----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:02:04]------------------------- 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 1.859837220249491 1.073777519759927 10.221359583333323 b -1.859837220249487 1.073777519759927 10.221359583333323 c 0.000000000000002 -2.147555039519857 10.221359583333323 Atomic positions (fractional): *1 Tb 0.88507314808091 0.88507314808091 0.88507314808091 158.925 2 Tb 0.11492685191909 0.11492685191909 0.11492685191909 158.925 *3 H 0.81294490816699 0.81294490816699 0.81294490816700 1.008 4 H 0.18705509183301 0.18705509183301 0.18705509183301 1.008 *5 H 0.54483712795878 0.54483712795878 0.54483712795878 1.008 6 H 0.45516287204122 0.45516287204122 0.45516287204122 1.008 *7 Br 0.71914262799318 0.71914262799318 0.71914262799318 79.904 8 Br 0.28085737200682 0.28085737200683 0.28085737200682 79.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.719674440498979 0.000000000000000 0.000000000000000 b -1.859837220249489 3.221332559279784 0.000000000000000 c 0.000000000000000 0.000000000000000 30.664078750000002 Atomic positions (fractional): *1 Tb 0.66666666666667 0.33333333333333 0.21840648141424 158.925 > 1 2 Tb 0.00000000000000 0.00000000000000 0.11492685191909 158.925 > 2 3 Tb 0.33333333333333 0.66666666666667 0.55173981474757 158.925 > 1 4 Tb 0.66666666666667 0.33333333333333 0.44826018525243 158.925 > 2 5 Tb 0.00000000000000 0.00000000000000 0.88507314808091 158.925 > 1 6 Tb 0.33333333333333 0.66666666666667 0.78159351858576 158.925 > 2 *7 H 0.66666666666667 0.33333333333333 0.14627824150033 1.008 > 3 8 H 0.00000000000000 0.00000000000000 0.18705509183301 1.008 > 4 *9 H 0.33333333333333 0.66666666666667 0.21150379462545 1.008 > 5 10 H 0.33333333333333 0.66666666666667 0.12182953870789 1.008 > 6 11 H 0.33333333333333 0.66666666666667 0.47961157483366 1.008 > 3 12 H 0.66666666666667 0.33333333333333 0.52038842516634 1.008 > 4 13 H 0.00000000000000 0.00000000000000 0.54483712795878 1.008 > 5 14 H 0.00000000000000 0.00000000000000 0.45516287204122 1.008 > 6 15 H 0.00000000000000 0.00000000000000 0.81294490816700 1.008 > 3 16 H 0.33333333333333 0.66666666666667 0.85372175849967 1.008 > 4 17 H 0.66666666666667 0.33333333333333 0.87817046129211 1.008 > 5 18 H 0.66666666666667 0.33333333333333 0.78849620537455 1.008 > 6 *19 Br 0.66666666666667 0.33333333333333 0.05247596132651 79.904 > 7 20 Br 0.00000000000000 0.00000000000000 0.28085737200682 79.904 > 8 21 Br 0.33333333333333 0.66666666666667 0.38580929465984 79.904 > 7 22 Br 0.66666666666667 0.33333333333333 0.61419070534016 79.904 > 8 23 Br 0.00000000000000 0.00000000000000 0.71914262799317 79.904 > 7 24 Br 0.33333333333333 0.66666666666667 0.94752403867349 79.904 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.439348880997958 0.000000000000000 0.000000000000000 b -3.719674440498978 6.442665118559568 0.000000000000000 c 0.000000000000000 0.000000000000000 30.664078750000002 Atomic positions (fractional): *1 Tb 0.33333333333333 0.16666666666667 0.21840648141424 158.925 > 1 2 Tb 0.83333333333333 0.16666666666667 0.21840648141424 158.925 > 1 3 Tb 0.33333333333333 0.66666666666667 0.21840648141424 158.925 > 1 4 Tb 0.83333333333333 0.66666666666667 0.21840648141424 158.925 > 1 5 Tb 0.00000000000000 0.00000000000000 0.11492685191909 158.925 > 2 6 Tb 0.50000000000000 0.00000000000000 0.11492685191909 158.925 > 2 7 Tb 0.00000000000000 0.50000000000000 0.11492685191909 158.925 > 2 8 Tb 0.50000000000000 0.50000000000000 0.11492685191909 158.925 > 2 9 Tb 0.16666666666667 0.33333333333333 0.55173981474757 158.925 > 1 10 Tb 0.66666666666667 0.33333333333333 0.55173981474757 158.925 > 1 11 Tb 0.16666666666667 0.83333333333333 0.55173981474757 158.925 > 1 12 Tb 0.66666666666667 0.83333333333333 0.55173981474757 158.925 > 1 13 Tb 0.33333333333333 0.16666666666667 0.44826018525243 158.925 > 2 14 Tb 0.83333333333333 0.16666666666667 0.44826018525243 158.925 > 2 15 Tb 0.33333333333333 0.66666666666667 0.44826018525243 158.925 > 2 16 Tb 0.83333333333333 0.66666666666667 0.44826018525243 158.925 > 2 17 Tb 0.00000000000000 0.00000000000000 0.88507314808091 158.925 > 1 18 Tb 0.50000000000000 0.00000000000000 0.88507314808091 158.925 > 1 19 Tb 0.00000000000000 0.50000000000000 0.88507314808091 158.925 > 1 20 Tb 0.50000000000000 0.50000000000000 0.88507314808091 158.925 > 1 21 Tb 0.16666666666667 0.33333333333333 0.78159351858576 158.925 > 2 22 Tb 0.66666666666667 0.33333333333333 0.78159351858576 158.925 > 2 23 Tb 0.16666666666667 0.83333333333333 0.78159351858576 158.925 > 2 24 Tb 0.66666666666667 0.83333333333333 0.78159351858576 158.925 > 2 *25 H 0.33333333333333 0.16666666666667 0.14627824150033 1.008 > 3 26 H 0.83333333333333 0.16666666666667 0.14627824150033 1.008 > 3 27 H 0.33333333333333 0.66666666666667 0.14627824150033 1.008 > 3 28 H 0.83333333333333 0.66666666666667 0.14627824150033 1.008 > 3 29 H 0.00000000000000 0.00000000000000 0.18705509183301 1.008 > 4 30 H 0.50000000000000 0.00000000000000 0.18705509183301 1.008 > 4 31 H 0.00000000000000 0.50000000000000 0.18705509183301 1.008 > 4 32 H 0.50000000000000 0.50000000000000 0.18705509183301 1.008 > 4 *33 H 0.16666666666667 0.33333333333333 0.21150379462545 1.008 > 5 34 H 0.66666666666667 0.33333333333333 0.21150379462545 1.008 > 5 35 H 0.16666666666667 0.83333333333333 0.21150379462545 1.008 > 5 36 H 0.66666666666667 0.83333333333333 0.21150379462545 1.008 > 5 37 H 0.16666666666667 0.33333333333333 0.12182953870789 1.008 > 6 38 H 0.66666666666667 0.33333333333333 0.12182953870789 1.008 > 6 39 H 0.16666666666667 0.83333333333333 0.12182953870789 1.008 > 6 40 H 0.66666666666667 0.83333333333333 0.12182953870789 1.008 > 6 41 H 0.16666666666667 0.33333333333333 0.47961157483366 1.008 > 3 42 H 0.66666666666667 0.33333333333333 0.47961157483366 1.008 > 3 43 H 0.16666666666667 0.83333333333333 0.47961157483366 1.008 > 3 44 H 0.66666666666667 0.83333333333333 0.47961157483366 1.008 > 3 45 H 0.33333333333333 0.16666666666667 0.52038842516634 1.008 > 4 46 H 0.83333333333333 0.16666666666667 0.52038842516634 1.008 > 4 47 H 0.33333333333333 0.66666666666667 0.52038842516634 1.008 > 4 48 H 0.83333333333333 0.66666666666667 0.52038842516634 1.008 > 4 49 H 0.00000000000000 0.00000000000000 0.54483712795878 1.008 > 5 50 H 0.50000000000000 0.00000000000000 0.54483712795878 1.008 > 5 51 H 0.00000000000000 0.50000000000000 0.54483712795878 1.008 > 5 52 H 0.50000000000000 0.50000000000000 0.54483712795878 1.008 > 5 53 H 0.00000000000000 0.00000000000000 0.45516287204122 1.008 > 6 54 H 0.50000000000000 0.00000000000000 0.45516287204122 1.008 > 6 55 H 0.00000000000000 0.50000000000000 0.45516287204122 1.008 > 6 56 H 0.50000000000000 0.50000000000000 0.45516287204122 1.008 > 6 57 H 0.00000000000000 0.00000000000000 0.81294490816700 1.008 > 3 58 H 0.50000000000000 0.00000000000000 0.81294490816700 1.008 > 3 59 H 0.00000000000000 0.50000000000000 0.81294490816700 1.008 > 3 60 H 0.50000000000000 0.50000000000000 0.81294490816700 1.008 > 3 61 H 0.16666666666667 0.33333333333333 0.85372175849967 1.008 > 4 62 H 0.66666666666667 0.33333333333333 0.85372175849967 1.008 > 4 63 H 0.16666666666667 0.83333333333333 0.85372175849967 1.008 > 4 64 H 0.66666666666667 0.83333333333333 0.85372175849967 1.008 > 4 65 H 0.33333333333333 0.16666666666667 0.87817046129211 1.008 > 5 66 H 0.83333333333333 0.16666666666667 0.87817046129211 1.008 > 5 67 H 0.33333333333333 0.66666666666667 0.87817046129211 1.008 > 5 68 H 0.83333333333333 0.66666666666667 0.87817046129211 1.008 > 5 69 H 0.33333333333333 0.16666666666667 0.78849620537455 1.008 > 6 70 H 0.83333333333333 0.16666666666667 0.78849620537455 1.008 > 6 71 H 0.33333333333333 0.66666666666667 0.78849620537455 1.008 > 6 72 H 0.83333333333333 0.66666666666667 0.78849620537455 1.008 > 6 *73 Br 0.33333333333333 0.16666666666667 0.05247596132651 79.904 > 7 74 Br 0.83333333333333 0.16666666666667 0.05247596132651 79.904 > 7 75 Br 0.33333333333333 0.66666666666667 0.05247596132651 79.904 > 7 76 Br 0.83333333333333 0.66666666666667 0.05247596132651 79.904 > 7 77 Br 0.00000000000000 0.00000000000000 0.28085737200682 79.904 > 8 78 Br 0.50000000000000 0.00000000000000 0.28085737200682 79.904 > 8 79 Br 0.00000000000000 0.50000000000000 0.28085737200682 79.904 > 8 80 Br 0.50000000000000 0.50000000000000 0.28085737200682 79.904 > 8 81 Br 0.16666666666667 0.33333333333333 0.38580929465984 79.904 > 7 82 Br 0.66666666666667 0.33333333333333 0.38580929465984 79.904 > 7 83 Br 0.16666666666667 0.83333333333333 0.38580929465984 79.904 > 7 84 Br 0.66666666666667 0.83333333333333 0.38580929465984 79.904 > 7 85 Br 0.33333333333333 0.16666666666667 0.61419070534016 79.904 > 8 86 Br 0.83333333333333 0.16666666666667 0.61419070534016 79.904 > 8 87 Br 0.33333333333333 0.66666666666667 0.61419070534016 79.904 > 8 88 Br 0.83333333333333 0.66666666666667 0.61419070534016 79.904 > 8 89 Br 0.00000000000000 0.00000000000000 0.71914262799317 79.904 > 7 90 Br 0.50000000000000 0.00000000000000 0.71914262799317 79.904 > 7 91 Br 0.00000000000000 0.50000000000000 0.71914262799317 79.904 > 7 92 Br 0.50000000000000 0.50000000000000 0.71914262799317 79.904 > 7 93 Br 0.16666666666667 0.33333333333333 0.94752403867349 79.904 > 8 94 Br 0.66666666666667 0.33333333333333 0.94752403867349 79.904 > 8 95 Br 0.16666666666667 0.83333333333333 0.94752403867349 79.904 > 8 96 Br 0.66666666666667 0.83333333333333 0.94752403867349 79.904 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.4924909 -0.0000000 0.0000000 0.0000000 7.4924909 0.0000000 0.0000000 0.0000000 4.4852697 -------------------------- Born effective charges -------------------------- 1 Tb 3.9508746 -0.0000000 0.0000000 0.0000000 3.9508746 0.0000000 0.0000000 0.0000000 1.8083300 2 Tb 3.9508746 -0.0000000 0.0000000 0.0000000 3.9508746 0.0000000 0.0000000 0.0000000 1.8083300 3 H -1.3277352 0.0000000 0.0000000 0.0000000 -1.3277352 0.0000000 0.0000000 0.0000000 -0.7435440 4 H -1.3277352 0.0000000 0.0000000 0.0000000 -1.3277352 0.0000000 0.0000000 0.0000000 -0.7435440 5 H -1.5309936 0.0000000 0.0000000 -0.0000000 -1.5309936 0.0000000 0.0000000 0.0000000 -0.2908186 6 H -1.5309936 0.0000000 0.0000000 -0.0000000 -1.5309936 0.0000000 0.0000000 0.0000000 -0.2908186 7 Br -1.0921458 -0.0000000 0.0000000 0.0000000 -1.0921458 0.0000000 0.0000000 0.0000000 -0.7739674 8 Br -1.0921458 -0.0000000 0.0000000 0.0000000 -1.0921458 0.0000000 0.0000000 0.0000000 -0.7739674 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 4416/4416 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 376 Number of blocks in projector: 512 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: 168 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 112 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 96 Use standard eigh solver. Tree of FC basis block matrices: - (376, 368), data: False |-- (96, 96), data: True |-- (112, 108), data: True |-- (168, 164), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 80 / 80 - Time: 0.207 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.213 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 4416/4416 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 376 Number of blocks in projector: 512 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: 168 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 112 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 96 Use standard eigh solver. Tree of FC basis block matrices: - (376, 368), data: False |-- (96, 96), data: True |-- (112, 108), data: True |-- (168, 164), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) 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 21:02:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:02:08]------------------------- 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 1.859837220249491 1.073777519759927 10.221359583333323 b -1.859837220249487 1.073777519759927 10.221359583333323 c 0.000000000000002 -2.147555039519857 10.221359583333323 Atomic positions (fractional): 1 Tb 0.88507314808091 0.88507314808091 0.88507314808091 158.925 2 Tb 0.11492685191909 0.11492685191909 0.11492685191909 158.925 3 H 0.81294490816699 0.81294490816699 0.81294490816700 1.008 4 H 0.18705509183301 0.18705509183301 0.18705509183301 1.008 5 H 0.54483712795878 0.54483712795878 0.54483712795878 1.008 6 H 0.45516287204122 0.45516287204122 0.45516287204122 1.008 7 Br 0.71914262799318 0.71914262799318 0.71914262799318 79.904 8 Br 0.28085737200682 0.28085737200683 0.28085737200682 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.439348880997958 0.000000000000000 0.000000000000000 b -3.719674440498978 6.442665118559568 0.000000000000000 c 0.000000000000000 0.000000000000000 30.664078750000002 Atomic positions (fractional): 1 Tb 0.33333333333333 0.16666666666667 0.21840648141424 158.925 > 1 2 Tb 0.83333333333333 0.16666666666667 0.21840648141424 158.925 > 1 3 Tb 0.33333333333333 0.66666666666667 0.21840648141424 158.925 > 1 4 Tb 0.83333333333333 0.66666666666667 0.21840648141424 158.925 > 1 5 Tb 0.00000000000000 0.00000000000000 0.11492685191909 158.925 > 5 6 Tb 0.50000000000000 0.00000000000000 0.11492685191909 158.925 > 5 7 Tb 0.00000000000000 0.50000000000000 0.11492685191909 158.925 > 5 8 Tb 0.50000000000000 0.50000000000000 0.11492685191909 158.925 > 5 9 Tb 0.16666666666667 0.33333333333333 0.55173981474757 158.925 > 1 10 Tb 0.66666666666667 0.33333333333333 0.55173981474757 158.925 > 1 11 Tb 0.16666666666667 0.83333333333333 0.55173981474757 158.925 > 1 12 Tb 0.66666666666667 0.83333333333333 0.55173981474757 158.925 > 1 13 Tb 0.33333333333333 0.16666666666667 0.44826018525243 158.925 > 5 14 Tb 0.83333333333333 0.16666666666667 0.44826018525243 158.925 > 5 15 Tb 0.33333333333333 0.66666666666667 0.44826018525243 158.925 > 5 16 Tb 0.83333333333333 0.66666666666667 0.44826018525243 158.925 > 5 17 Tb 0.00000000000000 0.00000000000000 0.88507314808091 158.925 > 1 18 Tb 0.50000000000000 0.00000000000000 0.88507314808091 158.925 > 1 19 Tb 0.00000000000000 0.50000000000000 0.88507314808091 158.925 > 1 20 Tb 0.50000000000000 0.50000000000000 0.88507314808091 158.925 > 1 21 Tb 0.16666666666667 0.33333333333333 0.78159351858576 158.925 > 5 22 Tb 0.66666666666667 0.33333333333333 0.78159351858576 158.925 > 5 23 Tb 0.16666666666667 0.83333333333333 0.78159351858576 158.925 > 5 24 Tb 0.66666666666667 0.83333333333333 0.78159351858576 158.925 > 5 25 H 0.33333333333333 0.16666666666667 0.14627824150033 1.008 > 25 26 H 0.83333333333333 0.16666666666667 0.14627824150033 1.008 > 25 27 H 0.33333333333333 0.66666666666667 0.14627824150033 1.008 > 25 28 H 0.83333333333333 0.66666666666667 0.14627824150033 1.008 > 25 29 H 0.00000000000000 0.00000000000000 0.18705509183301 1.008 > 29 30 H 0.50000000000000 0.00000000000000 0.18705509183301 1.008 > 29 31 H 0.00000000000000 0.50000000000000 0.18705509183301 1.008 > 29 32 H 0.50000000000000 0.50000000000000 0.18705509183301 1.008 > 29 33 H 0.16666666666667 0.33333333333333 0.21150379462545 1.008 > 33 34 H 0.66666666666667 0.33333333333333 0.21150379462545 1.008 > 33 35 H 0.16666666666667 0.83333333333333 0.21150379462545 1.008 > 33 36 H 0.66666666666667 0.83333333333333 0.21150379462545 1.008 > 33 37 H 0.16666666666667 0.33333333333333 0.12182953870789 1.008 > 37 38 H 0.66666666666667 0.33333333333333 0.12182953870789 1.008 > 37 39 H 0.16666666666667 0.83333333333333 0.12182953870789 1.008 > 37 40 H 0.66666666666667 0.83333333333333 0.12182953870789 1.008 > 37 41 H 0.16666666666667 0.33333333333333 0.47961157483366 1.008 > 25 42 H 0.66666666666667 0.33333333333333 0.47961157483366 1.008 > 25 43 H 0.16666666666667 0.83333333333333 0.47961157483366 1.008 > 25 44 H 0.66666666666667 0.83333333333333 0.47961157483366 1.008 > 25 45 H 0.33333333333333 0.16666666666667 0.52038842516634 1.008 > 29 46 H 0.83333333333333 0.16666666666667 0.52038842516634 1.008 > 29 47 H 0.33333333333333 0.66666666666667 0.52038842516634 1.008 > 29 48 H 0.83333333333333 0.66666666666667 0.52038842516634 1.008 > 29 49 H 0.00000000000000 0.00000000000000 0.54483712795878 1.008 > 33 50 H 0.50000000000000 0.00000000000000 0.54483712795878 1.008 > 33 51 H 0.00000000000000 0.50000000000000 0.54483712795878 1.008 > 33 52 H 0.50000000000000 0.50000000000000 0.54483712795878 1.008 > 33 53 H 0.00000000000000 0.00000000000000 0.45516287204122 1.008 > 37 54 H 0.50000000000000 0.00000000000000 0.45516287204122 1.008 > 37 55 H 0.00000000000000 0.50000000000000 0.45516287204122 1.008 > 37 56 H 0.50000000000000 0.50000000000000 0.45516287204122 1.008 > 37 57 H 0.00000000000000 0.00000000000000 0.81294490816700 1.008 > 25 58 H 0.50000000000000 0.00000000000000 0.81294490816700 1.008 > 25 59 H 0.00000000000000 0.50000000000000 0.81294490816700 1.008 > 25 60 H 0.50000000000000 0.50000000000000 0.81294490816700 1.008 > 25 61 H 0.16666666666667 0.33333333333333 0.85372175849967 1.008 > 29 62 H 0.66666666666667 0.33333333333333 0.85372175849967 1.008 > 29 63 H 0.16666666666667 0.83333333333333 0.85372175849967 1.008 > 29 64 H 0.66666666666667 0.83333333333333 0.85372175849967 1.008 > 29 65 H 0.33333333333333 0.16666666666667 0.87817046129211 1.008 > 33 66 H 0.83333333333333 0.16666666666667 0.87817046129211 1.008 > 33 67 H 0.33333333333333 0.66666666666667 0.87817046129211 1.008 > 33 68 H 0.83333333333333 0.66666666666667 0.87817046129211 1.008 > 33 69 H 0.33333333333333 0.16666666666667 0.78849620537455 1.008 > 37 70 H 0.83333333333333 0.16666666666667 0.78849620537455 1.008 > 37 71 H 0.33333333333333 0.66666666666667 0.78849620537455 1.008 > 37 72 H 0.83333333333333 0.66666666666667 0.78849620537455 1.008 > 37 73 Br 0.33333333333333 0.16666666666667 0.05247596132651 79.904 > 73 74 Br 0.83333333333333 0.16666666666667 0.05247596132651 79.904 > 73 75 Br 0.33333333333333 0.66666666666667 0.05247596132651 79.904 > 73 76 Br 0.83333333333333 0.66666666666667 0.05247596132651 79.904 > 73 77 Br 0.00000000000000 0.00000000000000 0.28085737200682 79.904 > 77 78 Br 0.50000000000000 0.00000000000000 0.28085737200682 79.904 > 77 79 Br 0.00000000000000 0.50000000000000 0.28085737200682 79.904 > 77 80 Br 0.50000000000000 0.50000000000000 0.28085737200682 79.904 > 77 81 Br 0.16666666666667 0.33333333333333 0.38580929465984 79.904 > 73 82 Br 0.66666666666667 0.33333333333333 0.38580929465984 79.904 > 73 83 Br 0.16666666666667 0.83333333333333 0.38580929465984 79.904 > 73 84 Br 0.66666666666667 0.83333333333333 0.38580929465984 79.904 > 73 85 Br 0.33333333333333 0.16666666666667 0.61419070534016 79.904 > 77 86 Br 0.83333333333333 0.16666666666667 0.61419070534016 79.904 > 77 87 Br 0.33333333333333 0.66666666666667 0.61419070534016 79.904 > 77 88 Br 0.83333333333333 0.66666666666667 0.61419070534016 79.904 > 77 89 Br 0.00000000000000 0.00000000000000 0.71914262799317 79.904 > 73 90 Br 0.50000000000000 0.00000000000000 0.71914262799317 79.904 > 73 91 Br 0.00000000000000 0.50000000000000 0.71914262799317 79.904 > 73 92 Br 0.50000000000000 0.50000000000000 0.71914262799317 79.904 > 73 93 Br 0.16666666666667 0.33333333333333 0.94752403867349 79.904 > 77 94 Br 0.66666666666667 0.33333333333333 0.94752403867349 79.904 > 77 95 Br 0.16666666666667 0.83333333333333 0.94752403867349 79.904 > 77 96 Br 0.66666666666667 0.83333333333333 0.94752403867349 79.904 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.4924909 -0.0000000 0.0000000 0.0000000 7.4924909 0.0000000 0.0000000 0.0000000 4.4852697 -------------------------- Born effective charges -------------------------- 1 Tb 3.9508746 -0.0000000 0.0000000 0.0000000 3.9508746 0.0000000 0.0000000 0.0000000 1.8083300 2 Tb 3.9508746 -0.0000000 0.0000000 0.0000000 3.9508746 0.0000000 0.0000000 0.0000000 1.8083300 3 H -1.3277352 0.0000000 0.0000000 0.0000000 -1.3277352 0.0000000 0.0000000 0.0000000 -0.7435440 4 H -1.3277352 0.0000000 0.0000000 0.0000000 -1.3277352 0.0000000 0.0000000 0.0000000 -0.7435440 5 H -1.5309936 0.0000000 0.0000000 -0.0000000 -1.5309936 0.0000000 0.0000000 0.0000000 -0.2908186 6 H -1.5309936 0.0000000 0.0000000 -0.0000000 -1.5309936 0.0000000 0.0000000 0.0000000 -0.2908186 7 Br -1.0921458 -0.0000000 0.0000000 0.0000000 -1.0921458 0.0000000 0.0000000 0.0000000 -0.7739674 8 Br -1.0921458 -0.0000000 0.0000000 0.0000000 -1.0921458 0.0000000 0.0000000 0.0000000 -0.7739674 ---------------------------------------------------------------------------- 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: 0.00000015 (xzx) 0.00000015 (xzx) 0.00000015 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) 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 21:02:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:02:15]------------------------- 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 1.859837220249491 1.073777519759927 10.221359583333323 b -1.859837220249487 1.073777519759927 10.221359583333323 c 0.000000000000002 -2.147555039519857 10.221359583333323 Atomic positions (fractional): 1 Tb 0.88507314808091 0.88507314808091 0.88507314808091 158.925 2 Tb 0.11492685191909 0.11492685191909 0.11492685191909 158.925 3 H 0.81294490816699 0.81294490816699 0.81294490816700 1.008 4 H 0.18705509183301 0.18705509183301 0.18705509183301 1.008 5 H 0.54483712795878 0.54483712795878 0.54483712795878 1.008 6 H 0.45516287204122 0.45516287204122 0.45516287204122 1.008 7 Br 0.71914262799318 0.71914262799318 0.71914262799318 79.904 8 Br 0.28085737200682 0.28085737200683 0.28085737200682 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.439348880997958 0.000000000000000 0.000000000000000 b -3.719674440498978 6.442665118559568 0.000000000000000 c 0.000000000000000 0.000000000000000 30.664078750000002 Atomic positions (fractional): 1 Tb 0.33333333333333 0.16666666666667 0.21840648141424 158.925 > 1 2 Tb 0.83333333333333 0.16666666666667 0.21840648141424 158.925 > 1 3 Tb 0.33333333333333 0.66666666666667 0.21840648141424 158.925 > 1 4 Tb 0.83333333333333 0.66666666666667 0.21840648141424 158.925 > 1 5 Tb 0.00000000000000 0.00000000000000 0.11492685191909 158.925 > 5 6 Tb 0.50000000000000 0.00000000000000 0.11492685191909 158.925 > 5 7 Tb 0.00000000000000 0.50000000000000 0.11492685191909 158.925 > 5 8 Tb 0.50000000000000 0.50000000000000 0.11492685191909 158.925 > 5 9 Tb 0.16666666666667 0.33333333333333 0.55173981474757 158.925 > 1 10 Tb 0.66666666666667 0.33333333333333 0.55173981474757 158.925 > 1 11 Tb 0.16666666666667 0.83333333333333 0.55173981474757 158.925 > 1 12 Tb 0.66666666666667 0.83333333333333 0.55173981474757 158.925 > 1 13 Tb 0.33333333333333 0.16666666666667 0.44826018525243 158.925 > 5 14 Tb 0.83333333333333 0.16666666666667 0.44826018525243 158.925 > 5 15 Tb 0.33333333333333 0.66666666666667 0.44826018525243 158.925 > 5 16 Tb 0.83333333333333 0.66666666666667 0.44826018525243 158.925 > 5 17 Tb 0.00000000000000 0.00000000000000 0.88507314808091 158.925 > 1 18 Tb 0.50000000000000 0.00000000000000 0.88507314808091 158.925 > 1 19 Tb 0.00000000000000 0.50000000000000 0.88507314808091 158.925 > 1 20 Tb 0.50000000000000 0.50000000000000 0.88507314808091 158.925 > 1 21 Tb 0.16666666666667 0.33333333333333 0.78159351858576 158.925 > 5 22 Tb 0.66666666666667 0.33333333333333 0.78159351858576 158.925 > 5 23 Tb 0.16666666666667 0.83333333333333 0.78159351858576 158.925 > 5 24 Tb 0.66666666666667 0.83333333333333 0.78159351858576 158.925 > 5 25 H 0.33333333333333 0.16666666666667 0.14627824150033 1.008 > 25 26 H 0.83333333333333 0.16666666666667 0.14627824150033 1.008 > 25 27 H 0.33333333333333 0.66666666666667 0.14627824150033 1.008 > 25 28 H 0.83333333333333 0.66666666666667 0.14627824150033 1.008 > 25 29 H 0.00000000000000 0.00000000000000 0.18705509183301 1.008 > 29 30 H 0.50000000000000 0.00000000000000 0.18705509183301 1.008 > 29 31 H 0.00000000000000 0.50000000000000 0.18705509183301 1.008 > 29 32 H 0.50000000000000 0.50000000000000 0.18705509183301 1.008 > 29 33 H 0.16666666666667 0.33333333333333 0.21150379462545 1.008 > 33 34 H 0.66666666666667 0.33333333333333 0.21150379462545 1.008 > 33 35 H 0.16666666666667 0.83333333333333 0.21150379462545 1.008 > 33 36 H 0.66666666666667 0.83333333333333 0.21150379462545 1.008 > 33 37 H 0.16666666666667 0.33333333333333 0.12182953870789 1.008 > 37 38 H 0.66666666666667 0.33333333333333 0.12182953870789 1.008 > 37 39 H 0.16666666666667 0.83333333333333 0.12182953870789 1.008 > 37 40 H 0.66666666666667 0.83333333333333 0.12182953870789 1.008 > 37 41 H 0.16666666666667 0.33333333333333 0.47961157483366 1.008 > 25 42 H 0.66666666666667 0.33333333333333 0.47961157483366 1.008 > 25 43 H 0.16666666666667 0.83333333333333 0.47961157483366 1.008 > 25 44 H 0.66666666666667 0.83333333333333 0.47961157483366 1.008 > 25 45 H 0.33333333333333 0.16666666666667 0.52038842516634 1.008 > 29 46 H 0.83333333333333 0.16666666666667 0.52038842516634 1.008 > 29 47 H 0.33333333333333 0.66666666666667 0.52038842516634 1.008 > 29 48 H 0.83333333333333 0.66666666666667 0.52038842516634 1.008 > 29 49 H 0.00000000000000 0.00000000000000 0.54483712795878 1.008 > 33 50 H 0.50000000000000 0.00000000000000 0.54483712795878 1.008 > 33 51 H 0.00000000000000 0.50000000000000 0.54483712795878 1.008 > 33 52 H 0.50000000000000 0.50000000000000 0.54483712795878 1.008 > 33 53 H 0.00000000000000 0.00000000000000 0.45516287204122 1.008 > 37 54 H 0.50000000000000 0.00000000000000 0.45516287204122 1.008 > 37 55 H 0.00000000000000 0.50000000000000 0.45516287204122 1.008 > 37 56 H 0.50000000000000 0.50000000000000 0.45516287204122 1.008 > 37 57 H 0.00000000000000 0.00000000000000 0.81294490816700 1.008 > 25 58 H 0.50000000000000 0.00000000000000 0.81294490816700 1.008 > 25 59 H 0.00000000000000 0.50000000000000 0.81294490816700 1.008 > 25 60 H 0.50000000000000 0.50000000000000 0.81294490816700 1.008 > 25 61 H 0.16666666666667 0.33333333333333 0.85372175849967 1.008 > 29 62 H 0.66666666666667 0.33333333333333 0.85372175849967 1.008 > 29 63 H 0.16666666666667 0.83333333333333 0.85372175849967 1.008 > 29 64 H 0.66666666666667 0.83333333333333 0.85372175849967 1.008 > 29 65 H 0.33333333333333 0.16666666666667 0.87817046129211 1.008 > 33 66 H 0.83333333333333 0.16666666666667 0.87817046129211 1.008 > 33 67 H 0.33333333333333 0.66666666666667 0.87817046129211 1.008 > 33 68 H 0.83333333333333 0.66666666666667 0.87817046129211 1.008 > 33 69 H 0.33333333333333 0.16666666666667 0.78849620537455 1.008 > 37 70 H 0.83333333333333 0.16666666666667 0.78849620537455 1.008 > 37 71 H 0.33333333333333 0.66666666666667 0.78849620537455 1.008 > 37 72 H 0.83333333333333 0.66666666666667 0.78849620537455 1.008 > 37 73 Br 0.33333333333333 0.16666666666667 0.05247596132651 79.904 > 73 74 Br 0.83333333333333 0.16666666666667 0.05247596132651 79.904 > 73 75 Br 0.33333333333333 0.66666666666667 0.05247596132651 79.904 > 73 76 Br 0.83333333333333 0.66666666666667 0.05247596132651 79.904 > 73 77 Br 0.00000000000000 0.00000000000000 0.28085737200682 79.904 > 77 78 Br 0.50000000000000 0.00000000000000 0.28085737200682 79.904 > 77 79 Br 0.00000000000000 0.50000000000000 0.28085737200682 79.904 > 77 80 Br 0.50000000000000 0.50000000000000 0.28085737200682 79.904 > 77 81 Br 0.16666666666667 0.33333333333333 0.38580929465984 79.904 > 73 82 Br 0.66666666666667 0.33333333333333 0.38580929465984 79.904 > 73 83 Br 0.16666666666667 0.83333333333333 0.38580929465984 79.904 > 73 84 Br 0.66666666666667 0.83333333333333 0.38580929465984 79.904 > 73 85 Br 0.33333333333333 0.16666666666667 0.61419070534016 79.904 > 77 86 Br 0.83333333333333 0.16666666666667 0.61419070534016 79.904 > 77 87 Br 0.33333333333333 0.66666666666667 0.61419070534016 79.904 > 77 88 Br 0.83333333333333 0.66666666666667 0.61419070534016 79.904 > 77 89 Br 0.00000000000000 0.00000000000000 0.71914262799317 79.904 > 73 90 Br 0.50000000000000 0.00000000000000 0.71914262799317 79.904 > 73 91 Br 0.00000000000000 0.50000000000000 0.71914262799317 79.904 > 73 92 Br 0.50000000000000 0.50000000000000 0.71914262799317 79.904 > 73 93 Br 0.16666666666667 0.33333333333333 0.94752403867349 79.904 > 77 94 Br 0.66666666666667 0.33333333333333 0.94752403867349 79.904 > 77 95 Br 0.16666666666667 0.83333333333333 0.94752403867349 79.904 > 77 96 Br 0.66666666666667 0.83333333333333 0.94752403867349 79.904 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.4924909 -0.0000000 0.0000000 0.0000000 7.4924909 0.0000000 0.0000000 0.0000000 4.4852697 -------------------------- Born effective charges -------------------------- 1 Tb 3.9508746 -0.0000000 0.0000000 0.0000000 3.9508746 0.0000000 0.0000000 0.0000000 1.8083300 2 Tb 3.9508746 -0.0000000 0.0000000 0.0000000 3.9508746 0.0000000 0.0000000 0.0000000 1.8083300 3 H -1.3277352 0.0000000 0.0000000 0.0000000 -1.3277352 0.0000000 0.0000000 0.0000000 -0.7435440 4 H -1.3277352 0.0000000 0.0000000 0.0000000 -1.3277352 0.0000000 