 0.21 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 6.156 -4.001 -1.732) 7.543 0.913 ( 0.213 -2.083 -5.260) 5.661 1.145 ( 7.412 -10.129 2.234) 12.749 1.562 ( -3.329 -0.720 1.126) 3.587 1.692 ( -4.487 -4.760 0.833) 6.594 1.893 ( 3.139 -2.582 -7.525) 8.553 2.080 ( 4.389 -7.929 1.583) 9.200 2.278 ( 6.556 -6.998 4.692) 10.675 2.777 ( 6.108 2.055 -1.408) 6.596 3.167 ( 1.264 -3.520 -1.536) 4.043 3.218 ( 1.247 0.384 0.984) 1.634 3.237 ( -1.560 -2.084 1.930) 3.241 3.723 ( -1.112 1.809 -0.294) 2.143 3.977 ( -1.773 3.745 1.735) 4.492 4.283 ( -4.095 13.956 3.249) 14.903 8.497 ( -14.486 -4.746 2.613) 15.466 9.140 ( 11.028 -0.622 -1.365) 11.130 9.273 ( 0.375 -3.202 3.621) 4.848 11.779 ( -14.461 13.698 0.158) 19.919 15.579 ( -10.573 6.340 -3.388) 12.785 16.720 ( 18.127 5.133 0.453) 18.845 ======================= Grid point 811 (384/429) ======================= q-point: ( 0.29 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 3.379 -2.223 -2.501) 4.756 0.964 ( 0.962 -4.315 -1.484) 4.664 1.361 ( 9.893 -5.320 3.512) 11.769 1.576 ( -4.543 -3.768 -0.434) 5.918 1.764 ( 0.116 -4.490 1.138) 4.634 1.940 ( 2.010 -3.136 -4.360) 5.735 2.209 ( 4.975 -3.452 2.671) 6.618 2.516 ( 2.767 -12.144 0.739) 12.477 2.759 ( 5.267 2.703 -2.010) 6.252 3.146 ( 1.069 2.324 -0.668) 2.644 3.266 ( -1.511 -2.686 0.108) 3.084 3.296 ( 0.145 -3.282 3.873) 5.079 3.692 ( -1.929 0.322 2.923) 3.517 3.933 ( -0.106 1.420 2.972) 3.295 4.084 ( -2.187 7.473 4.238) 8.865 8.454 ( -8.713 2.104 2.275) 9.247 9.146 ( 13.077 5.311 -1.609) 14.206 9.388 ( -8.862 -7.653 6.245) 13.270 11.439 ( -12.059 13.497 -2.376) 18.254 15.393 ( -9.202 6.091 -0.857) 11.069 16.721 ( 16.143 6.364 1.105) 17.387 ======================= Grid point 812 (385/429) ======================= q-point: ( 0.36 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 1.815 -1.744 -1.551) 2.956 1.050 ( 0.605 -4.842 0.370) 4.894 1.476 ( 2.895 -2.072 3.286) 4.844 1.657 ( 3.712 -5.139 -1.019) 6.421 1.859 ( 3.119 -3.621 0.772) 4.841 1.994 ( -0.953 -3.622 -0.568) 3.788 2.310 ( 3.987 -3.501 1.803) 5.604 2.639 ( -0.290 1.277 -0.257) 1.335 2.800 ( 4.075 -5.953 -3.125) 7.862 3.136 ( -1.745 -1.784 0.981) 2.682 3.288 ( -0.532 -0.997 1.863) 2.179 3.393 ( 1.578 -4.763 2.915) 5.803 3.718 ( -0.662 -2.012 4.671) 5.129 3.927 ( -1.103 1.005 2.913) 3.273 4.005 ( -0.075 2.240 4.454) 4.986 8.361 ( -4.205 4.113 1.869) 6.172 9.115 ( 12.005 5.683 -1.151) 13.332 9.474 ( -11.352 -5.742 6.704) 14.380 11.130 ( -8.475 12.211 -2.515) 15.075 15.245 ( -7.097 4.627 1.273) 8.567 16.692 ( 12.306 6.491 0.942) 13.945 ======================= Grid point 813 (386/429) ======================= q-point: ( 0.43 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 2.221 -1.694 -0.559) 2.848 1.161 ( 0.353 -6.486 0.963) 6.567 1.531 ( -0.539 -2.682 1.216) 2.994 1.753 ( 3.780 -2.035 -0.198) 4.297 1.934 ( 3.854 -2.433 0.165) 4.561 2.055 ( -1.456 -3.230 1.537) 3.862 2.395 ( 3.378 -2.454 1.045) 4.304 2.586 ( -0.920 2.557 0.445) 2.754 2.856 ( -0.002 0.353 -4.282) 4.296 3.217 ( -1.348 -6.908 2.045) 7.329 3.324 ( 1.083 -1.697 1.948) 2.801 3.501 ( 1.466 -4.576 2.334) 5.342 3.779 ( -1.724 -2.512 4.703) 5.604 3.902 ( 0.105 1.427 1.716) 2.234 4.017 ( 0.590 -0.535 3.601) 3.688 8.280 ( -0.713 3.648 1.508) 4.011 9.067 ( 5.854 5.330 -0.036) 7.917 9.536 ( -6.527 -4.876 5.011) 9.565 10.872 ( -5.382 10.194 -1.654) 11.645 15.147 ( -4.800 2.856 1.906) 5.902 16.644 ( 8.032 5.606 0.637) 9.816 ======================= Grid point 814 (387/429) ======================= q-point: ( 0.50 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 3.978 -0.927 -0.414) 4.105 1.281 ( -0.879 -5.554 0.812) 5.682 1.579 ( 0.697 -1.501 0.665) 1.784 1.774 ( -1.614 -0.383 0.082) 1.661 1.995 ( 4.583 -0.926 0.238) 4.682 2.097 ( -0.934 -1.397 1.823) 2.479 2.427 ( 2.910 1.328 -1.527) 3.545 2.574 ( -2.839 -2.225 2.960) 4.666 2.795 ( -0.425 3.162 -3.196) 4.516 3.341 ( -0.169 -5.316 0.992) 5.410 3.363 ( 0.957 -0.897 0.416) 1.376 3.585 ( 0.502 -2.615 1.332) 2.978 3.788 ( -4.183 0.363 1.285) 4.391 3.918 ( 2.538 -0.420 1.585) 3.022 4.039 ( 0.758 -0.121 2.232) 2.360 8.234 ( 1.982 2.214 0.856) 3.093 8.986 ( -3.308 4.275 0.791) 5.463 9.626 ( 2.719 -4.359 3.203) 6.054 10.684 ( -3.941 6.292 -1.523) 7.579 15.096 ( -2.583 1.018 0.927) 2.927 16.592 ( 4.000 4.179 0.573) 5.814 ======================= Grid point 815 (388/429) ======================= q-point: (-0.43 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 6.081 0.246 -0.589) 6.115 1.334 ( -2.377 -0.569 0.425) 2.481 1.567 ( -0.785 3.277 0.640) 3.430 1.785 ( -1.822 -1.963 0.553) 2.735 2.012 ( 3.632 2.077 0.072) 4.184 2.111 ( -0.474 0.178 1.578) 1.657 2.396 ( -0.495 1.634 -0.694) 1.843 2.602 ( -2.099 -0.188 -0.246) 2.122 2.771 ( 1.325 -2.197 0.727) 2.667 3.359 ( 0.184 1.679 -0.892) 1.910 3.395 ( -0.025 -0.331 -0.656) 0.735 3.591 ( -1.710 1.974 -1.031) 2.808 3.781 ( -1.317 -2.226 -1.361) 2.923 3.906 ( 0.089 2.945 -0.474) 2.984 4.051 ( 1.632 0.922 1.632) 2.486 8.232 ( 4.237 0.180 0.078) 4.242 8.889 ( -10.118 1.915 0.869) 10.334 9.736 ( 10.494 -1.255 2.388) 10.835 10.598 ( -4.208 -1.172 -2.574) 5.070 15.087 ( -0.370 -1.121 -0.744) 1.396 16.544 ( 0.308 2.707 0.659) 2.804 ======================= Grid point 816 (389/429) ======================= q-point: (-0.36 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 7.949 1.559 -0.507) 8.116 1.277 ( -0.954 5.361 -0.047) 5.446 1.480 ( -6.146 3.450 0.271) 7.053 1.789 ( -0.723 2.011 0.601) 2.220 1.962 ( 1.510 4.623 -0.233) 4.869 2.095 ( -0.772 1.681 0.802) 2.016 2.357 ( -3.181 1.416 -0.116) 3.484 2.591 ( 1.906 -0.310 -1.123) 2.234 2.856 ( 0.043 -3.949 2.925) 4.914 3.295 ( 0.030 4.485 -2.555) 5.162 3.362 ( 0.793 3.065 -1.009) 3.323 3.508 ( -3.159 3.623 -3.119) 5.730 3.821 ( 1.161 2.810 -2.459) 3.910 3.831 ( -1.149 -1.370 -1.534) 2.356 4.021 ( 0.484 3.434 -0.152) 3.471 8.281 ( 6.411 -2.150 -0.392) 