----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:41:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.211576520548550 1.276854299472158 13.839966639999986 b -2.211576520548545 1.276854299472158 13.839966639999986 c 0.000000000000002 -2.553708598944321 13.839966639999986 Atomic positions (fractional): *1 Bi 0.57224274894158 0.57224274894158 0.57224274894158 208.980 2 Bi 0.42775725105842 0.42775725105842 0.42775725105842 208.980 *3 Te 0.86478292190091 0.86478292190091 0.86478292190091 127.600 *4 Te 0.71311323009641 0.71311323009641 0.71311323009641 127.600 5 Te 0.28688676990359 0.28688676990359 0.28688676990359 127.600 6 Te 0.13521707809909 0.13521707809909 0.13521707809909 127.600 *7 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.423153041097095 0.000000000000000 0.000000000000000 b -2.211576520548547 3.830562898416479 0.000000000000000 c 0.000000000000000 0.000000000000000 41.519899920000000 Atomic positions (fractional): *1 Bi 0.33333333333333 0.66666666666667 0.23890941560825 208.980 > 1 2 Bi 0.33333333333333 0.66666666666667 0.09442391772508 208.980 > 2 3 Bi 0.00000000000000 0.00000000000000 0.57224274894158 208.980 > 1 4 Bi 0.00000000000000 0.00000000000000 0.42775725105842 208.980 > 2 5 Bi 0.66666666666667 0.33333333333333 0.90557608227492 208.980 > 1 6 Bi 0.66666666666667 0.33333333333333 0.76109058439175 208.980 > 2 *7 Te 0.66666666666667 0.33333333333333 0.19811625523425 127.600 > 3 *8 Te 0.66666666666667 0.33333333333333 0.04644656342974 127.600 > 4 9 Te 0.00000000000000 0.00000000000000 0.28688676990359 127.600 > 5 10 Te 0.00000000000000 0.00000000000000 0.13521707809909 127.600 > 6 11 Te 0.33333333333333 0.66666666666667 0.53144958856758 127.600 > 3 12 Te 0.33333333333333 0.66666666666667 0.37977989676308 127.600 > 4 13 Te 0.66666666666667 0.33333333333333 0.62022010323692 127.600 > 5 14 Te 0.66666666666667 0.33333333333333 0.46855041143242 127.600 > 6 15 Te 0.00000000000000 0.00000000000000 0.86478292190091 127.600 > 3 16 Te 0.00000000000000 0.00000000000000 0.71311323009641 127.600 > 4 17 Te 0.33333333333333 0.66666666666667 0.95355343657026 127.600 > 5 18 Te 0.33333333333333 0.66666666666667 0.80188374476575 127.600 > 6 *19 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 7 20 Pb 0.66666666666667 0.33333333333333 0.33333333333333 207.200 > 7 21 Pb 0.33333333333333 0.66666666666667 0.66666666666667 207.200 > 7 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.846306082194189 0.000000000000000 0.000000000000000 b -4.423153041097094 7.661125796832958 0.000000000000000 c 0.000000000000000 0.000000000000000 41.519899920000000 Atomic positions (fractional): *1 Bi 0.16666666666667 0.33333333333333 0.23890941560825 208.980 > 1 2 Bi 0.66666666666667 0.33333333333333 0.23890941560825 208.980 > 1 3 Bi 0.16666666666667 0.83333333333333 0.23890941560825 208.980 > 1 4 Bi 0.66666666666667 0.83333333333333 0.23890941560825 208.980 > 1 5 Bi 0.16666666666667 0.33333333333333 0.09442391772508 208.980 > 2 6 Bi 0.66666666666667 0.33333333333333 0.09442391772508 208.980 > 2 7 Bi 0.16666666666667 0.83333333333333 0.09442391772508 208.980 > 2 8 Bi 0.66666666666667 0.83333333333333 0.09442391772508 208.980 > 2 9 Bi 0.00000000000000 0.00000000000000 0.57224274894158 208.980 > 1 10 Bi 0.50000000000000 0.00000000000000 0.57224274894158 208.980 > 1 11 Bi 0.00000000000000 0.50000000000000 0.57224274894158 208.980 > 1 12 Bi 0.50000000000000 0.50000000000000 0.57224274894158 208.980 > 1 13 Bi 0.00000000000000 0.00000000000000 0.42775725105842 208.980 > 2 14 Bi 0.50000000000000 0.00000000000000 0.42775725105842 208.980 > 2 15 Bi 0.00000000000000 0.50000000000000 0.42775725105842 208.980 > 2 16 Bi 0.50000000000000 0.50000000000000 0.42775725105842 208.980 > 2 17 Bi 0.33333333333333 0.16666666666667 0.90557608227492 208.980 > 1 18 Bi 0.83333333333333 0.16666666666667 0.90557608227492 208.980 > 1 19 Bi 0.33333333333333 0.66666666666667 0.90557608227492 208.980 > 1 20 Bi 0.83333333333333 0.66666666666667 0.90557608227492 208.980 > 1 21 Bi 0.33333333333333 0.16666666666667 0.76109058439175 208.980 > 2 22 Bi 0.83333333333333 0.16666666666667 0.76109058439175 208.980 > 2 23 Bi 0.33333333333333 0.66666666666667 0.76109058439175 208.980 > 2 24 Bi 0.83333333333333 0.66666666666667 0.76109058439175 208.980 > 2 *25 Te 0.33333333333333 0.16666666666667 0.19811625523425 127.600 > 3 26 Te 0.83333333333333 0.16666666666667 0.19811625523425 127.600 > 3 27 Te 0.33333333333333 0.66666666666667 0.19811625523425 127.600 > 3 28 Te 0.83333333333333 0.66666666666667 0.19811625523425 127.600 > 3 *29 Te 0.33333333333333 0.16666666666667 0.04644656342974 127.600 > 4 30 Te 0.83333333333333 0.16666666666667 0.04644656342974 127.600 > 4 31 Te 0.33333333333333 0.66666666666667 0.04644656342974 127.600 > 4 32 Te 0.83333333333333 0.66666666666667 0.04644656342974 127.600 > 4 33 Te 0.00000000000000 0.00000000000000 0.28688676990359 127.600 > 5 34 Te 0.50000000000000 0.00000000000000 0.28688676990359 127.600 > 5 35 Te 0.00000000000000 0.50000000000000 0.28688676990359 127.600 > 5 36 Te 0.50000000000000 0.50000000000000 0.28688676990359 127.600 > 5 37 Te 0.00000000000000 0.00000000000000 0.13521707809909 127.600 > 6 38 Te 0.50000000000000 0.00000000000000 0.13521707809909 127.600 > 6 39 Te 0.00000000000000 0.50000000000000 0.13521707809909 127.600 > 6 40 Te 0.50000000000000 0.50000000000000 0.13521707809909 127.600 > 6 41 Te 0.16666666666667 0.33333333333333 0.53144958856758 127.600 > 3 42 Te 0.66666666666667 0.33333333333333 0.53144958856758 127.600 > 3 43 Te 0.16666666666667 0.83333333333333 0.53144958856758 127.600 > 3 44 Te 0.66666666666667 0.83333333333333 0.53144958856758 127.600 > 3 45 Te 0.16666666666667 0.33333333333333 0.37977989676308 127.600 > 4 46 Te 0.66666666666667 0.33333333333333 0.37977989676308 127.600 > 4 47 Te 0.16666666666667 0.83333333333333 0.37977989676308 127.600 > 4 48 Te 0.66666666666667 0.83333333333333 0.37977989676308 127.600 > 4 49 Te 0.33333333333333 0.16666666666667 0.62022010323692 127.600 > 5 50 Te 0.83333333333333 0.16666666666667 0.62022010323692 127.600 > 5 51 Te 0.33333333333333 0.66666666666667 0.62022010323692 127.600 > 5 52 Te 0.83333333333333 0.66666666666667 0.62022010323692 127.600 > 5 53 Te 0.33333333333333 0.16666666666667 0.46855041143242 127.600 > 6 54 Te 0.83333333333333 0.16666666666667 0.46855041143242 127.600 > 6 55 Te 0.33333333333333 0.66666666666667 0.46855041143242 127.600 > 6 56 Te 0.83333333333333 0.66666666666667 0.46855041143242 127.600 > 6 57 Te 0.00000000000000 0.00000000000000 0.86478292190091 127.600 > 3 58 Te 0.50000000000000 0.00000000000000 0.86478292190091 127.600 > 3 59 Te 0.00000000000000 0.50000000000000 0.86478292190091 127.600 > 3 60 Te 0.50000000000000 0.50000000000000 0.86478292190091 127.600 > 3 61 Te 0.00000000000000 0.00000000000000 0.71311323009641 127.600 > 4 62 Te 0.50000000000000 0.00000000000000 0.71311323009641 127.600 > 4 63 Te 0.00000000000000 0.50000000000000 0.71311323009641 127.600 > 4 64 Te 0.50000000000000 0.50000000000000 0.71311323009641 127.600 > 4 65 Te 0.16666666666667 0.33333333333333 0.95355343657026 127.600 > 5 66 Te 0.66666666666667 0.33333333333333 0.95355343657026 127.600 > 5 67 Te 0.16666666666667 0.83333333333333 0.95355343657026 127.600 > 5 68 Te 0.66666666666667 0.83333333333333 0.95355343657026 127.600 > 5 69 Te 0.16666666666667 0.33333333333333 0.80188374476575 127.600 > 6 70 Te 0.66666666666667 0.33333333333333 0.80188374476575 127.600 > 6 71 Te 0.16666666666667 0.83333333333333 0.80188374476575 127.600 > 6 72 Te 0.66666666666667 0.83333333333333 0.80188374476575 127.600 > 6 *73 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 7 74 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 7 75 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 > 7 76 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 > 7 77 Pb 0.33333333333333 0.16666666666667 0.33333333333333 207.200 > 7 78 Pb 0.83333333333333 0.16666666666667 0.33333333333333 207.200 > 7 79 Pb 0.33333333333333 0.66666666666667 0.33333333333333 207.200 > 7 80 Pb 0.83333333333333 0.66666666666667 0.33333333333333 207.200 > 7 81 Pb 0.16666666666667 0.33333333333333 0.66666666666667 207.200 > 7 82 Pb 0.66666666666667 0.33333333333333 0.66666666666667 207.200 > 7 83 Pb 0.16666666666667 0.83333333333333 0.66666666666667 207.200 > 7 84 Pb 0.66666666666667 0.83333333333333 0.66666666666667 207.200 > 7 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 37.0281212 -0.0000000 0.0000000 0.0000000 37.0281212 0.0000000 0.0000000 0.0000000 36.4511671 -------------------------- Born effective charges -------------------------- 1 Bi 7.6210757 -0.0000000 0.0000000 0.0000000 7.6210757 0.0000000 0.0000000 0.0000000 3.4485480 2 Bi 7.6210757 -0.0000000 0.0000000 0.0000000 7.6210757 0.0000000 0.0000000 0.0000000 3.4485480 3 Te -4.3710998 -0.0000000 0.0000000 0.0000000 -4.3710998 0.0000000 0.0000000 0.0000000 -0.9195001 4 Te -6.1997479 0.0000000 0.0000000 0.0000000 -6.1997479 0.0000000 0.0000000 0.0000000 -5.3296514 5 Te -6.1997479 0.0000000 0.0000000 0.0000000 -6.1997479 0.0000000 0.0000000 0.0000000 -5.3296514 6 Te -4.3710998 -0.0000000 0.0000000 0.0000000 -4.3710998 0.0000000 0.0000000 0.0000000 -0.9195001 7 Pb 5.8995440 -0.0000000 0.0000000 0.0000000 5.8995440 0.0000000 0.0000000 0.0000000 5.6012069 ---------------------------------------------------------------------------- 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: 252/252 Permutation basis: 3486/3486 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 294 Number of blocks in projector: 324 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 88 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 74 Use standard eigh solver. Tree of FC basis block matrices: - (294, 286), data: False |-- (74, 74), data: True |-- (88, 84), data: True |-- (132, 128), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 80 / 80 - Time: 0.139 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.145 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 252/252 Permutation basis: 3486/3486 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 294 Number of blocks in projector: 324 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 88 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 74 Use standard eigh solver. Tree of FC basis block matrices: - (294, 286), data: False |-- (74, 74), data: True |-- (88, 84), data: True |-- (132, 128), 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 21:41:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:41:07]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.211576520548550 1.276854299472158 13.839966639999986 b -2.211576520548545 1.276854299472158 13.839966639999986 c 0.000000000000002 -2.553708598944321 13.839966639999986 Atomic positions (fractional): 1 Bi 0.57224274894158 0.57224274894158 0.57224274894158 208.980 2 Bi 0.42775725105842 0.42775725105842 0.42775725105842 208.980 3 Te 0.86478292190091 0.86478292190091 0.86478292190091 127.600 4 Te 0.71311323009641 0.71311323009641 0.71311323009641 127.600 5 Te 0.28688676990359 0.28688676990359 0.28688676990359 127.600 6 Te 0.13521707809909 0.13521707809909 0.13521707809909 127.600 7 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.846306082194189 0.000000000000000 0.000000000000000 b -4.423153041097094 7.661125796832958 0.000000000000000 c 0.000000000000000 0.000000000000000 41.519899920000000 Atomic positions (fractional): 1 Bi 0.16666666666667 0.33333333333333 0.23890941560825 208.980 > 1 2 Bi 0.66666666666667 0.33333333333333 0.23890941560825 208.980 > 1 3 Bi 0.16666666666667 0.83333333333333 0.23890941560825 208.980 > 1 4 Bi 0.66666666666667 0.83333333333333 0.23890941560825 208.980 > 1 5 Bi 0.16666666666667 0.33333333333333 0.09442391772508 208.980 > 5 6 Bi 0.66666666666667 0.33333333333333 0.09442391772508 208.980 > 5 7 Bi 0.16666666666667 0.83333333333333 0.09442391772508 208.980 > 5 8 Bi 0.66666666666667 0.83333333333333 0.09442391772508 208.980 > 5 9 Bi 0.00000000000000 0.00000000000000 0.57224274894158 208.980 > 1 10 Bi 0.50000000000000 0.00000000000000 0.57224274894158 208.980 > 1 11 Bi 0.00000000000000 0.50000000000000 0.57224274894158 208.980 > 1 12 Bi 0.50000000000000 0.50000000000000 0.57224274894158 208.980 > 1 13 Bi 0.00000000000000 0.00000000000000 0.42775725105842 208.980 > 5 14 Bi 0.50000000000000 0.00000000000000 0.42775725105842 208.980 > 5 15 Bi 0.00000000000000 0.50000000000000 0.42775725105842 208.980 > 5 16 Bi 0.50000000000000 0.50000000000000 0.42775725105842 208.980 > 5 17 Bi 0.33333333333333 0.16666666666667 0.90557608227492 208.980 > 1 18 Bi 0.83333333333333 0.16666666666667 0.90557608227492 208.980 > 1 19 Bi 0.33333333333333 0.66666666666667 0.90557608227492 208.980 > 1 20 Bi 0.83333333333333 0.66666666666667 0.90557608227492 208.980 > 1 21 Bi 0.33333333333333 0.16666666666667 0.76109058439175 208.980 > 5 22 Bi 0.83333333333333 0.16666666666667 0.76109058439175 208.980 > 5 23 Bi 0.33333333333333 0.66666666666667 0.76109058439175 208.980 > 5 24 Bi 0.83333333333333 0.66666666666667 0.76109058439175 208.980 > 5 25 Te 0.33333333333333 0.16666666666667 0.19811625523425 127.600 > 25 26 Te 0.83333333333333 0.16666666666667 0.19811625523425 127.600 > 25 27 Te 0.33333333333333 0.66666666666667 0.19811625523425 127.600 > 25 28 Te 0.83333333333333 0.66666666666667 0.19811625523425 127.600 > 25 29 Te 0.33333333333333 0.16666666666667 0.04644656342974 127.600 > 29 30 Te 0.83333333333333 0.16666666666667 0.04644656342974 127.600 > 29 31 Te 0.33333333333333 0.66666666666667 0.04644656342974 127.600 > 29 32 Te 0.83333333333333 0.66666666666667 0.04644656342974 127.600 > 29 33 Te 0.00000000000000 0.00000000000000 0.28688676990359 127.600 > 33 34 Te 0.50000000000000 0.00000000000000 0.28688676990359 127.600 > 33 35 Te 0.00000000000000 0.50000000000000 0.28688676990359 127.600 > 33 36 Te 0.50000000000000 0.50000000000000 0.28688676990359 127.600 > 33 37 Te 0.00000000000000 0.00000000000000 0.13521707809909 127.600 > 37 38 Te 0.50000000000000 0.00000000000000 0.13521707809909 127.600 > 37 39 Te 0.00000000000000 0.50000000000000 0.13521707809909 127.600 > 37 40 Te 0.50000000000000 0.50000000000000 0.13521707809909 127.600 > 37 41 Te 0.16666666666667 0.33333333333333 0.53144958856758 127.600 > 25 42 Te 0.66666666666667 0.33333333333333 0.53144958856758 127.600 > 25 43 Te 0.16666666666667 0.83333333333333 0.53144958856758 127.600 > 25 44 Te 0.66666666666667 0.83333333333333 0.53144958856758 127.600 > 25 45 Te 0.16666666666667 0.33333333333333 0.37977989676308 127.600 > 29 46 Te 0.66666666666667 0.33333333333333 0.37977989676308 127.600 > 29 47 Te 0.16666666666667 0.83333333333333 0.37977989676308 127.600 > 29 48 Te 0.66666666666667 0.83333333333333 0.37977989676308 127.600 > 29 49 Te 0.33333333333333 0.16666666666667 0.62022010323692 127.600 > 33 50 Te 0.83333333333333 0.16666666666667 0.62022010323692 127.600 > 33 51 Te 0.33333333333333 0.66666666666667 0.62022010323692 127.600 > 33 52 Te 0.83333333333333 0.66666666666667 0.62022010323692 127.600 > 33 53 Te 0.33333333333333 0.16666666666667 0.46855041143242 127.600 > 37 54 Te 0.83333333333333 0.16666666666667 0.46855041143242 127.600 > 37 55 Te 0.33333333333333 0.66666666666667 0.46855041143242 127.600 > 37 56 Te 0.83333333333333 0.66666666666667 0.46855041143242 127.600 > 37 57 Te 0.00000000000000 0.00000000000000 0.86478292190091 127.600 > 25 58 Te 0.50000000000000 0.00000000000000 0.86478292190091 127.600 > 25 59 Te 0.00000000000000 0.50000000000000 0.86478292190091 127.600 > 25 60 Te 0.50000000000000 0.50000000000000 0.86478292190091 127.600 > 25 61 Te 0.00000000000000 0.00000000000000 0.71311323009641 127.600 > 29 62 Te 0.50000000000000 0.00000000000000 0.71311323009641 127.600 > 29 63 Te 0.00000000000000 0.50000000000000 0.71311323009641 127.600 > 29 64 Te 0.50000000000000 0.50000000000000 0.71311323009641 127.600 > 29 65 Te 0.16666666666667 0.33333333333333 0.95355343657026 127.600 > 33 66 Te 0.66666666666667 0.33333333333333 0.95355343657026 127.600 > 33 67 Te 0.16666666666667 0.83333333333333 0.95355343657026 127.600 > 33 68 Te 0.66666666666667 0.83333333333333 0.95355343657026 127.600 > 33 69 Te 0.16666666666667 0.33333333333333 0.80188374476575 127.600 > 37 70 Te 0.66666666666667 0.33333333333333 0.80188374476575 127.600 > 37 71 Te 0.16666666666667 0.83333333333333 0.80188374476575 127.600 > 37 72 Te 0.66666666666667 0.83333333333333 0.80188374476575 127.600 > 37 73 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 73 74 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 73 75 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 > 73 76 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 > 73 77 Pb 0.33333333333333 0.16666666666667 0.33333333333333 207.200 > 73 78 Pb 0.83333333333333 0.16666666666667 0.33333333333333 207.200 > 73 79 Pb 0.33333333333333 0.66666666666667 0.33333333333333 207.200 > 73 80 Pb 0.83333333333333 0.66666666666667 0.33333333333333 207.200 > 73 81 Pb 0.16666666666667 0.33333333333333 0.66666666666667 207.200 > 73 82 Pb 0.66666666666667 0.33333333333333 0.66666666666667 207.200 > 73 83 Pb 0.16666666666667 0.83333333333333 0.66666666666667 207.200 > 73 84 Pb 0.66666666666667 0.83333333333333 0.66666666666667 207.200 > 73 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 37.0281212 -0.0000000 0.0000000 0.0000000 37.0281212 0.0000000 0.0000000 0.0000000 36.4511671 -------------------------- Born effective charges -------------------------- 1 Bi 7.6210757 -0.0000000 0.0000000 0.0000000 7.6210757 0.0000000 0.0000000 0.0000000 3.4485480 2 Bi 7.6210757 -0.0000000 0.0000000 0.0000000 7.6210757 0.0000000 0.0000000 0.0000000 3.4485480 3 Te -4.3710998 -0.0000000 0.0000000 0.0000000 -4.3710998 0.0000000 0.0000000 0.0000000 -0.9195001 4 Te -6.1997479 0.0000000 0.0000000 0.0000000 -6.1997479 0.0000000 0.0000000 0.0000000 -5.3296514 5 Te -6.1997479 0.0000000 0.0000000 0.0000000 -6.1997479 0.0000000 0.0000000 0.0000000 -5.3296514 6 Te -4.3710998 -0.0000000 0.0000000 0.0000000 -4.3710998 0.0000000 0.0000000 0.0000000 -0.9195001 7 Pb 5.8995440 -0.0000000 0.0000000 0.0000000 5.8995440 0.0000000 0.0000000 0.0000000 5.6012069 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000023 (zzz) 0.00000023 (zzz) 0.00000023 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) 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 21:41:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:41:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.211576520548550 1.276854299472158 13.839966639999986 b -2.211576520548545 1.276854299472158 13.839966639999986 c 0.000000000000002 -2.553708598944321 13.839966639999986 Atomic positions (fractional): 1 Bi 0.57224274894158 0.57224274894158 0.57224274894158 208.980 2 Bi 0.42775725105842 0.42775725105842 0.42775725105842 208.980 3 Te 0.86478292190091 0.86478292190091 0.86478292190091 127.600 4 Te 0.71311323009641 0.71311323009641 0.71311323009641 127.600 5 Te 0.28688676990359 0.28688676990359 0.28688676990359 127.600 6 Te 0.13521707809909 0.13521707809909 0.13521707809909 127.600 7 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.846306082194189 0.000000000000000 0.000000000000000 b -4.423153041097094 7.661125796832958 0.000000000000000 c 0.000000000000000 0.000000000000000 41.519899920000000 Atomic positions (fractional): 1 Bi 0.16666666666667 0.33333333333333 0.23890941560825 208.980 > 1 2 Bi 0.66666666666667 0.33333333333333 0.23890941560825 208.980 > 1 3 Bi 0.16666666666667 0.83333333333333 0.23890941560825 208.980 > 1 4 Bi 0.66666666666667 0.83333333333333 0.23890941560825 208.980 > 1 5 Bi 0.16666666666667 0.33333333333333 0.09442391772508 208.980 > 5 6 Bi 0.66666666666667 0.33333333333333 0.09442391772508 208.980 > 5 7 Bi 0.16666666666667 0.83333333333333 0.09442391772508 208.980 > 5 8 Bi 0.66666666666667 0.83333333333333 0.09442391772508 208.980 > 5 9 Bi 0.00000000000000 0.00000000000000 0.57224274894158 208.980 > 1 10 Bi 0.50000000000000 0.00000000000000 0.57224274894158 208.980 > 1 11 Bi 0.00000000000000 0.50000000000000 0.57224274894158 208.980 > 1 12 Bi 0.50000000000000 0.50000000000000 0.57224274894158 208.980 > 1 13 Bi 0.00000000000000 0.00000000000000 0.42775725105842 208.980 > 5 14 Bi 0.50000000000000 0.00000000000000 0.42775725105842 208.980 > 5 15 Bi 0.00000000000000 0.50000000000000 0.42775725105842 208.980 > 5 16 Bi 0.50000000000000 0.50000000000000 0.42775725105842 208.980 > 5 17 Bi 0.33333333333333 0.16666666666667 0.90557608227492 208.980 > 1 18 Bi 0.83333333333333 0.16666666666667 0.90557608227492 208.980 > 1 19 Bi 0.33333333333333 0.66666666666667 0.90557608227492 208.980 > 1 20 Bi 0.83333333333333 0.66666666666667 0.90557608227492 208.980 > 1 21 Bi 0.33333333333333 0.16666666666667 0.76109058439175 208.980 > 5 22 Bi 0.83333333333333 0.16666666666667 0.76109058439175 208.980 > 5 23 Bi 0.33333333333333 0.66666666666667 0.76109058439175 208.980 > 5 24 Bi 0.83333333333333 0.66666666666667 0.76109058439175 208.980 > 5 25 Te 0.33333333333333 0.16666666666667 0.19811625523425 127.600 > 25 26 Te 0.83333333333333 0.16666666666667 0.19811625523425 127.600 > 25 27 Te 0.33333333333333 0.66666666666667 0.19811625523425 127.600 > 25 28 Te 0.83333333333333 0.66666666666667 0.19811625523425 127.600 > 25 29 Te 0.33333333333333 0.16666666666667 0.04644656342974 127.600 > 29 30 Te 0.83333333333333 0.16666666666667 0.04644656342974 127.600 > 29 31 Te 0.33333333333333 0.66666666666667 0.04644656342974 127.600 > 29 32 Te 0.83333333333333 0.66666666666667 0.04644656342974 127.600 > 29 33 Te 0.00000000000000 0.00000000000000 0.28688676990359 127.600 > 33 34 Te 0.50000000000000 0.00000000000000 0.28688676990359 127.600 > 33 35 Te 0.00000000000000 0.50000000000000 0.28688676990359 127.600 > 33 36 Te 0.50000000000000 0.50000000000000 0.28688676990359 127.600 > 33 37 Te 0.00000000000000 0.00000000000000 0.13521707809909 127.600 > 37 38 Te 0.50000000000000 0.00000000000000 0.13521707809909 127.600 > 37 39 Te 0.00000000000000 0.50000000000000 0.13521707809909 127.600 > 37 40 Te 0.50000000000000 0.50000000000000 0.13521707809909 127.600 > 37 41 Te 0.16666666666667 0.33333333333333 0.53144958856758 127.600 > 25 42 Te 0.66666666666667 0.33333333333333 0.53144958856758 127.600 > 25 43 Te 0.16666666666667 0.83333333333333 0.53144958856758 127.600 > 25 44 Te 0.66666666666667 0.83333333333333 0.53144958856758 127.600 > 25 45 Te 0.16666666666667 0.33333333333333 0.37977989676308 127.600 > 29 46 Te 0.66666666666667 0.33333333333333 0.37977989676308 127.600 > 29 47 Te 0.16666666666667 0.83333333333333 0.37977989676308 127.600 > 29 48 Te 0.66666666666667 0.83333333333333 0.37977989676308 127.600 > 29 49 Te 0.33333333333333 0.16666666666667 0.62022010323692 127.600 > 33 50 Te 0.83333333333333 0.16666666666667 0.62022010323692 127.600 > 33 51 Te 0.33333333333333 0.66666666666667 0.62022010323692 127.600 > 33 52 Te 0.83333333333333 0.66666666666667 0.62022010323692 127.600 > 33 53 Te 0.33333333333333 0.16666666666667 0.46855041143242 127.600 > 37 54 Te 0.83333333333333 0.16666666666667 0.46855041143242 127.600 > 37 55 Te 0.33333333333333 0.66666666666667 0.46855041143242 127.600 > 37 56 Te 0.83333333333333 0.66666666666667 0.46855041143242 127.600 > 37 57 Te 0.00000000000000 0.00000000000000 0.86478292190091 127.600 > 25 58 Te 0.50000000000000 0.00000000000000 0.86478292190091 127.600 > 25 59 Te 0.00000000000000 0.50000000000000 0.86478292190091 127.600 > 25 60 Te 0.50000000000000 0.50000000000000 0.86478292190091 127.600 > 25 61 Te 0.00000000000000 0.00000000000000 0.71311323009641 127.600 > 29 62 Te 0.50000000000000 0.00000000000000 0.71311323009641 127.600 > 29 63 Te 0.00000000000000 0.50000000000000 0.71311323009641 127.600 > 29 64 Te 0.50000000000000 0.50000000000000 0.71311323009641 127.600 > 29 65 Te 0.16666666666667 0.33333333333333 0.95355343657026 127.600 > 33 66 Te 0.66666666666667 0.33333333333333 0.95355343657026 127.600 > 33 67 Te 0.16666666666667 0.83333333333333 0.95355343657026 127.600 > 33 68 Te 0.66666666666667 0.83333333333333 0.95355343657026 127.600 > 33 69 Te 0.16666666666667 0.33333333333333 0.80188374476575 127.600 > 37 70 Te 0.66666666666667 0.33333333333333 0.80188374476575 127.600 > 37 71 Te 0.16666666666667 0.83333333333333 0.80188374476575 127.600 > 37 72 Te 0.66666666666667 0.83333333333333 0.80188374476575 127.600 > 37 73 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 73 74 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 73 75 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 > 73 76 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 > 73 77 Pb 0.33333333333333 0.16666666666667 0.33333333333333 207.200 > 73 78 Pb 0.83333333333333 0.16666666666667 0.33333333333333 207.200 > 73 79 Pb 0.33333333333333 0.66666666666667 0.33333333333333 207.200 > 73 80 Pb 0.83333333333333 0.66666666666667 0.33333333333333 207.200 > 73 81 Pb 0.16666666666667 0.33333333333333 0.66666666666667 207.200 > 73 82 Pb 0.66666666666667 0.33333333333333 0.66666666666667 207.200 > 73 83 Pb 0.16666666666667 0.83333333333333 0.66666666666667 207.200 > 73 84 Pb 0.66666666666667 0.83333333333333 0.66666666666667 207.200 > 73 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 37.0281212 -0.0000000 0.0000000 0.0000000 37.0281212 0.0000000 0.0000000 0.0000000 36.4511671 -------------------------- Born effective charges -------------------------- 1 Bi 7.6210757 -0.0000000 0.0000000 0.0000000 7.6210757 0.0000000 0.0000000 0.0000000 3.4485480 2 Bi 7.6210757 -0.0000000 0.0000000 0.0000000 7.6210757 0.0000000 0.0000000 0.0000000 3.4485480 3 Te -4.3710998 -0.0000000 0.0000000 0.0000000 -4.3710998 0.0000000 0.0000000 0.0000000 -0.9195001 4 Te -6.1997479 0.0000000 0.0000000 0.0000000 -6.1997479 0.0000000 0.0000000 0.0000000 -5.3296514 5 Te -6.1997479 0.0000000 0.0000000 0.0000000 -6.1997479 0.0000000 0.0000000 0.0000000 -5.3296514 6 Te -4.3710998 -0.0000000 0.0000000 0.0000000 -4.3710998 0.0000000 0.0000000 0.0000000 -0.9195001 7 Pb 5.8995440 -0.0000000 0.0000000 0.0000000 5.8995440 0.0000000 0.0000000 0.0000000 5.6012069 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000023 (zzz) 0.00000023 (zzz) 0.00000023 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 13 13 ] 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: 0.67, Number of G-points: 271, Lambda: 0.43 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/231) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 231 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 0.964 ( 0.000 0.000 0.000) 0.000 0.964 ( 0.000 0.000 0.000) 0.000 1.411 ( 0.000 0.000 0.000) 0.000 1.461 ( 0.000 0.000 0.000) 0.000 1.461 ( 0.000 0.000 0.000) 0.000 1.971 ( 0.000 0.000 0.000) 0.000 1.971 ( 0.000 0.000 0.000) 0.000 2.235 ( 0.000 0.000 0.000) 0.000 2.840 ( 0.000 0.000 0.000) 0.000 2.840 ( 0.000 0.000 0.000) 0.000 3.142 ( 0.000 0.000 0.000) 0.000 3.171 ( 0.000 0.000 0.000) 0.000 3.171 ( 0.000 0.000 0.000) 0.000 3.297 ( 0.000 0.000 0.000) 0.000 3.297 ( 0.000 0.000 0.000) 0.000 3.401 ( 0.000 0.000 0.000) 0.000 4.068 ( 0.000 0.000 0.000) 0.000 4.221 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/231) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.340 ( 14.818 8.555 -2.443) 17.284 0.426 ( 17.617 10.171 -1.318) 20.385 0.588 ( 24.225 13.987 3.693) 28.216 1.003 ( 3.107 1.794 -0.061) 3.588 1.053 ( 6.911 3.990 -1.967) 8.219 1.368 ( -1.967 -1.136 0.033) 2.272 1.450 ( -0.928 -0.536 0.121) 1.079 1.516 ( 3.326 1.920 -0.709) 3.906 2.035 ( 5.099 2.944 2.267) 6.310 2.216 ( -1.551 -0.895 -0.279) 1.812 2.814 ( -2.011 -1.161 -1.115) 2.576 2.839 ( -0.109 -0.063 -1.577) 1.582 3.081 ( 2.695 1.556 -6.582) 7.281 3.121 ( -1.822 -1.052 -1.990) 2.896 3.146 ( -2.125 -1.227 -0.390) 2.484 3.281 ( -1.289 -0.744 0.086) 1.491 3.326 ( 2.226 1.285 -0.930) 2.733 3.362 ( -3.368 -1.944 4.031) 5.601 3.588 ( 0.227 0.131 -2.315) 2.330 4.018 ( -4.098 -2.366 -0.978) 4.832 4.166 ( -4.705 -2.717 1.399) 5.611 ======================= Grid point 2 (3/231) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 13.305 7.681 -2.879) 15.630 0.795 ( 14.168 8.180 -2.106) 16.495 1.092 ( 4.028 2.326 0.818) 4.722 1.099 ( 17.009 9.820 2.324) 19.777 1.225 ( 7.909 4.566 -5.547) 10.685 1.368 ( 3.267 1.886 4.788) 6.096 1.422 ( -1.316 -0.760 -0.081) 1.522 1.595 ( 3.576 2.065 -1.301) 4.330 2.168 ( -2.130 -1.230 -1.768) 3.029 2.201 ( 8.403 4.851 3.203) 10.218 2.756 ( -2.477 -1.430 -1.378) 3.175 2.821 ( -1.262 -0.729 -2.540) 2.928 3.053 ( -3.599 -2.078 -3.643) 5.526 3.071 ( -4.228 -2.441 -0.883) 4.961 3.109 ( -0.413 -0.239 -0.967) 1.079 3.241 ( -2.159 -1.247 0.154) 2.498 3.266 ( -4.572 -2.640 3.116) 6.130 3.388 ( 2.136 1.233 0.944) 2.641 3.587 ( -0.020 -0.012 -3.243) 3.243 3.889 ( -6.277 -3.624 -2.452) 7.652 4.025 ( -7.185 -4.148 2.488) 