0.0000000 0.0000000 -0.7435440 5 H -1.5309936 0.0000000 0.0000000 -0.0000000 -1.5309936 0.0000000 0.0000000 0.0000000 -0.2908186 6 H -1.5309936 0.0000000 0.0000000 -0.0000000 -1.5309936 0.0000000 0.0000000 0.0000000 -0.2908186 7 Br -1.0921458 -0.0000000 0.0000000 0.0000000 -1.0921458 0.0000000 0.0000000 0.0000000 -0.7739674 8 Br -1.0921458 -0.0000000 0.0000000 0.0000000 -1.0921458 0.0000000 0.0000000 0.0000000 -0.7739674 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000015 (xzx) 0.00000015 (xzx) 0.00000015 (xxz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 16 16 16 ] 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: 0.84, Number of G-points: 299, Lambda: 0.22 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/417) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.324 ( 0.000 0.000 0.000) 0.000 1.324 ( 0.000 0.000 0.000) 0.000 2.864 ( 0.000 0.000 0.000) 0.000 3.667 ( 0.000 0.000 0.000) 0.000 3.667 ( 0.000 0.000 0.000) 0.000 3.814 ( 0.000 0.000 0.000) 0.000 3.814 ( 0.000 0.000 0.000) 0.000 5.605 ( 0.000 0.000 0.000) 0.000 6.082 ( 0.000 0.000 0.000) 0.000 17.585 ( 0.000 0.000 0.000) 0.000 20.604 ( 0.000 0.000 0.000) 0.000 20.604 ( 0.000 0.000 0.000) 0.000 21.378 ( 0.000 0.000 0.000) 0.000 24.113 ( 0.000 0.000 0.000) 0.000 24.113 ( 0.000 0.000 0.000) 0.000 35.549 ( 0.000 0.000 0.000) 0.000 35.760 ( 0.000 0.000 0.000) 0.000 37.619 ( 0.000 0.000 0.000) 0.000 37.619 ( 0.000 0.000 0.000) 0.000 37.969 ( 0.000 0.000 0.000) 0.000 37.969 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/417) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( 16.074 9.280 2.558) 18.736 0.585 ( 25.518 14.733 0.826) 29.477 0.878 ( 38.528 22.244 -0.045) 44.488 1.419 ( 8.069 4.658 -0.510) 9.331 1.585 ( 20.510 11.842 0.214) 23.684 2.842 ( -1.666 -0.962 -0.552) 2.002 3.674 ( 0.576 0.333 0.428) 0.791 3.814 ( 0.016 0.009 -0.344) 0.344 3.875 ( 5.246 3.029 1.432) 6.224 3.974 ( 7.108 4.104 -3.057) 8.758 5.585 ( -1.858 -1.073 0.564) 2.219 6.030 ( -4.511 -2.604 0.373) 5.222 17.510 ( -6.670 -3.851 0.457) 7.715 20.679 ( 6.532 3.771 0.089) 7.543 21.168 ( -16.390 -9.463 -0.675) 18.937 24.219 ( 9.318 5.380 -0.000) 10.760 24.317 ( 17.132 9.891 2.421) 19.930 26.094 ( 33.746 19.483 -25.366) 46.495 35.514 ( -19.259 -11.119 4.589) 22.707 35.530 ( -2.182 -1.260 0.864) 2.663 37.606 ( -1.110 -0.641 -0.057) 1.283 37.852 ( 17.473 10.088 0.329) 20.178 37.957 ( -1.006 -0.581 0.075) 1.165 40.114 ( 4.687 2.706 -12.905) 13.994 ======================= Grid point 2 (3/417) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 18.030 10.410 2.234) 20.939 1.136 ( 23.350 13.481 0.865) 26.976 1.655 ( 12.431 7.177 -0.845) 14.379 1.711 ( 35.436 20.459 -0.041) 40.918 2.126 ( 25.920 14.965 0.141) 29.930 2.800 ( -1.604 -0.926 -0.915) 2.066 3.694 ( 1.079 0.623 0.783) 1.472 3.813 ( 0.030 0.017 -0.639) 0.640 4.041 ( 8.715 5.032 2.205) 10.302 4.173 ( 10.807 6.239 -3.408) 12.936 5.527 ( -3.356 -1.938 -0.104) 3.876 5.895 ( -7.305 -4.217 0.797) 8.472 17.300 ( -11.705 -6.758 -0.218) 13.517 20.748 ( -19.454 -11.231 0.090) 22.463 20.886 ( 11.664 6.734 0.140) 13.469 24.518 ( 16.962 9.793 0.014) 19.586 24.820 ( 25.470 14.705 2.014) 29.479 26.867 ( 34.264 19.782 -8.573) 40.483 35.045 ( -21.061 -12.159 1.678) 24.376 35.469 ( -3.643 -2.103 0.063) 4.207 37.570 ( -1.984 -1.145 -0.104) 2.293 37.926 ( -1.672 -0.965 0.139) 1.936 38.267 ( 17.671 10.202 1.445) 20.455 40.196 ( 3.609 2.084 -7.254) 8.366 ======================= Grid point 3 (4/417) ======================= q-point: ( 0.19 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 18.255 10.540 1.947) 21.169 1.627 ( 20.141 11.628 0.898) 23.274 1.946 ( 13.286 7.671 -0.992) 15.374 2.450 ( 30.251 17.465 -0.001) 34.931 2.674 ( 18.426 10.638 -1.202) 21.311 2.796 ( 5.462 3.153 0.077) 6.307 3.725 ( 1.436 0.829 0.991) 1.932 3.813 ( 0.051 0.030 -0.826) 0.828 4.255 ( 9.667 5.581 2.173) 11.372 4.430 ( 12.599 7.274 -3.214) 14.898 5.440 ( -4.157 -2.400 -0.358) 4.813 5.716 ( -8.693 -5.019 1.238) 10.114 17.000 ( -14.651 -8.459 -1.013) 16.948 20.327 ( -18.116 -10.459 1.222) 20.954 21.184 ( 14.450 8.343 0.139) 16.686 24.957 ( 21.657 12.504 0.045) 25.008 25.395 ( 24.381 14.076 1.041) 28.172 27.492 ( 21.766 12.567 -2.675) 25.275 34.620 ( -16.652 -9.614 0.378) 19.232 35.368 ( -5.349 -3.088 0.031) 6.177 37.520 ( -2.451 -1.415 -0.135) 2.833 37.887 ( -1.801 -1.040 0.187) 2.088 38.611 ( 12.535 7.237 1.834) 14.590 40.218 ( -0.918 -0.530 -4.340) 4.467 ======================= Grid point 4 (5/417) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 17.770 10.259 1.593) 20.580 2.038 ( 16.283 9.401 0.903) 18.824 2.231 ( 12.064 6.965 -1.002) 13.967 2.767 ( 1.680 0.970 -1.604) 2.517 3.054 ( 23.354 13.483 -0.090) 26.967 3.206 ( 19.208 11.090 0.535) 22.186 3.761 ( 1.574 0.909 0.951) 2.051 3.813 ( 0.100 0.058 -0.812) 0.820 4.463 ( 8.014 4.627 1.230) 9.335 4.715 ( 13.100 7.563 -2.442) 15.322 5.353 ( -3.126 -1.805 -0.385) 3.630 5.518 ( -9.098 -5.253 1.619) 10.629 16.655 ( -15.532 -8.967 -1.562) 18.002 19.945 ( -16.217 -9.363 1.930) 18.825 21.515 ( 14.642 8.454 0.098) 16.908 25.462 ( 22.785 13.155 0.080) 26.310 25.883 ( 18.626 10.754 0.471) 21.513 27.835 ( 9.736 5.621 -0.650) 11.261 34.306 ( -11.501 -6.640 -0.009) 13.280 35.234 ( -6.477 -3.740 -0.032) 7.479 37.463 ( -2.451 -1.415 -0.148) 2.834 37.850 ( -1.437 -0.830 0.209) 1.672 38.840 ( 7.763 4.482 1.386) 9.071 40.133 ( -5.874 -3.392 -2.292) 7.160 ======================= Grid point 5 (6/417) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 16.408 9.473 1.155) 18.982 2.358 ( 12.107 6.990 0.887) 14.008 2.475 ( 9.757 5.633 -0.942) 11.306 2.818 ( 3.178 1.835 -1.277) 3.886 3.491 ( 15.686 9.056 -0.213) 18.114 3.576 ( 13.613 7.860 0.520) 15.728 3.796 ( 1.306 0.754 0.248) 1.528 3.815 ( 0.324 0.187 -0.160) 0.406 4.590 ( 2.706 1.562 0.114) 3.126 4.988 ( 10.669 6.160 -1.111) 12.370 5.290 ( -4.877 -2.816 -1.611) 5.857 5.364 ( -1.229 -0.710 2.695) 3.046 16.313 ( -14.374 -8.299 -1.675) 16.682 19.612 ( -13.716 -7.919 2.028) 15.968 21.824 ( 12.620 7.286 0.047) 14.572 25.952 ( 20.422 11.790 0.101) 23.581 26.226 ( 12.040 6.951 0.254) 13.905 27.959 ( 2.192 1.265 -0.065) 2.532 34.100 ( -7.005 -4.045 -0.031) 8.089 35.085 ( -6.628 -3.827 -0.121) 7.655 37.412 ( -2.048 -1.183 -0.139) 2.369 37.825 ( -0.837 -0.483 0.201) 0.987 38.977 ( 4.628 2.672 0.751) 5.397 39.961 ( -8.685 -5.014 -1.039) 10.082 ======================= Grid point 6 (7/417) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 13.565 7.832 0.685) 15.679 2.584 ( 7.927 4.577 0.844) 9.192 2.660 ( 6.810 3.932 -0.860) 7.911 2.898 ( 3.854 2.225 -0.841) 4.529 3.760 ( 8.525 4.922 -0.786) 9.875 3.811 ( 0.329 0.190 -0.886) 0.964 3.819 ( 8.134 4.696 0.894) 9.435 3.834 ( 0.997 0.576 0.928) 1.478 4.592 ( -1.736 -1.002 0.065) 2.005 5.043 ( -5.976 -3.450 0.421) 6.913 5.294 ( 7.231 4.175 -1.704) 8.522 5.438 ( 5.187 2.995 1.399) 6.150 16.020 ( -11.165 -6.446 -1.372) 12.965 19.346 ( -10.151 -5.860 1.622) 11.833 22.069 ( 9.080 5.242 0.009) 10.484 26.356 ( 15.203 8.778 0.094) 17.556 26.432 ( 6.605 3.813 0.174) 7.628 27.964 ( -1.081 -0.624 0.060) 1.250 33.984 ( -3.581 -2.068 0.036) 4.136 34.945 ( -5.561 -3.211 -0.177) 6.424 37.373 ( -1.404 -0.811 -0.109) 1.625 37.813 ( -0.314 -0.182 0.159) 0.396 39.061 ( 2.893 1.670 0.265) 3.351 39.762 ( -8.493 -4.903 -0.353) 9.813 ======================= Grid point 7 (8/417) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( 8.240 4.758 0.283) 9.519 2.718 ( 3.938 2.274 0.621) 4.590 2.773 ( 3.447 1.990 -0.622) 4.028 2.974 ( 2.727 1.574 -0.379) 3.171 3.815 ( 0.171 0.098 -0.468) 0.508 3.854 ( 0.587 0.339 0.484) 0.833 3.881 ( 2.884 1.665 -1.403) 3.613 3.951 ( 3.574 2.064 1.389) 4.354 4.550 ( -1.494 -0.863 0.341) 1.759 4.906 ( -4.943 -2.854 -0.119) 5.709 5.439 ( 4.831 2.789 -0.680) 5.620 5.550 ( 3.959 2.286 0.617) 4.613 15.821 ( -6.136 -3.542 -0.766) 7.126 19.172 ( -5.443 -3.143 0.889) 6.348 22.225 ( 4.708 2.718 -0.004) 5.436 26.535 ( 2.785 1.608 0.100) 3.218 26.619 ( 8.067 4.658 0.056) 9.316 27.933 ( -1.331 -0.768 0.048) 1.537 33.931 ( -1.347 -0.778 0.056) 1.556 34.844 ( -3.233 -1.867 -0.137) 3.736 37.349 ( -0.693 -0.400 -0.060) 0.802 37.810 ( -0.051 -0.029 0.088) 0.106 39.113 ( 1.756 1.014 0.012) 2.027 39.600 ( -5.466 -3.156 -0.038) 6.311 ======================= Grid point 8 (9/417) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 554 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( 0.000 0.000 0.000) 0.000 2.763 ( 0.000 0.000 -0.000) 0.000 2.811 ( 0.000 0.000 0.000) 0.000 3.006 ( 0.000 0.000 0.000) 0.000 3.817 ( 0.000 0.000 0.000) 0.000 3.861 ( 0.000 0.000 0.000) 0.000 3.907 ( 0.000 0.000 0.000) 0.000 3.991 ( 0.000 0.000 -0.000) 0.000 4.534 ( 0.000 0.000 -0.000) 0.000 4.848 ( 0.000 0.000 0.000) 0.000 5.493 ( 0.000 0.000 0.000) 0.000 5.598 ( 0.000 0.000 0.000) 0.000 15.750 ( 0.000 0.000 0.000) 0.000 19.111 ( 0.000 0.000 0.000) 0.000 22.278 ( 0.000 0.000 -0.000) 0.000 26.565 ( 0.000 0.000 0.000) 0.000 26.711 ( 0.000 0.000 0.000) 0.000 27.917 ( 0.000 0.000 0.000) 0.000 33.917 ( 0.000 0.000 0.000) 0.000 34.807 ( 0.000 0.000 0.000) 0.000 37.342 ( 0.000 0.000 0.000) 0.000 37.809 ( 0.000 0.000 0.000) 0.000 39.134 ( 0.000 0.000 0.000) 0.000 39.536 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 18 (10/417) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.324 ( -0.000 17.935 4.141) 18.407 0.583 ( -0.000 29.397 0.218) 29.398 0.881 ( -0.000 44.430 0.735) 44.436 1.420 ( -0.000 9.409 -0.109) 9.410 1.583 ( -0.000 23.684 -0.521) 23.690 2.841 ( -0.000 -1.890 -1.035) 2.155 3.673 ( -0.000 0.563 -0.129) 0.578 3.815 ( 0.000 0.101 0.100) 0.142 3.865 ( -0.000 5.814 -1.920) 6.123 3.984 ( -0.000 8.856 0.326) 8.862 5.587 ( 0.000 -2.400 1.142) 2.658 6.031 ( 0.000 -5.222 0.672) 5.265 17.508 ( 0.000 -7.912 -0.142) 7.913 20.679 ( -0.000 7.530 0.082) 7.531 21.165 ( 0.000 -18.843 -1.593) 18.911 24.219 ( -0.000 10.760 0.006) 10.760 24.298 ( -0.000 19.768 -4.035) 20.176 26.036 ( -0.000 47.090 -42.771) 63.615 35.516 ( 0.000 -12.895 2.588) 13.153 35.546 ( 0.000 -13.601 8.476) 16.026 37.606 ( 0.000 -1.270 0.004) 1.270 37.856 ( -0.000 20.216 1.810) 20.297 37.957 ( 0.000 -1.185 -0.085) 1.188 40.077 ( -0.000 9.015 -24.523) 26.128 ======================= Grid point 19 (11/417) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 10.299 17.157 2.903) 20.220 1.004 ( 14.546 24.621 0.580) 28.603 1.482 ( 19.592 34.206 0.173) 39.420 1.601 ( 8.033 14.421 -0.416) 16.513 1.963 ( 14.599 25.027 -0.037) 28.974 2.809 ( -1.070 -1.761 -1.324) 2.449 3.689 ( 0.933 0.996 0.278) 1.392 3.811 ( -0.011 0.470 -0.285) 0.549 3.995 ( 5.963 7.517 -0.353) 9.601 4.106 ( 3.976 10.366 -0.781) 11.129 5.546 ( -1.787 -3.079 0.139) 3.563 5.939 ( -3.863 -6.753 0.988) 7.842 17.361 ( -6.115 -11.029 -0.693) 12.630 20.839 ( 6.937 12.032 0.084) 13.889 20.864 ( -10.906 -19.112 -0.555) 22.012 24.300 ( 5.916 9.604 -0.522) 11.292 24.759 ( 16.940 27.260 0.147) 32.095 26.637 ( 21.977 39.692 -16.662) 48.333 35.181 ( -12.850 -22.174 4.009) 25.940 35.490 ( -2.005 -3.197 0.539) 3.812 37.587 ( -0.821 -1.350 -0.056) 1.581 37.931 ( -0.715 -1.374 0.065) 1.550 38.164 ( 10.336 18.133 2.326) 21.001 40.148 ( 3.091 5.691 -13.413) 14.894 ======================= Grid point 20 (12/417) ======================= q-point: ( 0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 14.026 15.177 2.138) 20.776 1.486 ( 15.762 20.630 0.781) 25.974 1.861 ( 9.681 13.859 -0.881) 16.929 2.192 ( 24.422 27.087 -0.052) 36.471 2.484 ( 19.124 20.800 0.109) 28.256 2.779 ( -0.255 -0.555 -1.184) 1.332 3.721 ( 1.087 1.736 0.714) 2.169 3.818 ( 0.011 0.948 -0.655) 1.152 4.186 ( 7.227 8.192 1.634) 11.046 4.313 ( 9.065 9.618 -2.760) 13.502 5.471 ( -3.066 -3.584 -0.283) 4.725 5.786 ( -6.245 -7.301 1.360) 9.703 17.100 ( -10.276 -13.197 -1.325) 16.778 20.475 ( -13.951 -16.130 1.092) 21.354 21.127 ( 9.432 17.289 0.127) 19.695 24.596 ( 20.089 4.406 -0.004) 20.567 25.315 ( 16.110 28.060 0.632) 32.362 27.316 ( 20.327 26.648 -5.400) 33.948 34.762 ( -14.151 -16.253 1.112) 21.579 35.406 ( -3.682 -4.432 0.304) 5.770 37.553 ( -2.030 -0.653 -0.120) 2.136 37.902 ( -1.104 -1.302 0.139) 1.713 38.502 ( 10.869 11.664 2.517) 16.141 40.202 ( 1.099 1.123 -7.270) 7.438 ======================= Grid point 21 (13/417) ======================= q-point: ( 0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 15.382 13.459 1.553) 20.498 1.922 ( 13.611 17.522 0.831) 22.203 2.153 ( 9.179 13.397 -0.994) 16.270 2.758 ( 0.663 2.022 -1.663) 2.701 2.817 ( 22.542 19.270 -0.444) 29.660 3.006 ( 18.552 14.436 1.106) 23.533 3.761 ( 0.999 2.578 0.837) 2.889 3.827 ( -0.381 1.876 -0.772) 2.064 4.390 ( 7.361 6.982 1.611) 10.272 4.574 ( 11.764 8.700 -2.917) 14.919 5.381 ( -3.211 -3.417 -0.297) 4.699 5.600 ( -7.528 -7.400 1.648) 10.684 16.770 ( -12.232 -14.197 -1.901) 18.836 20.099 ( -14.115 -13.159 2.199) 19.422 21.470 ( 9.007 20.396 0.063) 22.296 25.024 ( 27.704 -0.554 0.133) 27.710 25.815 ( 13.350 22.606 0.243) 26.255 27.776 ( 10.453 16.463 -1.351) 19.548 34.416 ( -11.283 -10.820 0.109) 15.633 35.284 ( -5.016 -5.527 0.168) 7.466 37.509 ( -2.918 0.440 -0.154) 2.955 37.873 ( -1.414 -0.271 0.196) 1.453 38.752 ( 8.291 5.817 1.892) 10.303 40.163 ( -2.963 -3.770 -3.647) 6.024 ======================= Grid point 22 (14/417) ======================= q-point: ( 0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 15.436 11.689 0.998) 19.389 2.280 ( 10.165 14.743 0.788) 17.925 2.414 ( 7.527 11.585 -1.006) 13.852 2.798 ( 1.769 3.248 -1.053) 3.846 3.305 ( 17.467 11.825 -1.027) 21.118 3.413 ( 15.098 9.358 1.467) 17.824 3.807 ( 0.604 3.700 0.431) 3.773 3.842 ( -0.617 3.510 -0.405) 3.587 4.553 ( 4.611 3.914 0.422) 6.063 4.852 ( 12.215 7.245 -1.923) 14.331 5.311 ( -1.674 -2.491 -0.521) 3.046 5.409 ( -6.603 -6.305 2.098) 9.368 16.421 ( -12.095 -14.061 -2.081) 18.664 19.759 ( -13.240 -10.353 2.477) 16.989 21.808 ( 6.750 21.203 -0.015) 22.252 25.486 ( 30.099 -5.805 0.191) 30.654 26.190 ( 9.432 14.999 -0.033) 17.718 28.002 ( 1.479 11.383 -0.117) 11.480 34.174 ( -7.646 -6.484 -0.098) 10.025 35.137 ( -5.555 -6.207 0.027) 8.329 37.466 ( -3.418 1.773 -0.158) 3.854 37.852 ( -1.525 1.127 0.216) 1.908 38.909 ( 5.915 1.891 1.029) 6.295 40.022 ( -6.254 -7.314 -1.588) 9.754 ======================= Grid point 23 (15/417) ======================= q-point: ( 0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 14.114 9.334 0.487) 16.928 2.550 ( 6.204 12.034 0.669) 13.555 2.623 ( 5.631 9.138 -1.016) 10.782 2.873 ( 2.339 4.685 -0.321) 5.246 3.620 ( 11.027 4.107 -1.659) 11.883 3.689 ( 9.712 2.989 1.648) 10.294 3.857 ( 0.156 6.225 -0.042) 6.227 3.883 ( -0.157 6.746 0.234) 6.751 4.605 ( -0.432 -0.004 -0.192) 0.472 5.065 ( 3.158 0.627 0.291) 3.232 5.223 ( 0.591 -1.909 -1.673) 2.606 5.376 ( 4.142 0.508 1.710) 4.510 16.098 ( -9.881 -12.771 -1.827) 16.250 19.470 ( -11.262 -7.277 2.120) 13.575 22.095 ( 3.188 20.274 -0.076) 20.523 25.901 ( 28.343 -10.821 0.224) 30.339 26.425 ( 6.014 6.850 -0.172) 9.118 28.078 ( -4.272 10.572 0.192) 11.404 34.028 ( -4.465 -3.160 -0.052) 5.471 34.986 ( -4.939 -6.302 -0.092) 8.008 37.430 ( -3.581 3.133 -0.134) 4.759 37.844 ( -1.609 2.502 0.197) 2.981 39.002 ( 4.508 -0.453 0.359) 4.545 39.824 ( -7.087 -8.749 -0.516) 11.271 ======================= Grid point 24 (16/417) ======================= q-point: ( 0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 10.758 5.711 0.129) 12.181 2.726 ( 2.328 9.350 0.439) 9.645 2.779 ( 3.432 7.907 -1.016) 8.679 2.950 ( 1.445 3.879 0.406) 4.159 3.760 ( 4.981 -0.796 -0.647) 5.086 3.798 ( 3.170 -0.762 -0.549) 3.306 3.942 ( -0.084 8.353 0.578) 8.373 3.962 ( 0.798 7.415 0.501) 7.475 4.568 ( -2.007 -1.424 0.128) 2.464 4.958 ( -5.749 -5.185 0.238) 7.745 5.351 ( 7.824 1.864 -1.003) 8.105 5.481 ( 5.930 0.750 0.861) 6.039 15.849 ( -5.679 -10.351 -1.250) 11.873 19.256 ( -7.962 -3.868 1.389) 8.960 22.300 ( -1.170 18.283 -0.101) 18.320 26.219 ( 23.497 -13.779 0.230) 27.240 26.531 ( 4.093 -1.974 -0.269) 4.552 28.088 ( -7.177 12.177 0.219) 14.136 33.954 ( -2.237 -0.810 0.003) 2.379 34.858 ( -2.990 -5.681 -0.123) 6.421 37.406 ( -3.496 4.275 -0.086) 5.523 37.846 ( -1.840 3.532 0.141) 3.986 39.060 ( 3.807 -1.786 -0.039) 4.205 39.634 ( -5.154 -8.161 0.004) 9.652 ======================= Grid point 25 (17/417) ======================= q-point: ( 0.50 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 4.737 0.729 -0.044) 4.793 2.812 ( -1.517 6.961 0.025) 7.124 2.885 ( -0.817 8.779 -0.630) 8.839 2.985 ( 0.458 -0.236 0.665) 0.841 3.806 ( 1.774 -0.573 0.714) 1.996 3.817 ( 1.239 -1.653 -1.358) 2.472 3.991 ( -3.015 7.670 -0.521) 8.258 4.026 ( -1.054 4.884 1.015) 5.098 4.534 ( -0.552 -0.977 0.095) 1.127 4.848 ( -1.834 -3.107 0.085) 3.609 5.455 ( 3.861 -0.989 -0.203) 3.991 5.562 ( 3.372 -1.312 0.175) 3.623 15.713 ( 0.040 -7.060 -0.508) 7.078 19.140 ( -3.437 -0.410 0.506) 3.499 22.407 ( -5.893 15.751 -0.094) 16.817 26.425 ( 16.830 -13.445 0.197) 21.542 26.528 ( 3.248 -11.088 -0.349) 11.559 28.084 ( -8.204 13.876 0.153) 16.120 33.928 ( -0.980 0.540 -0.024) 1.119 34.784 ( 0.137 -4.254 -0.031) 4.256 37.395 ( -3.220 5.020 -0.023) 5.964 37.849 ( -2.191 4.004 0.057) 4.565 39.095 ( 2.863 -2.803 -0.169) 4.010 39.513 ( -0.665 -5.808 0.175) 5.849 ======================= Grid point 26 (18/417) ======================= q-point: (-0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( -3.043 -3.746 -0.276) 4.834 2.811 ( -5.379 4.802 -0.354) 7.219 2.889 ( -7.212 5.693 0.742) 9.218 2.983 ( 0.162 -1.147 -0.127) 1.165 3.801 ( -0.092 -2.079 -0.784) 2.224 3.824 ( 0.771 -1.473 1.134) 2.012 3.993 ( -4.998 6.342 -0.160) 8.076 4.022 ( -4.070 3.364 -0.186) 5.284 4.532 ( 1.047 -0.069 -0.389) 1.119 4.849 ( 3.610 0.037 0.338) 3.626 5.457 ( -0.914 -3.743 0.438) 3.878 5.560 ( -0.694 -3.661 -0.410) 3.748 15.716 ( 6.326 -3.441 0.238) 7.205 19.137 ( 1.820 2.638 -0.354) 3.224 22.407 ( -10.676 12.996 -0.070) 16.819 26.424 ( 3.233 -21.296 -0.350) 21.543 26.529 ( 7.975 -8.344 0.081) 11.542 28.084 ( -7.954 14.010 0.067) 16.111 33.928 ( 0.017 1.114 -0.095) 1.118 34.784 ( 3.645 -2.228 0.119) 4.274 37.395 ( -2.722 5.310 0.043) 5.967 37.849 ( -2.399 3.882 -0.037) 4.564 39.095 ( 1.023 -3.860 -0.125) 3.996 39.513 ( 5.338 -2.348 0.151) 5.833 ======================= Grid point 27 (19/417) ======================= q-point: (-0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( -10.395 -6.436 -0.638) 12.243 2.722 ( -9.383 2.746 -0.647) 9.798 2.786 ( -8.673 1.185 1.077) 8.820 2.950 ( -3.716 0.320 0.209) 3.736 3.761 ( -1.428 -4.449 -0.149) 4.675 3.802 ( -1.275 -3.526 0.645) 3.804 3.935 ( -7.164 3.762 -1.284) 8.193 3.964 ( -6.956 3.700 0.861) 7.926 4.567 ( 2.360 1.080 -0.428) 2.631 4.957 ( 7.184 2.282 0.089) 7.538 5.358 ( -5.278 -5.700 1.224) 7.864 5.475 ( -3.804 -4.864 -1.082) 6.269 15.855 ( 12.015 -0.164 0.837) 12.045 19.248 ( 7.090 4.857 -1.048) 8.658 22.301 ( -15.242 10.177 -0.051) 18.328 26.217 ( 0.212 -27.253 -0.329) 27.256 26.532 ( -0.368 -4.481 -0.024) 4.496 28.087 ( -6.975 12.266 0.008) 14.111 33.954 ( 1.837 1.541 -0.112) 2.400 34.859 ( 6.418 -0.252 0.208) 6.426 37.407 ( -1.944 5.178 0.101) 5.532 37.845 ( -2.159 3.343 -0.120) 3.981 39.060 ( -0.405 -4.200 -0.206) 4.224 39.635 ( 9.707 0.397 0.257) 9.718 ======================= Grid point 28 (20/417) ======================= q-point: (-0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( -15.255 -7.497 -1.013) 17.028 2.545 ( -13.592 0.716 -0.766) 13.633 2.630 ( -10.794 -0.235 1.014) 10.844 2.876 ( -4.921 0.088 0.798) 4.986 3.625 ( -9.091 -7.236 -0.148) 11.620 3.683 ( -7.619 -7.190 -0.080) 10.476 3.858 ( -5.168 2.817 0.001) 5.886 3.882 ( -5.989 3.702 0.080) 7.042 4.605 ( 0.259 0.371 -0.147) 0.476 5.064 ( -1.446 -2.036 -0.080) 2.499 5.234 ( 0.969 -1.708 1.970) 2.782 5.365 ( -2.808 -3.462 -1.873) 4.835 16.108 ( 16.160 2.226 1.163) 16.354 19.459 ( 11.741 6.051 -1.448) 13.288 22.095 ( -19.160 7.400 -0.051) 20.540 25.900 ( -4.769 -29.973 -0.270) 30.351 26.425 ( -8.981 -1.713 -0.122) 9.144 28.077 ( -6.996 8.958 0.017) 11.366 34.028 ( 5.000 2.305 -0.054) 5.506 34.987 ( 7.903 1.103 0.195) 7.982 37.431 ( -0.918 4.679 0.138) 4.770 37.843 ( -1.373 2.634 -0.177) 2.975 39.000 ( -1.991 -4.157 -0.472) 4.634 39.828 ( 11.304 1.808 0.593) 11.463 ======================= Grid point 29 (21/417) ======================= q-point: (-0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -17.995 -7.422 -1.263) 19.507 2.276 ( -17.891 -1.374 -0.770) 17.961 2.420 ( -13.807 -0.721 0.920) 13.856 2.805 ( -3.466 -0.059 1.132) 3.647 3.308 ( -19.061 -9.018 -0.232) 21.088 3.408 ( -15.619 -8.607 -0.050) 17.834 3.803 ( -3.691 1.316 -0.711) 3.983 3.845 ( -2.585 2.330 0.668) 3.544 4.549 ( -5.971 -2.181 -0.733) 6.399 4.863 ( -12.026 -6.805 1.665) 13.918 5.316 ( 2.370 -0.028 0.958) 2.556 5.396 ( 9.319 2.791 -1.955) 9.922 16.431 ( 18.300 3.459 1.137) 18.659 19.747 ( 15.493 6.279 -1.448) 16.779 21.808 ( -21.758 4.779 -0.067) 22.277 25.485 ( -9.997 -28.978 -0.208) 30.654 26.190 ( -17.777 -0.593 -0.223) 17.788 28.003 ( -10.445 4.420 0.183) 11.344 34.175 ( 9.444 3.389 0.004) 10.033 35.137 ( 8.118 1.667 0.128) 8.288 37.466 ( 0.173 3.852 0.147) 3.859 37.851 ( -0.216 1.883 -0.198) 1.906 38.903 ( -4.812 -4.203 -0.816) 6.441 40.031 ( 9.860 1.842 1.148) 10.096 ======================= Grid point 30 (22/417) ======================= q-point: (-0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -19.550 -6.435 -1.287) 20.622 1.917 ( -22.022 -2.939 -0.674) 22.227 2.159 ( -16.168 -1.322 0.784) 16.241 2.767 ( -2.027 0.293 1.202) 2.375 2.818 ( -27.749 -9.767 -0.013) 29.417 3.002 ( -21.927 -8.973 -0.383) 23.695 3.756 ( -2.787 0.533 -0.811) 2.951 3.831 ( -1.405 1.199 0.725) 1.984 4.380 ( -9.999 -2.844 -1.560) 10.512 4.589 ( -13.131 -5.941 2.227) 14.584 5.383 ( 4.547 1.095 0.312) 4.687 5.592 ( 10.215 2.845 -0.970) 10.648 16.779 ( 18.382 3.493 0.764) 18.727 20.089 ( 18.520 5.692 -1.020) 19.401 21.470 ( -22.192 2.420 -0.081) 22.324 25.023 ( -13.358 -24.254 -0.167) 27.690 25.813 ( -26.405 -0.157 -0.414) 26.409 27.782 ( -18.914 -0.724 0.720) 18.942 34.416 ( 14.909 4.330 -0.046) 15.525 35.284 ( 7.264 1.526 0.066) 7.423 37.510 ( 1.075 2.741 0.126) 2.946 37.872 ( 0.946 1.103 -0.177) 1.464 38.743 ( -9.449 -4.268 -1.019) 10.418 40.180 ( 5.519 0.801 1.844) 5.874 ======================= Grid point 31 (23/417) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -20.446 -4.325 -0.970) 20.921 1.482 ( -25.803 -3.175 -0.455) 26.002 1.865 ( -16.808 -1.621 0.508) 16.894 2.192 ( -35.709 -7.607 0.005) 36.510 2.484 ( -27.703 -6.323 0.111) 28.415 2.783 ( 0.843 -0.018 0.337) 0.908 3.717 ( -2.063 0.146 -0.524) 2.134 3.821 ( -0.824 0.295 0.458) 0.988 4.177 ( -10.802 -1.487 -1.479) 11.003 4.327 ( -12.667 -3.837 1.941) 13.377 5.473 ( 4.578 0.854 0.155) 4.660 5.780 ( 9.479 1.796 -0.470) 9.659 17.105 ( 16.454 2.354 0.231) 16.623 20.470 ( 21.196 4.109 -0.349) 21.594 21.127 ( -19.710 0.498 -0.066) 19.717 24.595 ( -13.852 -15.090 -0.147) 20.484 25.311 ( -32.587 0.374 -0.637) 32.596 27.338 ( -31.488 -4.148 1.693) 31.806 34.758 ( 20.751 4.023 -0.251) 21.139 35.405 ( 5.653 0.892 0.031) 5.723 37.553 ( 1.578 1.409 0.074) 2.117 37.901 ( 1.684 0.344 -0.112) 1.723 38.492 ( -15.705 -3.550 -0.721) 16.118 40.231 ( -0.171 -0.290 2.120) 2.146 ======================= Grid point 32 (24/417) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( -20.456 0.000 0.000) 20.456 1.002 ( -28.650 0.000 0.000) 28.650 1.482 ( -39.592 0.000 0.000) 39.592 1.602 ( -16.376 0.000 0.000) 16.376 1.963 ( -28.920 0.000 0.000) 28.920 2.813 ( 2.124 -0.000 -0.000) 2.124 3.689 ( -1.333 0.000 0.000) 1.333 3.812 ( -0.395 0.000 0.000) 0.395 3.996 ( -9.409 0.000 0.000) 9.409 4.109 ( -10.875 0.000 0.000) 10.875 5.546 ( 3.410 -0.000 -0.000) 3.410 5.936 ( 7.792 -0.000 -0.000) 7.792 17.363 ( 12.494 -0.000 -0.000) 12.494 20.839 ( -14.111 0.000 0.000) 14.111 20.865 ( 22.539 -0.000 -0.000) 22.539 24.301 ( -11.179 0.000 0.000) 11.179 24.758 ( -32.049 0.000 0.000) 32.049 26.689 ( -40.891 0.000 0.000) 40.891 35.169 ( 24.590 -0.000 -0.000) 24.590 35.489 ( 3.700 -0.000 -0.000) 3.700 37.587 ( 1.579 -0.000 -0.000) 1.579 37.931 ( 1.530 -0.000 -0.000) 1.530 38.157 ( -20.871 0.000 0.000) 20.871 40.190 ( -4.091 0.000 0.000) 4.091 ======================= Grid point 35 (25/417) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -0.000 20.115 2.333) 20.250 1.132 ( -0.000 26.860 0.170) 26.861 1.659 ( -0.000 14.502 -0.138) 14.503 1.713 ( -0.000 40.717 0.363) 40.719 2.125 ( -0.000 30.282 -0.024) 30.282 2.797 ( -0.000 -1.707 -1.514) 2.282 3.688 ( -0.000 1.065 -0.256) 1.095 3.819 ( 0.000 0.187 0.205) 0.277 4.015 ( -0.000 10.012 -1.940) 10.199 4.201 ( -0.000 12.565 1.177) 12.620 5.527 ( 0.000 -4.003 0.050) 4.004 5.898 ( 0.000 -8.458 1.161) 8.537 17.292 ( 0.000 -13.560 -1.474) 13.640 20.746 ( 0.000 -22.100 -0.273) 22.102 20.886 ( -0.000 13.435 0.097) 13.436 24.518 ( -0.000 19.582 0.020) 19.582 24.793 ( -0.000 30.265 -2.328) 30.354 26.838 ( -0.000 42.515 -12.760) 44.389 35.057 ( 0.000 -25.154 3.445) 25.389 35.474 ( 0.000 -4.258 0.834) 4.339 37.571 ( 0.000 -2.270 0.004) 2.270 37.925 ( 0.000 -1.959 -0.123) 1.963 38.278 ( -0.000 20.017 3.130) 20.261 40.159 ( -0.000 6.505 -12.834) 14.389 ======================= Grid point 36 (26/417) ======================= q-point: ( 0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 6.838 19.094 1.651) 20.348 1.481 ( 10.447 23.728 0.316) 25.928 1.866 ( 6.654 15.592 -0.374) 16.956 2.191 ( 11.179 34.446 -0.127) 36.214 2.489 ( 8.366 27.700 0.601) 28.942 2.777 ( -0.445 -0.598 -1.454) 1.634 3.714 ( 1.576 1.456 -0.022) 2.146 3.824 ( 0.305 0.797 -0.032) 0.854 4.161 ( 5.257 9.866 -1.050) 11.229 4.340 ( 1.642 13.183 0.091) 13.285 5.471 ( -1.589 -4.513 -0.200) 4.789 5.788 ( -3.111 -9.094 1.418) 9.715 17.094 ( -6.044 -15.525 -1.889) 16.767 20.476 ( -6.826 -20.044 1.169) 21.207 21.127 ( 10.316 16.766 0.075) 19.686 24.592 ( -6.030 19.632 -0.370) 20.540 25.305 ( 17.427 27.974 -0.395) 32.961 27.310 ( 12.548 31.696 -5.829) 34.584 34.766 ( -7.164 -20.614 1.437) 21.870 35.410 ( -2.220 -5.337 0.643) 5.816 37.553 ( 0.377 -2.040 -0.044) 2.075 37.900 ( -0.436 -1.675 -0.012) 1.731 38.505 ( 4.719 14.862 2.884) 15.858 40.191 ( 0.262 2.511 -8.296) 8.671 ======================= Grid point 37 (27/417) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 10.538 16.959 1.123) 19.998 1.897 ( 12.363 20.688 0.519) 24.106 2.150 ( 8.423 15.401 -0.751) 17.570 2.709 ( 14.783 25.131 -1.107) 29.178 2.774 ( 0.280 2.079 -0.904) 2.284 2.908 ( 12.245 20.863 1.397) 24.231 3.765 ( 2.061 2.522 0.359) 3.276 3.845 ( 0.579 1.964 -0.417) 2.090 4.353 ( 6.461 8.416 0.536) 10.624 4.518 ( 5.263 12.165 -1.814) 13.378 5.390 ( -2.502 -4.470 -0.255) 5.129 5.631 ( -5.212 -9.126 1.670) 10.641 16.797 ( -9.627 -16.792 -2.244) 19.485 20.159 ( -9.557 -16.717 2.367) 19.401 21.515 ( 12.522 21.595 -0.005) 24.963 24.751 ( 6.772 11.410 -0.064) 13.269 25.812 ( 13.255 22.352 -0.118) 25.987 27.771 ( 11.673 20.525 -1.758) 23.678 34.461 ( -8.315 -14.388 0.238) 16.620 35.301 ( -3.933 -6.525 0.418) 7.630 37.542 ( -0.336 -0.439 -0.122) 0.566 37.883 ( -0.219 -0.593 0.134) 0.646 38.707 ( 5.039 8.254 2.076) 9.890 40.161 ( -2.214 -3.181 -4.403) 5.866 ======================= Grid point 38 (28/417) ======================= q-point: ( 0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 12.269 14.603 0.637) 19.084 2.280 ( 10.196 18.426 0.602) 21.068 2.419 ( 6.740 13.291 -1.102) 14.943 2.814 ( 1.428 5.035 -0.527) 5.260 3.161 ( 14.397 15.908 -1.652) 21.519 3.287 ( 12.206 13.197 2.168) 18.107 3.832 ( 1.793 4.472 0.440) 4.838 3.882 ( 0.598 4.125 -0.515) 4.200 4.523 ( 4.738 5.855 0.716) 7.566 4.742 ( 8.898 9.588 -2.305) 13.282 5.310 ( -1.947 -3.654 -0.186) 4.145 5.450 ( -6.147 -8.540 1.874) 10.687 16.453 ( -10.688 -17.159 -2.374) 20.355 19.851 ( -10.313 -13.169 2.763) 16.953 21.933 ( 8.937 26.195 -0.109) 27.677 25.019 ( 17.564 0.488 0.134) 17.571 26.173 ( 8.813 13.772 -0.288) 16.353 28.079 ( 5.326 14.349 -0.166) 15.306 34.221 ( -6.649 -8.907 -0.134) 11.116 35.157 ( -4.940 -7.549 0.208) 9.024 37.533 ( -1.549 2.034 -0.170) 2.562 37.883 ( -0.286 1.264 0.218) 1.314 38.842 ( 4.315 2.798 1.142) 5.268 40.036 ( -5.143 -8.085 -1.961) 9.780 ======================= Grid point 39 (29/417) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 12.389 11.913 0.209) 17.189 2.588 ( 6.205 15.092 0.238) 16.319 2.623 ( 5.101 9.774 -0.994) 11.070 2.915 ( 1.611 9.763 0.385) 9.903 3.481 ( 10.856 6.899 -2.343) 13.074 3.568 ( 9.518 5.650 2.410) 11.328 3.914 ( 1.253 7.226 0.267) 7.339 3.951 ( 0.977 7.625 -0.213) 7.690 4.610 ( 0.769 1.844 -0.090) 2.000 4.973 ( 9.122 5.567 -1.133) 10.746 5.223 ( -4.353 -6.542 -0.655) 7.885 5.328 ( 0.626 -2.405 1.990) 3.184 16.111 ( -9.512 -16.473 -2.145) 19.143 19.576 ( -9.874 -9.291 2.470) 13.781 22.304 ( 2.949 29.005 -0.183) 29.155 25.330 ( 24.058 -9.498 0.226) 25.866 26.375 ( 5.185 3.930 -0.412) 6.519 28.244 ( -0.636 12.688 0.295) 12.708 34.065 ( -4.270 -4.488 -0.131) 6.196 34.996 ( -4.918 -8.186 0.021) 9.549 37.529 ( -2.797 4.719 -0.167) 5.488 37.898 ( -0.732 3.477 0.235) 3.561 38.919 ( 3.945 -1.060 0.408) 4.105 39.838 ( -6.502 -10.965 -0.649) 12.764 ======================= Grid point 40 (30/417) ======================= q-point: ( 0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 10.585 8.501 -0.038) 13.576 2.752 ( 4.725 4.843 -1.026) 6.843 2.818 ( 2.282 13.856 0.187) 14.044 3.034 ( -0.893 11.803 0.991) 11.879 3.660 ( 6.733 1.432 -1.816) 7.119 3.724 ( 5.352 0.639 0.989) 5.480 4.017 ( 1.118 9.020 1.122) 9.158 4.050 ( 0.176 10.069 -0.573) 10.087 4.594 ( -2.400 -0.846 -0.079) 2.545 4.998 ( -5.405 -6.345 0.628) 8.359 5.222 ( 8.291 1.106 -1.444) 8.488 5.383 ( 5.521 -0.715 1.114) 5.677 15.820 ( -6.228 -14.638 -1.617) 15.989 19.356 ( -8.268 -5.164 1.773) 9.908 22.585 ( -3.449 29.508 -0.203) 29.709 25.631 ( 26.210 -16.060 0.254) 30.740 26.429 ( 2.745 -5.867 -0.480) 6.495 28.324 ( -4.563 13.355 0.358) 14.117 33.985 ( -2.310 -1.085 -0.049) 2.552 34.843 ( -3.536 -8.276 -0.090) 9.000 37.530 ( -3.910 7.053 -0.122) 8.065 37.924 ( -1.581 5.487 0.195) 5.714 38.963 ( 4.126 -3.540 -0.058) 5.437 39.623 ( -5.371 -11.695 0.004) 12.869 ======================= Grid point 41 (31/417) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 6.284 4.176 -0.006) 7.545 2.863 ( 4.573 1.862 -0.668) 4.982 2.948 ( -1.478 11.510 -0.211) 11.606 3.102 ( -4.681 11.287 1.054) 12.265 3.749 ( 3.898 -0.137 -0.676) 3.958 3.783 ( 2.091 -0.708 -0.360) 2.236 4.111 ( -0.794 8.345 1.445) 8.506 4.132 ( -2.542 10.544 -0.809) 10.876 4.542 ( -1.976 -1.287 0.179) 2.365 4.851 ( -3.694 -5.770 0.181) 6.853 5.350 ( 6.592 -1.670 -0.469) 6.816 5.467 ( 5.446 -2.567 0.388) 6.033 15.625 ( -1.134 -11.757 -0.929) 11.848 19.211 ( -5.411 -1.223 0.928) 5.625 22.757 ( -9.378 28.113 -0.173) 29.637 25.891 ( 24.371 -18.983 0.242) 30.893 26.367 ( 2.105 -13.884 -0.524) 14.053 28.361 ( -6.865 14.233 0.283) 15.804 33.957 ( -1.357 1.155 -0.031) 1.782 34.728 ( -0.616 -7.557 -0.071) 7.582 37.533 ( -4.770 8.584 -0.048) 9.821 37.948 ( -2.784 6.741 0.112) 7.294 38.993 ( 4.362 -5.002 -0.282) 6.642 39.451 ( -1.683 -10.506 0.287) 10.643 ======================= Grid point 42 (32/417) ======================= q-point: (-0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 0.035 -0.141 0.023) 0.147 2.919 ( 1.179 -1.307 0.357) 1.796 2.992 ( -4.634 8.152 -0.527) 9.392 3.109 ( -7.235 11.581 0.077) 13.656 3.779 ( 0.467 -1.710 -1.541) 2.348 3.801 ( 1.330 -0.696 1.338) 2.011 4.143 ( -4.523 6.730 0.212) 8.111 4.164 ( -5.361 10.028 -0.048) 11.371 4.516 ( 0.178 -0.689 -0.215) 0.743 4.789 ( 1.761 -2.920 0.346) 3.427 5.400 ( 2.840 -4.552 0.220) 5.370 5.501 ( 2.651 -4.914 -0.223) 5.588 15.559 ( 5.034 -8.238 -0.235) 9.657 19.158 ( -1.422 1.948 0.124) 2.415 22.814 ( -14.728 25.575 -0.116) 29.513 26.031 ( 14.040 -24.658 0.044) 28.375 26.288 ( 8.137 -13.715 -0.385) 15.952 28.373 ( -8.257 14.188 0.166) 16.417 33.952 ( -1.154 1.965 -0.100) 2.281 34.685 ( 3.360 -5.732 0.062) 6.644 37.535 ( -5.204 9.058 0.034) 10.447 37.957 ( -3.972 6.808 0.006) 7.882 39.007 ( 3.534 -6.004 -0.274) 6.972 39.383 ( 4.249 -7.474 0.302) 8.602 ======================= Grid point 43 (33/417) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( -6.851 -3.302 -0.242) 7.609 2.875 ( -3.623 -2.960 1.210) 4.832 2.945 ( -9.111 6.571 -0.559) 11.247 3.091 ( -7.699 9.879 -0.672) 12.543 3.747 ( -1.128 -2.934 -0.818) 3.249 3.795 ( -0.935 -2.543 1.255) 2.986 4.097 ( -7.291 5.015 -0.870) 8.892 4.142 ( -7.622 7.435 0.812) 10.679 4.536 ( 2.174 1.020 -0.632) 2.483 4.853 ( 6.674 0.213 0.399) 6.689 5.359 ( -1.477 -6.309 0.880) 6.539 5.459 ( -0.817 -6.183 -0.808) 6.289 15.633 ( 11.167 -4.718 0.325) 12.127 19.202 ( 3.298 3.895 -0.502) 5.128 22.757 ( -19.624 22.233 -0.060) 29.655 25.887 ( 4.210 -30.602 -0.287) 30.892 26.370 ( 11.032 -8.697 -0.086) 14.048 28.360 ( -8.970 12.994 0.063) 15.789 33.956 ( -0.314 1.750 -0.152) 1.785 34.729 ( 6.887 -3.224 0.181) 7.607 37.534 ( -5.021 8.453 0.103) 9.832 37.946 ( -4.492 5.738 -0.088) 7.288 38.993 ( 2.144 -6.237 -0.213) 6.599 39.451 ( 9.956 -3.836 0.250) 10.672 ======================= Grid point 44 (34/417) ======================= q-point: (-0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( -12.812 -4.755 -0.589) 13.679 2.767 ( -6.672 -1.470 1.329) 6.960 2.813 ( -12.992 4.533 -0.749) 13.780 3.026 ( -9.459 6.638 -0.196) 11.557 3.672 ( -4.006 -4.457 -0.194) 5.996 3.718 ( -4.200 -5.029 0.354) 6.561 4.007 ( -8.001 3.852 -0.540) 8.896 4.058 ( -9.105 4.712 0.621) 10.271 4.592 ( 2.189 1.748 -0.367) 2.825 4.993 ( 7.794 1.304 -0.070) 7.903 5.241 ( -4.512 -6.371 1.587) 7.967 5.367 ( -2.517 -5.262 -1.316) 5.979 15.835 ( 16.157 -1.822 0.640) 16.272 19.339 ( 8.167 4.484 -0.849) 9.356 22.586 ( -23.830 17.806 -0.025) 29.747 25.628 ( 0.817 -30.707 -0.297) 30.720 26.432 ( 3.700 -5.220 -0.059) 6.398 28.322 ( -9.310 10.562 0.009) 14.080 33.984 ( 2.147 1.491 -0.117) 2.616 34.844 ( 8.907 -1.107 0.195) 8.978 37.532 ( -4.138 6.936 0.140) 8.078 37.921 ( -3.987 4.082 -0.145) 5.708 38.962 ( 0.853 -5.316 -0.284) 5.391 39.625 ( 13.006 -1.219 0.331) 13.067 ======================= Grid point 45 (35/417) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -16.755 -4.467 -0.730) 17.356 2.584 ( -17.341 2.767 -0.335) 17.563 2.633 ( -9.962 -0.105 0.660) 9.984 2.915 ( -8.737 3.176 0.329) 9.302 3.498 ( -11.643 -5.283 -0.247) 12.788 3.550 ( -9.720 -6.060 0.114) 11.455 3.911 ( -6.843 2.459 -0.281) 7.277 3.954 ( -7.073 3.047 0.381) 7.711 4.608 ( -2.191 0.163 -0.374) 2.229 4.985 ( -8.369 -4.729 0.784) 9.645 5.239 ( 8.467 0.612 1.541) 8.628 5.300 ( 0.375 -2.136 -2.038) 2.976 16.129 ( 19.284 0.035 0.655) 19.295 19.554 ( 12.650 3.896 -0.854) 13.264 22.305 ( -26.625 12.011 -0.018) 29.209 25.327 ( -3.773 -25.536 -0.218) 25.814 26.377 ( -6.046 -2.406 -0.072) 6.508 28.243 ( -10.585 6.840 0.022) 12.603 34.066 ( 6.072 1.500 -0.043) 6.254 34.997 ( 9.483 0.088 0.134) 9.485 37.531 ( -2.686 4.781 0.134) 5.486 37.896 ( -2.653 2.373 -0.152) 3.563 38.914 ( -1.350 -3.879 -0.388) 4.125 39.846 ( 13.195 0.102 0.477) 13.204 ======================= Grid point 46 (36/417) ======================= q-point: (-0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -19.104 -2.844 -0.551) 19.322 2.274 ( -21.158 0.644 -0.328) 21.170 2.429 ( -14.928 0.588 0.435) 14.946 2.820 ( -4.522 0.833 0.437) 4.619 3.172 ( -21.462 -4.036 -0.141) 21.838 3.272 ( -17.190 -4.411 0.003) 17.747 3.827 ( -4.923 0.951 -0.364) 5.027 3.888 ( -3.747 1.305 0.377) 3.986 4.514 ( -7.883 -0.830 -0.630) 7.952 4.762 ( -12.302 -3.383 0.965) 12.796 5.317 ( 3.685 -0.037 0.244) 3.694 5.430 ( 10.913 1.091 -0.622) 10.985 16.470 ( 20.321 0.680 0.391) 20.336 19.830 ( 16.436 2.407 -0.522) 16.619 21.934 ( -27.204 5.410 -0.020) 27.736 25.018 ( -9.169 -14.871 -0.114) 17.471 26.175 ( -16.440 -0.591 -0.086) 16.451 28.081 ( -14.704 2.521 0.094) 14.919 34.222 ( 10.999 1.329 -0.004) 11.079 35.156 ( 8.935 0.391 0.058) 8.944 37.535 ( -0.990 2.319 0.083) 2.523 37.881 ( -0.946 0.930 -0.102) 1.330 38.832 ( -5.026 -2.187 -0.361) 5.493 40.052 ( 10.454 0.288 0.518) 10.471 ======================= Grid point 47 (37/417) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -20.360 0.000 0.000) 20.360 1.893 ( -24.159 0.000 0.000) 24.159 2.155 ( -17.546 0.000 0.000) 17.546 2.715 ( -29.939 0.000 0.000) 29.939 2.781 ( -0.958 0.000 0.000) 0.958 2.898 ( -24.075 0.000 0.000) 24.075 3.762 ( -3.263 0.000 0.000) 3.263 3.847 ( -1.956 0.000 0.000) 1.956 4.350 ( -10.489 0.000 0.000) 10.489 4.529 ( -13.214 0.000 0.000) 13.214 5.395 ( 5.021 -0.000 -0.000) 5.021 5.618 ( 10.603 -0.000 -0.000) 10.603 16.811 ( 19.347 -0.000 -0.000) 19.347 20.144 ( 19.428 -0.000 -0.000) 19.428 21.515 ( -25.013 0.000 0.000) 25.013 24.751 ( -13.199 0.000 0.000) 13.199 25.813 ( -26.094 0.000 0.000) 26.094 27.782 ( -22.490 0.000 0.000) 22.490 34.460 ( 16.336 -0.000 -0.000) 16.336 35.298 ( 7.548 -0.000 -0.000) 7.548 37.543 ( 0.544 -0.000 -0.000) 0.544 37.883 ( 0.637 -0.000 -0.000) 0.637 38.694 ( -10.187 0.000 0.000) 10.187 40.189 ( 5.372 -0.000 -0.000) 5.372 ======================= Grid point 52 (38/417) ======================= q-point: ( 0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -0.000 20.305 0.939) 20.327 1.619 ( -0.000 23.119 0.102) 23.119 1.955 ( -0.000 15.515 -0.093) 15.515 2.446 ( -0.000 34.352 -0.526) 34.356 2.696 ( -0.000 23.890 1.127) 23.917 2.785 ( -0.000 4.901 -1.311) 5.073 3.711 ( -0.000 1.450 -0.378) 1.499 3.824 ( 0.000 0.245 0.316) 0.400 4.221 ( -0.000 11.551 -1.404) 11.636 4.465 ( -0.000 14.034 0.334) 14.038 5.437 ( 0.000 -4.986 -0.217) 4.991 5.723 ( 0.000 -9.996 1.539) 10.114 16.986 ( 0.000 -16.808 -2.368) 16.974 20.334 ( 0.000 -20.638 1.865) 20.722 21.183 ( -0.000 16.619 0.019) 16.619 24.957 ( -0.000 24.998 0.043) 24.998 25.373 ( -0.000 28.778 -1.031) 28.796 27.481 ( -0.000 26.383 -3.642) 26.633 34.625 ( 0.000 -19.740 0.851) 19.758 35.375 ( 0.000 -6.211 0.737) 6.255 37.521 ( 0.000 -2.811 -0.008) 2.811 37.884 ( 0.000 -2.087 -0.088) 2.088 38.619 ( -0.000 13.744 2.617) 13.991 40.195 ( -0.000 0.763 -6.564) 6.608 ======================= Grid point 53 (39/417) ======================= q-point: ( 0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 4.718 19.324 0.459) 19.897 1.912 ( 8.740 20.330 0.161) 22.130 2.164 ( 6.545 14.873 -0.269) 16.252 2.773 ( 0.809 2.447 -1.162) 2.828 2.805 ( 5.461 27.474 -0.707) 28.020 3.015 ( 3.387 24.769 1.589) 25.050 3.746 ( 2.288 1.905 -0.254) 2.988 3.840 ( 1.378 0.852 0.188) 1.631 4.358 ( 3.256 10.290 -0.788) 10.822 4.606 ( 0.549 14.139 -0.575) 14.161 5.377 ( -1.323 -4.803 -0.258) 4.989 5.606 ( -2.559 -10.113 1.733) 10.575 16.760 ( -6.079 -17.563 -2.591) 18.765 20.106 ( -4.227 -18.799 2.642) 19.448 21.468 ( 13.225 17.918 -0.059) 22.270 25.020 ( -14.341 23.750 -0.120) 27.744 25.804 ( 13.540 22.953 -0.496) 26.653 27.776 ( 8.913 17.742 -1.371) 19.902 34.417 ( -3.785 -15.410 0.144) 15.868 35.291 ( -2.467 -7.087 0.580) 7.527 37.511 ( 1.788 -2.272 -0.048) 2.892 37.870 ( 0.583 -1.382 0.015) 1.500 38.751 ( 1.080 9.554 1.846) 9.791 40.158 ( -1.981 -3.509 -3.934) 5.631 ======================= Grid point 54 (40/417) ======================= q-point: ( 0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 7.689 17.247 0.146) 18.884 2.274 ( 11.480 17.711 0.285) 21.108 2.426 ( 7.428 12.851 -0.795) 14.865 2.825 ( 2.710 4.315 -0.087) 5.096 3.147 ( 7.276 19.595 -1.938) 20.992 3.300 ( 4.769 17.921 2.410) 18.700 3.823 ( 3.809 3.552 0.015) 5.208 3.890 ( 2.495 2.892 -0.093) 3.821 4.507 ( 4.132 6.869 -0.080) 8.017 4.757 ( 2.174 12.860 -1.526) 13.131 5.305 ( -1.893 -4.011 -0.306) 4.446 5.455 ( -4.314 -9.379 1.968) 10.509 16.448 ( -9.487 -17.765 -2.590) 20.305 19.855 ( -6.100 -15.648 2.928) 17.049 21.932 ( 18.314 20.767 -0.168) 27.689 25.017 ( -8.133 15.353 0.025) 17.374 26.169 ( 7.894 14.375 -0.486) 16.407 28.081 ( 9.620 11.954 -0.097) 15.345 34.220 ( -4.347 -10.305 -0.180) 11.186 35.160 ( -4.320 -7.961 0.348) 9.064 37.535 ( 2.415 -0.251 -0.118) 2.430 37.881 ( 1.404 0.319 0.155) 1.448 38.839 ( 0.677 4.792 1.003) 4.942 40.038 ( -4.869 -8.049 -1.869) 9.591 ======================= Grid point 55 (41/417) ======================= q-point: ( 0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 9.151 14.547 -0.090) 17.186 2.605 ( 6.372 11.200 -0.939) 12.920 2.637 ( 7.235 12.671 0.199) 14.592 2.965 ( 5.277 9.952 0.651) 11.283 3.406 ( 6.689 10.295 -2.454) 12.520 3.519 ( 4.764 9.334 2.514) 10.777 3.940 ( 4.032 6.414 0.299) 7.583 3.984 ( 3.335 6.567 -0.266) 7.370 4.610 ( 2.123 2.606 -0.013) 3.361 4.919 ( 4.414 9.130 -1.501) 10.252 5.222 ( -3.333 -6.393 -0.577) 7.232 5.318 ( -2.485 -4.254 2.179) 5.387 16.104 ( -9.985 -17.268 -2.329) 20.082 19.620 ( -6.583 -11.623 2.645) 13.617 22.444 ( 14.863 25.634 -0.259) 29.633 25.052 ( 1.872 2.925 0.169) 3.477 26.345 ( 2.672 4.274 -0.567) 5.072 28.317 ( 5.671 10.014 0.365) 11.514 34.079 ( -3.147 -5.609 -0.194) 6.434 34.998 ( -5.188 -8.713 0.120) 10.142 37.582 ( 1.593 2.958 -0.165) 3.364 37.923 ( 1.647 2.666 0.241) 3.143 38.874 ( 0.591 0.482 0.340) 0.835 39.840 ( -6.870 -11.332 -0.632) 13.267 ======================= Grid point 56 (42/417) ======================= q-point: ( 0.44 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 8.943 11.301 -0.185) 14.412 2.723 ( 3.011 3.989 -0.957) 5.089 2.905 ( 5.308 14.696 0.608) 15.637 3.156 ( 2.715 13.188 0.726) 13.485 3.569 ( 5.720 3.731 -2.252) 7.191 3.654 ( 4.227 2.686 1.590) 5.255 4.074 ( 2.930 8.423 0.759) 8.951 4.121 ( 3.136 9.703 -0.437) 10.206 4.626 ( -1.334 0.096 -0.079) 1.340 5.013 ( -2.501 -4.323 0.715) 5.045 5.120 ( 2.953 -0.117 -1.762) 3.441 5.306 ( 2.302 -1.102 1.321) 2.873 15.785 ( -7.958 -15.823 -1.831) 17.806 19.425 ( -6.188 -7.084 1.989) 9.615 22.896 ( 5.366 31.214 -0.281) 31.673 25.144 ( 12.922 -9.113 0.232) 15.814 26.348 ( -0.784 -6.225 -0.595) 6.302 28.471 ( 1.219 10.167 0.442) 10.249 34.005 ( -1.542 -1.594 -0.093) 2.219 34.825 ( -4.772 -9.218 -0.052) 10.380 37.640 ( -0.301 6.581 -0.153) 6.590 37.985 ( 1.003 5.183 0.248) 5.285 38.877 ( 1.459 -3.086 -0.097) 3.415 39.602 ( -6.760 -12.947 0.018) 14.606 ======================= Grid point 57 (43/417) ======================= q-point: ( 0.50 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 6.532 7.497 -0.006) 9.944 2.801 ( 3.530 1.230 -0.580) 3.782 3.087 ( 0.271 13.002 0.361) 13.010 3.291 ( -2.261 13.139 0.573) 13.344 3.675 ( 4.823 0.996 -1.514) 5.152 3.730 ( 3.308 -0.246 0.388) 3.339 4.197 ( 1.334 8.726 1.241) 8.914 4.258 ( 0.710 11.360 -0.698) 11.403 4.583 ( -3.426 0.133 0.214) 3.435 4.862 ( -5.067 -7.476 0.304) 9.037 5.218 ( 6.362 -1.265 -0.859) 6.543 5.350 ( 4.548 -3.203 0.656) 5.601 15.538 ( -3.777 -13.337 -1.201) 13.914 19.286 ( -5.003 -2.689 1.201) 5.805 23.211 ( -6.007 34.442 -0.222) 34.962 25.314 ( 21.502 -15.944 0.224) 26.769 26.211 ( -1.885 -16.028 -0.593) 16.149 28.563 ( -2.259 10.632 0.368) 10.876 33.989 ( -0.661 1.593 -0.020) 1.725 34.670 ( -2.633 -9.297 -0.115) 9.664 37.694 ( -2.819 9.626 -0.081) 10.031 38.051 ( -0.640 7.203 0.179) 7.233 38.871 ( 3.086 -5.565 -0.350) 6.373 39.381 ( -3.987 -13.059 0.335) 13.658 ======================= Grid point 58 (44/417) ======================= q-point: ( 0.56 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 1.804 3.493 0.317) 3.944 2.857 ( 3.068 -1.591 -0.289) 3.468 3.171 ( -3.963 10.882 0.013) 11.582 3.341 ( -6.020 12.111 -0.019) 13.525 3.741 ( 2.414 -0.513 -1.522) 2.900 3.767 ( 2.102 -1.007 0.849) 2.480 4.281 ( -2.071 8.215 0.969) 8.527 4.352 ( -3.285 12.135 -0.510) 12.582 4.529 ( -2.873 0.406 0.199) 2.908 4.740 ( -0.960 -5.646 0.126) 5.728 5.284 ( 5.012 -4.928 -0.065) 7.029 5.384 ( 4.467 -5.971 0.008) 7.457 15.406 ( 1.956 -10.036 -0.570) 10.241 19.212 ( -2.899 0.753 0.469) 3.031 23.362 ( -15.041 33.677 -0.123) 36.883 25.526 ( 20.728 -17.797 0.186) 27.320 26.011 ( 2.707 -22.052 -0.574) 22.225 28.606 ( -4.831 10.436 0.242) 11.503 34.000 ( -1.298 3.302 -0.055) 3.549 34.572 ( 1.601 -8.299 -0.031) 8.452 37.727 ( -5.298 11.041 0.021) 12.246 38.094 ( -3.101 7.818 0.052) 8.411 38.874 ( 4.236 -6.677 -0.413) 7.919 39.238 ( 1.701 -11.394 0.426) 11.528 ======================= Grid point 59 (45/417) ======================= q-point: (-0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( -4.010 0.132 0.258) 4.020 2.862 ( 0.397 -3.404 0.223) 3.434 3.168 ( -7.649 8.690 -0.254) 11.580 3.335 ( -8.013 11.199 -0.624) 13.785 3.734 ( -0.518 -2.217 -1.335) 2.639 3.782 ( 0.303 -1.963 1.548) 2.518 4.271 ( -6.922 5.599 -0.023) 8.903 4.361 ( -8.377 9.220 0.410) 12.464 4.521 ( 0.817 2.282 -0.586) 2.494 4.742 ( 5.411 -1.928 0.384) 5.757 5.290 ( 2.274 -6.459 0.601) 6.874 5.378 ( 2.502 -7.126 -0.570) 7.574 15.411 ( 8.258 -6.452 -0.064) 10.480 19.206 ( 0.223 2.643 -0.077) 2.654 23.363 ( -21.559 29.931 -0.036) 36.887 25.523 ( 4.859 -26.945 -0.131) 27.380 26.014 ( 17.998 -13.188 -0.242) 22.314 28.605 ( -6.762 9.311 0.120) 11.508 33.999 ( -2.250 2.742 -0.136) 3.550 34.573 ( 6.489 -5.468 0.108) 8.486 37.728 ( -6.853 10.149 0.105) 12.247 38.093 ( -5.314 6.517 -0.069) 8.409 38.875 ( 3.792 -6.857 -0.279) 7.841 39.237 ( 8.895 -7.309 0.309) 11.517 ======================= Grid point 60 (46/417) ======================= q-point: (-0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( -9.782 -1.811 -0.100) 9.949 2.813 ( -2.381 -2.780 0.591) 3.708 3.079 ( -11.537 6.084 -0.379) 13.048 3.279 ( -10.393 8.853 -0.558) 13.664 3.686 ( -2.104 -2.747 -0.540) 3.502 3.735 ( -2.765 -3.840 0.975) 4.831 4.182 ( -8.330 3.534 -0.253) 9.052 4.268 ( -10.141 4.677 0.376) 11.174 4.577 ( 1.914 3.239 -0.451) 3.790 4.860 ( 8.600 0.394 0.191) 8.611 5.238 ( -1.528 -5.904 1.028) 6.185 5.334 ( 0.082 -5.661 -0.908) 5.734 15.553 ( 13.968 -3.243 0.222) 14.341 19.270 ( 4.221 2.884 -0.356) 5.125 23.213 ( -26.775 22.501 0.009) 34.974 25.309 ( 3.032 -26.542 -0.222) 26.715 26.216 ( 14.886 -6.265 -0.076) 16.151 28.560 ( -8.178 7.179 0.036) 10.882 33.988 ( -1.001 1.406 -0.124) 1.730 34.673 ( 9.363 -2.384 0.142) 9.663 37.696 ( -6.890 7.268 0.128) 10.016 38.048 ( -5.963 4.106 -0.113) 7.240 38.873 ( 3.187 -5.323 -0.183) 6.207 39.379 ( 13.402 -3.203 0.208) 13.781 ======================= Grid point 61 (47/417) ======================= q-point: (-0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -14.352 -1.739 -0.236) 14.459 2.738 ( -4.466 -1.096 0.499) 4.626 2.894 ( -15.486 2.825 -0.324) 15.745 3.148 ( -12.774 4.418 -0.096) 13.517 3.601 ( -5.467 -2.184 -0.172) 5.889 3.629 ( -5.576 -3.297 0.268) 6.483 4.065 ( -8.562 1.881 -0.135) 8.767 4.127 ( -10.039 1.886 0.203) 10.216 4.625 ( 0.717 1.356 -0.195) 1.546 5.005 ( 5.494 0.052 -0.040) 5.495 5.150 ( -1.355 -2.905 0.846) 3.315 5.283 ( -0.765 -2.403 -0.672) 2.610 15.806 ( 18.133 -0.967 0.237) 18.160 19.401 ( 8.660 1.837 -0.326) 8.859 22.899 ( -29.714 11.024 0.010) 31.693 25.140 ( 1.444 -15.633 -0.133) 15.700 26.354 ( 5.789 -2.287 -0.029) 6.224 28.467 ( -9.436 3.938 0.004) 10.225 34.006 ( 2.231 0.622 -0.051) 2.317 34.827 ( 10.291 -0.571 0.081) 10.307 37.643 ( -5.529 3.505 0.085) 6.547 37.981 ( -5.006 1.744 -0.082) 5.302 38.877 ( 1.704 -2.631 -0.138) 3.138 39.603 ( 14.906 -0.792 0.155) 14.928 ======================= Grid point 62 (48/417) ======================= q-point: (-0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -17.382 0.000 0.000) 17.382 2.617 ( -18.810 0.000 0.000) 18.810 2.632 ( -8.448 0.000 0.000) 8.448 2.958 ( -11.058 0.000 0.000) 11.058 3.442 ( -12.691 0.000 0.000) 12.691 3.482 ( -10.406 0.000 0.000) 10.406 3.937 ( -7.464 0.000 0.000) 7.464 3.987 ( -7.321 0.000 0.000) 7.321 4.610 ( -3.529 0.000 0.000) 3.529 4.933 ( -9.401 0.000 0.000) 9.401 5.252 ( 10.441 -0.000 -0.000) 10.441 5.273 ( 1.214 -0.000 -0.000) 1.214 16.129 ( 20.270 -0.000 -0.000) 20.270 19.592 ( 12.933 -0.000 -0.000) 12.933 22.447 ( -29.670 0.000 0.000) 29.670 25.050 ( -3.435 0.000 0.000) 3.435 26.351 ( -5.080 0.000 0.000) 5.080 28.313 ( -11.373 0.000 0.000) 11.373 34.081 ( 6.470 -0.000 -0.000) 6.470 34.997 ( 10.028 -0.000 -0.000) 10.028 37.584 ( -3.351 0.000 0.000) 3.351 37.920 ( -3.125 0.000 0.000) 3.125 38.871 ( -1.103 0.000 0.000) 1.103 39.846 ( 13.866 -0.000 -0.000) 13.866 ======================= Grid point 69 (49/417) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -0.000 19.781 -0.098) 19.781 2.025 ( -0.000 18.636 0.035) 18.636 2.245 ( -0.000 14.104 -0.021) 14.104 2.786 ( -0.000 2.518 -0.514) 2.570 3.027 ( -0.000 25.783 -1.535) 25.828 3.233 ( -0.000 23.557 2.093) 23.650 3.740 ( -0.000 1.675 -0.492) 1.746 3.831 ( 0.000 0.263 0.433) 0.506 4.432 ( -0.000 9.977 -0.927) 10.020 4.742 ( -0.000 14.496 -0.588) 14.508 5.343 ( 0.000 -4.248 -0.371) 4.264 5.531 ( 0.000 -10.146 1.912) 10.324 16.636 ( 0.000 -17.705 -2.770) 17.921 19.961 ( 0.000 -18.811 2.939) 19.040 21.511 ( -0.000 16.801 -0.119) 16.801 25.462 ( -0.000 26.295 0.069) 26.295 25.864 ( -0.000 21.652 -0.748) 21.664 27.836 ( -0.000 11.801 -0.541) 11.813 34.304 ( 0.000 -13.535 -0.097) 13.535 35.243 ( 0.000 -7.540 0.551) 7.560 37.465 ( 0.000 -2.823 -0.033) 2.824 37.847 ( 0.000 -1.623 0.007) 1.623 38.838 ( -0.000 8.338 1.300) 8.439 40.128 ( -0.000 -5.637 -2.640) 6.225 ======================= Grid point 70 (50/417) ======================= q-point: ( 0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 3.200 18.637 -0.344) 18.913 2.265 ( 8.001 15.979 0.056) 17.870 2.430 ( 5.799 12.494 -0.252) 13.776 2.825 ( 1.430 3.813 0.049) 4.073 3.267 ( 1.811 19.898 -1.973) 20.077 3.451 ( 0.161 18.738 2.398) 18.891 3.787 ( 3.530 2.623 -0.382) 4.414 3.860 ( 2.927 1.152 0.362) 3.166 4.527 ( 1.439 6.633 -0.728) 6.827 4.876 ( -0.335 13.752 -0.845) 13.782 5.295 ( -1.245 -3.454 -0.741) 3.745 5.424 ( -2.094 -8.442 2.287) 8.994 16.407 ( -6.099 -17.298 -2.692) 18.538 19.770 ( -2.280 -16.874 2.978) 17.286 21.804 ( 15.066 16.337 -0.202) 22.225 25.481 ( -20.135 23.110 -0.009) 30.651 26.177 ( 8.703 15.618 -0.614) 17.890 28.008 ( 9.001 7.243 0.125) 11.554 34.171 ( -1.773 -10.010 -0.244) 10.169 35.145 ( -2.756 -7.934 0.378) 8.407 37.468 ( 3.226 -2.059 -0.063) 3.828 37.849 ( 1.806 -0.723 0.092) 1.948 38.901 ( -1.131 5.683 0.681) 5.834 40.028 ( -3.399 -8.471 -1.337) 9.225 ======================= Grid point 71 (51/417) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 5.286 16.338 -0.371) 17.176 2.578 ( 11.055 13.354 -0.055) 17.336 2.634 ( 4.869 9.169 -0.645) 10.402 2.935 ( 6.558 6.311 0.900) 9.146 3.449 ( 1.458 12.529 -2.190) 12.803 3.596 ( -0.596 11.026 2.064) 11.234 3.908 ( 5.972 5.181 0.146) 7.907 3.961 ( 5.712 4.634 0.085) 7.356 4.595 ( 1.721 1.753 -0.492) 2.505 4.989 ( -0.428 10.556 -0.686) 10.587 5.215 ( -3.133 -5.696 -1.088) 6.592 5.333 ( -2.489 -2.089 2.284) 3.971 16.102 ( -9.500 -16.363 -2.379) 19.070 19.582 ( -2.996 -13.431 2.640) 14.012 22.301 ( 23.780 16.973 -0.277) 29.217 25.325 ( -20.071 15.972 0.099) 25.651 26.366 ( 1.124 6.309 -0.649) 6.441 28.250 ( 11.141 5.932 0.433) 12.629 34.062 ( -1.653 -6.047 -0.229) 6.273 35.002 ( -4.858 -8.311 0.164) 9.628 37.532 ( 5.416 -0.012 -0.107) 5.417 37.896 ( 3.478 1.098 0.185) 3.652 38.911 ( -2.552 2.622 0.178) 3.663 39.846 ( -6.599 -10.769 -0.431) 12.637 ======================= Grid point 72 (52/417) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 6.257 13.248 -0.270) 14.654 2.731 ( 1.015 5.156 -0.882) 5.329 2.900 ( 10.676 11.731 0.597) 15.873 3.157 ( 9.622 8.428 0.744) 12.812 3.556 ( 1.242 6.562 -1.989) 6.968 3.666 ( -0.482 5.414 1.280) 5.584 4.073 ( 6.158 6.746 0.676) 9.159 4.127 ( 6.203 7.797 -0.277) 9.967 4.619 ( 1.345 -1.376 -0.162) 1.931 5.017 ( -2.796 -4.552 0.780) 5.399 5.127 ( -2.222 3.625 -1.903) 4.658 5.301 ( -1.608 0.773 1.448) 2.298 15.781 ( -9.691 -14.798 -1.884) 17.788 19.427 ( -2.906 -9.043 2.018) 9.711 22.895 ( 24.464 20.221 -0.300) 31.741 25.141 ( -14.086 6.475 0.194) 15.504 26.343 ( -4.691 -3.972 -0.653) 6.181 28.474 ( 8.016 6.245 0.478) 10.173 34.003 ( -0.434 -2.242 -0.122) 2.287 34.828 ( -5.823 -8.656 -0.022) 10.432 37.642 ( 5.701 3.130 -0.133) 6.505 37.984 ( 4.107 3.400 0.237) 5.337 38.872 ( -2.999 -0.531 -0.161) 3.049 39.607 ( -8.254 -12.049 0.083) 14.606 ======================= Grid point 73 (53/417) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 5.720 9.734 0.005) 11.290 2.778 ( 0.819 2.154 -0.513) 2.361 3.156 ( 6.231 10.622 0.762) 12.338 3.380 ( 6.024 8.779 0.044) 10.647 3.626 ( 2.235 3.137 -1.398) 4.098 3.699 ( 0.165 1.936 0.387) 1.982 4.232 ( 4.097 7.278 1.032) 8.416 4.309 ( 5.337 9.455 -0.481) 10.868 4.623 ( 0.219 -0.308 0.207) 0.431 4.872 ( -4.998 -8.248 0.376) 9.651 5.152 ( 0.452 2.053 -1.219) 2.430 5.286 ( -0.299 -1.553 0.899) 1.819 15.500 ( -7.084 -12.422 -1.294) 14.358 19.319 ( -2.557 -4.519 1.294) 5.351 23.474 ( 15.762 27.306 -0.245) 31.530 25.008 ( -2.053 -3.944 0.211) 4.451 26.142 ( -8.039 -14.312 -0.603) 16.426 28.636 ( 3.712 6.656 0.396) 7.632 34.002 ( 0.854 1.234 -0.012) 1.501 34.646 ( -5.307 -8.981 -0.135) 10.432 37.774 ( 3.858 6.938 -0.109) 7.939 38.092 ( 3.254 5.462 0.231) 6.362 38.809 ( -1.694 -3.444 -0.381) 3.857 39.351 ( -7.554 -12.547 0.345) 14.650 ======================= Grid point 74 (54/417) ======================= q-point: ( 0.56 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 2.977 6.298 0.483) 6.983 2.802 ( 1.475 -0.840 -0.514) 1.774 3.308 ( 0.197 9.281 0.612) 9.304 3.512 ( -0.536 8.961 -0.643) 9.000 3.691 ( 2.902 1.302 -0.685) 3.253 3.718 ( 1.724 -0.949 -0.032) 1.968 4.352 ( 1.960 6.415 1.201) 6.814 4.474 ( 2.372 10.760 -0.424) 11.027 4.619 ( -3.063 3.637 0.392) 4.772 4.719 ( -3.770 -7.030 -0.111) 7.978 5.166 ( 2.496 -3.562 -0.533) 4.382 5.264 ( 1.841 -5.706 0.363) 6.007 15.311 ( -2.322 -9.276 -0.718) 9.589 19.257 ( -2.044 -0.866 0.637) 2.309 23.895 ( -3.569 35.463 -0.100) 35.642 25.043 ( 15.777 -11.409 0.153) 19.470 25.815 ( -7.410 -24.111 -0.540) 25.230 28.731 ( -0.096 6.439 0.266) 6.445 34.046 ( 0.711 4.254 0.026) 4.313 34.488 ( -2.408 -9.243 -0.133) 9.553 37.892 ( -0.380 10.462 -0.019) 10.469 38.185 ( 0.767 5.743 0.140) 5.796 38.763 ( 1.361 -4.579 -0.511) 4.804 39.130 ( -3.576 -12.628 0.476) 13.133 ======================= Grid point 75 (55/417) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( -1.981 2.973 0.662) 3.633 2.812 ( 1.801 -2.511 -0.448) 3.122 3.351 ( -4.523 7.181 0.218) 8.490 3.546 ( -5.007 8.684 -0.897) 10.064 3.713 ( 0.441 -1.467 -1.406) 2.079 3.749 ( 2.062 -1.543 1.417) 2.939 4.405 ( -2.978 3.562 0.737) 4.701 4.576 ( -1.909 8.523 -0.355) 8.742 4.585 ( -6.933 6.448 0.346) 9.475 4.643 ( 2.476 -3.484 -0.184) 4.278 5.173 ( 3.904 -5.768 0.257) 6.970 5.246 ( 3.956 -7.642 -0.279) 8.610 15.248 ( 3.684 -5.736 -0.261) 6.822 19.234 ( -0.985 1.102 0.163) 1.487 24.031 ( -19.705 34.245 0.033) 39.510 25.214 ( 8.488 -15.377 0.049) 17.564 25.547 ( 13.831 -23.065 -0.407) 26.898 28.760 ( -3.193 5.316 0.138) 6.202 34.080 ( -2.809 4.718 -0.055) 5.491 34.416 ( 4.424 -7.420 0.002) 8.639 37.944 ( -6.095 10.654 0.094) 12.275 38.219 ( -2.294 3.747 -0.036) 4.393 38.761 ( 2.400 -3.581 -0.416) 4.331 39.026 ( 5.543 -10.111 0.418) 11.538 ======================= Grid point 76 (56/417) ======================= q-point: (-0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( -6.786 0.257 0.200) 6.794 2.810 ( 0.186 -1.615 -0.002) 1.626 3.298 ( -8.383 3.989 -0.037) 9.284 3.511 ( -7.941 6.217 -0.674) 10.107 3.690 ( -0.992 -1.497 -0.574) 1.885 3.738 ( -1.057 -2.604 1.000) 2.983 4.336 ( -6.704 1.212 0.098) 6.813 4.480 ( -10.175 2.926 -0.011) 10.588 4.611 ( -1.852 4.967 -0.122) 5.303 4.721 ( 7.668 -0.490 0.094) 7.685 5.183 ( 2.365 -3.784 0.575) 4.499 5.250 ( 3.604 -4.507 -0.528) 5.795 15.322 ( 9.783 -2.424 -0.006) 10.079 19.246 ( 1.154 1.219 -0.058) 1.680 23.897 ( -28.806 20.835 0.047) 35.552 25.038 ( 1.944 -19.268 -0.133) 19.366 25.823 ( 24.726 -5.468 -0.075) 25.323 28.727 ( -5.690 3.188 0.043) 6.523 34.045 ( -4.020 1.541 -0.074) 4.306 34.491 ( 9.255 -2.524 0.063) 9.593 37.893 ( -8.809 5.523 0.090) 10.397 38.181 ( -5.437 2.167 -0.078) 5.854 38.769 ( 3.291 -3.150 -0.130) 4.557 39.125 ( 12.706 -3.507 0.145) 13.182 ======================= Grid point 77 (57/417) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( -10.935 0.000 0.000) 10.935 2.786 ( -2.079 0.000 0.000) 2.079 3.144 ( -12.239 0.000 0.000) 12.239 3.380 ( -11.333 0.000 0.000) 11.333 3.654 ( -2.415 0.000 0.000) 2.415 3.686 ( -3.279 0.000 0.000) 3.279 4.217 ( -8.140 0.000 0.000) 8.140 4.315 ( -10.835 0.000 0.000) 10.835 4.620 ( 0.416 -0.000 -0.000) 0.416 4.865 ( 9.225 -0.000 -0.000) 9.225 5.174 ( -1.400 0.000 0.000) 1.400 5.269 ( 1.043 -0.000 -0.000) 1.043 15.520 ( 14.856 -0.000 -0.000) 14.856 19.299 ( 4.528 -0.000 -0.000) 4.528 23.478 ( -31.435 0.000 0.000) 31.435 25.005 ( 4.416 -0.000 -0.000) 4.416 26.151 ( 16.477 -0.000 -0.000) 16.477 28.630 ( -7.728 0.000 0.000) 7.728 34.003 ( -1.416 0.000 0.000) 1.416 34.648 ( 10.373 -0.000 -0.000) 10.373 37.775 ( -7.886 0.000 0.000) 7.886 38.088 ( -6.394 0.000 0.000) 6.394 38.815 ( 3.662 -0.000 -0.000) 3.662 39.346 ( 14.816 -0.000 -0.000) 14.816 ======================= Grid point 86 (58/417) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -0.000 18.492 -0.630) 18.503 2.340 ( -0.000 13.787 -0.001) 13.787 2.495 ( -0.000 11.438 0.023) 11.438 2.854 ( -0.000 4.424 0.182) 4.427 3.432 ( -0.000 16.894 -1.991) 17.011 3.636 ( -0.000 16.818 2.399) 16.989 3.771 ( -0.000 1.699 -0.587) 1.798 3.837 ( 0.000 0.217 0.542) 0.583 4.567 ( -0.000 3.570 -0.875) 3.676 5.008 ( -0.000 12.049 -0.314) 12.053 5.270 ( 0.000 -3.747 -1.500) 4.036 5.384 ( 0.000 -3.545 2.627) 4.412 16.292 ( 0.000 -16.294 -2.590) 16.499 19.631 ( 0.000 -16.233 2.834) 16.478 21.817 ( -0.000 14.437 -0.240) 14.439 25.952 ( -0.000 23.566 0.087) 23.566 26.203 ( -0.000 13.769 -0.729) 13.789 27.969 ( -0.000 2.804 0.358) 2.827 34.094 ( 0.000 -8.202 -0.272) 8.206 35.094 ( 0.000 -7.734 0.290) 7.739 37.414 ( 0.000 -2.373 -0.059) 2.373 37.823 ( 0.000 -0.889 0.107) 0.896 38.967 ( -0.000 4.972 0.305) 4.981 39.970 ( 0.000 -9.423 -0.674) 9.447 ======================= Grid point 87 (59/417) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 1.929 16.825 -0.574) 16.944 2.530 ( 7.731 11.247 -0.001) 13.647 2.643 ( 4.609 9.596 -0.306) 10.650 2.913 ( 2.069 4.664 0.714) 5.152 3.563 ( -0.916 11.734 -1.923) 11.925 3.727 ( -2.901 7.717 1.142) 8.323 3.859 ( 5.014 4.751 0.368) 6.917 3.898 ( 5.972 3.771 0.542) 7.084 4.584 ( 0.370 -0.351 -0.721) 0.883 5.080 ( -1.140 2.134 0.761) 2.537 5.229 ( -2.061 2.030 -2.097) 3.573 5.373 ( -1.539 2.236 2.043) 3.397 16.082 ( -6.107 -14.733 -2.260) 16.108 19.482 ( -0.634 -13.753 2.444) 13.983 22.088 ( 16.071 12.775 -0.277) 20.532 25.894 ( -23.538 18.982 0.033) 30.238 26.407 ( 3.247 8.585 -0.621) 9.200 28.089 ( 11.121 1.744 0.481) 11.268 34.021 ( -0.454 -5.537 -0.227) 5.560 34.994 ( -3.119 -7.475 0.138) 8.100 37.432 ( 4.517 -1.539 -0.073) 4.773 37.842 ( 2.993 -0.070 0.152) 2.997 38.988 ( -2.505 3.458 -0.013) 4.270 39.838 ( -4.189 -10.172 -0.142) 11.002 ======================= Grid point 88 (60/417) ======================= q-point: ( 0.44 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 3.225 13.851 -0.295) 14.225 2.774 ( 2.224 7.324 -1.036) 7.724 2.803 ( 10.676 8.342 0.333) 13.553 3.049 ( 9.154 4.372 1.177) 10.213 3.625 ( -1.504 6.720 -1.567) 7.062 3.746 ( -1.909 4.723 0.485) 5.117 4.011 ( 7.659 4.818 0.611) 9.069 4.072 ( 7.659 6.119 0.195) 9.805 4.576 ( 0.835 -2.794 -0.309) 2.933 5.009 ( -2.945 -7.330 0.693) 7.930 5.240 ( -3.619 8.409 -1.629) 9.299 5.369 ( -3.061 3.552 1.382) 4.888 15.809 ( -9.534 -12.653 -1.766) 15.941 19.363 ( -0.268 -9.964 1.858) 10.139 22.579 ( 27.476 11.684 -0.279) 29.858 25.624 ( -26.830 14.605 0.166) 30.548 26.415 ( -6.198 -0.724 -0.649) 6.273 28.333 ( 13.650 2.827 0.467) 13.947 33.979 ( 0.335 -2.629 -0.128) 2.653 34.849 ( -5.589 -7.201 -0.011) 9.116 37.533 ( 8.062 0.161 -0.086) 8.064 37.922 ( 5.561 1.405 0.180) 5.738 38.950 ( -4.892 1.614 -0.222) 5.156 39.637 ( -7.713 -10.243 0.178) 12.824 ======================= Grid point 89 (61/417) ======================= q-point: ( 0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 3.950 10.172 0.044) 10.912 2.813 ( -1.689 3.497 -0.604) 3.930 3.082 ( 11.914 6.785 0.442) 13.717 3.276 ( 11.761 3.633 0.492) 12.319 3.651 ( -0.911 3.789 -1.087) 4.046 3.755 ( -2.035 3.681 -0.064) 4.206 4.199 ( 7.768 5.752 1.077) 9.726 4.267 ( 8.294 6.457 -0.500) 10.523 4.570 ( 2.493 -3.213 0.208) 4.072 4.872 ( -4.363 -7.707 0.275) 8.860 5.235 ( -4.908 5.412 -1.127) 7.392 5.335 ( -4.500 1.702 0.940) 4.902 15.530 ( -9.556 -10.026 -1.201) 13.902 19.290 ( 0.230 -5.727 1.200) 5.856 23.208 ( 33.039 11.996 -0.222) 35.150 25.309 ( -24.403 10.618 0.222) 26.614 26.201 ( -12.617 -9.894 -0.590) 16.045 28.569 ( 10.142 3.463 0.365) 10.723 33.985 ( 1.888 0.136 -0.021) 1.893 34.673 ( -6.920 -6.901 -0.114) 9.774 37.697 ( 9.690 2.441 -0.083) 9.993 38.049 ( 6.584 3.017 0.181) 7.245 38.861 ( -6.063 -0.358 -0.338) 6.083 39.392 ( -9.657 -9.696 0.323) 13.688 ======================= Grid point 90 (62/417) ======================= q-point: ( 0.56 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 3.721 6.705 0.426) 7.680 2.799 ( -1.744 0.183 -0.515) 1.828 3.314 ( 8.046 5.277 0.693) 9.647 3.485 ( 8.854 2.696 -0.478) 9.267 3.669 ( 0.502 1.335 -0.374) 1.475 3.748 ( -2.524 2.935 -0.443) 3.896 4.362 ( 4.255 5.621 1.130) 7.139 4.472 ( 7.927 7.291 -0.411) 10.778 4.616 ( 5.463 -0.756 0.380) 5.528 4.722 ( -4.859 -6.878 -0.139) 8.422 5.177 ( -5.201 0.997 -0.796) 5.355 5.254 ( -5.050 -1.883 0.624) 5.426 15.307 ( -6.626 -6.837 -0.661) 9.544 19.259 ( 0.226 -2.122 0.610) 2.219 23.896 ( 32.584 14.733 -0.110) 35.760 25.039 ( -17.611 7.854 0.192) 19.284 25.810 ( -16.785 -18.756 -0.470) 25.175 28.734 ( 5.413 3.254 0.229) 6.320 34.044 ( 3.525 2.661 0.052) 4.416 34.489 ( -6.939 -6.676 -0.147) 9.631 37.894 ( 9.091 5.039 -0.053) 10.395 38.183 ( 4.684 3.444 0.160) 5.816 38.756 ( -4.245 -1.496 -0.411) 4.520 39.137 ( -9.588 -9.011 0.372) 13.163 ======================= Grid point 91 (63/417) ======================= q-point: ( 0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( 1.034 4.779 0.907) 4.973 2.763 ( -0.211 -2.899 -0.843) 3.026 3.440 ( 1.205 3.645 0.496) 3.871 3.615 ( 3.913 2.336 -1.215) 4.717 3.694 ( 2.082 -1.002 0.494) 2.363 3.726 ( -2.578 1.590 -0.231) 3.038 4.462 ( 1.473 4.938 1.090) 5.267 4.578 ( -2.685 -5.527 -0.496) 6.165 4.652 ( 3.198 5.401 -0.139) 6.279 4.712 ( 2.220 3.597 0.083) 4.228 5.102 ( -1.737 -1.650 -0.356) 2.422 5.149 ( -2.294 -5.325 0.262) 5.804 15.185 ( -1.644 -3.320 -0.237) 3.712 19.251 ( -0.226 -0.112 0.191) 0.316 24.539 ( 15.213 27.218 0.084) 31.181 24.912 ( 0.965 0.777 0.084) 1.242 25.293 ( -16.033 -28.341 -0.354) 32.564 28.814 ( 1.085 2.133 0.097) 2.395 34.148 ( 3.386 5.752 0.069) 6.675 34.320 ( -4.319 -7.471 -0.110) 8.630 38.081 ( 4.487 8.206 0.017) 9.352 38.230 ( -0.834 -1.753 0.052) 1.942 38.734 ( 2.105 2.367 -0.470) 3.202 38.912 ( -6.009 -9.138 0.437) 10.945 ======================= Grid point 92 (64/417) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( -4.562 0.000 0.000) 4.562 2.778 ( 2.501 -0.000 -0.000) 2.501 3.428 ( -4.513 0.000 0.000) 4.513 3.643 ( -3.283 0.000 0.000) 3.283 3.693 ( -0.848 0.000 0.000) 0.848 3.723 ( 1.401 -0.000 -0.000) 1.401 4.439 ( -5.469 0.000 0.000) 5.469 4.587 ( 5.176 -0.000 -0.000) 5.176 4.655 ( -5.544 0.000 0.000) 5.544 4.710 ( -4.576 0.000 0.000) 4.576 5.111 ( 2.944 -0.000 -0.000) 2.944 5.142 ( 5.303 -0.000 -0.000) 5.303 15.190 ( 4.236 -0.000 -0.000) 4.236 19.246 ( -0.257 0.000 0.000) 0.257 24.537 ( -30.907 0.000 0.000) 30.907 24.910 ( -1.260 0.000 0.000) 1.260 25.301 ( 32.759 -0.000 -0.000) 32.759 28.812 ( -2.593 0.000 0.000) 2.593 34.147 ( -6.676 0.000 0.000) 6.676 34.322 ( 8.717 -0.000 -0.000) 8.717 38.081 ( -9.277 0.000 0.000) 9.277 38.229 ( 1.725 -0.000 -0.000) 1.725 38.746 ( -3.083 0.000 0.000) 3.083 38.901 ( 10.968 -0.000 -0.000) 10.968 ======================= Grid point 103 (65/417) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( -0.000 15.827 -0.590) 15.838 2.560 ( -0.000 8.923 0.007) 8.923 2.685 ( -0.000 8.066 0.014) 8.066 2.948 ( -0.000 4.647 0.484) 4.672 3.679 ( -0.000 9.735 -1.821) 9.904 3.800 ( -0.000 1.493 -0.645) 1.626 3.843 ( 0.000 0.079 0.619) 0.624 3.899 ( -0.000 9.252 1.872) 9.439 4.568 ( 0.000 -2.158 -0.574) 2.233 5.061 ( 0.000 -6.435 0.797) 6.484 5.309 ( -0.000 9.335 -1.759) 9.499 5.427 ( -0.000 4.822 1.582) 5.075 15.998 ( 0.000 -12.600 -1.946) 12.749 19.363 ( 0.000 -12.197 2.056) 12.369 22.059 ( -0.000 10.357 -0.268) 10.360 26.356 ( -0.000 17.545 0.082) 17.545 26.403 ( -0.000 7.437 -0.610) 7.462 27.980 ( 0.000 -1.106 0.471) 1.202 33.975 ( 0.000 -4.191 -0.181) 4.195 34.954 ( 0.000 -6.497 0.064) 6.498 37.375 ( 0.000 -1.636 -0.066) 1.637 37.813 ( 0.000 -0.276 0.150) 0.314 39.044 ( -0.000 3.136 -0.174) 3.141 39.779 ( 0.000 -9.490 0.110) 9.490 ======================= Grid point 104 (66/417) ======================= q-point: ( 0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 0.732 12.963 -0.291) 12.987 2.702 ( 7.626 6.537 -0.027) 10.044 2.801 ( 4.460 6.887 -0.441) 8.217 2.992 ( 1.246 2.695 0.863) 3.092 3.717 ( -2.888 5.077 -1.158) 5.955 3.804 ( -0.848 2.226 -0.417) 2.418 3.921 ( 7.100 2.508 0.264) 7.534 4.016 ( 4.866 4.709 1.067) 6.855 4.543 ( -0.058 -2.527 -0.198) 2.536 4.980 ( -1.766 -6.889 0.460) 7.126 5.374 ( -2.444 8.193 -1.210) 8.636 5.460 ( -2.190 4.811 1.128) 5.405 15.832 ( -6.111 -9.973 -1.473) 11.788 19.266 ( 0.650 -9.111 1.519) 9.259 22.290 ( 16.558 8.025 -0.238) 18.402 26.208 ( -23.218 13.216 0.076) 26.716 26.512 ( -3.879 2.646 -0.494) 4.722 28.103 ( 13.911 -0.047 0.402) 13.917 33.946 ( 0.474 -2.394 -0.107) 2.443 34.866 ( -3.532 -5.482 -0.019) 6.521 37.408 ( 5.489 -0.905 -0.060) 5.563 37.845 ( 3.959 0.246 0.142) 3.969 39.042 ( -3.356 2.246 -0.262) 4.047 39.654 ( -4.606 -8.319 0.250) 9.512 ======================= Grid point 105 (67/417) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 1.643 8.660 0.063) 8.815 2.888 ( -1.582 4.850 -0.940) 5.188 2.927 ( 11.580 4.206 0.129) 12.321 3.102 ( 10.631 0.691 1.005) 10.701 3.708 ( -2.116 2.516 -0.638) 3.349 3.811 ( -1.087 2.327 -0.445) 2.606 4.097 ( 9.498 3.823 0.485) 10.250 4.162 ( 8.654 2.350 0.120) 8.968 4.520 ( 0.162 -2.112 0.202) 2.128 4.874 ( -3.560 -5.683 0.156) 6.708 5.375 ( -4.988 5.159 -0.801) 7.221 5.444 ( -4.718 3.041 0.735) 5.661 15.610 ( -9.554 -6.933 -0.929) 11.840 19.218 ( 1.672 -5.336 0.927) 5.668 22.748 ( 29.288 5.867 -0.173) 29.871 25.885 ( -28.395 11.838 0.242) 30.765 26.347 ( -12.923 -5.480 -0.521) 14.047 28.373 ( 15.552 1.246 0.279) 15.605 33.949 ( 1.793 -0.637 -0.032) 1.904 34.734 ( -6.389 -4.345 -0.071) 7.727 37.536 ( 9.873 0.157 -0.049) 9.874 37.947 ( 7.176 1.000 0.113) 7.246 38.975 ( -6.359 1.088 -0.262) 6.457 39.471 ( -8.451 -6.479 0.268) 10.652 ======================= Grid point 106 (68/417) ======================= q-point: ( 0.56 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 2.833 4.170 0.197) 5.046 2.857 ( -4.051 1.158 -0.353) 4.228 3.169 ( 12.511 2.115 0.159) 12.689 3.315 ( 12.460 0.688 0.192) 12.480 3.694 ( -1.463 1.101 -0.302) 1.855 3.806 ( -1.686 1.501 -0.315) 2.279 4.293 ( 9.146 2.995 0.721) 9.650 4.360 ( 11.711 2.964 -0.536) 12.092 4.515 ( 1.954 -2.059 0.418) 2.869 4.755 ( -5.137 -3.720 -0.074) 6.343 5.305 ( -7.084 1.974 -0.452) 7.367 5.363 ( -7.103 0.726 0.398) 7.152 15.393 ( -9.496 -3.555 -0.410) 10.148 19.218 ( 2.074 -1.959 0.391) 2.880 23.359 ( 36.982 3.770 -0.079) 37.173 25.525 ( -25.800 9.502 0.202) 27.495 25.992 ( -20.067 -9.265 -0.344) 22.106 28.614 ( 11.255 1.129 0.134) 11.312 33.995 ( 3.667 0.521 0.014) 3.704 34.575 ( -8.130 -2.810 -0.069) 8.602 37.731 ( 12.245 0.934 -0.028) 12.281 38.093 ( 8.262 1.250 0.069) 8.356 38.858 ( -7.738 0.081 -0.186) 7.740 39.255 ( -10.939 -3.957 0.184) 11.634 ======================= Grid point 107 (69/417) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 3.857 -0.000 -0.000) 3.857 2.793 ( -3.766 0.000 0.000) 3.766 3.367 ( 9.025 -0.000 -0.000) 9.025 3.507 ( 9.399 -0.000 -0.000) 9.399 3.680 ( -0.619 0.000 0.000) 0.619 3.780 ( -2.348 0.000 0.000) 2.348 4.434 ( 4.764 -0.000 -0.000) 4.764 4.570 ( 6.991 -0.000 -0.000) 6.991 4.587 ( 11.586 -0.000 -0.000) 11.586 4.638 ( -6.111 0.000 0.000) 6.111 5.186 ( -7.371 0.000 0.000) 7.371 5.232 ( -8.181 0.000 0.000) 8.181 15.238 ( -6.481 0.000 0.000) 6.481 19.240 ( 1.284 -0.000 -0.000) 1.284 24.032 ( 39.800 -0.000 -0.000) 39.800 25.216 ( -17.666 0.000 0.000) 17.666 25.531 ( -26.497 0.000 0.000) 26.497 28.765 ( 5.989 -0.000 -0.000) 5.989 34.078 ( 5.665 -0.000 -0.000) 5.665 34.416 ( -8.746 0.000 0.000) 8.746 37.947 ( 12.255 -0.000 -0.000) 12.255 38.217 ( 4.377 -0.000 -0.000) 4.377 38.746 ( -4.228 0.000 0.000) 4.228 39.041 ( -11.667 0.000 0.000) 11.667 ======================= Grid point 121 (70/417) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( -0.000 10.289 -0.222) 10.292 2.688 ( -0.000 4.336 0.017) 4.336 2.804 ( -0.000 4.177 -0.005) 4.177 3.021 ( -0.000 2.446 0.277) 2.462 3.812 ( -0.000 4.988 -1.340) 5.165 3.822 ( -0.000 1.040 -0.615) 1.208 3.845 ( 0.000 -0.143 0.605) 0.622 4.010 ( 0.000 1.830 1.090) 2.131 4.525 ( 0.000 -1.344 0.023) 1.344 4.937 ( 0.000 -5.242 0.246) 5.248 5.463 ( -0.000 5.963 -0.812) 6.018 5.527 ( -0.000 4.088 0.778) 4.161 15.800 ( 0.000 -6.906 -1.031) 6.982 19.184 ( 0.000 -6.598 1.043) 6.680 22.211 ( -0.000 5.358 -0.175) 5.360 26.500 ( -0.000 3.098 -0.345) 3.118 26.619 ( -0.000 9.311 0.050) 9.311 27.952 ( 0.000 -1.476 0.288) 1.503 33.921 ( 0.000 -1.584 -0.067) 1.585 34.852 ( 0.000 -3.779 -0.032) 3.779 37.351 ( 0.000 -0.812 -0.043) 0.813 37.811 ( 0.000 -0.001 0.106) 0.106 39.092 ( -0.000 1.877 -0.246) 1.893 39.624 ( 0.000 -6.111 0.251) 6.116 ======================= Grid point 122 (71/417) ======================= q-point: ( 0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( -0.293 5.286 0.008) 5.295 2.785 ( 7.522 2.112 -0.032) 7.813 2.904 ( 7.039 3.484 -0.409) 7.864 3.015 ( -1.933 -0.334 0.519) 2.030 3.767 ( -3.242 0.915 -0.238) 3.377 3.837 ( -0.226 1.159 -0.434) 1.258 3.967 ( 8.962 1.913 -0.096) 9.164 4.056 ( 4.493 -0.233 0.532) 4.530 4.514 ( -0.412 -0.471 0.130) 0.639 4.880 ( -2.017 -2.945 0.072) 3.570 5.481 ( -2.868 2.945 -0.408) 4.131 5.536 ( -2.749 2.122 0.388) 3.494 15.694 ( -6.112 -3.537 -0.508) 7.079 19.149 ( 1.370 -3.201 0.506) 3.518 22.394 ( 16.746 2.724 -0.094) 16.966 26.408 ( -17.325 7.469 0.160) 18.867 26.511 ( -13.613 -2.403 -0.310) 13.827 28.101 ( 15.871 -0.129 0.149) 15.872 33.918 ( 1.013 -0.591 -0.024) 1.173 34.791 ( -3.844 -2.044 -0.031) 4.354 37.396 ( 6.009 -0.292 -0.024) 6.016 37.850 ( 4.517 0.145 0.058) 4.520 39.073 ( -3.791 0.953 -0.153) 3.912 39.537 ( -4.786 -3.332 0.160) 5.834 ======================= Grid point 123 (72/417) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 1.015 -0.000 -0.000) 1.015 2.939 ( -3.328 0.000 0.000) 3.328 2.968 ( 10.683 -0.000 -0.000) 10.683 3.103 ( 12.493 -0.000 -0.000) 12.493 3.728 ( -2.012 0.000 0.000) 2.012 3.834 ( -0.847 0.000 0.000) 0.847 4.159 ( 7.991 -0.000 -0.000) 7.991 4.160 ( 12.090 -0.000 -0.000) 12.090 4.503 ( -0.455 0.000 0.000) 0.455 4.815 ( -3.939 0.000 0.000) 3.939 5.424 ( -5.516 0.000 0.000) 5.516 5.477 ( -5.440 0.000 0.000) 5.440 15.540 ( -9.559 0.000 0.000) 9.559 19.168 ( 2.380 -0.000 -0.000) 2.380 22.805 ( 29.778 -0.000 -0.000) 29.778 26.035 ( -28.329 0.000 0.000) 28.329 26.257 ( -15.648 0.000 0.000) 15.648 28.385 ( 16.217 -0.000 -0.000) 16.217 33.944 ( 2.392 -0.000 -0.000) 2.392 34.690 ( -6.782 0.000 0.000) 6.782 37.537 ( 10.516 -0.000 -0.000) 10.516 37.958 ( 7.804 -0.000 -0.000) 7.804 38.986 ( -6.860 0.000 0.000) 6.860 39.405 ( -8.743 0.000 0.000) 8.743 ======================= Grid point 140 (73/417) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 586 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 0.000 0.000 0.000) 0.000 2.730 ( 0.000 0.000 0.000) 0.000 2.845 ( -0.000 0.000 0.000) 0.000 3.044 ( 0.000 0.000 0.000) 0.000 3.832 ( 0.000 0.000 0.000) 0.000 3.843 ( -0.000 0.000 -0.000) 0.000 3.862 ( 0.000 0.000 0.000) 0.000 4.017 ( -0.000 0.000 0.000) 0.000 4.516 ( 0.000 0.000 0.000) 0.000 4.883 ( 0.000 0.000 0.000) 0.000 5.520 ( 0.000 0.000 0.000) 0.000 5.570 ( -0.000 0.000 0.000) 0.000 15.730 ( 0.000 0.000 0.000) 0.000 19.122 ( 0.000 0.000 0.000) 0.000 22.263 ( 0.000 0.000 0.000) 0.000 26.528 ( -0.000 0.000 0.000) 0.000 26.710 ( 0.000 0.000 0.000) 0.000 27.937 ( 0.000 0.000 0.000) 0.000 33.907 ( 0.000 0.000 0.000) 0.000 34.815 ( 0.000 0.000 0.000) 0.000 37.343 ( 0.000 0.000 0.000) 0.000 37.811 ( 0.000 0.000 0.000) 0.000 39.111 ( 0.000 0.000 0.000) 0.000 39.562 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 280 (74/417) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.061 ( 0.000 -0.000 9.890) 9.890 0.061 ( 0.000 -0.000 9.890) 9.890 0.125 ( 0.000 -0.000 20.417) 20.417 1.322 ( -0.000 0.000 -0.665) 0.665 1.322 ( -0.000 0.000 -0.665) 0.665 2.858 ( -0.000 0.000 -1.728) 1.728 3.668 ( 0.000 -0.000 0.305) 0.305 3.668 ( 0.000 -0.000 0.305) 0.305 3.813 ( -0.000 0.000 -0.249) 0.249 3.813 ( -0.000 0.000 -0.249) 0.249 5.793 ( -0.000 0.000 -0.537) 0.537 6.086 ( 0.000 -0.000 1.250) 1.250 17.789 ( -0.000 0.000 -2.243) 2.243 20.605 ( 0.000 -0.000 0.185) 0.185 20.605 ( 0.000 -0.000 0.185) 0.185 21.387 ( 0.000 -0.000 2.939) 2.939 24.113 ( 0.000 -0.000 0.002) 0.002 24.113 ( 0.000 -0.000 0.002) 0.002 35.551 ( 0.000 -0.000 0.526) 0.526 37.086 ( -0.000 0.000 -0.525) 0.525 37.618 ( -0.000 0.000 -0.053) 0.053 37.618 ( -0.000 0.000 -0.053) 0.053 37.969 ( -0.000 0.000 -0.016) 0.016 37.969 ( -0.000 0.000 -0.016) 0.016 ======================= Grid point 281 (75/417) ======================= q-point: ( 0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( 14.382 8.303 8.315) 18.572 0.593 ( 25.301 14.608 1.747) 29.267 0.880 ( 38.343 22.137 0.663) 44.280 1.414 ( 8.022 4.632 -1.066) 9.325 1.585 ( 20.623 11.907 -0.145) 23.814 2.834 ( -1.617 -0.933 -2.117) 2.823 3.678 ( 0.654 0.377 0.683) 1.018 3.811 ( -0.048 -0.027 -0.558) 0.560 3.883 ( 5.690 3.285 0.887) 6.630 3.948 ( 7.768 4.485 -5.080) 10.308 5.594 ( -2.862 -1.652 2.170) 3.954 6.035 ( -4.504 -2.601 1.189) 5.335 17.513 ( -7.187 -4.149 0.599) 8.320 20.680 ( 6.531 3.771 0.246) 7.546 21.156 ( -15.803 -9.124 -2.987) 18.490 24.219 ( 9.320 5.381 0.006) 10.762 24.329 ( 17.528 10.120 1.389) 20.287 25.753 ( 65.051 37.557 -80.612) 110.183 35.527 ( -3.132 -1.808 0.729) 3.689 35.595 ( -25.278 -14.594 18.062) 34.325 37.605 ( -1.119 -0.646 -0.101) 1.296 37.860 ( 17.638 10.183 2.496) 20.519 37.958 ( -0.985 -0.569 0.053) 1.139 39.935 ( 17.746 10.246 -42.591) 47.264 ======================= Grid point 282 (76/417) ======================= q-point: ( 0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 17.491 10.098 4.217) 20.632 1.143 ( 23.284 13.443 1.247) 26.915 1.649 ( 12.427 7.175 -1.204) 14.400 1.711 ( 35.373 20.423 0.153) 40.846 2.127 ( 25.893 14.949 0.141) 29.899 2.791 ( -1.478 -0.854 -2.072) 2.685 3.700 ( 1.129 0.652 0.934) 1.604 3.809 ( -0.013 -0.008 -0.774) 0.774 4.054 ( 8.870 5.121 2.257) 10.488 4.149 ( 10.889 6.287 -4.246) 13.271 5.527 ( -3.540 -2.044 0.236) 4.094 5.902 ( -7.261 -4.192 1.388) 8.498 17.296 ( -11.904 -6.873 -1.076) 13.788 20.749 ( -18.903 -10.914 -0.063) 21.827 20.888 ( 11.652 6.727 0.235) 13.457 24.518 ( 16.968 9.796 0.029) 19.593 24.831 ( 25.284 14.598 1.541) 29.236 26.784 ( 39.872 23.020 -17.983) 49.428 35.063 ( -22.374 -12.918 4.021) 26.147 35.471 ( -3.720 -2.147 0.494) 4.323 37.570 ( -1.990 -1.149 -0.133) 2.301 37.927 ( -1.654 -0.955 0.115) 1.914 38.283 ( 17.641 10.185 3.723) 20.708 40.123 ( 6.709 3.874 -16.257) 18.009 ======================= Grid point 283 (77/417) ======================= q-point: ( 0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 17.983 10.383 2.544) 20.920 1.633 ( 20.108 11.609 1.051) 23.242 1.940 ( 13.308 7.683 -1.148) 15.409 2.450 ( 30.230 17.453 -0.198) 34.907 2.667 ( 16.788 9.693 -1.267) 19.427 2.796 ( 7.184 4.148 -0.126) 8.297 3.731 ( 1.440 0.831 0.973) 1.926 3.808 ( 0.044 0.026 -0.823) 0.824 4.269 ( 9.484 5.475 2.174) 11.164 4.409 ( 12.834 7.410 -3.799) 15.298 5.438 ( -4.191 -2.420 0.006) 4.840 5.725 ( -8.652 -4.995 1.581) 10.115 16.990 ( -14.757 -8.520 -2.075) 17.165 20.337 ( -17.855 -10.309 2.084) 20.722 21.185 ( 14.431 8.332 0.158) 16.664 24.958 ( 21.666 12.509 0.066) 25.018 25.400 ( 24.193 13.968 0.724) 27.945 27.470 ( 23.298 13.451 -4.418) 27.263 34.624 ( -17.004 -9.817 0.766) 19.650 35.369 ( -5.403 -3.119 0.332) 6.248 37.519 ( -2.453 -1.417 -0.149) 2.837 37.888 ( -1.789 -1.033 0.164) 2.072 38.627 ( 12.232 7.062 3.172) 14.476 40.181 ( 0.539 0.311 -7.496) 7.522 ======================= Grid point 284 (78/417) ======================= q-point: ( 0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 17.597 10.160 1.452) 20.371 2.043 ( 16.261 9.389 0.891) 18.798 2.225 ( 12.096 6.983 -0.974) 14.001 2.756 ( 1.844 1.065 -1.779) 2.774 3.051 ( 23.311 13.459 -0.809) 26.930 3.212 ( 19.176 11.071 1.462) 22.190 3.766 ( 1.485 0.857 0.629) 1.827 3.808 ( 0.178 0.103 -0.525) 0.564 4.470 ( 7.665 4.425 0.865) 8.893 4.700 ( 13.443 7.761 -2.639) 15.745 5.352 ( -3.174 -1.833 0.232) 3.673 5.528 ( -9.030 -5.213 1.604) 10.550 16.643 ( -15.510 -8.955 -2.504) 18.083 19.960 ( -16.218 -9.363 2.903) 18.950 21.515 ( 14.624 8.443 0.045) 16.886 25.463 ( 22.791 13.158 0.101) 26.317 25.885 ( 18.553 10.711 0.150) 21.423 27.830 ( 10.131 5.849 -0.806) 11.726 34.305 ( -11.559 -6.673 -0.045) 13.347 35.234 ( -6.530 -3.770 0.180) 7.543 37.463 ( -2.450 -1.415 -0.148) 2.833 37.851 ( -1.432 -0.827 0.194) 1.665 38.849 ( 7.456 4.305 1.822) 8.800 40.116 ( -5.161 -2.980 -3.171) 6.751 ======================= Grid point 285 (79/417) ======================= q-point: ( 0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 16.292 9.406 0.603) 18.821 2.363 ( 12.095 6.983 0.716) 13.984 2.470 ( 9.781 5.647 -0.747) 11.318 2.811 ( 3.312 1.912 -0.978) 3.948 3.485 ( 15.619 9.017 -1.780) 18.122 3.584 ( 13.614 7.860 2.204) 15.874 3.795 ( 0.915 0.528 -0.600) 1.215 3.817 ( 0.704 0.406 0.646) 1.038 4.590 ( 2.569 1.483 -0.300) 2.981 4.982 ( 11.226 6.481 -1.077) 13.008 5.284 ( -5.103 -2.946 -0.447) 5.909 5.378 ( -1.406 -0.812 1.912) 2.508 16.301 ( -14.244 -8.224 -2.356) 16.615 19.627 ( -13.877 -8.012 2.724) 16.254 21.824 ( 12.610 7.280 -0.064) 14.561 25.953 ( 20.421 11.790 0.113) 23.581 26.226 ( 12.034 6.948 -0.111) 13.896 27.959 ( 2.268 1.310 0.105) 2.621 34.099 ( -6.984 -4.032 -0.136) 8.065 35.084 ( -6.672 -3.852 0.027) 7.704 37.411 ( -2.043 -1.179 -0.129) 2.362 37.826 ( -0.842 -0.486 0.197) 0.991 38.982 ( 4.429 2.557 0.714) 5.164 39.955 ( -8.362 -4.828 -1.087) 9.716 ======================= Grid point 286 (80/417) ======================= q-point: ( 0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 13.501 7.795 -0.018) 15.589 2.588 ( 7.905 4.564 0.474) 9.140 2.655 ( 6.837 3.948 -0.469) 7.909 2.894 ( 3.953 2.282 -0.237) 4.570 3.748 ( 8.488 4.901 -2.698) 10.166 3.806 ( 0.413 0.239 -0.811) 0.941 3.832 ( 8.098 4.675 2.820) 9.767 3.839 ( 0.907 0.523 0.817) 1.328 4.592 ( -1.596 -0.922 -0.259) 1.861 5.047 ( -6.199 -3.579 0.719) 7.194 5.284 ( 7.550 4.359 -1.418) 8.832 5.446 ( 4.978 2.874 1.129) 5.858 16.010 ( -10.964 -6.330 -1.797) 12.787 19.357 ( -10.390 -5.998 1.989) 12.161 22.069 ( 9.082 5.243 -0.140) 10.488 26.357 ( 15.195 8.773 0.095) 17.546 26.432 ( 6.618 3.821 -0.242) 7.646 27.965 ( -1.091 -0.630 0.295) 1.294 33.983 ( -3.556 -2.053 -0.078) 4.107 34.945 ( -5.579 -3.221 -0.062) 6.442 37.372 ( -1.394 -0.805 -0.093) 1.612 37.814 ( -0.329 -0.190 0.166) 0.415 39.062 ( 2.795 1.614 0.046) 3.228 39.761 ( -8.361 -4.827 -0.129) 9.655 ======================= Grid point 287 (81/417) ======================= q-point: ( 0.50 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 8.224 4.748 -0.349) 9.503 2.720 ( 3.845 2.220 -0.020) 4.440 2.772 ( 3.539 2.043 0.034) 4.087 2.974 ( 2.775 1.602 0.267) 3.216 3.813 ( 0.290 0.167 -0.345) 0.481 3.856 ( 0.466 0.269 0.333) 0.633 3.869 ( 3.209 1.853 -2.428) 4.430 3.963 ( 3.235 1.867 2.308) 4.390 4.551 ( -1.471 -0.850 -0.008) 1.699 4.907 ( -5.017 -2.897 0.275) 5.800 5.435 ( 5.021 2.899 -0.418) 5.812 5.553 ( 3.795 2.191 0.365) 4.397 15.816 ( -5.902 -3.407 -1.031) 6.893 19.178 ( -5.706 -3.295 1.044) 6.671 22.224 ( 4.721 2.725 -0.176) 5.454 26.534 ( 2.799 1.616 -0.352) 3.251 26.620 ( 8.054 4.650 0.050) 9.300 27.934 ( -1.363 -0.787 0.297) 1.602 33.931 ( -1.343 -0.776 -0.067) 1.552 34.844 ( -3.217 -1.857 -0.032) 3.714 37.349 ( -0.679 -0.392 -0.043) 0.785 37.810 ( -0.074 -0.043 0.105) 0.135 39.112 ( 1.742 1.006 -0.266) 2.029 39.601 ( -5.443 -3.143 0.270) 6.291 ======================= Grid point 288 (82/417) ======================= q-point: (-0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( -0.019 -0.011 -0.521) 0.522 2.760 ( -0.122 -0.070 -0.671) 0.685 2.814 ( 0.120 0.069 0.684) 0.698 3.007 ( 0.041 0.023 0.547) 0.549 3.817 ( 0.115 0.067 0.130) 0.186 3.860 ( -0.117 -0.068 -0.155) 0.205 3.904 ( 0.580 0.335 -0.793) 1.037 3.993 ( -0.557 -0.322 0.586) 0.870 4.534 ( -0.106 -0.061 -0.299) 0.323 4.849 ( 0.040 0.023 0.465) 0.467 5.494 ( 0.147 0.085 0.238) 0.292 5.597 ( -0.135 -0.078 -0.236) 0.283 15.750 ( 0.233 0.135 -0.249) 0.367 19.112 ( -0.255 -0.147 0.125) 0.319 22.277 ( 0.018 0.011 -0.179) 0.181 26.564 ( 0.013 0.008 -0.460) 0.461 26.711 ( -0.015 -0.009 -0.005) 0.019 27.918 ( -0.037 -0.021 0.254) 0.258 33.916 ( -0.008 -0.005 -0.124) 0.124 34.807 ( 0.033 0.019 0.096) 0.104 37.342 ( 0.015 0.009 0.015) 0.023 37.809 ( -0.027 -0.015 0.026) 0.040 39.133 ( 0.042 0.024 -0.301) 0.305 39.537 ( -0.039 -0.023 0.337) 0.340 ======================= Grid point 289 (83/417) ======================= q-point: (-0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( -8.295 -4.789 -0.878) 9.618 2.713 ( -3.975 -2.295 -0.974) 4.692 2.779 ( -3.410 -1.969 0.991) 4.060 2.978 ( -2.656 -1.534 0.950) 3.211 3.819 ( -0.059 -0.034 0.566) 0.570 3.850 ( -0.702 -0.405 -0.608) 1.013 3.884 ( -2.858 -1.650 -0.533) 3.343 3.948 ( -3.573 -2.063 0.452) 4.150 4.547 ( 1.510 0.872 -0.630) 1.854 4.908 ( 4.839 2.794 0.497) 5.609 5.443 ( -4.638 -2.678 0.896) 5.430 5.546 ( -4.125 -2.382 -0.837) 4.836 15.825 ( 6.340 3.660 0.384) 7.330 19.168 ( 5.220 3.014 -0.599) 6.058 22.224 ( -4.690 -2.708 -0.168) 5.419 26.533 ( -2.765 -1.596 -0.537) 3.238 26.619 ( -8.080 -4.665 -0.053) 9.330 27.934 ( 1.297 0.749 0.209) 1.512 33.930 ( 1.352 0.781 -0.169) 1.571 34.845 ( 3.251 1.877 0.221) 3.761 37.350 ( 0.707 0.408 0.068) 0.819 37.809 ( 0.026 0.015 -0.058) 0.065 39.112 ( -1.757 -1.014 -0.288) 2.049 39.602 ( 5.472 3.159 0.341) 6.327 ======================= Grid point 290 (84/417) ======================= q-point: (-0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( -13.623 -7.865 -1.317) 15.786 2.578 ( -7.916 -4.570 -0.972) 9.192 2.665 ( -6.816 -3.935 1.007) 7.934 2.904 ( -3.797 -2.192 1.338) 4.585 3.756 ( -8.493 -4.903 -1.841) 9.978 3.817 ( -0.305 -0.176 0.894) 0.961 3.823 ( -8.213 -4.742 1.762) 9.646 3.828 ( -1.028 -0.594 -0.966) 1.531 4.591 ( 1.864 1.076 -0.389) 2.187 5.042 ( 5.760 3.325 -0.048) 6.651 5.305 ( -6.919 -3.995 1.798) 8.189 5.429 ( -5.392 -3.113 -1.520) 6.409 16.027 ( 11.314 6.532 0.740) 13.085 19.338 ( 9.981 5.763 -1.007) 11.569 22.069 ( -9.068 -5.236 -0.157) 10.472 26.355 ( -15.209 -8.781 -0.078) 17.562 26.430 ( -6.579 -3.799 -0.564) 7.618 27.965 ( 1.063 0.614 0.185) 1.241 33.983 ( 3.607 2.083 -0.144) 4.168 34.947 ( 5.552 3.205 0.265) 6.416 37.374 ( 1.414 0.816 0.108) 1.636 37.812 ( 0.295 0.170 -0.128) 0.364 39.058 ( -2.960 -1.709 -0.442) 3.446 39.765 ( 8.580 4.954 0.521) 9.921 ======================= Grid point 291 (85/417) ======================= q-point: (-0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -16.453 -9.499 -1.595) 19.065 2.352 ( -12.096 -6.984 -0.883) 13.995 2.481 ( -9.758 -5.634 0.954) 11.307 2.827 ( -3.146 -1.817 1.461) 3.916 3.487 ( -15.432 -8.910 -1.464) 17.880 3.578 ( -13.907 -8.029 1.302) 16.111 3.792 ( -1.518 -0.877 -0.870) 1.957 3.818 ( -0.122 -0.071 0.754) 0.767 4.588 ( -2.855 -1.648 -0.495) 3.333 4.995 ( -10.187 -5.881 1.035) 11.808 5.303 ( 5.202 3.004 2.526) 6.517 5.346 ( 0.589 0.340 -3.148) 3.221 16.320 ( 14.449 8.342 0.741) 16.700 19.603 ( 13.626 7.867 -1.020) 15.767 21.823 ( -12.616 -7.284 -0.150) 14.568 25.952 ( -20.421 -11.790 -0.073) 23.580 26.223 ( -12.033 -6.947 -0.582) 13.907 27.960 ( -2.156 -1.245 0.224) 2.500 34.100 ( 7.032 4.060 -0.080) 8.120 35.086 ( 6.602 3.812 0.251) 7.627 37.413 ( 2.053 1.186 0.128) 2.375 37.824 ( 0.826 0.477 -0.175) 0.970 38.973 ( -4.745 -2.740 -0.677) 5.521 39.967 ( 8.878 5.126 0.835) 10.286 ======================= Grid point 292 (86/417) ======================= q-point: (-0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -17.800 -10.277 -1.591) 20.615 2.032 ( -16.279 -9.399 -0.777) 18.813 2.237 ( -12.064 -6.965 0.875) 13.958 2.776 ( -1.641 -0.947 1.330) 2.315 3.052 ( -23.191 -13.389 -0.689) 26.788 3.206 ( -19.438 -11.223 0.468) 22.450 3.755 ( -1.590 -0.918 -1.017) 2.099 3.818 ( -0.091 -0.053 0.864) 0.871 4.455 ( -8.293 -4.788 -1.377) 9.675 4.729 ( -12.832 -7.408 1.926) 14.941 5.355 ( 3.085 1.781 0.109) 3.564 5.510 ( 9.179 5.300 -0.659) 10.620 16.661 ( 15.521 8.961 0.383) 17.927 19.937 ( 16.226 9.368 -0.655) 18.748 21.514 ( -14.643 -8.454 -0.137) 16.909 25.462 ( -22.779 -13.152 -0.048) 26.303 25.879 ( -18.690 -10.791 -0.724) 21.594 27.838 ( -9.534 -5.504 0.393) 11.016 34.306 ( 11.490 6.634 -0.031) 13.267 35.234 ( 6.448 3.723 0.241) 7.450 37.464 ( 2.451 1.415 0.125) 2.833 37.849 ( 1.436 0.829 -0.192) 1.670 38.833 ( -7.893 -4.557 -0.773) 9.147 40.144 ( 6.219 3.590 1.097) 7.264 ======================= Grid point 293 (87/417) ======================= q-point: (-0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -18.274 -10.551 -1.183) 21.134 1.622 ( -20.136 -11.626 -0.624) 23.260 1.952 ( -13.303 -7.680 0.701) 15.377 2.450 ( -30.166 -17.416 -0.161) 34.833 2.682 ( -19.692 -11.369 1.172) 22.768 2.795 ( -4.351 -2.512 -0.412) 5.041 3.719 ( -1.398 -0.807 -0.869) 1.833 3.818 ( -0.088 -0.051 0.717) 0.724 4.243 ( -9.798 -5.657 -2.009) 11.490 4.448 ( -12.417 -7.169 2.382) 14.534 5.441 ( 4.154 2.398 -0.004) 4.796 5.712 ( 8.722 5.035 -0.150) 10.072 17.002 ( 14.576 8.415 -0.209) 16.832 20.322 ( 18.209 10.513 -0.152) 21.027 21.183 ( -14.449 -8.342 -0.099) 16.685 24.957 ( -21.651 -12.500 -0.017) 25.001 25.388 ( -24.580 -14.191 -1.215) 28.409 27.502 ( -21.146 -12.209 0.508) 24.423 34.619 ( 16.546 9.553 0.066) 19.106 35.368 ( 5.325 3.074 0.281) 6.155 37.520 ( 2.446 1.412 0.101) 2.826 37.886 ( 1.809 1.045 -0.180) 2.097 38.605 ( -12.572 -7.258 -0.335) 14.521 40.233 ( 1.405 0.811 0.610) 1.733 ======================= Grid point 294 (88/417) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -18.010 -10.398 -0.005) 20.796 1.132 ( -23.342 -13.477 -0.370) 26.956 1.659 ( -12.477 -7.203 0.376) 14.412 1.711 ( -35.398 -20.437 0.232) 40.875 2.125 ( -26.033 -15.030 -0.110) 30.061 2.802 ( 1.601 0.924 -0.292) 1.872 3.690 ( -1.007 -0.582 -0.546) 1.285 3.817 ( -0.091 -0.052 0.440) 0.452 4.027 ( -8.650 -4.994 -2.100) 10.207 4.190 ( -10.795 -6.233 2.353) 12.685 5.527 ( 3.326 1.920 -0.043) 3.841 5.894 ( 7.330 4.232 0.297) 8.469 17.299 ( 11.648 6.725 -0.686) 13.467 20.748 ( 19.536 11.279 -0.172) 22.559 20.886 ( -11.658 -6.731 -0.023) 13.461 24.518 ( -16.958 -9.791 0.003) 19.582 24.807 ( -25.770 -14.878 -2.288) 29.845 26.885 ( -33.186 -19.160 -2.507) 38.402 35.043 ( 20.851 12.038 1.011) 24.098 35.470 ( 3.626 2.094 0.411) 4.207 37.571 ( 1.975 1.140 0.059) 2.282 37.926 ( 1.687 0.974 -0.142) 1.953 38.265 ( -17.564 -10.140 0.867) 20.299 40.208 ( -3.199 -1.847 -3.076) 4.807 ======================= Grid point 297 (89/417) ======================= q-point: ( 0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.366 ( 0.000 15.126 9.479) 17.851 0.587 ( -0.000 29.014 1.227) 29.040 0.887 ( -0.000 44.109 1.308) 44.129 1.418 ( -0.000 9.528 -0.714) 9.555 1.579 ( -0.000 23.815 -0.739) 23.827 2.829 ( -0.000 -1.769 -2.587) 3.134 3.673 ( -0.000 0.458 0.181) 0.492 3.815 ( -0.000 0.186 -0.151) 0.239 3.852 ( -0.000 5.941 -2.339) 6.385 3.979 ( -0.000 10.579 -1.704) 10.716 5.599 ( 0.000 -3.864 2.702) 4.715 6.037 ( 0.000 -5.247 1.284) 5.401 17.508 ( 0.000 -8.854 0.079) 8.854 20.680 ( -0.000 7.508 0.240) 7.512 21.148 ( 0.000 -17.945 -4.009) 18.387 24.219 ( -0.000 10.763 0.012) 10.763 24.264 ( -0.000 21.837 -7.505) 23.091 25.630 ( -0.000 89.801 -82.909) 122.222 35.526 ( 0.000 -4.388 1.169) 4.541 35.640 ( 0.000 -31.814 20.270) 37.723 37.606 ( 0.000 -1.258 -0.049) 1.259 37.874 ( -0.000 20.497 3.878) 20.860 37.956 ( 0.000 -1.203 -0.082) 1.205 39.844 ( -0.000 27.380 -48.150) 55.391 ======================= Grid point 298 (90/417) ======================= q-point: ( 0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 9.910 15.958 5.498) 19.573 1.009 ( 14.685 24.361 1.086) 28.466 1.484 ( 19.228 33.807 0.275) 38.894 1.597 ( 8.045 14.874 -0.754) 16.927 1.963 ( 14.761 25.113 -0.046) 29.130 2.796 ( -1.007 -1.579 -2.600) 3.204 3.692 ( 1.170 0.844 0.528) 1.536 3.809 ( -0.195 0.598 -0.541) 0.830 3.992 ( 7.125 7.129 -0.723) 10.105 4.100 ( 2.800 11.282 -1.369) 11.705 5.549 ( -1.997 -3.429 0.886) 4.066 5.946 ( -3.826 -6.739 1.313) 7.860 17.355 ( -6.119 -11.401 -1.259) 13.000 20.840 ( 6.362 11.100 0.103) 12.795 20.858 ( -9.785 -17.429 -1.117) 20.019 24.295 ( 6.337 9.718 -1.015) 11.646 24.760 ( 17.812 26.846 0.318) 32.219 26.494 ( 27.102 50.271 -29.046) 64.073 35.215 ( -14.195 -24.507 6.983) 29.169 35.495 ( -2.236 -3.316 0.976) 4.117 37.587 ( -0.847 -1.336 -0.104) 1.585 37.931 ( -0.684 -1.438 0.107) 1.596 38.186 ( 10.237 18.160 4.615) 21.351 40.032 ( 6.069 11.101 -23.884) 27.028 ======================= Grid point 299 (91/417) ======================= q-point: ( 0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 13.798 14.598 3.172) 20.336 1.491 ( 15.817 20.488 1.008) 25.903 1.855 ( 9.617 13.964 -1.138) 16.994 2.191 ( 24.325 26.949 -0.139) 36.304 2.486 ( 18.933 20.839 0.320) 28.157 2.769 ( 0.065 -0.230 -1.958) 1.972 3.726 ( 1.214 1.628 0.825) 2.192 3.814 ( -0.079 1.012 -0.784) 1.283 4.197 ( 7.887 7.800 1.736) 11.227 4.294 ( 8.380 10.170 -3.433) 13.618 5.471 ( -3.138 -3.690 0.399) 4.860 5.795 ( -6.193 -7.264 1.417) 9.650 17.089 ( -10.349 -13.358 -2.205) 17.041 20.483 ( -13.560 -15.736 1.621) 20.836 21.128 ( 9.422 17.243 0.169) 19.651 24.595 ( 20.240 4.385 -0.150) 20.710 25.319 ( 16.156 27.759 0.553) 32.123 27.273 ( 22.410 29.326 -8.187) 37.806 34.771 ( -14.721 -16.878 1.788) 22.467 35.409 ( -3.774 -4.450 0.580) 5.864 37.552 ( -2.043 -0.650 -0.147) 2.149 37.903 ( -1.083 -1.300 0.144) 1.698 38.522 ( 10.618 11.277 4.134) 16.032 40.144 ( 2.821 3.306 -11.414) 12.213 ======================= Grid point 300 (92/417) ======================= q-point: ( 0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 15.229 13.124 1.723) 20.177 1.927 ( 13.620 17.445 0.874) 22.150 2.147 ( 9.187 13.421 -1.067) 16.299 2.746 ( 1.065 2.489 -2.206) 3.492 2.813 ( 22.194 18.986 -0.587) 29.213 3.015 ( 18.549 14.523 1.634) 23.615 3.766 ( 0.979 2.495 0.713) 2.773 3.822 ( -0.341 1.913 -0.681) 2.059 4.400 ( 7.100 6.752 1.466) 9.907 4.554 ( 11.973 8.962 -3.296) 15.315 5.381 ( -3.198 -3.469 0.543) 4.749 5.610 ( -7.505 -7.360 1.414) 10.606 16.756 ( -12.246 -14.205 -2.747) 18.955 20.115 ( -14.011 -13.087 3.028) 19.410 21.470 ( 8.996 20.350 0.036) 22.250 25.025 ( 27.742 -0.547 0.081) 27.747 25.816 ( 13.320 22.443 0.039) 26.098 27.766 ( 11.090 17.152 -1.770) 20.502 34.417 ( -11.432 -10.961 0.159) 15.839 35.286 ( -5.088 -5.555 0.374) 7.542 37.508 ( -2.917 0.435 -0.159) 2.954 37.874 ( -1.406 -0.260 0.185) 1.442 38.765 ( 7.976 5.428 2.541) 9.977 40.136 ( -2.043 -2.784 -4.955) 6.039 ======================= Grid point 301 (93/417) ======================= q-point: ( 0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 15.325 11.493 0.669) 19.168 2.285 ( 10.151 14.692 0.678) 17.871 2.408 ( 7.585 11.510 -0.939) 13.816 2.792 ( 1.864 3.620 -0.909) 4.172 3.296 ( 17.360 11.562 -1.828) 20.938 3.425 ( 15.137 9.545 2.383) 18.053 3.808 ( 0.361 3.609 -0.056) 3.628 3.841 ( -0.360 3.570 0.060) 3.589 4.554 ( 4.301 3.780 0.006) 5.726 4.840 ( 12.610 7.463 -1.904) 14.776 5.311 ( -1.968 -2.780 0.640) 3.466 5.420 ( -6.398 -6.095 1.344) 8.938 16.406 ( -12.007 -13.969 -2.710) 18.619 19.776 ( -13.342 -10.457 3.124) 17.237 21.808 ( 6.746 21.167 -0.095) 22.216 25.487 ( 30.104 -5.781 0.145) 30.654 26.189 ( 9.437 14.913 -0.282) 17.650 28.002 ( 1.627 11.553 -0.034) 11.667 34.174 ( -7.648 -6.491 -0.174) 10.033 35.138 ( -5.614 -6.239 0.176) 8.395 37.465 ( -3.410 1.768 -0.146) 3.844 37.854 ( -1.527 1.136 0.202) 1.914 38.915 ( 5.682 1.651 1.094) 6.017 40.012 ( -5.815 -6.894 -1.793) 9.196 ======================= Grid point 302 (94/417) ======================= q-point: ( 0.44 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 14.045 9.251 -0.062) 16.818 2.553 ( 6.180 11.992 0.432) 13.498 2.617 ( 5.732 8.942 -0.827) 10.653 2.872 ( 2.362 5.101 0.168) 5.624 3.607 ( 11.109 4.176 -2.461) 12.120 3.701 ( 9.285 2.615 2.145) 9.881 3.857 ( 0.404 6.727 0.057) 6.740 3.885 ( -0.122 6.422 0.450) 6.439 4.603 ( -0.401 0.059 -0.492) 0.637 5.067 ( 4.032 1.125 0.403) 4.205 5.214 ( -0.100 -2.334 -1.127) 2.593 5.386 ( 3.953 0.392 1.333) 4.190 16.086 ( -9.714 -12.630 -2.213) 16.086 19.484 ( -11.472 -7.450 2.468) 13.899 22.094 ( 3.192 20.254 -0.191) 20.505 25.902 ( 28.332 -10.786 0.145) 30.316 26.423 ( 6.040 6.792 -0.439) 9.100 28.080 ( -4.264 10.607 0.370) 11.438 34.027 ( -4.439 -3.140 -0.150) 5.439 34.985 ( -4.975 -6.326 0.024) 8.048 37.429 ( -3.568 3.131 -0.110) 4.748 37.845 ( -1.621 2.503 0.187) 2.988 39.004 ( 4.376 -0.569 0.189) 4.417 39.822 ( -6.894 -8.582 -0.358) 11.014 ======================= Grid point 303 (95/417) ======================= q-point: ( 0.50 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 10.738 5.748 -0.377) 12.186 2.727 ( 2.235 9.336 0.100) 9.600 2.774 ( 3.655 7.546 -0.704) 8.414 2.955 ( 1.342 4.301 0.935) 4.602 3.753 ( 5.547 -0.536 -1.375) 5.740 3.795 ( 2.513 -0.731 -0.322) 2.637 3.942 ( -0.818 8.384 -0.390) 8.433 3.970 ( 1.603 6.992 1.929) 7.428 4.568 ( -1.917 -1.335 -0.189) 2.344 4.960 ( -5.890 -5.282 0.513) 7.929 5.346 ( 8.068 1.995 -0.705) 8.341 5.486 ( 5.745 0.646 0.589) 5.812 15.840 ( -5.468 -10.199 -1.474) 11.666 19.265 ( -8.210 -4.048 1.519) 9.279 22.299 ( -1.158 18.282 -0.239) 18.320 26.220 ( 23.466 -13.725 0.096) 27.185 26.529 ( 4.131 -2.033 -0.521) 4.633 28.090 ( -7.207 12.167 0.411) 14.147 33.954 ( -2.227 -0.796 -0.106) 2.368 34.858 ( -2.988 -5.688 -0.019) 6.426 37.406 ( -3.481 4.279 -0.059) 5.517 37.846 ( -1.860 3.525 0.140) 3.988 39.059 ( 3.755 -1.826 -0.277) 4.184 39.635 ( -5.086 -8.108 0.264) 9.575 ======================= Grid point 304 (96/417) ======================= q-point: ( 0.56 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( 4.693 0.824 -0.346) 4.778 2.811 ( -1.652 7.018 -0.337) 7.217 2.882 ( -0.274 8.277 -0.330) 8.288 2.991 ( 0.080 0.125 1.043) 1.054 3.808 ( 1.328 -1.735 -1.495) 2.647 3.810 ( 1.994 -0.319 0.650) 2.121 3.987 ( -2.942 7.871 -0.789) 8.440 4.034 ( -1.407 4.514 1.343) 4.915 4.533 ( -0.630 -0.990 -0.208) 1.191 4.850 ( -1.800 -3.111 0.493) 3.628 5.454 ( 4.018 -0.905 0.047) 4.119 5.563 ( 3.231 -1.390 -0.067) 3.518 15.709 ( 0.259 -6.921 -0.701) 6.961 19.143 ( -3.682 -0.563 0.581) 3.770 22.406 ( -5.878 15.767 -0.244) 16.828 26.426 ( 16.734 -13.277 0.010) 21.361 26.525 ( 3.340 -11.241 -0.559) 11.740 28.086 ( -8.238 13.843 0.350) 16.113 33.927 ( -0.990 0.540 -0.138) 1.136 34.784 ( 0.169 -4.244 0.061) 4.248 37.395 ( -3.205 5.030 0.000) 5.965 37.849 ( -2.215 3.989 0.069) 4.563 39.093 ( 2.882 -2.790 -0.433) 4.034 39.515 ( -0.678 -5.819 0.471) 5.877 ======================= Grid point 305 (97/417) ======================= q-point: (-0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( -3.185 -3.678 -0.543) 4.896 2.808 ( -5.531 4.935 -0.624) 7.439 2.893 ( -7.088 6.035 0.727) 9.338 2.984 ( 0.353 -1.743 0.415) 1.826 3.796 ( 0.208 -2.322 -0.869) 2.488 3.831 ( 0.650 -1.103 0.883) 1.555 3.990 ( -5.127 6.114 -0.775) 8.017 4.024 ( -4.083 3.580 0.620) 5.466 4.529 ( 0.956 -0.117 -0.604) 1.137 4.852 ( 3.602 0.011 0.702) 3.670 5.460 ( -0.755 -3.653 0.646) 3.786 5.557 ( -0.837 -3.741 -0.624) 3.883 15.716 ( 6.524 -3.333 -0.069) 7.327 19.136 ( 1.605 2.525 -0.148) 2.996 22.406 ( -10.664 13.023 -0.223) 16.833 26.421 ( 3.152 -21.134 -0.460) 21.373 26.529 ( 8.048 -8.468 -0.187) 11.683 28.085 ( -7.979 13.965 0.277) 16.086 33.927 ( 0.011 1.114 -0.199) 1.131 34.785 ( 3.677 -2.218 0.188) 4.298 37.395 ( -2.710 5.324 0.057) 5.974 37.848 ( -2.422 3.863 -0.010) 4.559 39.094 ( 1.053 -3.833 -0.397) 3.995 39.514 ( 5.310 -2.376 0.452) 5.835 ======================= Grid point 306 (98/417) ======================= q-point: (-0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( -10.553 -6.359 -1.061) 12.366 2.718 ( -9.506 2.906 -0.752) 9.968 2.792 ( -8.703 1.250 0.964) 8.845 2.953 ( -3.363 -0.042 0.799) 3.457 3.758 ( -1.366 -4.433 -0.783) 4.705 3.805 ( -1.516 -3.538 0.521) 3.884 3.928 ( -6.940 3.934 -1.061) 8.047 3.971 ( -7.068 3.601 1.345) 8.045 4.563 ( 2.462 1.142 -0.666) 2.794 4.959 ( 7.009 2.166 0.412) 7.347 5.366 ( -5.048 -5.583 1.320) 7.642 5.468 ( -3.977 -4.947 -1.201) 6.460 15.859 ( 12.167 -0.095 0.297) 12.171 19.244 ( 6.925 4.790 -0.547) 8.438 22.300 ( -15.236 10.209 -0.196) 18.341 26.215 ( 0.231 -27.226 -0.381) 27.230 26.531 ( -0.392 -4.448 -0.310) 4.476 28.088 ( -6.985 12.217 0.232) 14.075 33.953 ( 1.851 1.553 -0.204) 2.425 34.861 ( 6.427 -0.258 0.261) 6.438 37.407 ( -1.936 5.191 0.100) 5.542 37.844 ( -2.178 3.326 -0.081) 3.976 39.058 ( -0.433 -4.193 -0.416) 4.236 39.637 ( 9.742 0.389 0.476) 9.761 ======================= Grid point 307 (99/417) ======================= q-point: (-0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( -15.370 -7.375 -1.420) 17.107 2.541 ( -13.652 0.813 -0.750) 13.697 2.635 ( -10.810 -0.248 0.871) 10.848 2.882 ( -4.714 -0.143 1.189) 4.864 3.619 ( -9.237 -6.925 -1.786) 11.682 3.687 ( -7.435 -7.407 1.376) 10.585 3.857 ( -5.210 2.642 -0.077) 5.842 3.884 ( -6.071 3.808 0.390) 7.177 4.603 ( 0.270 0.379 -0.468) 0.660 5.064 ( -1.000 -1.793 0.207) 2.063 5.246 ( 0.816 -1.873 1.692) 2.653 5.354 ( -3.090 -3.538 -1.541) 4.944 16.112 ( 16.247 2.254 0.324) 16.406 19.453 ( 11.641 6.030 -0.554) 13.121 22.095 ( -19.161 7.431 -0.170) 20.552 25.898 ( -4.736 -29.978 -0.276) 30.351 26.423 ( -9.020 -1.635 -0.395) 9.176 28.078 ( -6.984 8.916 0.222) 11.328 34.027 ( 5.025 2.326 -0.153) 5.539 34.988 ( 7.897 1.079 0.268) 7.975 37.431 ( -0.916 4.688 0.120) 4.778 37.842 ( -1.387 2.624 -0.130) 2.971 38.997 ( -2.063 -4.152 -0.512) 4.665 39.831 ( 11.404 1.807 0.578) 11.560 ======================= Grid point 308 (100/417) ======================= q-point: (-0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -18.066 -7.242 -1.391) 19.513 2.271 ( -17.914 -1.297 -0.648) 17.972 2.425 ( -13.799 -0.782 0.714) 13.840 2.812 ( -3.384 -0.236 1.116) 3.572 3.303 ( -18.876 -8.753 -1.372) 20.851 3.412 ( -15.813 -8.881 1.268) 18.180 3.799 ( -3.830 1.395 -0.778) 4.150 3.849 ( -2.497 2.279 0.726) 3.458 4.544 ( -6.202 -2.252 -0.916) 6.661 4.872 ( -11.763 -6.756 1.211) 13.619 5.320 ( 1.784 -0.283 -0.132) 1.811 5.388 ( 9.890 3.070 -0.224) 10.358 16.435 ( 18.317 3.458 0.021) 18.640 19.741 ( 15.464 6.295 -0.195) 16.697 21.807 ( -21.762 4.807 -0.139) 22.287 25.484 ( -9.974 -28.986 -0.196) 30.654 26.188 ( -17.837 -0.501 -0.445) 17.849 28.004 ( -10.385 4.395 0.219) 11.279 34.174 ( 9.462 3.406 -0.092) 10.056 35.138 ( 8.111 1.630 0.263) 8.277 37.467 ( 0.172 3.852 0.113) 3.858 37.850 ( -0.225 1.887 -0.149) 1.907 38.899 ( -4.897 -4.172 -0.489) 6.452 40.036 ( 10.019 1.827 0.545) 10.198 ======================= Grid point 309 (101/417) ======================= q-point: (-0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -19.575 -6.186 -0.889) 20.549 1.913 ( -22.036 -2.829 -0.434) 22.221 2.162 ( -16.152 -1.443 0.475) 16.224 2.773 ( -1.986 0.113 0.790) 2.140 2.816 ( -27.475 -9.594 -0.638) 29.109 3.002 ( -22.271 -9.145 0.402) 24.079 3.752 ( -2.815 0.687 -0.682) 2.976 3.835 ( -1.397 1.079 0.589) 1.861 4.371 ( -10.220 -2.714 -1.385) 10.664 4.600 ( -12.889 -6.129 1.373) 14.338 5.383 ( 4.573 1.116 -0.279) 4.715 5.590 ( 10.217 2.876 0.334) 10.620 16.780 ( 18.341 3.496 -0.489) 18.678 20.087 ( 18.532 5.727 0.322) 19.399 21.469 ( -22.194 2.446 -0.086) 22.328 25.022 ( -13.358 -24.253 -0.178) 27.689 25.810 ( -26.533 -0.025 -0.524) 26.538 27.785 ( -18.780 -0.753 -0.021) 18.796 34.416 ( 14.916 4.332 0.023) 15.533 35.285 ( 7.267 1.474 0.293) 7.421 37.510 ( 1.073 2.727 0.077) 2.931 37.871 ( 0.940 1.129 -0.130) 1.475 38.739 ( -9.471 -4.187 -0.034) 10.355 40.185 ( 5.654 0.723 -0.203) 5.703 ======================= Grid point 310 (102/417) ======================= q-point: (-0.06 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -20.378 -3.996 0.299) 20.768 1.480 ( -25.812 -2.995 -0.074) 25.985 1.867 ( -16.804 -1.822 0.071) 16.902 2.192 ( -35.622 -7.587 -0.042) 36.421 2.486 ( -27.903 -6.468 0.350) 28.645 2.783 ( 0.883 -0.035 -0.552) 1.042 3.715 ( -2.064 0.391 -0.284) 2.120 3.824 ( -0.829 0.090 0.220) 0.863 4.168 ( -10.959 -0.891 -1.283) 11.070 4.336 ( -12.453 -4.554 1.038) 13.300 5.473 ( 4.598 0.855 -0.265) 4.684 5.781 ( 9.475 1.834 0.711) 9.677 17.102 ( 16.419 2.434 -0.902) 16.622 20.471 ( 21.137 4.142 0.459) 21.544 21.126 ( -19.707 0.524 0.005) 19.714 24.594 ( -13.895 -15.035 -0.279) 20.475 25.308 ( -32.790 0.733 -0.558) 32.803 27.336 ( -31.670 -4.393 -2.283) 32.054 34.759 ( 20.853 4.014 0.650) 21.245 35.407 ( 5.671 0.813 0.367) 5.741 37.554 ( 1.577 1.379 0.016) 2.095 37.901 ( 1.680 0.398 -0.067) 1.728 38.493 ( -15.601 -3.469 1.120) 16.022 40.227 ( -0.447 -0.513 -3.323) 3.391 ======================= Grid point 314 (103/417) ======================= q-point: ( 0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -0.000 18.891 4.549) 19.431 1.134 ( -0.000 26.694 0.685) 26.703 1.657 ( -0.000 14.628 -0.633) 14.642 1.716 ( -0.000 40.461 0.397) 40.463 2.125 ( -0.000 30.575 0.122) 30.575 2.784 ( -0.000 -1.442 -2.691) 3.053 3.687 ( -0.000 0.959 0.055) 0.961 3.819 ( -0.000 0.274 -0.044) 0.277 4.004 ( -0.000 10.127 -1.714) 10.271 4.205 ( -0.000 12.750 0.002) 12.750 5.529 ( 0.000 -4.340 0.915) 4.435 5.906 ( 0.000 -8.416 1.224) 8.505 17.281 ( 0.000 -13.835 -2.006) 13.979 20.744 ( 0.000 -21.117 -0.457) 21.122 20.887 ( -0.000 13.394 0.202) 13.396 24.518 ( -0.000 19.587 0.034) 19.587 24.779 ( -0.000 30.947 -2.085) 31.017 26.735 ( -0.000 50.781 -20.094) 54.612 35.083 ( 0.000 -27.209 5.139) 27.690 35.480 ( 0.000 -4.418 1.113) 4.556 37.571 ( 0.000 -2.261 -0.052) 2.261 37.924 ( 0.000 -1.962 -0.085) 1.964 38.303 ( -0.000 19.602 5.257) 20.294 40.056 ( -0.000 11.809 -20.340) 23.520 ======================= Grid point 315 (104/417) ======================= q-point: ( 0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 6.775 18.280 2.975) 19.721 1.484 ( 10.541 23.578 0.667) 25.836 1.863 ( 6.510 15.735 -0.771) 17.046 2.190 ( 11.090 34.154 -0.263) 35.910 2.493 ( 8.413 28.036 0.837) 29.283 2.765 ( -0.352 -0.297 -2.306) 2.352 3.714 ( 1.756 1.317 0.238) 2.208 3.823 ( 0.120 0.928 -0.275) 0.975 4.156 ( 5.744 9.889 -0.781) 11.463 4.337 ( 1.116 13.241 -0.832) 13.314 5.472 ( -1.637 -4.704 0.729) 5.034 5.796 ( -3.075 -9.018 1.233) 9.607 17.080 ( -6.027 -15.686 -2.573) 17.000 20.485 ( -6.591 -19.448 1.646) 20.600 21.127 ( 10.311 16.713 0.134) 19.638 24.589 ( -6.017 19.772 -0.405) 20.672 25.303 ( 17.754 27.872 -0.158) 33.047 27.266 ( 13.580 35.148 -8.360) 38.596 34.776 ( -7.489 -21.520 1.985) 22.872 35.414 ( -2.306 -5.393 0.808) 5.921 37.553 ( 0.350 -2.028 -0.098) 2.061 37.900 ( -0.377 -1.688 0.044) 1.730 38.528 ( 4.543 14.223 4.434) 15.576 40.128 ( 1.198 5.593 -12.120) 13.402 ======================= Grid point 316 (105/417) ======================= q-point: ( 0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 10.463 16.450 1.684) 19.568 1.901 ( 12.440 20.568 0.708) 24.048 2.144 ( 8.300 15.468 -1.020) 17.584 2.700 ( 14.020 23.773 -1.838) 27.660 2.769 ( 0.991 3.650 -0.877) 3.882 2.917 ( 12.376 21.036 1.745) 24.468 3.767 ( 2.208 2.370 0.491) 3.276 3.842 ( 0.435 2.096 -0.571) 2.215 4.357 ( 7.033 8.130 0.803) 10.780 4.505 ( 4.641 12.462 -2.597) 13.549 5.392 ( -2.498 -4.603 0.783) 5.295 5.640 ( -5.188 -9.036 1.243) 10.494 16.781 ( -9.618 -16.812 -2.930) 19.589 20.176 ( -9.435 -16.558 3.066) 19.302 21.515 ( 12.507 21.539 -0.006) 24.907 24.751 ( 6.852 11.450 -0.080) 13.344 25.811 ( 13.274 22.198 -0.146) 25.864 27.758 ( 12.246 21.616 -2.285) 24.949 34.463 ( -8.473 -14.657 0.316) 16.933 35.304 ( -4.009 -6.569 0.541) 7.714 37.541 ( -0.356 -0.432 -0.159) 0.582 37.884 ( -0.184 -0.595 0.172) 0.646 38.723 ( 4.802 7.676 2.824) 9.484 40.130 ( -1.458 -1.649 -5.849) 6.249 ======================= Grid point 317 (106/417) ======================= q-point: ( 0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 12.190 14.305 0.673) 18.807 2.284 ( 10.216 18.338 0.660) 21.002 2.412 ( 6.699 13.230 -1.287) 14.885 2.811 ( 1.579 5.556 -0.599) 5.807 3.150 ( 14.248 15.558 -1.877) 21.180 3.301 ( 12.280 13.421 2.529) 18.366 3.834 ( 1.752 4.383 0.364) 4.734 3.879 ( 0.657 4.202 -0.461) 4.277 4.527 ( 4.549 5.602 0.622) 7.244 4.726 ( 9.065 9.880 -2.608) 13.660 5.313 ( -1.963 -3.878 0.985) 4.456 5.459 ( -6.122 -8.372 1.134) 10.433 16.436 ( -10.626 -17.061 -2.892) 20.307 19.870 ( -10.364 -13.269 3.318) 17.161 21.933 ( 8.928 26.147 -0.152) 27.630 25.020 ( 17.602 0.507 0.115) 17.609 26.171 ( 8.808 13.686 -0.420) 16.281 28.078 ( 5.510 14.639 -0.167) 15.642 34.221 ( -6.672 -8.949 -0.173) 11.164 35.159 ( -5.004 -7.595 0.301) 9.100 37.532 ( -1.550 2.032 -0.177) 2.562 37.884 ( -0.279 1.272 0.228) 1.323 38.849 ( 4.112 2.434 1.320) 4.957 40.023 ( -4.711 -7.407 -2.305) 9.076 ======================= Grid point 318 (107/417) ======================= q-point: ( 0.44 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 12.331 11.783 -0.039) 17.056 2.589 ( 6.112 14.032 0.235) 15.307 2.616 ( 5.205 10.780 -1.078) 12.019 2.918 ( 1.712 10.074 0.636) 10.239 3.466 ( 10.866 6.848 -2.463) 13.078 3.583 ( 9.334 5.474 2.455) 11.095 3.916 ( 1.280 7.439 0.205) 7.551 3.950 ( 1.060 7.485 -0.053) 7.560 4.609 ( 0.622 1.848 -0.323) 1.977 4.966 ( 9.680 5.881 -1.122) 11.382 5.222 ( -4.636 -6.823 0.208) 8.252 5.338 ( 0.507 -2.425 1.341) 2.817 16.097 ( -9.384 -16.314 -2.450) 18.979 19.592 ( -10.040 -9.493 2.762) 14.091 22.303 ( 2.953 28.977 -0.249) 29.128 25.331 ( 24.067 -9.480 0.178) 25.868 26.372 ( 5.192 3.890 -0.577) 6.513 28.247 ( -0.605 12.748 0.396) 12.768 34.064 ( -4.248 -4.469 -0.194) 6.169 34.997 ( -4.963 -8.227 0.100) 9.609 37.528 ( -2.783 4.716 -0.146) 5.478 37.900 ( -0.743 3.486 0.224) 3.571 38.921 ( 3.812 -1.241 0.323) 4.022 39.835 ( -6.289 -10.693 -0.590) 12.419 ======================= Grid point 319 (108/417) ======================= q-point: ( 0.50 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 10.583 8.526 -0.324) 13.594 2.747 ( 4.855 4.713 -0.696) 6.802 2.819 ( 2.076 14.089 -0.091) 14.242 3.040 ( -0.801 11.797 1.181) 11.883 3.648 ( 7.004 1.585 -2.044) 7.466 3.730 ( 4.875 0.407 0.994) 4.992 4.024 ( 1.364 9.189 1.196) 9.367 4.047 ( 0.100 9.833 -0.392) 9.842 4.593 ( -2.329 -0.715 -0.286) 2.453 5.002 ( -5.577 -6.491 0.758) 8.591 5.214 ( 8.597 1.259 -1.123) 8.761 5.389 ( 5.341 -0.815 0.837) 5.467 15.810 ( -6.055 -14.467 -1.767) 15.782 19.367 ( -8.482 -5.374 1.857) 10.211 22.583 ( -3.437 29.505 -0.279) 29.706 25.632 ( 26.207 -16.042 0.172) 30.728 26.425 ( 2.752 -5.881 -0.658) 6.527 28.327 ( -4.581 13.345 0.472) 14.117 33.984 ( -2.294 -1.059 -0.127) 2.530 34.842 ( -3.549 -8.303 -0.012) 9.029 37.529 ( -3.891 7.055 -0.083) 8.057 37.925 ( -1.602 5.487 0.177) 5.719 38.962 ( 4.056 -3.614 -0.229) 5.437 39.624 ( -5.275 -11.599 0.184) 12.744 ======================= Grid point 320 (109/417) ======================= q-point: ( 0.56 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 6.309 4.300 -0.118) 7.636 2.860 ( 4.757 1.843 -0.277) 5.109 2.945 ( -1.759 11.755 -0.494) 11.896 3.108 ( -4.662 10.959 0.994) 11.951 3.742 ( 4.091 -0.119 -1.437) 4.338 3.783 ( 2.004 -0.597 0.303) 2.113 4.120 ( -1.087 8.596 1.076) 8.731 4.128 ( -2.301 10.138 -0.281) 10.399 4.542 ( -2.001 -1.204 -0.104) 2.337 4.853 ( -3.708 -5.838 0.444) 6.931 5.348 ( 6.787 -1.587 -0.201) 6.973 5.469 ( 5.282 -2.645 0.138) 5.909 15.619 ( -0.947 -11.607 -1.038) 11.691 19.217 ( -5.627 -1.393 0.940) 5.872 22.755 ( -9.365 28.135 -0.258) 29.654 25.892 ( 24.368 -18.967 0.162) 30.880 26.363 ( 2.105 -13.878 -0.732) 14.056 28.363 ( -6.897 14.198 0.403) 15.790 33.956 ( -1.367 1.168 -0.123) 1.802 34.728 ( -0.590 -7.564 0.005) 7.587 37.533 ( -4.752 8.595 -0.007) 9.821 37.948 ( -2.809 6.728 0.099) 7.292 38.990 ( 4.348 -5.012 -0.479) 6.652 39.454 ( -1.659 -10.493 0.505) 10.636 ======================= Grid point 321 (110/417) ======================= q-point: (-0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( -0.066 -0.044 0.059) 0.099 2.922 ( 1.644 -1.439 0.647) 2.279 2.988 ( -4.820 8.511 -0.905) 9.823 3.109 ( -7.462 11.184 0.071) 13.445 3.769 ( 0.623 -1.680 -1.672) 2.451 3.809 ( 1.425 -0.555 1.292) 2.002 4.145 ( -5.020 6.568 0.381) 8.275 4.164 ( -5.027 10.167 -0.087) 11.342 4.514 ( 0.021 -0.738 -0.373) 0.827 4.793 ( 1.841 -2.948 0.629) 3.532 5.402 ( 2.992 -4.477 0.428) 5.402 5.499 ( 2.514 -4.982 -0.434) 5.597 15.556 ( 5.205 -8.128 -0.434) 9.661 19.159 ( -1.609 1.837 0.228) 2.453 22.813 ( -14.719 25.614 -0.214) 29.543 26.031 ( 13.908 -24.727 0.083) 28.370 26.284 ( 8.264 -13.605 -0.713) 15.934 28.374 ( -8.287 14.144 0.307) 16.396 33.951 ( -1.173 1.969 -0.185) 2.299 34.685 ( 3.400 -5.726 0.114) 6.661 37.535 ( -5.191 9.075 0.063) 10.455 37.957 ( -3.994 6.786 0.012) 7.874 39.004 ( 3.570 -5.968 -0.501) 6.973 39.385 ( 4.217 -7.512 0.552) 8.632 ======================= Grid point 322 (111/417) ======================= q-point: (-0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( -7.056 -3.228 -0.328) 7.766 2.883 ( -3.428 -3.136 1.244) 4.810 2.941 ( -9.137 6.641 -0.844) 11.327 3.088 ( -7.630 9.831 -0.340) 12.450 3.741 ( -0.929 -2.847 -1.087) 3.186 3.802 ( -1.119 -2.541 1.110) 2.990 4.093 ( -7.500 5.159 -0.500) 9.117 4.147 ( -7.447 7.351 0.760) 10.491 4.532 ( 2.169 1.034 -0.721) 2.509 4.856 ( 6.605 0.114 0.625) 6.635 5.365 ( -1.312 -6.232 0.973) 6.443 5.454 ( -0.957 -6.241 -0.926) 6.382 15.634 ( 11.299 -4.652 -0.078) 12.219 19.200 ( 3.157 3.845 -0.154) 4.977 22.757 ( -19.622 22.280 -0.172) 29.689 25.885 ( 4.161 -30.595 -0.248) 30.878 26.368 ( 11.076 -8.638 -0.393) 14.052 28.361 ( -8.988 12.948 0.235) 15.763 33.955 ( -0.315 1.764 -0.216) 1.804 34.731 ( 6.910 -3.231 0.198) 7.631 37.535 ( -5.015 8.468 0.108) 9.842 37.946 ( -4.507 5.717 -0.055) 7.280 38.991 ( 2.154 -6.196 -0.428) 6.574 39.453 ( 9.946 -3.883 0.479) 10.688 ======================= Grid point 323 (112/417) ======================= q-point: (-0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( -12.977 -4.611 -0.825) 13.796 2.775 ( -6.616 -1.585 1.210) 6.910 2.807 ( -13.080 4.612 -0.874) 13.897 3.026 ( -9.206 6.503 0.275) 11.275 3.667 ( -4.072 -4.324 -1.249) 6.069 3.722 ( -4.262 -5.071 1.059) 6.708 4.004 ( -7.910 3.953 -0.226) 8.846 4.062 ( -9.178 4.554 0.588) 10.263 4.589 ( 2.256 1.828 -0.540) 2.953 4.994 ( 7.656 1.203 0.255) 7.754 5.250 ( -4.341 -6.399 1.210) 7.827 5.360 ( -2.606 -5.200 -1.027) 5.907 15.837 ( 16.235 -1.799 -0.037) 16.334 19.336 ( 8.085 4.485 -0.149) 9.247 22.585 ( -23.833 17.850 -0.143) 29.776 25.626 ( 0.816 -30.678 -0.253) 30.690 26.430 ( 3.699 -5.157 -0.335) 6.355 28.322 ( -9.314 10.516 0.206) 14.050 33.983 ( 2.161 1.518 -0.180) 2.647 34.846 ( 8.914 -1.137 0.206) 8.988 37.532 ( -4.137 6.940 0.117) 8.081 37.921 ( -3.998 4.074 -0.083) 5.709 38.960 ( 0.826 -5.268 -0.400) 5.348 39.627 ( 13.038 -1.274 0.432) 13.107 ======================= Grid point 324 (113/417) ======================= q-point: (-0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -16.838 -4.225 -0.893) 17.383 2.582 ( -17.541 2.918 -0.354) 17.786 2.636 ( -9.824 -0.265 0.400) 9.835 2.918 ( -8.579 2.972 0.678) 9.104 3.491 ( -11.607 -4.984 -1.857) 12.768 3.556 ( -9.764 -6.305 1.722) 11.750 3.909 ( -6.950 2.476 -0.220) 7.381 3.957 ( -7.017 2.990 0.371) 7.636 4.605 ( -2.284 0.213 -0.533) 2.355 4.989 ( -8.127 -4.741 0.543) 9.425 5.244 ( 8.774 0.493 -0.187) 8.790 5.293 ( -0.078 -2.042 0.111) 2.046 16.130 ( 19.304 0.032 -0.304) 19.306 19.552 ( 12.628 3.931 0.223) 13.227 22.305 ( -26.628 12.046 -0.123) 29.227 25.326 ( -3.768 -25.494 -0.164) 25.771 26.376 ( -6.058 -2.332 -0.317) 6.499 28.243 ( -10.579 6.797 0.188) 12.575 34.065 ( 6.086 1.529 -0.129) 6.276 34.998 ( 9.487 0.041 0.187) 9.489 37.532 ( -2.687 4.767 0.084) 5.473 37.895 ( -2.661 2.388 -0.070) 3.576 38.912 ( -1.380 -3.799 -0.289) 4.052 39.848 ( 13.237 0.017 0.274) 13.240 ======================= Grid point 325 (114/417) ======================= q-point: (-0.12 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -19.107 -2.523 -0.440) 19.277 2.273 ( -21.164 0.801 -0.140) 21.179 2.430 ( -14.918 0.409 0.022) 14.924 2.822 ( -4.523 0.582 0.367) 4.575 3.168 ( -21.281 -3.747 -1.197) 21.641 3.276 ( -17.375 -4.666 1.266) 18.035 3.825 ( -4.966 1.142 -0.253) 5.102 3.889 ( -3.724 1.116 0.233) 3.895 4.511 ( -7.998 -0.532 -0.491) 8.030 4.766 ( -12.198 -3.750 0.142) 12.762 5.315 ( 3.769 0.031 -0.746) 3.843 5.432 ( 10.849 1.110 1.077) 10.958 16.469 ( 20.303 0.678 -0.773) 20.329 19.831 ( 16.446 2.453 0.818) 16.648 21.934 ( -27.201 5.438 -0.085) 27.739 25.017 ( -9.175 -14.814 -0.077) 17.425 26.174 ( -16.455 -0.498 -0.269) 16.465 28.081 ( -14.721 2.472 0.032) 14.927 34.222 ( 11.013 1.348 -0.080) 11.096 35.157 ( 8.946 0.329 0.190) 8.954 37.535 ( -0.991 2.286 0.015) 2.491 37.880 ( -0.952 0.972 -0.014) 1.361 38.831 ( -5.004 -2.065 0.130) 5.415 40.053 ( 10.415 0.149 -0.369) 10.422 ======================= Grid point 326 (115/417) ======================= q-point: (-0.06 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -20.258 0.352 0.547) 20.268 1.894 ( -24.143 0.192 0.273) 24.145 2.153 ( -17.547 -0.216 -0.397) 17.553 2.714 ( -29.802 0.136 -0.491) 29.807 2.779 ( -1.155 -0.447 -0.584) 1.370 2.901 ( -24.094 0.105 0.787) 24.107 3.763 ( -3.250 0.273 0.190) 3.267 3.847 ( -1.964 -0.250 -0.219) 1.992 4.351 ( -10.497 0.705 0.269) 10.524 4.527 ( -13.202 -0.777 -0.923) 13.257 5.393 ( 5.049 0.021 -0.481) 5.072 5.622 ( 10.575 0.039 1.196) 10.643 16.807 ( 19.349 0.032 -1.215) 19.387 20.148 ( 19.384 0.045 1.288) 19.427 21.515 ( -25.000 0.026 -0.003) 25.000 24.751 ( -13.217 0.086 -0.035) 13.217 25.813 ( -26.066 0.164 -0.066) 26.066 27.779 ( -22.782 -0.083 -0.955) 22.802 34.460 ( 16.409 -0.004 0.128) 16.410 35.299 ( 7.566 -0.077 0.228) 7.570 37.542 ( 0.545 -0.039 -0.066) 0.550 37.883 ( 0.634 0.058 0.073) 0.640 38.698 ( -10.055 0.125 1.095) 10.115 40.182 ( 4.982 -0.174 -2.358) 5.515 ======================= Grid point 331 (116/417) ======================= q-point: ( 0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -0.000 19.568 2.151) 19.686 1.621 ( -0.000 23.005 0.460) 23.010 1.954 ( -0.000 15.633 -0.490) 15.641 2.442 ( -0.000 33.994 -0.736) 34.002 2.702 ( -0.000 22.878 0.807) 22.892 2.776 ( -0.000 6.679 -1.532) 6.852 3.710 ( -0.000 1.347 -0.078) 1.349 3.825 ( -0.000 0.334 0.079) 0.343 4.214 ( -0.000 11.670 -0.988) 11.711 4.463 ( -0.000 13.922 -0.741) 13.942 5.439 ( 0.000 -5.199 0.873) 5.272 5.732 ( 0.000 -9.874 1.143) 9.940 16.969 ( 0.000 -16.882 -2.968) 17.141 20.347 ( 0.000 -20.180 2.472) 20.331 21.183 ( -0.000 16.563 0.078) 16.563 24.957 ( -0.000 25.003 0.065) 25.003 25.368 ( -0.000 28.891 -0.679) 28.898 27.454 ( -0.000 28.693 -4.967) 29.120 34.631 ( 0.000 -20.385 1.072) 20.413 35.380 ( 0.000 -6.290 0.801) 6.340 37.521 ( 0.000 -2.805 -0.066) 2.806 37.884 ( 0.000 -2.075 -0.017) 2.075 38.639 ( -0.000 12.969 3.800) 13.515 40.147 ( -0.000 3.376 -9.050) 9.659 ======================= Grid point 332 (117/417) ======================= q-point: ( 0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 4.719 18.778 1.292) 19.405 1.914 ( 8.796 20.223 0.446) 22.058 2.161 ( 6.403 14.971 -0.616) 16.294 2.761 ( 1.379 6.107 -2.616) 6.785 2.803 ( 4.870 23.867 -0.050) 24.359 3.025 ( 3.492 25.120 1.827) 25.427 3.745 ( 2.399 1.786 -0.009) 2.990 3.841 ( 1.252 0.966 -0.031) 1.581 4.354 ( 3.495 10.279 -0.386) 10.864 4.599 ( 0.294 14.142 -1.514) 14.226 5.379 ( -1.322 -5.031 0.943) 5.286 