6.773 8.814 ( -13.297 -1.332 0.839) 13.389 9.788 ( 12.856 4.369 0.648) 13.593 10.678 ( -3.147 -11.192 -2.662) 11.927 15.131 ( 1.980 -3.750 -1.813) 4.612 16.500 ( -3.152 1.493 0.601) 3.539 ======================= Grid point 817 (390/429) ======================= q-point: (-0.29 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 8.829 3.475 0.084) 9.489 1.154 ( 0.621 6.914 -0.563) 6.965 1.370 ( -9.071 3.792 -0.824) 9.866 1.711 ( -2.637 3.949 0.012) 4.749 1.873 ( -0.088 5.297 -0.490) 5.321 2.054 ( -0.652 2.294 0.292) 2.403 2.300 ( -2.824 3.072 -0.219) 4.179 2.624 ( 1.889 -1.518 0.340) 2.447 2.881 ( -1.823 2.981 2.285) 4.175 3.192 ( 0.283 5.035 -2.314) 5.548 3.318 ( 2.366 1.497 -1.690) 3.270 3.415 ( -2.574 3.248 -2.019) 4.610 3.729 ( -0.287 3.942 -1.834) 4.358 3.882 ( 1.016 -2.833 -2.788) 4.102 3.945 ( -1.037 3.273 -1.909) 3.929 8.383 ( 8.292 -4.089 -0.437) 9.256 8.789 ( -13.659 -4.463 0.961) 14.402 9.743 ( 10.229 7.239 -2.095) 12.706 10.930 ( 0.011 -17.179 -1.096) 17.213 15.237 ( 4.262 -6.582 -1.657) 8.015 16.455 ( -6.157 0.427 0.373) 6.183 ======================= Grid point 818 (391/429) ======================= q-point: (-0.21 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 7.231 5.976 0.774) 9.413 1.043 ( 0.028 5.020 -0.228) 5.025 1.233 ( -8.342 3.764 -1.641) 9.297 1.671 ( -0.678 -0.850 -0.014) 1.087 1.764 ( -1.829 5.190 -0.634) 5.540 2.012 ( -0.067 2.117 0.398) 2.155 2.196 ( -2.664 6.403 -0.244) 6.940 2.653 ( -0.115 -0.066 0.612) 0.626 2.742 ( -2.151 10.169 0.621) 10.413 3.116 ( -0.460 2.005 -1.044) 2.307 3.313 ( 2.255 0.851 -1.497) 2.837 3.343 ( -0.786 2.998 -0.304) 3.114 3.680 ( 0.243 0.473 -1.061) 1.187 3.876 ( -0.419 0.530 -2.090) 2.197 3.954 ( 0.239 -4.430 -2.568) 5.126 8.518 ( 8.709 -4.923 -0.385) 10.011 8.819 ( -11.632 -6.570 1.019) 13.398 9.638 ( 6.428 8.604 -3.173) 11.199 11.269 ( 2.125 -18.553 -0.037) 18.674 15.406 ( 5.618 -8.840 -0.675) 10.495 16.417 ( -7.711 -0.895 0.242) 7.767 ======================= Grid point 819 (392/429) ======================= q-point: (-0.14 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 2.257 8.517 0.615) 8.833 0.980 ( -0.293 1.629 1.442) 2.195 1.132 ( -3.627 3.743 -1.426) 5.403 1.634 ( 0.692 4.836 -0.957) 4.979 1.748 ( -0.297 -3.495 0.286) 3.519 1.978 ( 0.502 2.258 1.678) 2.858 2.047 ( -3.060 6.504 -1.296) 7.304 2.466 ( -0.650 16.191 -0.117) 16.204 2.679 ( -1.747 -1.101 0.385) 2.101 3.112 ( -0.655 -1.957 -0.237) 2.077 3.271 ( 0.342 3.463 -0.675) 3.545 3.296 ( 0.531 2.711 -0.117) 2.765 3.696 ( 0.193 -1.745 -0.133) 1.761 3.901 ( 0.310 -3.923 -0.931) 4.044 4.066 ( 0.422 -9.237 -1.413) 9.354 8.651 ( 6.259 -4.387 -0.368) 7.653 8.890 ( -7.043 -6.347 0.693) 9.506 9.470 ( 2.602 11.682 -1.976) 12.130 11.618 ( 2.153 -17.673 -0.110) 17.804 15.610 ( 4.484 -9.493 0.161) 10.500 16.408 ( -5.963 -2.777 0.303) 6.585 ======================= Grid point 820 (393/429) ======================= q-point: (-0.07 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 399 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 0.000 7.569 0.000) 7.569 0.993 ( -0.000 -2.537 -0.000) 2.537 0.995 ( 0.000 9.958 0.000) 9.958 1.573 ( -0.000 1.594 0.000) 1.594 1.751 ( -0.000 4.106 0.000) 4.106 1.957 ( -0.000 2.368 -0.000) 2.368 1.966 ( 0.000 -0.755 0.000) 0.755 2.148 ( 0.000 16.468 0.000) 16.468 2.700 ( 0.000 -1.667 0.000) 1.667 3.146 ( 0.000 -0.340 -0.000) 0.340 3.205 ( -0.000 3.620 0.000) 3.620 3.240 ( -0.000 2.335 0.000) 2.335 3.729 ( -0.000 -1.650 0.000) 1.650 3.993 ( -0.000 -5.307 0.000) 5.307 4.311 ( 0.000 -17.285 0.000) 17.285 8.741 ( 0.000 -3.020 0.000) 3.020 8.926 ( -0.000 3.299 0.000) 3.299 9.250 ( 0.000 9.561 0.000) 9.561 11.930 ( -0.000 -15.183 0.000) 15.183 15.787 ( 0.000 -7.781 0.000) 7.781 16.459 ( -0.000 -4.584 0.000) 4.584 ======================= Grid point 824 (394/429) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 2.735 -0.000 -2.353) 3.608 0.686 ( 13.058 -0.000 -1.390) 13.132 1.037 ( -2.069 0.000 -5.563) 5.936 1.491 ( -3.104 0.000 -1.613) 3.498 1.638 ( -3.489 0.000 0.757) 3.570 1.695 ( 2.836 -0.000 0.217) 2.844 1.932 ( 5.734 -0.000 -5.024) 7.624 2.237 ( 6.966 -0.000 7.813) 10.468 2.831 ( 5.576 -0.000 -0.859) 5.642 2.985 ( 1.316 -0.000 -6.313) 6.448 3.162 ( -1.255 0.000 5.277) 5.425 3.289 ( 2.949 -0.000 -1.432) 3.278 3.757 ( 0.224 -0.000 -2.327) 2.337 4.072 ( -2.813 0.000 -0.105) 2.815 4.705 ( -9.362 0.000 1.241) 9.444 8.188 ( -17.223 0.000 -0.326) 17.227 9.068 ( 13.306 -0.000 -0.313) 13.310 9.320 ( 7.242 -0.000 0.972) 7.307 12.085 ( -20.854 0.000 4.401) 21.313 15.714 ( -10.536 0.000 -6.657) 12.463 16.829 ( 19.635 -0.000 0.093) 19.635 ======================= Grid point 825 (395/429) ======================= q-point: ( 0.21 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 8.903 -2.312 -1.257) 9.284 0.837 ( 4.195 -5.038 -4.903) 8.187 1.025 ( 4.007 -4.738 -1.528) 6.391 1.527 ( -2.354 -4.037 -1.583) 4.934 1.590 ( -5.587 -0.173 0.859) 5.655 1.796 ( 2.012 -6.576 -3.607) 7.766 1.982 ( 7.597 -3.616 -1.657) 8.576 2.307 ( 6.886 0.011 7.607) 10.261 2.843 ( 6.289 1.543 -1.472) 6.641 3.044 ( 0.526 -6.797 -3.697) 7.755 3.194 ( -1.509 -2.098 4.571) 5.251 3.279 ( 3.414 2.325 -2.836) 5.010 3.736 ( -1.494 0.955 -2.039) 2.702 4.028 ( -2.747 2.560 0.620) 3.806 4.521 ( -7.494 12.634 2.211) 14.855 8.223 ( -17.564 -12.472 1.901) 21.625 9.149 ( 10.128 -1.042 -0.529) 10.196 9.348 ( 9.062 2.497 0.899) 9.443 11.873 ( -23.994 8.286 0.420) 25.388 15.592 ( -9.443 3.597 -5.969) 11.736 16.924 ( 20.450 3.460 1.956) 20.833 ======================= Grid point 826 (396/429) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 7.566 -1.048 -3.545) 8.421 0.887 ( 2.305 -3.999 -2.280) 5.148 1.261 ( 9.309 -12.396 1.454) 15.570 1.511 ( -5.397 0.417 -0.567) 5.443 1.652 ( -2.868 -6.667 0.813) 7.303 1.887 ( 4.971 -3.411 -5.872) 8.416 2.136 ( 3.326 -7.819 0.759) 8.531 2.398 ( 5.792 -3.575 5.500) 8.751 