8.661 ======================= Grid point 3 (4/231) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 10.236 5.910 -4.100) 12.510 1.054 ( 7.663 4.424 -2.735) 9.262 1.172 ( 2.701 1.560 1.734) 3.568 1.254 ( 1.006 0.581 2.630) 2.875 1.406 ( 6.045 3.490 -1.682) 7.180 1.407 ( 0.702 0.405 -0.216) 0.839 1.541 ( 4.313 2.490 0.214) 4.984 1.735 ( 11.258 6.500 -0.361) 13.005 2.129 ( -0.539 -0.311 -2.104) 2.194 2.413 ( 8.818 5.091 2.291) 10.436 2.704 ( -1.843 -1.064 -0.725) 2.248 2.770 ( -2.653 -1.532 -2.335) 3.852 2.937 ( -5.459 -3.152 -6.494) 9.050 2.958 ( -4.885 -2.820 -0.947) 5.719 3.055 ( -3.655 -2.110 1.147) 4.373 3.180 ( -3.193 -1.844 2.206) 4.297 3.187 ( -2.320 -1.339 0.177) 2.685 3.402 ( -1.434 -0.828 0.987) 1.927 3.546 ( -4.209 -2.430 -0.449) 4.880 3.763 ( -3.030 -1.749 -2.695) 4.417 3.870 ( -5.934 -3.426 1.987) 7.135 ======================= Grid point 4 (5/231) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -2.444 -1.411 -0.041) 2.823 1.124 ( 6.458 3.729 -4.601) 8.763 1.227 ( -3.655 -2.110 4.171) 5.933 1.258 ( 3.781 2.183 -1.613) 4.654 1.464 ( 3.726 2.151 0.587) 4.343 1.492 ( 0.466 0.269 -2.517) 2.574 1.582 ( 3.215 1.856 -1.318) 3.939 1.961 ( 4.506 2.601 -3.320) 6.172 2.157 ( 3.520 2.032 2.113) 4.581 2.581 ( 3.182 1.837 -0.747) 3.749 2.659 ( -0.724 -0.418 0.660) 1.065 2.695 ( -3.392 -1.958 -1.720) 4.278 2.800 ( -4.512 -2.605 -4.907) 7.157 2.881 ( -0.762 -0.440 0.249) 0.914 2.977 ( -2.751 -1.588 0.147) 3.180 3.129 ( -1.399 -0.808 0.636) 1.736 3.140 ( -1.677 -0.968 0.266) 1.955 3.326 ( -4.719 -2.725 -0.318) 5.458 3.408 ( -6.391 -3.690 1.472) 7.525 3.728 ( -0.906 -0.523 0.382) 1.114 3.774 ( -2.474 -1.429 -0.525) 2.905 ======================= Grid point 5 (6/231) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -3.573 -2.063 -0.142) 4.128 1.057 ( -7.676 -4.432 1.710) 9.027 1.283 ( 5.305 3.063 -5.086) 7.962 1.317 ( 1.724 0.995 -1.101) 2.274 1.453 ( -2.231 -1.288 -1.089) 2.797 1.551 ( 3.149 1.818 0.376) 3.655 1.682 ( 4.163 2.404 0.301) 4.817 1.942 ( -3.545 -2.047 -3.633) 5.473 2.226 ( 0.569 0.328 3.202) 3.269 2.506 ( -4.962 -2.865 -1.387) 5.895 2.616 ( -2.965 -1.712 -1.271) 3.652 2.728 ( 3.062 1.768 0.588) 3.584 2.748 ( 0.424 0.245 -1.821) 1.886 2.913 ( 2.425 1.400 0.598) 2.864 2.938 ( -0.611 -0.353 -0.127) 0.717 3.092 ( -2.641 -1.524 -1.944) 3.616 3.114 ( -0.627 -0.362 0.404) 0.829 3.240 ( -1.087 -0.628 -0.361) 1.307 3.289 ( -4.013 -2.317 2.232) 5.143 3.702 ( -1.226 -0.708 1.109) 1.798 3.736 ( -1.214 -0.701 -1.061) 1.758 ======================= Grid point 6 (7/231) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( -3.945 -2.278 0.291) 4.565 0.950 ( -1.573 -0.908 -0.141) 1.821 1.342 ( 0.550 0.317 -0.293) 0.699 1.368 ( 2.207 1.274 -1.859) 3.154 1.411 ( -1.032 -0.596 -0.752) 1.409 1.601 ( 1.107 0.639 0.078) 1.281 1.751 ( 1.537 0.887 1.283) 2.190 1.849 ( -2.752 -1.589 -2.807) 4.240 2.225 ( -0.343 -0.198 2.338) 2.371 2.415 ( -2.181 -1.259 -0.538) 2.575 2.562 ( -1.282 -0.740 -0.442) 1.545 2.767 ( 0.680 0.392 -0.568) 0.969 2.774 ( 0.913 0.527 0.309) 1.099 2.929 ( -0.511 -0.295 -0.361) 0.692 2.960 ( 1.199 0.692 0.040) 1.386 3.033 ( -1.082 -0.625 -1.287) 1.794 3.108 ( -0.058 -0.033 0.247) 0.256 3.230 ( -1.119 -0.646 1.486) 1.969 3.255 ( 0.804 0.464 -0.345) 0.991 3.686 ( -0.114 -0.066 0.301) 0.329 3.706 ( -1.122 -0.648 -0.299) 1.330 ======================= Grid point 14 (8/231) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.354 ( -0.000 17.378 2.360) 17.538 0.442 ( -0.000 20.231 4.422) 20.708 0.576 ( 0.000 27.850 -0.494) 27.854 0.995 ( 0.000 3.351 -2.740) 4.329 1.054 ( 0.000 8.273 -1.540) 8.415 1.363 ( 0.000 -2.518 -1.721) 3.050 1.450 ( -0.000 -1.057 0.202) 1.076 1.515 ( 0.000 3.812 -1.045) 3.953 2.037 ( -0.000 5.758 3.131) 6.555 2.216 ( 0.000 -1.714 -0.177) 1.723 2.816 ( 0.000 -2.199 -0.431) 2.241 2.840 ( 0.000 0.048 -1.286) 1.286 3.012 ( 0.000 3.303 -23.341) 23.574 3.144 ( 0.000 -2.413 -1.057) 2.634 3.146 ( -0.000 -0.503 1.051) 1.165 3.281 ( 0.000 -1.557 -0.232) 1.574 3.317 ( 0.000 1.711 -1.737) 2.438 3.371 ( -0.000 -3.151 4.062) 5.141 3.600 ( -0.000 0.336 1.640) 1.674 4.020 ( 0.000 -4.551 -0.601) 4.590 4.167 ( -0.000 -5.657 1.926) 5.976 ======================= Grid point 15 (9/231) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 6.605 14.236 1.418) 15.758 0.746 ( 8.180 17.234 0.625) 19.087 0.958 ( 12.125 18.121 0.772) 21.818 1.071 ( 4.235 5.481 -2.233) 7.277 1.166 ( 3.212 7.710 -3.879) 9.209 1.347 ( 1.111 -0.061 1.205) 1.640 1.436 ( -0.481 -0.822 0.274) 0.991 1.569 ( 1.942 3.443 -1.946) 4.406 2.150 ( 3.643 5.939 4.063) 8.065 2.184 ( -0.762 -0.922 -0.951) 1.528 2.764 ( -1.978 -2.778 -1.387) 3.681 2.829 ( -0.813 -0.588 -2.697) 2.877 3.032 ( 1.974 -1.839 -11.923) 12.224 3.114 ( -0.413 -1.929 -0.583) 2.057 3.121 ( -2.259 0.159 0.498) 2.319 3.240 ( -1.423 -2.696 -0.201) 3.055 3.293 ( -2.242 -4.841 1.964) 5.685 3.383 ( 1.710 2.453 0.869) 3.114 3.589 ( -1.156 0.332 -1.693) 2.077 3.928 ( -4.005 -5.684 -1.241) 7.063 4.068 ( -3.822 -7.506 2.006) 8.659 ======================= Grid point 16 (10/231) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 8.208 9.773 -0.514) 12.773 1.023 ( 5.811 12.725 -2.222) 14.164 1.159 ( 3.533 3.654 1.075) 5.195 1.239 ( 2.673 4.201 -2.817) 5.721 1.317 ( 6.384 3.526 -1.407) 7.428 1.427 ( 0.230 2.442 0.329) 2.475 1.473 ( 7.131 6.028 2.594) 9.691 1.655 ( 5.121 5.649 -1.338) 7.741 2.119 ( -1.324 -2.674 -2.967) 4.208 2.336 ( 6.734 6.620 3.855) 10.200 2.701 ( -1.356 -3.015 -1.435) 3.603 2.793 ( -1.629 -1.112 -2.496) 3.181 2.985 ( -2.693 -1.575 -7.926) 8.518 3.030 ( -5.178 -1.409 -2.594) 5.960 3.098 ( -2.695 -1.324 2.927) 4.193 3.181 ( -1.783 -4.629 -0.420) 4.979 3.206 ( -1.561 -4.029 2.283) 4.887 3.424 ( -0.393 1.240 0.899) 1.581 3.567 ( -0.824 -1.199 -2.031) 2.499 3.784 ( -4.670 -5.543 -1.803) 7.469 3.913 ( -4.865 -7.528 1.765) 9.135 ======================= Grid point 17 (11/231) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 6.436 5.938 -2.692) 9.161 1.152 ( -1.924 4.037 -1.073) 4.599 1.241 ( 2.448 5.375 0.108) 5.908 1.297 ( -0.503 3.107 2.127) 3.798 1.431 ( 4.785 2.784 -1.080) 5.641 1.466 ( 0.965 2.129 -0.393) 2.370 1.550 ( 0.792 -0.619 -1.861) 2.115 1.883 ( 8.277 7.254 -1.538) 11.113 2.094 ( 2.947 -2.409 -1.125) 3.969 2.516 ( 6.434 4.213 1.748) 7.887 2.650 ( -1.028 -2.975 -1.125) 3.343 2.750 ( -2.082 0.009 -1.512) 2.573 2.871 ( -6.615 -1.179 -5.074) 8.420 2.931 ( -4.667 0.336 -1.364) 4.873 3.026 ( -3.811 -1.041 1.380) 4.185 3.106 ( -0.348 -4.531 -0.771) 4.610 3.159 ( -0.856 -2.576 0.918) 2.866 3.381 ( -4.228 -1.695 0.429) 4.575 3.485 ( -5.952 -3.404 0.354) 6.866 3.700 ( 0.833 -3.876 -1.154) 4.129 3.780 ( -2.497 -5.794 0.579) 6.335 ======================= Grid point 18 (12/231) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -5.091 0.517 0.067) 5.117 1.176 ( 0.820 3.670 -3.124) 4.889 1.256 ( -5.220 3.644 0.570) 6.392 1.329 ( 0.706 4.920 -1.044) 5.079 1.467 ( -0.787 -1.430 -1.624) 2.302 1.522 ( 3.027 2.925 0.434) 4.231 1.611 ( 5.471 1.045 -0.487) 5.591 1.954 ( -1.084 -1.543 -3.245) 3.753 2.180 ( 5.252 -0.410 1.584) 5.501 2.570 ( -3.555 -0.959 -1.790) 4.094 2.651 ( 2.480 0.704 -0.422) 2.612 2.694 ( -3.460 0.800 -0.756) 3.631 2.783 ( -1.873 1.577 -1.409) 2.824 2.886 ( -0.106 -0.207 1.088) 1.113 2.964 ( -2.542 -0.215 0.428) 2.586 3.079 ( 0.687 -1.731 -2.880) 3.430 3.137 ( 0.119 -0.662 1.229) 1.401 3.264 ( -5.101 -3.103 -0.995) 6.053 3.346 ( -5.381 -3.243 1.793) 6.534 3.682 ( 0.946 -4.239 1.079) 4.475 3.715 ( 0.407 -4.048 -1.252) 4.256 ======================= Grid point 19 (13/231) ======================= q-point: ( 0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -5.940 0.884 -0.318) 6.014 1.096 ( -9.349 6.500 0.811) 11.415 1.308 ( 3.815 1.732 -4.451) 6.113 1.370 ( -0.616 3.469 0.173) 3.528 1.432 ( -1.646 -0.275 -0.298) 1.695 1.593 ( 1.725 2.039 0.510) 2.719 1.700 ( 4.172 -0.880 0.362) 4.279 1.878 ( -3.406 -2.253 -3.075) 5.112 2.225 ( 0.997 -0.821 2.447) 2.767 2.484 ( -4.974 1.139 -0.844) 5.172 2.602 ( -3.549 0.673 -1.035) 3.757 2.732 ( 2.267 0.415 -0.137) 2.308 2.797 ( -0.076 2.838 -0.065) 2.840 2.908 ( 2.775 -2.183 1.118) 3.703 2.936 ( -0.691 -0.196 0.149) 0.733 3.061 ( -1.532 0.178 -4.288) 4.557 3.117 ( -1.792 -0.313 1.538) 2.382 3.215 ( 2.385 -1.983 0.033) 3.102 3.251 ( -2.563 -2.143 1.401) 3.623 3.658 ( 1.211 -3.793 0.499) 4.012 3.686 ( 0.677 -3.869 -0.714) 3.992 ======================= Grid point 20 (14/231) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -2.387 4.329 0.503) 4.969 1.048 ( -5.637 9.521 0.561) 11.079 1.360 ( 1.378 0.635 -3.371) 3.697 1.376 ( -1.749 1.085 1.491) 2.542 1.416 ( -0.381 1.000 1.045) 1.495 1.618 ( -0.539 0.811 0.293) 1.017 1.731 ( 1.357 -2.892 -0.932) 3.328 1.831 ( 0.481 0.523 0.767) 1.045 2.226 ( -0.588 0.004 -0.252) 0.640 2.443 ( -2.083 3.844 0.487) 4.399 2.574 ( -0.903 1.854 -0.174) 2.070 2.753 ( 0.342 -0.570 -0.255) 0.712 2.814 ( -1.269 2.157 -0.391) 2.533 2.916 ( 1.274 -2.307 0.821) 2.760 2.935 ( 0.596 -1.068 0.062) 1.225 3.046 ( 0.101 1.355 -0.554) 1.468 3.103 ( 0.040 -0.676 0.696) 0.971 3.213 ( 0.218 -1.209 -0.155) 1.238 3.237 ( 1.251 -1.966 -0.235) 2.342 3.654 ( 1.767 -3.188 -0.103) 3.646 3.664 ( 1.929 -3.163 -0.196) 3.710 ======================= Grid point 21 (15/231) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 2.001 5.812 1.066) 6.239 1.093 ( -1.226 11.340 -0.323) 11.411 1.331 ( -2.941 -2.345 3.607) 5.211 1.365 ( -1.846 2.062 -1.472) 3.135 1.437 ( 0.999 1.355 1.513) 2.263 1.591 ( -2.685 -0.558 0.120) 2.745 1.695 ( -1.141 -3.826 -1.394) 4.229 1.894 ( 3.923 1.514 2.678) 4.986 2.212 ( -0.084 -0.758 -2.065) 2.201 2.491 ( 1.672 5.100 1.515) 5.577 2.607 ( 1.404 3.513 0.668) 3.842 2.732 ( -1.365 -1.915 -0.353) 2.378 2.797 ( -2.178 1.367 -0.146) 2.575 2.904 ( 0.259 -3.741 -0.382) 3.770 2.937 ( 0.445 0.448 0.565) 0.847 3.084 ( 0.460 1.880 4.053) 4.491 3.108 ( 1.353 1.239 -1.712) 2.510 3.212 ( 0.950 -2.607 -0.924) 2.925 3.243 ( 2.663 0.655 -1.304) 3.036 3.655 ( 2.467 -2.998 -0.596) 3.928 3.689 ( 3.254 -2.461 0.286) 4.089 ======================= Grid point 22 (16/231) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 1.832 4.790 0.302) 5.138 1.184 ( -1.913 3.665 -0.194) 4.139 1.260 ( -2.926 3.207 1.871) 4.727 1.333 ( -4.085 1.638 0.387) 4.418 1.478 ( 1.862 0.213 2.098) 2.813 1.521 ( -4.146 -0.945 0.150) 4.255 1.612 ( -3.116 -4.229 -0.152) 5.255 1.969 ( 2.420 -0.213 1.815) 3.033 2.173 ( -2.697 -4.066 -1.071) 4.995 2.580 ( 2.492 2.630 1.805) 4.048 2.652 ( -2.280 -2.516 0.092) 3.396 2.698 ( 1.353 3.856 0.501) 4.117 2.793 ( 0.657 2.499 2.022) 3.281 2.881 ( 0.531 0.085 -0.769) 0.939 2.964 ( 1.271 1.983 0.426) 2.394 3.092 ( 0.512 -1.287 1.730) 2.217 3.128 ( 0.677 -0.589 -1.996) 2.189 3.268 ( 5.148 2.626 0.249) 5.784 3.336 ( 5.618 3.395 -1.514) 6.737 3.676 ( 3.254 -2.784 -1.108) 4.424 3.721 ( 3.326 -2.483 0.906) 4.248 ======================= Grid point 23 (17/231) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -8.238 -3.502 3.183) 9.500 1.153 ( -1.384 3.689 -0.709) 4.003 1.243 ( -7.125 0.223 0.796) 7.172 1.284 ( -2.232 3.388 -2.555) 4.795 1.434 ( -4.337 -1.994 0.239) 4.779 1.469 ( -2.781 -1.293 0.543) 3.114 1.560 ( -0.044 -0.820 1.478) 1.691 1.892 ( -11.317 -4.004 1.689) 12.123 2.096 ( 1.765 -3.050 -0.505) 3.560 2.509 ( -7.483 -3.806 -0.416) 8.405 2.654 ( 3.094 -0.494 0.397) 3.158 2.756 ( 1.471 1.742 0.636) 2.367 2.901 ( 5.059 5.251 5.019) 8.852 2.940 ( 2.400 4.774 1.673) 5.599 3.018 ( 2.457 2.214 -1.458) 3.614 3.106 ( 3.622 -1.967 -0.721) 4.184 3.152 ( 2.756 -0.590 -1.281) 3.096 3.378 ( 3.456 2.779 -0.841) 4.514 3.482 ( 6.174 3.579 -0.610) 7.162 3.706 ( 3.688 -2.355 1.030) 4.496 3.777 ( 5.684 -0.909 -0.582) 5.786 ======================= Grid point 24 (18/231) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -12.593 -3.459 1.831) 13.187 1.036 ( -14.317 0.682 2.281) 14.513 1.149 ( -4.126 -0.394 -2.333) 4.756 1.247 ( -4.769 0.655 0.028) 4.813 1.323 ( -5.518 -3.937 0.876) 6.835 1.426 ( -1.691 0.996 0.008) 1.962 1.461 ( -10.889 -3.235 -1.413) 11.447 1.660 ( -6.977 -1.507 0.471) 7.153 2.131 ( 3.022 -0.385 1.032) 3.217 2.322 ( -9.562 -2.526 -1.068) 9.947 2.706 ( 3.472 -0.363 0.480) 3.524 2.803 ( 2.135 0.634 0.956) 2.424 3.021 ( 2.458 2.312 2.433) 4.160 3.042 ( 3.794 4.192 1.398) 5.824 3.085 ( 2.913 0.610 0.257) 2.988 3.178 ( 5.812 -0.265 -1.513) 6.012 3.194 ( 3.241 -0.882 -1.535) 3.693 3.420 ( -0.922 1.133 -0.472) 1.535 3.574 ( 2.186 0.222 0.563) 2.268 3.795 ( 7.175 0.593 1.967) 7.463 3.904 ( 8.698 0.815 -1.530) 8.869 ======================= Grid point 25 (19/231) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( -15.613 -0.000 0.000) 15.613 0.744 ( -19.150 -0.000 0.000) 19.150 0.955 ( -22.379 -0.000 0.000) 22.379 1.078 ( -6.590 -0.000 0.000) 6.590 1.178 ( -8.535 -0.000 0.000) 8.535 1.343 ( 0.247 0.000 -0.000) 0.247 1.435 ( 0.959 0.000 -0.000) 0.959 1.574 ( -3.940 -0.000 0.000) 3.940 2.138 ( -7.732 -0.000 0.000) 7.732 2.187 ( 1.585 0.000 -0.000) 1.585 2.768 ( 3.467 0.000 -0.000) 3.467 2.836 ( 1.055 0.000 -0.000) 1.055 3.081 ( 3.090 0.000 -0.000) 3.090 3.100 ( -0.586 -0.000 0.000) 0.586 3.125 ( 2.475 0.000 -0.000) 2.475 3.240 ( 2.979 0.000 -0.000) 2.979 3.285 ( 5.766 0.000 -0.000) 5.766 3.380 ( -3.509 -0.000 0.000) 3.509 3.594 ( 0.260 0.000 -0.000) 0.260 3.932 ( 7.027 0.000 -0.000) 7.027 4.061 ( 8.234 0.000 -0.000) 8.234 ======================= Grid point 28 (20/231) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -0.000 16.009 4.800) 16.713 0.828 ( -0.000 16.367 3.640) 16.767 1.063 ( 0.000 4.247 -4.072) 5.884 1.067 ( 0.000 18.104 -3.600) 18.459 1.232 ( 0.000 9.523 -4.778) 10.654 1.350 ( -0.000 4.404 2.355) 4.994 1.424 ( -0.000 -1.451 0.266) 1.475 1.589 ( 0.000 4.250 -2.116) 4.747 2.170 ( 0.000 -2.467 -1.741) 3.019 2.211 ( -0.000 9.562 4.754) 10.679 2.759 ( 0.000 -2.948 -0.782) 3.050 2.823 ( 0.000 -1.196 -2.722) 2.973 2.969 ( 0.000 -1.046 -10.950) 10.999 3.069 ( 0.000 -4.483 -1.223) 4.647 3.141 ( 0.000 -0.194 -0.836) 0.858 3.235 ( 0.000 -2.736 -0.802) 2.851 3.259 ( -0.000 -6.427 1.879) 6.696 3.384 ( 0.000 2.071 -0.323) 2.096 3.602 ( 0.000 -0.917 -0.300) 0.964 3.905 ( -0.000 -6.029 0.051) 6.029 4.017 ( -0.000 -9.298 0.811) 9.333 ======================= Grid point 29 (21/231) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 1.582 13.430 4.439) 14.233 1.061 ( 6.076 13.056 2.145) 14.559 1.110 ( 2.855 2.670 -4.559) 6.005 1.215 ( 4.903 3.234 -5.211) 7.853 1.317 ( -0.759 7.499 -2.111) 7.828 1.428 ( 1.601 0.434 0.270) 1.681 1.470 ( 2.682 10.200 2.588) 10.860 1.655 ( 2.286 8.020 -1.183) 8.423 2.119 ( -2.129 -2.868 -3.309) 4.869 2.342 ( 2.529 9.184 4.501) 10.535 2.701 ( -2.267 -2.783 -1.303) 3.819 2.795 ( -0.717 -1.761 -2.439) 3.092 2.958 ( 1.546 -1.505 -7.321) 7.632 3.038 ( 0.930 -4.650 -2.017) 5.153 3.121 ( -1.265 -1.286 1.330) 2.241 3.174 ( -2.240 -6.080 0.372) 6.490 3.184 ( -1.666 -3.653 -0.093) 4.016 3.417 ( 1.871 0.125 -0.137) 1.880 3.567 ( -1.465 -2.522 -1.435) 3.251 3.809 ( -4.186 -5.270 0.506) 6.749 3.897 ( -2.824 -8.932 -0.013) 9.368 ======================= Grid point 30 (22/231) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 2.604 9.083 2.328) 9.731 1.180 ( 3.621 2.742 -3.081) 5.488 1.262 ( 2.720 5.922 1.749) 6.748 1.328 ( 2.194 5.410 -2.332) 6.286 1.357 ( 3.981 3.591 -1.759) 5.642 1.475 ( 1.757 1.189 0.695) 2.232 1.547 ( -0.593 1.318 -1.404) 2.015 1.850 ( 6.039 12.273 -0.121) 13.678 2.039 ( -1.544 -4.049 -3.300) 5.446 2.484 ( 3.557 6.651 3.078) 8.146 2.641 ( -1.337 -2.226 -1.252) 2.883 2.762 ( -0.718 -1.155 -1.490) 2.017 2.943 ( -2.524 -0.699 -4.797) 5.466 2.988 ( -0.963 -1.385 -3.704) 4.070 3.063 ( -1.726 -6.518 0.001) 6.743 3.081 ( -3.108 -1.219 2.221) 4.010 3.125 ( -0.418 -4.282 0.415) 4.322 3.421 ( -1.132 -2.316 0.713) 2.675 3.511 ( -0.873 -3.999 -1.291) 4.292 3.676 ( -4.521 -4.408 -0.019) 6.315 3.759 ( -3.194 -7.254 -0.103) 7.927 ======================= Grid point 31 (23/231) ======================= q-point: ( 0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 0.970 3.951 -0.099) 4.069 1.219 ( -2.496 4.247 -1.362) 5.111 1.347 ( 3.633 3.382 0.140) 4.966 1.391 ( -0.790 5.837 -0.532) 5.914 1.471 ( -1.663 1.101 -2.461) 3.167 1.507 ( 1.127 1.504 0.307) 1.904 1.533 ( 3.904 0.817 -0.229) 3.995 1.960 ( -1.442 -0.430 -1.591) 2.190 2.068 ( 6.848 2.192 -0.987) 7.258 2.594 ( -0.414 0.182 -1.155) 1.240 2.608 ( 2.556 2.336 0.923) 3.584 2.748 ( -0.245 0.012 -0.351) 0.429 2.849 ( -5.179 0.217 -2.480) 5.746 2.932 ( -4.556 -1.331 0.185) 4.750 2.993 ( -0.766 -2.458 -1.021) 2.770 3.052 ( 0.053 0.709 -1.685) 1.829 3.089 ( 1.735 -4.399 1.169) 4.871 3.335 ( -5.144 -3.296 -0.173) 6.112 3.416 ( -5.452 -3.490 0.609) 6.502 3.605 ( 1.233 -4.938 0.070) 5.090 3.655 ( -0.614 -6.407 -0.508) 6.456 ======================= Grid point 32 (24/231) ======================= q-point: ( 0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -5.556 2.782 -1.192) 6.327 1.250 ( 0.506 4.145 -2.554) 4.895 1.355 ( -7.376 5.518 -0.904) 9.256 1.418 ( 0.452 2.502 1.793) 3.111 1.455 ( -0.696 1.934 -0.807) 2.208 1.559 ( 4.067 -0.076 0.051) 4.068 1.624 ( 3.213 0.850 -0.009) 3.324 1.914 ( -2.860 -0.447 -1.397) 3.214 2.174 ( 4.293 0.243 -0.191) 4.304 2.556 ( -1.964 0.376 -1.629) 2.579 2.683 ( -0.331 2.068 -0.298) 2.115 2.717 ( -2.578 1.560 -0.296) 3.028 2.816 ( 0.780 1.109 1.418) 1.962 2.861 ( -0.961 -2.082 0.713) 2.401 2.951 ( -1.492 -1.321 -0.020) 1.993 3.062 ( 0.529 0.529 -2.743) 2.843 3.121 ( 4.129 -1.094 0.016) 4.272 3.192 ( -6.157 -3.698 -1.278) 7.295 3.296 ( -4.813 -2.214 1.892) 5.625 3.578 ( 1.796 -5.932 0.634) 6.230 3.608 ( 2.026 -5.986 -0.922) 6.386 ======================= Grid point 33 (25/231) ======================= q-point: ( 0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -5.109 5.357 -0.489) 7.419 1.264 ( -4.711 7.311 -0.920) 8.746 1.335 ( -0.408 3.515 -1.393) 3.803 1.432 ( -1.131 1.436 2.543) 3.132 1.448 ( -1.974 2.425 -0.681) 3.200 1.625 ( 2.440 0.287 0.784) 2.579 1.651 ( 1.890 -3.368 -1.305) 4.077 1.864 ( -2.893 2.404 -0.406) 3.784 2.231 ( 1.093 1.157 -0.171) 1.601 2.538 ( -2.507 4.159 -0.180) 4.860 2.626 ( -3.614 1.560 -0.403) 3.957 2.744 ( 0.864 0.579 0.097) 1.045 2.848 ( 1.456 -2.879 0.586) 3.279 2.853 ( 0.546 1.693 1.283) 2.193 2.926 ( 0.102 -1.174 0.044) 1.180 3.049 ( -1.459 -0.648 -3.648) 3.982 3.097 ( -0.263 -1.849 1.250) 2.247 3.175 ( 2.884 -1.366 -0.704) 3.268 3.219 ( -2.136 -1.399 1.394) 2.909 3.564 ( 3.165 -5.307 -0.107) 6.180 3.583 ( 2.092 -5.970 -0.339) 6.335 ======================= Grid point 34 (26/231) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -1.469 7.616 1.073) 7.830 1.267 ( -3.910 8.616 -0.395) 9.470 1.350 ( -1.163 1.671 0.729) 2.162 1.421 ( -2.041 1.772 0.827) 2.827 1.453 ( -0.403 2.549 0.288) 2.597 1.612 ( -0.817 -3.002 -1.519) 3.463 1.657 ( 0.916 -2.261 -0.018) 2.440 1.877 ( 0.352 3.544 1.659) 3.929 2.223 ( -1.969 -0.114 -1.513) 2.485 2.546 ( -1.809 4.700 1.292) 5.199 2.630 ( 0.893 4.014 0.299) 4.123 2.739 ( -1.110 -0.794 -0.859) 1.613 2.833 ( -0.468 -2.338 -0.981) 2.578 2.860 ( -0.248 -0.427 1.546) 1.623 2.926 ( 1.072 -0.758 0.059) 1.314 3.075 ( 4.190 1.287 -1.042) 4.505 3.091 ( 0.349 -0.674 1.965) 2.106 3.183 ( -1.263 -1.936 0.749) 2.430 3.201 ( 2.316 0.049 -1.691) 2.868 3.563 ( 2.804 -5.391 -0.226) 6.081 3.583 ( 4.379 -4.797 -0.318) 6.504 ======================= Grid point 35 (27/231) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -0.123 6.881 1.837) 7.123 1.266 ( -3.210 1.136 -0.064) 3.406 1.366 ( -2.122 8.274 0.988) 8.598 1.407 ( -1.813 1.733 0.102) 2.510 1.466 ( -0.455 0.966 1.010) 1.470 1.560 ( -1.182 -2.934 0.122) 3.166 1.615 ( -2.714 -2.659 -1.330) 4.025 1.922 ( 1.732 0.796 -0.156) 1.913 2.180 ( -1.861 -2.042 0.821) 2.882 2.575 ( 0.945 1.761 1.549) 2.529 2.683 ( -2.281 -0.103 -0.209) 2.293 2.720 ( 0.719 3.813 0.090) 3.881 2.802 ( 0.445 -0.055 -0.481) 0.658 2.861 ( 0.790 0.483 0.465) 1.036 2.954 ( 2.074 0.656 0.507) 2.233 3.073 ( 0.397 -2.040 -0.596) 2.162 3.124 ( -2.133 -3.175 0.426) 3.848 3.203 ( 5.475 3.995 0.015) 6.777 3.278 ( 4.763 3.274 -0.562) 5.807 3.571 ( 3.880 -4.465 -0.577) 5.943 3.614 ( 4.629 -4.738 0.087) 6.624 ======================= Grid point 36 (28/231) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -4.455 -0.049 1.840) 4.820 1.218 ( -2.631 3.809 -1.245) 4.794 1.346 ( -3.884 -0.820 -0.119) 3.971 1.401 ( -5.310 5.664 0.869) 7.812 1.481 ( -0.503 -0.469 -0.532) 0.870 1.507 ( -4.732 -1.050 -0.459) 4.868 1.540 ( 1.072 -1.543 1.398) 2.342 1.967 ( 3.202 0.284 -0.346) 3.234 2.079 ( -6.948 -4.026 0.778) 8.067 2.597 ( -5.657 -1.455 0.137) 5.843 2.611 ( 1.720 0.001 0.461) 1.781 2.748 ( 0.786 0.359 -0.327) 0.924 2.884 ( 3.787 5.130 3.296) 7.178 2.924 ( 4.432 2.544 -1.269) 5.266 3.001 ( 1.937 1.053 0.205) 2.214 3.063 ( -1.746 -1.739 0.479) 2.510 3.074 ( 3.295 -3.020 -1.264) 4.645 3.332 ( 5.064 2.993 -0.810) 5.938 3.410 ( 5.920 3.163 -0.095) 6.712 3.604 ( 4.269 -2.888 -0.076) 5.155 3.658 ( 5.506 -3.072 0.100) 6.306 ======================= Grid point 37 (29/231) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -9.544 -0.000 0.000) 9.544 1.200 ( -2.358 -0.000 0.000) 2.358 1.249 ( -8.031 -0.000 0.000) 8.031 1.343 ( -5.505 -0.000 0.000) 5.505 1.366 ( -4.472 -0.000 0.000) 4.472 1.470 ( -2.305 -0.000 0.000) 2.305 1.555 ( -1.045 -0.000 0.000) 1.045 1.851 ( -13.971 -0.000 0.000) 13.971 2.058 ( 4.858 0.000 -0.000) 4.858 2.466 ( -8.222 -0.000 0.000) 8.222 2.649 ( 2.711 0.000 -0.000) 2.711 2.771 ( 1.681 0.000 -0.000) 1.681 2.995 ( 4.242 0.000 -0.000) 4.242 3.027 ( 4.556 0.000 -0.000) 4.556 3.028 ( -0.576 -0.000 0.000) 0.576 3.062 ( 5.431 0.000 -0.000) 5.431 3.124 ( 3.889 0.000 -0.000) 3.889 3.417 ( 2.464 0.000 -0.000) 2.464 3.519 ( 4.485 0.000 -0.000) 4.485 3.677 ( 6.077 0.000 -0.000) 6.077 3.758 ( 7.614 0.000 -0.000) 7.614 ======================= Grid point 42 (30/231) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -0.000 11.118 5.603) 12.450 1.080 ( 0.000 4.494 -0.841) 4.572 1.149 ( -0.000 7.960 0.176) 7.962 1.162 ( 0.000 0.898 -7.637) 7.689 1.406 ( 0.000 0.211 -0.322) 0.385 1.413 ( 0.000 7.819 -2.125) 8.103 1.540 ( -0.000 5.078 0.747) 5.132 1.750 ( -0.000 15.012 1.359) 15.073 2.105 ( 0.000 -2.721 -4.866) 5.575 2.433 ( -0.000 10.235 4.392) 11.137 2.699 ( 0.000 -2.720 -1.240) 2.989 2.770 ( 0.000 -3.065 -2.500) 3.955 2.911 ( 0.000 -1.292 -4.914) 5.081 2.967 ( 0.000 -5.034 -0.162) 5.036 3.096 ( -0.000 -7.030 1.317) 7.152 3.140 ( 0.000 -2.493 -1.415) 2.866 3.172 ( 0.000 -2.872 -1.384) 3.188 3.387 ( 0.000 -2.400 -0.467) 2.445 3.539 ( 0.000 -5.205 -0.866) 5.277 3.801 ( -0.000 -5.059 1.475) 5.270 3.843 ( 0.000 -5.921 -1.455) 6.097 ======================= Grid point 43 (31/231) ======================= q-point: ( 0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 1.436 6.168 2.598) 6.845 1.115 ( 2.405 0.613 -2.392) 3.447 1.234 ( 5.998 2.220 -2.580) 6.896 1.265 ( 3.784 5.761 1.135) 6.985 1.423 ( -0.148 4.872 -1.493) 5.098 1.467 ( -0.501 3.299 -1.108) 3.516 1.567 ( -0.203 0.996 -0.337) 1.071 1.920 ( 1.299 12.632 1.285) 12.763 2.047 ( -2.537 -1.174 -4.640) 5.417 2.536 ( 0.096 8.144 3.276) 8.779 2.645 ( -1.739 -2.434 -1.310) 3.265 2.745 ( 0.745 -2.440 -1.782) 3.112 2.918 ( 2.046 -2.269 -2.033) 3.670 2.934 ( 1.574 -3.677 -1.686) 4.341 3.015 ( -0.660 -6.601 -0.389) 6.645 3.108 ( -1.270 -1.444 0.744) 2.062 3.126 ( -2.001 -2.264 -1.645) 3.440 3.362 ( 1.620 -5.491 -0.343) 5.736 3.471 ( -0.572 -6.139 -0.671) 6.202 3.719 ( -3.702 -4.245 0.541) 5.659 3.767 ( -3.646 -3.099 -0.816) 4.854 ======================= Grid point 44 (32/231) ======================= q-point: ( 0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 1.013 2.728 0.407) 2.938 1.200 ( 5.252 1.132 -0.546) 5.400 1.341 ( 2.572 3.219 -0.431) 4.143 1.405 ( 7.115 2.856 -0.523) 7.684 1.462 ( -0.890 2.562 -1.335) 3.023 1.485 ( 0.663 3.286 -1.038) 3.509 1.554 ( -1.542 -0.023 -0.313) 1.574 1.943 ( -0.498 -3.571 -1.992) 4.119 2.081 ( -0.505 9.333 -0.594) 9.365 2.600 ( -0.657 -0.423 -1.022) 1.286 2.618 ( 0.664 4.131 1.656) 4.500 2.738 ( 0.723 -0.909 -0.689) 1.351 2.884 ( -0.678 -2.935 -2.098) 3.671 2.928 ( 1.706 -5.653 -0.004) 5.905 2.979 ( 0.002 0.017 -1.774) 1.774 3.051 ( -2.677 -2.587 -1.148) 3.896 3.081 ( -1.651 0.951 0.995) 2.149 3.319 ( 0.508 -7.436 -0.204) 7.456 3.412 ( 0.530 -5.205 -0.085) 5.233 3.605 ( -4.901 -2.787 0.324) 5.647 3.653 ( -5.297 -3.176 -0.622) 6.207 ======================= Grid point 45 (33/231) ======================= q-point: ( 0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -1.043 1.722 -1.811) 2.708 1.295 ( 2.556 2.198 -0.459) 3.402 1.387 ( 0.286 2.216 0.587) 2.311 1.452 ( 0.651 -0.704 -1.962) 2.184 1.495 ( -1.554 1.754 0.314) 2.365 1.535 ( -0.029 3.292 -1.023) 3.448 1.575 ( 4.734 1.262 0.566) 4.932 1.934 ( 1.651 0.203 0.549) 1.752 2.135 ( 0.323 3.705 -1.944) 4.196 2.572 ( -0.811 -0.436 -1.335) 1.622 2.679 ( 1.493 2.667 0.640) 3.123 2.746 ( 0.667 -0.305 0.591) 0.942 2.858 ( -0.976 1.066 -0.477) 1.522 2.884 ( -3.312 -1.925 0.131) 3.833 2.938 ( -0.574 -4.069 -0.437) 4.133 3.032 ( 2.085 -0.554 0.070) 2.158 3.077 ( -0.451 1.759 -1.454) 2.326 3.230 ( -2.448 -6.513 -1.807) 7.189 3.358 ( -2.887 -3.070 1.939) 4.639 3.517 ( -0.988 -3.827 -0.241) 3.960 3.535 ( -3.058 -4.606 -0.320) 5.538 ======================= Grid point 46 (34/231) ======================= q-point: ( 0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -2.712 4.012 -1.751) 5.149 1.312 ( -2.027 2.550 -0.792) 3.353 1.422 ( 1.574 0.423 0.355) 1.668 1.454 ( -0.266 1.420 0.361) 1.489 1.507 ( 0.019 1.252 1.048) 1.633 1.542 ( 0.056 0.449 -0.882) 0.991 1.631 ( 1.055 -0.720 -0.775) 1.494 1.967 ( -2.359 6.320 -0.024) 6.746 2.202 ( 3.887 2.320 -0.336) 4.539 2.575 ( 0.758 1.952 -0.903) 2.281 2.713 ( -1.102 0.839 -0.599) 1.509 2.746 ( -1.411 1.139 0.439) 1.865 2.793 ( -1.377 -2.468 2.005) 3.465 2.874 ( 0.509 0.821 0.319) 1.017 2.902 ( -0.046 -2.792 0.271) 2.805 3.059 ( -0.213 -2.149 -1.377) 2.562 3.081 ( -0.103 -0.836 0.018) 0.842 3.133 ( -0.239 -0.662 -3.518) 3.588 3.270 ( -4.330 -1.427 2.512) 5.206 3.465 ( 0.896 -5.127 -0.025) 5.205 3.482 ( 1.807 -5.742 -0.402) 6.033 ======================= Grid point 47 (35/231) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -3.103 6.920 -0.401) 7.595 1.305 ( -0.018 0.363 -0.666) 0.759 1.441 ( 0.668 -1.535 1.298) 2.118 1.465 ( -2.911 5.188 0.707) 5.990 1.501 ( -1.393 2.497 0.025) 2.859 1.553 ( 1.715 -3.566 -0.856) 4.048 1.629 ( 1.034 -0.934 -0.564) 1.503 1.984 ( -4.551 8.666 1.108) 9.851 2.253 ( -0.741 0.348 -1.459) 1.673 2.637 ( 0.671 5.202 0.221) 5.250 2.644 ( -2.782 0.047 0.101) 2.784 2.750 ( -0.624 -0.197 -0.377) 0.755 2.785 ( 1.345 -2.777 1.850) 3.597 2.872 ( 1.602 -4.036 -0.372) 4.358 2.887 ( -0.183 0.305 -0.137) 0.381 3.021 ( 1.246 -0.091 -0.195) 1.264 3.087 ( -0.052 0.568 0.143) 0.588 3.161 ( 2.089 0.812 -2.782) 3.572 3.205 ( -2.136 -0.811 2.253) 3.209 3.456 ( 3.485 -5.376 -0.237) 6.411 3.460 ( 2.583 -5.122 -0.247) 5.742 ======================= Grid point 48 (36/231) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -0.924 4.842 1.187) 5.070 1.311 ( -1.026 2.055 -0.975) 2.495 1.422 ( -0.326 -3.107 0.870) 3.243 1.458 ( -1.570 2.914 0.324) 3.326 1.495 ( -0.635 -1.037 -0.296) 1.251 1.557 ( -0.634 3.036 0.665) 3.172 1.629 ( -0.475 -1.828 -1.067) 2.170 1.974 ( -4.964 4.554 0.612) 6.764 2.199 ( -2.385 -1.814 -0.611) 3.058 2.591 ( -1.578 0.110 0.579) 1.685 2.713 ( -1.006 0.448 -0.304) 1.142 2.737 ( 0.466 1.167 -0.422) 1.325 2.788 ( 1.928 2.200 1.352) 3.222 2.870 ( 0.560 -1.137 -0.137) 1.274 2.895 ( 2.154 -1.675 -0.334) 2.749 3.068 ( -0.394 -0.067 -1.332) 1.391 3.081 ( 2.186 -1.485 1.188) 2.897 3.190 ( 0.739 1.871 -0.104) 2.014 3.228 ( 4.041 2.022 0.361) 4.534 3.464 ( 3.712 -3.231 -0.240) 4.927 3.484 ( 4.398 -4.167 -0.260) 6.065 ======================= Grid point 49 (37/231) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -2.039 -0.000 0.000) 2.039 1.290 ( -2.852 -0.000 0.000) 2.852 1.384 ( -1.786 -0.000 0.000) 1.786 1.482 ( -0.126 -0.000 0.000) 0.126 1.484 ( 1.820 0.000 -0.000) 1.820 1.555 ( -4.764 -0.000 0.000) 4.764 1.561 ( -2.700 -0.000 0.000) 2.700 1.929 ( -0.802 -0.000 0.000) 0.802 2.154 ( -2.812 -0.000 0.000) 2.812 2.589 ( 0.884 0.000 -0.000) 0.884 2.673 ( -3.635 -0.000 0.000) 3.635 2.735 ( 0.561 0.000 -0.000) 0.561 2.871 ( 2.341 0.000 -0.000) 2.341 2.876 ( 1.266 0.000 -0.000) 1.266 2.939 ( 5.016 0.000 -0.000) 5.016 3.034 ( -1.197 -0.000 0.000) 1.197 3.090 ( -1.081 -0.000 0.000) 1.081 3.258 ( 4.833 0.000 -0.000) 4.833 3.329 ( 5.478 0.000 -0.000) 5.478 3.521 ( 3.703 0.000 -0.000) 3.703 3.538 ( 5.634 0.000 -0.000) 5.634 ======================= Grid point 56 (38/231) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 0.000 -1.146 -4.110) 4.267 1.087 ( 0.000 -1.416 -0.441) 1.483 1.249 ( -0.000 5.607 3.133) 6.423 1.269 ( 0.000 2.116 -0.970) 2.328 1.463 ( -0.000 5.486 0.511) 5.510 1.522 ( 0.000 3.471 -1.269) 3.696 1.574 ( 0.000 0.852 -1.440) 1.673 1.981 ( 0.000 -1.158 -3.512) 3.698 2.107 ( -0.000 10.374 0.708) 10.399 2.624 ( -0.000 4.830 2.576) 5.474 2.631 ( 0.000 -1.872 -1.621) 2.477 2.687 ( 0.000 -4.010 -2.060) 4.508 