5.615 ( -2.546 -9.953 1.133) 10.336 16.742 ( -6.050 -17.541 -3.118) 18.815 20.124 ( -4.181 -18.665 3.255) 19.402 21.468 ( 13.210 17.862 -0.030) 22.216 25.020 ( -14.355 23.797 -0.057) 27.792 25.801 ( 13.610 22.874 -0.357) 26.619 27.766 ( 9.150 18.764 -1.771) 20.951 34.418 ( -3.850 -15.678 0.181) 16.145 35.294 ( -2.514 -7.157 0.596) 7.609 37.510 ( 1.768 -2.264 -0.105) 2.874 37.870 ( 0.621 -1.376 0.090) 1.513 38.764 ( 0.967 8.901 2.519) 9.301 40.130 ( -1.655 -1.913 -5.110) 5.701 ======================= Grid point 333 (118/417) ======================= q-point: ( 0.38 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 7.667 16.902 0.562) 18.568 2.276 ( 11.537 17.597 0.486) 21.047 2.420 ( 7.232 12.886 -1.121) 14.819 2.823 ( 2.909 4.834 -0.466) 5.661 3.135 ( 7.127 19.323 -1.775) 20.671 3.315 ( 4.874 18.028 2.413) 18.831 3.824 ( 3.929 3.452 0.142) 5.231 3.889 ( 2.364 3.020 -0.239) 3.843 4.508 ( 4.361 6.629 0.168) 7.937 4.746 ( 1.935 13.146 -2.172) 13.464 5.307 ( -1.874 -4.361 0.995) 4.850 5.464 ( -4.311 -9.120 1.121) 10.149 16.430 ( -9.428 -17.649 -2.969) 20.228 19.874 ( -6.134 -15.765 3.374) 17.250 21.931 ( 18.294 20.723 -0.173) 27.643 25.017 ( -8.095 15.376 0.077) 17.377 26.166 ( 7.888 14.303 -0.487) 16.341 28.080 ( 9.754 12.287 -0.145) 15.689 34.219 ( -4.364 -10.363 -0.188) 11.246 35.163 ( -4.372 -8.023 0.350) 9.144 37.534 ( 2.393 -0.240 -0.161) 2.410 37.882 ( 1.437 0.319 0.208) 1.487 38.846 ( 0.547 4.368 1.264) 4.580 40.025 ( -4.586 -7.251 -2.265) 8.873 ======================= Grid point 334 (119/417) ======================= q-point: ( 0.44 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 9.117 14.390 0.009) 17.035 2.599 ( 5.612 10.007 -0.922) 11.510 2.637 ( 8.039 13.980 0.055) 16.127 2.969 ( 5.328 10.127 0.657) 11.461 3.391 ( 6.617 10.297 -2.222) 12.440 3.534 ( 4.720 9.093 2.275) 10.495 3.942 ( 4.114 6.474 0.355) 7.679 3.982 ( 3.294 6.604 -0.303) 7.386 4.609 ( 2.104 2.468 -0.004) 3.243 4.909 ( 4.548 9.516 -1.732) 10.688 5.222 ( -3.362 -6.794 0.531) 7.598 5.329 ( -2.553 -4.099 1.314) 5.005 16.089 ( -9.885 -17.093 -2.523) 19.906 19.637 ( -6.706 -11.853 2.858) 13.915 22.443 ( 14.855 25.611 -0.279) 29.609 25.053 ( 1.894 2.937 0.184) 3.500 26.342 ( 2.670 4.244 -0.612) 5.051 28.319 ( 5.706 10.089 0.393) 11.598 34.078 ( -3.129 -5.592 -0.207) 6.412 34.999 ( -5.232 -8.767 0.129) 10.211 37.581 ( 1.589 2.966 -0.177) 3.369 37.924 ( 1.655 2.667 0.259) 3.150 38.877 ( 0.489 0.257 0.372) 0.666 39.835 ( -6.698 -10.984 -0.687) 12.884 ======================= Grid point 335 (120/417) ======================= q-point: ( 0.50 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 8.942 11.311 -0.233) 14.421 2.717 ( 3.107 4.151 -0.841) 5.253 2.908 ( 5.220 14.779 0.472) 15.681 3.161 ( 2.760 13.044 0.771) 13.355 3.556 ( 5.767 3.878 -2.064) 7.250 3.663 ( 4.025 2.374 1.326) 4.857 4.079 ( 3.084 8.513 0.871) 9.096 4.118 ( 3.068 9.652 -0.450) 10.138 4.626 ( -1.337 0.197 -0.143) 1.358 5.018 ( -2.167 -3.987 0.697) 4.591 5.110 ( 2.796 -0.435 -1.433) 3.172 5.313 ( 2.151 -1.185 1.062) 2.676 15.773 ( -7.826 -15.635 -1.885) 17.586 19.437 ( -6.358 -7.324 2.017) 9.906 22.894 ( 5.377 31.215 -0.300) 31.676 25.146 ( 12.921 -9.106 0.196) 15.809 26.344 ( -0.782 -6.223 -0.655) 6.306 28.474 ( 1.211 10.159 0.479) 10.242 34.004 ( -1.523 -1.561 -0.121) 2.184 34.825 ( -4.794 -9.258 -0.023) 10.426 37.639 ( -0.284 6.585 -0.130) 6.592 37.986 ( 0.987 5.185 0.233) 5.283 38.876 ( 1.390 -3.188 -0.162) 3.481 39.602 ( -6.666 -12.815 0.084) 14.445 ======================= Grid point 336 (121/417) ======================= q-point: ( 0.56 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 6.597 7.635 -0.007) 10.090 2.798 ( 3.570 1.284 -0.399) 3.815 3.089 ( 0.105 13.117 0.227) 13.120 3.294 ( -2.245 12.839 0.389) 13.040 3.665 ( 4.955 1.164 -1.598) 5.335 3.733 ( 3.163 -0.397 0.532) 3.232 4.205 ( 1.443 8.668 1.357) 8.891 4.254 ( 0.639 11.391 -0.692) 11.430 4.584 ( -3.396 0.270 0.054) 3.407 4.864 ( -5.145 -7.602 0.383) 9.188 5.214 ( 6.606 -1.191 -0.590) 6.738 5.353 ( 4.371 -3.268 0.425) 5.474 15.531 ( -3.633 -13.171 -1.208) 13.716 19.293 ( -5.178 -2.881 1.152) 6.036 23.209 ( -5.989 34.471 -0.236) 34.989 25.315 ( 21.499 -15.944 0.151) 26.766 26.207 ( -1.893 -16.003 -0.673) 16.129 28.565 ( -2.282 10.596 0.412) 10.847 33.989 ( -0.665 1.621 -0.074) 1.754 34.669 ( -2.620 -9.320 -0.065) 9.681 37.693 ( -2.792 9.634 -0.035) 10.031 38.052 ( -0.673 7.198 0.147) 7.231 38.869 ( 3.053 -5.600 -0.451) 6.394 39.383 ( -3.940 -13.024 0.445) 13.614 ======================= Grid point 337 (122/417) ======================= q-point: ( 0.62 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 1.805 3.627 0.481) 4.080 2.855 ( 3.199 -1.637 -0.240) 3.602 3.171 ( -4.129 11.000 -0.060) 11.750 3.340 ( -6.073 11.816 -0.314) 13.289 3.730 ( 2.257 -0.583 -1.821) 2.958 3.773 ( 2.440 -0.774 1.171) 2.815 4.287 ( -2.333 8.100 1.063) 8.496 4.349 ( -3.074 12.236 -0.406) 12.622 4.530 ( -3.052 0.447 -0.017) 3.085 4.741 ( -0.864 -5.746 0.291) 5.818 5.284 ( 5.203 -4.870 0.151) 7.128 5.383 ( 4.305 -6.024 -0.199) 7.407 15.402 ( 2.086 -9.911 -0.644) 10.149 19.215 ( -3.048 0.630 0.475) 3.149 23.362 ( -15.034 33.727 -0.148) 36.926 25.527 ( 20.724 -17.809 0.150) 27.325 26.007 ( 2.703 -21.998 -0.724) 22.175 28.608 ( -4.855 10.391 0.311) 11.473 34.000 ( -1.327 3.316 -0.116) 3.574 34.572 ( 1.645 -8.302 0.011) 8.464 37.727 ( -5.278 11.056 0.066) 12.252 38.095 ( -3.133 7.798 0.028) 8.404 38.871 ( 4.254 -6.664 -0.553) 7.925 39.241 ( 1.695 -11.414 0.580) 11.554 ======================= Grid point 338 (123/417) ======================= q-point: (-0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( -4.181 0.156 0.409) 4.203 2.863 ( 0.649 -3.506 0.114) 3.567 3.167 ( -7.766 8.806 -0.204) 11.743 3.331 ( -8.002 11.070 -0.735) 13.679 3.726 ( -0.331 -2.053 -1.383) 2.497 3.791 ( 0.256 -1.964 1.322) 2.381 4.272 ( -7.162 5.598 0.310) 9.095 4.363 ( -8.283 9.256 0.301) 12.425 4.518 ( 0.742 2.247 -0.545) 2.428 4.745 ( 5.477 -2.019 0.471) 5.856 5.294 ( 2.418 -6.406 0.695) 6.882 5.375 ( 2.377 -7.166 -0.688) 7.581 15.410 ( 8.354 -6.374 -0.305) 10.513 19.206 ( 0.118 2.591 0.110) 2.596 23.363 ( -21.564 29.983 -0.090) 36.932 25.522 ( 4.776 -26.995 -0.067) 27.414 26.012 ( 18.080 -13.068 -0.497) 22.314 28.606 ( -6.779 9.264 0.230) 11.482 33.998 ( -2.267 2.759 -0.170) 3.575 34.574 ( 6.521 -5.473 0.104) 8.514 37.728 ( -6.847 10.160 0.122) 12.252 38.093 ( -5.327 6.495 -0.053) 8.400 38.873 ( 3.832 -6.794 -0.468) 7.814 39.239 ( 8.858 -7.379 0.507) 11.540 ======================= Grid point 339 (124/417) ======================= q-point: (-0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( -9.953 -1.760 -0.145) 10.108 2.816 ( -2.229 -2.946 0.407) 3.716 3.077 ( -11.620 6.194 -0.195) 13.169 3.276 ( -10.222 8.855 -0.422) 13.531 3.681 ( -2.068 -2.581 -1.019) 3.461 3.741 ( -2.858 -3.944 1.058) 4.984 4.182 ( -8.415 3.604 0.120) 9.155 4.270 ( -10.090 4.522 0.213) 11.060 4.574 ( 1.929 3.378 -0.418) 3.913 4.862 ( 8.549 0.278 0.359) 8.561 5.243 ( -1.469 -6.027 0.722) 6.245 5.329 ( 0.052 -5.533 -0.678) 5.574 15.553 ( 14.015 -3.208 -0.257) 14.380 19.269 ( 4.173 2.887 0.112) 5.076 23.213 ( -26.785 22.539 -0.082) 35.006 25.308 ( 3.021 -26.513 -0.150) 26.685 26.215 ( 14.900 -6.188 -0.326) 16.138 28.560 ( -8.185 7.135 0.192) 10.860 33.987 ( -0.999 1.442 -0.144) 1.760 34.673 ( 9.374 -2.415 0.106) 9.681 37.697 ( -6.892 7.256 0.105) 10.008 38.047 ( -5.964 4.108 -0.048) 7.242 38.871 ( 3.193 -5.246 -0.343) 6.151 39.381 ( 13.396 -3.288 0.363) 13.798 ======================= Grid point 340 (125/417) ======================= q-point: (-0.19 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -14.422 -1.560 -0.379) 14.511 2.740 ( -4.456 -1.330 0.113) 4.652 2.893 ( -15.518 2.976 -0.007) 15.801 3.148 ( -12.648 4.392 0.171) 13.390 3.594 ( -5.640 -1.968 -1.777) 6.232 3.636 ( -5.443 -3.502 1.650) 6.679 4.065 ( -8.595 1.917 0.088) 8.806 4.128 ( -10.015 1.778 0.089) 10.172 4.624 ( 0.703 1.484 -0.261) 1.663 5.006 ( 5.523 0.015 0.290) 5.531 5.152 ( -1.436 -3.224 -0.202) 3.535 5.281 ( -0.706 -2.152 0.183) 2.272 15.806 ( 18.128 -0.962 -0.500) 18.161 19.401 ( 8.671 1.875 0.472) 8.884 22.899 ( -29.720 11.047 -0.106) 31.707 25.140 ( 1.445 -15.571 -0.050) 15.638 26.353 ( 5.789 -2.216 -0.278) 6.205 28.467 ( -9.437 3.896 0.187) 10.211 34.005 ( 2.233 0.662 -0.095) 2.331 34.827 ( 10.298 -0.618 0.067) 10.317 37.643 ( -5.532 3.469 0.027) 6.530 37.981 ( -5.008 1.772 0.016) 5.312 38.876 ( 1.708 -2.537 -0.189) 3.064 39.604 ( 14.899 -0.893 0.175) 14.927 ======================= Grid point 341 (126/417) ======================= q-point: (-0.12 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -17.359 0.272 -0.095) 17.362 2.615 ( -17.123 0.023 -0.625) 17.135 2.633 ( -10.163 -0.082 0.350) 10.169 2.959 ( -11.077 -0.163 0.292) 11.082 3.435 ( -12.490 0.517 -1.962) 12.654 3.489 ( -10.565 -0.480 1.995) 10.762 3.937 ( -7.475 0.111 0.110) 7.477 3.987 ( -7.326 -0.155 -0.103) 7.328 4.610 ( -3.503 0.218 -0.010) 3.510 4.931 ( -9.494 -0.293 -0.534) 9.514 5.241 ( 8.069 -0.038 -2.282) 8.385 5.285 ( 3.648 0.141 2.858) 4.637 16.126 ( 20.230 -0.005 -0.963) 20.253 19.595 ( 12.986 0.046 1.098) 13.032 22.447 ( -29.666 0.023 -0.107) 29.666 25.050 ( -3.440 0.066 0.069) 3.441 26.350 ( -5.075 0.074 -0.236) 5.081 28.313 ( -11.390 -0.040 0.152) 11.391 34.081 ( 6.465 0.033 -0.082) 6.466 34.997 ( 10.042 -0.056 0.050) 10.042 37.584 ( -3.352 -0.042 -0.069) 3.353 37.920 ( -3.126 0.039 0.101) 3.128 38.871 ( -1.056 0.111 0.139) 1.070 39.845 ( 13.791 -0.116 -0.260) 13.793 ======================= Grid point 342 (127/417) ======================= q-point: (-0.06 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -18.993 3.126 0.598) 19.258 2.277 ( -21.118 -0.498 0.486) 21.129 2.425 ( -14.918 -0.728 -0.806) 14.957 2.817 ( -4.708 -1.077 -0.473) 4.853 3.169 ( -21.322 4.334 -0.968) 21.780 3.276 ( -17.281 4.138 1.305) 17.818 3.829 ( -4.856 -0.788 0.433) 4.938 3.885 ( -3.796 -1.457 -0.478) 4.095 4.519 ( -7.696 1.058 0.711) 7.801 4.754 ( -12.487 3.088 -1.712) 12.977 5.314 ( 3.894 0.072 -0.722) 3.961 5.438 ( 10.699 -1.047 1.792) 10.898 16.465 ( 20.286 -0.680 -1.495) 20.353 19.837 ( 16.477 -2.370 1.781) 16.741 21.934 ( -27.187 -5.382 -0.048) 27.715 25.018 ( -9.180 14.925 0.133) 17.523 26.175 ( -16.398 0.679 -0.110) 16.412 28.080 ( -14.833 -2.553 -0.141) 15.052 34.222 ( 11.008 -1.314 -0.071) 11.086 35.156 ( 8.956 -0.452 0.081) 8.968 37.534 ( -0.989 -2.345 -0.137) 2.548 37.882 ( -0.945 -0.898 0.174) 1.315 38.836 ( -4.879 2.282 0.805) 5.447 40.046 ( 10.161 -0.380 -1.334) 10.255 ======================= Grid point 348 (128/417) ======================= q-point: ( 0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -0.000 19.315 0.773) 19.331 2.026 ( -0.000 18.550 0.325) 18.553 2.244 ( -0.000 14.203 -0.350) 14.207 2.780 ( -0.000 3.018 -1.433) 3.341 3.019 ( -0.000 25.436 -1.235) 25.466 3.246 ( -0.000 23.775 2.067) 23.865 3.738 ( -0.000 1.578 -0.220) 1.593 3.833 ( 0.000 0.349 0.218) 0.412 4.428 ( -0.000 9.951 -0.562) 9.967 4.736 ( -0.000 14.561 -1.457) 14.633 5.344 ( 0.000 -4.607 0.965) 4.707 5.541 ( 0.000 -9.889 1.129) 9.953 16.618 ( 0.000 -17.612 -3.157) 17.893 19.980 ( 0.000 -18.831 3.435) 19.142 21.511 ( -0.000 16.746 -0.072) 16.746 25.462 ( -0.000 26.297 0.095) 26.298 25.860 ( -0.000 21.611 -0.502) 21.617 27.832 ( -0.000 12.420 -0.746) 12.443 34.304 ( 0.000 -13.681 -0.087) 13.681 35.246 ( 0.000 -7.618 0.493) 7.634 37.465 ( 0.000 -2.820 -0.089) 2.821 37.847 ( 0.000 -1.606 0.088) 1.608 38.848 ( -0.000 7.771 1.778) 7.972 40.109 ( -0.000 -4.445 -3.361) 5.572 ======================= Grid point 349 (129/417) ======================= q-point: ( 0.38 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 3.217 18.315 0.352) 18.599 2.267 ( 8.028 15.896 0.310) 17.811 2.427 ( 5.612 12.558 -0.566) 13.767 2.824 ( 1.619 4.239 -0.597) 4.576 3.256 ( 1.733 19.737 -1.607) 19.878 3.465 ( 0.178 18.739 2.168) 18.864 3.785 ( 3.623 2.579 -0.180) 4.451 3.862 ( 2.841 1.243 0.179) 3.106 4.524 ( 1.537 6.518 -0.461) 6.713 4.869 ( -0.436 14.044 -1.504) 14.131 5.294 ( -1.232 -4.099 0.716) 4.340 5.436 ( -2.094 -8.010 1.277) 8.377 16.389 ( -6.058 -17.139 -2.926) 18.412 19.790 ( -2.308 -17.053 3.295) 17.521 21.803 ( 15.051 16.295 -0.161) 22.183 25.482 ( -20.126 23.115 0.073) 30.649 26.173 ( 8.702 15.571 -0.479) 17.844 28.008 ( 9.053 7.504 0.045) 11.759 34.169 ( -1.775 -10.044 -0.223) 10.202 35.147 ( -2.782 -8.005 0.299) 8.480 37.467 ( 3.214 -2.052 -0.116) 3.815 37.850 ( 1.827 -0.715 0.161) 1.968 38.906 ( -1.184 5.291 0.956) 5.505 40.018 ( -3.293 -7.771 -1.690) 8.608 ======================= Grid point 350 (130/417) ======================= q-point: ( 0.44 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 5.288 16.184 0.055) 17.026 2.578 ( 10.747 13.093 0.126) 16.940 2.629 ( 5.105 9.450 -0.950) 10.783 2.939 ( 6.698 6.568 0.630) 9.402 3.437 ( 1.388 12.558 -1.810) 12.763 3.607 ( -0.608 10.672 1.716) 10.826 3.909 ( 6.090 5.338 0.255) 8.103 3.961 ( 5.584 4.673 -0.044) 7.282 4.592 ( 1.836 1.663 -0.312) 2.497 4.983 ( -0.507 11.241 -1.132) 11.309 5.212 ( -3.044 -6.355 -0.035) 7.046 5.345 ( -2.585 -2.024 1.546) 3.629 16.087 ( -9.426 -16.163 -2.451) 18.870 19.599 ( -3.080 -13.695 2.761) 14.306 22.299 ( 23.764 16.955 -0.249) 29.194 25.326 ( -20.044 15.979 0.176) 25.634 26.362 ( 1.110 6.284 -0.571) 6.407 28.252 ( 11.164 6.000 0.391) 12.680 34.060 ( -1.639 -6.028 -0.193) 6.250 35.002 ( -4.889 -8.368 0.100) 9.692 37.531 ( 5.401 0.002 -0.150) 5.403 37.897 ( 3.499 1.092 0.228) 3.672 38.912 ( -2.612 2.397 0.315) 3.559 39.843 ( -6.502 -10.423 -0.582) 12.298 ======================= Grid point 351 (131/417) ======================= q-point: ( 0.50 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 6.260 13.252 -0.086) 14.656 2.726 ( 1.138 5.320 -0.984) 5.529 2.904 ( 10.748 11.714 0.565) 15.908 3.162 ( 9.467 8.378 0.759) 12.664 3.545 ( 1.231 6.729 -1.680) 7.044 3.673 ( -0.521 5.034 0.921) 5.144 4.077 ( 6.238 6.875 0.778) 9.315 4.124 ( 6.107 7.763 -0.388) 9.885 4.619 ( 1.434 -1.330 -0.045) 1.957 5.022 ( -2.733 -4.233 0.678) 5.084 5.115 ( -2.222 3.396 -1.698) 4.399 5.310 ( -1.730 0.671 1.246) 2.235 15.769 ( -9.595 -14.589 -1.832) 17.557 19.440 ( -3.028 -9.310 1.988) 9.990 22.893 ( 24.460 20.231 -0.281) 31.743 25.143 ( -14.079 6.477 0.232) 15.499 26.339 ( -4.692 -3.969 -0.592) 6.174 28.477 ( 8.014 6.234 0.439) 10.163 34.002 ( -0.415 -2.209 -0.092) 2.250 34.828 ( -5.847 -8.695 -0.052) 10.478 37.641 ( 5.697 3.147 -0.154) 6.510 37.985 ( 4.117 3.388 0.248) 5.337 38.871 ( -3.052 -0.639 -0.096) 3.120 39.607 ( -8.187 -11.904 0.017) 14.447 ======================= Grid point 352 (132/417) ======================= q-point: ( 0.56 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 5.778 9.853 0.057) 11.423 2.775 ( 0.875 2.197 -0.501) 2.418 3.161 ( 6.228 10.680 0.669) 12.381 3.381 ( 5.846 8.523 0.054) 10.336 3.618 ( 2.310 3.469 -1.164) 4.327 3.701 ( 0.115 1.597 0.204) 1.614 4.238 ( 4.141 7.324 1.069) 8.481 4.305 ( 5.343 9.473 -0.523) 10.888 4.624 ( 0.248 -0.214 0.216) 0.393 4.874 ( -5.066 -8.402 0.313) 9.816 5.145 ( 0.625 2.162 -1.048) 2.482 5.291 ( -0.437 -1.611 0.751) 1.830 15.493 ( -6.982 -12.235 -1.196) 14.137 19.327 ( -2.686 -4.737 1.195) 5.575 23.473 ( 15.781 27.337 -0.226) 31.566 25.010 ( -2.070 -3.945 0.195) 4.460 26.138 ( -8.040 -14.284 -0.557) 16.401 28.639 ( 3.700 6.616 0.365) 7.589 34.002 ( 0.861 1.265 -0.010) 1.530 34.645 ( -5.311 -9.004 -0.125) 10.454 37.773 ( 3.876 6.949 -0.100) 7.958 38.093 ( 3.241 5.454 0.212) 6.348 38.807 ( -1.743 -3.487 -0.349) 3.914 39.353 ( -7.503 -12.503 0.317) 14.585 ======================= Grid point 353 (133/417) ======================= q-point: ( 0.62 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 3.082 6.453 0.579) 7.174 2.799 ( 1.460 -0.931 -0.517) 1.807 3.312 ( 0.047 9.367 0.582) 9.385 3.508 ( -0.507 8.595 -0.935) 8.660 3.686 ( 2.338 1.730 -0.908) 3.047 3.720 ( 2.320 -1.117 0.442) 2.612 4.359 ( 1.989 6.394 1.208) 6.805 4.472 ( 2.321 10.886 -0.428) 11.139 4.621 ( -3.033 3.688 0.316) 4.786 4.718 ( -3.830 -7.239 -0.093) 8.190 5.164 ( 2.735 -3.545 -0.331) 4.490 5.265 ( 1.651 -5.720 0.194) 5.957 15.307 ( -2.235 -9.127 -0.666) 9.420 19.261 ( -2.151 -1.011 0.566) 2.444 23.894 ( -3.540 35.517 -0.074) 35.693 25.043 ( 15.764 -11.420 0.091) 19.466 25.812 ( -7.432 -24.061 -0.528) 25.188 28.732 ( -0.110 6.389 0.262) 6.395 34.046 ( 0.688 4.280 -0.004) 4.334 34.487 ( -2.378 -9.254 -0.099) 9.555 37.892 ( -0.342 10.470 0.016) 10.476 38.186 ( 0.720 5.735 0.100) 5.781 38.760 ( 1.335 -4.592 -0.513) 4.810 39.133 ( -3.538 -12.627 0.486) 13.122 ======================= Grid point 354 (134/417) ======================= q-point: (-0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( -2.089 2.950 0.895) 3.724 2.809 ( 1.962 -2.543 -0.614) 3.271 3.353 ( -4.661 7.217 0.367) 8.599 3.539 ( -4.910 8.568 -1.230) 9.952 3.705 ( 0.469 -1.155 -1.343) 1.832 3.757 ( 2.092 -1.591 1.327) 2.945 4.410 ( -3.218 3.432 0.981) 4.806 4.574 ( -1.898 8.253 -0.286) 8.473 4.587 ( -7.181 7.013 0.242) 10.041 4.641 ( 2.848 -3.808 -0.219) 4.760 5.175 ( 4.103 -5.731 0.369) 7.058 5.244 ( 3.785 -7.667 -0.398) 8.559 15.246 ( 3.738 -5.633 -0.341) 6.769 19.235 ( -1.050 1.029 0.213) 1.486 24.031 ( -19.718 34.302 0.044) 39.565 25.215 ( 8.405 -15.448 0.066) 17.587 25.544 ( 13.916 -22.930 -0.534) 26.827 28.761 ( -3.201 5.264 0.179) 6.164 34.080 ( -2.845 4.735 -0.072) 5.525 34.416 ( 4.466 -7.420 0.002) 8.660 37.944 ( -6.080 10.658 0.124) 12.271 38.218 ( -2.323 3.727 -0.047) 4.392 38.758 ( 2.464 -3.530 -0.533) 4.338 39.029 ( 5.495 -10.167 0.535) 11.569 ======================= Grid point 355 (135/417) ======================= q-point: (-0.25 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( -6.918 0.126 0.321) 6.926 2.809 ( 0.315 -1.600 -0.160) 1.639 3.299 ( -8.450 3.993 0.259) 9.350 3.506 ( -7.802 6.450 -0.880) 10.161 3.686 ( -0.946 -1.161 -0.705) 1.655 3.744 ( -1.131 -2.948 0.785) 3.254 4.338 ( -6.790 1.091 0.499) 6.895 4.480 ( -10.127 2.909 -0.137) 10.537 4.611 ( -1.961 5.081 -0.002) 5.446 4.722 ( 7.758 -0.587 0.101) 7.781 5.186 ( 2.361 -4.026 0.300) 4.677 5.248 ( 3.613 -4.274 -0.324) 5.606 15.321 ( 9.791 -2.363 -0.280) 10.076 19.247 ( 1.145 1.203 0.190) 1.671 23.897 ( -28.831 20.842 0.005) 35.575 25.038 ( 1.947 -19.230 -0.066) 19.329 25.821 ( 24.735 -5.372 -0.275) 25.313 28.728 ( -5.689 3.140 0.142) 6.500 34.044 ( -4.026 1.582 -0.058) 4.326 34.491 ( 9.263 -2.551 0.007) 9.608 37.894 ( -8.816 5.482 0.075) 10.382 38.181 ( -5.431 2.193 -0.018) 5.857 38.768 ( 3.320 -3.039 -0.319) 4.512 39.126 ( 12.678 -3.626 0.320) 13.190 ======================= Grid point 356 (136/417) ======================= q-point: (-0.19 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( -10.962 0.036 -0.047) 10.962 2.785 ( -2.095 -0.140 -0.172) 2.107 3.145 ( -12.242 0.056 0.320) 12.246 3.380 ( -11.282 0.283 0.003) 11.286 3.651 ( -2.644 0.376 -0.934) 2.829 3.688 ( -3.037 -0.542 0.580) 3.139 4.218 ( -8.157 -0.039 0.313) 8.164 4.314 ( -10.836 -0.032 -0.138) 10.837 4.620 ( 0.396 0.127 0.056) 0.420 4.866 ( 9.256 -0.081 0.178) 9.258 5.172 ( -1.456 -0.325 -0.603) 1.609 5.271 ( 1.088 0.284 0.480) 1.223 15.519 ( 14.814 0.029 -0.495) 14.822 19.301 ( 4.579 0.017 0.496) 4.606 23.478 ( -31.442 -0.001 -0.094) 31.442 25.005 ( 4.418 0.074 0.080) 4.420 26.151 ( 16.472 0.075 -0.231) 16.474 28.631 ( -7.720 -0.044 0.152) 7.722 34.002 ( -1.422 0.047 -0.005) 1.423 34.648 ( 10.378 -0.040 -0.052) 10.378 37.775 ( -7.890 -0.050 -0.043) 7.890 38.089 ( -6.391 0.034 0.090) 6.392 38.815 ( 3.675 0.099 -0.148) 3.680 39.346 ( 14.802 -0.104 0.135) 14.803 ======================= Grid point 357 (137/417) ======================= q-point: (-0.12 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( -14.299 1.905 0.065) 14.425 2.734 ( -4.582 0.872 -0.789) 4.731 2.897 ( -15.433 -2.722 0.556) 15.681 3.149 ( -12.838 -4.399 0.355) 13.575 3.596 ( -5.674 2.798 -1.744) 6.562 3.634 ( -5.252 2.674 1.434) 6.066 4.067 ( -8.578 -1.829 0.358) 8.778 4.126 ( -10.041 -1.986 -0.303) 10.240 4.626 ( 0.701 -1.257 0.102) 1.443 5.006 ( 5.424 -0.073 0.358) 5.436 5.142 ( -1.418 2.692 -1.570) 3.424 5.289 ( -0.628 2.560 1.237) 2.912 15.803 ( 18.049 0.980 -0.939) 18.100 19.405 ( 8.763 -1.813 1.075) 9.012 22.899 ( -29.711 -10.999 -0.124) 31.682 25.141 ( 1.441 15.688 0.197) 15.755 26.353 ( 5.787 2.354 -0.224) 6.252 28.467 ( -9.432 -3.978 0.181) 10.238 34.006 ( 2.215 -0.584 0.000) 2.291 34.826 ( 10.301 0.527 -0.084) 10.315 37.642 ( -5.531 -3.534 -0.129) 6.565 37.982 ( -5.002 -1.726 0.167) 5.294 38.877 ( 1.747 2.716 0.066) 3.230 39.603 ( 14.850 0.705 -0.112) 14.867 ======================= Grid point 358 (138/417) ======================= q-point: (-0.06 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -16.643 4.660 0.479) 17.290 2.586 ( -16.889 -2.520 0.283) 17.078 2.628 ( -10.353 -0.139 -0.855) 10.389 2.914 ( -8.971 -3.355 0.048) 9.578 3.494 ( -11.516 5.738 -1.609) 12.966 3.555 ( -9.741 5.634 1.723) 11.384 3.912 ( -6.810 -2.473 0.296) 7.252 3.952 ( -7.107 -3.043 -0.328) 7.737 4.610 ( -2.083 -0.178 0.156) 2.096 4.979 ( -8.822 4.864 -0.993) 10.122 5.229 ( 7.874 -0.508 -1.445) 8.021 5.315 ( 1.298 1.921 2.386) 3.327 16.122 ( 19.185 -0.024 -1.514) 19.245 19.563 ( 12.775 -3.888 1.801) 13.475 22.305 ( -26.613 -11.977 -0.089) 29.184 25.328 ( -3.786 25.568 0.240) 25.848 26.377 ( -6.024 2.474 -0.184) 6.515 28.243 ( -10.617 -6.875 0.148) 12.649 34.066 ( 6.049 -1.474 -0.048) 6.226 34.996 ( 9.505 -0.132 -0.061) 9.506 37.530 ( -2.686 -4.786 -0.164) 5.491 37.897 ( -2.647 -2.368 0.210) 3.558 38.916 ( -1.236 3.931 0.430) 4.143 39.842 ( 13.024 -0.149 -0.609) 13.039 ======================= Grid point 365 (139/417) ======================= q-point: ( 0.38 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -0.000 18.246 0.166) 18.247 2.341 ( -0.000 13.726 0.258) 13.729 2.494 ( -0.000 11.508 -0.264) 11.511 2.853 ( -0.000 4.765 -0.570) 4.799 3.422 ( -0.000 16.804 -1.496) 16.870 3.650 ( -0.000 16.790 1.983) 16.907 3.768 ( -0.000 1.618 -0.363) 1.658 3.840 ( 0.000 0.292 0.364) 0.467 4.563 ( -0.000 3.527 -0.639) 3.584 5.004 ( -0.000 12.674 -0.872) 12.704 5.265 ( 0.000 -4.617 -0.152) 4.620 5.398 ( 0.000 -3.267 1.661) 3.665 16.275 ( 0.000 -16.089 -2.679) 16.310 19.649 ( 0.000 -16.487 3.002) 16.758 21.816 ( -0.000 14.402 -0.164) 14.403 25.952 ( -0.000 23.563 0.108) 23.563 26.199 ( -0.000 13.737 -0.449) 13.745 27.971 ( -0.000 2.941 0.246) 2.951 34.093 ( 0.000 -8.198 -0.218) 8.201 35.096 ( 0.000 -7.798 0.171) 7.800 37.414 ( 0.000 -2.367 -0.104) 2.369 37.824 ( 0.000 -0.882 0.166) 0.897 38.970 ( -0.000 4.676 0.543) 4.708 39.965 ( 0.000 -8.941 -0.945) 8.991 ======================= Grid point 366 (140/417) ======================= q-point: ( 0.44 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 1.954 16.698 0.094) 16.812 2.531 ( 7.727 11.185 0.241) 13.597 2.640 ( 4.384 9.631 -0.593) 10.599 2.916 ( 2.333 4.925 0.117) 5.451 3.553 ( -0.930 11.765 -1.425) 11.888 3.733 ( -2.802 7.019 0.788) 7.598 3.862 ( 4.983 5.042 0.418) 7.101 3.901 ( 5.846 4.012 0.392) 7.101 4.581 ( 0.423 -0.300 -0.466) 0.697 5.084 ( -1.163 2.992 0.496) 3.248 5.217 ( -2.022 1.301 -1.655) 2.919 5.384 ( -1.593 2.081 1.674) 3.110 16.068 ( -6.067 -14.500 -2.214) 15.873 19.497 ( -0.676 -14.050 2.467) 14.280 22.086 ( 16.060 12.758 -0.191) 20.512 25.895 ( -23.500 18.975 0.140) 30.205 26.404 ( 3.208 8.576 -0.426) 9.166 28.092 ( 11.134 1.781 0.361) 11.281 34.020 ( -0.446 -5.512 -0.149) 5.532 34.995 ( -3.133 -7.521 0.025) 8.147 37.432 ( 4.511 -1.529 -0.113) 4.764 37.843 ( 3.002 -0.075 0.190) 3.008 38.989 ( -2.527 3.273 0.181) 4.139 39.837 ( -4.156 -9.900 -0.350) 10.742 ======================= Grid point 367 (141/417) ======================= q-point: ( 0.50 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 3.239 13.851 0.088) 14.225 2.768 ( 2.037 7.300 -1.091) 7.657 2.805 ( 10.955 8.367 0.264) 13.787 3.055 ( 9.125 4.441 0.981) 10.196 3.616 ( -1.522 6.912 -1.187) 7.176 3.748 ( -1.853 4.341 0.205) 4.724 4.015 ( 7.781 4.825 0.662) 9.180 4.073 ( 7.399 6.191 -0.011) 9.647 4.575 ( 0.918 -2.678 -0.046) 2.832 5.013 ( -2.979 -7.553 0.544) 8.138 5.230 ( -3.570 8.729 -1.636) 9.572 5.377 ( -3.129 3.387 1.317) 4.795 15.798 ( -9.473 -12.418 -1.618) 15.702 19.374 ( -0.343 -10.254 1.772) 10.411 22.577 ( 27.467 11.693 -0.203) 29.853 25.626 ( -26.812 14.611 0.254) 30.536 26.412 ( -6.215 -0.725 -0.475) 6.276 28.336 ( 13.651 2.806 0.354) 13.941 33.978 ( 0.349 -2.603 -0.048) 2.627 34.848 ( -5.606 -7.226 -0.090) 9.146 37.532 ( 8.054 0.179 -0.124) 8.057 37.923 ( 5.571 1.386 0.197) 5.744 38.949 ( -4.920 1.521 -0.056) 5.150 39.637 ( -7.679 -10.117 0.002) 12.702 ======================= Grid point 368 (142/417) ======================= q-point: ( 0.56 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 3.980 10.242 0.123) 10.989 2.809 ( -1.575 3.572 -0.718) 3.970 3.085 ( 12.023 6.713 0.398) 13.776 3.280 ( 11.521 3.543 0.686) 12.073 3.645 ( -0.897 4.040 -0.776) 4.210 3.754 ( -2.042 3.431 -0.324) 4.006 4.206 ( 7.864 5.785 1.092) 9.823 4.263 ( 8.187 6.407 -0.674) 10.418 4.572 ( 2.545 -3.100 0.374) 4.028 4.873 ( -4.396 -7.854 0.100) 9.001 5.228 ( -4.866 5.592 -1.141) 7.500 5.341 ( -4.566 1.588 0.947) 4.926 15.523 ( -9.492 -9.811 -1.012) 13.689 19.297 ( 0.146 -5.971 1.066) 6.067 23.207 ( 33.040 12.028 -0.174) 35.162 25.311 ( -24.413 10.617 0.265) 26.623 26.197 ( -12.617 -9.871 -0.422) 16.025 28.571 ( 10.138 3.417 0.265) 10.702 33.985 ( 1.901 0.152 0.036) 1.907 34.672 ( -6.932 -6.903 -0.146) 9.784 37.696 ( 9.688 2.463 -0.116) 9.997 38.050 ( 6.595 2.988 0.184) 7.243 38.859 ( -6.101 -0.381 -0.185) 6.116 39.393 ( -9.623 -9.663 0.163) 13.639 ======================= Grid point 369 (143/417) ======================= q-point: ( 0.62 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 3.840 6.752 0.285) 7.773 2.796 ( -1.779 0.200 -0.429) 1.841 3.318 ( 8.166 5.172 0.452) 9.676 3.484 ( 8.437 2.703 -0.040) 8.860 3.668 ( 0.740 1.450 -0.070) 1.630 3.745 ( -2.568 2.947 -0.688) 3.969 4.368 ( 4.264 5.538 0.875) 7.044 4.470 ( 8.097 7.336 -0.358) 10.932 4.619 ( 5.375 -0.746 0.392) 5.441 4.721 ( -4.913 -7.003 -0.203) 8.557 5.172 ( -5.131 1.096 -0.762) 5.301 5.258 ( -5.135 -1.938 0.612) 5.522 15.303 ( -6.579 -6.659 -0.504) 9.374 19.262 ( 0.161 -2.300 0.491) 2.357 23.895 ( 32.604 14.771 -0.104) 35.794 25.041 ( -17.638 7.853 0.204) 19.308 25.807 ( -16.791 -18.707 -0.330) 25.139 28.735 ( 5.410 3.199 0.157) 6.286 34.045 ( 3.529 2.666 0.071) 4.424 34.488 ( -6.942 -6.661 -0.138) 9.622 37.894 ( 9.104 5.055 -0.077) 10.414 38.184 ( 4.687 3.413 0.154) 5.800 38.754 ( -4.307 -1.461 -0.261) 4.556 39.139 ( -9.537 -9.044 0.226) 13.145 ======================= Grid point 370 (144/417) ======================= q-point: ( 0.69 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 1.276 4.800 0.836) 5.037 2.758 ( -0.413 -2.954 -0.784) 3.084 3.443 ( 1.214 3.422 0.385) 3.651 3.608 ( 3.521 2.768 -0.979) 4.585 3.698 ( 2.122 -1.172 0.654) 2.511 3.724 ( -2.289 1.790 -0.409) 2.935 4.468 ( 1.640 4.791 0.885) 5.141 4.575 ( -2.856 -5.750 -0.428) 6.434 4.651 ( 3.255 5.526 -0.104) 6.414 4.713 ( 2.161 3.570 0.056) 4.173 5.100 ( -1.513 -1.635 -0.270) 2.244 5.150 ( -2.494 -5.301 0.198) 5.862 15.183 ( -1.629 -3.182 -0.181) 3.580 19.252 ( -0.253 -0.223 0.146) 0.367 24.540 ( 15.333 27.223 0.065) 31.244 24.913 ( 0.862 0.807 0.064) 1.182 25.291 ( -16.068 -28.268 -0.271) 32.517 28.815 ( 1.087 2.076 0.074) 2.345 34.149 ( 3.375 5.759 0.053) 6.675 34.319 ( -4.307 -7.454 -0.084) 8.610 38.081 ( 4.540 8.195 0.013) 9.369 38.230 ( -0.890 -1.778 0.040) 1.989 38.732 ( 1.975 2.466 -0.351) 3.179 38.914 ( -5.871 -9.223 0.325) 10.938 ======================= Grid point 371 (145/417) ======================= q-point: (-0.25 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( -4.561 -0.477 0.223) 4.591 2.777 ( 2.500 0.386 -0.198) 2.537 3.429 ( -4.475 -0.211 0.225) 4.486 3.641 ( -3.300 1.117 -0.519) 3.522 3.692 ( -0.790 0.465 -0.102) 0.922 3.723 ( 1.280 -1.078 0.204) 1.686 4.440 ( -5.438 -0.410 0.377) 5.466 4.587 ( 5.225 0.088 -0.135) 5.227 4.655 ( -5.592 0.018 -0.070) 5.593 4.710 ( -4.550 0.072 0.056) 4.551 5.110 ( 2.901 -0.376 -0.161) 2.930 5.142 ( 5.335 0.375 0.123) 5.350 15.190 ( 4.206 0.098 -0.098) 4.209 19.247 ( -0.232 -0.058 0.079) 0.251 24.537 ( -30.922 -0.179 0.033) 30.922 24.910 ( -1.255 0.184 0.035) 1.269 25.301 ( 32.748 0.118 -0.145) 32.749 28.812 ( -2.581 -0.052 0.040) 2.582 34.147 ( -6.676 0.024 0.028) 6.676 34.322 ( 8.713 -0.002 -0.046) 8.713 38.081 ( -9.281 -0.090 0.006) 9.281 38.229 ( 1.736 0.065 0.023) 1.737 38.745 ( -3.080 0.299 -0.221) 3.103 38.902 ( 10.961 -0.297 0.207) 10.967 ======================= Grid point 372 (146/417) ======================= q-point: (-0.19 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( -6.720 -0.377 -0.048) 6.731 2.809 ( 0.074 1.629 -0.158) 1.638 3.299 ( -8.310 -4.036 0.297) 9.243 3.515 ( -7.982 -5.920 0.396) 9.946 3.693 ( -1.172 1.875 0.389) 2.245 3.732 ( -0.916 2.191 -1.093) 2.615 4.336 ( -6.634 -1.330 0.319) 6.774 4.480 ( -10.245 -2.989 -0.122) 10.673 4.613 ( -1.741 -4.822 0.239) 5.132 4.721 ( 7.640 0.389 -0.084) 7.650 5.179 ( 2.283 3.674 -0.719) 4.385 5.254 ( 3.668 4.624 0.609) 5.933 15.321 ( 9.703 2.490 -0.269) 10.021 19.247 ( 1.239 -1.245 0.297) 1.781 23.897 ( -28.805 -20.830 -0.082) 35.547 25.039 ( 1.949 19.305 0.180) 19.404 25.822 ( 24.701 5.554 -0.136) 25.318 28.727 ( -5.670 -3.235 0.062) 6.528 34.045 ( -4.019 -1.509 0.078) 4.294 34.490 ( 9.244 2.508 -0.109) 9.578 37.893 ( -8.811 -5.555 -0.091) 10.417 38.182 ( -5.431 -2.155 0.126) 5.845 38.769 ( 3.270 3.267 -0.081) 4.623 39.125 ( 12.727 3.389 0.054) 13.171 ======================= Grid point 373 (147/417) ======================= q-point: (-0.12 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -9.688 1.860 0.047) 9.865 2.809 ( -2.551 2.622 -0.685) 3.722 3.082 ( -11.464 -6.055 0.470) 12.974 3.283 ( -10.457 -8.791 0.641) 13.677 3.687 ( -2.415 3.083 -0.242) 3.923 3.730 ( -2.388 3.550 -0.534) 4.312 4.185 ( -8.271 -3.443 0.630) 8.982 4.266 ( -10.173 -4.824 -0.519) 11.271 4.579 ( 1.844 -3.124 0.424) 3.652 4.860 ( 8.704 -0.507 -0.002) 8.719 5.231 ( -1.682 5.905 -1.119) 6.241 5.339 ( 0.194 5.686 0.941) 5.766 15.550 ( 13.842 3.292 -0.667) 14.243 19.273 ( 4.363 -2.901 0.770) 5.296 23.213 ( -26.779 -22.465 -0.099) 34.954 25.311 ( 3.042 26.567 0.262) 26.742 26.216 ( 14.867 6.329 -0.187) 16.159 28.560 ( -8.156 -7.221 0.125) 10.894 33.989 ( -1.011 -1.379 0.087) 1.713 34.672 ( 9.358 2.365 -0.156) 9.654 37.695 ( -6.896 -7.272 -0.132) 10.023 38.048 ( -5.953 -4.114 0.161) 7.238 38.874 ( 3.201 5.390 -0.006) 6.269 39.379 ( 13.387 3.132 -0.019) 13.748 ======================= Grid point 374 (148/417) ======================= q-point: (-0.06 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( -12.701 4.863 0.281) 13.603 2.759 ( -6.623 1.532 -1.251) 6.912 2.816 ( -13.043 -4.689 0.491) 13.869 3.028 ( -9.654 -6.695 0.643) 11.766 3.669 ( -4.266 4.809 -1.086) 6.520 3.719 ( -3.763 4.690 0.575) 6.040 4.011 ( -8.156 -3.711 0.858) 9.001 4.054 ( -8.984 -4.825 -0.622) 10.217 4.594 ( 2.075 -1.687 0.149) 2.678 4.994 ( 7.982 -1.411 0.385) 8.115 5.232 ( -4.795 6.465 -1.627) 8.212 5.375 ( -2.337 5.226 1.303) 5.871 15.829 ( 16.001 1.867 -1.221) 16.156 19.346 ( 8.350 -4.517 1.420) 9.599 22.586 ( -23.829 -17.768 -0.096) 29.724 25.629 ( 0.813 30.725 0.298) 30.737 26.431 ( 3.703 5.274 -0.228) 6.448 28.322 ( -9.300 -10.602 0.189) 14.104 33.985 ( 2.123 -1.470 0.037) 2.583 34.843 ( 8.915 1.086 -0.154) 8.982 37.531 ( -4.144 -6.926 -0.142) 8.072 37.922 ( -3.974 -4.095 0.184) 5.710 38.963 ( 0.916 5.343 0.123) 5.422 39.624 ( 12.927 1.192 -0.178) 12.983 ======================= Grid point 382 (149/417) ======================= q-point: ( 0.44 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -0.000 15.742 0.152) 15.743 2.561 ( -0.000 8.876 0.259) 8.880 2.684 ( -0.000 8.116 -0.256) 8.120 2.948 ( -0.000 4.814 -0.249) 4.821 3.670 ( -0.000 9.716 -1.210) 9.791 3.796 ( -0.000 1.439 -0.484) 1.518 3.846 ( 0.000 0.131 0.492) 0.509 3.909 ( -0.000 9.135 1.295) 9.226 4.565 ( 0.000 -2.023 -0.241) 2.038 5.065 ( 0.000 -6.672 0.623) 6.701 5.298 ( -0.000 9.703 -1.779) 9.865 5.436 ( -0.000 4.605 1.505) 4.845 15.987 ( 0.000 -12.344 -1.798) 12.474 19.375 ( 0.000 -12.511 1.988) 12.668 22.058 ( -0.000 10.349 -0.140) 10.350 26.356 ( -0.000 17.535 0.095) 17.535 26.400 ( -0.000 7.437 -0.236) 7.441 27.982 ( 0.000 -1.105 0.288) 1.142 33.975 ( 0.000 -4.167 -0.078) 4.168 34.954 ( 0.000 -6.524 -0.061) 6.524 37.374 ( 0.000 -1.625 -0.095) 1.628 37.813 ( 0.000 -0.286 0.168) 0.332 39.044 ( -0.000 3.012 0.043) 3.013 39.779 ( 0.000 -9.317 -0.126) 9.318 ======================= Grid point 383 (150/417) ======================= q-point: ( 0.50 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 0.761 12.944 0.235) 12.968 2.703 ( 7.604 6.480 0.228) 9.993 2.798 ( 4.156 6.900 -0.689) 8.084 2.996 ( 1.605 2.797 0.327) 3.241 3.711 ( -2.826 5.312 -0.733) 6.061 3.802 ( -0.762 2.024 -0.434) 2.206 3.923 ( 7.107 2.396 0.325) 7.507 4.021 ( 4.638 4.698 0.649) 6.634 4.543 ( -0.024 -2.402 0.142) 2.406 4.982 ( -1.778 -7.031 0.167) 7.254 5.366 ( -2.429 8.461 -1.335) 8.903 5.468 ( -2.213 4.603 1.218) 5.251 15.823 ( -6.083 -9.714 -1.252) 11.529 19.275 ( 0.619 -9.415 1.389) 9.537 22.289 ( 16.551 8.035 -0.101) 18.399 26.209 ( -23.146 13.212 0.228) 26.653 26.510 ( -3.959 2.653 -0.263) 4.773 28.105 ( 13.918 -0.078 0.215) 13.920 33.945 ( 0.481 -2.379 0.003) 2.427 34.866 ( -3.539 -5.484 -0.122) 6.528 37.408 ( 5.485 -0.889 -0.087) 5.557 37.846 ( 3.962 0.225 0.142) 3.971 39.041 ( -3.364 2.187 -0.036) 4.013 39.655 ( -4.595 -8.239 0.001) 9.433 ======================= Grid point 384 (151/417) ======================= q-point: ( 0.56 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( 1.650 8.657 0.183) 8.814 2.882 ( -1.438 4.968 -1.019) 5.271 2.928 ( 11.659 4.141 0.170) 12.374 3.108 ( 10.456 0.592 0.973) 10.518 3.705 ( -2.129 2.708 -0.226) 3.453 3.808 ( -1.062 2.295 -0.621) 2.604 4.100 ( 9.732 3.727 0.528) 10.435 4.162 ( 8.326 2.337 -0.149) 8.649 4.522 ( 0.221 -2.092 0.438) 2.149 4.874 ( -3.579 -5.751 -0.143) 6.775 5.369 ( -4.977 5.395 -0.998) 7.408 5.449 ( -4.741 2.837 0.929) 5.602 15.605 ( -9.522 -6.691 -0.679) 11.657 19.223 ( 1.631 -5.604 0.774) 5.888 22.748 ( 29.282 5.895 -0.061) 29.869 25.887 ( -28.396 11.829 0.295) 30.763 26.345 ( -12.932 -5.453 -0.244) 14.036 28.374 ( 15.555 1.196 0.118) 15.601 33.949 ( 1.801 -0.636 0.065) 1.911 34.733 ( -6.396 -4.324 -0.135) 7.722 37.536 ( 9.869 0.179 -0.082) 9.870 37.948 ( 7.182 0.968 0.109) 7.247 38.974 ( -6.373 1.089 -0.034) 6.466 39.472 ( -8.437 -6.473 0.016) 10.634 ======================= Grid point 385 (152/417) ======================= q-point: ( 0.62 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 2.848 4.105 -0.047) 4.996 2.855 ( -3.984 1.350 -0.286) 4.216 3.170 ( 12.530 2.030 0.074) 12.693 3.318 ( 12.373 0.513 0.565) 12.396 3.694 ( -1.467 1.222 0.158) 1.916 3.804 ( -1.689 1.694 -0.577) 2.461 4.297 ( 9.145 2.656 0.548) 9.539 4.357 ( 11.645 3.182 -0.657) 12.090 4.518 ( 2.045 -2.213 0.524) 3.058 4.754 ( -5.157 -3.682 -0.251) 6.342 5.301 ( -7.082 2.239 -0.691) 7.460 5.366 ( -7.115 0.493 0.648) 7.162 15.391 ( -9.479 -3.343 -0.188) 10.053 19.220 ( 2.047 -2.177 0.253) 2.999 23.359 ( 36.976 3.808 -0.023) 37.172 25.527 ( -25.806 9.428 0.183) 27.475 25.991 ( -20.077 -9.157 -0.058) 22.066 28.615 ( 11.258 1.071 0.009) 11.309 33.995 ( 3.670 0.504 0.081) 3.706 34.574 ( -8.133 -2.767 -0.095) 8.591 37.730 ( 12.243 0.959 -0.072) 12.281 38.094 ( 8.269 1.208 0.075) 8.357 38.857 ( -7.759 0.142 0.038) 7.761 39.255 ( -10.920 -4.014 -0.056) 11.634 ======================= Grid point 386 (153/417) ======================= q-point: (-0.31 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 3.834 -0.222 -0.442) 3.866 2.794 ( -3.725 0.252 0.324) 3.747 3.365 ( 9.000 -0.193 -0.340) 9.008 3.509 ( 9.418 0.063 0.649) 9.440 3.681 ( -0.640 0.040 0.402) 0.757 3.779 ( -2.357 0.280 -0.336) 2.397 4.433 ( 4.745 -0.503 -0.449) 4.793 4.570 ( 7.097 0.835 0.015) 7.146 4.588 ( 11.485 -0.912 0.081) 11.522 4.638 ( -6.075 0.278 0.045) 6.082 5.186 ( -7.346 0.415 -0.258) 7.362 5.233 ( -8.206 -0.362 0.270) 8.218 15.238 ( -6.496 0.174 0.141) 6.500 19.240 ( 1.292 -0.163 -0.088) 1.305 24.032 ( 39.787 0.031 -0.018) 39.787 25.216 ( -17.662 -0.192 -0.031) 17.663 25.532 ( -26.514 0.251 0.225) 26.517 28.765 ( 5.998 -0.058 -0.074) 5.999 34.078 ( 5.657 -0.040 0.029) 5.657 34.416 ( -8.741 0.065 0.000) 8.741 37.947 ( 12.256 0.027 -0.052) 12.256 38.217 ( 4.378 -0.062 0.020) 4.379 38.746 ( -4.232 0.142 0.206) 4.239 39.040 ( -11.660 -0.124 -0.206) 11.663 ======================= Grid point 387 (154/417) ======================= q-point: (-0.25 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( 1.031 -4.701 -0.822) 4.883 2.768 ( -0.218 2.804 0.756) 2.913 3.437 ( 1.341 -3.819 -0.542) 4.084 3.623 ( 4.038 -2.007 1.266) 4.684 3.692 ( 1.811 0.692 -0.234) 1.952 3.727 ( -2.624 -1.225 0.005) 2.896 4.455 ( 1.505 -5.028 -1.111) 5.364 4.581 ( -2.587 5.251 0.472) 5.873 4.652 ( 3.110 -5.250 0.156) 6.104 4.712 ( 2.279 -3.649 -0.104) 4.304 5.104 ( -1.910 1.732 0.391) 2.608 5.147 ( -2.147 5.289 -0.290) 5.715 15.186 ( -1.702 3.459 0.256) 3.863 19.250 ( -0.171 -0.006 -0.207) 0.268 24.539 ( 15.144 -27.169 -0.089) 31.105 24.912 ( 1.011 -0.785 -0.091) 1.284 25.295 ( -16.040 28.401 0.382) 32.619 28.814 ( 1.104 -2.186 -0.105) 2.452 34.148 ( 3.391 -5.750 -0.074) 6.676 34.321 ( -4.331 7.492 0.120) 8.655 38.081 ( 4.461 -8.197 -0.018) 9.333 38.230 ( -0.793 1.710 -0.057) 1.885 38.737 ( 2.161 -2.313 0.526) 3.209 38.909 ( -6.074 9.101 -0.490) 10.953 ======================= Grid point 388 (155/417) ======================= q-point: (-0.19 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( -1.872 -3.012 -0.350) 3.564 2.814 ( 1.638 2.524 0.236) 3.018 3.350 ( -4.361 -7.199 -0.097) 8.417 3.550 ( -5.068 -8.772 0.470) 10.141 3.722 ( 0.387 1.787 1.435) 2.324 3.740 ( 1.927 1.493 -1.449) 2.836 4.401 ( -2.654 -3.749 -0.394) 4.610 4.578 ( -2.083 -8.899 0.397) 9.148 4.583 ( -6.557 -5.883 -0.400) 8.819 4.644 ( 2.147 3.303 0.104) 3.941 5.172 ( 3.677 5.850 -0.132) 6.911 5.247 ( 4.142 7.583 0.143) 8.641 15.249 ( 3.577 5.846 0.141) 6.855 19.233 ( -0.876 -1.190 -0.088) 1.480 24.031 ( -19.710 -34.200 -0.018) 39.473 25.214 ( 8.617 15.287 -0.026) 17.548 25.549 ( 13.679 23.212 0.220) 26.943 28.760 ( -3.164 -5.364 -0.074) 6.228 34.081 ( -2.769 -4.716 0.030) 5.468 34.415 ( 4.369 7.436 -0.001) 8.625 37.943 ( -6.116 -10.645 -0.051) 12.277 38.219 ( -2.250 -3.774 0.019) 4.394 38.763 ( 2.291 3.653 0.228) 4.318 39.024 ( 5.635 10.040 -0.229) 11.515 ======================= Grid point 389 (156/417) ======================= q-point: (-0.12 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( -3.906 -0.124 -0.075) 3.908 2.860 ( 0.157 3.354 -0.288) 3.370 3.170 ( -7.547 -8.661 0.218) 11.490 3.338 ( -7.918 -11.285 0.458) 13.793 3.742 ( -0.779 2.401 1.101) 2.753 3.773 ( 0.354 1.961 -1.545) 2.522 4.272 ( -6.645 -5.657 0.383) 8.735 4.358 ( -8.510 -9.141 -0.489) 12.499 4.525 ( 0.909 -2.373 0.532) 2.597 4.741 ( 5.370 1.886 -0.239) 5.697 5.287 ( 2.104 6.552 -0.454) 6.896 5.381 ( 2.647 7.054 0.404) 7.545 15.411 ( 8.102 6.544 -0.187) 10.417 19.207 ( 0.388 -2.718 0.253) 2.757 23.363 ( -21.573 -29.890 -0.023) 36.862 25.524 ( 4.939 26.900 0.175) 27.350 26.015 ( 17.906 13.288 -0.051) 22.297 28.604 ( -6.726 -9.354 0.009) 11.521 34.000 ( -2.234 -2.739 0.082) 3.536 34.573 ( 6.453 5.478 -0.096) 8.465 37.727 ( -6.868 -10.136 -0.071) 12.244 38.094 ( -5.289 -6.543 0.074) 8.414 38.876 ( 3.745 6.921 0.041) 7.870 39.235 ( 8.939 7.243 -0.058) 11.505 ======================= Grid point 390 (157/417) ======================= q-point: (-0.06 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( -6.748 3.349 0.122) 7.534 2.868 ( -3.779 2.938 -1.000) 4.890 2.948 ( -9.157 -6.730 0.170) 11.366 3.096 ( -7.625 -9.828 0.933) 12.475 3.750 ( -1.470 3.146 0.262) 3.482 3.787 ( -0.666 2.408 -1.052) 2.711 4.103 ( -7.058 -4.909 1.212) 8.682 4.137 ( -7.766 -7.479 -0.838) 10.814 4.540 ( 2.149 -1.030 0.440) 2.423 4.851 ( 6.759 -0.285 -0.115) 6.766 5.354 ( -1.664 6.418 -0.703) 6.668 5.464 ( -0.658 6.098 0.617) 6.164 15.630 ( 10.973 4.803 -0.678) 11.998 19.206 ( 3.511 -3.976 0.774) 5.360 22.757 ( -19.636 -22.198 -0.061) 29.637 25.889 ( 4.242 30.603 0.285) 30.897 26.369 ( 10.995 8.742 -0.236) 14.049 28.360 ( -8.936 -13.034 0.119) 15.804 33.957 ( -0.317 -1.746 0.066) 1.776 34.728 ( 6.867 3.229 -0.137) 7.589 37.533 ( -5.033 -8.437 -0.081) 9.825 37.947 ( -4.470 -5.761 0.108) 7.293 38.994 ( 2.143 6.266 -0.038) 6.623 39.450 ( 9.953 3.805 0.020) 10.656 ======================= Grid point 399 (158/417) ======================= q-point: ( 0.50 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( -0.000 10.248 0.326) 10.253 2.689 ( -0.000 4.281 0.275) 4.290 2.803 ( -0.000 4.231 -0.277) 4.240 3.021 ( -0.000 2.501 -0.301) 2.519 3.806 ( -0.000 5.083 -0.742) 5.136 3.818 ( -0.000 1.044 -0.543) 1.176 3.848 ( 0.000 -0.149 0.559) 0.578 4.015 ( -0.000 1.717 0.653) 1.837 4.526 ( 0.000 -1.313 0.317) 1.351 4.937 ( 0.000 -5.305 -0.137) 5.307 5.457 ( -0.000 6.228 -1.061) 6.317 5.532 ( -0.000 3.845 1.019) 3.978 15.795 ( 0.000 -6.635 -0.767) 6.680 19.190 ( 0.000 -6.902 0.889) 6.959 22.211 ( -0.000 5.373 -0.005) 5.373 26.499 ( -0.000 3.113 0.099) 3.115 26.619 ( -0.000 9.295 0.056) 9.295 27.953 ( 0.000 -1.512 0.050) 1.513 33.921 ( 0.000 -1.579 0.055) 1.580 34.852 ( 0.000 -3.760 -0.136) 3.762 37.350 ( 0.000 -0.796 -0.060) 0.798 37.812 ( 0.000 -0.028 0.088) 0.093 39.091 ( -0.000 1.863 0.012) 1.863 39.624 ( 0.000 -6.087 -0.039) 6.088 ======================= Grid point 400 (159/417) ======================= q-point: ( 0.56 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( -0.304 5.225 0.243) 5.239 2.786 ( 7.510 2.068 0.267) 7.794 2.900 ( 6.614 3.662 -0.623) 7.586 3.018 ( -1.452 -0.450 0.194) 1.532 3.766 ( -3.237 1.015 0.151) 3.396 3.834 ( -0.215 1.383 -0.557) 1.506 3.967 ( 8.975 1.841 0.084) 9.162 4.058 ( 4.418 -0.393 0.303) 4.446 4.515 ( -0.397 -0.570 0.308) 0.760 4.879 ( -2.019 -2.933 -0.312) 3.575 5.478 ( -2.863 3.239 -0.778) 4.393 5.539 ( -2.756 1.841 0.764) 3.402 15.692 ( -6.103 -3.274 -0.239) 6.930 19.152 ( 1.359 -3.488 0.355) 3.760 22.394 ( 16.740 2.748 0.070) 16.964 26.410 ( -17.250 7.474 0.393) 18.803 26.510 ( -13.700 -2.399 -0.127) 13.909 28.101 ( 15.879 -0.177 -0.064) 15.881 33.919 ( 1.014 -0.598 0.094) 1.181 34.791 ( -3.844 -2.010 -0.117) 4.340 37.396 ( 6.006 -0.273 -0.044) 6.013 37.851 ( 4.519 0.113 0.037) 4.521 39.073 ( -3.794 0.984 0.114) 3.921 39.537 ( -4.782 -3.359 -0.142) 5.846 ======================= Grid point 401 (160/417) ======================= q-point: (-0.38 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 0.970 -0.063 -0.094) 0.977 2.939 ( -3.652 0.471 -0.016) 3.683 2.968 ( 11.048 -0.026 -0.018) 11.049 3.104 ( 12.506 -0.496 0.191) 12.517 3.730 ( -2.004 0.066 0.460) 2.057 3.833 ( -0.857 0.299 -0.231) 0.936 4.158 ( 8.639 -1.850 -0.214) 8.838 4.160 ( 11.414 1.683 0.090) 11.538 4.504 ( -0.461 -0.189 0.106) 0.509 4.814 ( -3.919 0.065 -0.307) 3.932 5.422 ( -5.504 0.339 -0.441) 5.532 5.478 ( -5.451 -0.322 0.450) 5.479 15.541 ( -9.562 0.240 0.234) 9.568 19.167 ( 2.381 -0.257 -0.123) 2.398 22.805 ( 29.767 0.032 0.116) 29.767 26.034 ( -28.330 -0.192 -0.053) 28.331 26.259 ( -15.661 0.211 0.392) 15.667 28.385 ( 16.224 -0.056 -0.163) 16.225 33.945 ( 2.387 -0.017 0.099) 2.389 34.689 ( -6.776 0.044 -0.060) 6.777 37.537 ( 10.513 0.023 -0.034) 10.513 37.958 ( 7.807 -0.036 -0.006) 7.807 38.987 ( -6.864 0.053 0.250) 6.869 39.404 ( -8.737 -0.051 -0.279) 8.742 ======================= Grid point 402 (161/417) ======================= q-point: (-0.31 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( 2.763 -4.152 -0.394) 5.003 2.859 ( -4.039 -1.024 0.354) 4.182 3.168 ( 12.393 -2.193 -0.209) 12.587 3.316 ( 12.645 -0.895 0.198) 12.678 3.697 ( -1.470 -1.015 0.703) 1.919 3.807 ( -1.701 -1.298 0.015) 2.140 4.289 ( 9.054 -3.270 -0.814) 9.660 4.363 ( 11.824 -2.781 0.360) 12.152 4.513 ( 1.854 1.921 -0.241) 2.681 4.754 ( -5.062 3.745 -0.118) 6.298 5.307 ( -7.041 -1.610 0.064) 7.223 5.362 ( -7.136 -1.059 -0.006) 7.214 15.396 ( -9.528 3.764 0.570) 10.261 19.215 ( 2.105 1.738 -0.468) 2.770 23.360 ( 36.963 -3.733 0.122) 37.151 25.524 ( -25.793 -9.543 -0.189) 27.502 25.995 ( -20.088 9.333 0.575) 22.158 28.613 ( 11.268 -1.184 -0.240) 11.332 33.995 ( 3.651 -0.540 0.055) 3.691 34.575 ( -8.115 2.852 0.032) 8.602 37.731 ( 12.244 -0.906 -0.021) 12.278 38.093 ( 8.258 -1.294 -0.052) 8.359 38.860 ( -7.727 -0.034 0.385) 7.736 39.253 ( -10.942 3.915 -0.399) 11.628 ======================= Grid point 403 (162/417) ======================= q-point: (-0.25 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 3.627 -6.569 -0.481) 7.519 2.803 ( -1.698 -0.220 0.508) 1.786 3.310 ( 7.933 -5.336 -0.795) 9.593 3.489 ( 9.189 -2.811 0.799) 9.642 3.673 ( 0.249 -1.269 0.608) 1.429 3.750 ( -2.454 -2.870 0.147) 3.779 4.355 ( 4.253 -5.631 -1.195) 7.157 4.475 ( 7.778 -7.268 0.396) 10.652 4.614 ( 5.517 0.765 -0.316) 5.579 4.723 ( -4.770 6.742 0.049) 8.259 5.181 ( -5.200 -0.809 0.693) 5.308 5.250 ( -5.032 1.741 -0.525) 5.351 15.311 ( -6.698 7.015 0.718) 9.726 19.255 ( 0.301 1.936 -0.637) 2.060 23.896 ( 32.556 -14.683 0.100) 35.714 25.038 ( -17.595 -7.865 -0.151) 19.273 25.813 ( -16.811 18.787 0.538) 25.216 28.732 ( 5.435 -3.304 -0.266) 6.366 34.044 ( 3.504 -2.661 -0.026) 4.400 34.490 ( -6.925 6.696 0.133) 9.634 37.894 ( 9.091 -5.009 0.020) 10.380 38.182 ( 4.674 -3.486 -0.142) 5.832 38.759 ( -4.208 1.503 0.502) 4.497 39.135 ( -9.609 9.007 -0.467) 13.179 ======================= Grid point 404 (163/417) ======================= q-point: (-0.19 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 2.932 -6.162 -0.319) 6.832 2.805 ( 1.462 0.802 0.437) 1.724 3.305 ( 0.372 -9.225 -0.586) 9.251 3.515 ( -0.669 -9.332 0.290) 9.360 3.694 ( 3.063 -0.691 0.259) 3.150 3.720 ( 1.532 0.590 0.603) 1.749 4.345 ( 1.984 -6.421 -1.018) 6.797 4.477 ( 2.432 -10.623 0.358) 10.904 4.617 ( -3.131 -3.665 -0.395) 4.836 4.720 ( -3.681 6.878 0.101) 7.802 5.170 ( 2.280 3.615 0.676) 4.327 5.261 ( 2.008 5.662 -0.500) 6.028 15.315 ( -2.440 9.427 0.661) 9.761 19.253 ( -1.920 0.708 -0.610) 2.135 23.895 ( -3.598 -35.414 0.110) 35.596 25.042 ( 15.778 11.389 -0.191) 19.460 25.818 ( -7.423 24.149 0.470) 25.269 28.729 ( -0.064 -6.483 -0.230) 6.487 34.046 ( 0.722 -4.236 -0.053) 4.297 34.489 ( -2.432 9.241 0.147) 9.557 37.892 ( -0.406 -10.447 0.052) 10.455 38.184 ( 0.808 -5.755 -0.159) 5.813 38.766 ( 1.344 4.550 0.430) 4.764 39.128 ( -3.570 12.645 -0.392) 13.145 ======================= Grid point 405 (164/417) ======================= q-point: (-0.12 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( 1.817 -3.429 -0.123) 3.883 2.858 ( 2.936 1.653 0.307) 3.384 3.171 ( -3.820 -10.835 -0.121) 11.490 3.340 ( -5.929 -12.350 -0.243) 13.702 3.746 ( 2.687 0.370 -0.010) 2.712 3.765 ( 1.580 1.309 0.613) 2.141 4.275 ( -1.811 -8.384 -0.720) 8.608 4.355 ( -3.486 -12.032 0.528) 12.538 4.528 ( -2.681 -0.389 -0.394) 2.737 4.740 ( -1.027 5.592 0.060) 5.686 5.285 ( 4.813 5.005 0.271) 6.949 5.383 ( 4.631 5.901 -0.213) 7.504 15.409 ( 1.790 10.169 0.410) 10.334 19.209 ( -2.723 -0.891 -0.391) 2.892 23.363 ( -15.064 -33.642 0.079) 36.861 25.525 ( 20.764 17.769 -0.195) 27.329 26.014 ( 2.655 22.105 0.338) 22.267 28.605 ( -4.790 -10.476 -0.136) 11.519 34.000 ( -1.272 -3.298 -0.014) 3.535 34.572 ( 1.556 8.308 0.069) 8.453 37.727 ( -5.321 -11.027 0.027) 12.243 38.094 ( -3.062 -7.837 -0.068) 8.415 38.876 ( 4.190 6.692 0.204) 7.898 39.236 ( 1.739 11.376 -0.201) 11.510 ======================= Grid point 406 (165/417) ======================= q-point: (-0.06 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 0.094 0.162 -0.000) 0.188 2.918 ( 0.804 1.392 -0.000) 1.608 2.994 ( -4.617 -7.997 0.000) 9.234 3.108 ( -6.869 -11.897 -0.000) 13.738 3.785 ( 0.880 1.525 -0.000) 1.761 3.795 ( 0.615 1.065 0.000) 1.230 4.143 ( -4.026 -6.974 -0.000) 8.053 4.164 ( -5.690 -9.856 -0.000) 11.381 4.516 ( 0.349 0.605 0.000) 0.698 4.788 ( 1.693 2.933 -0.000) 3.386 5.399 ( 2.679 4.640 -0.000) 5.358 5.502 ( 2.792 4.836 -0.000) 5.584 15.559 ( 4.828 8.362 -0.000) 9.655 19.158 ( -1.199 -2.077 -0.000) 2.399 22.814 ( -14.751 -25.549 0.000) 29.502 26.031 ( 14.189 24.575 -0.000) 28.377 26.289 ( 7.979 13.820 -0.000) 15.958 28.372 ( -8.212 -14.224 -0.000) 16.424 33.952 ( -1.137 -1.969 -0.000) 2.274 34.685 ( 3.319 5.749 -0.000) 6.638 37.535 ( -5.222 -9.045 -0.000) 10.444 37.957 ( -3.943 -6.829 -0.000) 7.885 39.008 ( 3.485 6.037 -0.000) 6.971 39.382 ( 4.295 7.440 -0.000) 8.591 ======================= Grid point 417 (166/417) ======================= q-point: (-0.44 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( 0.000 -0.041 0.380) 0.382 2.731 ( 0.000 -0.063 0.266) 0.273 2.844 ( -0.000 0.062 -0.277) 0.284 3.042 ( -0.000 0.016 -0.390) 0.390 3.831 ( -0.000 0.387 -0.351) 0.522 3.845 ( 0.000 -0.389 0.373) 0.539 3.863 ( 0.000 0.481 0.410) 0.632 4.017 ( 0.000 -0.408 -0.144) 0.433 4.517 ( 0.000 -0.119 0.157) 0.197 4.882 ( -0.000 0.042 -0.410) 0.412 5.518 ( -0.000 0.341 -0.504) 0.608 5.572 ( 0.000 -0.333 0.511) 0.610 15.731 ( 0.000 0.270 0.248) 0.367 19.121 ( -0.000 -0.294 -0.124) 0.319 22.264 ( 0.000 0.021 0.179) 0.180 26.530 ( 0.000 0.015 0.451) 0.451 26.710 ( 0.000 -0.018 0.006) 0.019 27.936 ( -0.000 -0.042 -0.243) 0.247 33.907 ( 0.000 -0.009 0.123) 0.123 34.814 ( -0.000 0.038 -0.095) 0.102 37.343 ( -0.000 0.018 -0.015) 0.023 37.811 ( -0.000 -0.031 -0.026) 0.040 39.112 ( 0.000 0.043 0.274) 0.277 39.561 ( -0.000 -0.040 -0.311) 0.314 ======================= Grid point 418 (167/417) ======================= q-point: (-0.38 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( -0.385 -5.274 0.240) 5.293 2.786 ( 7.537 -2.168 0.323) 7.849 2.905 ( 7.475 -3.287 0.155) 8.167 3.011 ( -2.306 0.133 -0.781) 2.438 3.769 ( -3.199 -0.818 0.560) 3.349 3.839 ( -0.268 -0.891 0.269) 0.969 3.968 ( 8.874 -1.973 0.280) 9.095 4.052 ( 4.586 -0.022 -0.713) 4.642 4.514 ( -0.436 0.425 0.077) 0.614 4.879 ( -1.998 2.963 -0.448) 3.602 5.482 ( -2.860 -2.569 -0.139) 3.847 5.535 ( -2.754 -2.489 0.162) 3.715 15.698 ( -6.122 3.796 0.700) 7.237 19.146 ( 1.380 2.913 -0.580) 3.275 22.395 ( 16.740 -2.704 0.243) 16.958 26.408 ( -17.607 -7.516 0.086) 19.144 26.514 ( -13.345 2.452 0.456) 13.576 28.100 ( 15.881 0.083 -0.341) 15.885 33.919 ( 1.007 0.583 0.138) 1.172 34.791 ( -3.837 2.076 -0.059) 4.363 37.397 ( 6.007 0.310 -0.000) 6.015 37.850 ( 4.518 -0.174 -0.070) 4.522 39.075 ( -3.792 -0.930 0.401) 3.925 39.535 ( -4.784 3.314 -0.440) 5.837 ======================= Grid point 419 (168/417) ======================= q-point: (-0.31 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 1.552 -8.564 0.081) 8.704 2.893 ( -1.996 -4.752 0.686) 5.200 2.927 ( 11.739 -4.265 -0.029) 12.490 3.096 ( 10.947 -0.881 -0.884) 11.018 3.712 ( -2.101 -2.349 0.947) 3.290 3.813 ( -1.151 -2.340 0.197) 2.615 4.094 ( 9.241 -3.910 -0.420) 10.043 4.161 ( 8.992 -2.398 -0.327) 9.312 4.520 ( 0.087 2.169 0.070) 2.171 4.872 ( -3.513 5.638 -0.437) 6.657 5.378 ( -4.969 -4.806 0.357) 6.922 5.440 ( -4.725 -3.373 -0.299) 5.813 15.616 ( -9.590 7.169 1.037) 12.018 19.212 ( 1.711 5.064 -0.940) 5.427 22.750 ( 29.275 -5.845 0.258) 29.854 25.884 ( -28.413 -11.832 -0.152) 30.778 26.351 ( -12.925 5.481 0.719) 14.057 28.371 ( 15.565 -1.291 -0.398) 15.623 33.950 ( 1.777 0.636 0.124) 1.891 34.734 ( -6.371 4.363 -0.005) 7.722 37.536 ( 9.873 -0.136 0.008) 9.874 37.947 ( 7.174 -1.029 -0.100) 7.248 38.977 ( -6.356 -1.099 0.455) 6.467 39.468 ( -8.451 6.500 -0.482) 10.673 ======================= Grid point 420 (169/417) ======================= q-point: (-0.25 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 3.868 -10.037 0.049) 10.756 2.816 ( -1.742 -3.434 0.394) 3.871 3.080 ( 11.752 -6.852 -0.400) 13.609 3.274 ( 12.053 -3.800 -0.241) 12.640 3.658 ( -0.952 -3.550 1.276) 3.891 3.754 ( -2.029 -3.933 -0.256) 4.433 4.193 ( 7.653 -5.698 -0.959) 9.589 4.269 ( 8.446 -6.489 0.320) 10.656 4.570 ( 2.391 3.310 -0.013) 4.083 4.870 ( -4.301 7.589 -0.415) 8.733 5.241 ( -4.899 -5.142 0.893) 7.159 5.329 ( -4.479 -1.916 -0.737) 4.927 15.538 ( -9.628 10.233 1.207) 14.102 19.282 ( 0.309 5.479 -1.152) 5.607 23.210 ( 33.022 -11.966 0.236) 35.124 25.308 ( -24.405 -10.621 -0.146) 26.617 26.204 ( -12.641 9.900 0.668) 16.070 28.567 ( 10.161 -3.501 -0.411) 10.755 33.985 ( 1.862 -0.126 0.075) 1.868 34.674 ( -6.894 6.901 0.065) 9.755 37.697 ( 9.697 -2.413 0.037) 9.993 38.048 ( 6.572 -3.048 -0.149) 7.246 38.863 ( -6.047 0.315 0.442) 6.072 39.390 ( -9.666 9.749 -0.437) 13.736 ======================= Grid point 421 (170/417) ======================= q-point: (-0.19 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 5.649 -9.619 0.046) 11.155 2.781 ( 0.809 -2.079 0.448) 2.275 3.152 ( 6.227 -10.581 -0.736) 12.299 3.380 ( 6.084 -9.079 -0.027) 10.929 3.635 ( 2.129 -2.776 1.489) 3.802 3.696 ( 0.320 -2.293 -0.586) 2.388 4.226 ( 4.060 -7.212 -0.863) 8.322 4.311 ( 5.347 -9.437 0.389) 10.854 4.622 ( 0.144 0.377 -0.167) 0.437 4.870 ( -4.906 8.114 -0.382) 9.489 5.160 ( 0.338 -1.883 1.230) 2.274 5.280 ( -0.204 1.442 -0.934) 1.730 15.508 ( -7.195 12.604 1.195) 14.562 19.311 ( -2.433 4.298 -1.196) 5.081 23.476 ( 15.745 -27.275 0.226) 31.494 25.007 ( -2.061 3.928 -0.194) 4.440 26.146 ( -8.063 14.326 0.557) 16.448 28.634 ( 3.740 -6.688 -0.367) 7.671 34.002 ( 0.830 -1.212 0.011) 1.470 34.647 ( -5.289 8.966 0.125) 10.410 37.774 ( 3.856 -6.916 0.102) 7.919 38.091 ( 3.256 -5.477 -0.215) 6.375 38.812 ( -1.678 3.380 0.354) 3.790 39.349 ( -7.570 12.613 -0.322) 14.714 ======================= Grid point 422 (171/417) ======================= q-point: (-0.12 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 6.481 -7.436 -0.009) 9.864 2.805 ( 3.521 -1.095 0.679) 3.750 3.085 ( 0.408 -12.945 -0.456) 12.959 3.287 ( -2.311 -13.352 -0.653) 13.566 3.683 ( 4.451 -0.777 1.059) 4.640 3.728 ( 3.690 -0.002 -0.039) 3.690 4.190 ( 1.233 -8.800 -0.977) 8.939 4.262 ( 0.804 -11.302 0.631) 11.348 4.582 ( -3.508 -0.025 -0.342) 3.524 4.860 ( -4.942 7.364 -0.173) 8.870 5.224 ( 6.132 1.369 1.047) 6.370 5.345 ( 4.709 3.116 -0.840) 5.708 15.545 ( -3.930 13.500 1.011) 14.096 19.279 ( -4.833 2.495 -1.067) 5.542 23.212 ( -6.034 -34.425 0.174) 34.950 25.313 ( 21.498 15.935 -0.263) 26.761 26.214 ( -1.905 16.041 0.422) 16.159 28.561 ( -2.222 -10.660 -0.267) 10.892 33.989 ( -0.669 -1.574 -0.036) 1.710 34.671 ( -2.637 9.286 0.147) 9.654 37.694 ( -2.839 -9.617 0.115) 10.028 38.049 ( -0.610 -7.208 -0.184) 7.236 38.873 ( 3.092 5.518 0.194) 6.328 39.379 ( -4.002 13.107 -0.173) 13.705 ======================= Grid point 434 (172/417) ======================= q-point: (-0.38 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 0.000 -10.254 0.761) 10.282 2.689 ( 0.000 -4.393 0.248) 4.400 2.803 ( 0.000 -4.121 -0.272) 4.130 3.018 ( 0.000 -2.473 -0.806) 2.601 3.822 ( 0.000 -4.837 1.809) 5.164 3.826 ( 0.000 -0.961 0.634) 1.152 3.841 ( -0.000 0.064 -0.600) 0.603 4.002 ( -0.000 -2.050 -1.468) 2.521 4.526 ( -0.000 1.424 0.282) 1.451 4.934 ( -0.000 5.211 -0.598) 5.245 5.467 ( 0.000 -5.568 0.264) 5.574 5.523 ( 0.000 -4.473 -0.238) 4.479 15.807 ( -0.000 7.169 1.138) 7.258 19.178 ( -0.000 6.294 -1.039) 6.379 22.213 ( 0.000 -5.350 0.320) 5.359 26.503 ( 0.000 -3.093 0.737) 3.180 26.619 ( 0.000 -9.326 -0.036) 9.326 27.950 ( -0.000 1.446 -0.485) 1.525 33.922 ( -0.000 1.586 0.179) 1.596 34.852 ( -0.000 3.793 -0.077) 3.793 37.351 ( -0.000 0.826 0.020) 0.826 37.810 ( -0.000 -0.019 -0.107) 0.109 39.094 ( 0.000 -1.899 0.470) 1.956 39.621 ( -0.000 6.146 -0.506) 6.167 ======================= Grid point 435 (173/417) ======================= q-point: (-0.31 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 0.621 -12.907 0.791) 12.946 2.703 ( 7.637 -6.602 0.276) 10.099 2.803 ( 4.757 -6.881 0.152) 8.367 2.986 ( 1.010 -2.656 -1.275) 3.114 3.725 ( -2.974 -4.775 1.426) 5.803 3.807 ( -1.021 -2.441 0.337) 2.667 3.919 ( 7.098 -2.689 -0.160) 7.592 4.008 ( 5.164 -4.718 -1.365) 7.127 4.545 ( -0.101 2.652 0.504) 2.702 4.977 ( -1.744 6.808 -0.694) 7.062 5.380 ( -2.448 -7.803 0.753) 8.212 5.455 ( -2.177 -5.169 -0.709) 5.653 15.841 ( -6.137 10.221 1.470) 12.012 19.257 ( 0.678 8.808 -1.418) 8.947 22.292 ( 16.554 -8.024 0.339) 18.399 26.208 ( -23.323 -13.240 0.083) 26.819 26.516 ( -3.793 -2.631 0.655) 4.662 28.100 ( 13.920 0.025 -0.529) 13.931 33.947 ( 0.464 2.405 0.201) 2.457 34.866 ( -3.518 5.476 -0.088) 6.509 37.408 ( 5.489 0.918 0.024) 5.565 37.845 ( 3.957 -0.261 -0.119) 3.967 39.044 ( -3.355 -2.313 0.451) 4.100 39.652 ( -4.607 8.410 -0.464) 9.600 ======================= Grid point 436 (174/417) ======================= q-point: (-0.25 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 3.123 -13.808 0.638) 14.171 2.780 ( 1.879 -7.178 0.840) 7.467 2.801 ( 10.897 -8.472 -0.351) 13.807 3.041 ( 9.323 -4.379 -1.190) 10.368 3.635 ( -1.515 -6.487 1.795) 6.899 3.742 ( -1.993 -5.144 -0.787) 5.573 4.007 ( 7.559 -4.807 -0.492) 8.972 4.071 ( 7.924 -6.024 -0.342) 9.960 4.578 ( 0.731 2.881 0.517) 3.017 5.004 ( -2.905 7.176 -0.753) 7.778 5.249 ( -3.644 -7.977 1.286) 8.864 5.361 ( -3.007 -3.867 -1.136) 5.029 15.819 ( -9.593 12.874 1.645) 16.140 19.352 ( -0.204 9.678 -1.660) 9.821 22.581 ( 27.469 -11.681 0.312) 29.851 25.624 ( -26.861 -14.605 -0.055) 30.575 26.419 ( -6.200 0.712 0.726) 6.283 28.330 ( 13.663 -2.838 -0.510) 13.964 33.980 ( 0.312 2.646 0.188) 2.671 34.849 ( -5.559 7.179 -0.069) 9.080 37.533 ( 8.070 -0.143 0.035) 8.071 37.921 ( 5.549 -1.420 -0.135) 5.729 38.952 ( -4.884 -1.714 0.356) 5.188 39.635 ( -7.725 10.379 -0.328) 12.942 ======================= Grid point 437 (175/417) ======================= q-point: (-0.19 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 6.180 -13.247 0.404) 14.623 2.736 ( 0.947 -4.942 0.643) 5.073 2.897 ( 10.585 -11.786 -0.515) 15.850 3.153 ( 9.805 -8.523 -0.621) 13.006 3.569 ( 1.227 -6.360 2.151) 6.825 3.658 ( -0.433 -5.797 -1.594) 6.028 4.069 ( 6.083 -6.630 -0.509) 9.012 