2.838 ( 5.868 2.569 -1.921) 6.688 3.166 ( 0.252 -5.891 -0.491) 5.917 3.208 ( -1.029 2.076 -2.914) 3.723 3.269 ( 2.327 -1.693 3.391) 4.448 3.696 ( -3.874 0.862 1.117) 4.123 3.973 ( -1.137 2.191 1.628) 2.957 4.260 ( -4.102 11.652 3.703) 12.895 8.352 ( -13.853 -8.636 4.377) 16.901 9.217 ( 2.053 -2.222 0.204) 3.032 9.354 ( 10.177 3.295 1.160) 10.760 11.548 ( -21.146 10.265 -3.794) 23.810 15.437 ( -7.923 5.167 -3.139) 9.966 16.957 ( 18.275 6.699 2.666) 19.646 ======================= Grid point 827 (397/429) ======================= q-point: ( 0.36 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 5.526 -1.117 -3.377) 6.572 0.983 ( 3.986 -3.735 0.070) 5.463 1.459 ( -2.874 -0.863 1.311) 3.275 1.556 ( 6.873 -10.003 0.066) 12.137 1.774 ( -0.165 -6.784 2.179) 7.127 1.940 ( 3.882 -1.632 -4.304) 6.021 2.268 ( 1.300 -4.636 2.210) 5.298 2.556 ( 2.006 -8.081 1.441) 8.450 2.802 ( 4.825 3.127 -2.647) 6.329 3.131 ( -1.544 2.255 -2.652) 3.809 3.264 ( 0.541 -3.097 1.416) 3.448 3.343 ( 2.226 -3.204 4.194) 5.728 3.693 ( -3.379 -1.741 4.944) 6.236 3.948 ( -0.873 1.014 1.702) 2.165 4.094 ( -1.778 6.205 4.249) 7.728 8.390 ( -5.863 -0.511 4.119) 7.183 9.238 ( -1.774 0.722 0.523) 1.985 9.380 ( 5.568 -0.373 3.480) 6.576 11.239 ( -15.844 9.075 -5.091) 18.955 15.293 ( -6.412 4.852 -0.174) 8.043 16.922 ( 14.455 8.679 2.160) 16.998 ======================= Grid point 828 (398/429) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 6.930 -0.978 -1.768) 7.219 1.073 ( 2.526 -4.085 1.173) 4.944 1.460 ( -5.118 -2.657 -0.542) 5.792 1.749 ( 6.936 -3.927 2.578) 8.377 1.898 ( 3.515 -4.572 0.842) 5.828 1.977 ( -0.740 -3.493 -0.883) 3.678 2.362 ( 1.776 -3.740 2.109) 4.646 2.633 ( -0.835 1.177 0.020) 1.443 2.814 ( 2.904 -2.610 -3.884) 5.507 3.108 ( -2.407 -2.989 -0.801) 3.920 3.316 ( 1.754 -1.445 2.927) 3.705 3.443 ( 2.534 -4.029 3.388) 5.843 3.743 ( -2.700 -2.666 6.060) 7.150 3.927 ( -1.119 1.041 1.028) 1.842 4.039 ( -0.243 1.363 3.984) 4.218 8.358 ( 0.548 3.259 3.027) 4.481 9.176 ( -4.296 4.057 1.069) 6.004 9.459 ( 3.695 -3.220 4.863) 6.904 10.982 ( -11.145 8.040 -4.474) 14.453 15.184 ( -4.930 3.630 1.566) 6.319 16.839 ( 10.304 8.919 1.391) 13.699 ======================= Grid point 829 (399/429) ======================= q-point: ( 0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 8.144 -0.725 -0.799) 8.215 1.180 ( 1.005 -5.417 1.716) 5.771 1.499 ( -3.821 -4.906 -0.819) 6.272 1.788 ( -0.704 1.461 1.871) 2.476 2.002 ( 7.792 -2.580 0.273) 8.213 2.049 ( -1.700 -4.035 1.846) 4.752 2.437 ( 1.993 -2.051 1.122) 3.071 2.576 ( -1.667 2.879 0.103) 3.328 2.815 ( -0.953 1.060 -3.800) 4.058 3.211 ( -0.325 -7.802 -0.552) 7.828 3.364 ( 1.900 -0.987 3.009) 3.693 3.538 ( 1.642 -3.465 2.299) 4.471 3.775 ( -4.796 -0.236 3.939) 6.211 3.927 ( 1.905 -0.654 1.067) 2.279 4.048 ( -0.028 -0.395 3.001) 3.027 8.315 ( 4.206 3.787 1.920) 5.976 9.053 ( -8.701 5.466 1.644) 10.406 9.582 ( 7.184 -4.635 4.713) 9.763 10.769 ( -8.085 7.136 -3.594) 11.367 15.111 ( -3.510 2.232 1.561) 4.443 16.739 ( 6.476 7.837 0.956) 10.211 ======================= Grid point 830 (400/429) ======================= q-point: ( 0.57 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 8.948 -0.205 -0.839) 8.989 1.274 ( -1.920 -3.819 1.569) 4.553 1.580 ( -0.257 -4.256 -0.244) 4.271 1.743 ( -4.415 1.259 1.083) 4.717 2.070 ( 6.247 0.463 0.839) 6.320 2.106 ( 0.167 -1.702 2.229) 2.810 2.441 ( 1.983 2.702 -2.209) 4.014 2.550 ( -5.148 -1.940 2.595) 6.083 2.773 ( 0.608 1.096 -2.222) 2.551 3.332 ( 0.148 -5.038 -2.262) 5.524 3.390 ( 0.925 0.426 2.402) 2.609 3.598 ( 0.120 -0.899 1.092) 1.419 3.742 ( -3.901 0.337 -0.069) 3.917 3.947 ( 0.747 0.921 0.670) 1.363 4.074 ( 1.617 -0.628 2.529) 3.066 8.291 ( 6.247 2.645 0.806) 6.832 8.896 ( -11.822 5.126 1.560) 12.980 9.750 ( 11.166 -5.261 4.489) 13.134 10.595 ( -7.212 5.033 -3.659) 9.525 15.072 ( -2.054 0.520 0.326) 2.144 16.642 ( 3.167 6.235 0.872) 7.047 ======================= Grid point 831 (401/429) ======================= q-point: (-0.36 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 9.539 0.461 -1.106) 9.614 1.299 ( -4.251 -0.460 0.967) 4.384 1.557 ( -2.010 5.912 0.915) 6.311 1.767 ( -1.542 -4.235 0.228) 4.513 2.064 ( 3.816 3.859 0.801) 5.487 2.121 ( -0.087 1.092 1.613) 1.950 2.382 ( -0.584 3.095 -0.800) 3.249 2.569 ( -2.813 -2.160 -0.227) 3.554 2.795 ( 1.523 -3.109 0.738) 3.540 3.352 ( 0.345 2.113 -1.519) 2.625 3.391 ( -0.019 0.092 -0.267) 0.283 3.551 ( -2.615 4.213 -1.767) 5.264 3.758 ( -0.568 -3.230 -1.139) 3.472 3.902 ( -0.254 3.872 -0.404) 3.902 4.086 ( 1.655 1.992 1.590) 3.039 8.306 ( 7.826 0.359 -0.054) 7.835 8.751 ( -13.239 2.720 1.188) 13.567 9.918 ( 14.027 -1.215 4.422) 14.757 10.494 ( -8.116 -2.438 -4.620) 9.652 15.075 ( -0.456 -1.947 -0.915) 2.199 16.555 ( 0.379 4.803 0.809) 4.885 ======================= Grid point 832 (402/429) ======================= q-point: (-0.29 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 9.871 1.411 -0.893) 10.011 1.255 ( -3.040 2.931 0.147) 4.225 1.410 ( -5.654 7.049 0.879) 9.079 1.781 ( -0.793 3.127 0.002) 3.226 1.985 ( 2.063 6.238 -0.077) 6.571 2.090 ( -1.360 2.002 1.084) 2.652 2.323 ( -1.873 1.915 -0.424) 2.712 2.606 ( 1.251 -2.203 -0.257) 2.547 2.875 ( -0.096 -3.166 1.699) 3.595 3.280 ( 0.074 4.816 -1.366) 5.007 3.367 ( 1.603 2.422 -0.948) 3.055 3.444 ( -3.326 3.624 -2.382) 5.466 3.810 ( -0.456 4.782 -0.581) 4.839 3.815 ( 0.369 -2.973 -1.902) 3.549 4.028 ( 0.438 5.148 0.259) 5.173 8.375 ( 9.548 -2.296 -0.413) 9.829 8.657 ( -13.464 -1.023 0.892) 13.532 9.941 ( 9.849 7.581 1.626) 12.535 10.606 ( -4.250 -15.147 -2.788) 15.977 15.136 ( 1.052 -5.117 -1.229) 5.367 16.475 ( -1.707 3.713 0.555) 4.124 ======================= Grid point 833 (403/429) ======================= q-point: (-0.21 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 6.718 3.896 0.125) 7.767 1.166 ( 3.604 6.455 -0.837) 7.440 