2.863 ( -0.000 -4.372 0.070) 4.373 2.891 ( -0.000 -1.855 0.828) 2.032 2.967 ( 0.000 -2.562 -2.555) 3.618 3.101 ( 0.000 -1.493 -0.539) 1.587 3.122 ( 0.000 -1.315 -0.857) 1.569 3.289 ( 0.000 -5.972 -1.383) 6.130 3.408 ( -0.000 -6.944 0.368) 6.954 3.717 ( 0.000 -2.543 -0.061) 2.544 3.779 ( 0.000 -2.044 -0.414) 2.085 ======================= Grid point 57 (39/231) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 3.804 -1.810 -0.795) 4.287 1.147 ( 6.315 -1.248 -1.241) 6.555 1.301 ( 1.466 2.262 0.650) 2.773 1.316 ( 4.353 0.589 -1.303) 4.582 1.506 ( -1.395 1.581 0.740) 2.235 1.542 ( 0.616 3.411 0.176) 3.471 1.575 ( -2.033 2.856 -2.529) 4.322 1.927 ( -1.440 -3.173 -3.557) 4.979 2.192 ( -1.727 6.949 1.865) 7.399 2.589 ( 0.167 -2.775 -1.462) 3.141 2.656 ( 0.267 0.695 0.136) 0.757 2.686 ( 1.868 -1.193 -0.691) 2.322 2.838 ( 2.225 -4.438 0.695) 5.013 2.875 ( -1.163 0.390 0.706) 1.415 2.965 ( 0.905 0.130 -1.810) 2.028 3.070 ( -1.905 -1.656 -2.579) 3.609 3.116 ( -0.242 1.359 1.195) 1.826 3.234 ( 0.500 -5.813 -1.227) 5.962 3.342 ( 0.139 -6.015 0.708) 6.058 3.665 ( -3.596 -1.519 0.285) 3.914 3.720 ( -4.128 -2.083 -0.636) 4.667 ======================= Grid point 58 (40/231) ======================= q-point: ( 0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 5.250 -3.043 -1.418) 6.231 1.229 ( 3.467 0.753 -1.548) 3.871 1.370 ( 4.722 0.127 -0.848) 4.799 1.436 ( 8.607 0.114 1.505) 8.738 1.484 ( -1.467 0.488 0.541) 1.638 1.544 ( -3.524 1.883 -0.918) 4.100 1.585 ( -0.551 3.629 -0.916) 3.784 1.896 ( 1.434 -0.345 -1.287) 1.957 2.195 ( -2.375 1.853 0.105) 3.014 2.570 ( 0.242 -0.936 -1.662) 1.923 2.683 ( 1.922 0.320 -0.288) 1.969 2.711 ( 2.323 -0.755 -0.003) 2.442 2.844 ( 1.435 -2.314 2.764) 3.880 2.869 ( -0.475 1.389 0.229) 1.486 2.959 ( -1.868 -1.397 -0.369) 2.362 3.020 ( -0.697 -0.029 -3.504) 3.573 3.125 ( -1.670 2.546 -0.213) 3.052 3.172 ( -0.829 -5.757 -0.653) 5.852 3.306 ( 1.956 -5.378 1.159) 5.839 3.569 ( -5.764 -1.146 0.469) 5.896 3.602 ( -6.385 -2.029 -0.704) 6.736 ======================= Grid point 59 (41/231) ======================= q-point: ( 0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 3.202 -0.901 -2.259) 4.021 1.301 ( 4.493 -0.601 0.116) 4.535 1.443 ( 2.396 1.491 -1.187) 3.062 1.454 ( -4.857 2.957 1.320) 5.838 1.507 ( -0.094 -0.388 0.864) 0.952 1.566 ( 5.045 -1.763 -0.124) 5.346 1.590 ( -1.649 1.681 -1.228) 2.656 1.982 ( 6.247 3.459 -0.129) 7.142 2.186 ( 0.326 1.707 -0.151) 1.744 2.579 ( 0.589 1.901 -1.006) 2.230 2.711 ( 1.140 -0.522 -0.699) 1.436 2.743 ( 1.404 0.114 1.075) 1.772 2.835 ( -0.566 -2.521 1.696) 3.090 2.865 ( -3.247 -0.505 0.165) 3.290 2.903 ( -0.836 0.341 0.472) 1.019 3.025 ( 1.094 -1.119 -1.775) 2.366 3.100 ( -1.521 -0.885 0.437) 1.813 3.113 ( -0.610 -0.835 -3.174) 3.338 3.287 ( 0.683 -4.366 1.726) 4.744 3.459 ( -4.838 -1.420 0.053) 5.042 3.474 ( -5.249 -1.925 -0.271) 5.598 ======================= Grid point 60 (42/231) ======================= q-point: ( 0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 3.044 3.306 -0.766) 4.559 1.342 ( -1.949 0.609 -0.991) 2.270 1.376 ( -0.702 -3.028 1.485) 3.445 1.509 ( 1.683 3.236 0.137) 3.650 1.516 ( 0.368 -0.085 0.795) 0.880 1.559 ( -2.172 0.649 -1.363) 2.645 1.590 ( 1.235 -2.664 -0.200) 2.943 2.124 ( 2.042 7.350 -0.483) 7.644 2.228 ( 1.958 -0.788 0.709) 2.227 2.629 ( 2.175 3.767 -0.437) 4.371 2.704 ( -0.262 -1.952 -0.856) 2.148 2.752 ( -3.638 -2.299 0.632) 4.349 2.767 ( 0.277 0.636 0.808) 1.065 2.828 ( -1.298 -1.564 1.665) 2.627 2.880 ( -0.407 -1.743 -1.111) 2.107 3.015 ( 0.059 -0.304 -0.170) 0.354 3.097 ( -0.123 0.541 -0.677) 0.875 3.128 ( 2.762 1.341 -1.665) 3.493 3.242 ( -2.374 -2.059 1.546) 3.502 3.386 ( -1.018 -2.136 -0.055) 2.367 3.400 ( -0.898 -2.145 -0.184) 2.332 ======================= Grid point 61 (43/231) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -3.585 -0.000 0.000) 3.585 1.353 ( -0.450 -0.000 0.000) 0.450 1.353 ( 3.563 0.000 -0.000) 3.563 1.506 ( -1.116 -0.000 0.000) 1.116 1.509 ( -2.609 -0.000 0.000) 2.609 1.583 ( 0.908 0.000 -0.000) 0.908 1.588 ( 2.289 0.000 -0.000) 2.289 2.132 ( -7.236 -0.000 0.000) 7.236 2.216 ( -0.659 -0.000 0.000) 0.659 2.638 ( -3.716 -0.000 0.000) 3.716 2.721 ( 2.697 0.000 -0.000) 2.697 2.744 ( -2.261 -0.000 0.000) 2.261 2.745 ( 4.182 0.000 -0.000) 4.182 2.812 ( 0.958 0.000 -0.000) 0.958 2.883 ( 0.932 0.000 -0.000) 0.932 3.025 ( 1.502 0.000 -0.000) 1.502 3.103 ( -0.669 -0.000 0.000) 0.669 3.179 ( 1.723 0.000 -0.000) 1.723 3.195 ( -0.242 -0.000 0.000) 0.242 3.387 ( 2.435 0.000 -0.000) 2.435 3.402 ( 2.484 0.000 -0.000) 2.484 ======================= Grid point 70 (44/231) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -0.000 -2.843 0.161) 2.847 1.047 ( -0.000 -2.235 1.188) 2.531 1.270 ( 0.000 -0.344 -2.643) 2.665 1.309 ( 0.000 0.856 -2.427) 2.574 1.501 ( 0.000 -3.725 -0.549) 3.766 1.578 ( -0.000 4.737 1.013) 4.845 1.639 ( 0.000 4.760 -1.250) 4.921 1.902 ( 0.000 -2.795 -3.771) 4.694 2.260 ( -0.000 1.477 3.721) 4.003 2.540 ( 0.000 -4.241 -0.500) 4.270 2.603 ( 0.000 -3.527 -1.674) 3.904 2.695 ( 0.000 0.215 -0.206) 0.297 2.784 ( 0.000 -1.262 -0.309) 1.299 2.914 ( -0.000 3.054 0.591) 3.111 2.955 ( 0.000 0.311 -0.846) 0.901 3.085 ( 0.000 0.013 -1.421) 1.421 3.117 ( -0.000 0.622 0.485) 0.789 3.183 ( 0.000 -3.052 -1.337) 3.332 3.296 ( -0.000 -4.001 1.249) 4.192 3.686 ( -0.000 -1.037 0.291) 1.077 3.733 ( 0.000 -2.277 -0.652) 2.369 ======================= Grid point 71 (45/231) ======================= q-point: ( 0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 3.256 -3.133 0.169) 4.522 1.109 ( 7.686 -1.821 0.264) 7.903 1.312 ( 5.433 -0.183 -0.878) 5.507 1.318 ( 1.365 0.693 -2.015) 2.531 1.464 ( 0.600 -3.350 -1.408) 3.683 1.615 ( -0.676 3.105 0.830) 3.284 1.656 ( -2.732 3.669 -0.277) 4.583 1.874 ( 0.197 -0.785 -2.674) 2.794 2.236 ( -2.215 -2.155 2.652) 4.072 2.526 ( 2.340 -2.511 -0.837) 3.533 2.596 ( 2.982 -2.769 -1.092) 4.213 2.700 ( 0.879 0.074 0.191) 0.902 2.802 ( 1.990 0.287 0.148) 2.016 2.923 ( -1.935 2.306 1.147) 3.222 2.962 ( 0.175 -0.009 -0.401) 0.438 3.040 ( -2.935 -0.319 -2.981) 4.195 3.152 ( -1.272 -0.518 0.565) 1.485 3.161 ( 1.815 0.974 -0.304) 2.082 3.252 ( -1.266 -3.215 1.115) 3.630 3.646 ( -3.555 -0.655 0.366) 3.633 3.675 ( -3.924 -1.977 -0.632) 4.439 ======================= Grid point 72 (46/231) ======================= q-point: ( 0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 5.320 -2.378 -0.873) 5.893 1.223 ( 5.545 -0.361 -0.661) 5.596 1.386 ( 5.230 1.896 -1.176) 5.686 1.428 ( 7.217 -1.586 1.651) 7.572 1.463 ( 2.328 -1.056 -0.518) 2.608 1.601 ( -5.294 2.209 1.511) 5.932 1.630 ( -1.779 1.031 -1.525) 2.560 1.902 ( 3.953 0.726 -0.814) 4.101 2.188 ( -0.644 -1.211 0.507) 1.462 2.566 ( 3.302 0.891 -0.813) 3.515 2.631 ( 3.630 -2.689 -0.452) 4.540 2.725 ( 1.562 0.284 0.712) 1.740 2.845 ( 1.755 0.671 1.141) 2.198 2.899 ( -2.925 0.569 0.345) 3.000 2.946 ( -2.684 0.433 1.250) 2.992 2.992 ( -0.166 -1.498 -3.554) 3.860 3.115 ( -2.239 0.228 -0.165) 2.256 3.163 ( -3.307 0.436 -0.372) 3.356 3.223 ( 1.918 -2.497 1.112) 3.339 3.557 ( -5.983 -0.157 0.113) 5.986 3.567 ( -6.140 -1.132 -0.222) 6.247 ======================= Grid point 73 (47/231) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 6.276 0.000 -0.000) 6.276 1.294 ( 3.347 0.000 -0.000) 3.347 1.474 ( -1.761 -0.000 0.000) 1.761 1.497 ( 3.798 0.000 -0.000) 3.798 1.502 ( -1.661 -0.000 0.000) 1.661 1.523 ( 1.580 0.000 -0.000) 1.580 1.602 ( -1.886 -0.000 0.000) 1.886 2.025 ( 8.869 0.000 -0.000) 8.869 2.203 ( 2.134 0.000 -0.000) 2.134 2.642 ( 0.754 0.000 -0.000) 0.754 2.645 ( 3.128 0.000 -0.000) 3.128 2.756 ( 1.414 0.000 -0.000) 1.414 2.826 ( -4.904 -0.000 0.000) 4.904 2.864 ( -0.978 -0.000 0.000) 0.978 2.892 ( -2.959 -0.000 0.000) 2.959 2.996 ( 1.472 0.000 -0.000) 1.472 3.099 ( 0.602 0.000 -0.000) 0.602 3.111 ( -1.934 -0.000 0.000) 1.934 3.238 ( 0.910 0.000 -0.000) 0.910 3.451 ( -5.977 -0.000 0.000) 5.977 3.451 ( -5.601 -0.000 0.000) 5.601 ======================= Grid point 85 (48/231) ======================= q-point: ( 0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -0.000 -2.227 0.985) 2.435 1.017 ( -0.000 -0.997 0.755) 1.251 1.255 ( 0.000 -0.231 -1.272) 1.293 1.310 ( 0.000 0.601 -1.435) 1.556 1.419 ( 0.000 -2.896 -1.774) 3.396 1.646 ( -0.000 1.674 0.416) 1.725 1.712 ( -0.000 2.096 0.515) 2.158 1.862 ( 0.000 -0.223 -2.170) 2.181 2.236 ( -0.000 -2.627 2.488) 3.618 2.475 ( -0.000 -1.792 0.048) 1.793 2.547 ( 0.000 -1.366 -0.678) 1.525 2.682 ( 0.000 -0.602 -0.563) 0.824 2.793 ( 0.000 1.022 -0.218) 1.045 2.948 ( 0.000 -0.760 -0.285) 0.811 2.969 ( -0.000 1.597 0.144) 1.603 3.080 ( 0.000 0.229 -1.445) 1.463 3.134 ( -0.000 0.573 0.457) 0.733 3.169 ( -0.000 0.727 0.824) 1.099 3.252 ( -0.000 -1.137 0.200) 1.154 3.673 ( -0.000 -0.206 0.232) 0.310 3.690 ( 0.000 -1.481 -0.410) 1.537 ======================= Grid point 86 (49/231) ======================= q-point: (-0.46 -0.54 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 2.758 0.000 -0.000) 2.758 1.090 ( 7.762 0.000 -0.000) 7.762 1.307 ( 5.684 0.000 -0.000) 5.684 1.328 ( 2.035 0.000 -0.000) 2.035 1.416 ( 1.622 0.000 -0.000) 1.622 1.650 ( -0.590 -0.000 0.000) 0.590 1.696 ( -3.177 -0.000 0.000) 3.177 1.865 ( 0.881 0.000 -0.000) 0.881 2.204 ( -1.828 -0.000 0.000) 1.828 2.498 ( 3.411 0.000 -0.000) 3.411 2.564 ( 2.609 0.000 -0.000) 2.609 2.696 ( 1.710 0.000 -0.000) 1.710 2.813 ( 1.665 0.000 -0.000) 1.665 2.935 ( -0.995 -0.000 0.000) 0.995 2.975 ( -0.169 -0.000 0.000) 0.169 3.029 ( -4.279 -0.000 0.000) 4.279 3.158 ( -1.865 -0.000 0.000) 1.865 3.173 ( 2.508 0.000 -0.000) 2.508 3.221 ( -2.639 -0.000 0.000) 2.639 3.643 ( -3.430 -0.000 0.000) 3.430 3.647 ( -3.794 -0.000 0.000) 3.794 ======================= Grid point 187 (50/231) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.047 ( -0.000 0.000 12.075) 12.075 0.097 ( -0.000 0.000 17.161) 17.161 0.097 ( -0.000 0.000 17.161) 17.161 0.955 ( 0.000 -0.000 -3.205) 3.205 0.955 ( 0.000 -0.000 -3.205) 3.205 1.400 ( 0.000 -0.000 -4.188) 4.188 1.462 ( -0.000 0.000 0.363) 0.363 1.462 ( -0.000 0.000 0.363) 0.363 1.988 ( -0.000 0.000 5.802) 5.802 1.988 ( -0.000 0.000 5.802) 5.802 2.237 ( 0.000 -0.000 -0.383) 0.383 2.835 ( 0.000 -0.000 -1.759) 1.759 2.835 ( 0.000 -0.000 -1.759) 1.759 3.167 ( 0.000 -0.000 -1.506) 1.506 3.167 ( 0.000 -0.000 -1.506) 1.506 3.297 ( 0.000 -0.000 -0.068) 0.068 3.297 ( 0.000 -0.000 -0.068) 0.068 3.385 ( 0.000 -0.000 -5.103) 5.103 3.651 ( 0.000 -0.000 -1.955) 1.955 4.086 ( 0.000 -0.000 -3.223) 3.223 4.231 ( -0.000 0.000 3.148) 3.148 ======================= Grid point 188 (51/231) ======================= q-point: ( 0.15 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.331 ( 14.620 8.441 -0.032) 16.882 0.428 ( 16.699 9.641 2.148) 19.402 0.615 ( 23.402 13.511 6.021) 27.685 0.995 ( 3.499 2.020 -2.814) 4.924 1.033 ( 6.517 3.762 -5.151) 9.119 1.362 ( -0.914 -0.528 -2.313) 2.543 1.451 ( -0.966 -0.558 0.405) 1.187 1.508 ( 3.096 1.787 -1.942) 4.068 2.062 ( 4.980 2.875 7.375) 9.352 2.213 ( -1.820 -1.051 -1.022) 2.337 2.803 ( -2.028 -1.171 -2.685) 3.563 2.816 ( 0.894 0.516 -7.960) 8.026 2.973 ( 9.910 5.721 -22.261) 25.029 3.127 ( -1.727 -0.997 0.067) 1.995 3.140 ( -2.095 -1.210 -1.675) 2.942 3.281 ( -1.278 -0.738 -0.117) 1.480 3.315 ( 1.180 0.681 -1.934) 2.366 3.386 ( -1.353 -0.781 1.795) 2.379 3.578 ( -1.491 -0.861 -1.214) 2.106 4.010 ( -4.403 -2.542 -1.841) 5.408 4.179 ( -4.743 -2.739 2.984) 6.237 ======================= Grid point 189 (52/231) ======================= q-point: ( 0.23 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 12.897 7.446 -0.983) 14.925 0.787 ( 13.687 7.902 -0.810) 15.825 1.091 ( 4.640 2.679 -0.987) 5.448 1.110 ( 15.554 8.980 1.167) 17.998 1.191 ( 8.688 5.016 -6.130) 11.757 1.394 ( 4.461 2.576 4.222) 6.660 1.422 ( -1.444 -0.834 0.071) 1.669 1.583 ( 3.729 2.153 -2.907) 5.195 2.154 ( -2.508 -1.448 -3.350) 4.428 2.230 ( 7.919 4.572 6.882) 11.444 2.745 ( -2.271 -1.311 -2.528) 3.642 2.801 ( -1.007 -0.582 -4.666) 4.809 3.008 ( -2.382 -1.375 -9.093) 9.500 3.064 ( -4.182 -2.414 -1.627) 5.095 3.117 ( -0.580 -0.335 1.496) 1.639 3.240 ( -2.146 -1.239 -0.317) 2.498 3.277 ( -4.008 -2.314 0.269) 4.636 3.396 ( 1.738 1.004 2.059) 2.875 3.565 ( 0.409 0.236 -4.344) 4.370 3.876 ( -6.432 -3.713 -2.143) 7.730 4.040 ( -7.231 -4.175 2.270) 8.653 ======================= Grid point 190 (53/231) ======================= q-point: ( 0.31 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 9.672 5.584 -3.308) 11.648 1.040 ( 7.707 4.450 -2.505) 9.245 1.180 ( 2.646 1.527 1.266) 3.307 1.262 ( 3.018 1.742 0.420) 3.510 1.398 ( 5.532 3.194 -1.338) 6.526 1.405 ( 0.808 0.467 -0.362) 1.001 1.541 ( 2.869 1.657 -0.156) 3.317 1.734 ( 11.385 6.573 0.131) 13.147 2.111 ( 0.111 0.064 -4.034) 4.036 2.431 ( 8.036 4.640 4.391) 10.266 2.698 ( -1.534 -0.885 -1.503) 2.322 2.754 ( -2.340 -1.351 -3.459) 4.389 2.900 ( -5.186 -2.994 -5.905) 8.410 2.952 ( -4.685 -2.705 -0.942) 5.491 3.062 ( -3.804 -2.196 1.070) 4.521 3.186 ( -3.400 -1.963 -0.172) 3.930 3.187 ( -2.262 -1.306 -0.454) 2.651 3.408 ( -1.665 -0.961 1.168) 2.250 3.541 ( -3.387 -1.955 -1.395) 4.152 3.749 ( -2.804 -1.619 -2.068) 3.842 3.880 ( -6.231 -3.597 1.336) 7.318 ======================= Grid point 191 (54/231) ======================= q-point: ( 0.38 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -2.126 -1.228 -0.247) 2.468 1.095 ( 6.674 3.853 -5.741) 9.610 1.249 ( 3.396 1.960 -1.555) 4.218 1.252 ( -4.550 -2.627 4.688) 7.042 1.468 ( 3.876 2.238 0.602) 4.516 1.479 ( 0.922 0.533 -2.220) 2.462 1.574 ( 3.371 1.946 -1.604) 4.210 1.942 ( 3.800 2.194 -3.310) 5.496 2.166 ( 4.610 2.662 0.953) 5.408 2.579 ( 1.773 1.024 -0.163) 2.054 2.662 ( 0.137 0.079 0.553) 0.575 2.683 ( -3.186 -1.839 -2.359) 4.370 2.776 ( -3.850 -2.223 -3.489) 5.652 2.883 ( -0.464 -0.268 0.554) 0.771 2.979 ( -2.925 -1.689 0.667) 3.443 3.127 ( -1.625 -0.938 -1.390) 2.335 3.140 ( -1.559 -0.900 -0.185) 1.810 3.322 ( -5.117 -2.954 -0.878) 5.974 3.416 ( -5.928 -3.422 1.282) 6.964 3.728 ( -0.134 -0.077 -0.459) 0.485 3.773 ( -3.123 -1.803 -0.026) 3.606 ======================= Grid point 192 (55/231) ======================= q-point: ( 0.46 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -3.602 -2.080 0.570) 4.198 1.065 ( -7.740 -4.469 1.052) 8.999 1.256 ( 5.170 2.985 -4.567) 7.517 1.308 ( 1.941 1.121 -2.230) 3.161 1.450 ( -2.031 -1.172 -0.037) 2.345 1.555 ( 3.068 1.771 1.041) 3.693 1.682 ( 4.575 2.641 -0.603) 5.317 1.919 ( -3.471 -2.004 -4.218) 5.819 2.245 ( 0.823 0.475 3.610) 3.733 2.500 ( -4.794 -2.768 -0.770) 5.588 2.608 ( -2.758 -1.592 -1.668) 3.595 2.730 ( 2.891 1.669 -0.043) 3.338 2.739 ( 0.771 0.445 -1.172) 1.472 2.916 ( 2.274 1.313 0.656) 2.707 2.939 ( -0.688 -0.397 0.750) 1.093 3.079 ( -2.858 -1.650 -2.737) 4.287 3.117 ( -0.543 -0.314 0.488) 0.794 3.237 ( -0.776 -0.448 -0.827) 1.219 3.300 ( -4.120 -2.379 1.726) 5.061 3.708 ( -1.445 -0.834 1.046) 1.969 3.729 ( -0.977 -0.564 -1.429) 1.820 ======================= Grid point 193 (56/231) ======================= q-point: ( 0.54 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -4.117 -2.377 1.561) 5.003 0.953 ( -1.583 -0.914 1.051) 2.109 1.335 ( 0.801 0.462 -2.028) 2.229 1.350 ( 2.991 1.727 -3.857) 5.177 1.413 ( -0.772 -0.446 0.971) 1.318 1.605 ( 1.004 0.580 1.150) 1.633 1.752 ( 1.259 0.727 -0.912) 1.716 1.837 ( -1.668 -0.963 -1.280) 2.313 2.238 ( -1.290 -0.745 2.279) 2.722 2.415 ( -1.989 -1.148 0.461) 2.342 2.559 ( -1.042 -0.602 -0.883) 1.493 2.765 ( 0.914 0.528 -0.015) 1.055 2.771 ( 0.846 0.489 -1.466) 1.762 2.930 ( -0.512 -0.296 0.561) 0.815 2.961 ( 1.144 0.661 0.292) 1.353 3.026 ( -0.493 -0.285 -0.966) 1.121 3.111 ( -0.165 -0.095 0.815) 0.837 3.236 ( -1.645 -0.950 0.542) 1.975 3.252 ( 0.975 0.563 -0.473) 1.221 3.687 ( -0.242 -0.140 0.122) 0.305 3.703 ( -0.968 -0.559 -0.679) 1.308 ======================= Grid point 194 (57/231) ======================= q-point: (-0.38 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 3.573 2.063 1.081) 4.265 0.954 ( 1.498 0.865 1.296) 2.161 1.338 ( -0.228 -0.132 -1.534) 1.557 1.368 ( -0.518 -0.299 -1.319) 1.448 1.422 ( 0.630 0.363 3.039) 3.125 1.604 ( -1.260 -0.727 1.042) 1.789 1.740 ( -1.392 -0.804 -2.541) 3.007 1.866 ( 3.183 1.838 3.034) 4.767 2.213 ( -0.446 -0.258 -1.891) 1.960 2.421 ( 2.318 1.338 1.458) 3.048 2.563 ( 1.529 0.883 -0.047) 1.766 2.768 ( -0.814 -0.470 -2.056) 2.261 2.771 ( -0.474 -0.273 0.985) 1.126 2.934 ( 0.431 0.249 1.087) 1.196 2.961 ( -1.283 -0.741 0.203) 1.496 3.040 ( 1.642 0.948 1.532) 2.437 3.109 ( -0.121 -0.070 0.394) 0.418 3.221 ( 0.464 0.268 -1.969) 2.041 3.256 ( -0.564 -0.325 -0.053) 0.653 3.684 ( 0.010 0.006 -0.476) 0.476 3.706 ( 1.275 0.736 -0.123) 1.477 ======================= Grid point 195 (58/231) ======================= q-point: (-0.31 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 3.387 1.955 0.795) 3.991 1.048 ( 6.929 4.001 -1.609) 8.161 1.309 ( -4.768 -2.753 3.785) 6.681 1.319 ( -1.295 -0.748 -0.340) 1.534 1.462 ( 2.330 1.345 2.166) 3.454 1.551 ( -3.370 -1.946 0.460) 3.919 1.678 ( -3.650 -2.108 -1.113) 4.360 1.957 ( 3.485 2.012 1.706) 4.371 2.211 ( -0.460 -0.266 -1.691) 1.772 2.515 ( 5.005 2.890 1.766) 6.043 2.621 ( 3.149 1.818 0.586) 3.683 2.723 ( -2.902 -1.676 -1.182) 3.553 2.759 ( 0.013 0.008 1.994) 1.994 2.910 ( -2.588 -1.494 -0.390) 3.014 2.941 ( 0.578 0.334 1.032) 1.229 3.099 ( 1.975 1.140 0.730) 2.395 3.112 ( 0.553 0.319 -0.224) 0.677 3.240 ( 1.773 1.024 -0.784) 2.193 3.278 ( 3.680 2.124 -1.490) 4.503 3.696 ( 1.040 0.601 -1.048) 1.594 3.741 ( 1.456 0.841 0.516) 1.759 ======================= Grid point 196 (59/231) ======================= q-point: (-0.23 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 2.461 1.421 -0.157) 2.847 1.140 ( -3.680 -2.124 0.443) 4.272 1.211 ( 0.336 0.194 -0.847) 0.932 1.266 ( -3.748 -2.164 1.252) 4.506 1.461 ( -3.759 -2.170 -0.405) 4.359 1.506 ( -0.453 -0.262 2.271) 2.330 1.587 ( -2.900 -1.674 0.616) 3.405 1.978 ( -4.701 -2.714 2.849) 6.131 2.143 ( -3.033 -1.751 -3.123) 4.693 2.587 ( -4.283 -2.473 1.415) 5.144 2.654 ( 1.417 0.818 -0.907) 1.870 2.702 ( 3.527 2.036 0.719) 4.135 2.827 ( 5.189 2.996 4.610) 7.560 2.881 ( 1.093 0.631 0.157) 1.272 2.978 ( 2.384 1.377 0.386) 2.780 3.121 ( 1.161 0.670 -1.815) 2.257 3.137 ( 1.691 0.976 -0.663) 2.062 3.323 ( 4.387 2.533 -1.205) 5.207 3.402 ( 6.732 3.886 -0.548) 7.792 3.724 ( 1.564 0.903 -0.788) 1.970 3.778 ( 1.976 1.141 0.616) 2.363 ======================= Grid point 197 (60/231) ======================= q-point: (-0.15 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -10.441 -6.028 4.239) 12.780 1.069 ( -7.099 -4.099 2.396) 8.541 1.161 ( -3.358 -1.939 -1.866) 4.303 1.233 ( 0.053 0.031 -4.778) 4.779 1.408 ( -0.536 -0.309 0.024) 0.619 1.415 ( -6.206 -3.583 1.420) 7.305 1.539 ( -5.315 -3.069 -0.365) 6.148 1.738 ( -11.445 -6.608 0.740) 13.236 2.134 ( 1.208 0.697 -0.183) 1.407 2.406 ( -9.234 -5.331 0.099) 10.663 2.706 ( 2.082 1.202 -0.017) 2.404 2.779 ( 2.851 1.646 0.854) 3.401 2.959 ( 4.544 2.623 0.124) 5.248 2.962 ( 4.904 2.831 0.789) 5.717 3.057 ( 4.262 2.461 2.668) 5.598 3.165 ( 2.826 1.632 -2.871) 4.346 3.185 ( 2.379 1.373 -0.783) 2.856 3.397 ( 1.537 0.888 -1.012) 2.043 3.546 ( 4.631 2.674 -0.269) 5.354 3.778 ( 3.532 2.039 2.640) 4.858 3.859 ( 5.526 3.191 -1.779) 6.625 ======================= Grid point 198 (61/231) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -13.577 -7.839 3.562) 16.077 0.809 ( -14.327 -8.271 3.077) 16.827 1.082 ( -3.695 -2.134 -2.594) 4.993 1.085 ( -16.962 -9.793 -2.812) 19.787 1.245 ( -8.340 -4.815 0.874) 9.670 1.347 ( -2.597 -1.500 -1.789) 3.492 1.422 ( 1.248 0.721 0.211) 1.457 1.597 ( -3.549 -2.049 -0.571) 4.138 2.174 ( 1.982 1.144 0.189) 2.296 2.195 ( -8.531 -4.925 0.870) 9.889 2.760 ( 2.574 1.486 0.272) 2.985 2.829 ( 1.245 0.719 0.264) 1.461 3.029 ( 2.416 1.395 -9.416) 9.821 3.073 ( 4.125 2.382 -0.082) 4.764 3.133 ( 0.930 0.537 4.206) 4.341 3.238 ( 2.236 1.291 -0.578) 2.646 3.253 ( 5.030 2.904 -0.726) 5.853 3.385 ( -2.057 -1.187 -0.122) 2.378 3.600 ( 0.517 0.299 1.259) 1.394 3.900 ( 5.849 3.377 1.513) 6.921 4.016 ( 7.452 4.302 -0.676) 8.631 ======================= Grid point 201 (62/231) ======================= q-point: ( 0.15 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( -0.000 17.784 4.701) 18.395 0.473 ( -0.000 19.173 6.513) 20.249 0.583 ( -0.000 26.324 2.953) 26.489 0.973 ( 0.000 3.353 -5.172) 6.164 1.037 ( 0.000 8.332 -4.576) 9.506 1.347 ( 0.000 -1.716 -4.414) 4.736 1.452 ( -0.000 -1.076 0.429) 1.159 1.507 ( 0.000 3.479 -1.813) 3.923 2.069 ( -0.000 5.371 8.029) 9.659 2.213 ( 0.000 -1.895 -1.236) 2.263 2.809 ( 0.000 -1.966 -1.991) 2.798 2.816 ( 0.000 2.708 -11.496) 11.811 2.873 ( 0.000 10.285 -19.348) 21.911 3.135 ( 0.000 -2.334 -2.450) 3.384 3.140 ( 0.000 -0.623 -2.514) 2.590 3.279 ( 0.000 -1.654 -0.263) 1.675 3.311 ( 0.000 1.380 -0.699) 1.547 3.381 ( 0.000 -1.587 -0.830) 1.791 3.604 ( 0.000 -0.350 -0.275) 0.445 4.013 ( 0.000 -4.491 -1.678) 4.794 4.181 ( -0.000 -5.999 2.474) 6.489 ======================= Grid point 202 (63/231) ======================= q-point: ( 0.23 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 5.410 14.746 4.311) 16.288 0.752 ( 6.841 17.453 1.465) 18.803 0.963 ( 12.269 15.668 0.862) 19.919 1.054 ( 5.368 5.986 -3.793) 8.891 1.138 ( 2.653 7.846 -5.907) 10.174 1.352 ( 2.510 1.251 0.424) 2.837 1.438 ( -0.459 -0.815 0.425) 1.027 1.554 ( 1.823 3.424 -3.049) 4.934 2.166 ( -1.478 -1.787 -1.559) 2.794 2.192 ( 3.924 5.932 6.708) 9.776 2.752 ( -2.134 -2.388 -2.836) 4.278 2.805 ( -0.637 0.087 -5.721) 5.757 2.970 ( 3.252 -0.193 -9.349) 9.900 3.100 ( -1.855 -2.116 -3.319) 4.352 3.124 ( 0.242 0.438 -0.328) 0.599 3.238 ( -1.552 -2.796 -0.534) 3.242 3.299 ( -1.895 -3.708 -0.136) 4.166 3.386 ( 1.911 1.558 0.046) 2.466 3.577 ( -2.058 0.687 -2.135) 3.044 3.920 ( -4.205 -5.328 -1.428) 6.936 4.078 ( -3.734 -7.903 1.342) 8.843 ======================= Grid point 203 (64/231) ======================= q-point: ( 0.31 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 6.825 10.277 1.521) 12.430 1.011 ( 5.131 12.265 -2.080) 13.457 1.162 ( 4.995 4.289 -0.055) 6.584 1.218 ( 3.429 4.660 -4.222) 7.162 1.308 ( 6.570 3.493 -1.723) 7.638 1.430 ( 0.311 2.832 0.545) 2.901 1.488 ( 5.747 4.170 2.568) 7.551 1.646 ( 6.004 6.500 -1.695) 9.009 2.098 ( -1.467 -2.582 -4.756) 5.607 2.364 ( 6.241 5.902 6.205) 10.597 2.690 ( -1.219 -2.756 -2.313) 3.798 2.776 ( -1.453 -0.516 -3.522) 3.845 2.947 ( -2.350 -1.294 -5.222) 5.871 3.014 ( -4.582 -1.742 -2.957) 5.725 3.110 ( -2.890 -1.030 1.343) 3.349 3.174 ( -1.564 -4.591 -1.844) 5.189 3.214 ( -1.908 -3.963 0.554) 4.434 3.430 ( -0.174 1.043 1.212) 1.609 3.553 ( -0.504 -0.605 -2.814) 2.922 3.776 ( -4.981 -5.230 -1.018) 7.294 3.920 ( -4.770 -7.843 0.516) 9.194 ======================= Grid point 204 (65/231) ======================= q-point: ( 0.38 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 5.317 6.587 -1.932) 8.683 1.142 ( -1.105 4.786 -2.116) 5.348 1.244 ( 1.234 4.536 0.801) 4.769 1.307 ( 1.254 2.824 1.590) 3.475 1.422 ( 5.412 2.769 -1.884) 6.365 1.465 ( -0.400 2.414 -0.207) 2.455 1.540 ( 1.037 -0.737 -1.583) 2.031 1.876 ( 7.327 6.498 -1.176) 9.864 2.085 ( 4.262 -1.520 -2.389) 5.116 2.528 ( 5.587 3.626 2.814) 7.230 2.642 ( -0.899 -2.940 -1.564) 3.450 2.740 ( -1.890 0.510 -1.916) 2.739 2.848 ( -6.252 -0.694 -3.102) 7.013 2.925 ( -3.857 0.285 -0.842) 3.958 3.033 ( -4.106 -0.935 1.044) 4.339 3.096 ( -0.428 -4.893 -2.824) 5.666 3.162 ( -0.924 -2.332 0.156) 2.513 3.383 ( -4.639 -1.853 0.276) 5.003 3.485 ( -5.373 -3.142 -0.324) 6.232 3.694 ( 1.056 -3.489 -0.848) 3.742 3.782 ( -2.640 -6.098 0.107) 6.646 ======================= Grid point 205 (66/231) ======================= q-point: ( 0.46 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -5.171 0.323 0.463) 5.202 1.153 ( 1.977 4.330 -4.700) 6.689 1.263 ( -6.857 2.683 1.743) 7.566 1.322 ( 0.404 5.412 -1.422) 5.610 1.461 ( -0.174 -1.270 -0.305) 1.318 1.525 ( 3.195 2.771 0.667) 4.282 1.606 ( 5.570 1.417 -1.139) 5.860 1.935 ( -1.274 -1.143 -3.692) 4.070 2.189 ( 5.909 -0.741 1.643) 6.177 2.561 ( -3.479 -1.136 -1.448) 3.935 2.648 ( 1.103 0.796 -0.593) 1.484 2.690 ( -2.431 0.827 -0.625) 2.643 2.778 ( -1.480 2.188 -0.530) 2.694 2.893 ( 0.079 0.048 1.322) 1.325 2.969 ( -2.652 -0.256 1.076) 2.873 3.060 ( 0.716 -2.352 -4.030) 4.721 3.142 ( 0.100 -0.375 0.529) 0.656 3.258 ( -5.188 -3.055 -1.028) 6.108 3.354 ( -5.126 -3.222 1.122) 6.158 3.687 ( 1.321 -4.017 0.651) 4.278 3.708 ( 0.067 -4.228 -1.111) 4.372 ======================= Grid point 206 (67/231) ======================= q-point: ( 0.54 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -5.709 0.587 0.457) 5.757 1.102 ( -8.956 6.306 0.986) 10.998 1.284 ( 3.561 1.962 -3.789) 5.557 1.367 ( -0.678 4.399 -1.179) 4.604 1.433 ( -1.532 -0.308 0.689) 1.708 1.597 ( 1.749 1.876 0.968) 2.742 1.699 ( 4.287 -0.838 -0.853) 4.450 1.862 ( -3.106 -1.677 -2.600) 4.384 2.238 ( 1.109 -1.535 2.317) 2.993 2.481 ( -4.550 1.169 -0.085) 4.699 2.596 ( -3.416 0.857 -1.172) 3.712 2.731 ( 2.098 0.578 -0.354) 2.205 2.796 ( -0.272 3.023 -0.269) 3.047 2.916 ( 2.529 -1.896 1.584) 3.536 2.939 ( -0.814 -0.414 0.835) 1.237 3.037 ( -0.916 -0.192 -4.180) 4.283 3.125 ( -1.674 -0.136 1.396) 2.184 3.213 ( 2.519 -1.729 -0.738) 3.143 3.258 ( -2.835 -2.304 1.054) 3.802 3.660 ( 1.024 -3.958 0.361) 4.105 3.681 ( 0.839 -3.696 -0.989) 3.917 ======================= Grid point 207 (68/231) ======================= q-point: (-0.38 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -2.119 4.222 1.447) 4.941 1.054 ( -5.725 9.258 1.531) 10.993 1.340 ( 1.619 0.917 -3.752) 4.188 1.377 ( -1.652 2.033 -0.770) 2.731 1.425 ( 0.079 0.892 2.085) 2.269 1.621 ( -0.472 0.465 0.763) 1.010 1.722 ( 0.882 -2.733 -2.000) 3.500 1.838 ( 1.512 0.881 1.672) 2.421 2.223 ( -1.272 -0.663 -0.685) 1.589 2.449 ( -1.859 3.911 1.382) 4.545 2.572 ( -0.711 2.058 -0.430) 2.220 2.749 ( 0.281 -0.554 -0.964) 1.147 2.810 ( -1.298 2.188 -0.738) 2.649 2.924 ( 1.103 -2.169 2.144) 3.243 2.936 ( 0.599 -1.182 0.142) 1.333 3.041 ( 1.365 1.501 -1.214) 2.365 3.110 ( -0.331 -0.601 1.645) 1.782 3.211 ( -0.523 -1.448 -0.511) 1.622 3.235 ( 1.434 -1.918 -0.621) 2.474 3.653 ( 1.644 -3.256 -0.287) 3.658 3.662 ( 2.077 -3.066 -0.542) 3.743 ======================= Grid point 208 (69/231) ======================= q-point: (-0.31 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 1.776 5.877 1.627) 6.351 1.093 ( -1.677 10.963 0.289) 11.094 1.345 ( -1.519 -1.790 0.834) 2.491 1.356 ( -1.988 2.325 -1.459) 3.390 1.448 ( 0.992 1.093 2.355) 2.779 1.594 ( -2.601 -0.821 0.649) 2.803 1.686 ( -1.006 -3.549 -1.950) 4.173 1.906 ( 3.694 1.048 1.392) 4.084 2.203 ( 0.046 -0.295 -1.034) 1.076 2.500 ( 1.743 5.160 1.959) 5.788 2.609 ( 1.536 3.655 0.186) 3.969 2.728 ( -1.201 -1.857 -1.129) 2.483 2.796 ( -1.814 1.274 -0.072) 2.218 2.904 ( -0.214 -3.820 0.298) 3.837 2.942 ( 0.520 0.351 1.172) 1.330 3.098 ( 1.611 1.286 -1.964) 2.847 3.105 ( -0.003 1.591 3.491) 3.837 3.204 ( 1.307 -1.684 -1.862) 2.830 3.238 ( 2.290 -0.078 -0.606) 2.371 3.651 ( 2.310 -3.013 -0.622) 3.848 3.689 ( 3.462 -2.410 -0.189) 4.222 ======================= Grid point 209 (70/231) ======================= q-point: (-0.23 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 1.452 4.859 0.382) 5.085 1.177 ( -1.360 5.647 -1.994) 6.141 1.274 ( -4.100 0.648 2.720) 4.963 1.333 ( -3.476 1.787 -0.349) 3.924 1.488 ( 1.516 -0.107 1.639) 2.235 1.524 ( -3.977 -0.640 1.041) 4.161 1.609 ( -2.531 -4.142 -0.892) 4.935 1.973 ( 3.144 -0.427 -0.370) 3.195 2.169 ( -3.516 -3.667 -0.018) 5.080 2.589 ( 2.461 2.529 1.421) 3.804 2.652 ( -2.524 -2.715 -0.082) 3.708 2.699 ( 1.418 3.913 -0.103) 4.163 2.805 ( 1.767 2.698 2.284) 3.952 2.877 ( 0.733 0.136 -0.454) 0.873 2.968 ( 1.035 1.754 0.887) 2.221 3.099 ( -0.233 -1.198 1.013) 1.586 3.115 ( 0.963 -0.658 -2.572) 2.824 3.265 ( 4.934 2.375 -1.320) 5.633 3.331 ( 5.705 3.733 -0.173) 6.820 3.670 ( 3.215 -2.660 -0.879) 4.264 3.725 ( 3.477 -2.521 0.345) 4.309 ======================= Grid point 210 (71/231) ======================= q-point: (-0.15 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -8.020 -3.952 3.219) 9.503 1.145 ( -0.762 3.449 -2.072) 4.095 1.249 ( -7.583 0.495 1.186) 7.691 1.269 ( -2.653 3.975 -2.762) 5.520 1.434 ( -3.988 -1.570 -0.402) 4.305 1.471 ( -2.942 -2.342 0.306) 3.773 1.566 ( -0.368 -0.724 0.723) 1.087 1.902 ( -11.893 -4.480 1.750) 12.829 2.089 ( 2.557 -2.373 -2.312) 4.185 2.511 ( -7.734 -4.019 1.012) 8.774 2.654 ( 3.078 -0.405 -0.321) 3.121 2.757 ( 1.762 1.713 -0.317) 2.478 2.922 ( 4.752 5.088 2.209) 7.304 2.948 ( 2.562 4.964 0.713) 5.632 3.012 ( 2.896 1.541 -0.530) 3.323 3.102 ( 2.985 -1.682 -0.376) 3.447 3.145 ( 2.846 -0.576 -1.512) 3.274 3.372 ( 3.555 3.096 -1.116) 4.844 3.479 ( 6.105 3.383 -0.622) 7.007 3.711 ( 4.493 -1.876 0.821) 4.937 3.774 ( 5.136 -1.178 -0.488) 5.292 ======================= Grid point 211 (72/231) ======================= q-point: (-0.08 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -12.546 -4.489 2.838) 13.624 1.048 ( -14.454 -0.135 2.302) 14.637 1.133 ( -3.724 0.309 -3.564) 5.163 1.238 ( -4.926 1.692 -3.042) 6.031 1.325 ( -5.346 -4.296 -0.536) 6.879 1.427 ( -1.201 1.064 0.217) 1.619 1.459 ( -11.552 -3.051 0.888) 11.981 1.660 ( -7.206 -1.651 -0.489) 7.409 2.131 ( 3.232 -0.473 -1.039) 3.428 2.324 ( -9.602 -2.491 1.816) 10.085 2.706 ( 3.561 -0.435 -0.444) 3.614 2.804 ( 2.203 0.415 -0.638) 2.331 3.001 ( 1.431 2.467 -7.402) 7.932 3.044 ( 3.510 3.869 -0.333) 5.234 3.105 ( 3.050 -0.207 4.545) 5.478 3.171 ( 6.233 0.745 -0.242) 6.282 3.188 ( 3.212 -0.659 -0.906) 3.401 3.418 ( -0.937 1.330 -0.209) 1.640 3.574 ( 2.684 0.208 -0.788) 2.805 3.804 ( 7.025 -0.243 1.353) 7.158 3.898 ( 8.764 1.393 -0.450) 8.885 ======================= Grid point 215 (73/231) ======================= q-point: ( 0.23 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -0.000 16.187 7.298) 17.757 0.849 ( -0.000 15.877 3.746) 16.313 1.038 ( 0.000 4.597 -4.995) 6.789 1.043 ( 0.000 15.009 -5.243) 15.899 1.201 ( 0.000 10.176 -5.793) 11.710 1.365 ( -0.000 6.856 2.596) 7.331 1.425 ( -0.000 -1.536 0.236) 1.554 1.575 ( 0.000 4.413 -2.863) 5.260 2.154 ( 0.000 -2.879 -3.980) 4.912 2.246 ( -0.000 8.882 7.905) 11.890 2.752 ( 0.000 -2.770 -1.861) 3.337 2.798 ( 0.000 -0.461 -5.909) 5.927 2.920 ( 0.000 0.369 -6.163) 6.174 3.059 ( 0.000 -4.093 -2.316) 4.703 3.131 ( 0.000 0.412 -2.492) 2.526 3.230 ( 0.000 -2.928 -0.778) 3.029 3.265 ( -0.000 -6.350 0.161) 6.352 3.381 ( 0.000 2.080 -0.780) 2.221 3.598 ( 0.000 -0.949 -1.126) 1.472 3.903 ( 0.000 -5.429 -0.656) 5.468 4.020 ( -0.000 -9.859 -0.105) 9.859 ======================= Grid point 216 (74/231) ======================= q-point: ( 0.31 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 0.816 13.515 6.448) 14.997 1.067 ( 2.134 10.723 -1.857) 11.090 1.088 ( 6.601 5.187 -1.701) 8.565 1.182 ( 5.838 3.397 -6.231) 9.190 1.303 ( -0.288 7.883 -2.776) 8.362 1.430 ( 1.824 0.423 0.303) 1.897 1.485 ( 1.830 8.387 2.844) 9.043 1.648 ( 2.520 9.533 -1.377) 9.956 2.094 ( -2.116 -3.131 -5.289) 6.500 2.373 ( 2.292 8.412 6.579) 10.922 2.692 ( -2.361 -2.550 -2.061) 4.040 2.778 ( -0.365 -1.092 -3.519) 3.703 2.927 ( 1.565 -1.023 -3.678) 4.126 3.023 ( 0.162 -4.213 -3.171) 5.275 3.122 ( -0.528 -1.056 -1.044) 1.576 3.172 ( -2.492 -4.355 -0.587) 5.052 3.185 ( -1.051 -5.675 -0.129) 5.773 3.416 ( 2.109 0.302 -0.070) 2.131 3.559 ( -1.740 -2.465 -1.437) 3.342 3.811 ( -4.362 -4.694 0.154) 6.410 3.895 ( -2.613 -9.399 -1.087) 9.816 ======================= Grid point 217 (75/231) ======================= q-point: ( 0.38 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 1.376 9.229 3.343) 9.912 1.162 ( 4.442 3.451 -3.307) 6.525 1.271 ( 2.504 4.773 1.403) 5.569 1.314 ( 2.303 5.581 -2.618) 6.581 1.346 ( 4.795 4.358 -2.060) 6.799 1.479 ( 2.010 0.600 0.864) 2.269 1.538 ( -1.177 1.468 -1.722) 2.550 1.850 ( 5.542 12.122 0.031) 13.328 2.018 ( -0.890 -3.566 -4.237) 5.609 2.504 ( 3.081 6.001 4.069) 7.877 2.633 ( -1.286 -2.018 -1.504) 2.827 2.753 ( -0.563 -0.777 -1.479) 1.763 2.923 ( -2.407 -0.457 -2.530) 3.522 2.967 ( -0.625 -1.421 -3.723) 4.034 3.055 ( -2.023 -5.723 -2.757) 6.666 3.091 ( -3.313 -1.407 1.317) 3.833 3.128 ( -0.007 -4.537 0.493) 4.563 3.426 ( -1.137 -2.395 0.907) 2.802 3.503 ( -0.551 -3.735 -1.637) 4.115 3.677 ( -4.841 -4.197 0.429) 6.421 3.756 ( -2.951 -7.405 -1.009) 8.034 ======================= Grid point 218 (76/231) ======================= q-point: ( 0.46 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 0.427 3.927 1.096) 4.099 1.208 ( -2.870 4.262 -2.714) 5.811 1.348 ( 3.615 3.902 0.315) 5.328 1.389 ( 0.407 4.889 -0.245) 4.913 1.457 ( -2.174 1.179 -2.511) 3.525 1.510 ( 0.592 1.106 0.688) 1.431 1.531 ( 4.581 1.686 -0.460) 4.903 1.950 ( -1.540 0.677 -2.093) 2.685 2.063 ( 7.177 1.423 -0.699) 7.350 2.587 ( -1.356 -0.855 -1.258) 2.037 2.616 ( 2.860 3.162 1.657) 4.574 2.746 ( -0.254 0.351 -0.528) 0.683 2.838 ( -4.509 0.430 -1.640) 4.817 2.932 ( -3.914 -0.993 0.040) 4.038 2.985 ( 0.438 -2.995 -1.786) 3.515 3.042 ( -1.555 0.935 -1.726) 2.504 3.094 ( 1.794 -4.218 0.802) 4.654 3.333 ( -5.553 -3.544 -0.254) 6.592 3.418 ( -4.979 -3.148 0.131) 5.892 3.606 ( 1.408 -4.843 0.275) 5.051 3.651 ( -0.754 -6.476 -0.723) 6.559 ======================= Grid point 219 (77/231) ======================= q-point: ( 0.54 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -5.474 2.323 -0.578) 5.974 1.235 ( 0.198 4.654 -2.621) 5.345 1.350 ( -6.734 4.977 -0.624) 8.397 1.428 ( 0.111 3.758 1.666) 4.112 1.452 ( -0.508 1.482 0.175) 1.577 1.560 ( 4.422 -0.170 0.085) 4.426 1.621 ( 2.895 0.877 -0.942) 3.168 1.906 ( -3.234 0.272 -1.690) 3.660 2.174 ( 4.901 -0.264 0.270) 4.916 2.548 ( -1.792 0.485 -1.145) 2.181 2.681 ( -1.517 2.075 -0.502) 2.619 2.716 ( -1.510 1.689 -0.076) 2.267 2.823 ( 0.661 2.040 1.110) 2.414 2.868 ( -0.502 -2.903 1.485) 3.299 2.952 ( -1.270 -1.596 0.263) 2.056 3.043 ( -0.054 1.495 -3.972) 4.244 3.122 ( 4.044 -1.653 0.219) 4.375 3.186 ( -5.726 -3.967 -0.990) 7.036 3.305 ( -4.840 -1.905 1.397) 5.386 3.582 ( 1.670 -6.137 0.583) 6.386 3.602 ( 2.128 -5.776 -1.105) 6.254 ======================= Grid point 220 (78/231) ======================= q-point: ( 0.62 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -4.678 5.218 -0.013) 7.008 1.257 ( -3.409 6.153 -1.719) 7.241 1.331 ( -1.515 5.065 0.020) 5.287 1.444 ( -2.235 2.843 -0.823) 3.709 1.448 ( -0.970 1.296 2.875) 3.299 1.628 ( 1.538 0.709 0.185) 1.704 1.642 ( 2.738 -4.054 -1.800) 5.213 1.864 ( -2.426 2.989 0.465) 3.878 2.228 ( 0.822 0.583 -0.965) 1.395 2.539 ( -1.982 4.182 0.380) 4.643 2.624 ( -3.540 1.777 -0.316) 3.974 2.744 ( 0.579 0.613 -0.173) 0.860 2.849 ( -0.393 0.649 0.169) 0.778 2.865 ( 2.032 -1.914 2.507) 3.752 2.926 ( 0.093 -1.315 0.120) 1.323 3.028 ( -0.768 0.109 -3.665) 3.746 3.103 ( -0.017 -2.096 1.004) 2.324 3.171 ( 2.931 -1.859 -0.688) 3.539 3.225 ( -2.585 -1.100 0.984) 2.977 3.563 ( 3.061 -5.414 -0.213) 6.223 3.580 ( 2.148 -5.830 -0.588) 6.241 ======================= Grid point 221 (79/231) ======================= q-point: (-0.31 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -1.058 7.592 1.131) 7.748 1.262 ( -3.297 7.448 -1.295) 8.247 1.354 ( -1.293 3.454 0.847) 3.784 1.427 ( -2.874 2.274 0.881) 3.769 1.456 ( 0.108 1.786 0.955) 2.028 1.603 ( -0.338 -3.393 -1.691) 3.806 1.656 ( 0.441 -1.999 -0.410) 2.088 1.886 ( 0.320 3.342 1.762) 3.792 2.213 ( -1.679 0.036 -1.963) 2.583 2.554 ( -1.630 4.594 1.509) 5.102 2.632 ( 1.023 4.159 0.214) 4.288 2.733 ( -1.230 -0.750 -1.068) 1.794 2.829 ( -1.153 -1.600 -0.330) 1.999 2.870 ( 0.048 -1.268 1.938) 2.317 2.927 ( 1.293 -0.910 0.184) 1.592 3.065 ( 3.214 1.012 -2.297) 4.078 3.102 ( 1.585 -0.694 1.935) 2.596 3.185 ( -0.705 -2.022 -0.601) 2.224 3.194 ( 1.522 0.559 0.007) 1.621 3.562 ( 2.762 -5.351 -0.352) 6.032 3.580 ( 4.425 -4.787 -0.589) 6.546 ======================= Grid point 222 (80/231) ======================= q-point: (-0.23 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -0.223 7.075 1.541) 7.244 1.262 ( -2.881 1.312 -1.459) 3.486 1.371 ( -2.572 6.539 0.796) 7.071 1.410 ( -2.128 3.348 1.002) 4.091 1.471 ( -0.047 0.350 0.833) 0.905 1.560 ( -0.409 -2.830 -0.184) 2.865 1.607 ( -3.024 -2.668 -1.561) 4.324 1.919 ( 1.233 0.461 -0.935) 1.614 2.185 ( -1.370 -1.693 0.887) 2.351 2.582 ( 0.959 1.434 0.761) 1.886 2.682 ( -2.222 -0.111 -0.122) 2.228 2.720 ( 0.655 3.518 -0.385) 3.599 2.803 ( 0.975 0.635 0.903) 1.473 2.864 ( 0.246 0.400 0.590) 0.754 2.957 ( 2.319 0.343 0.495) 2.396 3.066 ( 0.455 -2.237 -1.671) 2.829 3.126 ( -2.216 -2.861 0.251) 3.627 3.198 ( 5.161 3.510 -1.638) 6.453 3.280 ( 4.758 3.833 1.147) 6.216 3.569 ( 3.790 -4.431 -0.427) 5.846 3.613 ( 4.801 -4.699 -0.362) 6.728 ======================= Grid point 223 (81/231) ======================= q-point: (-0.15 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -4.450 -0.802 1.555) 4.782 1.210 ( -2.744 4.146 -1.294) 5.137 1.345 ( -3.718 -0.253 -0.184) 3.732 1.405 ( -5.647 5.990 0.514) 8.249 1.477 ( -0.663 -1.528 -1.044) 1.965 1.501 ( -4.655 -1.357 -1.355) 5.035 1.548 ( 1.320 -1.175 1.264) 2.173 1.963 ( 3.772 0.415 -1.288) 4.007 2.082 ( -7.565 -4.119 0.341) 8.620 2.599 ( -5.495 -1.693 0.698) 5.792 2.612 ( 1.534 -0.046 -0.147) 1.541 2.746 ( 0.855 0.577 -0.625) 1.206 2.898 ( 4.013 4.670 1.301) 6.293 2.918 ( 4.624 2.315 -0.156) 5.173 2.999 ( 1.055 0.855 -1.116) 1.757 3.064 ( 1.781 -2.374 -0.687) 3.047 3.070 ( 0.229 -1.978 0.354) 2.022 3.326 ( 5.336 3.433 -1.011) 6.425 3.411 ( 5.450 3.102 0.241) 6.275 3.604 ( 4.532 -2.718 -0.057) 5.285 3.658 ( 5.445 -3.141 -0.161) 6.288 ======================= Grid point 224 (82/231) ======================= q-point: (-0.08 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -9.451 -1.145 0.943) 9.567 1.194 ( -3.034 1.160 -1.872) 3.749 1.253 ( -7.466 -0.551 1.291) 7.597 1.339 ( -5.577 -0.666 -1.488) 5.810 1.364 ( -4.616 1.046 -0.827) 4.805 1.471 ( -2.194 0.446 0.406) 2.276 1.553 ( -0.989 -0.579 -0.810) 1.403 1.851 ( -13.889 -0.465 -0.102) 13.897 2.053 ( 4.719 0.332 -1.785) 5.056 2.470 ( -8.048 -0.127 1.657) 8.218 2.647 ( 2.687 -0.005 -0.704) 2.778 2.768 ( 1.610 -0.011 -0.853) 1.822 2.974 ( 3.120 -1.584 -5.783) 6.759 3.007 ( 1.363 -0.356 -3.257) 3.548 3.053 ( 4.939 2.459 3.540) 6.555 3.068 ( 3.949 -1.780 1.962) 4.755 3.124 ( 3.878 0.922 0.138) 3.988 3.418 ( 2.496 0.109 0.387) 2.528 3.517 ( 4.309 0.730 -0.681) 4.423 3.676 ( 6.082 -0.973 -0.154) 6.161 3.758 ( 7.709 0.469 0.194) 7.725 ======================= Grid point 229 (83/231) ======================= q-point: ( 0.31 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -0.000 8.424 5.201) 9.900 1.071 ( 0.000 3.507 -2.348) 4.220 1.120 ( 0.000 4.040 -6.723) 7.843 1.153 ( -0.000 9.144 1.248) 9.229 1.398 ( 0.000 8.065 -3.209) 8.680 1.404 ( 0.000 0.080 -0.407) 0.414 1.545 ( -0.000 3.778 0.835) 3.869 1.758 ( -0.000 16.118 1.502) 16.188 2.074 ( 0.000 -2.920 -6.163) 6.820 2.461 ( -0.000 9.413 5.683) 10.996 2.690 ( 0.000 -2.718 -1.792) 3.255 2.753 ( 0.000 -2.508 -3.201) 4.067 2.891 ( 0.000 -0.730 -2.103) 2.226 2.964 ( 0.000 -4.445 -0.811) 4.518 3.093 ( 0.000 -7.001 -2.496) 7.433 3.134 ( 0.000 -2.498 -0.884) 2.650 3.164 ( 0.000 -2.939 -1.202) 3.175 3.387 ( -0.000 -2.511 0.404) 2.543 3.534 ( 0.000 -4.984 -1.031) 5.090 3.808 ( -0.000 -5.316 0.874) 5.388 3.833 ( 0.000 -5.579 -2.085) 5.956 ======================= Grid point 230 (84/231) ======================= q-point: ( 0.38 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 3.341 0.585 -4.338) 5.507 1.128 ( 1.964 4.649 2.770) 5.757 1.225 ( 4.667 4.641 -0.264) 6.587 1.271 ( 4.039 4.875 0.829) 6.384 1.413 ( -0.933 5.952 -1.986) 6.343 1.460 ( 0.383 2.424 -1.215) 2.738 1.564 ( -0.345 0.976 -0.612) 1.203 1.925 ( 0.791 11.179 0.210) 11.209 2.022 ( -2.045 0.664 -3.892) 4.447 2.556 ( -0.105 7.321 3.740) 8.221 2.637 ( -1.619 -2.323 -1.579) 3.242 2.734 ( 1.076 -2.289 -1.722) 3.060 2.909 ( 2.158 -0.635 -1.228) 2.563 2.924 ( 0.207 -4.064 -1.888) 4.485 3.007 ( -0.196 -6.647 -2.398) 7.069 3.108 ( -0.958 -2.080 -1.056) 2.522 3.121 ( -1.708 -1.723 0.077) 2.428 3.363 ( 1.789 -5.813 0.421) 6.097 3.468 ( -0.723 -5.778 -0.658) 5.860 3.721 ( -3.514 -4.528 0.128) 5.733 3.762 ( -3.762 -2.698 -0.957) 4.727 ======================= Grid point 231 (85/231) ======================= q-point: ( 0.46 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 2.818 1.160 -0.912) 3.181 1.198 ( 3.531 1.737 0.009) 3.935 1.340 ( 2.764 3.652 0.230) 4.586 1.399 ( 5.504 3.558 -1.629) 6.754 1.456 ( 0.717 1.970 -0.767) 2.232 1.482 ( 0.368 3.485 0.033) 3.504 1.550 ( -1.443 0.146 -0.967) 1.743 1.932 ( 0.322 -3.157 -1.675) 3.588 2.076 ( -1.197 9.384 -0.878) 9.501 2.593 ( -0.767 -1.113 -1.128) 1.761 2.628 ( 0.686 4.158 1.785) 4.576 2.735 ( 1.051 -0.851 -0.414) 1.415 2.872 ( -0.940 -2.160 -2.250) 3.258 2.924 ( 1.753 -4.116 -1.188) 4.628 2.970 ( -0.183 -0.398 -1.456) 1.520 3.045 ( -1.760 -3.059 -0.883) 3.638 3.086 ( -2.158 0.675 0.816) 2.404 3.319 ( 0.460 -7.804 0.264) 7.822 3.411 ( 0.688 -4.766 -0.246) 4.822 3.608 ( -4.960 -2.805 0.529) 5.723 3.649 ( -5.243 -3.094 -0.832) 6.145 ======================= Grid point 232 (86/231) ======================= q-point: ( 0.54 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -1.031 0.962 -1.444) 2.018 1.290 ( 2.163 2.819 -1.227) 3.758 1.392 ( 0.429 2.202 1.214) 2.550 1.441 ( 0.758 -0.405 -1.841) 2.032 1.497 ( -0.872 2.545 0.365) 2.715 1.530 ( 0.033 2.306 -0.751) 2.425 1.577 ( 4.302 1.426 0.343) 4.545 1.937 ( 1.694 0.271 0.582) 1.812 2.124 ( 0.452 3.986 -1.925) 4.450 2.566 ( -0.767 -0.428 -1.040) 1.361 2.683 ( 1.318 2.347 0.582) 2.754 2.748 ( 0.692 -0.069 0.207) 0.726 2.856 ( -0.427 1.612 -0.227) 1.683 2.884 ( -3.327 -1.836 0.139) 3.803 2.934 ( -0.391 -3.554 -0.907) 3.689 3.033 ( 2.476 -1.174 0.451) 2.777 3.068 ( -1.004 1.942 -1.626) 2.724 3.221 ( -2.954 -6.919 -1.155) 7.611 3.367 ( -2.444 -2.781 1.341) 3.937 3.516 ( -1.077 -4.005 -0.033) 4.147 3.533 ( -3.063 -4.426 -0.400) 5.397 ======================= Grid point 233 (87/231) ======================= q-point: ( 0.62 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -2.418 3.944 -1.249) 4.791 1.307 ( -2.190 2.957 -0.905) 3.789 1.423 ( 0.832 1.577 0.253) 1.801 1.457 ( 1.223 0.056 0.817) 1.472 1.513 ( -0.996 1.936 1.122) 2.449 1.538 ( 0.854 -0.248 -0.661) 1.108 1.625 ( 0.744 -0.617 -1.337) 1.650 1.968 ( -2.224 6.387 0.278) 6.769 2.199 ( 3.770 2.545 -0.592) 4.587 2.571 ( 0.899 2.021 -0.582) 2.287 2.709 ( -1.369 0.703 -0.648) 1.670 2.748 ( -1.278 1.346 0.343) 1.887 2.805 ( -0.970 -2.752 2.456) 3.814 2.876 ( 0.583 0.728 0.192) 0.953 2.903 ( -0.119 -2.392 0.157) 2.400 3.050 ( -1.335 -1.705 -1.863) 2.857 3.080 ( 0.429 -0.890 -0.378) 1.058 3.117 ( 0.358 -1.087 -2.037) 2.337 3.283 ( -4.431 -1.342 1.880) 4.997 3.465 ( 0.898 -5.220 -0.100) 5.297 3.479 ( 1.802 -5.610 -0.481) 5.912 ======================= Grid point 234 (88/231) ======================= q-point: (-0.31 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -2.682 6.859 -0.545) 7.385 1.301 ( -0.368 0.998 -0.753) 1.303 1.449 ( 0.979 -1.680 1.656) 2.554 1.470 ( -2.652 4.342 1.073) 5.200 1.502 ( -1.520 2.759 0.272) 3.161 1.547 ( 1.315 -3.168 -1.427) 3.715 1.625 ( 1.284 -0.983 -0.918) 1.859 1.992 ( -4.286 8.594 1.681) 9.749 2.243 ( -1.107 0.527 -2.144) 2.470 2.638 ( 2.303 5.101 0.246) 5.602 2.644 ( -3.892 0.032 0.123) 3.894 2.749 ( -0.922 -0.219 0.038) 0.948 2.796 ( 1.196 -2.983 2.129) 3.855 2.869 ( 0.994 -3.738 -0.526) 3.904 2.887 ( 0.346 -0.150 0.025) 0.378 3.019 ( 1.348 0.463 -0.647) 1.565 3.088 ( 0.210 0.575 0.319) 0.690 3.146 ( 1.896 0.341 -2.597) 3.234 3.217 ( -1.970 -0.502 1.862) 2.757 3.455 ( 3.487 -5.190 -0.308) 6.260 3.458 ( 2.507 -5.205 -0.372) 5.790 ======================= Grid point 235 (89/231) ======================= q-point: (-0.23 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -0.477 4.553 0.150) 4.581 1.305 ( -1.322 2.435 -0.938) 2.925 1.428 ( -0.308 -3.690 1.387) 3.954 1.459 ( -1.666 2.250 -0.288) 2.814 1.495 ( -0.345 -0.797 0.248) 0.903 1.560 ( -0.678 3.940 0.476) 4.026 1.621 ( -0.647 -1.966 -1.578) 2.603 1.977 ( -5.414 4.204 0.598) 6.881 2.195 ( -1.834 -1.405 -0.722) 2.421 2.592 ( -1.540 -0.139 -0.128) 1.551 2.713 ( -1.072 0.512 0.258) 1.216 2.735 ( 0.384 1.126 -0.392) 1.252 2.797 ( 1.821 2.351 1.996) 3.581 2.869 ( 1.463 -1.957 -0.231) 2.454 2.894 ( 1.453 -1.340 0.066) 1.977 3.059 ( 0.042 0.080 -1.763) 1.766 3.087 ( 1.571 -1.400 1.087) 2.369 3.177 ( 1.336 2.017 -3.673) 4.399 3.241 ( 3.561 1.891 3.258) 5.184 3.462 ( 3.654 -3.212 -0.279) 4.873 3.482 ( 4.414 -3.993 -0.432) 5.968 ======================= Grid point 236 (90/231) ======================= q-point: (-0.15 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -1.924 -1.214 -1.419) 2.681 1.292 ( -2.867 1.107 0.662) 3.144 1.384 ( -1.821 -0.498 0.022) 1.888 1.474 ( 0.654 1.261 -1.816) 2.305 1.489 ( 0.802 -1.864 0.905) 2.222 1.549 ( -4.017 -2.487 -1.413) 4.931 1.565 ( -3.355 3.185 1.082) 4.751 1.930 ( -0.832 0.578 0.216) 1.036 2.151 ( -2.884 -0.661 -0.855) 3.080 2.586 ( 0.871 -0.248 -0.890) 1.270 2.674 ( -3.568 -0.022 0.327) 3.583 2.737 ( 0.458 0.385 0.666) 0.895 2.867 ( 1.311 -0.709 -1.012) 1.802 2.879 ( 2.266 -0.859 0.742) 2.535 2.939 ( 4.843 0.841 0.050) 4.916 3.033 ( -1.122 0.592 -0.178) 1.281 3.088 ( -1.131 -0.344 -0.504) 1.285 3.253 ( 5.252 0.899 -1.790) 5.621 3.335 ( 5.173 -0.820 1.790) 5.535 3.520 ( 3.700 0.468 -0.241) 3.737 3.538 ( 5.627 -0.107 -0.111) 5.629 ======================= Grid point 237 (91/231) ======================= q-point: (-0.08 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -4.236 -0.596 -1.300) 4.470 1.222 ( -2.536 -3.907 0.254) 4.665 1.346 ( -4.251 1.299 0.112) 4.446 1.396 ( -4.979 -4.865 -0.896) 7.018 1.481 ( -0.383 -0.883 -0.851) 1.284 1.507 ( -3.318 0.509 -0.232) 3.365 1.535 ( -0.684 2.422 -0.619) 2.592 1.966 ( 2.214 -0.510 -0.699) 2.378 2.074 ( -6.122 4.286 -1.023) 7.542 2.597 ( -4.433 0.743 0.062) 4.495 2.608 ( 0.766 0.316 -0.614) 1.031 2.749 ( 0.495 -0.220 -0.041) 0.544 2.865 ( 3.070 -4.902 -3.171) 6.596 2.929 ( 4.098 -3.163 0.737) 5.229 2.998 ( 2.293 -0.509 -0.855) 2.500 3.060 ( -1.296 0.918 -0.898) 1.825 3.082 ( 3.149 3.509 1.356) 4.906 3.335 ( 5.104 -2.753 0.237) 5.804 3.412 ( 6.032 -3.149 0.576) 6.829 3.605 ( 3.956 3.223 0.033) 5.103 3.657 ( 5.656 2.879 -0.321) 6.355 ======================= Grid point 243 (92/231) ======================= q-point: ( 0.38 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 0.000 -0.257 -4.175) 4.183 1.084 ( 0.000 -0.788 -0.369) 0.870 1.262 ( 0.000 1.316 -1.401) 1.922 1.268 ( -0.000 4.286 3.618) 5.609 1.466 ( -0.000 5.826 0.600) 5.857 1.510 ( 0.000 5.103 -2.796) 5.819 1.567 ( 0.000 -0.360 -1.023) 1.084 1.958 ( 0.000 -2.116 -4.294) 4.787 2.115 ( -0.000 11.947 1.918) 12.100 2.621 ( 0.000 -3.609 -1.843) 4.052 2.640 ( -0.000 5.907 2.565) 6.440 2.675 ( 0.000 -3.874 -2.097) 4.405 2.861 ( 0.000 -4.172 -0.676) 4.227 2.895 ( -0.000 -1.692 0.634) 1.807 2.950 ( 0.000 -2.155 -3.109) 3.783 3.097 ( 0.000 -1.470 -0.943) 1.746 3.118 ( 0.000 -1.018 -0.486) 1.129 3.285 ( -0.000 -6.490 -0.068) 6.491 3.409 ( -0.000 -6.534 0.158) 6.536 3.717 ( 0.000 -2.394 -0.085) 2.396 3.776 ( 0.000 -2.058 -0.439) 2.104 ======================= Grid point 244 (93/231) ======================= q-point: ( 0.46 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 3.809 -1.109 -1.189) 4.141 1.141 ( 5.880 -1.029 -1.187) 6.087 1.304 ( 1.903 0.949 0.305) 2.148 1.309 ( 4.678 0.389 -1.079) 4.817 1.509 ( -1.552 1.604 0.223) 2.243 1.541 ( 0.284 4.321 -0.397) 4.348 1.563 ( -1.620 2.618 -1.763) 3.548 1.909 ( -0.972 -2.932 -2.792) 4.164 2.201 ( -2.354 7.296 1.460) 7.805 2.579 ( 0.072 -2.737 -1.810) 3.282 2.654 ( 1.336 -1.341 -0.685) 2.013 2.684 ( 0.961 0.350 0.182) 1.039 2.836 ( 2.200 -3.649 -1.466) 4.506 2.884 ( -0.837 0.489 2.416) 2.604 2.953 ( 0.893 0.461 -2.253) 2.467 3.056 ( -2.256 -1.903 -2.488) 3.860 3.123 ( -0.096 1.386 1.208) 1.841 3.229 ( 0.715 -6.144 -0.263) 6.191 3.346 ( 0.006 -5.662 0.558) 5.689 3.668 ( -3.514 -1.435 0.482) 3.826 3.716 ( -4.179 -2.125 -0.616) 4.728 ======================= Grid point 245 (94/231) ======================= q-point: ( 0.54 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 4.620 -3.005 -2.142) 5.913 1.222 ( 4.085 0.727 -1.052) 4.280 1.364 ( 4.768 -0.321 -1.070) 4.897 1.442 ( 8.696 0.696 0.685) 8.750 1.485 ( -1.301 0.363 0.041) 1.351 1.542 ( -3.571 2.515 0.273) 4.377 1.582 ( -0.562 3.322 -0.363) 3.389 1.890 ( 2.047 -0.479 -0.891) 2.283 2.194 ( -3.040 2.292 -0.334) 3.822 2.561 ( 0.416 -0.909 -1.673) 1.949 2.680 ( 2.446 -0.592 -0.559) 2.578 2.713 ( 2.026 0.065 0.341) 2.056 2.852 ( 2.144 -1.050 -0.071) 2.388 2.876 ( -1.593 0.762 2.289) 2.891 2.956 ( -1.678 -0.814 -0.380) 1.903 3.001 ( 0.019 -0.676 -3.119) 3.191 3.124 ( -2.204 2.214 -0.067) 3.125 3.170 ( -0.906 -5.693 -0.053) 5.765 3.311 ( 1.985 -5.096 0.720) 5.516 3.572 ( -5.817 -1.204 0.714) 5.983 3.598 ( -6.327 -1.979 -0.603) 6.656 ======================= Grid point 246 (95/231) ======================= q-point: ( 0.62 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 3.423 -0.525 -1.899) 3.949 1.301 ( 4.483 -0.563 -0.049) 4.519 1.436 ( 2.266 1.531 -1.060) 2.933 1.460 ( -4.549 3.035 0.990) 5.558 1.511 ( 0.252 -0.587 0.838) 1.054 1.561 ( 3.203 -0.663 -1.642) 3.660 1.589 ( -0.364 0.699 0.768) 1.100 1.981 ( 6.277 3.202 -0.437) 7.060 2.186 ( 0.515 2.210 0.183) 2.277 2.574 ( 0.749 1.985 -0.813) 2.272 2.707 ( 1.169 -0.771 -0.556) 1.507 2.748 ( 1.566 0.222 0.684) 1.724 2.840 ( -1.796 -2.278 0.324) 2.919 2.867 ( -2.182 -0.259 0.788) 2.334 2.904 ( -0.920 0.184 0.174) 0.954 3.018 ( 1.632 -1.543 -0.730) 2.361 3.097 ( -0.874 -1.677 -2.238) 2.930 3.103 ( -1.910 0.431 0.212) 1.969 3.294 ( 0.909 -4.463 0.918) 4.646 3.460 ( -4.995 -1.427 0.204) 5.199 3.473 ( -5.209 -1.859 -0.086) 5.532 ======================= Grid point 247 (96/231) ======================= q-point: ( 0.69 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 3.013 3.740 -0.456) 4.825 1.337 ( -1.513 0.097 -0.861) 1.744 1.384 ( -1.008 -2.787 1.084) 3.155 1.510 ( 1.834 3.437 0.127) 3.898 1.521 ( 0.265 -0.546 0.841) 1.037 1.552 ( -1.523 0.688 -1.197) 2.055 1.589 ( 0.578 -2.187 -0.181) 2.270 2.121 ( 2.603 7.086 -0.330) 7.557 2.232 ( 1.324 -0.542 0.484) 1.510 2.627 ( 2.242 3.883 -0.278) 4.493 2.700 ( -0.438 -1.664 -0.571) 1.813 2.755 ( -3.098 -2.649 0.552) 4.113 2.770 ( 0.183 0.275 0.341) 0.474 2.838 ( -1.714 -1.758 1.968) 3.146 2.872 ( -0.262 -1.695 -1.597) 2.344 3.015 ( 0.185 -0.119 0.002) 0.220 3.093 ( 0.222 0.738 -0.617) 0.987 3.120 ( 2.257 1.901 -0.948) 3.100 3.249 ( -2.164 -2.492 0.958) 3.436 3.386 ( -1.052 -2.096 -0.029) 2.345 3.399 ( -0.950 -2.057 -0.139) 2.270 ======================= Grid point 248 (97/231) ======================= q-point: (-0.23 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -3.629 0.433 -0.497) 3.689 1.352 ( -0.193 -2.463 -0.187) 2.478 1.355 ( 3.317 2.026 0.631) 3.937 1.506 ( -1.270 -0.097 0.182) 1.286 1.509 ( -2.477 0.062 0.043) 2.479 1.580 ( 1.121 -2.746 -0.960) 3.118 1.590 ( 2.002 2.936 0.345) 3.570 2.132 ( -7.245 -1.152 -0.286) 7.342 2.217 ( -0.629 1.245 0.411) 1.454 2.637 ( -3.787 0.006 -0.327) 3.802 2.719 ( 2.613 0.802 -0.555) 2.789 2.744 ( 1.189 -2.100 0.182) 2.420 2.748 ( 0.801 0.553 0.836) 1.283 2.813 ( 1.116 0.065 0.221) 1.139 2.884 ( 0.984 0.213 0.256) 1.039 3.024 ( 1.399 -0.044 -0.497) 1.486 3.103 ( -0.628 -0.240 -0.067) 0.676 3.168 ( 0.335 2.330 -2.734) 3.607 3.205 ( 1.042 -1.895 2.562) 3.352 3.387 ( 2.428 0.083 -0.050) 2.430 3.402 ( 2.468 0.154 -0.075) 2.474 ======================= Grid point 249 (98/231) ======================= q-point: (-0.15 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -1.438 -4.824 -1.800) 5.346 1.315 ( -0.882 -2.156 0.460) 2.374 1.419 ( -0.395 2.664 -0.170) 2.698 1.456 ( -1.553 -3.039 -0.548) 3.457 1.497 ( -0.836 0.863 0.666) 1.374 1.552 ( -0.606 -2.108 -0.858) 2.355 1.633 ( -0.266 1.683 0.482) 1.770 1.971 ( -4.585 -4.879 -0.507) 6.714 2.202 ( -3.001 2.119 0.350) 3.690 2.586 ( -1.717 -0.284 -1.021) 2.018 2.715 ( -0.868 -0.692 0.342) 1.161 2.740 ( 0.427 -1.256 0.523) 1.426 2.783 ( 2.215 -1.661 -0.378) 2.794 2.871 ( -0.195 0.515 0.228) 0.596 2.898 ( 2.531 1.752 0.466) 3.113 3.072 ( -1.212 1.010 -0.543) 1.669 3.076 ( 3.308 0.665 0.237) 3.382 3.178 ( 0.898 -1.160 -3.803) 4.076 3.238 ( 3.671 -2.585 2.931) 5.362 3.465 ( 3.792 3.269 0.154) 5.009 3.484 ( 4.327 4.316 0.019) 6.111 ======================= Grid point 250 (99/231) ======================= q-point: (-0.08 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 0.065 -6.553 -1.691) 6.768 1.262 ( -3.526 -1.214 -1.540) 4.035 1.360 ( -1.532 -9.318 -0.979) 9.494 1.410 ( -1.929 -0.816 1.007) 2.324 1.460 ( -0.982 -1.387 -1.104) 2.026 1.560 ( -1.702 3.211 -0.083) 3.635 1.621 ( -2.498 2.554 0.779) 3.657 1.920 ( 1.949 -1.457 -0.710) 2.535 2.176 ( -2.228 2.743 -0.580) 3.581 2.566 ( 0.834 -1.899 -1.812) 2.754 2.684 ( -2.102 -0.380 0.017) 2.136 2.719 ( 0.490 -3.689 -0.370) 3.740 2.808 ( -0.359 0.365 1.333) 1.428 2.860 ( 1.491 -0.325 -0.025) 1.527 2.952 ( 1.905 -0.756 -0.314) 2.074 3.072 ( -0.028 1.275 -0.956) 1.594 3.122 ( -1.763 3.660 -0.324) 4.075 3.199 ( 5.988 -3.960 -1.219) 7.282 3.285 ( 4.552 -3.009 1.820) 5.752 3.575 ( 4.035 4.500 0.636) 6.078 3.612 ( 4.409 4.753 -0.559) 6.507 ======================= Grid point 257 (100/231) ======================= q-point: ( 0.46 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -0.000 -1.993 0.140) 1.998 1.052 ( -0.000 -2.096 0.453) 2.145 1.257 ( 0.000 -0.275 -1.703) 1.725 1.294 ( 0.000 0.064 -2.860) 2.861 1.495 ( 0.000 -4.156 -1.436) 4.397 1.582 ( -0.000 4.695 0.483) 4.719 1.635 ( 0.000 5.490 -0.318) 5.499 1.883 ( 0.000 -2.710 -2.747) 3.859 2.278 ( -0.000 1.863 2.828) 3.387 2.534 ( 0.000 -3.899 -1.413) 4.147 2.594 ( 0.000 -3.375 -1.466) 3.680 2.697 ( -0.000 -0.215 0.637) 0.673 2.779 ( 0.000 -1.077 -1.299) 1.687 2.917 ( -0.000 2.889 0.605) 2.952 2.950 ( 0.000 0.662 -0.725) 0.982 3.075 ( 0.000 -0.421 -2.146) 2.187 3.119 ( -0.000 0.780 0.450) 0.900 3.181 ( -0.000 -2.698 0.404) 2.728 3.303 ( -0.000 -3.968 0.962) 4.083 3.688 ( -0.000 -1.027 0.605) 1.192 3.730 ( 0.000 -2.297 -0.556) 2.363 ======================= Grid point 258 (101/231) ======================= q-point: ( 0.54 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 2.794 -3.048 -1.049) 4.266 1.109 ( 7.204 -1.649 0.106) 7.391 1.298 ( 2.960 0.329 -3.074) 4.280 1.319 ( 4.887 0.734 1.128) 5.069 1.456 ( 0.813 -3.504 -1.249) 3.808 1.618 ( -0.536 3.074 0.170) 3.125 1.657 ( -2.998 3.862 0.423) 4.908 1.860 ( 0.466 -0.698 -2.193) 2.348 2.249 ( -2.768 -2.101 2.057) 4.038 2.519 ( 2.127 -2.134 -1.702) 3.461 2.590 ( 3.032 -2.574 -0.976) 4.095 2.703 ( 1.080 0.024 1.090) 1.534 2.801 ( 2.421 0.254 -0.239) 2.446 2.930 ( -1.613 1.797 1.420) 2.802 2.958 ( 0.328 0.555 -0.941) 1.140 3.023 ( -3.450 -0.193 -2.991) 4.570 3.151 ( -0.355 -1.135 -0.597) 1.330 3.165 ( 0.550 1.692 1.505) 2.330 3.258 ( -1.106 -3.378 0.911) 3.669 3.649 ( -3.543 -0.765 0.668) 3.686 3.672 ( -3.924 -1.894 -0.437) 4.379 ======================= Grid point 259 (102/231) ======================= q-point: ( 0.62 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 5.255 -1.843 -1.321) 5.724 1.222 ( 5.548 -0.166 0.351) 5.561 1.375 ( 5.672 2.003 -2.392) 6.473 1.434 ( 5.866 -1.699 0.398) 6.120 1.465 ( 3.502 -0.894 1.274) 3.832 1.608 ( -5.836 1.759 0.639) 6.129 1.625 ( -1.330 1.373 -0.274) 1.931 1.896 ( 4.196 1.040 -1.457) 4.562 2.193 ( -0.876 -1.323 1.278) 2.037 2.561 ( 3.355 1.240 -1.158) 3.760 2.628 ( 3.663 -2.374 -0.557) 4.400 2.730 ( 1.493 0.054 0.927) 1.758 2.850 ( 2.301 0.178 0.695) 2.410 2.900 ( -3.387 0.378 0.122) 3.410 2.949 ( -3.422 0.324 -0.386) 3.459 2.976 ( 0.853 -0.451 -1.385) 1.688 3.114 ( -2.329 0.153 -0.164) 2.339 3.162 ( -3.309 0.584 -0.077) 3.361 3.228 ( 1.735 -2.788 0.732) 3.365 3.558 ( -6.087 -0.311 0.209) 6.098 3.567 ( -6.032 -1.006 0.168) 6.118 ======================= Grid point 260 (103/231) ======================= q-point: (-0.31 -0.54 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 6.367 0.596 0.296) 6.402 1.294 ( 3.151 0.021 0.078) 3.152 1.473 ( -2.259 0.664 -0.594) 2.429 1.489 ( 3.284 -0.550 -1.535) 3.666 1.512 ( -0.766 -0.515 2.313) 2.491 1.520 ( 1.788 0.126 -1.161) 2.136 1.605 ( -1.868 0.368 0.917) 2.114 2.021 ( 8.931 0.382 -1.144) 9.012 2.206 ( 2.042 -0.440 1.332) 2.478 2.641 ( 1.021 2.747 -0.113) 2.933 2.645 ( 2.976 -2.093 0.035) 3.638 2.755 ( 1.308 -0.448 -0.351) 1.427 2.824 ( -4.667 -0.403 -0.772) 4.747 2.864 ( -1.362 -0.890 0.004) 1.627 2.891 ( -2.597 0.620 -0.295) 2.686 2.999 ( 1.261 0.670 0.991) 1.738 3.097 ( 0.378 0.644 -0.513) 0.906 3.114 ( -1.635 0.112 1.039) 1.940 3.236 ( 0.885 -0.547 -0.478) 1.145 3.451 ( -5.862 0.374 0.063) 5.874 3.452 ( -5.752 -0.401 0.270) 5.772 ======================= Grid point 261 (104/231) ======================= q-point: (-0.23 -0.54 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 2.873 -2.999 0.932) 4.256 1.347 ( -2.130 -1.004 0.792) 2.484 1.368 ( -0.420 3.305 -1.505) 3.656 1.508 ( 1.461 -2.887 -0.122) 3.238 1.512 ( 0.485 -0.394 -0.600) 0.866 1.567 ( -2.638 -0.585 1.358) 3.024 1.591 ( 1.632 3.005 0.100) 3.421 2.127 ( 1.791 -7.426 0.542) 7.658 2.224 ( 2.254 0.812 -0.793) 2.524 2.632 ( 2.085 -3.608 0.535) 4.201 2.710 ( -0.168 2.294 0.988) 2.504 2.748 ( -3.927 1.969 -0.561) 4.428 2.761 ( 0.438 -0.941 -1.216) 1.598 2.820 ( -0.949 1.507 -1.115) 2.101 2.884 ( -0.354 1.496 0.421) 1.594 3.017 ( -0.246 0.607 0.487) 0.816 3.100 ( -0.234 -0.571 0.467) 0.774 3.139 ( 2.880 -0.469 2.325) 3.731 3.232 ( -2.485 1.506 -2.057) 3.560 3.386 ( -1.028 2.160 0.076) 2.393 3.401 ( -0.907 2.209 0.182) 2.395 ======================= Grid point 262 (105/231) ======================= q-point: (-0.15 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -3.605 -6.798 0.150) 7.696 1.308 ( 0.121 0.073 0.269) 0.304 1.436 ( 0.590 1.225 -0.498) 1.447 1.463 ( -3.118 -5.503 -0.237) 6.329 1.501 ( -1.325 -2.324 0.010) 2.676 1.556 ( 2.027 3.719 0.283) 4.245 1.631 ( 0.744 0.984 0.190) 1.248 1.980 ( -4.825 -8.632 -0.385) 9.896 2.258 ( -0.382 -0.332 0.517) 0.723 2.636 ( -1.377 -4.631 -0.092) 4.832 2.643 ( -1.279 -0.522 -0.037) 1.382 2.752 ( -0.378 -0.172 0.346) 0.540 2.777 ( 1.603 2.873 -0.865) 3.402 2.873 ( 2.119 4.085 0.128) 4.603 2.888 ( -0.402 -0.619 0.087) 0.743 3.021 ( 0.807 0.631 0.017) 1.025 3.087 ( -0.237 -0.550 -0.035) 0.600 3.177 ( 2.073 -1.160 2.715) 3.607 3.192 ( -2.123 1.081 -2.522) 3.470 3.457 ( 3.364 5.570 0.090) 6.508 3.461 ( 2.739 4.991 0.085) 5.694 ======================= Grid point 263 (106/231) ======================= q-point: (-0.08 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -1.835 -7.440 -0.855) 7.711 1.267 ( -4.131 -8.787 -0.246) 9.713 1.344 ( -1.894 -1.062 -1.564) 2.676 1.422 ( -1.114 -1.820 1.106) 2.403 1.451 ( -0.843 -2.779 -0.396) 2.931 1.619 ( -1.228 2.538 1.163) 3.050 1.656 ( 1.481 2.726 -0.554) 3.151 1.869 ( -0.006 -3.690 -1.178) 3.874 2.229 ( -1.918 0.260 0.724) 2.067 2.541 ( -2.062 -4.567 -0.787) 5.072 2.628 ( 0.691 -3.926 -0.378) 4.004 2.742 ( -1.025 0.663 0.467) 1.307 2.840 ( 0.689 3.294 1.546) 3.704 2.854 ( -1.001 -0.713 -0.844) 1.491 2.926 ( 0.956 0.682 -0.000) 1.174 3.068 ( 2.805 -1.187 -3.030) 4.296 3.090 ( 1.072 0.606 1.189) 1.712 3.179 ( -0.743 2.632 -0.738) 2.833 3.210 ( 2.275 -0.549 1.692) 2.888 3.564 ( 2.890 5.406 0.054) 6.130 3.584 ( 4.270 4.803 -0.017) 6.426 ======================= Grid point 271 (107/231) ======================= q-point: ( 0.54 0.54 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 0.000 -2.492 -0.697) 2.588 1.016 ( 0.000 -1.114 -0.984) 1.486 1.253 ( -0.000 0.115 0.773) 0.782 1.303 ( 0.000 1.463 -0.897) 1.716 1.413 ( 0.000 -2.374 -0.455) 2.417 1.646 ( 0.000 1.583 -0.378) 1.628 1.715 ( -0.000 1.902 0.335) 1.931 1.852 ( 0.000 0.530 -1.672) 1.753 2.249 ( -0.000 -3.503 1.976) 4.022 2.471 ( 0.000 -1.540 -1.578) 2.205 2.544 ( 0.000 -1.055 -0.444) 1.145 2.685 ( -0.000 -0.669 1.655) 1.785 2.791 ( 0.000 1.243 -0.810) 1.483 2.947 ( 0.000 -0.650 -0.128) 0.663 2.969 ( 0.000 1.520 0.009) 1.520 3.067 ( 0.000 0.993 -3.019) 3.178 3.136 ( 0.000 0.424 -0.051) 0.428 3.178 ( -0.000 0.406 2.376) 2.411 3.253 ( -0.000 -1.373 0.227) 1.391 3.676 ( -0.000 -0.321 0.599) 0.679 3.689 ( 0.000 -1.376 -0.185) 1.388 ======================= Grid point 272 (108/231) ======================= q-point: (-0.38 -0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 2.912 0.250 -1.537) 3.303 1.089 ( 8.090 -0.120 -0.419) 8.101 1.303 ( 4.177 0.705 -0.998) 4.352 1.334 ( 3.023 -0.261 1.814) 3.536 1.420 ( 1.633 0.739 1.572) 2.384 1.647 ( -0.694 -0.119 -0.972) 1.200 1.697 ( -2.944 -0.183 0.245) 2.960 1.864 ( 0.750 1.122 -0.309) 1.385 2.205 ( -1.701 -1.143 0.404) 2.089 2.494 ( 3.512 0.397 -1.343) 3.781 2.564 ( 2.586 0.334 0.082) 2.608 2.701 ( 1.514 -0.334 1.634) 2.253 2.812 ( 1.721 0.071 -0.399) 1.768 2.935 ( -1.019 -0.024 0.124) 1.027 2.973 ( -0.444 -0.299 -0.731) 0.906 3.028 ( -3.806 1.347 -0.339) 4.051 3.152 ( -0.760 0.538 -1.650) 1.895 3.179 ( 1.272 -1.224 1.837) 2.548 3.222 ( -2.641 -0.045 0.202) 2.649 3.644 ( -3.451 -0.405 0.303) 3.488 3.648 ( -3.780 0.393 0.289) 3.812 ======================= Grid point 273 (109/231) ======================= q-point: (-0.31 -0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 5.687 2.843 0.118) 6.359 1.230 ( 5.520 0.515 1.646) 5.783 1.386 ( 5.662 -0.741 -1.394) 5.878 1.422 ( 6.582 0.663 -0.211) 6.619 1.468 ( 1.749 0.810 0.837) 2.101 1.593 ( -4.675 -2.046 -1.153) 5.232 1.639 ( -1.961 -1.052 1.604) 2.743 1.905 ( 3.549 -0.083 -0.030) 3.550 2.188 ( -0.218 0.691 0.461) 0.859 2.569 ( 3.507 -0.325 0.172) 3.526 2.633 ( 3.548 2.976 0.203) 4.635 2.722 ( 1.316 -0.709 -0.183) 1.506 2.838 ( 1.117 -1.191 -1.181) 2.015 2.896 ( -2.486 -0.809 -0.710) 2.709 2.938 ( -2.371 0.133 -1.313) 2.713 3.012 ( -0.456 2.075 3.764) 4.322 3.115 ( -2.157 -0.038 0.050) 2.158 3.166 ( -3.240 -0.364 0.702) 3.335 3.216 ( 1.966 2.025 -1.410) 3.155 3.557 ( -5.935 -0.010 0.082) 5.936 3.569 ( -6.227 1.252 0.523) 6.373 ======================= Grid point 274 (110/231) ======================= q-point: (-0.23 -0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 3.227 1.347 1.996) 4.026 1.300 ( 4.200 0.463 -0.043) 4.225 1.445 ( -2.835 -2.776 -1.370) 4.198 1.450 ( 0.661 -1.224 1.029) 1.730 1.502 ( -0.269 0.103 -0.876) 0.922 1.564 ( 5.062 1.923 -0.416) 5.431 1.600 ( -1.617 -1.822 2.047) 3.182 1.982 ( 6.256 -3.419 -0.195) 7.132 2.188 ( 0.098 -1.550 0.455) 1.618 2.585 ( 0.490 -1.761 1.018) 2.093 2.714 ( 1.165 0.105 0.437) 1.249 2.737 ( 1.122 0.202 -0.981) 1.503 2.823 ( 0.398 2.646 -2.355) 3.565 2.865 ( -3.676 0.628 0.294) 3.741 2.899 ( -0.906 -0.210 -0.638) 1.128 3.037 ( 0.551 0.700 2.169) 2.345 3.097 ( -1.675 0.554 -0.663) 1.885 3.133 ( 0.126 1.635 3.875) 4.208 3.275 ( 0.423 4.219 -2.522) 4.934 3.460 ( -4.697 1.460 0.116) 4.920 3.476 ( -5.354 1.928 0.418) 5.706 ======================= Grid point 275 (111/231) ======================= q-point: (-0.15 -0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -3.077 -3.925 1.967) 5.361 1.315 ( -1.744 -2.116 0.265) 2.755 1.420 ( 2.176 0.534 -0.318) 2.263 1.453 ( -1.391 -2.482 0.267) 2.858 1.502 ( 0.748 -0.694 -0.888) 1.353 1.547 ( -0.733 -1.056 0.943) 1.594 1.634 ( 1.336 0.701 0.146) 1.516 1.968 ( -2.253 -6.323 0.301) 6.719 2.203 ( 3.734 -1.956 -0.005) 4.215 2.580 ( 0.648 -1.817 1.092) 2.217 2.715 ( -0.668 -1.014 0.204) 1.231 2.743 ( -1.370 -0.687 -0.592) 1.643 2.784 ( -1.969 1.861 -0.911) 2.858 2.873 ( 0.489 -0.543 -0.332) 0.802 2.900 ( 0.093 3.051 -0.402) 3.079 3.066 ( 0.574 1.800 1.250) 2.266 3.080 ( -0.405 1.143 -0.520) 1.319 3.155 ( -0.927 0.442 4.234) 4.357 3.255 ( -4.202 1.564 -3.012) 5.401 3.465 ( 0.918 5.022 -0.059) 5.105 3.484 ( 1.718 5.850 0.223) 6.101 ======================= Grid point 285 (112/231) ======================= q-point: (-0.38 -0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 0.000 2.239 -2.412) 3.292 1.008 ( 0.000 1.020 -2.155) 2.384 1.266 ( -0.000 0.434 2.905) 2.938 1.319 ( -0.000 0.232 1.900) 1.914 1.431 ( -0.000 2.942 2.353) 3.767 1.641 ( 0.000 -1.731 -1.163) 2.085 1.710 ( 0.000 -2.025 -0.448) 2.074 1.875 ( -0.000 1.159 2.106) 2.404 2.222 ( 0.000 1.443 -2.439) 2.834 2.470 ( 0.000 2.157 -1.606) 2.689 2.551 ( -0.000 1.699 0.759) 1.861 2.691 ( -0.000 0.329 2.623) 2.643 2.793 ( 0.000 -0.772 -0.383) 0.862 2.949 ( -0.000 0.764 0.198) 0.789 2.968 ( 0.000 -1.652 -0.249) 1.670 3.081 ( 0.000 0.927 -0.830) 1.245 3.131 ( 0.000 -0.657 -0.885) 1.102 3.170 ( -0.000 -1.133 1.285) 1.713 3.251 ( 0.000 0.780 -0.050) 0.781 3.673 ( -0.000 0.073 0.146) 0.164 3.693 ( -0.000 1.575 0.621) 1.693 ======================= Grid point 286 (113/231) ======================= q-point: (-0.31 -0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 3.712 3.447 -1.220) 5.210 1.106 ( 8.521 2.105 -0.677) 8.804 1.316 ( 3.577 0.488 1.130) 3.783 1.333 ( 1.789 -0.725 2.660) 3.287 1.470 ( 0.358 2.730 0.671) 2.834 1.610 ( -0.676 -2.942 -1.106) 3.215 1.659 ( -2.415 -3.323 0.815) 4.188 1.889 ( -0.209 1.184 2.663) 2.922 2.221 ( -1.523 1.894 -2.636) 3.586 2.527 ( 2.776 3.082 -0.410) 4.168 2.601 ( 2.844 2.981 0.983) 4.236 2.702 ( 0.359 -0.483 0.952) 1.126 2.800 ( 1.678 -0.410 -0.380) 1.769 2.917 ( -2.222 -2.531 -1.001) 3.513 2.962 ( -0.050 0.376 -0.454) 0.592 3.056 ( -2.084 0.708 2.866) 3.613 3.146 ( 0.267 -0.439 -1.511) 1.596 3.167 ( 0.407 0.285 1.775) 1.843 3.246 ( -1.451 2.889 -1.128) 3.424 3.645 ( -3.589 0.541 -0.013) 3.630 3.679 ( -3.915 2.013 0.777) 4.470 ======================= Grid point 287 (114/231) ======================= q-point: (-0.23 -0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 5.886 3.171 0.195) 6.689 1.239 ( 2.897 -1.043 2.096) 3.725 1.373 ( 5.042 -0.231 0.392) 5.062 1.427 ( 7.511 0.194 -1.755) 7.716 1.480 ( -1.141 -0.403 -0.764) 1.431 1.551 ( -3.219 -1.292 1.312) 3.709 1.591 ( -0.501 -3.980 1.196) 4.186 1.904 ( 0.754 0.441 1.499) 1.735 2.193 ( -1.675 -1.617 -0.501) 2.382 2.578 ( 0.231 1.052 1.233) 1.638 2.683 ( 1.470 -1.193 -0.129) 1.898 2.713 ( 2.507 1.549 0.515) 2.992 2.827 ( 0.863 2.109 -3.063) 3.818 2.869 ( 0.131 -0.685 -0.097) 0.705 2.960 ( -1.735 1.845 0.087) 2.534 3.039 ( -1.340 -0.433 3.210) 3.505 3.126 ( -1.322 -2.949 0.209) 3.239 3.178 ( -0.542 5.912 1.460) 6.113 3.298 ( 1.781 5.703 -1.606) 6.187 3.567 ( -5.721 1.092 -0.153) 5.826 3.606 ( -6.440 2.008 0.755) 6.788 ======================= Grid point 288 (115/231) ======================= q-point: (-0.15 -0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -0.765 -2.238 1.926) 3.050 1.295 ( 2.752 -1.828 -0.403) 3.328 1.385 ( 0.247 -2.080 -0.164) 2.101 1.463 ( 0.649 0.980 1.993) 2.314 1.493 ( -1.945 -0.905 -0.477) 2.197 1.542 ( -0.102 -4.146 1.302) 4.347 1.571 ( 4.768 -1.249 -0.831) 4.998 1.932 ( 1.365 -0.261 -0.411) 1.449 2.145 ( 0.485 -3.282 1.550) 3.662 2.580 ( -0.777 0.511 1.346) 1.636 2.676 ( 1.652 -2.935 -0.554) 3.413 2.742 ( 0.458 0.503 -0.858) 1.095 2.862 ( -1.266 -0.239 0.823) 1.529 2.882 ( -2.809 1.801 -0.405) 3.361 2.939 ( -0.996 4.497 0.064) 4.606 3.032 ( 1.574 -0.131 0.177) 1.589 3.084 ( -0.034 -1.454 1.024) 1.778 3.241 ( -1.995 5.858 2.216) 6.574 3.346 ( -3.235 3.475 -2.262) 5.259 3.519 ( -1.126 3.642 0.336) 3.827 3.537 ( -2.993 4.735 0.218) 5.606 ======================= Grid point 299 (116/231) ======================= q-point: (-0.31 -0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 0.000 4.001 -0.001) 4.001 1.040 ( 0.000 2.607 -1.556) 3.036 1.285 ( -0.000 0.122 2.954) 2.956 1.321 ( -0.000 -1.867 1.699) 2.524 1.500 ( 0.000 3.068 -0.927) 3.205 1.571 ( 0.000 -4.673 -1.384) 4.874 1.648 ( -0.000 -3.972 1.920) 4.412 1.924 ( -0.000 3.040 4.179) 5.168 2.238 ( 0.000 -1.075 -3.858) 4.005 2.540 ( 0.000 4.787 -0.576) 4.822 2.612 ( -0.000 3.676 1.487) 3.965 2.699 ( -0.000 -1.044 1.062) 1.489 2.783 ( 0.000 1.176 -0.570) 1.306 2.911 ( 0.000 -3.171 -0.452) 3.203 2.958 ( -0.000 0.195 0.078) 0.210 3.092 ( -0.000 -0.056 0.964) 0.966 3.114 ( 0.000 -0.329 -0.410) 0.525 3.195 ( -0.000 3.197 2.764) 4.227 3.289 ( 0.000 3.989 -1.451) 4.245 3.685 ( -0.000 1.015 0.098) 1.020 3.737 ( -0.000 2.216 0.663) 2.313 ======================= Grid point 300 (117/231) ======================= q-point: (-0.23 -0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 3.752 2.536 0.280) 4.537 1.155 ( 6.485 1.505 1.599) 6.847 1.296 ( 1.444 -3.293 -1.155) 3.776 1.323 ( 3.837 -0.922 1.265) 4.144 1.501 ( -1.215 -0.999 -0.906) 1.815 1.539 ( 1.048 -2.960 -1.043) 3.309 1.590 ( -2.336 -3.267 2.453) 4.706 1.947 ( -1.895 3.242 3.582) 5.190 2.181 ( -1.229 -6.386 -1.822) 6.754 2.595 ( 0.400 3.025 0.618) 3.113 2.654 ( -0.463 -2.467 -0.465) 2.553 2.691 ( 2.380 2.403 1.116) 3.562 2.830 ( 1.676 4.256 -1.971) 4.981 2.874 ( -0.728 0.269 0.109) 0.784 2.972 ( 0.842 0.522 0.718) 1.224 3.084 ( -1.456 1.169 2.716) 3.296 3.110 ( -0.453 -1.244 -1.016) 1.669 3.243 ( 0.134 5.528 2.013) 5.884 3.338 ( 0.289 6.403 -0.871) 6.468 3.665 ( -3.686 1.518 0.053) 3.987 3.723 ( -4.077 2.007 0.521) 4.574 ======================= Grid point 301 (118/231) ======================= q-point: (-0.15 -0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 0.890 -4.042 -1.044) 4.268 1.204 ( 5.439 -0.397 0.946) 5.535 1.343 ( 2.127 -3.127 0.375) 3.801 1.406 ( 7.947 -2.272 -0.111) 8.266 1.470 ( -1.421 -2.073 1.349) 2.853 1.493 ( 0.924 -4.003 1.573) 4.399 1.553 ( -1.585 0.306 -0.511) 1.693 1.954 ( -1.187 3.702 1.880) 4.319 2.083 ( 0.017 -9.066 0.156) 9.067 2.603 ( 0.359 -3.060 -0.187) 3.087 2.611 ( -0.139 -1.087 -0.370) 1.157 2.742 ( 0.366 1.015 0.757) 1.318 2.895 ( 0.105 4.037 1.689) 4.377 2.924 ( 1.128 6.201 -1.421) 6.461 2.990 ( 0.215 0.271 1.898) 1.929 3.058 ( -3.381 2.065 1.276) 4.162 3.075 ( -1.216 -1.379 -1.165) 2.176 3.321 ( 0.463 6.918 0.718) 6.971 3.412 ( 0.250 5.724 -0.172) 5.732 3.604 ( -4.743 2.728 -0.093) 5.472 3.656 ( -5.388 3.161 0.403) 6.260 ======================= Grid point 313 (119/231) ======================= q-point: (-0.23 -0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -0.000 2.042 0.418) 2.084 1.107 ( -0.000 1.328 4.183) 4.389 1.232 ( 0.000 -5.868 -2.867) 6.531 1.272 ( -0.000 -3.022 0.265) 3.034 1.461 ( 0.000 -5.038 -0.261) 5.045 1.523 ( 0.000 -1.853 -0.566) 1.938 1.582 ( -0.000 -2.144 1.414) 2.568 1.994 ( -0.000 -1.653 0.931) 1.897 2.110 ( -0.000 -7.186 1.652) 7.374 2.610 ( 0.000 -5.956 -2.542) 6.476 2.640 ( -0.000 2.561 1.567) 3.002 2.697 ( -0.000 4.123 1.430) 4.364 2.860 ( 0.000 5.346 -1.183) 5.475 2.887 ( 0.000 1.819 -0.800) 1.987 2.977 ( -0.000 2.416 1.144) 2.673 3.104 ( -0.000 1.413 0.770) 1.609 3.127 ( -0.000 1.612 1.008) 1.901 3.299 ( -0.000 5.471 2.340) 5.950 3.405 ( 0.000 7.357 -0.552) 7.378 3.718 ( -0.000 2.475 0.272) 2.490 3.780 ( -0.000 2.040 0.171) 2.047 ======================= Grid point 314 (120/231) ======================= q-point: (-0.15 -0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 0.447 -8.456 -3.303) 9.089 1.131 ( 3.120 0.936 2.768) 4.274 1.249 ( 6.255 -1.654 2.278) 6.859 1.259 ( 3.417 -5.452 -0.566) 6.460 1.430 ( 0.444 -4.257 0.933) 4.381 1.471 ( -0.862 -3.778 0.391) 3.895 1.568 ( -0.247 -0.898 -0.047) 0.932 1.911 ( 1.756 -12.894 -1.682) 13.121 2.071 ( -2.994 1.535 3.893) 5.145 2.521 ( 0.266 -8.624 -2.315) 8.933 2.651 ( -1.817 2.470 0.902) 3.196 2.753 ( 0.580 2.495 1.202) 2.830 2.926 ( 1.902 5.220 0.396) 5.570 2.944 ( 2.784 3.271 1.801) 4.657 3.013 ( -0.784 5.283 -0.723) 5.389 3.103 ( -2.070 1.501 -0.715) 2.655 3.136 ( -1.952 2.245 1.756) 3.454 3.366 ( 1.271 5.065 0.932) 5.305 3.475 ( -0.344 6.570 0.638) 6.610 3.715 ( -3.800 3.731 -0.716) 5.374 3.771 ( -3.606 3.427 0.586) 5.009 ======================= Grid point 327 (121/231) ======================= q-point: (-0.15 -0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 0.000 -11.886 -4.546) 12.726 1.079 ( 0.000 -6.615 -1.185) 6.720 1.152 ( -0.000 -5.634 1.258) 5.772 1.202 ( -0.000 0.108 6.440) 6.441 1.407 ( -0.000 -0.403 0.168) 0.437 1.419 ( -0.000 -7.373 0.108) 7.373 1.538 ( -0.000 -6.140 -0.102) 6.141 1.743 ( 0.000 -13.930 -1.080) 13.972 2.126 ( -0.000 2.147 2.651) 3.411 2.414 ( 0.000 -10.676 -2.437) 10.950 2.704 ( -0.000 2.605 0.669) 2.689 2.779 ( -0.000 3.338 0.803) 3.434 2.941 ( -0.000 2.859 5.338) 6.056 2.966 ( 0.000 5.458 -0.415) 5.474 3.079 ( 0.000 6.408 -4.272) 7.701 3.150 ( -0.000 2.820 2.213) 3.585 3.179 ( -0.000 2.809 1.225) 3.064 3.391 ( -0.000 2.108 0.935) 2.306 3.544 ( -0.000 5.387 0.669) 5.429 3.791 ( 0.000 4.698 -2.151) 5.167 3.851 ( -0.000 6.049 1.398) 6.209 ======================= Grid point 370 (122/231) ======================= q-point: ( 0.15 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.137 ( -0.000 0.000 20.000) 20.000 0.190 ( -0.000 0.000 16.221) 16.221 0.190 ( -0.000 0.000 16.221) 16.221 0.930 ( 0.000 -0.000 -5.944) 5.944 0.930 ( 0.000 -0.000 -5.944) 5.944 1.364 ( 0.000 -0.000 -8.692) 8.692 1.464 ( -0.000 0.000 0.575) 0.575 1.464 ( -0.000 0.000 0.575) 0.575 2.034 ( -0.000 0.000 10.739) 10.739 2.034 ( -0.000 0.000 10.739) 10.739 2.232 ( 0.000 -0.000 -1.278) 1.278 2.821 ( 0.000 -0.000 -3.548) 3.548 2.821 ( 0.000 -0.000 -3.548) 3.548 3.155 ( 0.000 -0.000 -2.755) 2.755 3.155 ( 0.000 -0.000 -2.755) 2.755 3.296 ( 0.000 -0.000 -0.103) 0.103 3.296 ( 0.000 -0.000 -0.103) 0.103 3.352 ( 0.000 -0.000 -6.227) 6.227 3.634 ( 0.000 -0.000 -4.209) 4.209 4.066 ( 0.000 -0.000 -3.876) 3.876 4.248 ( -0.000 0.000 2.359) 2.359 ======================= Grid point 371 (123/231) ======================= q-point: ( 0.23 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.349 ( 13.220 7.633 6.872) 16.740 0.448 ( 15.030 8.677 5.135) 18.099 0.653 ( 22.051 12.731 7.459) 26.532 0.972 ( 4.033 2.329 -5.117) 6.919 0.998 ( 6.214 3.587 -7.405) 10.311 1.339 ( 0.792 0.457 -6.191) 6.258 1.454 ( -1.012 -0.585 0.537) 1.287 1.498 ( 2.514 1.451 -1.623) 3.326 2.115 ( 4.659 2.690 11.424) 12.628 2.203 ( -2.201 -1.271 -2.583) 3.624 2.740 ( 9.364 5.406 -17.574) 20.634 2.784 ( -1.959 -1.131 -4.242) 4.807 2.886 ( 8.952 5.168 -8.978) 13.691 3.119 ( -1.110 -0.641 -2.587) 2.887 3.128 ( -2.000 -1.154 -2.668) 3.529 3.280 ( -1.321 -0.763 -0.267) 1.548 3.306 ( 0.425 0.245 -1.640) 1.712 3.379 ( 1.083 0.625 -3.221) 3.455 3.572 ( -2.668 -1.540 -1.344) 3.361 3.999 ( -4.411 -2.547 -1.879) 5.429 4.192 ( -4.857 -2.804 1.099) 5.715 ======================= Grid point 372 (124/231) ======================= q-point: ( 0.31 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 11.983 6.918 2.477) 14.056 0.786 ( 12.924 7.462 0.667) 14.939 1.081 ( 5.455 3.149 -2.558) 6.798 1.105 ( 11.199 6.466 -3.473) 13.389 1.166 ( 12.388 7.152 -2.183) 14.470 1.412 ( 6.146 3.548 2.320) 7.466 1.422 ( -1.591 -0.919 0.182) 1.846 1.564 ( 3.766 2.174 -3.538) 5.606 2.131 ( -2.933 -1.693 -4.908) 5.963 2.276 ( 7.153 4.130 9.605) 12.668 2.728 ( -1.961 -1.132 -3.625) 4.274 2.772 ( -0.411 -0.237 -5.290) 5.312 2.967 ( -1.501 -0.867 -5.039) 5.329 3.053 ( -3.998 -2.308 -2.156) 5.095 3.119 ( -0.174 -0.100 -1.004) 1.024 3.237 ( -2.200 -1.270 -0.672) 2.627 3.269 ( -3.418 -1.973 -2.802) 4.840 3.407 ( 1.869 1.079 1.272) 2.505 3.543 ( 0.301 0.174 -3.496) 3.514 3.866 ( -6.416 -3.704 -1.166) 7.500 4.047 ( -7.254 -4.188 -0.053) 8.376 ======================= Grid point 373 (125/231) ======================= q-point: ( 0.38 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 8.695 5.020 -1.940) 10.226 1.027 ( 7.418 4.283 -1.879) 8.769 1.185 ( 3.013 1.739 0.684) 3.545 1.260 ( 5.409 3.123 -1.098) 6.341 1.391 ( 4.834 2.791 -1.212) 5.711 1.403 ( 0.824 0.476 -0.425) 1.043 1.539 ( 1.612 0.931 -0.267) 1.881 1.737 ( 11.610 6.703 0.829) 13.432 2.085 ( 0.740 0.427 -5.421) 5.488 2.460 ( 6.988 4.035 5.879) 9.984 2.687 ( -1.152 -0.665 -2.225) 2.593 2.734 ( -2.023 -1.168 -3.262) 4.013 2.876 ( -4.974 -2.871 -2.593) 6.301 2.947 ( -4.336 -2.503 -0.832) 5.076 3.065 ( -3.708 -2.141 -0.229) 4.288 3.177 ( -3.380 -1.952 -2.830) 4.821 3.183 ( -2.223 -1.283 -0.978) 2.746 3.415 ( -2.149 -1.241 1.447) 2.873 3.531 ( -2.448 -1.413 -2.181) 3.570 3.741 ( -2.877 -1.661 -0.873) 3.434 3.883 ( -6.205 -3.582 -0.218) 7.168 ======================= Grid point 374 (126/231) ======================= q-point: ( 0.46 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 6.142 3.546 -5.519) 8.987 1.090 ( -1.558 -0.900 -0.415) 1.846 1.242 ( 2.687 1.551 -1.127) 3.301 1.277 ( -4.782 -2.761 4.076) 6.863 1.469 ( 1.906 1.100 -1.197) 2.505 1.471 ( 4.147 2.394 0.483) 4.813 1.564 ( 3.192 1.843 -1.627) 4.029 1.925 ( 2.884 1.665 -2.805) 4.354 2.168 ( 5.969 3.446 -0.069) 6.893 2.579 ( 0.273 0.158 0.300) 0.435 2.665 ( 1.061 0.613 0.520) 1.331 2.670 ( -2.998 -1.731 -2.235) 4.121 2.763 ( -3.530 -2.038 -1.125) 4.228 2.887 ( -0.255 -0.147 0.705) 0.764 2.983 ( -2.813 -1.624 0.583) 3.300 3.114 ( -1.693 -0.978 -3.078) 3.647 3.138 ( -1.361 -0.786 -0.608) 1.685 3.317 ( -5.445 -3.144 -0.773) 6.335 3.421 ( -5.528 -3.191 0.360) 6.393 3.724 ( 0.229 0.132 -0.910) 0.948 3.773 ( -3.369 -1.945 0.173) 3.894 ======================= Grid point 375 (127/231) ======================= q-point: ( 0.54 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -3.467 -2.002 1.218) 4.185 1.067 ( -6.618 -3.821 -0.486) 7.658 1.236 ( 4.050 2.338 -2.151) 5.147 1.293 ( 1.905 1.100 -2.813) 3.571 1.452 ( -1.986 -1.147 0.807) 2.432 1.561 ( 3.140 1.813 1.364) 3.874 1.676 ( 4.821 2.784 -1.479) 5.760 1.897 ( -3.275 -1.891 -3.718) 5.303 2.264 ( 1.164 0.672 3.281) 3.546 2.498 ( -4.530 -2.615 -0.022) 5.231 2.598 ( -2.599 -1.501 -1.643) 3.422 2.728 ( 2.427 1.402 -0.601) 2.867 2.735 ( 0.929 0.536 -0.188) 1.089 2.920 ( 2.168 1.252 0.549) 2.563 2.945 ( -0.729 -0.421 1.156) 1.430 3.063 ( -2.656 -1.533 -2.745) 4.116 3.119 ( -0.327 -0.189 0.458) 0.593 3.231 ( -0.770 -0.444 -1.337) 1.606 3.308 ( -4.049 -2.338 0.948) 4.771 3.713 ( -1.688 -0.975 0.886) 2.141 3.721 ( -0.754 -0.435 -1.547) 1.775 ======================= Grid point 376 (128/231) ======================= q-point: ( 0.62 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -4.029 -2.326 2.505) 5.284 0.961 ( -1.535 -0.886 2.094) 2.743 1.320 ( 0.917 0.529 -3.239) 3.408 1.329 ( 3.154 1.821 -3.517) 5.063 1.418 ( -0.381 -0.220 0.732) 0.854 1.613 ( 0.989 0.571 1.804) 2.135 1.742 ( 0.741 0.428 -2.266) 2.422 1.834 ( -0.305 -0.176 0.045) 0.355 2.250 ( -2.199 -1.270 1.806) 3.116 2.420 ( -1.772 -1.023 1.424) 2.492 2.553 ( -0.849 -0.490 -1.067) 1.449 2.759 ( 0.616 0.356 -2.877) 2.963 2.766 ( 1.118 0.645 0.565) 1.409 2.935 ( -0.450 -0.260 1.151) 1.263 2.963 ( 1.128 0.651 0.426) 1.370 3.022 ( 0.058 0.034 -0.308) 0.316 3.117 ( -0.175 -0.101 1.149) 1.167 3.234 ( -1.060 -0.612 -1.244) 1.745 3.251 ( 0.147 0.085 0.202) 0.264 3.688 ( -0.367 -0.212 -0.032) 0.425 3.699 ( -0.859 -0.496 -0.934) 1.362 ======================= Grid point 377 (129/231) ======================= q-point: (-0.31 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 3.088 1.783 2.287) 4.236 0.964 ( 1.364 0.787 2.237) 2.736 1.325 ( 0.073 0.042 -2.963) 2.964 1.357 ( 0.457 0.264 -2.285) 2.345 1.438 ( 0.932 0.538 2.354) 2.589 1.612 ( -1.397 -0.807 1.788) 2.408 1.725 ( -1.260 -0.728 -2.516) 2.906 1.880 ( 3.148 1.818 1.998) 4.148 2.205 ( -0.830 -0.479 -0.891) 1.309 2.431 ( 2.373 1.370 2.184) 3.504 2.562 ( 1.718 0.992 -0.418) 2.028 2.752 ( -0.598 -0.346 -3.377) 3.447 2.777 ( -0.353 -0.204 1.189) 1.257 2.940 ( 0.357 0.206 1.254) 1.320 2.962 ( -1.368 -0.790 0.335) 1.614 3.050 ( 2.016 1.164 1.844) 2.970 3.112 ( -0.319 -0.184 0.911) 0.983 3.209 ( -0.152 -0.088 -2.311) 2.317 3.254 ( -0.322 -0.186 -0.303) 0.479 3.681 ( -0.057 -0.033 -0.594) 0.598 3.705 ( 1.387 0.801 -0.489) 1.674 ======================= Grid point 378 (130/231) ======================= q-point: (-0.23 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 3.069 1.772 1.297) 3.774 1.040 ( 5.845 3.374 -1.108) 6.839 1.313 ( -0.769 -0.444 -1.694) 1.912 1.324 ( -3.769 -2.176 1.598) 4.636 1.476 ( 2.241 1.294 2.746) 3.773 1.555 ( -3.650 -2.107 1.151) 4.369 1.670 ( -3.210 -1.853 -1.761) 4.104 1.959 ( 3.276 1.891 -1.107) 3.941 2.209 ( -0.496 -0.286 0.742) 0.937 2.525 ( 4.891 2.824 1.803) 5.928 2.623 ( 3.258 1.881 -0.210) 3.768 2.716 ( -2.432 -1.404 -1.569) 3.216 2.769 ( 0.434 0.250 1.753) 1.823 2.909 ( -2.718 -1.569 -0.093) 3.140 2.948 ( 0.578 0.333 1.427) 1.575 3.100 ( 1.092 0.630 -0.333) 1.304 3.112 ( 0.337 0.194 0.009) 0.389 3.230 ( 2.506 1.447 -2.698) 3.956 3.275 ( 3.337 1.927 0.461) 3.881 3.691 ( 0.919 0.530 -0.844) 1.356 3.742 ( 1.665 0.961 -0.055) 1.924 ======================= Grid point 379 (131/231) ======================= q-point: (-0.15 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 2.211 1.276 -0.317) 2.572 1.129 ( 0.112 0.065 -3.552) 3.554 1.217 ( -3.847 -2.221 2.426) 5.062 1.272 ( -3.319 -1.916 0.555) 3.872 1.460 ( -3.992 -2.305 -0.086) 4.610 1.517 ( -0.800 -0.462 1.669) 1.908 1.588 ( -2.501 -1.444 -0.469) 2.926 1.991 ( -3.827 -2.210 1.596) 4.699 2.124 ( -3.759 -2.170 -3.265) 5.432 2.597 ( -4.959 -2.863 2.061) 6.086 2.648 ( 1.913 1.105 -1.246) 2.537 2.702 ( 3.589 2.072 -0.404) 4.163 2.848 ( 5.294 3.057 2.962) 6.793 2.883 ( 1.388 0.801 0.549) 1.694 2.980 ( 2.088 1.205 0.129) 2.414 3.111 ( 1.105 0.638 -1.617) 2.060 3.133 ( 1.593 0.920 -0.930) 2.061 3.313 ( 4.422 2.553 -2.385) 5.635 3.402 ( 6.675 3.854 0.368) 7.716 3.720 ( 1.938 1.119 -0.624) 2.324 3.780 ( 1.796 1.037 0.253) 2.089 ======================= Grid point 384 (132/231) ======================= q-point: ( 0.23 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( -0.000 17.106 9.925) 19.777 0.512 ( -0.000 17.637 7.451) 19.147 0.608 ( -0.000 23.696 5.874) 24.413 0.939 ( 0.000 3.588 -6.899) 7.776 1.005 ( 0.000 8.337 -6.713) 10.703 1.312 ( 0.000 -0.048 -8.076) 8.076 1.454 ( -0.000 -1.119 0.505) 1.227 1.498 ( 0.000 2.822 -1.255) 3.088 2.124 ( -0.000 4.780 11.707) 12.645 2.201 ( 0.000 -2.249 -3.087) 3.819 2.710 ( 0.000 16.033 -18.267) 24.305 2.793 ( 0.000 -1.619 -3.646) 3.989 2.825 ( 0.000 3.958 -4.760) 6.191 3.118 ( 0.000 -2.262 -3.405) 4.088 3.123 ( 0.000 -0.767 -3.501) 3.584 3.278 ( 0.000 -1.747 -0.218) 1.760 3.307 ( 0.000 1.150 -0.765) 1.381 3.368 ( 0.000 0.128 -3.180) 3.183 3.596 ( 0.000 -0.250 -2.611) 2.623 4.003 ( 0.000 -4.237 -1.831) 4.616 4.189 ( -0.000 -6.245 -0.133) 6.246 ======================= Grid point 385 (133/231) ======================= q-point: ( 0.31 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 4.183 14.634 7.970) 17.181 0.762 ( 5.664 17.081 2.342) 18.148 0.963 ( 11.092 11.507 -1.115) 16.022 1.032 ( 6.912 7.635 -3.782) 10.971 1.104 ( 2.992 8.539 -5.919) 10.812 1.349 ( 4.015 3.517 -1.594) 5.571 1.440 ( -0.438 -0.819 0.404) 1.013 1.537 ( 1.514 3.134 -2.822) 4.481 2.146 ( -2.258 -2.842 -4.745) 5.974 2.243 ( 4.187 5.785 10.713) 12.875 2.733 ( -2.099 -1.736 -4.112) 4.932 2.771 ( 0.070 0.976 -5.856) 5.937 2.933 ( 3.763 0.957 -3.938) 5.531 3.080 ( -1.818 -2.315 -3.701) 4.729 3.116 ( 1.084 0.984 -2.578) 2.965 3.235 ( -1.767 -2.846 -0.510) 3.388 3.293 ( -1.938 -2.961 -1.857) 3.997 3.382 ( 2.358 1.539 -1.345) 3.120 3.566 ( -2.436 0.832 -1.769) 3.123 3.914 ( -4.163 -5.080 -0.906) 6.630 4.079 ( -3.675 -8.091 -1.425) 9.000 ======================= Grid point 386 (134/231) ======================= q-point: ( 0.38 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 5.117 10.445 3.388) 12.115 1.000 ( 4.697 11.331 -1.648) 12.376 1.159 ( 6.675 5.375 -0.920) 8.620 1.194 ( 4.020 5.486 -4.564) 8.191 1.298 ( 6.503 2.887 -1.809) 7.341 1.433 ( 0.242 3.091 0.580) 3.155 1.500 ( 4.382 2.550 1.925) 5.423 1.638 ( 7.362 7.740 -1.308) 10.762 2.068 ( -1.508 -2.482 -5.851) 6.532 2.403 ( 5.543 4.967 7.689) 10.701 2.676 ( -1.006 -2.383 -2.920) 3.901 2.757 ( -1.185 0.028 -2.874) 3.109 2.929 ( -2.258 -1.086 -1.284) 2.815 2.998 ( -3.919 -2.102 -3.011) 5.371 3.110 ( -2.634 -0.793 -1.431) 3.101 3.162 ( -2.038 -4.716 -2.200) 5.588 3.213 ( -1.915 -3.348 -0.968) 3.976 3.436 ( 0.339 0.925 0.995) 1.400 3.538 ( -0.662 -0.257 -2.468) 2.568 3.773 ( -5.058 -5.014 0.063) 7.122 3.917 ( -4.538 -7.895 -1.697) 9.263 ======================= Grid point 387 (135/231) ======================= q-point: ( 0.46 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 3.940 7.129 -1.369) 8.260 1.131 ( -0.476 5.136 -1.886) 5.492 1.249 ( 0.333 4.063 1.078) 4.217 1.314 ( 2.932 2.665 0.852) 4.053 1.411 ( 5.690 2.814 -2.189) 6.715 1.463 ( -1.072 2.622 -0.251) 2.844 1.534 ( 1.271 -0.785 -0.736) 1.665 1.871 ( 6.319 5.600 -0.448) 8.455 2.069 ( 5.626 -0.443 -3.193) 6.484 2.546 ( 4.558 2.867 3.475) 6.408 2.634 ( -0.655 -2.723 -1.445) 3.152 2.730 ( -1.808 0.920 -1.599) 2.583 2.837 ( -6.054 -0.698 -0.849) 6.153 2.922 ( -3.038 0.324 -0.132) 3.058 3.035 ( -3.908 -0.552 -0.670) 4.003 3.078 ( -0.529 -5.261 -3.268) 6.216 3.160 ( -1.002 -1.950 -0.654) 2.288 3.385 ( -5.146 -2.072 0.298) 5.556 3.481 ( -4.708 -2.855 -1.110) 5.616 3.691 ( 0.847 -3.295 -0.152) 3.406 3.781 ( -2.399 -6.156 -0.705) 6.644 ======================= Grid point 388 (136/231) ======================= q-point: ( 0.54 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -5.273 0.269 0.194) 5.283 1.128 ( 1.956 4.966 -3.883) 6.601 1.274 ( -6.736 1.831 1.855) 7.222 1.314 ( -0.160 5.717 -1.412) 5.891 1.464 ( 0.297 -1.099 1.210) 1.662 1.529 ( 3.413 2.680 0.678) 4.392 1.598 ( 5.537 1.652 -1.828) 6.061 1.915 ( -1.480 -0.995 -3.252) 3.708 2.198 ( 6.644 -0.715 1.432) 6.834 2.554 ( -3.315 -1.300 -0.819) 3.653 2.645 ( -0.527 0.888 -0.464) 1.132 2.688 ( -1.204 0.818 -0.277) 1.482 2.778 ( -1.353 2.397 0.425) 2.785 2.900 ( 0.143 0.345 1.451) 1.498 2.975 ( -2.695 0.002 0.873) 2.833 3.036 ( 0.991 -3.094 -4.291) 5.382 3.143 ( 0.202 -0.042 0.003) 0.207 3.253 ( -5.301 -3.031 -0.978) 6.184 3.358 ( -4.903 -3.105 0.251) 5.809 3.688 ( 1.736 -3.415 -0.363) 3.848 3.704 ( -0.354 -4.792 -0.229) 4.810 ======================= Grid point 389 (137/231) ======================= q-point: ( 0.62 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -5.343 0.355 1.133) 5.473 1.107 ( -7.979 6.161 0.759) 10.109 1.268 ( 2.726 2.063 -2.019) 3.970 1.358 ( -0.947 5.079 -1.874) 5.496 1.438 ( -1.634 -0.192 0.986) 1.918 1.603 ( 1.892 1.624 1.120) 2.733 1.691 ( 4.276 -0.812 -1.791) 4.706 1.850 ( -2.491 -1.061 -1.593) 3.141 2.250 ( 1.039 -2.285 1.827) 3.105 2.483 ( -4.041 1.166 0.661) 4.258 2.590 ( -3.379 1.049 -1.013) 3.680 2.728 ( 1.808 0.677 -0.547) 2.006 2.794 ( -0.625 3.153 -0.202) 3.221 2.925 ( 2.229 -1.338 1.612) 3.059 2.945 ( -0.790 -0.650 1.347) 1.692 3.015 ( -0.057 -0.690 -3.612) 3.678 3.132 ( -1.490 -0.016 1.227) 1.930 3.207 ( 2.401 -1.406 -1.410) 3.119 3.263 ( -2.855 -2.402 0.585) 3.777 3.662 ( 0.840 -4.090 0.154) 4.179 3.675 ( 0.948 -3.579 -1.024) 3.841 ======================= Grid point 390 (138/231) ======================= q-point: (-0.31 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -1.803 3.937 2.193) 4.854 1.064 ( -5.618 8.853 2.059) 10.686 1.320 ( 1.487 1.226 -3.135) 3.680 1.369 ( -1.663 2.691 -1.868) 3.674 1.435 ( 0.347 1.264 1.189) 1.770 1.626 ( -0.266 -0.069 1.045) 1.081 1.711 ( 0.661 -2.440 -1.828) 3.119 1.848 ( 2.041 1.105 1.683) 2.867 2.219 ( -1.631 -1.355 -0.931) 2.316 2.458 ( -1.632 3.903 2.052) 4.701 2.569 ( -0.609 2.268 -0.484) 2.398 2.741 ( -0.034 -0.375 -1.965) 2.000 2.807 ( -1.194 2.144 -0.323) 2.476 2.936 ( 0.369 -0.460 0.267) 0.647 2.939 ( 1.089 -2.777 2.618) 3.969 3.034 ( 2.289 1.150 -1.211) 2.834 3.120 ( -0.319 -0.359 1.982) 2.040 3.207 ( -1.138 -1.411 -0.998) 2.069 3.231 ( 1.553 -1.972 -0.765) 2.624 3.651 ( 1.483 -3.334 -0.416) 3.672 3.659 ( 2.225 -2.970 -0.758) 3.788 ======================= Grid point 391 (139/231) ======================= q-point: (-0.23 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 1.542 5.748 1.889) 6.243 1.096 ( -2.141 10.292 0.801) 10.542 1.338 ( -0.237 0.993 -2.324) 2.538 1.353 ( -2.385 0.877 -0.580) 2.607 1.461 ( 1.147 0.870 2.169) 2.603 1.598 ( -2.383 -1.223 0.918) 2.831 1.675 ( -1.078 -3.377 -1.900) 4.022 1.909 ( 2.968 0.624 -0.374) 3.056 2.201 ( 0.659 -0.030 0.472) 0.811 2.512 ( 1.696 5.011 2.005) 5.657 2.609 ( 1.535 3.786 -0.307) 4.097 2.720 ( -1.004 -1.448 -1.749) 2.483 2.796 ( -1.485 1.142 0.198) 1.884 2.907 ( -0.667 -3.708 0.727) 3.837 2.950 ( 0.611 0.226 1.438) 1.579 3.086 ( 1.625 0.490 -2.332) 2.884 3.123 ( -0.402 1.492 2.763) 3.165 3.192 ( 1.224 -0.834 -2.367) 2.792 3.237 ( 2.429 -0.397 0.226) 2.471 3.648 ( 2.225 -2.988 -0.535) 3.763 3.687 ( 3.607 -2.379 -0.579) 4.360 ======================= Grid point 392 (140/231) ======================= q-point: (-0.15 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 0.940 4.762 0.148) 4.856 1.165 ( -1.623 6.312 -2.076) 6.840 1.287 ( -4.122 -0.332 2.045) 4.613 1.329 ( -2.979 2.240 -0.945) 3.845 1.496 ( 0.576 -0.856 1.085) 1.497 1.531 ( -3.424 -0.404 1.479) 3.752 1.601 ( -2.014 -3.956 -1.748) 4.771 1.965 ( 3.676 -0.337 -2.468) 4.441 2.173 ( -4.360 -3.750 1.148) 5.865 2.595 ( 2.487 2.269 0.535) 3.409 2.652 ( -2.478 -2.445 0.131) 3.484 2.696 ( 1.274 3.710 -0.778) 3.999 2.818 ( 2.540 3.044 2.288) 4.577 2.875 ( 0.770 -0.003 -0.255) 0.811 2.973 ( 0.644 1.388 0.447) 1.595 3.100 ( 0.603 -0.657 -2.661) 2.807 3.105 ( -0.007 -1.116 0.714) 1.325 3.255 ( 4.771 2.487 -2.218) 5.819 3.333 ( 5.622 3.714 0.752) 6.780 3.666 ( 3.178 -2.542 -0.484) 4.098 3.725 ( 3.643 -2.528 -0.187) 4.438 ======================= Grid point 398 (141/231) ======================= q-point: ( 0.31 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -0.000 16.033 9.663) 18.720 0.869 ( -0.000 15.052 3.184) 15.385 1.007 ( 0.000 10.792 -7.841) 13.340 1.010 ( 0.000 5.365 -4.963) 7.308 1.173 ( 0.000 11.891 -4.078) 12.571 1.377 ( -0.000 9.708 1.630) 9.844 1.426 ( -0.000 -1.667 0.152) 1.674 1.559 ( 0.000 4.315 -2.705) 5.092 2.126 ( 0.000 -3.306 -5.661) 6.556 2.296 ( -0.000 7.911 9.858) 12.640 2.738 ( 0.000 -2.416 -3.082) 3.916 2.766 ( 0.000 0.435 -4.868) 4.888 2.899 ( 0.000 1.063 -1.596) 1.918 3.044 ( 0.000 -3.694 -2.932) 4.716 3.115 ( 0.000 0.849 -3.294) 3.402 3.226 ( 0.000 -3.107 -0.584) 3.161 3.260 ( 0.000 -6.225 -1.898) 6.508 3.377 ( 0.000 2.483 -0.715) 2.584 3.590 ( 0.000 -0.751 -1.615) 1.782 3.899 ( 0.000 -5.044 -0.566) 5.075 4.013 ( 0.000 -10.018 -2.532) 10.333 ======================= Grid point 399 (142/231) ======================= q-point: ( 0.38 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 0.040 13.223 7.140) 15.028 1.039 ( 1.655 5.190 -6.386) 8.393 1.093 ( 7.524 10.786 1.872) 13.284 1.148 ( 6.329 4.174 -5.694) 9.482 1.288 ( 0.009 7.659 -2.447) 8.040 1.432 ( 2.096 0.390 0.330) 2.158 1.500 ( 0.957 6.604 2.258) 7.044 1.641 ( 2.873 11.385 -1.077) 11.792 2.062 ( -2.003 -3.213 -6.123) 7.199 2.413 ( 1.992 7.356 7.660) 10.805 2.679 ( -2.374 -2.175 -2.730) 4.221 2.760 ( 0.072 -0.518 -2.548) 2.601 2.916 ( 1.493 -1.004 -0.081) 1.801 3.004 ( -0.430 -3.833 -3.502) 5.210 3.109 ( -0.529 -1.677 -3.871) 4.252 3.171 ( -2.186 -3.578 0.226) 4.199 3.181 ( -0.621 -5.734 -1.217) 5.894 3.417 ( 2.169 0.709 0.183) 2.289 3.551 ( -1.835 -2.421 -1.243) 3.282 3.812 ( -4.315 -4.320 0.407) 6.119 3.884 ( -2.470 -9.447 -2.920) 10.192 ======================= Grid point 400 (143/231) ======================= q-point: ( 0.46 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 0.521 8.943 1.927) 9.163 1.148 ( 4.840 4.232 -1.174) 6.536 1.275 ( 3.256 3.384 -0.096) 4.697 1.300 ( 1.431 5.369 -2.184) 5.970 1.336 ( 5.726 6.059 -1.175) 8.419 1.484 ( 2.223 -0.049 1.009) 2.441 1.528 ( -1.654 1.643 -1.837) 2.968 1.851 ( 5.181 11.807 0.349) 12.899 1.993 ( -0.284 -2.859 -4.326) 5.193 2.528 ( 2.556 5.152 4.456) 7.275 2.625 ( -1.112 -1.698 -1.537) 2.546 2.747 ( -0.437 -0.441 -0.669) 0.913 2.914 ( -2.933 -1.223 -0.970) 3.323 2.948 ( 0.293 -1.089 -2.849) 3.064 3.033 ( -1.991 -4.762 -4.743) 7.010 3.096 ( -3.332 -1.750 0.787) 3.845 3.130 ( -0.001 -4.361 0.343) 4.375 3.431 ( -1.122 -2.414 0.912) 2.814 3.494 ( -0.649 -3.459 -1.600) 3.866 3.681 ( -4.896 -4.170 1.065) 6.518 3.747 ( -2.628 -7.241 -2.117) 7.988 ======================= Grid point 401 (144/231) ======================= q-point: ( 0.54 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 0.189 4.292 1.701) 4.620 1.191 ( -3.201 3.731 -2.937) 5.727 1.351 ( 3.287 4.408 0.695) 5.543 1.387 ( 1.420 4.201 -0.634) 4.480 1.445 ( -2.144 1.285 -1.414) 2.871 1.514 ( 0.328 0.922 0.919) 1.343 1.527 ( 4.777 2.142 -0.980) 5.326 1.938 ( -1.778 1.351 -2.048) 3.030 2.061 ( 7.668 1.073 -0.282) 7.748 2.581 ( -1.591 -1.061 -0.740) 2.051 2.626 ( 2.544 3.034 1.834) 4.363 2.743 ( -0.537 0.583 -0.563) 0.972 2.831 ( -3.672 0.450 -0.729) 3.771 2.933 ( -3.226 -1.214 0.045) 3.447 2.972 ( 1.530 -2.398 -2.894) 4.058 3.035 ( -2.898 0.631 -0.761) 3.062 3.098 ( 1.767 -3.913 0.380) 4.310 3.332 ( -6.002 -3.749 -0.246) 7.081 3.417 ( -4.501 -2.697 -0.404) 5.263 3.608 ( 1.259 -4.785 0.548) 4.978 3.647 ( -0.651 -6.499 -0.901) 6.594 ======================= Grid point 402 (145/231) ======================= q-point: ( 0.62 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -5.392 1.977 -0.006) 5.743 1.223 ( -0.113 4.986 -1.862) 5.324 1.348 ( -5.870 4.559 -0.132) 7.433 1.435 ( -0.737 5.426 0.785) 5.532 1.457 ( 0.053 0.396 1.575) 1.625 1.560 ( 4.678 -0.358 -0.074) 4.693 1.613 ( 2.532 0.961 -1.838) 3.273 1.896 ( -3.265 0.985 -1.511) 3.730 2.177 ( 5.196 -0.822 0.682) 5.305 2.543 ( -1.611 0.523 -0.489) 1.763 2.678 ( -2.362 2.049 -0.463) 3.161 2.716 ( -0.723 1.779 0.052) 1.921 2.828 ( 0.371 2.455 0.967) 2.665 2.877 ( 0.160 -3.218 1.861) 3.721 2.954 ( -0.908 -2.032 0.466) 2.274 3.019 ( -0.655 2.193 -4.315) 4.884 3.123 ( 3.893 -1.888 0.214) 4.332 3.181 ( -5.364 -4.016 -0.793) 6.748 3.311 ( -4.885 -1.552 0.813) 5.189 3.585 ( 1.478 -6.357 0.435) 6.541 3.596 ( 2.245 -5.573 -1.052) 6.099 ======================= Grid point 403 (146/231) ======================= q-point: ( 0.69 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -4.294 4.920 0.508) 6.550 1.246 ( -2.571 5.298 -2.065) 6.240 1.335 ( -2.176 6.034 1.489) 6.585 1.439 ( -2.472 2.930 -0.767) 3.910 1.463 ( -1.192 1.832 2.343) 3.204 1.624 ( -0.000 -0.676 -1.514) 1.658 1.634 ( 4.449 -3.004 -0.773) 5.424 1.869 ( -1.929 3.518 1.212) 4.191 2.221 ( 0.419 -0.101 -1.524) 1.583 2.542 ( -1.433 4.127 0.819) 4.445 2.623 ( -3.525 1.966 -0.098) 4.037 2.742 ( 0.221 0.693 -0.401) 0.831 2.850 ( -0.970 1.612 0.318) 1.908 2.879 ( 2.305 -2.914 2.591) 4.530 2.927 ( 0.110 -1.573 0.359) 1.617 3.008 ( -0.126 0.655 -3.370) 3.435 3.108 ( 0.350 -2.213 0.705) 2.349 3.167 ( 2.822 -2.164 -0.622) 3.610 3.230 ( -2.925 -0.796 0.543) 3.079 3.562 ( 2.939 -5.509 -0.253) 6.250 3.576 ( 2.182 -5.708 -0.725) 6.153 ======================= Grid point 404 (147/231) ======================= q-point: (-0.23 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -0.685 7.355 0.993) 7.453 1.253 ( -2.634 6.119 -2.081) 6.979 1.361 ( -1.987 5.012 1.838) 5.696 1.428 ( -3.006 3.459 -0.431) 4.603 1.464 ( 0.057 1.006 1.469) 1.782 1.594 ( 0.101 -3.818 -1.272) 4.025 1.653 ( 0.163 -1.988 -0.792) 2.146 1.896 ( -0.133 3.165 1.481) 3.497 2.202 ( -1.061 0.151 -1.917) 2.196 2.562 ( -1.579 4.201 1.285) 4.669 2.633 ( 1.060 4.337 0.133) 4.467 2.727 ( -1.358 -0.426 -0.940) 1.706 2.829 ( -1.505 -0.971 0.303) 1.817 2.881 ( 0.126 -1.889 1.871) 2.662 2.928 ( 1.529 -1.153 0.460) 1.969 3.050 ( 2.822 0.981 -2.901) 4.164 3.111 ( 1.700 -1.170 1.080) 2.329 3.178 ( 0.867 -2.401 -1.386) 2.904 3.199 ( 0.138 1.442 1.347) 1.978 3.560 ( 2.771 -5.291 -0.375) 5.985 3.577 ( 4.401 -4.778 -0.728) 6.537 ======================= Grid point 405 (148/231) ======================= q-point: (-0.15 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -0.261 7.032 0.857) 7.089 1.251 ( -2.560 1.568 -2.148) 3.691 1.374 ( -2.769 5.088 0.249) 5.798 1.418 ( -2.780 5.103 1.551) 6.015 1.476 ( 0.149 -0.439 0.784) 0.911 1.557 ( 0.313 -2.998 -0.850) 3.131 1.599 ( -3.283 -2.574 -1.447) 4.416 1.912 ( 0.599 0.511 -1.408) 1.613 2.190 ( -0.899 -1.782 0.776) 2.141 2.583 ( 0.895 1.016 -0.334) 1.395 2.682 ( -2.059 0.179 0.138) 2.071 2.716 ( 0.447 3.218 -0.666) 3.317 2.812 ( 1.270 1.307 2.231) 2.880 2.867 ( -0.215 0.173 0.430) 0.511 2.959 ( 2.498 -0.113 0.260) 2.514 3.055 ( 0.360 -1.968 -2.523) 3.220 3.127 ( -2.161 -2.684 -0.008) 3.446 3.188 ( 5.237 2.958 -2.056) 6.357 3.288 ( 4.454 4.239 1.788) 6.403 3.567 ( 3.769 -4.411 -0.172) 5.804 3.610 ( 4.911 -4.641 -0.659) 6.789 ======================= Grid point 412 (149/231) ======================= q-point: ( 0.38 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 0.000 1.590 -6.890) 7.071 1.056 ( 0.000 3.722 -2.812) 4.665 1.115 ( -0.000 11.523 5.667) 12.841 1.161 ( -0.000 9.076 1.539) 9.205 1.380 ( 0.000 7.830 -2.944) 8.365 1.402 ( 0.000 0.037 -0.402) 0.404 1.549 ( -0.000 2.748 0.425) 2.781 1.766 ( -0.000 16.876 1.359) 16.931 2.039 ( 0.000 -2.644 -5.979) 6.537 2.494 ( -0.000 8.339 6.097) 10.330 2.679 ( 0.000 -2.545 -2.372) 3.479 2.737 ( 0.000 -2.163 -2.405) 3.235 2.887 ( -0.000 -0.760 0.855) 1.144 2.958 ( 0.000 -3.826 -1.284) 4.035 3.070 ( 0.000 -6.777 -5.602) 8.793 3.130 ( 0.000 -2.675 -0.557) 2.733 3.159 ( 0.000 -2.987 -0.725) 3.074 3.392 ( -0.000 -2.456 1.365) 2.810 3.528 ( 0.000 -4.756 -1.256) 4.919 3.810 ( 0.000 -7.056 -0.616) 7.082 3.821 ( 0.000 -3.390 -1.622) 3.758 ======================= Grid point 413 (150/231) ======================= q-point: ( 0.46 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 3.680 1.684 -4.966) 6.406 1.137 ( 4.324 2.295 0.074) 4.896 1.235 ( 2.117 6.901 3.601) 8.067 1.274 ( 4.129 3.708 0.368) 5.562 1.402 ( -1.364 7.003 -1.934) 7.392 1.455 ( 1.254 1.604 -0.725) 2.161 1.560 ( -0.592 0.868 -0.976) 1.434 1.921 ( 0.410 8.122 -1.656) 8.299 2.007 ( -1.689 4.280 -1.491) 4.836 2.577 ( -0.320 6.253 3.619) 7.232 2.627 ( -1.435 -2.098 -1.798) 3.114 2.726 ( 1.487 -2.224 -1.091) 2.889 2.904 ( 1.800 -1.390 -1.147) 2.547 2.914 ( -0.707 -3.099 -0.701) 3.255 2.989 ( 0.390 -5.747 -3.924) 6.970 3.099 ( -1.112 -2.718 -1.752) 3.420 3.124 ( -1.033 -1.359 1.006) 1.982 3.367 ( 1.724 -6.040 1.074) 6.372 3.464 ( -0.751 -5.464 -0.555) 5.543 3.720 ( -3.170 -4.519 -0.594) 5.552 3.757 ( -4.027 -2.304 -0.627) 4.681 ======================= Grid point 414 (151/231) ======================= q-point: ( 0.54 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 4.638 0.977 -1.356) 4.930 1.197 ( 2.032 0.942 -0.628) 2.326 1.345 ( 2.661 4.077 1.538) 5.106 1.388 ( 4.168 4.112 -2.290) 6.287 1.453 ( 1.785 0.845 -0.675) 2.087 1.486 ( 0.478 4.336 1.385) 4.576 1.543 ( -1.218 0.217 -1.363) 1.840 1.925 ( 1.104 -2.589 -1.072) 3.012 2.071 ( -1.908 9.209 -0.956) 9.454 2.587 ( -0.674 -1.443 -0.967) 1.863 2.637 ( 0.683 3.713 1.365) 4.015 2.733 ( 1.282 -0.923 -0.000) 1.579 2.859 ( -0.730 -1.642 -2.446) 3.036 2.918 ( 1.129 -2.684 -0.877) 3.041 2.963 ( -0.129 -0.606 -1.329) 1.466 3.041 ( -0.816 -3.409 -0.663) 3.568 3.091 ( -2.635 0.445 0.734) 2.771 3.321 ( 0.339 -7.995 0.554) 8.021 3.410 ( 0.691 -4.443 -0.185) 4.500 3.611 ( -4.853 -2.804 0.610) 5.638 3.644 ( -5.291 -2.910 -0.923) 6.108 ======================= Grid point 415 (152/231) ======================= q-point: ( 0.62 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -0.820 0.223 -0.932) 1.261 1.283 ( 1.967 3.359 -1.286) 4.100 1.400 ( 0.415 2.075 1.664) 2.692 1.431 ( 0.923 -0.084 -1.743) 1.974 1.499 ( 0.053 3.058 0.379) 3.082 1.527 ( 0.111 1.377 -0.496) 1.468 1.579 ( 3.440 1.798 0.170) 3.885 1.940 ( 1.440 0.477 0.462) 1.586 2.114 ( 0.913 4.026 -1.434) 4.370 2.561 ( -0.653 -0.490 -0.634) 1.034 2.686 ( 1.163 2.051 0.403) 2.393 2.749 ( 0.575 0.166 -0.015) 0.599 2.855 ( 0.150 1.736 -0.149) 1.748 2.886 ( -2.769 -1.520 0.331) 3.176 2.928 ( -0.477 -3.163 -1.068) 3.373 3.037 ( 2.571 -1.464 0.757) 3.054 3.060 ( -1.525 1.919 -1.484) 2.866 3.216 ( -3.422 -7.079 -0.587) 7.885 3.373 ( -2.008 -2.599 0.741) 3.367 3.517 ( -1.399 -4.147 0.137) 4.379 3.531 ( -2.949 -4.226 -0.396) 5.169 ======================= Grid point 416 (153/231) ======================= q-point: ( 0.69 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -2.215 3.759 -0.553) 4.398 1.303 ( -2.270 3.246 -0.624) 4.010 1.425 ( 0.358 2.345 0.329) 2.395 1.462 ( 2.558 -0.982 0.742) 2.839 1.519 ( -1.965 2.346 0.706) 3.141 1.536 ( 1.414 -0.674 0.068) 1.568 1.617 ( 0.417 -0.372 -1.742) 1.830 1.970 ( -1.868 6.509 0.535) 6.793 2.195 ( 3.404 2.569 -0.707) 4.323 2.568 ( 1.044 2.017 -0.211) 2.281 2.706 ( -1.492 0.627 -0.456) 1.682 2.749 ( -1.040 1.434 0.272) 1.792 2.819 ( -0.691 -2.903 2.351) 3.799 2.876 ( 0.680 0.306 -0.026) 0.746 2.904 ( -0.099 -1.933 0.098) 1.938 3.038 ( -2.267 -0.683 -2.333) 3.324 3.078 ( 0.940 -1.348 -0.052) 1.644 3.109 ( 0.554 -1.443 -0.835) 1.757 3.291 ( -4.488 -1.289 1.218) 4.826 3.464 ( 0.967 -5.276 -0.177) 5.367 3.477 ( 1.669 -5.488 -0.446) 5.754 ======================= Grid point 417 (154/231) ======================= q-point: (-0.23 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -2.429 6.619 -0.579) 7.075 1.297 ( -0.818 1.679 -0.565) 1.951 1.459 ( 1.429 -1.570 1.650) 2.689 1.477 ( -2.485 3.274 1.054) 4.243 1.505 ( -1.582 2.818 0.891) 3.352 1.537 ( 0.901 -2.556 -1.928) 3.326 1.619 ( 1.429 -1.104 -1.201) 2.169 2.002 ( -4.085 8.427 1.975) 9.571 2.230 ( -1.394 0.825 -2.429) 2.920 2.639 ( 3.042 4.450 0.218) 5.394 2.645 ( -4.275 0.349 0.077) 4.290 2.750 ( -1.158 0.048 0.406) 1.228 2.808 ( 1.210 -3.405 2.000) 4.130 2.866 ( 0.443 -3.245 -0.480) 3.311 2.887 ( 0.997 -0.632 0.258) 1.208 3.013 ( 1.124 0.931 -1.182) 1.878 3.091 ( 0.469 0.590 0.498) 0.903 3.133 ( 1.561 -0.215 -2.210) 2.714 3.226 ( -1.694 -0.170 1.421) 2.217 3.453 ( 3.415 -5.045 -0.293) 6.099 3.456 ( 2.487 -5.230 -0.424) 5.807 ======================= Grid point 418 (155/231) ======================= q-point: (-0.15 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -0.292 3.990 -1.077) 4.143 1.301 ( -1.586 3.180 -0.426) 3.578 1.437 ( -0.364 -4.270 1.563) 4.562 1.455 ( -1.787 1.414 -0.869) 2.438 1.497 ( -0.034 -0.436 0.701) 0.826 1.562 ( -0.758 4.754 0.404) 4.830 1.611 ( -0.756 -2.115 -1.958) 2.979 1.980 ( -5.827 3.899 0.454) 7.026 2.191 ( -1.470 -0.994 -0.663) 1.894 2.590 ( -1.618 -0.355 -0.737) 1.813 2.715 ( -0.967 0.777 0.285) 1.273 2.733 ( 0.167 1.077 0.111) 1.096 2.810 ( 1.881 2.171 2.361) 3.718 2.867 ( 2.168 -2.635 -0.381) 3.433 2.896 ( 0.727 -1.009 0.497) 1.339 3.049 ( 0.215 0.348 -2.082) 2.122 3.093 ( 1.352 -1.296 0.884) 2.072 3.155 ( 1.468 1.603 -4.161) 4.695 3.259 ( 3.437 2.162 3.171) 5.152 3.461 ( 3.618 -3.242 -0.239) 4.864 3.479 ( 4.390 -3.819 -0.485) 5.839 ======================= Grid point 426 (156/231) ======================= q-point: ( 0.46 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 0.000 1.074 -3.896) 4.041 1.083 ( 0.000 -0.272 -0.206) 0.342 1.254 ( 0.000 0.761 -1.509) 1.690 1.288 ( -0.000 2.145 3.461) 4.072 1.469 ( -0.000 5.994 0.546) 6.018 1.494 ( 0.000 6.249 -2.740) 6.823 1.562 ( 0.000 -0.916 -1.085) 1.419 1.935 ( 0.000 -1.820 -3.697) 4.121 2.127 ( -0.000 12.325 2.183) 12.517 2.610 ( 0.000 -3.590 -1.783) 4.008 2.653 ( -0.000 5.164 2.072) 5.564 2.665 ( 0.000 -3.795 -1.638) 4.134 2.853 ( 0.000 -5.100 -2.476) 5.670 2.898 ( -0.000 -1.360 0.295) 1.392 2.937 ( 0.000 -0.834 -1.356) 1.592 3.091 ( 0.000 -1.504 -1.288) 1.980 3.117 ( -0.000 -0.804 0.026) 0.805 3.287 ( -0.000 -6.908 0.990) 6.979 3.410 ( -0.000 -6.151 0.095) 6.152 3.716 ( 0.000 -2.011 -0.199) 2.021 3.774 ( 0.000 -2.130 -0.304) 2.152 ======================= Grid point 427 (157/231) ======================= q-point: ( 0.54 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 3.768 -0.522 -1.004) 3.934 1.134 ( 5.312 -0.836 -1.321) 5.537 1.303 ( 4.681 0.855 -0.454) 4.780 1.305 ( 2.699 -0.927 -0.520) 2.901 1.507 ( -1.627 1.165 -0.813) 2.160 1.539 ( 0.439 4.558 -0.312) 4.590 1.557 ( -1.523 3.447 -0.299) 3.780 1.897 ( -0.597 -2.643 -1.716) 3.208 2.207 ( -2.970 7.393 0.833) 8.011 2.569 ( 0.068 -2.870 -1.761) 3.368 2.650 ( 2.031 -2.324 -0.868) 3.206 2.686 ( 0.383 1.001 0.389) 1.141 2.824 ( 2.017 -2.484 -2.723) 4.202 2.901 ( 0.050 0.371 3.590) 3.609 2.941 ( 0.514 0.496 -2.019) 2.141 3.042 ( -2.465 -2.015 -2.385) 3.978 3.129 ( 0.028 1.341 1.086) 1.725 3.230 ( 0.718 -6.412 0.561) 6.476 3.349 ( -0.087 -5.404 0.508) 5.428 3.671 ( -3.442 -1.246 0.598) 3.710 3.713 ( -4.236 -2.161 -0.554) 4.788 ======================= Grid point 428 (158/231) ======================= q-point: ( 0.62 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 4.268 -3.127 -2.010) 5.660 1.217 ( 4.466 1.044 -0.731) 4.644 1.358 ( 5.079 -0.927 -1.080) 5.274 1.444 ( 7.910 1.221 -0.210) 8.006 1.484 ( -0.893 0.382 -0.723) 1.210 1.547 ( -3.356 2.961 1.271) 4.653 1.582 ( -0.386 3.018 0.637) 3.109 1.886 ( 2.519 -0.804 -0.368) 2.670 2.191 ( -3.539 2.830 -0.715) 4.587 2.552 ( 0.668 -0.924 -1.384) 1.793 2.677 ( 2.841 -1.168 -0.440) 3.103 2.715 ( 1.808 0.540 0.323) 1.914 2.848 ( 2.027 0.338 -1.210) 2.385 2.888 ( -2.340 -0.081 1.813) 2.961 2.955 ( -1.454 -0.275 0.168) 1.489 2.987 ( 1.110 -1.269 -1.850) 2.504 3.124 ( -2.759 2.088 0.038) 3.460 3.171 ( -0.888 -5.824 0.325) 5.900 3.314 ( 1.891 -4.911 0.358) 5.275 3.576 ( -5.876 -1.279 0.874) 6.077 3.595 ( -6.268 -1.836 -0.513) 6.552 ======================= Grid point 429 (159/231) ======================= q-point: ( 0.69 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 3.742 -0.249 -1.151) 3.923 1.301 ( 4.328 -0.435 -0.085) 4.350 1.431 ( 2.299 1.525 -0.816) 2.877 1.464 ( -4.028 2.794 0.410) 4.919 1.516 ( 0.787 -0.639 0.798) 1.290 1.550 ( 1.594 0.087 -2.010) 2.567 1.596 ( 0.189 0.170 1.690) 1.709 1.978 ( 6.352 2.725 -0.639) 6.941 2.188 ( 0.626 2.924 0.475) 3.028 2.570 ( 0.928 2.013 -0.518) 2.277 2.705 ( 1.220 -0.926 -0.239) 1.550 2.750 ( 1.643 0.188 0.231) 1.670 2.839 ( -2.387 -2.034 -0.923) 3.269 2.872 ( -1.306 0.094 0.770) 1.519 2.905 ( -1.081 -0.234 -0.034) 1.107 3.018 ( 1.827 -1.894 0.726) 2.730 3.086 ( -1.599 -0.608 -1.493) 2.270 3.105 ( -1.729 -0.190 0.276) 1.761 3.297 ( 1.066 -4.514 0.159) 4.641 3.462 ( -5.102 -1.517 0.276) 5.330 3.473 ( -5.256 -1.702 0.113) 5.526 ======================= Grid point 430 (160/231) ======================= q-point: ( 0.77 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 2.733 4.177 -0.143) 4.994 1.333 ( -0.830 -0.464 -0.347) 1.012 1.388 ( -1.302 -2.590 0.396) 2.926 1.510 ( 1.967 3.512 0.053) 4.026 1.525 ( -0.118 -0.852 0.458) 0.975 1.546 ( -0.503 0.562 -0.579) 0.951 1.588 ( -0.293 -1.628 -0.071) 1.656 2.120 ( 3.342 6.695 -0.117) 7.484 2.234 ( 0.500 -0.133 0.171) 0.545 2.626 ( 2.278 3.945 -0.095) 4.557 2.698 ( -0.662 -1.448 -0.199) 1.604 2.757 ( -2.380 -3.131 0.235) 3.940 2.771 ( 0.131 0.150 0.064) 0.209 2.848 ( -2.316 -2.808 1.640) 3.992 2.863 ( 0.253 -0.732 -1.507) 1.694 3.015 ( 0.104 -0.011 0.016) 0.106 3.090 ( 0.527 0.996 -0.243) 1.153 3.117 ( 1.646 2.213 -0.305) 2.775 3.253 ( -1.869 -2.813 0.325) 3.393 3.386 ( -1.123 -2.045 -0.009) 2.333 3.398 ( -1.050 -1.966 -0.052) 2.230 ======================= Grid point 431 (161/231) ======================= q-point: (-0.15 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -3.774 0.787 -0.842) 3.946 1.351 ( -0.037 -2.445 -0.462) 2.488 1.360 ( 3.207 1.630 1.175) 3.784 1.508 ( -2.182 -0.189 0.207) 2.200 1.510 ( -1.610 0.158 0.262) 1.639 1.574 ( 1.034 -2.811 -1.236) 3.240 1.591 ( 1.879 3.134 0.108) 3.655 2.129 ( -7.276 -1.925 -0.479) 7.542 2.220 ( -0.545 2.089 0.695) 2.268 2.635 ( -3.963 0.005 -0.515) 3.996 2.715 ( 2.370 1.096 -0.901) 2.762 2.746 ( 3.062 -2.521 0.409) 3.988 2.754 ( -0.833 0.127 1.253) 1.510 2.815 ( 1.465 0.068 0.584) 1.579 2.885 ( 1.170 0.359 0.133) 1.231 3.020 ( 1.095 -0.017 -0.679) 1.288 3.102 ( -0.513 -0.425 -0.221) 0.702 3.153 ( -0.849 2.483 -2.734) 3.790 3.219 ( 1.937 -1.727 2.450) 3.569 3.387 ( 2.410 0.152 -0.077) 2.416 3.401 ( 2.425 0.269 -0.141) 2.444 ======================= Grid point 440 (162/231) ======================= q-point: ( 0.54 0.54 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -0.000 -1.604 0.372) 1.647 1.052 ( 0.000 -2.269 -0.499) 2.323 1.252 ( 0.000 0.111 -0.320) 0.339 1.278 ( 0.000 -0.354 -3.187) 3.207 1.486 ( 0.000 -4.150 -1.714) 4.490 1.583 ( 0.000 4.558 -0.097) 4.559 1.636 ( -0.000 5.883 0.728) 5.928 1.871 ( 0.000 -2.760 -1.533) 3.157 2.291 ( -0.000 2.131 1.511) 2.613 2.525 ( 0.000 -3.870 -1.862) 4.295 2.588 ( 0.000 -3.238 -0.930) 3.369 2.702 ( -0.000 -0.124 1.178) 1.185 2.770 ( 0.000 -0.600 -2.097) 2.181 2.920 ( -0.000 2.716 0.492) 2.760 2.948 ( -0.000 0.624 0.041) 0.626 3.062 ( 0.000 -0.985 -2.376) 2.572 3.121 ( -0.000 0.772 0.315) 0.834 3.187 ( -0.000 -2.262 1.651) 2.800 3.307 ( -0.000 -3.958 0.679) 4.016 3.692 ( -0.000 -0.973 0.856) 1.296 3.727 ( 0.000 -2.278 -0.481) 2.329 ======================= Grid point 441 (163/231) ======================= q-point: ( 0.62 0.54 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 2.505 -3.245 -1.825) 4.487 1.110 ( 7.231 -1.609 0.101) 7.408 1.281 ( 2.349 0.622 -2.769) 3.684 1.327 ( 5.790 1.154 1.661) 6.133 1.451 ( 0.970 -3.154 -0.779) 3.390 1.617 ( -0.423 2.881 -0.438) 2.945 1.661 ( -3.013 3.837 1.169) 5.017 1.850 ( 0.574 -0.852 -1.452) 1.779 2.258 ( -3.098 -1.795 1.079) 3.740 2.508 ( 2.183 -2.036 -1.988) 3.586 2.585 ( 3.001 -2.441 -0.581) 3.911 2.711 ( 0.897 0.359 1.427) 1.723 2.799 ( 2.845 0.347 -0.543) 2.918 2.938 ( -1.353 0.748 1.299) 2.020 2.953 ( 0.446 1.418 -0.763) 1.671 3.007 ( -3.571 -0.277 -2.635) 4.447 3.147 ( 0.312 -0.979 -0.632) 1.206 3.175 ( -0.595 1.517 1.925) 2.522 3.262 ( -0.976 -3.463 0.610) 3.650 3.653 ( -3.567 -0.873 0.864) 3.773 3.670 ( -3.902 -1.746 -0.246) 4.282 ======================= Grid point 442 (164/231) ======================= q-point: ( 0.69 0.54 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 5.493 -1.430 -1.321) 5.828 1.227 ( 5.474 0.099 1.189) 5.602 1.361 ( 6.211 1.697 -2.729) 6.993 1.435 ( 4.670 -1.407 0.065) 4.878 1.472 ( 3.819 -0.540 0.887) 3.958 1.609 ( -4.681 0.492 0.409) 4.725 1.627 ( -2.135 2.249 0.780) 3.197 1.887 ( 4.252 0.996 -1.759) 4.709 2.201 ( -0.863 -1.019 1.712) 2.171 2.554 ( 3.596 1.325 -1.236) 4.027 2.625 ( 3.652 -2.147 -0.451) 4.261 2.735 ( 1.199 0.072 0.858) 1.476 2.852 ( 2.547 -0.097 0.122) 2.552 2.899 ( -3.818 0.320 -0.568) 3.873 2.941 ( -2.788 -0.519 -2.108) 3.534 2.978 ( 0.859 0.786 1.696) 2.057 3.113 ( -2.366 -0.113 -0.222) 2.379 3.162 ( -3.317 0.811 0.207) 3.421 3.231 ( 1.473 -2.937 0.320) 3.301 3.559 ( -6.190 -0.383 0.223) 6.205 3.569 ( -5.960 -0.921 0.529) 6.054 ======================= Grid point 443 (165/231) ======================= q-point: (-0.23 -0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 6.614 1.031 0.500) 6.712 1.295 ( 2.613 0.065 0.279) 2.629 1.467 ( -2.432 0.862 -1.359) 2.916 1.482 ( 3.828 -0.811 -0.936) 4.023 1.512 ( 2.706 -0.114 -1.464) 3.079 1.525 ( -1.826 -0.386 2.258) 2.930 1.612 ( -1.802 0.604 1.282) 2.292 2.013 ( 9.103 0.619 -1.836) 9.307 2.217 ( 1.783 -0.720 2.187) 2.912 2.640 ( 1.586 4.263 -0.178) 4.552 2.645 ( 2.732 -3.122 -0.002) 4.149 2.753 ( 1.016 -0.807 -0.521) 1.398 2.818 ( -4.111 -0.666 -1.515) 4.432 2.864 ( -2.203 -1.261 0.239) 2.550 2.889 ( -1.830 0.772 -0.385) 2.023 3.006 ( 0.783 1.181 1.404) 1.995 3.094 ( 0.242 0.809 -0.589) 1.030 3.122 ( -1.279 0.618 1.685) 2.204 3.233 ( 0.813 -1.072 -0.954) 1.650 3.451 ( -5.945 0.404 0.205) 5.962 3.454 ( -5.766 -0.441 0.386) 5.795 ======================= Grid point 454 (166/231) ======================= q-point: ( 0.62 0.62 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 0.000 -2.998 -2.082) 3.650 1.007 ( 0.000 -1.307 -2.352) 2.690 1.263 ( -0.000 0.503 2.518) 2.568 1.300 ( 0.000 2.246 -0.101) 2.248 1.413 ( -0.000 -1.551 0.572) 1.653 1.642 ( 0.000 1.466 -1.111) 1.839 1.717 ( -0.000 1.464 0.463) 1.536 1.844 ( 0.000 1.024 -1.066) 1.479 2.257 ( -0.000 -3.934 1.085) 4.081 2.459 ( 0.000 -1.487 -2.527) 2.932 2.542 ( 0.000 -0.848 -0.039) 0.848 2.699 ( -0.000 -0.479 3.203) 3.238 2.785 ( 0.000 1.403 -1.214) 1.855 2.946 ( 0.000 -0.533 -0.059) 0.536 2.969 ( 0.000 1.439 -0.148) 1.447 3.049 ( 0.000 1.212 -3.223) 3.443 3.134 ( 0.000 0.239 -0.554) 0.603 3.193 ( -0.000 0.254 2.901) 2.912 3.254 ( -0.000 -1.443 0.123) 1.448 3.680 ( -0.000 -0.383 0.853) 0.934 3.688 ( -0.000 -1.277 0.025) 1.277 ======================= Grid point 455 (167/231) ======================= q-point: (-0.31 -0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 3.305 0.414 -2.425) 4.120 1.084 ( 8.905 -0.277 -1.209) 8.991 1.300 ( 2.404 1.197 0.198) 2.693 1.345 ( 3.553 -0.137 2.167) 4.163 1.430 ( 1.564 1.159 1.756) 2.622 1.640 ( -0.758 -0.231 -1.382) 1.593 1.699 ( -2.530 -0.367 0.527) 2.611 1.862 ( 0.434 1.980 -0.731) 2.154 2.209 ( -1.353 -1.979 0.743) 2.509 2.484 ( 3.748 0.625 -2.166) 4.374 2.565 ( 2.517 0.576 0.211) 2.591 2.713 ( 0.997 -0.488 2.614) 2.840 2.809 ( 1.895 0.123 -0.544) 1.975 2.936 ( -1.068 -0.055 0.121) 1.077 2.966 ( -1.189 -0.492 -1.738) 2.162 3.026 ( -2.569 2.353 0.001) 3.484 3.142 ( -0.225 0.245 -1.878) 1.907 3.190 ( 0.404 -1.603 1.932) 2.543 3.224 ( -2.637 0.031 0.416) 2.670 3.646 ( -3.518 -0.654 0.460) 3.608 3.650 ( -3.736 0.651 0.585) 3.837 ======================= Grid point 456 (168/231) ======================= q-point: (-0.23 -0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 6.207 3.086 -0.580) 6.956 1.241 ( 5.760 0.661 2.217) 6.207 1.374 ( 6.093 0.410 -2.462) 6.584 1.424 ( 5.352 -0.285 0.854) 5.427 1.469 ( 1.166 0.486 -0.388) 1.321 1.590 ( -4.032 -1.848 0.081) 4.436 1.647 ( -1.875 -1.003 1.236) 2.459 1.902 ( 3.113 0.726 -0.863) 3.311 2.193 ( 0.269 -0.073 1.363) 1.391 2.568 ( 3.940 0.291 -0.636) 4.002 2.633 ( 3.402 3.110 -0.016) 4.609 2.723 ( 0.828 -1.135 0.466) 1.480 2.832 ( 0.512 -1.582 -0.848) 1.867 2.890 ( -2.104 -0.949 -1.346) 2.672 2.932 ( -2.103 0.609 -0.917) 2.374 3.032 ( -0.497 2.558 3.435) 4.311 3.115 ( -2.073 0.396 -0.351) 2.140 3.171 ( -3.002 -0.344 1.079) 3.208 3.207 ( 1.774 1.389 -1.533) 2.725 3.558 ( -5.937 -0.151 0.274) 5.945 3.573 ( -6.292 1.354 0.702) 6.475 ======================= Grid point 468 (169/231) ======================= q-point: (-0.31 -0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 0.000 2.515 -3.141) 4.024 0.994 ( 0.000 1.168 -2.827) 3.059 1.285 ( -0.000 0.462 3.729) 3.758 1.331 ( -0.000 0.799 2.272) 2.408 1.443 ( -0.000 2.551 1.561) 2.991 1.633 ( 0.000 -1.747 -1.738) 2.464 1.709 ( -0.000 -1.791 0.276) 1.812 1.884 ( -0.000 2.192 1.225) 2.511 2.210 ( 0.000 0.209 -1.725) 1.738 2.459 ( 0.000 2.481 -2.459) 3.493 2.555 ( -0.000 1.956 0.738) 2.091 2.709 ( -0.000 -0.020 3.810) 3.810 2.789 ( 0.000 -0.546 -0.862) 1.020 2.949 ( 0.000 0.630 -0.241) 0.674 2.966 ( 0.000 -1.671 -0.323) 1.702 3.073 ( 0.000 1.857 -2.034) 2.754 3.125 ( 0.000 -0.654 -1.149) 1.322 3.181 ( -0.000 -1.146 2.372) 2.634 3.251 ( -0.000 0.365 0.163) 0.400 3.675 ( -0.000 -0.034 0.443) 0.444 3.697 ( -0.000 1.642 0.744) 1.803 ======================= Grid point 469 (170/231) ======================= q-point: (-0.23 -0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 4.041 3.846 -1.782) 5.856 1.101 ( 9.365 2.600 -0.961) 9.767 1.325 ( 2.183 0.610 2.116) 3.100 1.346 ( 1.824 -1.074 1.842) 2.806 1.470 ( 0.165 1.933 -0.851) 2.118 1.604 ( -0.369 -2.746 -1.048) 2.963 1.666 ( -2.294 -2.907 1.390) 3.955 1.902 ( -0.648 1.928 1.895) 2.780 2.208 ( -0.833 1.316 -1.869) 2.433 2.522 ( 3.215 3.627 -1.488) 5.071 2.606 ( 2.666 3.151 0.717) 4.189 2.710 ( -0.252 -1.056 1.722) 2.036 2.798 ( 1.586 -0.558 -0.389) 1.726 2.912 ( -2.529 -2.570 -0.917) 3.721 2.957 ( -0.169 0.574 -1.183) 1.326 3.072 ( -1.162 1.215 2.657) 3.145 3.136 ( 1.107 -0.180 -2.040) 2.328 3.179 ( -0.545 0.589 2.307) 2.443 3.240 ( -1.595 2.381 -0.841) 2.987 3.646 ( -3.640 0.455 0.312) 3.681 3.683 ( -3.895 2.003 0.781) 4.449 ======================= Grid point 482 (171/231) ======================= q-point: (-0.23 -0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 0.000 3.081 -1.572) 3.459 1.035 ( -0.000 5.351 0.482) 5.373 1.301 ( -0.000 -0.314 2.619) 2.638 1.327 ( -0.000 -3.047 0.386) 3.071 1.491 ( 0.000 2.619 -2.282) 3.474 1.563 ( 0.000 -4.494 -1.466) 4.727 1.659 ( -0.000 -3.565 2.096) 4.135 1.946 ( -0.000 3.409 3.372) 4.795 2.219 ( 0.000 -0.756 -2.887) 2.985 2.534 ( 0.000 5.307 -1.410) 5.491 2.619 ( -0.000 3.770 0.954) 3.889 2.707 ( -0.000 -1.990 1.562) 2.530 2.778 ( 0.000 0.900 -1.256) 1.546 2.909 ( 0.000 -3.205 -0.210) 3.211 2.955 ( 0.000 0.554 -0.966) 1.113 3.097 ( -0.000 0.392 0.823) 0.912 3.112 ( 0.000 0.037 -0.238) 0.241 3.212 ( -0.000 3.176 3.310) 4.588 3.281 ( 0.000 3.892 -1.357) 4.121 3.687 ( -0.000 1.007 0.506) 1.127 3.740 ( -0.000 2.101 0.477) 2.155 ======================= Grid point 553 (172/231) ======================= q-point: ( 0.23 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.262 ( -0.000 0.000 24.472) 24.472 0.276 ( -0.000 0.000 14.822) 14.822 0.276 ( -0.000 0.000 14.822) 14.822 0.891 ( 0.000 -0.000 -7.863) 7.863 0.891 ( 0.000 -0.000 -7.863) 7.863 1.303 ( 0.000 -0.000 -13.125) 13.125 1.468 ( -0.000 0.000 0.596) 0.596 1.468 ( -0.000 0.000 0.596) 0.596 2.104 ( -0.000 0.000 14.040) 14.040 2.104 ( -0.000 0.000 14.040) 14.040 2.222 ( 0.000 -0.000 -2.449) 2.449 2.796 ( 0.000 -0.000 -5.330) 5.330 2.796 ( 0.000 -0.000 -5.330) 5.330 3.137 ( 0.000 -0.000 -3.448) 3.448 3.137 ( 0.000 -0.000 -3.448) 3.448 3.295 ( 0.000 -0.000 -0.102) 0.102 3.295 ( 0.000 -0.000 -0.102) 0.102 3.324 ( 0.000 -0.000 -3.249) 3.249 3.605 ( 0.000 -0.000 -6.153) 6.153 4.046 ( 0.000 -0.000 -2.796) 2.796 4.253 ( 0.000 -0.000 -1.074) 1.074 ======================= Grid point 554 (173/231) ======================= q-point: ( 0.31 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( 10.610 6.126 13.590) 18.297 0.483 ( 13.145 7.589 7.143) 16.775 0.696 ( 20.283 11.710 7.753) 24.670 0.939 ( 4.647 2.683 -6.681) 8.569 0.953 ( 6.192 3.575 -8.266) 10.929 1.293 ( 2.720 1.570 -10.127) 10.603 1.457 ( -1.053 -0.608 0.503) 1.316 1.492 ( 1.882 1.087 -0.639) 2.266 2.184 ( -2.560 -1.478 -4.118) 5.070 2.185 ( 4.196 2.422 13.713) 14.543 2.656 ( 15.017 8.670 -10.745) 20.400 2.756 ( -1.791 -1.034 -5.610) 5.979 2.850 ( 7.008 4.046 -5.430) 9.745 3.101 ( -1.064 -0.614 -3.778) 3.973 3.112 ( -1.876 -1.083 -3.206) 3.869 3.279 ( -1.400 -0.808 -0.304) 1.645 3.297 ( -0.269 -0.155 -1.331) 1.367 3.361 ( 1.881 1.086 -2.869) 3.598 3.561 ( -2.123 -1.226 -2.704) 3.650 3.991 ( -4.170 -2.408 -1.184) 4.958 4.188 ( -4.913 -2.836 -2.475) 6.189 ======================= Grid point 555 (174/231) ======================= q-point: ( 0.38 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 10.388 5.998 5.971) 13.399 0.794 ( 11.972 6.912 2.157) 13.991 1.064 ( 6.372 3.679 -3.706) 8.238 1.073 ( 8.828 5.097 -7.327) 12.553 1.165 ( 14.113 8.148 1.196) 16.340 1.419 ( 8.658 4.999 0.043) 9.998 1.423 ( -1.714 -0.990 0.224) 1.992 1.546 ( 3.368 1.945 -2.814) 4.801 2.101 ( -3.263 -1.884 -5.590) 6.742 2.334 ( 6.232 3.598 10.801) 12.978 2.705 ( -1.561 -0.901 -4.423) 4.776 2.747 ( 0.154 0.089 -3.193) 3.198 2.952 ( -1.051 -0.607 -0.498) 1.312 3.040 ( -3.716 -2.145 -2.402) 4.917 3.104 ( 0.571 0.330 -4.210) 4.261 3.233 ( -2.316 -1.337 -0.811) 2.794 3.250 ( -3.448 -1.991 -3.725) 5.452 3.408 ( 2.875 1.660 -0.651) 3.383 3.530 ( -0.294 -0.170 -1.109) 1.160 3.863 ( -6.292 -3.633 0.034) 7.266 4.038 ( -7.081 -4.088 -3.090) 8.741 ======================= Grid point 556 (175/231) ======================= q-point: ( 0.46 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 7.391 4.267 -0.361) 8.542 1.019 ( 6.899 3.983 -0.986) 8.027 1.188 ( 3.687 2.128 0.099) 4.258 1.251 ( 7.521 4.342 -1.873) 8.884 1.383 ( 4.311 2.489 -1.389) 5.168 1.401 ( 0.743 0.429 -0.389) 0.942 1.539 ( 0.903 0.521 0.012) 1.043 1.744 ( 11.851 6.842 1.630) 13.781 2.053 ( 1.229 0.709 -5.868) 6.037 2.495 ( 5.842 3.373 6.437) 9.324 2.673 ( -0.733 -0.423 -2.756) 2.883 2.720 ( -1.878 -1.084 -1.654) 2.727 2.872 ( -4.969 -2.869 0.876) 5.804 2.943 ( -3.884 -2.242 -0.623) 4.528 3.057 ( -3.275 -1.891 -2.516) 4.542 3.158 ( -3.265 -1.885 -3.801) 5.353 3.176 ( -2.227 -1.285 -1.283) 2.873 3.423 ( -2.612 -1.508 1.277) 3.275 3.518 ( -1.813 -1.047 -2.244) 3.069 3.740 ( -3.131 -1.807 0.469) 3.645 3.877 ( -5.784 -3.339 -1.930) 6.952 ======================= Grid point 557 (176/231) ======================= q-point: ( 0.54 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 5.357 3.093 -4.333) 7.553 1.087 ( -0.890 -0.514 -0.490) 1.139 1.237 ( 1.845 1.065 -0.472) 2.182 1.296 ( -4.608 -2.660 2.830) 6.026 1.466 ( 3.319 1.916 0.153) 3.836 1.473 ( 4.470 2.581 0.283) 5.169 1.556 ( 2.498 1.442 -1.373) 3.195 1.912 ( 1.907 1.101 -1.784) 2.834 2.166 ( 7.386 4.264 -0.874) 8.574 2.582 ( -1.069 -0.617 0.672) 1.405 2.660 ( -2.974 -1.717 -1.408) 3.711 2.667 ( 1.915 1.106 0.404) 2.248 2.763 ( -3.557 -2.054 1.415) 4.345 2.891 ( -0.173 -0.100 0.709) 0.737 2.984 ( -2.364 -1.365 -0.620) 2.799 3.095 ( -1.630 -0.941 -3.195) 3.708 3.134 ( -1.120 -0.647 -0.918) 1.586 3.313 ( -5.760 -3.326 -0.715) 6.690 3.421 ( -5.201 -3.003 -0.480) 6.025 3.719 ( 0.132 0.076 -0.788) 0.802 3.774 ( -3.163 -1.826 0.016) 3.653 ======================= Grid point 558 (177/231) ======================= q-point: ( 0.62 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -3.182 -1.837 1.657) 4.030 1.060 ( -4.512 -2.605 -1.836) 5.523 1.233 ( 2.158 1.246 0.771) 2.609 1.277 ( 1.635 0.944 -2.801) 3.378 1.458 ( -2.231 -1.288 1.366) 2.916 1.569 ( 3.318 1.916 1.352) 4.063 1.666 ( 4.949 2.858 -2.090) 6.085 1.879 ( -2.998 -1.731 -2.549) 4.299 2.281 ( 1.511 0.872 2.480) 3.032 2.500 ( -4.204 -2.427 0.741) 4.911 2.590 ( -2.545 -1.469 -1.218) 3.181 2.723 ( 1.764 1.018 -1.031) 2.282 2.737 ( 0.850 0.491 0.902) 1.333 2.922 ( 2.123 1.226 0.315) 2.472 2.951 ( -0.622 -0.359 0.782) 1.061 3.050 ( -2.217 -1.280 -1.736) 3.093 3.121 ( -0.032 -0.019 0.324) 0.326 3.222 ( -0.967 -0.558 -1.876) 2.183 3.311 ( -3.857 -2.227 0.305) 4.465 3.712 ( -0.847 -0.489 -1.473) 1.768 3.718 ( -1.654 -0.955 0.701) 2.034 ======================= Grid point 559 (178/231) ======================= q-point: ( 0.69 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -3.680 -2.124 2.971) 5.185 0.975 ( -1.437 -0.830 2.791) 3.247 1.300 ( 0.882 0.509 -3.752) 3.888 1.312 ( 2.989 1.726 -2.379) 4.192 1.420 ( -0.332 -0.192 -0.062) 0.388 1.624 ( 1.052 0.607 1.948) 2.296 1.730 ( 0.594 0.343 -2.044) 2.157 1.836 ( 0.612 0.353 0.487) 0.858 2.257 ( -2.928 -1.690 1.002) 3.526 2.430 ( -1.559 -0.900 2.218) 2.856 2.547 ( -0.720 -0.415 -0.899) 1.224 2.740 ( 0.277 0.160 -3.704) 3.717 2.771 ( 1.247 0.720 1.046) 1.780 2.941 ( -0.403 -0.232 1.012) 1.114 2.966 ( 1.144 0.661 0.414) 1.384 3.024 ( 0.548 0.317 0.906) 1.105 3.123 ( -0.096 -0.056 1.188) 1.194 3.224 ( -0.291 -0.168 -2.321) 2.346 3.253 ( -0.749 -0.432 0.294) 0.913 3.687 ( -0.421 -0.243 -0.218) 0.532 3.693 ( -0.865 -0.499 -0.950) 1.378 ======================= Grid point 560 (179/231) ======================= q-point: (-0.23 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 2.589 1.495 3.055) 4.274 0.978 ( 1.190 0.687 2.802) 3.121 1.306 ( 0.292 0.169 -3.726) 3.741 1.344 ( 0.803 0.463 -2.440) 2.610 1.446 ( 1.599 0.923 0.362) 1.882 1.623 ( -1.482 -0.856 1.996) 2.629 1.714 ( -1.336 -0.771 -1.517) 2.163 1.887 ( 2.689 1.553 0.331) 3.123 2.204 ( -0.609 -0.351 0.471) 0.846 2.444 ( 2.321 1.340 2.581) 3.720 2.559 ( 1.784 1.030 -0.635) 2.155 2.731 ( -0.321 -0.186 -4.016) 4.033 2.784 ( -0.354 -0.204 1.145) 1.216 2.946 ( 0.399 0.230 0.858) 0.973 2.964 ( -1.426 -0.823 0.360) 1.685 3.061 ( 2.027 1.170 2.147) 3.176 3.118 ( -0.480 -0.277 1.173) 1.297 3.195 ( -0.668 -0.385 -2.520) 2.636 3.253 ( -0.029 -0.017 -0.322) 0.324 3.678 ( -0.072 -0.042 -0.595) 0.601 3.701 ( 1.435 0.829 -0.709) 1.803 ======================= Grid point 567 (180/231) ======================= q-point: ( 0.31 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( -0.000 15.412 13.517) 20.500 0.554 ( -0.000 15.987 7.280) 17.566 0.646 ( -0.000 20.248 7.881) 21.727 0.898 ( 0.000 4.037 -7.571) 8.580 0.964 ( 0.000 8.495 -7.654) 11.435 1.259 ( 0.000 2.129 -10.958) 11.163 1.457 ( -0.000 -1.169 0.455) 1.254 1.493 ( 0.000 2.188 -0.494) 2.243 2.179 ( 0.000 -2.657 -4.379) 5.122 2.195 ( -0.000 4.081 13.552) 14.153 2.641 ( 0.000 18.876 -6.431) 19.942 2.768 ( 0.000 -1.188 -5.368) 5.497 2.798 ( 0.000 3.981 -5.393) 6.703 3.098 ( 0.000 -2.220 -3.512) 4.155 3.102 ( 0.000 -0.982 -3.731) 3.858 3.277 ( 0.000 -1.816 -0.160) 1.823 3.303 ( 0.000 0.774 -0.769) 1.091 3.352 ( 0.000 0.588 -2.052) 2.134 3.577 ( 0.000 0.555 -4.157) 4.194 3.994 ( 0.000 -3.982 -1.072) 4.124 4.178 ( 0.000 -6.331 -3.600) 7.283 ======================= Grid point 568 (181/231) ======================= q-point: ( 0.38 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 3.061 13.753 10.257) 17.427 0.777 ( 4.743 16.078 2.977) 17.025 0.946 ( 9.007 7.545 -5.022) 12.778 1.012 ( 7.556 8.166 -4.195) 11.890 1.079 ( 4.971 10.521 -2.366) 11.874 1.335 ( 5.579 6.638 -3.312) 9.281 1.442 ( -0.461 -0.854 0.283) 1.011 1.524 ( 1.131 2.545 -1.783) 3.307 2.117 ( -2.400 -3.176 -5.346) 6.665 2.306 ( 3.832 4.851 11.613) 13.156 2.708 ( -2.040 -1.186 -4.695) 5.255 2.746 ( 0.550 1.548 -2.733) 3.189 2.922 ( 4.311 2.053 -0.265) 4.782 3.060 ( -1.694 -2.499 -3.541) 4.653 3.096 ( 1.167 1.531 -4.770) 5.143 3.232 ( -1.958 -2.827 -0.233) 3.447 3.280 ( -2.089 -2.887 -2.392) 4.292 3.374 ( 2.496 1.939 -1.620) 3.551 3.558 ( -2.075 0.966 -1.268) 2.616 3.911 ( -3.975 -4.921 -0.011) 6.326 4.062 ( -3.588 -8.030 -4.262) 9.773 ======================= Grid point 569 (182/231) ======================= q-point: ( 0.46 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 3.338 9.998 4.031) 11.285 0.994 ( 4.645 10.252 -0.413) 11.263 1.152 ( 8.248 6.751 -1.735) 10.799 1.169 ( 4.514 6.334 -4.210) 8.844 1.289 ( 6.184 2.265 -1.552) 6.766 1.436 ( 0.028 3.199 0.435) 3.229 1.509 ( 3.250 1.305 1.160) 3.689 1.633 ( 8.938 9.084 -0.488) 12.753 2.036 ( -1.516 -2.413 -5.506) 6.200 2.447 ( 4.772 4.003 7.829) 10.004 2.658 ( -0.699 -1.929 -3.218) 3.816 2.746 ( -1.042 0.304 -0.982) 1.464 2.932 ( -2.360 -1.113 2.071) 3.331 2.982 ( -3.182 -2.387 -2.673) 4.793 3.091 ( -2.083 -1.194 -5.615) 6.107 3.154 ( -2.877 -4.003 -0.627) 4.969 3.205 ( -1.867 -2.746 -1.502) 3.644 3.439 ( 1.090 1.119 0.079) 1.564 3.528 ( -1.268 -0.406 -1.095) 1.724 3.777 ( -4.988 -4.881 1.239) 7.088 3.902 ( -4.125 -7.673 -3.655) 9.448 ======================= Grid point 570 (183/231) ======================= q-point: ( 0.54 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 2.659 7.294 -0.730) 7.798 1.123 ( -0.256 5.380 -0.817) 5.448 1.255 ( -0.066 3.953 1.131) 4.112 1.316 ( 4.094 2.473 -0.427) 4.801 1.399 ( 6.050 3.036 -1.756) 6.993 1.461 ( -1.084 2.713 -0.526) 2.969 1.532 ( 1.260 -0.813 0.348) 1.539 1.871 ( 5.322 4.635 0.635) 7.086 2.050 ( 6.893 0.707 -3.467) 7.748 2.566 ( 3.430 1.994 3.593) 5.353 2.627 ( -0.145 -2.230 -1.104) 2.492 2.723 ( -2.021 1.083 -0.886) 2.458 2.838 ( -5.776 -1.190 1.182) 6.015 2.924 ( -2.443 0.469 0.714) 2.588 3.019 ( -2.335 -1.251 -5.240) 5.872 3.068 ( -1.741 -4.225 -0.047) 4.570 3.155 ( -1.049 -1.567 -1.214) 2.243 3.386 ( -5.608 -2.268 0.126) 6.051 3.474 ( -4.179 -2.653 -1.466) 5.162 3.692 ( 0.326 -3.299 0.626) 3.373 3.775 ( -1.835 -5.975 -1.343) 6.393 ======================= Grid point 571 (184/231) ======================= q-point: ( 0.62 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -3.804 1.360 -1.684) 4.376 1.115 ( 0.077 4.489 -0.506) 4.518 1.284 ( -5.817 1.236 1.752) 6.200 1.307 ( -0.809 5.830 -1.060) 5.980 1.474 ( 0.514 -1.028 2.234) 2.512 1.532 ( 3.588 2.629 0.572) 4.485 1.586 ( 5.425 1.719 -2.388) 6.171 1.900 ( -1.646 -1.034 -2.173) 2.916 2.205 ( 7.308 -0.420 1.035) 7.393 2.552 ( -3.120 -1.410 -0.014) 3.424 2.643 ( -1.978 0.892 -0.145) 2.174 2.687 ( -0.141 0.769 0.049) 0.783 2.783 ( -1.471 2.239 1.386) 3.016 2.909 ( 0.067 0.725 1.505) 1.672 2.973 ( -2.045 0.525 -1.949) 2.874 3.018 ( 0.841 -3.946 -1.590) 4.337 3.142 ( 0.419 0.280 -0.380) 0.631 3.247 ( -5.516 -3.002 -1.053) 6.368 3.357 ( -4.688 -2.948 -0.347) 5.549 3.684 ( 1.500 -3.176 -0.924) 3.632 3.705 ( -0.169 -5.007 0.363) 5.023 ======================= Grid point 572 (185/231) ======================= q-point: ( 0.69 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -4.870 0.253 1.654) 5.149 1.110 ( -6.648 5.987 0.319) 8.952 1.263 ( 1.447 2.090 0.120) 2.545 1.347 ( -1.308 5.563 -2.005) 6.057 1.443 ( -2.050 -0.168 0.801) 2.207 1.609 ( 2.125 1.348 1.017) 2.714 1.680 ( 4.350 -0.771 -2.079) 4.883 1.844 ( -1.835 -0.522 -0.470) 1.965 2.258 ( 0.803 -2.941 1.045) 3.223 2.489 ( -3.526 1.110 1.317) 3.924 2.585 ( -3.422 1.214 -0.584) 3.678 2.724 ( 1.295 0.758 -0.886) 1.742 2.794 ( -0.950 3.169 0.147) 3.312 2.934 ( 1.647 -0.889 1.373) 2.322 2.952 ( -0.335 -0.233 0.930) 1.015 2.999 ( 0.897 -1.661 -1.967) 2.726 3.139 ( -1.297 0.042 1.012) 1.645 3.197 ( 2.174 -0.995 -1.882) 3.043 3.265 ( -2.757 -2.462 0.139) 3.699 3.661 ( 0.778 -4.026 -0.325) 4.113 3.671 ( 0.900 -3.676 -0.616) 3.835 ======================= Grid point 573 (186/231) ======================= q-point: (-0.23 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -1.504 3.529 2.583) 4.625 1.075 ( -5.259 8.282 1.930) 9.998 1.306 ( 0.879 1.774 -1.852) 2.711 1.358 ( -1.775 3.017 -2.211) 4.141 1.437 ( 0.395 1.727 -0.512) 1.844 1.633 ( -0.009 -0.568 1.283) 1.403 1.703 ( 0.695 -2.280 -1.096) 2.623 1.856 ( 2.023 1.292 1.250) 2.706 2.213 ( -1.564 -1.904 -0.942) 2.638 2.471 ( -1.435 3.790 2.361) 4.691 2.567 ( -0.622 2.419 -0.374) 2.525 2.728 ( -0.525 0.062 -2.691) 2.742 2.807 ( -0.987 1.942 0.282) 2.197 2.937 ( 0.484 -0.965 -0.007) 1.080 2.954 ( 0.599 -1.948 2.602) 3.306 3.028 ( 2.964 0.328 -0.723) 3.069 3.131 ( -0.068 -0.147 1.991) 1.998 3.200 ( -1.468 -1.055 -1.559) 2.387 3.227 ( 1.495 -2.130 -0.641) 2.680 3.649 ( 1.291 -3.401 -0.476) 3.669 3.654 ( 2.376 -2.892 -0.778) 3.823 ======================= Grid point 581 (187/231) ======================= q-point: ( 0.38 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -0.000 15.596 10.027) 18.541 0.882 ( -0.000 13.628 1.118) 13.674 0.956 ( 0.000 7.265 -10.135) 12.469 0.986 ( 0.000 6.821 -3.016) 7.458 1.158 ( 0.000 13.058 -1.231) 13.116 1.384 ( -0.000 12.803 0.902) 12.835 1.427 ( -0.000 -1.811 0.052) 1.811 1.546 ( 0.000 3.853 -2.042) 4.361 2.094 ( 0.000 -3.645 -5.715) 6.778 2.353 ( -0.000 6.811 10.202) 12.267 2.717 ( 0.000 -1.888 -4.385) 4.774 2.748 ( 0.000 0.582 -1.579) 1.683 2.900 ( -0.000 1.671 1.909) 2.537 3.028 ( 0.000 -3.403 -2.671) 4.326 3.093 ( 0.000 1.131 -4.531) 4.670 3.224 ( 0.000 -3.222 -0.326) 3.238 3.246 ( 0.000 -6.184 -2.783) 6.781 3.374 ( 0.000 3.028 -0.123) 3.030 3.580 ( 0.000 -0.455 -2.029) 2.079 3.897 ( 0.000 -4.868 -0.125) 4.870 3.993 ( 0.000 -9.787 -4.247) 10.669 ======================= Grid point 582 (188/231) ======================= q-point: ( 0.46 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -0.190 10.082 0.272) 10.087 1.010 ( 3.001 7.004 -1.420) 7.751 1.099 ( 7.896 9.355 -0.455) 12.250 1.126 ( 5.255 7.582 -1.370) 9.326 1.277 ( 0.042 7.037 -1.367) 7.169 1.433 ( 2.391 0.422 0.362) 2.455 1.510 ( 0.161 4.894 1.353) 5.080 1.636 ( 3.286 13.222 -0.581) 13.636 2.030 ( -1.838 -3.146 -5.280) 6.415 2.455 ( 1.673 6.214 7.377) 9.789 2.662 ( -2.241 -1.686 -3.327) 4.351 2.751 ( 0.373 -0.372 -0.719) 0.891 2.924 ( 1.376 -1.238 2.775) 3.336 2.986 ( -0.860 -3.560 -2.866) 4.650 3.080 ( -0.877 -2.415 -6.280) 6.785 3.171 ( -1.638 -3.651 -0.880) 4.097 3.176 ( -0.384 -4.688 0.262) 4.711 3.419 ( 1.978 1.254 0.606) 2.419 3.545 ( -1.654 -2.436 -1.181) 3.173 3.816 ( -4.036 -4.109 0.823) 5.818 3.864 ( -2.484 -9.189 -3.871) 10.275 ======================= Grid point 583 (189/231) ======================= q-point: ( 0.54 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 1.495 7.849 -1.013) 8.054 1.151 ( 3.755 5.284 2.104) 6.816 1.269 ( 5.075 4.059 -1.789) 6.741 1.291 ( -0.229 3.301 -1.183) 3.513 1.334 ( 6.049 7.972 0.098) 10.008 1.490 ( 2.294 -0.752 1.194) 2.693 1.518 ( -1.874 1.908 -1.812) 3.231 1.854 ( 5.164 11.371 0.588) 12.503 1.971 ( -0.009 -2.098 -3.382) 3.980 2.552 ( 2.086 4.247 4.004) 6.199 2.616 ( -0.789 -1.293 -1.591) 2.197 2.746 ( -0.391 -0.302 0.346) 0.603 2.908 ( -3.436 -2.800 -1.461) 4.667 2.940 ( 1.003 -0.505 0.151) 1.134 3.005 ( -1.835 -3.591 -5.376) 6.721 3.100 ( -2.921 -2.200 0.426) 3.682 3.132 ( -0.424 -3.871 0.176) 3.898 3.435 ( -1.090 -2.328 0.697) 2.664 3.486 ( -1.060 -3.267 -1.189) 3.634 3.689 ( -4.839 -4.358 1.755) 6.745 3.733 ( -2.218 -6.807 -2.815) 7.692 ======================= Grid point 584 (190/231) ======================= q-point: ( 0.62 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 0.305 6.314 0.927) 6.389 1.179 ( -3.453 1.386 -1.109) 3.882 1.356 ( 2.802 4.826 1.210) 5.710 1.381 ( 1.953 3.894 -1.608) 4.643 1.441 ( -1.632 1.397 -0.037) 2.149 1.519 ( 2.442 3.376 -0.595) 4.209 1.521 ( 2.482 -0.270 0.138) 2.500 1.928 ( -2.067 1.493 -1.484) 2.951 2.060 ( 8.195 1.165 0.154) 8.279 2.579 ( -1.614 -1.146 -0.114) 1.983 2.635 ( 2.260 2.689 1.513) 3.825 2.739 ( -1.034 0.675 -0.516) 1.338 2.830 ( -2.676 0.291 0.316) 2.710 2.931 ( -2.374 -2.159 -0.738) 3.293 2.957 ( 1.455 -0.529 -2.115) 2.621 3.034 ( -3.398 -0.184 0.057) 3.403 3.098 ( 1.727 -3.510 -0.028) 3.912 3.331 ( -6.428 -3.887 -0.341) 7.520 3.414 ( -4.137 -2.231 -0.604) 4.739 3.612 ( 0.835 -4.796 0.640) 4.910 3.642 ( -0.311 -6.472 -0.815) 6.531 ======================= Grid point 585 (191/231) ======================= q-point: ( 0.69 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -5.227 1.849 0.598) 5.577 1.215 ( -0.489 5.017 -0.733) 5.094 1.349 ( -4.986 4.254 0.421) 6.568 1.438 ( -1.482 6.231 0.564) 6.429 1.468 ( 0.453 -0.001 1.917) 1.970 1.559 ( 4.778 -0.640 -0.475) 4.844 1.601 ( 2.259 1.090 -2.316) 3.414 1.889 ( -2.982 1.516 -0.963) 3.481 2.181 ( 5.152 -1.295 0.926) 5.393 2.543 ( -1.446 0.466 0.222) 1.535 2.676 ( -2.756 2.001 -0.222) 3.413 2.716 ( -0.325 1.824 0.018) 1.853 2.834 ( 0.105 2.460 1.098) 2.696 2.887 ( 0.766 -3.188 1.588) 3.643 2.957 ( -0.270 -2.491 0.457) 2.547 2.997 ( -1.442 2.667 -3.574) 4.687 3.124 ( 3.697 -1.893 0.104) 4.155 3.177 ( -5.087 -3.930 -0.685) 6.465 3.314 ( -4.945 -1.214 0.330) 5.103 3.585 ( 1.372 -6.365 -0.342) 6.520 3.592 ( 2.238 -5.603 -0.264) 6.039 ======================= Grid point 586 (192/231) ======================= q-point: ( 0.77 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -4.032 4.507 0.993) 6.128 1.235 ( -2.431 4.922 -1.806) 5.779 1.346 ( -2.113 6.324 2.414) 7.091 1.436 ( -2.933 3.077 -0.453) 4.275 1.472 ( -1.705 2.529 0.915) 3.184 1.615 ( 1.181 -2.800 -1.512) 3.394 1.631 ( 3.824 -1.332 -0.605) 4.094 1.877 ( -1.519 3.938 1.671) 4.540 2.211 ( -0.039 -0.766 -1.785) 1.943 2.547 ( -0.957 3.989 1.110) 4.249 2.623 ( -3.568 2.081 0.195) 4.135 2.739 ( -0.181 0.849 -0.642) 1.080 2.852 ( -1.312 2.026 0.243) 2.425 2.892 ( 2.379 -3.285 1.890) 4.475 2.931 ( 0.294 -1.986 1.140) 2.309 2.991 ( 0.338 0.995 -2.779) 2.971 3.111 ( 0.742 -2.215 0.417) 2.373 3.164 ( 2.607 -2.343 -0.457) 3.535 3.231 ( -3.156 -0.493 0.105) 3.196 3.560 ( 2.829 -5.568 -0.243) 6.250 3.572 ( 2.193 -5.627 -0.717) 6.081 ======================= Grid point 595 (193/231) ======================= q-point: ( 0.46 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 0.000 2.424 -9.076) 9.394 1.041 ( 0.000 4.444 -2.601) 5.149 1.156 ( -0.000 11.666 7.728) 13.993 1.170 ( -0.000 8.414 1.451) 8.539 1.367 ( 0.000 7.118 -1.634) 7.303 1.400 ( 0.000 0.094 -0.306) 0.320 1.549 ( 0.000 2.020 -0.145) 2.026 1.772 ( -0.000 16.983 0.680) 16.997 2.011 ( 0.000 -1.864 -4.123) 4.524 2.527 ( -0.000 7.195 5.373) 8.980 2.664 ( 0.000 -2.153 -2.788) 3.522 2.727 ( 0.000 -2.213 -1.311) 2.572 2.899 ( -0.000 -1.197 3.366) 3.572 2.951 ( 0.000 -3.370 -1.332) 3.623 3.033 ( 0.000 -6.439 -7.106) 9.589 3.128 ( 0.000 -2.867 -0.270) 2.879 3.156 ( 0.000 -2.979 -0.093) 2.980 3.401 ( -0.000 -2.361 2.058) 3.132 3.520 ( 0.000 -4.428 -1.471) 4.666 3.796 ( 0.000 -6.531 -3.571) 7.444 3.822 ( -0.000 -3.325 1.267) 3.558 ======================= Grid point 596 (194/231) ======================= q-point: ( 0.54 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 4.255 2.867 -4.467) 6.803 1.132 ( 5.466 1.820 -1.209) 5.887 1.259 ( 1.242 7.083 4.004) 8.231 1.276 ( 3.227 2.638 0.752) 4.236 1.393 ( -1.179 7.637 -1.157) 7.814 1.453 ( 1.837 1.120 -0.050) 2.152 1.553 ( -0.844 0.712 -1.375) 1.763 1.907 ( 0.376 5.576 -2.900) 6.296 2.006 ( -1.691 7.364 0.954) 7.615 2.595 ( -0.506 5.239 2.764) 5.945 2.617 ( -1.245 -1.883 -1.900) 2.951 2.722 ( 1.882 -2.256 -0.465) 2.975 2.890 ( -0.084 -4.005 -3.443) 5.282 2.922 ( 0.244 -1.167 3.041) 3.266 2.966 ( 0.870 -4.190 -3.930) 5.810 3.089 ( -1.130 -3.072 -1.709) 3.693 3.131 ( -0.674 -1.363 1.344) 2.029 3.374 ( 1.490 -6.217 1.349) 6.534 3.462 ( -0.662 -5.142 -0.258) 5.190 3.714 ( -2.838 -3.939 -1.349) 5.039 3.756 ( -4.296 -2.391 0.223) 4.921 ======================= Grid point 597 (195/231) ======================= q-point: ( 0.62 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 5.813 1.575 -0.640) 6.056 1.191 ( 1.380 -0.244 -1.585) 2.116 1.356 ( 2.517 4.036 2.425) 5.339 1.375 ( 3.486 4.497 -2.195) 6.098 1.448 ( 1.915 0.194 -0.851) 2.105 1.497 ( 0.707 4.925 2.163) 5.425 1.535 ( -0.868 0.252 -1.491) 1.744 1.921 ( 1.751 -1.988 -0.283) 2.664 2.066 ( -2.518 8.821 -0.830) 9.211 2.583 ( -0.499 -1.701 -0.721) 1.914 2.642 ( 0.772 3.286 0.467) 3.408 2.734 ( 1.384 -1.042 0.344) 1.766 2.846 ( -0.066 -1.397 -2.296) 2.689 2.917 ( -0.057 -1.874 0.543) 1.952 2.956 ( 0.105 -0.411 -1.067) 1.148 3.038 ( 0.042 -3.535 -0.540) 3.577 3.095 ( -3.073 0.198 0.614) 3.140 3.325 ( 0.170 -8.005 0.629) 8.032 3.410 ( 0.572 -4.286 0.081) 4.325 3.614 ( -4.601 -2.692 0.390) 5.345 3.640 ( -5.460 -2.795 -0.625) 6.166 ======================= Grid point 598 (196/231) ======================= q-point: ( 0.69 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -0.488 -0.313 -0.321) 0.663 1.278 ( 2.029 3.609 -0.543) 4.176 1.409 ( 0.393 1.909 1.507) 2.464 1.422 ( 0.917 0.217 -1.466) 1.743 1.501 ( 1.152 3.116 0.172) 3.326 1.525 ( 0.217 0.712 -0.184) 0.766 1.579 ( 2.245 2.395 0.049) 3.283 1.942 ( 0.907 0.810 0.179) 1.229 2.109 ( 1.649 3.780 -0.535) 4.158 2.559 ( -0.481 -0.600 -0.210) 0.797 2.687 ( 1.072 1.868 0.144) 2.159 2.748 ( 0.378 0.369 -0.032) 0.529 2.854 ( 0.617 1.557 -0.068) 1.676 2.888 ( -1.621 -1.415 0.232) 2.164 2.924 ( -1.051 -2.839 -0.523) 3.072 3.041 ( 1.714 -1.017 0.638) 2.092 3.053 ( -1.190 1.424 -0.875) 2.052 3.214 ( -3.835 -7.038 -0.174) 8.017 3.376 ( -1.648 -2.563 0.231) 3.056 3.517 ( -1.962 -4.120 0.104) 4.565 3.529 ( -2.641 -4.145 -0.189) 4.919 ======================= Grid point 599 (197/231) ======================= q-point: ( 0.77 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -2.107 3.480 0.274) 4.077 1.301 ( -2.367 3.420 -0.188) 4.164 1.427 ( 0.182 2.681 0.548) 2.742 1.464 ( 3.621 -1.642 0.250) 3.984 1.520 ( -1.536 1.303 -0.398) 2.054 1.540 ( 0.484 0.361 1.452) 1.573 1.607 ( 0.128 -0.028 -1.898) 1.902 1.974 ( -1.361 6.675 0.673) 6.845 2.191 ( 2.851 2.376 -0.664) 3.770 2.568 ( 1.175 1.942 0.167) 2.276 2.705 ( -1.499 0.594 -0.130) 1.617 2.751 ( -0.813 1.490 0.099) 1.700 2.831 ( -0.515 -3.037 1.816) 3.575 2.875 ( 0.740 -0.333 -0.365) 0.889 2.904 ( 0.051 -1.479 0.084) 1.482 3.026 ( -2.613 0.191 -1.941) 3.260 3.080 ( 0.852 -1.685 0.685) 2.008 3.106 ( 0.591 -1.577 -0.373) 1.725 3.296 ( -4.495 -1.281 0.545) 4.706 3.463 ( 1.108 -5.266 -0.251) 5.387 3.475 ( 1.418 -5.414 -0.307) 5.605 ======================= Grid point 609 (198/231) ======================= q-point: ( 0.54 0.54 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 0.000 2.545 -2.616) 3.649 1.082 ( -0.000 0.020 0.022) 0.030 1.246 ( 0.000 0.540 -1.316) 1.422 1.304 ( -0.000 -0.425 2.143) 2.184 1.472 ( -0.000 5.981 0.393) 5.994 1.481 ( 0.000 7.059 -1.668) 7.254 1.555 ( 0.000 -0.922 -1.154) 1.477 1.918 ( 0.000 -1.004 -2.517) 2.710 2.139 ( -0.000 12.028 2.076) 12.206 2.601 ( 0.000 -3.486 -1.588) 3.831 2.658 ( 0.000 -3.764 -0.980) 3.890 2.662 ( -0.000 4.454 1.336) 4.650 2.832 ( 0.000 -5.641 -4.847) 7.437 2.899 ( 0.000 -0.940 -0.072) 0.943 2.939 ( -0.000 -0.104 2.014) 2.016 3.084 ( 0.000 -1.646 -1.171) 2.020 3.119 ( -0.000 -0.732 0.538) 0.908 3.294 ( -0.000 -7.150 1.438) 7.293 3.411 ( -0.000 -5.841 0.262) 5.847 3.715 ( 0.000 -1.454 -0.191) 1.466 3.773 ( 0.000 -2.331 -0.098) 2.333 ======================= Grid point 610 (199/231) ======================= q-point: ( 0.62 0.54 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 3.674 -0.218 0.023) 3.680 1.126 ( 4.722 -0.573 -1.430) 4.967 1.300 ( 2.452 -2.003 -1.048) 3.335 1.301 ( 5.665 0.863 -0.132) 5.732 1.500 ( -1.478 0.521 -1.906) 2.467 1.537 ( 0.546 4.297 -0.376) 4.348 1.561 ( -1.452 4.790 1.545) 5.238 1.890 ( -0.331 -2.374 -0.511) 2.450 2.210 ( -3.489 7.212 0.148) 8.012 2.560 ( 0.115 -3.069 -1.400) 3.375 2.646 ( 2.272 -2.495 -0.591) 3.426 2.688 ( 0.219 1.055 0.123) 1.084 2.808 ( 2.155 -1.473 -2.895) 3.898 2.920 ( 2.088 0.490 1.887) 2.856 2.934 ( -1.256 0.149 0.843) 1.520 3.029 ( -2.632 -2.061 -2.155) 3.977 3.135 ( 0.112 1.168 0.899) 1.478 3.235 ( 0.563 -6.522 1.034) 6.627 3.351 ( -0.141 -5.287 0.547) 5.317 3.674 ( -3.394 -0.972 0.724) 3.604 3.710 ( -4.291 -2.238 -0.502) 4.865 ======================= Grid point 611 (200/231) ======================= q-point: ( 0.69 0.54 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 4.163 -3.368 -1.338) 5.520 1.214 ( 4.612 1.574 -0.211) 4.878 1.353 ( 5.568 -1.562 -0.860) 5.846 1.441 ( 6.965 1.561 -0.576) 7.161 1.477 ( -0.535 0.449 -1.495) 1.650 1.554 ( -3.180 3.470 1.103) 4.834 1.589 ( -0.137 2.634 1.850) 3.222 1.886 ( 2.794 -1.276 0.273) 3.084 2.187 ( -3.775 3.368 -0.935) 5.144 2.546 ( 0.921 -0.958 -0.877) 1.592 2.676 ( 3.064 -1.422 -0.119) 3.380 2.716 ( 1.714 0.710 0.143) 1.861 2.841 ( 2.047 0.964 -1.290) 2.605 2.893 ( -3.070 -0.474 -0.275) 3.118 2.958 ( -2.188 -0.567 0.259) 2.275 2.983 ( 2.917 -0.938 0.912) 3.197 3.124 ( -3.207 2.130 0.012) 3.850 3.173 ( -0.868 -6.083 0.555) 6.169 3.315 ( 1.696 -4.845 0.036) 5.134 3.581 ( -5.968 -1.458 0.918) 6.212 3.593 ( -6.185 -1.536 -0.399) 6.385 ======================= Grid point 623 (201/231) ======================= q-point: ( 0.62 0.62 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -0.000 -1.880 1.086) 2.172 1.047 ( 0.000 -2.694 -1.326) 3.003 1.254 ( -0.000 0.719 1.114) 1.326 1.259 ( 0.000 -0.215 -3.248) 3.256 1.476 ( 0.000 -3.745 -1.733) 4.127 1.581 ( 0.000 4.347 -0.643) 4.394 1.643 ( -0.000 5.941 1.673) 6.172 1.867 ( 0.000 -2.908 -0.250) 2.919 2.295 ( -0.000 2.203 0.049) 2.203 2.515 ( 0.000 -4.094 -1.819) 4.480 2.584 ( 0.000 -3.109 -0.211) 3.116 2.709 ( -0.000 0.400 1.375) 1.432 2.757 ( 0.000 0.036 -2.310) 2.311 2.922 ( -0.000 2.570 0.270) 2.584 2.950 ( -0.000 0.212 0.580) 0.618 3.051 ( 0.000 -1.510 -1.716) 2.286 3.123 ( -0.000 0.605 0.110) 0.615 3.198 ( -0.000 -1.848 2.210) 2.881 3.310 ( -0.000 -4.029 0.416) 4.050 3.698 ( -0.000 -0.904 1.085) 1.412 3.724 ( 0.000 -2.224 -0.482) 2.275 ======================= Grid point 624 (202/231) ======================= q-point: (-0.31 -0.38 -0.77) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 2.469 -3.642 -1.952) 4.814 1.110 ( 7.719 -1.931 -0.001) 7.957 1.268 ( 1.771 1.260 -1.816) 2.832 1.337 ( 5.857 1.463 1.882) 6.323 1.447 ( 1.009 -2.492 -0.603) 2.756 1.614 ( -0.222 2.662 -0.788) 2.785 1.669 ( -2.913 3.617 1.773) 4.971 1.845 ( 0.555 -1.227 -0.557) 1.457 2.261 ( -3.160 -1.323 -0.030) 3.426 2.497 ( 2.417 -2.180 -1.802) 3.720 2.584 ( 2.906 -2.372 -0.002) 3.751 2.718 ( 0.465 0.926 1.275) 1.643 2.796 ( 3.147 0.528 -0.504) 3.230 2.940 ( -1.296 0.283 -0.748) 1.523 2.953 ( 0.496 1.245 0.561) 1.453 2.996 ( -3.233 -0.258 -1.089) 3.421 3.143 ( 0.571 -0.979 -0.786) 1.379 3.186 ( -1.359 1.419 2.058) 2.845 3.264 ( -0.862 -3.537 0.258) 3.649 3.658 ( -3.665 -1.049 0.842) 3.904 3.669 ( -3.821 -1.473 0.013) 4.095 ======================= Grid point 637 (203/231) ======================= q-point: (-0.31 -0.31 -0.77) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 0.000 -3.640 -2.854) 4.626 0.991 ( 0.000 -1.500 -2.942) 3.302 1.280 ( -0.000 0.823 3.526) 3.621 1.303 ( -0.000 2.940 1.051) 3.122 1.417 ( -0.000 -0.790 0.692) 1.050 1.634 ( 0.000 1.335 -1.673) 2.140 1.721 ( -0.000 0.970 1.150) 1.504 1.839 ( 0.000 1.129 -0.681) 1.319 2.260 ( -0.000 -3.880 0.021) 3.880 2.444 ( 0.000 -1.596 -2.665) 3.106 2.544 ( -0.000 -0.777 0.466) 0.906 2.719 ( -0.000 -0.112 3.849) 3.851 2.778 ( 0.000 1.477 -1.294) 1.964 2.945 ( 0.000 -0.470 -0.406) 0.621 2.968 ( 0.000 1.369 -0.302) 1.402 3.033 ( 0.000 1.053 -2.355) 2.580 3.130 ( 0.000 0.048 -0.964) 0.965 3.210 ( -0.000 0.064 2.819) 2.819 3.254 ( 0.000 -1.307 -0.079) 1.310 3.684 ( -0.000 -0.380 0.754) 0.844 3.689 ( -0.000 -1.198 0.385) 1.258 ======================= Grid point 736 (204/231) ======================= q-point: ( 0.31 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( -0.000 0.000 12.885) 12.885 0.353 ( -0.000 0.000 12.885) 12.885 0.402 ( -0.000 0.000 25.021) 25.021 0.844 ( 0.000 -0.000 -8.607) 8.607 0.844 ( 0.000 -0.000 -8.607) 8.607 1.220 ( 0.000 -0.000 -16.398) 16.398 1.471 ( -0.000 0.000 0.482) 0.482 1.471 ( -0.000 0.000 0.482) 0.482 2.186 ( -0.000 0.000 14.990) 14.990 2.186 ( -0.000 0.000 14.990) 14.990 2.206 ( 0.000 -0.000 -3.018) 3.018 2.762 ( 0.000 -0.000 -6.780) 6.780 2.762 ( 0.000 -0.000 -6.780) 6.780 3.118 ( 0.000 -0.000 -3.337) 3.337 3.118 ( 0.000 -0.000 -3.337) 3.337 3.295 ( 0.000 -0.000 -0.082) 0.082 3.295 ( 0.000 -0.000 -0.082) 0.082 3.319 ( -0.000 0.000 1.617) 1.617 3.567 ( 0.000 -0.000 -7.355) 7.355 4.035 ( 0.000 -0.000 -1.187) 1.187 4.237 ( 0.000 -0.000 -4.467) 4.467 ======================= Grid point 737 (205/231) ======================= q-point: ( 0.38 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( 8.345 4.818 16.004) 18.681 