1.253 ( -9.678 4.841 0.306) 10.826 1.680 ( -1.624 4.368 -0.134) 4.662 1.874 ( 0.418 6.509 -0.366) 6.533 2.049 ( -0.473 2.038 0.399) 2.130 2.275 ( -0.985 3.059 -0.097) 3.215 2.644 ( 0.752 -0.960 0.227) 1.240 2.877 ( -0.771 3.942 0.733) 4.083 3.181 ( 0.035 5.031 -0.746) 5.087 3.338 ( 2.523 1.299 -0.986) 3.004 3.373 ( -2.501 1.772 -0.547) 3.114 3.717 ( -0.083 3.872 -0.649) 3.927 3.874 ( 0.367 -3.439 -1.258) 3.680 3.926 ( -0.437 5.005 -0.460) 5.045 8.492 ( 9.973 -3.574 -0.426) 10.603 8.640 ( -11.782 -5.345 0.707) 12.957 9.822 ( 3.973 9.113 -0.606) 9.960 10.918 ( -0.385 -19.598 -0.603) 19.612 15.265 ( 1.661 -8.198 -0.663) 8.390 16.406 ( -2.323 2.475 0.233) 3.402 ======================= Grid point 834 (404/429) ======================= q-point: (-0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 401 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 0.000 7.375 0.000) 7.375 1.043 ( -0.000 5.988 0.000) 5.988 1.160 ( 0.000 2.104 0.000) 2.104 1.662 ( 0.000 -2.645 0.000) 2.645 1.753 ( -0.000 6.380 0.000) 6.380 2.013 ( 0.000 1.817 0.000) 1.817 2.179 ( 0.000 7.037 0.000) 7.037 2.654 ( 0.000 0.186 0.000) 0.186 2.732 ( 0.000 10.856 0.000) 10.856 3.109 ( -0.000 2.137 0.000) 2.137 3.322 ( 0.000 1.862 0.000) 1.862 3.335 ( -0.000 1.543 0.000) 1.543 3.678 ( -0.000 0.175 0.000) 0.175 3.865 ( 0.000 0.662 0.000) 0.662 3.944 ( 0.000 -4.609 0.000) 4.609 8.591 ( -0.000 -3.937 0.000) 3.937 8.732 ( 0.000 -7.884 0.000) 7.884 9.664 ( 0.000 9.243 0.000) 9.243 11.281 ( -0.000 -19.467 0.000) 19.467 15.440 ( 0.000 -9.956 0.000) 9.956 16.370 ( -0.000 0.317 0.000) 0.317 ======================= Grid point 840 (405/429) ======================= q-point: ( 0.21 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 3.596 -0.000 -2.812) 4.565 0.816 ( 5.439 -0.000 -3.843) 6.660 1.012 ( 9.642 -0.000 -2.625) 9.992 1.443 ( -2.775 0.000 -1.434) 3.123 1.577 ( -5.799 0.000 -1.558) 6.005 1.729 ( 2.652 -0.000 -0.128) 2.655 2.002 ( 10.406 -0.000 -2.078) 10.611 2.379 ( 5.042 -0.000 8.670) 10.029 2.891 ( 5.544 -0.000 -1.176) 5.667 2.954 ( 1.810 -0.000 -5.887) 6.159 3.180 ( -2.113 0.000 4.204) 4.705 3.309 ( 4.053 -0.000 -4.354) 5.948 3.722 ( -3.063 0.000 -2.881) 4.205 4.037 ( -2.658 0.000 0.189) 2.665 4.606 ( -8.674 0.000 2.037) 8.910 7.986 ( -15.896 0.000 0.088) 15.896 9.211 ( 11.107 -0.000 -0.707) 11.130 9.434 ( 10.412 -0.000 0.589) 10.429 11.779 ( -30.894 0.000 -2.200) 30.972 15.549 ( -7.289 0.000 -6.217) 9.580 17.095 ( 20.585 -0.000 4.032) 20.976 ======================= Grid point 841 (406/429) ======================= q-point: ( 0.29 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 3.537 -3.566 -4.976) 7.070 0.824 ( 1.185 -4.072 -2.950) 5.166 1.141 ( 14.621 -5.816 1.060) 15.771 1.483 ( -3.096 -2.907 -1.912) 4.658 1.520 ( -4.919 -2.123 -0.825) 5.420 1.805 ( 3.093 -5.585 -1.948) 6.674 2.077 ( 9.482 -1.936 -0.801) 9.711 2.435 ( 3.297 0.186 7.981) 8.637 2.903 ( 5.331 1.528 -1.377) 5.714 3.023 ( 0.976 -7.510 -3.119) 8.190 3.197 ( -2.881 -1.151 2.370) 3.904 3.298 ( 4.960 1.313 -4.799) 7.026 3.680 ( -5.507 0.480 -1.294) 5.678 4.007 ( -1.341 1.693 0.444) 2.205 4.458 ( -6.068 10.322 2.837) 12.305 8.042 ( -15.332 -13.765 2.556) 20.762 9.247 ( 7.120 2.101 -0.725) 7.459 9.482 ( 12.235 2.124 0.100) 12.418 11.518 ( -29.970 5.177 -6.103) 31.020 15.459 ( -5.401 3.131 -4.111) 7.475 17.190 ( 18.170 4.541 4.814) 19.338 ======================= Grid point 842 (407/429) ======================= q-point: ( 0.36 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 0.697 -2.928 -4.665) 5.552 0.963 ( 8.780 -4.518 -0.165) 9.875 1.381 ( 7.317 -11.632 1.717) 13.849 1.428 ( -5.864 0.731 -2.775) 6.528 1.648 ( 1.851 -8.268 0.964) 8.528 1.919 ( 6.288 -3.902 -3.304) 8.104 2.173 ( 2.290 -4.677 0.099) 5.208 2.489 ( 1.565 -2.054 5.660) 6.221 2.881 ( 3.983 3.091 -2.302) 5.543 3.157 ( -2.536 2.560 -4.333) 5.636 3.176 ( 1.539 -7.353 0.798) 7.554 3.329 ( 3.936 -2.045 1.492) 4.680 3.651 ( -6.188 -1.381 3.056) 7.039 3.972 ( -0.480 1.661 0.280) 1.752 4.246 ( -3.203 9.895 3.690) 11.035 8.241 ( -11.093 -12.816 5.609) 17.854 9.218 ( -1.215 2.375 -0.039) 2.668 9.507 ( 13.752 3.528 -0.079) 14.197 11.227 ( -23.536 5.235 -7.506) 25.252 15.346 ( -4.196 4.620 -1.382) 6.392 17.184 ( 14.436 8.520 3.825) 17.193 ======================= Grid point 843 (408/429) ======================= q-point: ( 0.43 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 3.359 -4.122 -2.477) 5.865 1.068 ( 8.779 -1.271 0.474) 8.883 1.384 ( -5.489 -1.078 -2.703) 6.212 1.637 ( 0.034 -11.677 3.190) 12.105 1.824 ( 7.517 -7.114 0.730) 10.375 1.968 ( 5.235 1.257 -2.209) 5.820 2.276 ( -2.189 -6.306 1.474) 6.836 2.577 ( -1.019 -4.729 1.900) 5.197 2.833 ( 3.914 2.907 -2.684) 5.565 3.076 ( -2.590 1.541 -3.929) 4.952 3.298 ( 2.294 -3.602 2.337) 4.867 3.411 ( 3.727 -3.235 3.346) 5.962 3.685 ( -5.297 -3.696 5.826) 8.698 3.941 ( -0.973 1.206 -0.186) 1.561 4.108 ( -1.301 5.155 3.665) 6.458 8.383 ( -1.706 -4.103 5.504) 7.074 9.157 ( -10.235 0.920 1.512) 10.387 9.531 ( 13.718 2.573 1.051) 13.997 10.990 ( -16.877 4.377 -6.785) 18.709 15.237 ( -3.368 4.417 0.760) 5.606 17.093 ( 10.565 10.568 2.332) 15.124 ======================= Grid point 844 (409/429) ======================= q-point: ( 0.50 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 6.930 -3.241 -1.540) 7.804 1.137 ( 5.815 -1.470 1.835) 6.272 1.384 ( -4.488 -3.500 -2.401) 6.177 1.789 ( -4.595 -3.179 4.261) 7.026 1.959 ( 0.305 -3.174 -1.438) 3.498 2.000 ( 10.450 -3.856 1.187) 11.202 2.385 ( -0.368 -5.151 1.780) 5.462 2.607 ( -3.525 0.809 -0.777) 3.699 2.812 ( 1.672 0.783 -3.092) 3.602 3.080 ( -0.443 -4.928 -1.619) 5.206 3.367 ( 2.350 -1.597 2.996) 4.130 3.505 ( 3.379 -2.927 3.054) 5.415 3.741 ( -5.469 -2.483 5.358) 8.049 3.926 ( 0.557 -0.342 -0.141) 0.669 4.059 ( -0.993 1.233 2.728) 3.154 8.423 ( 5.890 2.536 3.478) 7.295 9.064 ( -14.265 2.229 2.269) 14.615 9.602 ( 12.218 -1.065 3.151) 12.663 10.799 ( -12.027 4.448 -5.522) 13.961 15.151 ( -2.713 3.493 1.575) 4.695 16.956 ( 7.059 10.552 1.280) 12.760 ======================= Grid point 845 (410/429) ======================= q-point: ( 0.57 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 9.721 -1.190 -1.317) 9.881 1.210 ( 0.781 -2.920 2.550) 3.955 1.448 ( -2.168 -6.726 -1.676) 7.263 1.761 ( -5.734 2.153 2.175) 6.500 2.042 ( -1.356 -4.916 1.496) 5.314 2.120 ( 9.945 -1.457 0.889) 10.091 2.458 ( 0.104 -1.913 1.154) 2.237 2.534 ( -4.410 2.750 -1.461) 5.398 2.784 ( 0.058 1.126 -2.214) 2.484 3.204 ( 0.507 -7.620 -1.404) 7.765 3.411 ( 1.766 -0.366 2.778) 3.312 3.579 ( 2.270 -2.083 2.119) 3.739 3.734 ( -5.331 0.821 1.718) 5.661 3.955 ( 1.214 -0.895 0.723) 1.672 4.066 ( -0.108 -1.438 1.969) 2.441 8.408 ( 8.621 4.486 1.611) 9.851 8.922 ( -14.112 4.589 1.927) 14.964 9.741 ( 11.271 -4.483 4.402) 12.904 10.629 ( -9.074 5.089 -4.509) 11.339 15.088 ( -2.025 2.311 1.044) 3.245 16.810 ( 4.093 9.181 0.818) 10.085 ======================= Grid point 846 (411/429) ======================= q-point: ( 0.64 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 10.061 0.143 -1.459) 10.167 1.255 ( -4.013 -1.773 2.116) 4.871 1.581 ( 1.353 -6.747 -0.642) 6.911 1.688 ( -5.727 1.868 1.026) 6.111 2.106 ( -0.622 -1.429 2.198) 2.695 2.174 ( 6.945 1.760 0.338) 7.173 2.442 ( 1.287 3.068 -2.062) 3.914 2.495 ( -6.230 -2.042 1.571) 6.742 2.772 ( 0.970 -0.531 -0.948) 1.456 3.317 ( 0.225 -4.576 -1.796) 4.921 3.417 ( 0.629 1.561 1.726) 2.411 3.604 ( -0.327 2.256 0.596) 2.356 3.702 ( -1.957 -1.413 -0.500) 2.465 3.951 ( -0.251 1.712 0.143) 1.736 4.110 ( 1.250 -1.180 1.574) 2.331 8.390 ( 8.831 3.269 0.331) 9.423 8.755 ( -12.608 5.109 1.328) 13.668 9.933 ( 11.576 -6.770 4.775) 14.235 10.462 ( -8.532 5.355 -4.462) 11.017 15.054 ( -1.126 0.467 0.038) 1.219 16.678 ( 1.732 7.422 0.624) 7.647 ======================= Grid point 847 (412/429) ======================= q-point: (-0.29 0.21 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 9.303 0.385 -1.453) 9.423 1.244 ( -6.623 0.059 1.422) 6.774 1.539 ( -1.368 7.392 0.430) 7.530 1.755 ( -0.481 -5.810 -0.018) 5.830 2.105 ( 1.208 2.586 1.495) 3.222 2.130 ( 0.487 4.670 -0.381) 4.710 2.373 ( -0.209 4.319 -0.246) 4.331 2.540 ( -1.408 -4.749 -0.129) 4.955 2.813 ( 0.651 -3.355 0.293) 3.430 3.346 ( 0.192 1.708 -0.786) 1.890 3.390 ( 0.009 0.775 0.074) 0.778 3.513 ( -1.255 5.613 -0.944) 5.828 3.749 ( -0.063 -3.339 -0.402) 3.364 3.896 ( -0.204 4.042 -0.142) 4.050 4.110 ( 0.664 2.609 0.623) 2.763 8.408 ( 8.164 0.077 -0.300) 8.170 8.609 ( -10.189 3.365 0.789) 10.759 10.126 ( 13.253 1.075 5.460) 14.374 10.335 ( -11.009 -5.209 -5.536) 13.379 15.065 ( -0.201 -2.356 -0.403) 2.399 16.563 ( 0.167 5.916 0.355) 5.929 ======================= Grid point 848 (413/429) ======================= q-point: (-0.21 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 399 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 0.000 2.689 -0.000) 2.689 1.204 ( -0.000 -0.471 0.000) 0.471 1.376 ( 0.000 9.432 0.000) 9.432 1.776 ( 0.000 3.820 0.000) 3.820 2.000 ( 0.000 7.133 0.000) 7.133 2.084 ( -0.000 1.823 0.000) 1.823 2.309 ( 0.000 2.009 0.000) 2.009 2.613 ( 0.000 -2.991 0.000) 2.991 2.881 ( 0.000 -2.742 0.000) 2.742 3.275 ( 0.000 4.926 0.000) 4.926 3.382 ( -0.000 0.797 0.000) 0.797 3.404 ( 0.000 4.865 0.000) 4.865 3.805 ( 0.000 5.396 -0.000) 5.396 3.809 ( 0.000 -3.361 0.000) 3.361 4.032 ( -0.000 5.736 0.000) 5.736 8.483 ( -0.000 -4.381 0.000) 4.381 8.528 ( 0.000 1.047 0.000) 1.047 10.015 ( 0.000 10.376 0.000) 10.376 10.562 ( -0.000 -18.126 0.000) 18.126 15.138 ( -0.000 -5.653 0.000) 5.653 16.467 ( 0.000 4.540 0.000) 4.540 ======================= Grid point 856 (414/429) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 3.793 -0.000 -2.631) 4.616 0.758 ( -2.617 0.000 -6.723) 7.214 1.215 ( 17.203 -0.000 2.893) 17.444 1.402 ( -2.221 0.000 -1.063) 2.463 1.486 ( -4.299 0.000 -3.746) 5.702 1.757 ( 2.351 -0.000 -0.302) 2.371 2.135 ( 12.048 -0.000 0.194) 12.049 2.483 ( 0.155 -0.000 8.848) 8.849 2.935 ( 2.434 -0.000 -5.106) 5.656 2.943 ( 4.407 -0.000 -0.665) 4.457 3.177 ( -3.197 0.000 2.961) 4.357 3.313 ( 5.038 -0.000 -8.615) 9.980 3.639 ( -7.139 0.000 -1.534) 7.302 4.018 ( -0.487 0.000 -0.127) 0.504 4.535 ( -6.193 0.000 2.716) 6.762 7.813 ( -13.105 0.000 0.505) 13.115 9.323 ( 8.444 -0.000 -0.916) 8.494 9.575 ( 12.580 -0.000 -0.201) 12.581 11.338 ( -33.106 0.000 -8.912) 34.285 15.449 ( -3.252 0.000 -3.129) 4.513 17.361 ( 15.798 -0.000 6.105) 16.937 ======================= Grid point 857 (415/429) ======================= q-point: ( 0.36 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -0.488 -1.720 -4.673) 5.003 0.849 ( 4.220 -10.220 -1.705) 11.188 1.306 ( 3.542 -2.019 2.477) 4.770 1.408 ( -1.979 0.768 -4.079) 4.598 1.517 ( 7.149 -7.026 -0.149) 10.025 1.832 ( 2.951 -5.997 -0.853) 6.738 2.190 ( 9.296 1.432 -0.031) 9.406 2.506 ( -1.851 0.310 7.632) 7.860 2.936 ( 1.964 1.552 -1.802) 3.084 3.033 ( 3.747 -8.065 -0.881) 8.936 3.161 ( -3.872 1.081 -1.084) 4.164 3.316 ( 5.133 -1.481 -6.604) 8.494 3.597 ( -7.576 -0.783 1.370) 7.739 4.002 ( 0.292 1.510 -0.525) 1.625 4.420 ( -4.205 8.863 2.996) 10.257 7.899 ( -11.639 -15.263 2.703) 19.384 9.312 ( 4.770 5.231 -0.991) 7.148 9.637 ( 13.538 1.628 -0.605) 13.649 11.092 ( -28.676 1.336 -9.571) 30.260 15.394 ( -2.084 3.068 -1.412) 3.968 17.418 ( 12.389 5.537 5.287) 14.564 ======================= Grid point 858 (416/429) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 1.087 -4.630 -2.021) 5.167 1.055 ( 6.547 -7.087 -0.867) 9.688 1.332 ( -5.227 -1.570 -3.346) 6.402 1.440 ( 0.237 -6.823 1.415) 6.973 1.729 ( 10.341 -8.880 0.295) 13.634 1.977 ( 5.698 -6.086 -1.052) 8.403 2.192 ( 0.505 0.968 0.121) 1.099 2.525 ( -2.388 -1.359 5.052) 5.751 2.899 ( 2.209 2.765 -2.085) 4.108 3.081 ( -3.307 2.669 -5.285) 6.781 