0.526 ( 11.503 6.641 7.997) 15.504 0.734 ( 17.538 10.126 5.312) 20.936 0.900 ( 5.252 3.032 -7.261) 9.461 0.911 ( 6.942 4.008 -6.247) 10.163 1.230 ( 4.640 2.679 -12.321) 13.436 1.459 ( -1.082 -0.624 0.361) 1.300 1.490 ( 1.511 0.873 -0.072) 1.747 2.160 ( -2.896 -1.672 -4.046) 5.249 2.262 ( 3.663 2.115 13.444) 14.093 2.624 ( 15.828 9.138 -1.272) 18.321 2.723 ( -1.508 -0.871 -6.212) 6.451 2.818 ( 7.297 4.213 -6.305) 10.524 3.080 ( -1.538 -0.888 -3.448) 3.879 3.094 ( -1.783 -1.029 -3.094) 3.716 3.277 ( -1.487 -0.859 -0.246) 1.735 3.292 ( -0.801 -0.463 -0.636) 1.123 3.351 ( 1.309 0.756 -0.755) 1.690 3.543 ( -0.715 -0.413 -3.271) 3.374 3.987 ( -3.917 -2.262 -0.111) 4.524 4.166 ( -4.911 -2.836 -5.186) 7.685 ======================= Grid point 738 (206/231) ======================= q-point: ( 0.46 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 8.385 4.841 8.286) 12.744 0.810 ( 10.957 6.326 3.477) 13.121 1.030 ( 9.373 5.412 -7.812) 13.348 1.041 ( 7.281 4.204 -4.334) 9.459 1.172 ( 13.043 7.530 1.074) 15.099 1.414 ( 11.660 6.732 -1.698) 13.570 1.425 ( -1.787 -1.032 0.210) 2.074 1.534 ( 2.683 1.549 -1.374) 3.389 2.072 ( -3.487 -2.013 -4.529) 6.060 2.392 ( 5.328 3.076 9.650) 11.444 2.680 ( -1.123 -0.648 -4.248) 4.441 2.737 ( 0.328 0.189 -0.475) 0.607 2.961 ( -0.684 -0.395 3.321) 3.414 3.027 ( -3.397 -1.961 -2.206) 4.500 3.071 ( 1.346 0.777 -7.718) 7.873 3.229 ( -2.473 -1.428 -0.732) 2.948 3.232 ( -3.844 -2.220 -2.699) 5.195 3.401 ( 3.611 2.085 -1.797) 4.540 3.530 ( -0.598 -0.345 1.097) 1.297 3.867 ( -6.098 -3.521 1.243) 7.150 4.014 ( -6.773 -3.910 -5.054) 9.311 ======================= Grid point 739 (207/231) ======================= q-point: ( 0.54 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 5.994 3.461 1.674) 7.121 1.017 ( 6.220 3.591 0.042) 7.183 1.187 ( 4.561 2.633 -0.425) 5.284 1.239 ( 8.987 5.189 -2.554) 10.687 1.375 ( 4.164 2.404 -1.578) 5.061 1.399 ( 0.585 0.338 -0.258) 0.723 1.540 ( 0.742 0.429 0.464) 0.975 1.754 ( 12.269 7.084 2.119) 14.325 2.022 ( 1.290 0.745 -4.945) 5.165 2.529 ( 4.905 2.832 5.582) 7.952 2.658 ( -0.431 -0.249 -2.715) 2.761 2.716 ( -1.929 -1.114 -0.083) 2.229 2.885 ( -5.060 -2.921 3.918) 7.034 2.941 ( -3.401 -1.964 -0.259) 3.936 3.035 ( -2.652 -1.531 -5.431) 6.235 3.140 ( -3.143 -1.815 -2.492) 4.403 3.169 ( -2.288 -1.321 -1.303) 2.945 3.428 ( -2.717 -1.569 0.161) 3.142 3.508 ( -1.851 -1.069 -1.165) 2.435 3.746 ( -3.489 -2.015 1.689) 4.369 3.863 ( -5.065 -2.924 -2.930) 6.541 ======================= Grid point 740 (208/231) ======================= q-point: ( 0.62 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 4.447 2.567 -2.241) 5.602 1.085 ( -0.320 -0.185 -0.434) 0.570 1.237 ( 1.096 0.633 0.242) 1.289 1.308 ( -3.852 -2.224 1.338) 4.645 1.469 ( 4.899 2.829 0.862) 5.722 1.474 ( 4.782 2.761 0.050) 5.522 1.550 ( 1.228 0.709 -0.594) 1.537 1.906 ( 0.937 0.541 -0.393) 1.151 2.159 ( 8.687 5.016 -1.449) 10.135 2.586 ( -2.078 -1.200 1.003) 2.601 2.654 ( -3.088 -1.783 -0.467) 3.596 2.669 ( 2.635 1.521 0.056) 3.043 2.778 ( -3.899 -2.251 3.738) 5.852 2.895 ( -0.247 -0.142 0.594) 0.659 2.974 ( -1.530 -0.883 -2.752) 3.270 3.082 ( -1.598 -0.923 -1.460) 2.353 3.128 ( -0.884 -0.510 -1.033) 1.452 3.309 ( -6.048 -3.492 -0.952) 7.048 3.417 ( -4.978 -2.874 -0.786) 5.802 3.715 ( -0.230 -0.133 -0.412) 0.490 3.773 ( -2.751 -1.588 -0.118) 3.179 ======================= Grid point 741 (209/231) ======================= q-point: ( 0.69 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -2.780 -1.605 1.731) 3.647 1.049 ( -2.644 -1.526 -1.880) 3.585 1.243 ( 0.591 0.341 2.607) 2.695 1.263 ( 1.181 0.682 -2.215) 2.601 1.467 ( -2.712 -1.566 1.642) 3.536 1.576 ( 3.543 2.045 1.084) 4.232 1.654 ( 5.053 2.918 -2.185) 6.231 1.869 ( -2.726 -1.574 -1.133) 3.345 2.291 ( 1.783 1.029 1.333) 2.452 2.506 ( -3.857 -2.227 1.399) 4.668 2.585 ( -2.592 -1.496 -0.547) 3.042 2.717 ( 1.022 0.590 -1.303) 1.758 2.745 ( 0.533 0.308 1.837) 1.938 2.923 ( 2.144 1.238 0.018) 2.476 2.953 ( -0.288 -0.166 -0.163) 0.370 3.045 ( -1.743 -1.006 0.113) 2.016 3.123 ( 0.273 0.158 0.119) 0.337 3.210 ( -1.265 -0.730 -2.230) 2.666 3.312 ( -3.642 -2.103 -0.123) 4.208 3.704 ( -0.754 -0.435 -1.308) 1.571 3.722 ( -1.840 -1.062 0.568) 2.199 ======================= Grid point 750 (210/231) ======================= q-point: ( 0.38 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( -0.000 14.026 13.207) 19.265 0.590 ( -0.000 14.387 5.607) 15.441 0.690 ( -0.000 15.617 7.166) 17.183 0.858 ( 0.000 4.708 -6.497) 8.024 0.924 ( 0.000 9.225 -6.154) 11.089 1.195 ( 0.000 4.746 -11.608) 12.541 1.459 ( -0.000 -1.213 0.332) 1.258 1.492 ( 0.000 1.794 -0.134) 1.799 2.156 ( 0.000 -3.139 -3.820) 4.944 2.270 ( -0.000 3.419 12.892) 13.338 2.633 ( -0.000 19.401 2.861) 19.611 2.735 ( 0.000 -0.770 -6.600) 6.645 2.765 ( 0.000 4.560 -6.419) 7.874 3.081 ( 0.000 -2.190 -2.619) 3.414 3.082 ( 0.000 -1.436 -3.252) 3.555 3.276 ( 0.000 -1.857 -0.108) 1.860 3.299 ( 0.000 0.251 -0.721) 0.764 3.347 ( -0.000 -0.133 0.082) 0.156 3.552 ( 0.000 1.671 -4.450) 4.754 3.991 ( -0.000 -3.857 -0.075) 3.858 4.152 ( 0.000 -6.277 -5.335) 8.238 ======================= Grid point 751 (211/231) ======================= q-point: ( 0.46 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 2.359 12.173 10.067) 15.971 0.794 ( 4.285 14.407 2.914) 15.311 0.912 ( 8.345 7.194 -6.609) 12.848 0.983 ( 6.396 7.179 -5.708) 11.181 1.079 ( 6.872 11.440 1.508) 13.430 1.315 ( 6.900 10.011 -3.509) 12.655 1.443 ( -0.512 -0.914 0.153) 1.059 1.517 ( 0.890 1.963 -0.835) 2.311 2.090 ( -2.418 -3.491 -4.029) 5.854 2.367 ( 3.356 4.074 9.898) 11.217 2.681 ( -1.857 -0.941 -4.908) 5.331 2.741 ( 0.546 1.540 0.373) 1.676 2.928 ( 5.283 3.901 2.373) 6.983 3.042 ( -1.709 -2.518 -2.805) 4.138 3.065 ( 0.446 1.328 -5.982) 6.144 3.232 ( -2.006 -2.790 0.107) 3.437 3.268 ( -2.120 -3.143 -2.001) 4.287 3.366 ( 2.236 2.248 -1.100) 3.356 3.552 ( -1.189 1.062 -0.738) 1.757 3.913 ( -3.684 -4.833 0.816) 6.131 4.035 ( -3.589 -7.808 -5.059) 9.972 ======================= Grid point 752 (212/231) ======================= q-point: ( 0.54 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 2.206 8.713 3.930) 9.809 0.997 ( 4.722 9.558 1.554) 10.773 1.136 ( 7.826 7.305 -3.845) 11.375 1.150 ( 6.392 7.783 -2.296) 10.330 1.281 ( 5.760 2.050 -1.184) 6.227 1.437 ( -0.298 3.142 0.134) 3.159 1.514 ( 2.648 0.645 0.588) 2.788 1.632 ( 10.274 10.148 0.102) 14.441 2.010 ( -1.591 -2.480 -3.486) 4.565 2.486 ( 4.097 3.311 5.792) 7.829 2.641 ( -0.327 -1.598 -2.683) 3.140 2.745 ( -1.043 0.375 0.463) 1.202 2.950 ( -2.900 -1.483 4.210) 5.323 2.969 ( -2.131 -2.413 -1.465) 3.537 3.053 ( -1.875 -1.446 -7.509) 7.874 3.154 ( -3.279 -3.208 0.431) 4.607 3.197 ( -1.908 -2.394 -1.551) 3.432 3.437 ( 1.531 1.587 -0.941) 2.398 3.526 ( -1.762 -1.010 0.434) 2.077 3.787 ( -4.846 -4.808 2.406) 7.238 3.879 ( -3.688 -7.330 -4.326) 9.276 ======================= Grid point 753 (213/231) ======================= q-point: ( 0.62 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 1.722 6.952 0.706) 7.197 1.122 ( -0.476 5.649 0.302) 5.677 1.261 ( 0.037 4.199 1.050) 4.328 1.308 ( 4.650 2.301 -2.240) 5.651 1.392 ( 6.602 3.308 -0.869) 7.435 1.458 ( -0.759 2.622 -0.735) 2.827 1.537 ( 1.108 -0.772 1.227) 1.825 1.878 ( 4.478 3.721 1.831) 6.104 2.031 ( 7.837 1.742 -3.197) 8.642 2.585 ( 2.399 1.115 3.153) 4.116 2.621 ( 0.664 -1.441 -1.210) 1.995 2.721 ( -2.510 1.002 -0.198) 2.710 2.850 ( -5.212 -1.987 2.914) 6.293 2.930 ( -2.332 0.605 1.662) 2.927 2.984 ( -1.348 -1.696 -6.505) 6.856 3.072 ( -2.301 -3.181 1.230) 4.114 3.147 ( -1.048 -1.296 -1.491) 2.237 3.385 ( -5.941 -2.312 -0.429) 6.390 3.466 ( -3.914 -2.642 -1.115) 4.852 3.698 ( -0.389 -3.485 1.253) 3.724 3.767 ( -1.106 -5.655 -1.448) 5.941 ======================= Grid point 754 (214/231) ======================= q-point: ( 0.69 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -2.231 2.711 -1.469) 3.806 1.118 ( -2.004 3.708 1.188) 4.379 1.293 ( -4.566 0.934 1.559) 4.914 1.302 ( -1.415 5.767 -0.505) 5.959 1.487 ( 0.714 -1.047 2.457) 2.765 1.535 ( 3.595 2.600 0.452) 4.460 1.572 ( 5.263 1.581 -2.448) 6.016 1.891 ( -1.777 -1.205 -0.818) 2.297 2.209 ( 7.784 0.045 0.494) 7.800 2.554 ( -2.922 -1.453 0.780) 3.355 2.643 ( -2.937 0.822 0.221) 3.058 2.688 ( 0.535 0.711 0.115) 0.897 2.793 ( -1.805 1.779 2.303) 3.424 2.917 ( -0.170 1.324 1.448) 1.969 2.954 ( -0.368 -0.194 -4.431) 4.451 3.019 ( -0.156 -3.617 1.393) 3.879 3.139 ( 0.693 0.536 -0.670) 1.103 3.241 ( -5.766 -2.923 -1.144) 6.565 3.355 ( -4.535 -2.821 -0.562) 5.370 3.679 ( 1.142 -3.261 -0.879) 3.565 3.707 ( 0.081 -4.936 0.467) 4.959 ======================= Grid point 764 (215/231) ======================= q-point: ( 0.46 0.46 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 0.000 11.705 -2.549) 11.979 0.884 ( 0.000 10.396 -3.280) 10.901 0.909 ( -0.000 10.177 0.876) 10.214 0.980 ( -0.000 8.852 0.969) 8.905 1.159 ( -0.000 13.024 1.206) 13.080 1.388 ( -0.000 15.512 0.739) 15.530 1.427 ( -0.000 -1.941 -0.037) 1.941 1.536 ( 0.000 3.219 -1.288) 3.468 2.066 ( 0.000 -3.926 -4.000) 5.605 2.406 ( -0.000 5.813 8.313) 10.144 2.690 ( 0.000 -1.283 -4.997) 5.159 2.744 ( 0.000 0.237 -0.089) 0.253 2.922 ( -0.000 2.164 6.016) 6.393 3.016 ( 0.000 -3.294 -1.515) 3.626 3.064 ( 0.000 1.061 -6.185) 6.275 3.223 ( -0.000 -3.246 -0.052) 3.247 3.232 ( 0.000 -5.984 -2.359) 6.432 3.376 ( -0.000 3.536 0.655) 3.596 3.568 ( 0.000 -0.256 -2.409) 2.422 3.896 ( 0.000 -5.069 -0.430) 5.087 3.972 ( 0.000 -9.175 -2.952) 9.639 ======================= Grid point 765 (216/231) ======================= q-point: ( 0.54 0.46 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 2.654 5.708 -5.849) 8.593 1.017 ( 3.625 9.530 0.493) 10.208 1.097 ( 5.856 8.519 1.131) 10.399 1.130 ( 4.541 10.909 1.646) 11.931 1.273 ( -0.222 6.337 -0.082) 6.341 1.436 ( 2.666 0.592 0.349) 2.753 1.515 ( -0.447 3.484 0.470) 3.544 1.634 ( 3.616 14.517 -0.265) 14.964 2.006 ( -1.653 -3.011 -2.903) 4.498 2.491 ( 1.343 5.269 4.993) 7.383 2.643 ( -1.946 -1.177 -3.008) 3.772 2.750 ( 0.623 -0.518 -0.013) 0.810 2.945 ( 0.892 -1.978 4.025) 4.573 2.975 ( -0.965 -3.159 -0.496) 3.340 3.042 ( -0.988 -2.693 -6.868) 7.443 3.164 ( -0.734 -4.431 -1.319) 4.681 3.181 ( -0.911 -3.231 1.230) 3.576 3.423 ( 1.580 1.799 1.055) 2.617 3.538 ( -1.206 -2.469 -1.266) 3.026 3.817 ( -2.862 -4.717 -1.128) 5.632 3.848 ( -3.441 -8.227 -0.844) 8.957 ======================= Grid point 766 (217/231) ======================= q-point: ( 0.62 0.46 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 3.088 6.934 -0.813) 7.633 1.163 ( 2.927 5.418 1.446) 6.325 1.260 ( 4.774 5.943 -1.070) 7.697 1.286 ( 0.065 1.482 -0.435) 1.546 1.335 ( 5.613 8.934 0.247) 10.553 1.497 ( 1.643 -1.607 1.206) 2.596 1.508 ( -1.240 2.457 -1.440) 3.106 1.857 ( 5.689 10.863 0.329) 12.267 1.958 ( -0.323 -1.441 -1.328) 1.986 2.569 ( 1.910 3.622 2.039) 4.575 2.608 ( -0.549 -1.011 -1.100) 1.592 2.749 ( -0.305 -0.338 0.417) 0.618 2.900 ( -2.606 -3.571 -1.001) 4.533 2.948 ( 0.017 -1.096 2.373) 2.614 2.977 ( -1.457 -2.216 -4.040) 4.832 3.101 ( -2.172 -2.724 0.136) 3.486 3.132 ( -1.219 -3.253 0.051) 3.474 3.438 ( -1.132 -2.158 0.268) 2.452 3.481 ( -1.548 -3.137 -0.448) 3.527 3.700 ( -4.753 -5.021 2.098) 7.226 3.718 ( -1.841 -6.036 -2.545) 6.804 ======================= Grid point 767 (218/231) ======================= q-point: ( 0.69 0.46 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -0.929 7.099 -0.344) 7.168 1.181 ( -1.996 0.185 1.590) 2.558 1.364 ( 1.997 5.192 1.699) 5.816 1.370 ( 2.599 3.845 -2.315) 5.187 1.444 ( -1.122 1.537 0.723) 2.035 1.509 ( 4.199 3.200 -2.134) 5.694 1.527 ( 0.524 -0.281 1.391) 1.513 1.922 ( -2.349 1.173 -0.621) 2.698 2.062 ( 8.636 1.595 0.543) 8.799 2.580 ( -1.479 -1.219 0.384) 1.955 2.641 ( 2.217 2.394 0.650) 3.327 2.737 ( -1.482 0.678 -0.470) 1.697 2.835 ( -1.745 -0.104 1.459) 2.277 2.923 ( -1.190 -2.073 -1.720) 2.945 2.952 ( 0.098 0.294 0.226) 0.383 3.035 ( -3.375 -1.001 0.406) 3.543 3.097 ( 1.707 -3.050 -0.375) 3.515 3.328 ( -6.784 -3.926 -0.519) 7.855 3.411 ( -3.963 -1.856 -0.424) 4.396 3.614 ( 0.272 -4.966 0.248) 4.980 3.639 ( 0.144 -6.353 -0.199) 6.358 ======================= Grid point 778 (219/231) ======================= q-point: ( 0.54 0.54 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 0.000 3.906 -7.355) 8.328 1.028 ( 0.000 5.345 -1.970) 5.697 1.177 ( -0.000 7.467 1.206) 7.564 1.195 ( -0.000 11.481 5.989) 12.950 1.362 ( 0.000 6.099 0.094) 6.099 1.398 ( 0.000 0.241 -0.137) 0.277 1.547 ( 0.000 1.484 -0.602) 1.601 1.773 ( 0.000 16.277 -0.589) 16.288 1.996 ( 0.000 -0.595 -0.924) 1.099 2.551 ( -0.000 6.180 2.741) 6.761 2.650 ( 0.000 -1.533 -2.009) 2.527 2.722 ( 0.000 -2.357 -0.815) 2.494 2.919 ( -0.000 -2.812 2.397) 3.695 2.944 ( 0.000 -3.239 -0.923) 3.368 2.998 ( 0.000 -5.120 -4.074) 6.543 3.128 ( -0.000 -3.109 0.156) 3.112 3.158 ( -0.000 -2.896 0.537) 2.945 3.414 ( -0.000 -2.407 2.200) 3.261 3.512 ( 0.000 -3.854 -1.382) 4.095 3.776 ( 0.000 -5.381 -3.513) 6.427 3.832 ( -0.000 -4.092 2.224) 4.657 ======================= Grid point 779 (220/231) ======================= q-point: ( 0.62 0.54 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 4.834 3.973 -2.773) 6.844 1.126 ( 5.490 2.111 -1.060) 5.977 1.266 ( 3.685 3.259 -0.487) 4.943 1.291 ( -0.122 5.063 3.759) 6.307 1.390 ( -0.717 7.752 -0.112) 7.786 1.454 ( 2.268 0.866 0.528) 2.485 1.545 ( -1.054 0.582 -1.554) 1.966 1.891 ( 0.627 5.055 -2.757) 5.792 2.015 ( -1.993 8.242 2.408) 8.815 2.600 ( -0.408 2.856 -1.819) 3.410 2.613 ( -1.357 -0.102 1.256) 1.851 2.721 ( 2.127 -2.123 -0.168) 3.010 2.869 ( -0.039 -5.030 -3.830) 6.322 2.939 ( 1.619 -1.675 0.152) 2.334 2.954 ( -0.527 -2.281 2.356) 3.321 3.080 ( -1.233 -3.349 -1.552) 3.892 3.139 ( -0.536 -1.445 1.519) 2.165 3.381 ( 1.202 -6.344 1.087) 6.548 3.462 ( -0.499 -4.832 0.353) 4.871 3.706 ( -2.737 -2.986 -1.568) 4.343 3.760 ( -4.381 -2.988 1.022) 5.401 ======================= Grid point 792 (221/231) ======================= q-point: (-0.38 -0.38 -0.69) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 0.000 3.928 -0.343) 3.943 1.083 ( -0.000 -0.000 0.259) 0.259 1.240 ( 0.000 0.707 -0.870) 1.121 1.311 ( -0.000 -2.785 0.299) 2.801 1.473 ( -0.000 5.811 0.185) 5.814 1.474 ( 0.000 6.992 -0.952) 7.057 1.550 ( 0.000 -0.149 -0.547) 0.567 1.908 ( 0.000 0.002 -1.107) 1.107 2.150 ( -0.000 11.234 1.828) 11.382 2.593 ( 0.000 -3.128 -1.315) 3.393 2.654 ( 0.000 -3.701 -0.301) 3.713 2.668 ( -0.000 3.761 0.560) 3.802 2.803 ( 0.000 -5.154 -5.194) 7.317 2.897 ( 0.000 -0.548 -0.380) 0.667 2.956 ( -0.000 -0.683 3.659) 3.722 3.079 ( 0.000 -1.797 -0.344) 1.830 3.123 ( -0.000 -0.815 0.903) 1.216 3.302 ( -0.000 -7.176 1.319) 7.296 3.413 ( -0.000 -5.685 0.592) 5.716 3.714 ( -0.000 -0.836 0.033) 0.836 3.773 ( -0.000 -2.693 0.076) 2.694 ======================= Grid point 920 (222/231) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( -0.000 0.000 9.727) 9.727 0.417 ( -0.000 0.000 9.727) 9.727 0.533 ( -0.000 0.000 21.352) 21.352 0.799 ( 0.000 -0.000 -7.477) 7.477 0.799 ( 0.000 -0.000 -7.477) 7.477 1.127 ( 0.000 -0.000 -16.434) 16.434 1.473 ( -0.000 0.000 0.302) 0.302 1.473 ( -0.000 0.000 0.302) 0.302 2.190 ( 0.000 -0.000 -2.427) 2.427 2.265 ( -0.000 0.000 12.585) 12.585 2.265 ( -0.000 0.000 12.585) 12.585 2.723 ( 0.000 -0.000 -6.779) 6.779 2.723 ( 0.000 -0.000 -6.779) 6.779 3.101 ( 0.000 -0.000 -2.395) 2.395 3.101 ( 0.000 -0.000 -2.395) 2.395 3.295 ( 0.000 -0.000 -0.053) 0.053 3.295 ( 0.000 -0.000 -0.053) 0.053 3.340 ( -0.000 0.000 5.645) 5.645 3.525 ( 0.000 -0.000 -7.798) 7.798 4.032 ( 0.000 -0.000 -0.002) 0.002 4.208 ( 0.000 -0.000 -5.304) 5.304 ======================= Grid point 921 (223/231) ======================= q-point: ( 0.46 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 10.431 6.022 7.348) 14.109 0.577 ( 7.615 4.396 14.157) 16.665 0.744 ( 12.542 7.241 -2.320) 14.667 0.861 ( 5.681 3.280 -6.394) 9.160 0.894 ( 9.414 5.435 0.318) 10.875 1.163 ( 6.496 3.751 -10.980) 13.297 1.461 ( -1.095 -0.632 0.179) 1.277 1.490 ( 1.357 0.784 0.093) 1.570 2.142 ( -3.187 -1.840 -2.421) 4.404 2.328 ( 3.132 1.808 9.282) 9.961 2.635 ( 15.456 8.923 4.640) 18.440 2.692 ( -1.114 -0.643 -4.558) 4.736 2.778 ( 7.706 4.449 -7.988) 11.958 3.065 ( -2.073 -1.197 -1.837) 3.018 3.079 ( -1.758 -1.015 -2.246) 3.027 3.276 ( -1.559 -0.900 -0.142) 1.806 3.290 ( -0.997 -0.576 0.106) 1.156 3.351 ( -0.125 -0.072 0.634) 0.650 3.527 ( 1.040 0.601 -2.425) 2.706 3.989 ( -3.693 -2.132 0.627) 4.310 4.136 ( -4.947 -2.856 -4.921) 7.539 ======================= Grid point 922 (224/231) ======================= q-point: ( 0.54 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 6.516 3.762 9.739) 12.307 0.832 ( 10.052 5.803 4.393) 12.410 0.988 ( 10.565 6.100 -7.455) 14.297 1.016 ( 8.041 4.643 -4.367) 10.261 1.175 ( 11.704 6.757 -0.428) 13.521 1.403 ( 13.990 8.077 -1.984) 16.275 1.426 ( -1.802 -1.041 0.167) 2.088 1.530 ( 2.291 1.323 -0.219) 2.655 2.054 ( -3.605 -2.081 -1.949) 4.596 2.434 ( 4.680 2.702 4.766) 7.206 2.663 ( -0.783 -0.452 -1.626) 1.861 2.739 ( 0.198 0.114 0.766) 0.800 2.988 ( -0.359 -0.208 6.180) 6.194 3.017 ( -3.113 -1.797 -1.412) 3.862 3.021 ( 2.005 1.158 -9.943) 10.209 3.222 ( -4.290 -2.477 -0.854) 5.027 3.225 ( -2.631 -1.519 -0.510) 3.081 3.390 ( 3.689 2.130 -1.859) 4.647 3.540 ( -0.457 -0.264 2.275) 2.335 3.876 ( -5.788 -3.342 2.215) 7.041 3.986 ( -6.609 -3.816 -4.702) 8.964 ======================= Grid point 923 (225/231) ======================= q-point: ( 0.62 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 4.663 2.692 4.454) 6.988 1.020 ( 5.444 3.143 1.073) 6.377 1.183 ( 5.524 3.189 -0.862) 6.436 1.222 ( 9.727 5.616 -3.869) 11.879 1.367 ( 4.501 2.599 -1.306) 5.359 1.398 ( 0.390 0.225 -0.068) 0.456 1.543 ( 0.930 0.537 0.730) 1.299 1.766 ( 13.079 7.551 1.784) 15.207 2.001 ( 0.656 0.379 -2.516) 2.628 2.552 ( 4.716 2.723 2.245) 5.890 2.646 ( -0.643 -0.371 -0.964) 1.217 2.718 ( -2.037 -1.176 0.610) 2.430 2.911 ( -4.778 -2.759 4.514) 7.129 2.941 ( -2.997 -1.730 0.296) 3.473 3.003 ( -2.464 -1.423 -4.992) 5.746 3.130 ( -2.938 -1.696 -0.965) 3.527 3.162 ( -2.394 -1.382 -1.035) 2.952 3.424 ( -2.380 -1.374 -1.427) 3.096 3.506 ( -2.566 -1.482 0.490) 3.003 3.758 ( -3.975 -2.295 2.741) 5.346 3.847 ( -4.258 -2.459 -2.918) 5.718 ======================= Grid point 934 (226/231) ======================= q-point: ( 0.46 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( -0.000 12.881 1.382) 12.954 0.620 ( -0.000 13.669 9.464) 16.625 0.714 ( -0.000 9.664 0.818) 9.698 0.831 ( 0.000 5.638 -2.528) 6.179 0.904 ( 0.000 11.078 -0.961) 11.120 1.138 ( 0.000 7.461 -7.833) 10.818 1.461 ( -0.000 -1.246 0.177) 1.259 1.491 ( 0.000 1.598 -0.061) 1.600 2.139 ( 0.000 -3.580 -1.995) 4.098 2.332 ( -0.000 3.015 8.549) 9.065 2.662 ( -0.000 21.659 6.044) 22.487 2.699 ( 0.000 -0.565 -5.653) 5.682 2.730 ( 0.000 3.320 -5.459) 6.389 3.067 ( 0.000 -2.052 -2.063) 2.910 3.071 ( 0.000 -2.142 -1.009) 2.367 3.276 ( 0.000 -1.869 -0.047) 1.870 3.295 ( 0.000 -0.335 -0.642) 0.724 3.351 ( -0.000 -1.370 1.004) 1.699 3.530 ( 0.000 2.737 -3.196) 4.208 3.992 ( -0.000 -3.850 0.267) 3.859 4.126 ( 0.000 -6.127 -3.567) 7.090 ======================= Grid point 935 (227/231) ======================= q-point: ( 0.54 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 2.791 9.628 6.603) 12.004 0.805 ( 5.087 11.837 0.363) 12.889 0.880 ( 8.066 9.697 -4.166) 13.283 0.957 ( 5.366 7.453 -2.908) 9.633 1.088 ( 6.634 10.953 1.133) 12.855 1.300 ( 7.591 12.518 -1.584) 14.725 1.444 ( -0.550 -0.960 0.047) 1.107 1.514 ( 0.849 1.616 -0.230) 1.840 2.075 ( -2.315 -3.756 -1.464) 4.649 2.408 ( 2.679 3.812 4.260) 6.314 2.658 ( -1.171 -0.988 -2.463) 2.901 2.745 ( 0.423 1.058 0.644) 1.309 2.944 ( 5.966 7.316 2.546) 9.777 3.027 ( -1.807 -1.788 -2.651) 3.673 3.038 ( -0.744 -1.281 -2.338) 2.768 3.233 ( -1.826 -2.821 0.165) 3.364 3.260 ( -2.058 -3.421 -0.842) 4.081 3.362 ( 1.764 2.482 -0.371) 3.068 3.550 ( -0.117 0.906 -0.236) 0.943 3.918 ( -3.199 -4.865 0.663) 5.861 4.013 ( -3.926 -7.524 -2.449) 8.833 ======================= Grid point 936 (228/231) ======================= q-point: ( 0.62 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 2.315 6.892 4.718) 8.667 1.009 ( 4.901 9.062 2.390) 10.576 1.113 ( 6.722 7.780 -4.109) 11.072 1.140 ( 7.612 9.008 -1.761) 11.924 1.276 ( 5.488 2.358 -0.767) 6.022 1.437 ( -0.628 2.923 -0.185) 2.995 1.516 ( 2.685 0.671 0.151) 2.772 1.633 ( 10.950 10.640 0.225) 15.270 1.999 ( -1.707 -2.688 -0.345) 3.203 2.505 ( 3.730 3.277 0.487) 4.988 2.633 ( -0.039 -1.759 0.176) 1.768 2.749 ( -0.989 0.366 0.490) 1.163 2.958 ( -3.064 -2.239 -0.979) 3.919 2.977 ( -1.655 -1.413 1.748) 2.791 3.020 ( -1.774 -1.714 -1.800) 3.054 3.158 ( -3.435 -2.858 0.954) 4.569 3.188 ( -2.054 -2.290 -1.440) 3.397 3.430 ( 1.342 2.015 -1.290) 2.743 3.531 ( -1.782 -1.709 1.186) 2.739 3.803 ( -4.472 -4.752 3.190) 7.263 3.857 ( -3.659 -7.121 -3.312) 8.664 ======================= Grid point 948 (229/231) ======================= q-point: ( 0.54 0.54 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 0.000 6.254 -10.763) 12.448 0.857 ( 0.000 11.044 -4.440) 11.903 0.946 ( -0.000 13.436 7.502) 15.388 0.994 ( -0.000 9.669 3.537) 10.296 1.168 ( -0.000 12.810 1.774) 12.932 1.394 ( -0.000 16.896 1.250) 16.942 1.426 ( 0.000 -2.036 -0.109) 2.039 1.531 ( 0.000 2.733 -0.568) 2.791 2.051 ( 0.000 -4.125 -1.187) 4.293 2.439 ( -0.000 5.254 3.005) 6.053 2.667 ( 0.000 -0.869 -2.993) 3.116 2.743 ( 0.000 0.078 -0.497) 0.503 2.966 ( -0.000 2.174 9.390) 9.639 3.012 ( -0.000 -3.371 0.052) 3.371 3.026 ( 0.000 0.650 -7.170) 7.199 3.222 ( 0.000 -5.509 -0.974) 5.594 3.223 ( -0.000 -3.179 0.231) 3.188 3.381 ( -0.000 3.965 1.376) 4.197 3.554 ( 0.000 -0.291 -2.601) 2.617 3.889 ( 0.000 -5.951 -2.056) 6.296 3.967 ( -0.000 -8.127 1.560) 8.276 ======================= Grid point 1105 (230/231) ======================= q-point: ( 0.46 0.46 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( -0.000 0.000 3.931) 3.931 0.457 ( -0.000 0.000 3.931) 3.931 0.625 ( -0.000 0.000 9.868) 9.868 0.767 ( 0.000 -0.000 -3.238) 3.238 0.767 ( 0.000 -0.000 -3.238) 3.238 1.052 ( 0.000 -0.000 -8.340) 8.340 1.474 ( -0.000 0.000 0.102) 0.102 1.474 ( -0.000 0.000 0.102) 0.102 2.181 ( 0.000 -0.000 -0.915) 0.915 2.317 ( -0.000 0.000 5.304) 5.304 2.317 ( -0.000 0.000 5.304) 5.304 2.693 ( 0.000 -0.000 -3.216) 3.216 2.693 ( 0.000 -0.000 -3.216) 3.216 3.092 ( 0.000 -0.000 -0.866) 0.866 3.092 ( 0.000 -0.000 -0.866) 0.866 3.294 ( 0.000 -0.000 -0.018) 0.018 3.294 ( 0.000 -0.000 -0.018) 0.018 3.373 ( -0.000 0.000 4.701) 4.701 3.486 ( 0.000 -0.000 -5.063) 5.063 4.034 ( -0.000 0.000 0.218) 0.218 4.185 ( 0.000 -0.000 -2.426) 2.426 ======================= Grid point 1106 (231/231) ======================= q-point: ( 0.54 0.46 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.94e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 10.275 5.932 4.202) 12.586 0.637 ( 9.876 5.702 5.314) 12.581 0.720 ( 7.751 4.475 -4.018) 9.811 0.833 ( 5.609 3.238 -3.079) 7.171 0.902 ( 10.510 6.068 1.134) 12.189 1.121 ( 7.551 4.359 -2.718) 9.132 1.461 ( -1.094 -0.632 -0.005) 1.263 1.491 ( 1.326 0.765 0.089) 1.533 2.134 ( -3.276 -1.892 -0.225) 3.790 2.356 ( 2.698 1.558 0.356) 3.136 2.666 ( 17.345 10.014 5.078) 20.663 2.680 ( -0.682 -0.394 0.733) 1.076 2.733 ( 5.227 3.018 -7.074) 9.299 3.061 ( -2.161 -1.248 0.253) 2.508 3.070 ( -1.796 -1.037 -0.774) 2.213 3.275 ( -1.603 -0.926 -0.037) 1.852 3.292 ( -0.759 -0.438 0.479) 0.998 3.354 ( -1.407 -0.812 0.064) 1.626 3.520 ( 2.402 1.387 0.223) 2.783 3.992 ( -3.467 -2.002 0.377) 4.021 4.118 ( -5.109 -2.950 -1.134) 6.007 =================== 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 3/46137 10.0 81.092 81.092 20.768 0.000 -0.000 0.000 3/46137 20.0 28.229 28.229 6.834 0.000 -0.000 0.000 3/46137 30.0 14.299 14.299 3.679 0.000 -0.000 0.000 3/46137 40.0 9.337 9.337 2.508 0.000 -0.000 0.000 3/46137 50.0 6.977 6.977 1.928 0.000 -0.000 0.000 3/46137 60.0 5.616 5.616 1.580 0.000 -0.000 0.000 3/46137 70.0 4.727 4.727 1.347 0.000 -0.000 0.000 3/46137 80.0 4.095 4.095 1.177 0.000 -0.000 0.000 3/46137 90.0 3.620 3.620 1.047 0.000 -0.000 0.000 3/46137 100.0 3.249 3.249 0.944 0.000 -0.000 0.000 3/46137 110.0 2.949 2.949 0.859 0.000 -0.000 0.000 3/46137 120.0 2.701 2.701 0.789 0.000 -0.000 0.000 3/46137 130.0 2.493 2.493 0.730 0.000 -0.000 0.000 3/46137 140.0 2.315 2.315 0.679 0.000 -0.000 0.000 3/46137 150.0 2.161 2.161 0.635 0.000 -0.000 0.000 3/46137 160.0 2.027 2.027 0.596 0.000 -0.000 0.000 3/46137 170.0 1.909 1.909 0.562 0.000 -0.000 0.000 3/46137 180.0 1.803 1.803 0.532 0.000 -0.000 0.000 3/46137 190.0 1.709 1.709 0.504 0.000 -0.000 0.000 3/46137 200.0 1.625 1.625 0.480 0.000 -0.000 0.000 3/46137 210.0 1.548 1.548 0.457 0.000 -0.000 0.000 3/46137 220.0 1.479 1.479 0.437 0.000 -0.000 0.000 3/46137 230.0 1.415 1.415 0.418 0.000 -0.000 0.000 3/46137 240.0 1.357 1.357 0.401 0.000 -0.000 0.000 3/46137 250.0 1.303 1.303 0.385 0.000 -0.000 0.000 3/46137 260.0 1.253 1.253 0.371 0.000 -0.000 0.000 3/46137 270.0 1.207 1.207 0.357 0.000 -0.000 0.000 3/46137 280.0 1.165 1.165 0.345 0.000 -0.000 0.000 3/46137 290.0 1.125 1.125 0.333 0.000 -0.000 0.000 3/46137 300.0 1.088 1.088 0.322 0.000 -0.000 0.000 3/46137 310.0 1.053 1.053 0.312 0.000 -0.000 0.000 3/46137 320.0 1.021 1.021 0.302 0.000 -0.000 0.000 3/46137 330.0 0.990 0.990 0.293 0.000 -0.000 0.000 3/46137 340.0 0.961 0.961 0.285 0.000 -0.000 0.000 3/46137 350.0 0.934 0.934 0.277 0.000 -0.000 0.000 3/46137 360.0 0.908 0.908 0.269 0.000 -0.000 0.000 3/46137 370.0 0.884 0.884 0.262 0.000 -0.000 0.000 3/46137 380.0 0.861 0.861 0.255 0.000 -0.000 0.000 3/46137 390.0 0.839 0.839 0.249 0.000 -0.000 0.000 3/46137 400.0 0.818 0.818 0.243 0.000 -0.000 0.000 3/46137 410.0 0.798 0.798 0.237 0.000 -0.000 0.000 3/46137 420.0 0.780 0.780 0.231 0.000 -0.000 0.000 3/46137 430.0 0.762 0.762 0.226 0.000 -0.000 0.000 3/46137 440.0 0.744 0.744 0.221 0.000 -0.000 0.000 3/46137 450.0 0.728 0.728 0.216 0.000 -0.000 0.000 3/46137 460.0 0.712 0.712 0.211 0.000 -0.000 0.000 3/46137 470.0 0.697 0.697 0.207 0.000 -0.000 0.000 3/46137 480.0 0.683 0.683 0.203 0.000 -0.000 0.000 3/46137 490.0 0.669 0.669 0.199 0.000 -0.000 0.000 3/46137 500.0 0.656 0.656 0.195 0.000 -0.000 0.000 3/46137 510.0 0.643 0.643 0.191 0.000 -0.000 0.000 3/46137 520.0 0.631 0.631 0.187 0.000 -0.000 0.000 3/46137 530.0 0.619 0.619 0.184 0.000 -0.000 0.000 3/46137 540.0 0.607 0.607 0.180 0.000 -0.000 0.000 3/46137 550.0 0.597 0.597 0.177 0.000 -0.000 0.000 3/46137 560.0 0.586 0.586 0.174 0.000 -0.000 0.000 3/46137 570.0 0.576 0.576 0.171 0.000 -0.000 0.000 3/46137 580.0 0.566 0.566 0.168 0.000 -0.000 0.000 3/46137 590.0 0.556 0.556 0.165 0.000 -0.000 0.000 3/46137 600.0 0.547 0.547 0.163 0.000 -0.000 0.000 3/46137 610.0 0.538 0.538 0.160 0.000 -0.000 0.000 3/46137 620.0 0.530 0.530 0.157 0.000 -0.000 0.000 3/46137 630.0 0.521 0.521 0.155 0.000 -0.000 0.000 3/46137 640.0 0.513 0.513 0.153 0.000 -0.000 0.000 3/46137 650.0 0.505 0.505 0.150 0.000 -0.000 0.000 3/46137 660.0 0.498 0.498 0.148 0.000 -0.000 0.000 3/46137 670.0 0.490 0.490 0.146 0.000 -0.000 0.000 3/46137 680.0 0.483 0.483 0.144 0.000 -0.000 0.000 3/46137 690.0 0.476 0.476 0.142 0.000 -0.000 0.000 3/46137 700.0 0.469 0.469 0.140 0.000 -0.000 0.000 3/46137 710.0 0.463 0.463 0.138 0.000 -0.000 0.000 3/46137 720.0 0.456 0.456 0.136 0.000 -0.000 0.000 3/46137 730.0 0.450 0.450 0.134 0.000 -0.000 0.000 3/46137 740.0 0.444 0.444 0.132 0.000 -0.000 0.000 3/46137 750.0 0.438 0.438 0.130 0.000 -0.000 0.000 3/46137 760.0 0.433 0.433 0.129 0.000 -0.000 0.000 3/46137 770.0 0.427 0.427 0.127 0.000 -0.000 0.000 3/46137 780.0 0.422 0.422 0.125 0.000 -0.000 0.000 3/46137 790.0 0.416 0.416 0.124 0.000 -0.000 0.000 3/46137 800.0 0.411 0.411 0.122 0.000 -0.000 0.000 3/46137 810.0 0.406 0.406 0.121 0.000 -0.000 0.000 3/46137 820.0 0.401 0.401 0.119 0.000 -0.000 0.000 3/46137 830.0 0.396 0.396 0.118 0.000 -0.000 0.000 3/46137 840.0 0.392 0.392 0.116 0.000 -0.000 0.000 3/46137 850.0 0.387 0.387 0.115 0.000 -0.000 0.000 3/46137 860.0 0.383 0.383 0.114 0.000 -0.000 0.000 3/46137 870.0 0.378 0.378 0.112 0.000 -0.000 0.000 3/46137 880.0 0.374 0.374 0.111 0.000 -0.000 0.000 3/46137 890.0 0.370 0.370 0.110 0.000 -0.000 0.000 3/46137 900.0 0.366 0.366 0.109 0.000 -0.000 0.000 3/46137 910.0 0.362 0.362 0.108 0.000 -0.000 0.000 3/46137 920.0 0.358 0.358 0.106 0.000 -0.000 0.000 3/46137 930.0 0.354 0.354 0.105 0.000 -0.000 0.000 3/46137 940.0 0.350 0.350 0.104 0.000 -0.000 0.000 3/46137 950.0 0.346 0.346 0.103 0.000 -0.000 0.000 3/46137 960.0 0.343 0.343 0.102 0.000 -0.000 0.000 3/46137 970.0 0.339 0.339 0.101 0.000 -0.000 0.000 3/46137 980.0 0.336 0.336 0.100 0.000 -0.000 0.000 3/46137 990.0 0.333 0.333 0.099 0.000 -0.000 0.000 3/46137 1000.0 0.329 0.329 0.098 0.000 -0.000 0.000 3/46137 Thermal conductivity related properties were written into "kappa-m131313.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:42:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|