3.217 ( 3.144 -7.902 2.148) 8.772 3.380 ( 3.892 -3.662 -1.029) 5.442 3.601 ( -6.772 -3.192 4.438) 8.704 3.965 ( -0.069 2.071 -1.045) 2.321 4.241 ( -2.141 8.684 3.159) 9.485 8.176 ( -7.178 -17.150 5.447) 19.373 9.195 ( -1.775 7.289 -0.817) 7.547 9.674 ( 13.777 3.019 -0.283) 14.107 10.889 ( -21.163 0.568 -8.035) 22.644 15.308 ( -1.525 4.547 0.145) 4.798 17.356 ( 9.083 9.809 3.332) 13.777 ======================= Grid point 859 (417/429) ======================= q-point: ( 0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 3.088 -6.098 -0.568) 6.859 1.158 ( 2.921 -2.038 0.006) 3.562 1.326 ( 2.795 -0.363 -3.857) 4.777 1.616 ( -6.472 -11.598 3.406) 13.711 1.930 ( 8.623 -4.592 -1.584) 9.897 2.034 ( 6.146 2.057 1.280) 6.607 2.249 ( -3.315 -8.522 0.817) 9.180 2.559 ( -4.144 -2.055 1.350) 4.818 2.853 ( 2.465 2.773 -1.967) 4.200 3.019 ( -1.600 -0.426 -3.493) 3.866 3.347 ( 2.447 -3.530 2.193) 4.822 3.481 ( 4.505 -3.993 1.635) 6.238 3.656 ( -6.554 -4.586 4.925) 9.394 3.928 ( -0.290 0.956 -1.017) 1.426 4.118 ( -1.041 4.919 2.463) 5.599 8.431 ( 1.941 -8.939 5.339) 10.591 9.039 ( -9.690 5.286 0.071) 11.038 9.703 ( 12.705 2.226 1.061) 12.942 10.743 ( -14.584 0.831 -6.193) 15.866 15.218 ( -1.285 4.470 1.065) 4.772 17.209 ( 6.100 11.706 1.661) 13.304 ======================= Grid point 860 (418/429) ======================= q-point: ( 0.57 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 4.929 -5.466 -0.509) 7.378 1.199 ( 0.017 -1.674 1.053) 1.978 1.350 ( 3.718 -1.771 -2.426) 4.780 1.742 ( -7.067 -3.051 3.286) 8.370 1.949 ( -0.255 -2.373 -0.624) 2.467 2.141 ( 9.963 -3.648 0.890) 10.647 2.389 ( -0.813 -6.210 1.748) 6.502 2.534 ( -5.913 1.048 -2.114) 6.367 2.811 ( 1.151 2.255 -1.379) 2.883 3.071 ( 0.539 -6.121 -1.167) 6.254 3.413 ( 1.650 -1.672 1.883) 3.011 3.571 ( 4.149 -2.015 1.894) 4.986 3.701 ( -6.060 -2.048 2.710) 6.947 3.935 ( 0.876 -1.841 -0.075) 2.040 4.062 ( -0.988 1.378 1.302) 2.138 8.550 ( 10.623 1.907 2.752) 11.138 8.895 ( -15.405 2.358 0.942) 15.612 9.767 ( 10.015 -1.147 2.562) 10.401 10.623 ( -9.419 2.209 -4.443) 10.646 15.139 ( -1.094 3.741 1.017) 4.028 17.028 ( 3.497 11.398 0.735) 11.945 ======================= Grid point 861 (419/429) ======================= q-point: ( 0.64 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 5.716 -3.259 -1.215) 6.691 1.223 ( -1.746 -0.458 1.803) 2.552 1.434 ( 1.139 -6.801 -0.958) 6.962 1.707 ( -4.134 1.956 1.090) 4.701 2.039 ( -0.529 -5.561 0.584) 5.617 2.236 ( 6.656 -0.428 0.744) 6.712 2.451 ( -5.507 0.190 2.536) 6.066 2.471 ( 0.505 0.080 -3.316) 3.355 2.777 ( 0.329 1.185 -0.622) 1.378 3.201 ( 0.329 -7.208 -0.644) 7.244 3.443 ( 0.755 -0.039 1.143) 1.370 3.626 ( 3.127 -0.928 1.442) 3.566 3.681 ( -4.324 0.822 -0.181) 4.405 3.966 ( 0.197 -0.125 0.210) 0.314 4.077 ( 0.048 -2.694 0.702) 2.785 8.533 ( 9.065 6.122 0.574) 10.953 8.770 ( -11.156 3.045 0.847) 11.595 9.885 ( 6.108 -5.171 2.419) 8.360 10.505 ( -5.100 4.539 -2.577) 7.297 15.078 ( -0.648 2.553 0.370) 2.660 16.848 ( 1.388 9.771 0.317) 9.875 ======================= Grid point 862 (420/429) ======================= q-point: ( 0.71 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 401 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 0.000 -1.647 -0.000) 1.647 1.206 ( -0.000 0.923 0.000) 0.923 1.596 ( -0.000 -9.792 0.000) 9.792 1.644 ( -0.000 4.148 0.000) 4.148 2.111 ( -0.000 -1.795 -0.000) 1.795 2.227 ( -0.000 3.732 -0.000) 3.732 2.448 ( 0.000 3.005 -0.000) 3.005 2.448 ( -0.000 -3.139 0.000) 3.139 2.775 ( -0.000 -1.017 -0.000) 1.017 3.311 ( -0.000 -4.383 0.000) 4.383 3.428 ( -0.000 2.057 0.000) 2.057 3.603 ( 0.000 4.299 0.000) 4.299 3.689 ( -0.000 -2.908 -0.000) 2.908 3.949 ( -0.000 1.881 0.000) 1.881 4.125 ( -0.000 -1.338 0.000) 1.338 8.467 ( -0.000 3.619 0.000) 3.619 8.661 ( 0.000 4.968 0.000) 4.968 10.045 ( -0.000 -9.543 -0.000) 9.543 10.370 ( 0.000 7.721 0.000) 7.721 15.047 ( -0.000 0.504 0.000) 0.504 16.691 ( -0.000 7.801 -0.000) 7.801 ======================= Grid point 872 (421/429) ======================= q-point: ( 0.36 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 1.480 -0.000 -2.859) 3.220 0.748 ( 3.175 -0.000 -1.948) 3.725 1.285 ( -7.886 0.000 -1.252) 7.985 1.373 ( -1.538 0.000 -0.653) 1.671 1.551 ( 18.206 -0.000 -0.486) 18.213 1.780 ( 1.843 -0.000 -0.297) 1.867 2.275 ( 9.418 -0.000 1.009) 9.472 2.524 ( -4.167 0.000 7.988) 9.010 2.932 ( 2.968 -0.000 -4.003) 4.984 2.988 ( 2.499 -0.000 1.818) 3.091 3.153 ( -3.946 0.000 1.925) 4.390 3.283 ( 4.773 -0.000 -14.265) 15.043 3.550 ( -7.100 0.000 2.505) 7.529 4.018 ( 0.887 -0.000 -0.871) 1.243 4.497 ( -3.926 0.000 2.639) 4.730 7.682 ( -9.267 0.000 0.678) 9.292 9.400 ( 5.639 -0.000 -0.847) 5.702 9.728 ( 13.413 -0.000 -1.001) 13.450 10.884 ( -28.205 0.000 -9.851) 29.875 15.411 ( -0.949 0.000 -0.662) 1.157 17.559 ( 9.312 -0.000 5.265) 10.697 ======================= Grid point 873 (422/429) ======================= q-point: ( 0.43 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 1.807 -1.792 -0.804) 2.669 0.890 ( 4.661 -11.474 -1.134) 12.436 1.228 ( -9.591 -1.447 -2.385) 9.988 1.397 ( 0.035 -2.332 -0.794) 2.464 1.676 ( 14.551 -3.426 0.332) 14.953 1.863 ( 3.203 -6.714 -0.264) 7.444 2.280 ( 4.367 4.335 0.437) 6.168 2.524 ( -3.296 0.304 6.116) 6.954 2.935 ( 0.705 0.862 -1.541) 1.901 3.086 ( -1.345 -4.558 2.575) 5.405 3.097 ( 1.595 -0.196 -3.577) 3.922 3.303 ( 2.651 -4.648 -8.729) 10.239 3.538 ( -5.412 -1.382 4.016) 6.880 4.002 ( 0.747 1.862 -1.157) 2.316 4.402 ( -2.497 8.034 2.340) 8.732 7.806 ( -7.139 -16.752 2.101) 18.331 9.348 ( 2.708 7.728 -0.926) 8.241 9.793 ( 13.003 1.357 -0.894) 13.104 10.708 ( -22.370 -1.770 -7.780) 23.750 15.376 ( -0.467 3.078 0.064) 3.114 17.568 ( 6.519 6.058 3.681) 9.630 ======================= Grid point 874 (423/429) ======================= q-point: ( 0.50 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 1.984 -5.231 0.290) 5.602 1.093 ( 0.968 -5.191 -1.311) 5.441 1.267 ( -0.865 -9.622 -2.598) 10.005 1.433 ( -2.102 -2.672 1.135) 3.584 1.864 ( 10.376 -8.061 -0.487) 13.148 2.031 ( 3.875 -8.733 -0.067) 9.555 2.183 ( -2.751 6.352 0.759) 6.964 2.527 ( -2.255 -0.172 3.210) 3.927 2.905 ( 0.976 2.169 -0.934) 2.556 3.003 ( -2.648 1.804 -4.305) 5.366 3.278 ( 3.141 -6.984 2.937) 8.202 3.397 ( 1.725 -7.001 -3.379) 7.963 3.566 ( -4.463 -2.899 4.024) 6.672 3.956 ( 0.065 2.550 -1.131) 2.791 4.243 ( -1.075 8.037 1.858) 8.319 8.150 ( -3.332 -20.758 3.431) 21.302 9.169 ( -1.270 11.035 -0.802) 11.137 9.824 ( 10.693 2.697 -0.035) 11.028 10.614 ( -14.459 -2.466 -5.191) 15.559 15.302 ( -0.309 4.582 0.518) 4.622 17.456 ( 4.152 10.420 1.819) 11.363 ======================= Grid point 875 (424/429) ======================= q-point: ( 0.57 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 2.098 -6.945 0.358) 7.264 1.136 ( -2.545 -2.832 -0.815) 3.894 1.387 ( 7.371 0.706 -2.175) 7.717 1.557 ( -6.059 -12.502 2.270) 14.077 1.995 ( 4.046 4.719 -1.188) 6.328 2.097 ( 1.063 -5.176 1.334) 5.450 2.233 ( 0.423 -10.338 0.347) 10.352 2.513 ( -3.325 0.858 0.281) 3.446 2.862 ( 0.827 2.735 -0.717) 2.946 2.987 ( -0.420 -2.490 -1.367) 2.872 3.383 ( 1.085 -3.068 0.942) 3.388 3.543 ( 4.614 -6.032 -0.386) 7.604 3.611 ( -5.623 -3.597 2.677) 7.192 3.919 ( -0.004 0.486 -0.508) 0.703 4.123 ( -0.423 5.072 0.867) 5.163 8.494 ( 2.002 -14.630 2.519) 14.980 8.944 ( -4.619 10.764 -0.490) 11.723 9.832 ( 6.137 1.830 0.725) 6.445 10.568 ( -6.769 -0.987 -2.749) 7.372 15.216 ( -0.279 4.610 0.487) 4.644 17.267 ( 1.951 12.179 0.584) 12.348 ======================= Grid point 876 (425/429) ======================= q-point: ( 0.64 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 399 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -0.000 -6.071 0.000) 6.071 1.185 ( -0.000 -3.361 -0.000) 3.361 1.384 ( -0.000 0.292 0.000) 0.292 1.704 ( -0.000 -2.978 -0.000) 2.978 1.945 ( -0.000 -2.185 0.000) 2.185 2.216 ( -0.000 -4.403 -0.000) 4.403 2.399 ( -0.000 -6.541 -0.000) 6.541 2.470 ( -0.000 2.029 -0.000) 2.029 2.813 ( -0.000 2.508 0.000) 2.508 3.070 ( -0.000 -6.458 0.000) 6.458 3.431 ( -0.000 -1.696 0.000) 1.696 3.623 ( 0.000 -1.198 -0.000) 1.198 3.656 ( -0.000 -2.412 -0.000) 2.412 3.941 ( -0.000 -2.383 0.000) 2.383 4.060 ( -0.000 1.480 0.000) 1.480 8.705 ( -0.000 -5.775 -0.000) 5.775 8.726 ( 0.000 9.977 0.000) 9.977 9.846 ( -0.000 -1.415 0.000) 1.415 10.539 ( -0.000 1.531 0.000) 1.531 15.137 ( -0.000 3.890 -0.000) 3.890 17.052 ( -0.000 11.644 -0.000) 11.644 ======================= Grid point 888 (426/429) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 5.634 -0.000 1.378) 5.801 0.766 ( 1.809 -0.000 -1.010) 2.072 1.148 ( -9.518 0.000 -3.377) 10.099 1.355 ( -0.785 0.000 -0.297) 0.839 1.761 ( 14.281 -0.000 0.480) 14.289 1.796 ( 1.038 -0.000 -0.173) 1.053 2.347 ( 0.660 -0.000 0.652) 0.927 2.538 ( -1.183 0.000 5.179) 5.312 2.941 ( 2.590 -0.000 -2.409) 3.537 3.038 ( -0.036 0.000 7.094) 7.094 3.119 ( -3.284 0.000 1.110) 3.467 3.201 ( 2.806 -0.000 -16.422) 16.660 3.515 ( -3.303 0.000 3.393) 4.735 4.022 ( 0.822 -0.000 -0.928) 1.240 4.479 ( -1.936 0.000 1.613) 2.520 7.602 ( -4.780 0.000 0.477) 4.803 9.445 ( 2.814 -0.000 -0.507) 2.859 9.876 ( 11.951 -0.000 -1.039) 11.996 10.529 ( -19.283 0.000 -5.801) 20.137 15.405 ( -0.122 0.000 0.179) 0.217 17.670 ( 3.991 -0.000 2.821) 4.888 ======================= Grid point 889 (427/429) ======================= q-point: ( 0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 1.532 -1.099 0.560) 1.967 0.949 ( 5.271 -12.203 0.540) 13.304 1.096 ( -7.752 -1.901 -2.471) 8.356 1.390 ( -0.233 -3.112 -0.183) 3.126 1.797 ( 4.202 -2.665 -0.063) 4.976 1.915 ( 4.598 -6.357 0.051) 7.846 2.292 ( -1.655 5.323 0.450) 5.592 2.542 ( 0.053 0.890 2.451) 2.608 2.936 ( 0.518 1.046 -0.050) 1.168 3.024 ( -2.461 3.771 -2.185) 5.005 3.167 ( 3.151 -7.865 4.635) 9.657 3.246 ( -0.767 -6.615 -7.405) 9.959 3.523 ( -1.611 -1.333 2.056) 2.933 4.001 ( 0.341 2.199 -0.610) 2.308 4.395 ( -0.829 7.628 0.887) 7.724 7.760 ( -2.388 -17.719 0.797) 17.897 9.364 ( 0.866 9.148 -0.385) 9.197 9.920 ( 7.420 1.668 -0.369) 7.614 10.457 ( -10.495 -3.823 -2.926) 11.546 15.376 ( -0.023 3.055 0.195) 3.061 17.638 ( 1.950 6.228 1.267) 6.649 ======================= Grid point 890 (428/429) ======================= q-point: ( 0.57 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 401 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( -0.000 -5.386 0.000) 5.386 1.084 ( -0.000 -1.748 -0.000) 1.748 1.258 ( 0.000 -16.436 -0.000) 16.436 1.423 ( -0.000 -0.210 0.000) 0.210 1.932 ( -0.000 -9.553 -0.000) 9.553 2.061 ( -0.000 -8.273 -0.000) 8.273 2.157 ( -0.000 8.277 0.000) 8.277 2.527 ( -0.000 1.189 -0.000) 1.189 2.908 ( -0.000 2.119 0.000) 2.119 2.966 ( -0.000 0.898 -0.000) 0.898 3.319 ( -0.000 -4.651 0.000) 4.651 3.383 ( -0.000 -10.680 -0.000) 10.680 3.556 ( -0.000 -2.173 -0.000) 2.173 3.951 ( -0.000 2.719 0.000) 2.719 4.244 ( -0.000 7.851 0.000) 7.851 8.144 ( -0.000 -22.218 -0.000) 22.218 9.157 ( -0.000 12.480 0.000) 12.480 9.898 ( -0.000 2.787 0.000) 2.787 10.496 ( -0.000 -3.668 0.000) 3.668 15.303 ( -0.000 4.596 -0.000) 4.596 17.487 ( -0.000 10.579 0.000) 10.579 ======================= Grid point 905 (429/429) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 1.94e-05 1.94e-05 3.36e-05 3.36e-05 6.53e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 0.000 -0.000 0.000) 0.000 0.810 ( 0.000 -0.000 -0.000) 0.000 1.056 ( 0.000 -0.000 -0.000) 0.000 1.349 ( 0.000 -0.000 -0.000) 0.000 1.802 ( 0.000 -0.000 -0.000) 0.000 1.859 ( 0.000 -0.000 -0.000) 0.000 2.339 ( 0.000 -0.000 -0.000) 0.000 2.560 ( 0.000 -0.000 -0.000) 0.000 2.948 ( 0.000 -0.000 -0.000) 0.000 3.102 ( 0.000 -0.000 0.000) 0.000 3.107 ( 0.000 -0.000 -0.000) 0.000 3.107 ( -0.000 0.000 0.000) 0.000 3.511 ( 0.000 -0.000 -0.000) 0.000 4.023 ( 0.000 -0.000 -0.000) 0.000 4.474 ( 0.000 -0.000 -0.000) 0.000 7.575 ( 0.000 -0.000 -0.000) 0.000 9.460 ( 0.000 -0.000 -0.000) 0.000 9.961 ( 0.000 -0.000 -0.000) 0.000 10.371 ( -0.000 0.000 -0.000) 0.000 15.406 ( 0.000 -0.000 -0.000) 0.000 17.705 ( 0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/32928 10.0 79.543 91.085 54.732 0.000 -14.418 -0.000 3/32928 20.0 24.053 27.947 12.125 0.000 -2.566 -0.000 3/32928 30.0 12.266 13.769 5.421 -0.000 -0.878 -0.000 3/32928 40.0 8.013 8.780 3.319 -0.000 -0.443 -0.000 3/32928 50.0 5.958 6.437 2.387 -0.000 -0.279 -0.000 3/32928 60.0 4.774 5.111 1.878 -0.000 -0.200 -0.000 3/32928 70.0 4.010 4.262 1.559 -0.000 -0.156 -0.000 3/32928 80.0 3.477 3.671 1.341 -0.000 -0.129 -0.000 3/32928 90.0 3.082 3.235 1.182 -0.000 -0.110 -0.000 3/32928 100.0 2.777 2.899 1.061 -0.000 -0.097 -0.000 3/32928 110.0 2.533 2.631 0.965 -0.000 -0.086 -0.000 3/32928 120.0 2.333 2.412 0.888 -0.000 -0.078 -0.000 3/32928 130.0 2.166 2.230 0.823 -0.000 -0.071 -0.000 3/32928 140.0 2.023 2.075 0.768 -0.000 -0.066 -0.000 3/32928 150.0 1.900 1.942 0.720 -0.000 -0.061 -0.000 3/32928 160.0 1.792 1.826 0.679 -0.000 -0.057 -0.000 3/32928 170.0 1.697 1.724 0.643 -0.000 -0.053 -0.000 3/32928 180.0 1.612 1.633 0.610 -0.000 -0.050 -0.000 3/32928 190.0 1.535 1.553 0.581 -0.000 -0.047 -0.000 3/32928 200.0 1.466 1.480 0.554 -0.000 -0.045 -0.000 3/32928 210.0 1.404 1.414 0.530 -0.000 -0.042 -0.000 3/32928 220.0 1.346 1.353 0.508 -0.000 -0.040 -0.000 3/32928 230.0 1.293 1.298 0.488 -0.000 -0.038 -0.000 3/32928 240.0 1.245 1.248 0.469 -0.000 -0.037 -0.000 3/32928 250.0 1.200 1.201 0.452 -0.000 -0.035 -0.000 3/32928 260.0 1.158 1.158 0.436 -0.000 -0.034 -0.000 3/32928 270.0 1.119 1.117 0.421 -0.000 -0.032 -0.000 3/32928 280.0 1.082 1.080 0.407 -0.000 -0.031 -0.000 3/32928 290.0 1.048 1.045 0.394 -0.000 -0.030 -0.000 3/32928 300.0 1.016 1.012 0.382 -0.000 -0.029 -0.000 3/32928 310.0 0.986 0.981 0.370 -0.000 -0.028 -0.000 3/32928 320.0 0.957 0.952 0.360 -0.000 -0.027 -0.000 3/32928 330.0 0.930 0.925 0.349 -0.000 -0.026 -0.000 3/32928 340.0 0.905 0.899 0.340 -0.000 -0.025 -0.000 3/32928 350.0 0.881 0.875 0.330 -0.000 -0.024 -0.000 3/32928 360.0 0.858 0.852 0.322 -0.000 -0.024 -0.000 3/32928 370.0 0.836 0.830 0.314 -0.000 -0.023 -0.000 3/32928 380.0 0.816 0.809 0.306 -0.000 -0.022 -0.000 3/32928 390.0 0.796 0.789 0.298 -0.000 -0.022 -0.000 3/32928 400.0 0.777 0.770 0.291 -0.000 -0.021 -0.000 3/32928 410.0 0.760 0.752 0.284 -0.000 -0.021 -0.000 3/32928 420.0 0.742 0.735 0.278 -0.000 -0.020 -0.000 3/32928 430.0 0.726 0.719 0.272 -0.000 -0.020 -0.000 3/32928 440.0 0.710 0.703 0.266 -0.000 -0.019 -0.000 3/32928 450.0 0.695 0.688 0.260 -0.000 -0.019 -0.000 3/32928 460.0 0.681 0.673 0.255 -0.000 -0.018 -0.000 3/32928 470.0 0.667 0.660 0.249 -0.000 -0.018 -0.000 3/32928 480.0 0.654 0.646 0.244 -0.000 -0.017 -0.000 3/32928 490.0 0.641 0.634 0.240 -0.000 -0.017 -0.000 3/32928 500.0 0.629 0.621 0.235 -0.000 -0.017 -0.000 3/32928 510.0 0.617 0.610 0.231 -0.000 -0.016 -0.000 3/32928 520.0 0.606 0.598 0.226 -0.000 -0.016 -0.000 3/32928 530.0 0.595 0.587 0.222 -0.000 -0.016 -0.000 3/32928 540.0 0.584 0.577 0.218 -0.000 -0.015 -0.000 3/32928 550.0 0.574 0.566 0.214 -0.000 -0.015 -0.000 3/32928 560.0 0.564 0.557 0.211 -0.000 -0.015 -0.000 3/32928 570.0 0.555 0.547 0.207 -0.000 -0.015 -0.000 3/32928 580.0 0.545 0.538 0.204 -0.000 -0.014 -0.000 3/32928 590.0 0.536 0.529 0.200 -0.000 -0.014 -0.000 3/32928 600.0 0.528 0.520 0.197 -0.000 -0.014 -0.000 3/32928 610.0 0.519 0.512 0.194 -0.000 -0.014 -0.000 3/32928 620.0 0.511 0.504 0.191 -0.000 -0.013 -0.000 3/32928 630.0 0.503 0.496 0.188 -0.000 -0.013 -0.000 3/32928 640.0 0.496 0.489 0.185 -0.000 -0.013 -0.000 3/32928 650.0 0.488 0.481 0.182 -0.000 -0.013 -0.000 3/32928 660.0 0.481 0.474 0.179 -0.000 -0.012 -0.000 3/32928 670.0 0.474 0.467 0.177 -0.000 -0.012 -0.000 3/32928 680.0 0.467 0.461 0.174 -0.000 -0.012 -0.000 3/32928 690.0 0.461 0.454 0.172 -0.000 -0.012 -0.000 3/32928 700.0 0.454 0.448 0.169 -0.000 -0.012 -0.000 3/32928 710.0 0.448 0.441 0.167 -0.000 -0.012 -0.000 3/32928 720.0 0.442 0.435 0.165 -0.000 -0.011 -0.000 3/32928 730.0 0.436 0.430 0.163 -0.000 -0.011 -0.000 3/32928 740.0 0.430 0.424 0.160 -0.000 -0.011 -0.000 3/32928 750.0 0.425 0.418 0.158 -0.000 -0.011 -0.000 3/32928 760.0 0.419 0.413 0.156 -0.000 -0.011 -0.000 3/32928 770.0 0.414 0.408 0.154 -0.000 -0.011 -0.000 3/32928 780.0 0.409 0.403 0.152 -0.000 -0.011 -0.000 3/32928 790.0 0.404 0.398 0.150 -0.000 -0.010 -0.000 3/32928 800.0 0.399 0.393 0.149 -0.000 -0.010 -0.000 3/32928 810.0 0.394 0.388 0.147 -0.000 -0.010 -0.000 3/32928 820.0 0.389 0.383 0.145 -0.000 -0.010 -0.000 3/32928 830.0 0.385 0.379 0.143 -0.000 -0.010 -0.000 3/32928 840.0 0.380 0.374 0.142 -0.000 -0.010 -0.000 3/32928 850.0 0.376 0.370 0.140 -0.000 -0.010 -0.000 3/32928 860.0 0.371 0.366 0.138 -0.000 -0.010 -0.000 3/32928 870.0 0.367 0.362 0.137 -0.000 -0.009 -0.000 3/32928 880.0 0.363 0.357 0.135 -0.000 -0.009 -0.000 3/32928 890.0 0.359 0.354 0.134 -0.000 -0.009 -0.000 3/32928 900.0 0.355 0.350 0.132 -0.000 -0.009 -0.000 3/32928 910.0 0.351 0.346 0.131 -0.000 -0.009 -0.000 3/32928 920.0 0.348 0.342 0.129 -0.000 -0.009 -0.000 3/32928 930.0 0.344 0.338 0.128 -0.000 -0.009 -0.000 3/32928 940.0 0.340 0.335 0.127 -0.000 -0.009 -0.000 3/32928 950.0 0.337 0.331 0.125 -0.000 -0.009 -0.000 3/32928 960.0 0.333 0.328 0.124 -0.000 -0.008 -0.000 3/32928 970.0 0.330 0.325 0.123 -0.000 -0.008 -0.000 3/32928 980.0 0.327 0.321 0.122 -0.000 -0.008 -0.000 3/32928 990.0 0.323 0.318 0.120 -0.000 -0.008 -0.000 3/32928 1000.0 0.320 0.315 0.119 -0.000 -0.008 -0.000 3/32928 Thermal conductivity related properties were written into "kappa-m14148.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:48:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|