4.128 ( 6.314 -7.809 0.157) 10.043 4.621 ( 1.219 1.394 0.248) 1.868 5.013 ( -2.807 4.705 -0.740) 5.529 5.138 ( -2.245 -3.527 1.763) 4.537 5.293 ( -1.489 -1.010 -1.398) 2.279 15.792 ( -9.782 14.991 1.648) 17.975 19.416 ( -2.802 8.785 -1.741) 9.384 22.896 ( 24.459 -20.215 0.274) 31.733 25.140 ( -14.113 -6.485 -0.127) 15.533 26.347 ( -4.714 3.961 0.616) 6.188 28.471 ( 8.031 -6.247 -0.444) 10.185 34.004 ( -0.465 2.264 0.134) 2.315 34.828 ( -5.784 8.625 -0.011) 10.385 37.643 ( 5.716 -3.107 0.091) 6.507 37.983 ( 4.089 -3.417 -0.189) 5.332 38.873 ( -2.979 0.412 0.202) 3.014 39.606 ( -8.285 12.205 -0.136) 14.752 ======================= Grid point 438 (176/417) ======================= q-point: (-0.12 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 8.892 -11.341 0.086) 14.411 2.728 ( 2.988 -3.773 0.943) 4.904 2.901 ( 5.360 -14.676 -0.649) 15.638 3.152 ( 2.662 -13.286 -0.577) 13.562 3.583 ( 5.588 -3.597 2.230) 7.010 3.644 ( 4.503 -2.987 -1.723) 5.672 4.070 ( 2.799 -8.366 -0.574) 8.841 4.124 ( 3.216 -9.713 0.383) 10.239 4.627 ( -1.370 -0.035 -0.005) 1.370 5.009 ( -2.692 4.537 -0.599) 5.309 5.131 ( 3.000 0.027 1.849) 3.525 5.297 ( 2.450 0.946 -1.420) 2.986 15.795 ( -8.081 15.993 1.499) 17.982 19.414 ( -6.045 6.859 -1.659) 9.292 22.898 ( 5.350 -31.219 0.219) 31.675 25.143 ( 12.903 9.108 -0.232) 15.795 26.351 ( -0.810 6.213 0.444) 6.281 28.469 ( 1.240 -10.166 -0.337) 10.247 34.006 ( -1.574 1.617 0.050) 2.257 34.826 ( -4.736 9.192 0.073) 10.341 37.641 ( -0.305 -6.571 0.153) 6.580 37.983 ( 1.010 -5.186 -0.225) 5.288 38.878 ( 1.490 2.975 0.017) 3.327 39.602 ( -6.812 13.087 0.051) 14.754 ======================= Grid point 451 (177/417) ======================= q-point: (-0.31 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 0.000 -15.871 1.262) 15.921 2.561 ( 0.000 -8.973 0.256) 8.976 2.684 ( 0.000 -8.016 -0.293) 8.021 2.943 ( 0.000 -4.515 -1.119) 4.651 3.692 ( 0.000 -9.745 2.295) 10.012 3.804 ( 0.000 -1.522 0.789) 1.714 3.839 ( -0.000 -0.049 -0.731) 0.733 3.886 ( 0.000 -9.371 -2.319) 9.654 4.572 ( -0.000 2.262 0.807) 2.402 5.055 ( -0.000 6.287 -0.872) 6.348 5.319 ( 0.000 -8.813 1.324) 8.912 5.418 ( 0.000 -5.242 -1.256) 5.391 16.010 ( -0.000 12.841 1.798) 12.967 19.351 ( -0.000 11.890 -1.810) 12.027 22.061 ( 0.000 -10.374 0.355) 10.380 26.355 ( 0.000 -17.554 -0.056) 17.554 26.407 ( 0.000 -7.453 0.894) 7.506 27.977 ( -0.000 1.119 -0.585) 1.262 33.977 ( -0.000 4.207 0.257) 4.215 34.954 ( -0.000 6.469 -0.179) 6.471 37.375 ( -0.000 1.644 0.026) 1.645 37.812 ( -0.000 0.274 -0.109) 0.295 39.046 ( 0.000 -3.258 0.366) 3.278 39.778 ( -0.000 9.662 -0.330) 9.667 ======================= Grid point 452 (178/417) ======================= q-point: (-0.25 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 1.832 -16.922 1.154) 17.060 2.531 ( 7.721 -11.307 0.243) 13.694 2.644 ( 4.815 -9.562 -0.012) 10.706 2.907 ( 1.922 -4.439 -1.175) 4.978 3.576 ( -0.943 -11.680 2.269) 11.935 3.719 ( -2.963 -8.476 -1.488) 9.101 3.858 ( 5.022 -4.367 -0.225) 6.659 3.895 ( 6.096 -3.558 -0.632) 7.086 4.589 ( 0.312 0.386 0.860) 0.993 5.075 ( -1.116 -1.649 -0.837) 2.160 5.242 ( -2.115 -2.005 1.996) 3.533 5.360 ( -1.466 -2.758 -1.965) 3.690 16.095 ( -6.142 14.948 1.962) 16.279 19.468 ( -0.601 13.470 -2.049) 13.639 22.090 ( 16.071 -12.799 0.321) 20.547 25.894 ( -23.570 -19.000 0.077) 30.275 26.411 ( 3.255 -8.596 0.725) 9.220 28.086 ( 11.124 -1.700 -0.529) 11.266 34.023 ( -0.465 5.550 0.269) 5.576 34.993 ( -3.096 7.431 -0.231) 8.054 37.433 ( 4.522 1.548 0.021) 4.779 37.842 ( 2.983 0.073 -0.090) 2.986 38.989 ( -2.498 -3.632 0.205) 4.413 39.838 ( -4.205 10.431 -0.088) 11.247 ======================= Grid point 453 (179/417) ======================= q-point: (-0.19 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 5.184 -16.483 0.716) 17.294 2.579 ( 11.258 -13.558 0.208) 17.624 2.637 ( 4.711 -8.926 0.285) 10.097 2.929 ( 6.549 -6.112 -1.005) 9.014 3.463 ( 1.502 -12.498 2.396) 12.814 3.582 ( -0.589 -11.337 -2.262) 11.575 3.908 ( 5.847 -5.030 -0.012) 7.713 3.960 ( 5.849 -4.600 -0.207) 7.444 4.598 ( 1.586 -1.829 0.597) 2.493 4.992 ( -0.313 -9.930 0.183) 9.936 5.225 ( -3.341 5.552 1.912) 6.756 5.317 ( -2.292 1.685 -2.673) 3.904 16.116 ( -9.564 16.542 1.945) 19.206 19.568 ( -2.934 13.188 -2.116) 13.675 22.302 ( 23.782 -16.995 0.263) 29.231 25.325 ( -20.109 -15.975 -0.007) 25.683 26.370 ( 1.110 -6.342 0.628) 6.469 28.247 ( 11.135 -5.864 -0.409) 12.591 34.063 ( -1.673 6.056 0.230) 6.287 35.000 ( -4.812 8.266 -0.204) 9.567 37.532 ( 5.435 0.028 0.047) 5.435 37.895 ( 3.451 -1.103 -0.113) 3.625 38.910 ( -2.529 -2.832 -0.016) 3.797 39.848 ( -6.652 11.089 0.216) 12.933 ======================= Grid point 454 (180/417) ======================= q-point: (-0.12 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 9.079 -14.722 0.132) 17.297 2.610 ( 7.352 -12.766 0.872) 14.757 2.635 ( 6.233 -10.989 -0.342) 12.639 2.961 ( 5.306 -9.800 -0.524) 11.156 3.421 ( 6.724 -10.349 2.462) 12.585 3.503 ( 4.803 -9.472 -2.516) 10.914 3.938 ( 3.936 -6.398 -0.212) 7.515 3.986 ( 3.416 -6.501 0.196) 7.347 4.610 ( 2.066 -2.767 0.016) 3.453 4.927 ( 4.396 -8.721 1.060) 9.824 5.229 ( -3.523 6.333 1.656) 7.433 5.303 ( -2.245 4.066 -2.792) 5.419 16.117 ( -10.067 17.417 1.781) 20.195 19.605 ( -6.494 11.418 -2.027) 13.291 22.446 ( 14.862 -25.658 0.198) 29.653 25.051 ( 1.831 -2.929 -0.128) 3.456 26.348 ( 2.648 -4.314 0.435) 5.080 28.315 ( 5.655 -9.941 -0.280) 11.440 34.080 ( -3.173 5.617 0.150) 6.453 34.998 ( -5.131 8.679 -0.093) 10.082 37.583 ( 1.611 -2.943 0.127) 3.358 37.921 ( 1.627 -2.673 -0.186) 3.135 38.873 ( 0.638 -0.693 -0.258) 0.977 39.843 ( -6.974 11.648 0.482) 13.585 ======================= Grid point 468 (181/417) ======================= q-point: (-0.25 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 0.000 -18.708 1.308) 18.754 2.341 ( 0.000 -13.845 0.271) 13.848 2.493 ( 0.000 -11.375 -0.319) 11.380 2.851 ( 0.000 -4.116 -0.834) 4.200 3.446 ( 0.000 -17.013 2.326) 17.171 3.621 ( 0.000 -16.792 -2.614) 16.995 3.775 ( 0.000 -1.759 0.787) 1.927 3.834 ( -0.000 -0.159 -0.701) 0.719 4.573 ( 0.000 -3.579 0.986) 3.713 5.008 ( 0.000 -11.561 -0.226) 11.563 5.283 ( 0.000 3.315 2.607) 4.217 5.366 ( -0.000 3.490 -3.280) 4.789 16.306 ( -0.000 16.481 2.107) 16.615 19.615 ( -0.000 15.998 -2.233) 16.153 21.819 ( 0.000 -14.478 0.279) 14.480 25.951 ( 0.000 -23.570 -0.052) 23.570 26.208 ( 0.000 -13.806 0.899) 13.835 27.966 ( 0.000 -2.673 -0.417) 2.705 34.096 ( -0.000 8.194 0.284) 8.199 35.092 ( -0.000 7.677 -0.365) 7.686 37.414 ( -0.000 2.376 0.005) 2.376 37.822 ( -0.000 0.903 -0.031) 0.903 38.966 ( 0.000 -5.230 -0.025) 5.230 39.973 ( -0.000 9.847 0.304) 9.851 ======================= Grid point 469 (182/417) ======================= q-point: (-0.19 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 3.106 -18.921 0.934) 19.197 2.266 ( 7.961 -16.056 0.206) 17.922 2.431 ( 5.970 -12.433 -0.090) 13.792 2.823 ( 1.347 -3.456 -0.593) 3.756 3.279 ( 1.867 -20.102 2.123) 20.300 3.436 ( 0.153 -18.653 -2.381) 18.805 3.790 ( 3.410 -2.648 0.567) 4.355 3.857 ( 3.022 -1.080 -0.530) 3.252 4.532 ( 1.334 -6.678 0.903) 6.869 4.879 ( -0.212 -13.546 0.091) 13.547 5.302 ( -1.246 2.738 1.734) 3.473 5.409 ( -2.118 8.968 -2.674) 9.594 16.422 ( -6.134 17.440 2.051) 18.600 19.754 ( -2.265 16.712 -2.204) 17.008 21.805 ( 15.070 -16.380 0.212) 22.259 25.482 ( -20.136 -23.110 0.089) 30.652 26.181 ( 8.662 -15.658 0.656) 17.906 28.007 ( 8.972 -7.018 -0.187) 11.392 34.172 ( -1.774 9.971 0.227) 10.130 35.143 ( -2.720 7.877 -0.399) 8.344 37.468 ( 3.237 2.066 0.001) 3.840 37.849 ( 1.784 0.732 -0.008) 1.928 38.898 ( -1.110 -6.013 -0.313) 6.122 40.034 ( -3.461 9.058 0.792) 9.729 ======================= Grid point 470 (183/417) ======================= q-point: (-0.12 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 7.582 -17.560 0.210) 19.128 2.273 ( 11.393 -17.827 -0.070) 21.156 2.429 ( 7.627 -12.790 0.400) 14.897 2.824 ( 2.667 -3.903 -0.203) 4.731 3.158 ( 7.380 -19.924 1.790) 21.322 3.286 ( 4.676 -17.702 -2.065) 18.425 3.824 ( 3.652 -3.648 0.121) 5.164 3.890 ( 2.654 -2.771 -0.070) 3.838 4.509 ( 3.850 -7.062 0.304) 8.049 4.764 ( 2.492 -12.617 0.712) 12.881 5.309 ( -1.893 3.634 1.025) 4.224 5.442 ( -4.364 9.670 -2.054) 10.806 16.461 ( -9.535 17.861 1.819) 20.328 19.839 ( -6.087 15.543 -2.031) 16.816 21.933 ( 18.319 -20.807 0.138) 27.722 25.017 ( -8.185 -15.344 0.029) 17.391 26.171 ( 7.862 -14.444 0.410) 16.450 28.081 ( 9.531 -11.682 0.035) 15.077 34.221 ( -4.338 10.252 0.142) 11.133 35.158 ( -4.255 7.922 -0.291) 8.997 37.535 ( 2.443 0.267 0.056) 2.459 37.881 ( 1.362 -0.326 -0.077) 1.403 38.834 ( 0.734 -5.139 -0.606) 5.227 40.048 ( -5.041 8.693 1.204) 10.120 ======================= Grid point 485 (184/417) ======================= q-point: (-0.19 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 0.000 -20.165 0.857) 20.184 2.026 ( 0.000 -18.710 0.268) 18.712 2.244 ( 0.000 -14.021 -0.319) 14.025 2.787 ( 0.000 -2.175 -0.305) 2.196 3.037 ( 0.000 -26.114 1.570) 26.161 3.221 ( 0.000 -23.239 -1.843) 23.312 3.744 ( 0.000 -1.754 0.736) 1.902 3.827 ( -0.000 -0.190 -0.628) 0.656 4.439 ( 0.000 -9.930 1.197) 10.002 4.743 ( 0.000 -14.508 -0.342) 14.512 5.347 ( -0.000 3.913 1.000) 4.039 5.519 ( -0.000 10.389 -1.861) 10.554 16.651 ( -0.000 17.798 1.961) 17.906 19.945 ( -0.000 18.784 -1.987) 18.889 21.512 ( 0.000 -16.850 0.148) 16.851 25.461 ( 0.000 -26.295 -0.033) 26.295 25.869 ( 0.000 -21.659 0.876) 21.677 27.839 ( 0.000 -11.313 0.252) 11.316 34.305 ( -0.000 13.405 0.090) 13.406 35.239 ( -0.000 7.479 -0.523) 7.497 37.465 ( -0.000 2.827 -0.027) 2.827 37.847 ( -0.000 1.639 0.075) 1.640 38.832 ( 0.000 -8.781 -0.657) 8.805 40.141 ( -0.000 6.565 1.550) 6.746 ======================= Grid point 486 (185/417) ======================= q-point: (-0.12 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 4.614 -19.762 0.306) 20.295 1.912 ( 8.663 -20.426 0.144) 22.187 2.164 ( 6.690 -14.783 -0.109) 16.226 2.776 ( 0.835 -1.400 -0.155) 1.638 2.811 ( 5.534 -28.626 1.053) 29.175 3.006 ( 3.288 -24.327 -1.096) 24.573 3.748 ( 2.152 -2.010 0.486) 2.985 3.838 ( 1.508 -0.751 -0.401) 1.732 4.364 ( 3.006 -10.270 1.123) 10.760 4.606 ( 0.837 -14.164 -0.421) 14.195 5.380 ( -1.324 4.627 0.676) 4.860 5.595 ( -2.584 10.231 -1.449) 10.651 16.773 ( -6.112 17.595 1.668) 18.701 20.093 ( -4.270 18.884 -1.612) 19.428 21.469 ( 13.226 -17.966 0.079) 22.309 25.021 ( -14.331 -23.714 0.162) 27.708 25.807 ( 13.411 -22.993 0.554) 26.624 27.782 ( 8.768 -16.994 0.757) 19.137 34.416 ( -3.735 15.201 -0.088) 15.653 35.287 ( -2.412 7.043 -0.474) 7.459 37.511 ( 1.808 2.282 -0.016) 2.912 37.870 ( 0.542 1.383 0.062) 1.487 38.742 ( 1.128 -10.033 -0.958) 10.142 40.177 ( -2.171 4.675 2.218) 5.612 ======================= Grid point 502 (186/417) ======================= q-point: (-0.12 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 0.000 -20.834 0.219) 20.835 1.619 ( 0.000 -23.204 0.274) 23.206 1.955 ( 0.000 -15.421 -0.321) 15.424 2.448 ( 0.000 -34.635 0.330) 34.636 2.689 ( 0.000 -23.669 -1.178) 23.698 2.791 ( 0.000 -4.510 0.857) 4.591 3.714 ( 0.000 -1.542 0.652) 1.674 3.821 ( -0.000 -0.166 -0.536) 0.562 4.231 ( 0.000 -11.436 1.745) 11.568 4.459 ( 0.000 -14.170 -1.403) 14.239 5.440 ( -0.000 4.853 0.441) 4.873 5.715 ( -0.000 10.061 -1.020) 10.113 16.997 ( -0.000 16.792 1.398) 16.850 20.325 ( -0.000 20.931 -0.941) 20.952 21.183 ( 0.000 -16.661 0.043) 16.661 24.957 ( 0.000 -24.997 -0.014) 24.997 25.380 ( 0.000 -28.600 1.215) 28.625 27.498 ( 0.000 -24.866 1.720) 24.926 34.621 ( -0.000 19.288 -0.498) 19.294 35.371 ( -0.000 6.161 -0.553) 6.185 37.521 ( -0.000 2.818 -0.051) 2.818 37.885 ( -0.000 2.092 0.146) 2.097 38.607 ( 0.000 -14.268 -1.192) 14.317 40.225 ( 0.000 0.985 3.193) 3.342 ======================= Grid point 555 (187/417) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.120 ( 0.000 -0.000 9.430) 9.430 0.120 ( 0.000 -0.000 9.430) 9.430 0.249 ( 0.000 -0.000 20.133) 20.133 1.316 ( -0.000 0.000 -1.248) 1.248 1.316 ( -0.000 0.000 -1.248) 1.248 2.843 ( -0.000 0.000 -3.393) 3.393 3.671 ( 0.000 -0.000 0.578) 0.578 3.671 ( 0.000 -0.000 0.578) 0.578 3.811 ( -0.000 0.000 -0.475) 0.475 3.811 ( -0.000 0.000 -0.475) 0.475 5.789 ( -0.000 0.000 -0.666) 0.666 6.097 ( 0.000 -0.000 2.018) 2.018 17.769 ( -0.000 0.000 -4.147) 4.147 20.606 ( 0.000 -0.000 0.343) 0.343 20.606 ( 0.000 -0.000 0.343) 0.343 21.413 ( 0.000 -0.000 5.420) 5.420 24.113 ( 0.000 -0.000 0.004) 0.004 24.113 ( 0.000 -0.000 0.004) 0.004 35.556 ( 0.000 -0.000 0.978) 0.978 37.082 ( -0.000 0.000 -0.973) 0.973 37.618 ( -0.000 0.000 -0.097) 0.097 37.618 ( -0.000 0.000 -0.097) 0.097 37.968 ( -0.000 0.000 -0.030) 0.030 37.968 ( -0.000 0.000 -0.030) 0.030 ======================= Grid point 556 (188/417) ======================= q-point: ( 0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( 11.762 6.791 11.821) 18.006 0.606 ( 24.859 14.352 2.407) 28.805 0.886 ( 37.939 21.904 1.281) 43.827 1.406 ( 8.016 4.628 -1.483) 9.374 1.583 ( 20.848 12.036 -0.489) 24.078 2.816 ( -1.489 -0.860 -3.583) 3.974 3.683 ( 0.711 0.411 0.863) 1.191 3.807 ( -0.096 -0.055 -0.716) 0.724 3.885 ( 6.571 3.794 -0.458) 7.601 3.916 ( 8.485 4.899 -4.780) 10.901 5.611 ( -4.325 -2.497 3.538) 6.120 6.043 ( -4.542 -2.623 1.289) 5.401 17.516 ( -8.080 -4.665 0.408) 9.339 20.682 ( 6.521 3.765 0.365) 7.539 21.131 ( -14.403 -8.316 -5.427) 17.494 24.219 ( 9.324 5.383 0.012) 10.766 24.334 ( 18.220 10.519 -0.007) 21.038 25.188 ( 107.129 61.851 -97.596) 157.567 35.533 ( -2.371 -1.369 1.089) 2.947 35.723 ( -35.423 -20.451 22.456) 46.661 37.605 ( -1.126 -0.650 -0.129) 1.306 37.882 ( 18.028 10.409 4.636) 21.327 37.958 ( -0.966 -0.558 0.023) 1.116 39.635 ( 33.752 19.487 -52.727) 65.567 ======================= Grid point 557 (189/417) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 16.497 9.525 5.782) 19.908 1.151 ( 23.156 13.369 1.457) 26.777 1.641 ( 12.468 7.198 -1.398) 14.464 1.712 ( 35.215 20.331 0.296) 40.664 2.128 ( 25.950 14.982 0.146) 29.965 2.775 ( -1.224 -0.707 -3.115) 3.420 3.705 ( 1.146 0.662 0.961) 1.636 3.804 ( -0.030 -0.018 -0.811) 0.811 4.068 ( 9.121 5.266 2.259) 10.772 4.121 ( 10.964 6.330 -4.772) 13.529 5.531 ( -3.837 -2.215 1.384) 4.641 5.910 ( -7.211 -4.164 1.090) 8.398 17.287 ( -12.217 -7.054 -1.741) 14.215 20.747 ( -17.931 -10.352 -0.333) 20.707 20.889 ( 11.625 6.711 0.295) 13.426 24.519 ( 16.976 9.801 0.040) 19.603 24.839 ( 25.208 14.554 0.877) 29.121 26.654 ( 48.531 28.020 -23.752) 60.865 35.092 ( -24.442 -14.112 5.554) 28.765 35.475 ( -3.826 -2.209 0.806) 4.490 37.569 ( -1.993 -1.151 -0.142) 2.306 37.928 ( -1.636 -0.945 0.073) 1.890 38.312 ( 17.435 10.066 5.859) 20.967 40.002 ( 11.607 6.701 -22.509) 26.197 ======================= Grid point 558 (190/417) ======================= q-point: ( 0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 17.478 10.091 2.951) 20.397 1.639 ( 20.039 11.570 1.046) 23.163 1.933 ( 13.368 7.718 -1.131) 15.477 2.448 ( 30.068 17.360 -0.466) 34.723 2.659 ( 14.938 8.624 -1.278) 17.296 2.795 ( 9.395 5.424 -0.233) 10.851 3.736 ( 1.390 0.803 0.763) 1.778 3.803 ( 0.085 0.049 -0.650) 0.657 4.281 ( 9.205 5.314 1.817) 10.783 4.385 ( 13.154 7.594 -3.862) 15.672 5.442 ( -4.261 -2.460 1.166) 5.056 5.734 ( -8.606 -4.969 1.027) 9.990 16.975 ( -14.882 -8.592 -2.813) 17.413 20.352 ( -17.457 -10.079 2.594) 20.324 21.186 ( 14.395 8.311 0.153) 16.622 24.958 ( 21.675 12.514 0.078) 25.029 25.404 ( 24.039 13.879 0.308) 27.760 27.439 ( 25.480 14.711 -5.444) 29.921 34.629 ( -17.543 -10.129 1.036) 20.284 35.372 ( -5.474 -3.160 0.575) 6.347 37.518 ( -2.454 -1.417 -0.140) 2.837 37.889 ( -1.773 -1.024 0.118) 2.051 38.650 ( 11.659 6.731 4.196) 14.101 40.128 ( 2.763 1.595 -9.641) 10.155 ======================= Grid point 559 (191/417) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 17.291 9.983 1.211) 20.003 2.048 ( 16.210 9.359 0.716) 18.731 2.219 ( 12.159 7.020 -0.772) 14.061 2.745 ( 2.144 1.238 -1.840) 3.085 3.045 ( 23.072 13.321 -1.270) 26.672 3.223 ( 19.319 11.154 2.083) 22.405 3.768 ( 1.286 0.743 0.024) 1.486 3.807 ( 0.365 0.210 0.028) 0.422 4.473 ( 7.307 4.219 0.257) 8.441 4.684 ( 13.808 7.972 -2.375) 16.120 5.357 ( -3.214 -1.856 1.435) 3.979 5.536 ( -9.008 -5.201 0.799) 10.432 16.625 ( -15.460 -8.926 -3.065) 18.112 19.979 ( -16.224 -9.367 3.425) 19.044 21.515 ( 14.590 8.424 -0.015) 16.848 25.463 ( 22.797 13.162 0.106) 26.324 25.884 ( 18.480 10.669 -0.189) 21.339 27.825 ( 10.658 6.153 -0.837) 12.335 34.305 ( -11.656 -6.730 -0.071) 13.460 35.236 ( -6.598 -3.810 0.363) 7.628 37.462 ( -2.448 -1.414 -0.126) 2.830 37.853 ( -1.422 -0.821 0.151) 1.649 38.861 ( 7.000 4.041 2.009) 8.329 40.095 ( -4.172 -2.409 -3.593) 6.010 ======================= Grid point 560 (192/417) ======================= q-point: ( 0.44 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 16.111 9.301 0.027) 18.603 2.366 ( 12.048 6.956 0.365) 13.917 2.466 ( 9.837 5.680 -0.367) 11.365 2.807 ( 3.545 2.047 -0.591) 4.136 3.471 ( 15.374 8.876 -2.487) 17.926 3.601 ( 13.769 7.949 2.978) 16.175 3.790 ( 0.742 0.428 -0.909) 1.249 3.822 ( 0.868 0.501 0.906) 1.351 4.587 ( 2.481 1.432 -0.674) 2.943 4.975 ( 11.752 6.785 -0.886) 13.598 5.284 ( -5.680 -3.279 0.613) 6.587 5.387 ( -1.258 -0.726 1.018) 1.774 16.285 ( -14.077 -8.127 -2.678) 16.474 19.644 ( -14.083 -8.131 3.003) 16.537 21.823 ( 12.588 7.267 -0.164) 14.536 25.954 ( 20.420 11.789 0.108) 23.579 26.225 ( 12.015 6.937 -0.458) 13.881 27.960 ( 2.375 1.371 0.257) 2.754 34.098 ( -6.970 -4.024 -0.219) 8.051 35.085 ( -6.726 -3.883 0.170) 7.768 37.411 ( -2.037 -1.176 -0.101) 2.355 37.827 ( -0.841 -0.485 0.163) 0.984 38.986 ( 4.176 2.411 0.565) 4.855 39.948 ( -7.954 -4.592 -0.968) 9.236 ======================= Grid point 561 (193/417) ======================= q-point: ( 0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 13.431 7.755 -0.681) 15.524 2.589 ( 7.835 4.523 -0.077) 9.047 2.654 ( 6.910 3.989 0.103) 7.980 2.895 ( 4.091 2.362 0.395) 4.741 3.730 ( 8.442 4.874 -3.176) 10.253 3.802 ( 0.520 0.300 -0.698) 0.921 3.844 ( 0.798 0.461 0.668) 1.138 3.851 ( 8.049 4.647 3.289) 9.859 4.589 ( -1.469 -0.848 -0.537) 1.780 5.052 ( -6.400 -3.695 0.888) 7.443 5.277 ( 7.834 4.523 -1.031) 9.104 5.451 ( 4.797 2.769 0.803) 5.596 15.999 ( -10.742 -6.202 -1.948) 12.556 19.370 ( -10.662 -6.156 2.054) 12.481 22.067 ( 9.075 5.239 -0.268) 10.482 26.357 ( 15.187 8.768 0.082) 17.536 26.429 ( 6.618 3.821 -0.620) 7.667 27.968 ( -1.090 -0.629 0.484) 1.348 33.983 ( -3.535 -2.041 -0.180) 4.086 34.945 ( -5.601 -3.234 0.063) 6.468 37.372 ( -1.384 -0.799 -0.064) 1.600 37.815 ( -0.338 -0.195 0.148) 0.418 39.061 ( 2.682 1.548 -0.181) 3.102 39.761 ( -8.205 -4.737 0.116) 9.475 ======================= Grid point 562 (194/417) ======================= q-point: ( 0.56 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 8.244 4.760 -0.897) 9.562 2.718 ( 3.731 2.154 -0.637) 4.355 2.774 ( 3.652 2.109 0.664) 4.269 2.977 ( 2.796 1.614 0.870) 3.343 3.811 ( 0.411 0.237 -0.207) 0.518 3.853 ( 3.556 2.053 -2.671) 4.899 3.858 ( 0.344 0.199 0.168) 0.432 3.977 ( 2.834 1.636 2.439) 4.081 4.550 ( -1.445 -0.834 -0.350) 1.705 4.910 ( -5.044 -2.912 0.621) 5.857 5.434 ( 5.193 2.998 -0.130) 5.998 5.555 ( 3.641 2.102 0.098) 4.205 15.809 ( -5.674 -3.276 -1.139) 6.650 19.185 ( -5.970 -3.447 1.039) 6.972 22.223 ( 4.727 2.729 -0.321) 5.468 26.531 ( 2.803 1.618 -0.749) 3.322 26.620 ( 8.041 4.642 0.037) 9.285 27.937 ( -1.389 -0.802 0.500) 1.680 33.930 ( -1.342 -0.775 -0.179) 1.560 34.844 ( -3.204 -1.850 0.078) 3.701 37.349 ( -0.667 -0.385 -0.019) 0.771 37.811 ( -0.091 -0.053 0.107) 0.150 39.110 ( 1.718 0.992 -0.498) 2.045 39.604 ( -5.408 -3.122 0.533) 6.267 ======================= Grid point 563 (195/417) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( -0.038 -0.022 -0.925) 0.926 2.755 ( -0.186 -0.107 -1.011) 1.033 2.819 ( 0.184 0.106 1.036) 1.057 3.012 ( 0.069 0.040 0.970) 0.974 3.818 ( 0.224 0.130 0.250) 0.360 3.859 ( -0.228 -0.131 -0.295) 0.396 3.898 ( 0.978 0.565 -1.293) 1.717 3.998 ( -0.929 -0.537 0.897) 1.399 4.531 ( -0.195 -0.112 -0.518) 0.565 4.853 ( 0.072 0.042 0.844) 0.848 5.496 ( 0.285 0.165 0.463) 0.568 5.595 ( -0.263 -0.152 -0.462) 0.553 15.747 ( 0.431 0.249 -0.460) 0.678 19.113 ( -0.470 -0.272 0.231) 0.590 22.276 ( 0.034 0.020 -0.331) 0.334 26.560 ( 0.025 0.014 -0.848) 0.849 26.711 ( -0.028 -0.016 -0.010) 0.034 27.920 ( -0.068 -0.039 0.467) 0.474 33.915 ( -0.015 -0.009 -0.228) 0.229 34.808 ( 0.061 0.035 0.178) 0.191 37.342 ( 0.028 0.016 0.027) 0.042 37.810 ( -0.049 -0.028 0.047) 0.074 39.131 ( 0.077 0.044 -0.550) 0.557 39.540 ( -0.071 -0.041 0.616) 0.622 ======================= Grid point 564 (196/417) ======================= q-point: (-0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( -8.388 -4.843 -1.320) 9.776 2.706 ( -3.969 -2.291 -1.047) 4.701 2.785 ( -3.414 -1.971 1.076) 4.086 2.985 ( -2.565 -1.481 1.347) 3.254 3.822 ( 0.039 0.023 0.627) 0.629 3.846 ( -0.804 -0.464 -0.688) 1.156 3.876 ( -3.187 -1.840 -1.919) 4.150 3.955 ( -3.181 -1.837 1.751) 4.070 4.543 ( 1.509 0.871 -0.808) 1.920 4.912 ( 4.725 2.728 0.798) 5.514 5.449 ( -4.462 -2.576 1.038) 5.256 5.540 ( -4.277 -2.469 -0.995) 5.037 15.826 ( 6.483 3.743 -0.056) 7.486 19.165 ( 5.072 2.928 -0.218) 5.861 22.223 ( -4.672 -2.697 -0.314) 5.404 26.529 ( -2.741 -1.582 -0.890) 3.288 26.619 ( -8.089 -4.670 -0.043) 9.340 27.936 ( 1.266 0.731 0.431) 1.524 33.929 ( 1.359 0.784 -0.257) 1.590 34.847 ( 3.268 1.887 0.271) 3.783 37.350 ( 0.718 0.415 0.066) 0.832 37.809 ( 0.002 0.001 -0.018) 0.018 39.110 ( -1.746 -1.008 -0.515) 2.080 39.604 ( 5.461 3.153 0.587) 6.333 ======================= Grid point 565 (197/417) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -13.675 -7.895 -1.756) 15.888 2.572 ( -7.888 -4.554 -0.916) 9.154 2.672 ( -6.837 -3.947 0.964) 7.953 2.914 ( -3.778 -2.181 1.655) 4.666 3.741 ( -8.458 -4.883 -2.760) 10.149 3.820 ( -1.175 -0.678 -0.470) 1.435 3.824 ( -0.167 -0.096 0.381) 0.427 3.837 ( -8.262 -4.770 2.714) 9.919 4.588 ( 1.960 1.131 -0.665) 2.358 5.043 ( 5.578 3.220 0.328) 6.449 5.315 ( -6.706 -3.872 1.555) 7.898 5.420 ( -5.514 -3.183 -1.336) 6.506 16.029 ( 11.389 6.576 -0.004) 13.151 19.334 ( 9.908 5.721 -0.237) 11.444 22.067 ( -9.050 -5.225 -0.281) 10.454 26.355 ( -15.213 -8.783 -0.050) 17.566 26.425 ( -6.546 -3.780 -0.866) 7.609 27.967 ( 1.038 0.600 0.398) 1.263 33.982 ( 3.629 2.095 -0.232) 4.196 34.948 ( 5.552 3.205 0.313) 6.418 37.374 ( 1.422 0.821 0.090) 1.644 37.811 ( 0.275 0.159 -0.077) 0.327 39.055 ( -2.985 -1.724 -0.548) 3.490 39.768 ( 8.610 4.971 0.608) 9.961 ======================= Grid point 566 (198/417) ======================= q-point: (-0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( -16.430 -9.486 -1.815) 19.058 2.347 ( -12.070 -6.969 -0.748) 13.958 2.486 ( -9.775 -5.644 0.824) 11.318 2.836 ( -3.208 -1.852 1.478) 3.989 3.475 ( -15.109 -8.723 -2.281) 17.595 3.590 ( -14.239 -8.221 2.274) 16.599 3.786 ( -1.559 -0.900 -1.003) 2.061 3.824 ( -0.091 -0.053 0.878) 0.884 4.584 ( -2.982 -1.721 -0.787) 3.532 5.001 ( -9.880 -5.704 0.881) 11.442 5.316 ( 7.070 4.082 0.085) 8.165 5.330 ( -1.444 -0.834 -0.260) 1.688 16.322 ( 14.455 8.346 -0.305) 16.694 19.600 ( 13.620 7.864 0.145) 15.728 21.822 ( -12.599 -7.274 -0.230) 14.550 25.951 ( -20.418 -11.789 -0.035) 23.577 26.219 ( -12.015 -6.937 -0.820) 13.898 27.961 ( -2.167 -1.251 0.347) 2.527 34.099 ( 7.058 4.075 -0.179) 8.152 35.088 ( 6.596 3.808 0.343) 7.624 37.414 ( 2.057 1.188 0.096) 2.377 37.823 ( 0.812 0.469 -0.122) 0.946 38.969 ( -4.766 -2.752 -0.503) 5.527 39.971 ( 8.915 5.147 0.509) 10.306 ======================= Grid point 567 (199/417) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -17.694 -10.216 -1.364) 20.477 2.028 ( -16.251 -9.383 -0.551) 18.773 2.241 ( -12.091 -6.981 0.632) 13.976 2.783 ( -1.709 -0.987 0.916) 2.176 3.046 ( -22.911 -13.228 -1.285) 26.487 3.211 ( -19.783 -11.422 1.299) 22.880 3.749 ( -1.568 -0.905 -0.925) 2.033 3.823 ( -0.117 -0.068 0.783) 0.794 4.447 ( -8.487 -4.900 -1.355) 9.893 4.738 ( -12.654 -7.306 1.204) 14.661 5.353 ( 3.162 1.826 -0.682) 3.714 5.511 ( 9.156 5.286 0.835) 10.606 16.660 ( 15.480 8.937 -0.854) 17.895 19.937 ( 16.244 9.378 0.723) 18.771 21.513 ( -14.626 -8.444 -0.154) 16.889 25.461 ( -22.775 -13.149 -0.008) 26.298 25.874 ( -18.736 -10.817 -0.867) 21.652 27.839 ( -9.556 -5.517 0.076) 11.035 34.305 ( 11.528 6.656 -0.067) 13.312 35.237 ( 6.448 3.723 0.414) 7.457 37.465 ( 2.450 1.415 0.083) 2.830 37.848 ( 1.430 0.826 -0.145) 1.658 38.830 ( -7.837 -4.525 -0.063) 9.049 40.146 ( 6.152 3.552 -0.245) 7.108 ======================= Grid point 572 (200/417) ======================= q-point: ( 0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( 0.000 11.852 12.498) 17.224 0.598 ( -0.000 28.388 2.051) 28.462 0.896 ( -0.000 43.567 1.667) 43.599 1.412 ( -0.000 9.660 -1.229) 9.738 1.574 ( -0.000 24.076 -0.836) 24.090 2.809 ( -0.000 -1.571 -4.006) 4.303 3.675 ( 0.000 0.360 0.471) 0.593 3.814 ( -0.000 0.266 -0.387) 0.469 3.837 ( -0.000 6.426 -2.539) 6.909 3.966 ( -0.000 12.086 -2.479) 12.338 5.620 ( 0.000 -5.486 4.007) 6.793 6.045 ( 0.000 -5.344 1.120) 5.460 17.508 ( 0.000 -10.055 0.041) 10.055 20.681 ( -0.000 7.479 0.362) 7.488 21.116 ( 0.000 -15.989 -6.493) 17.257 24.196 ( -0.000 33.336 -16.382) 37.144 24.219 ( -0.000 10.768 0.015) 10.768 25.112 ( -0.000 123.859 -79.684) 147.277 35.533 ( 0.000 -3.293 1.325) 3.549 35.774 ( 0.000 -42.968 22.110) 48.323 37.605 ( 0.000 -1.248 -0.095) 1.252 37.903 ( -0.000 21.053 5.838) 21.847 37.956 ( 0.000 -1.212 -0.066) 1.214 39.527 ( -0.000 44.016 -52.921) 68.834 ======================= Grid point 573 (201/417) ======================= q-point: ( 0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 9.169 14.397 7.420) 18.612 1.017 ( 14.724 24.069 1.450) 28.252 1.486 ( 18.712 33.074 0.255) 38.001 1.592 ( 8.267 15.541 -0.954) 17.629 1.962 ( 14.922 25.302 -0.005) 29.374 2.777 ( -0.872 -1.307 -3.723) 4.041 3.696 ( 1.355 0.716 0.723) 1.694 3.805 ( -0.337 0.713 -0.743) 1.084 3.986 ( 7.986 7.090 -1.091) 10.735 4.090 ( 2.077 11.906 -1.623) 12.195 5.558 ( -2.282 -3.906 2.347) 5.097 5.953 ( -3.797 -6.720 0.738) 7.754 17.346 ( -6.255 -11.868 -1.606) 13.511 20.839 ( 2.974 5.426 -0.320) 6.196 20.851 ( -5.588 -10.512 -1.282) 11.974 24.288 ( 6.850 10.075 -1.431) 12.267 24.763 ( 18.542 26.534 0.521) 32.375 26.295 ( 33.874 63.691 -34.822) 80.103 35.263 ( -15.834 -27.481 8.413) 32.814 35.502 ( -2.545 -3.567 1.217) 4.547 37.586 ( -0.865 -1.327 -0.136) 1.590 37.932 ( -0.670 -1.492 0.118) 1.639 38.221 ( 10.115 18.087 6.784) 21.805 39.865 ( 9.917 17.885 -29.849) 36.182 ======================= Grid point 574 (202/417) ======================= q-point: ( 0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 13.307 13.878 3.938) 19.626 1.498 ( 15.804 20.357 1.096) 25.795 1.847 ( 9.627 14.044 -1.236) 17.071 2.190 ( 24.160 26.712 -0.282) 36.018 2.488 ( 18.747 20.930 0.535) 28.104 2.755 ( 0.560 0.224 -2.591) 2.661 3.731 ( 1.257 1.556 0.825) 2.164 3.809 ( -0.090 1.039 -0.811) 1.321 4.208 ( 8.761 7.447 1.755) 11.632 4.271 ( 7.508 10.664 -3.835) 13.594 5.478 ( -3.250 -3.856 1.827) 5.363 5.801 ( -6.138 -7.197 0.601) 9.478 17.073 ( -10.480 -13.538 -2.734) 17.338 20.494 ( -13.028 -15.163 1.850) 20.076 21.129 ( 9.397 17.190 0.186) 19.591 24.594 ( 20.424 4.393 -0.272) 20.893 25.322 ( 16.091 27.546 0.404) 31.904 27.218 ( 25.196 32.733 -9.604) 42.409 34.783 ( -15.467 -17.720 2.173) 23.621 35.413 ( -3.856 -4.497 0.755) 5.971 37.551 ( -2.045 -0.655 -0.152) 2.153 37.904 ( -1.078 -1.281 0.124) 1.679 38.552 ( 10.154 10.656 5.399) 15.678 40.065 ( 5.229 6.213 -13.990) 16.176 ======================= Grid point 575 (203/417) ======================= q-point: ( 0.38 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 14.896 12.743 1.764) 19.682 1.932 ( 13.575 17.388 0.779) 22.073 2.140 ( 9.259 13.400 -0.979) 16.317 2.731 ( 2.062 3.373 -2.650) 4.759 2.810 ( 21.213 18.239 -0.488) 27.980 3.026 ( 18.704 14.727 1.885) 23.881 3.770 ( 0.828 2.455 0.394) 2.621 3.819 ( -0.174 1.911 -0.402) 1.961 4.407 ( 6.628 6.617 0.980) 9.416 4.534 ( 12.403 9.119 -3.103) 15.704 5.389 ( -3.210 -3.555 1.896) 5.151 5.616 ( -7.493 -7.301 0.451) 10.472 16.738 ( -12.256 -14.197 -3.174) 19.022 20.135 ( -13.888 -12.983 3.382) 19.311 21.470 ( 8.972 20.298 0.003) 22.193 25.025 ( 27.790 -0.537 0.017) 27.795 25.816 ( 13.250 22.324 -0.167) 25.960 27.755 ( 11.894 17.977 -1.914) 21.640 34.418 ( -11.631 -11.148 0.189) 16.111 35.289 ( -5.157 -5.605 0.520) 7.634 37.507 ( -2.910 0.426 -0.141) 2.944 37.875 ( -1.405 -0.237 0.146) 1.433 38.782 ( 7.496 4.919 2.861) 9.412 40.104 ( -0.812 -1.551 -5.560) 5.829 ======================= Grid point 576 (204/417) ======================= q-point: ( 0.44 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 15.099 11.303 0.307) 18.864 2.288 ( 10.084 14.674 0.432) 17.810 2.403 ( 7.712 11.367 -0.703) 13.754 2.787 ( 2.070 4.049 -0.690) 4.600 3.284 ( 17.138 11.332 -2.113) 20.655 3.441 ( 15.263 9.665 2.713) 18.268 3.806 ( 0.096 3.641 -0.493) 3.675 3.842 ( -0.071 3.533 0.477) 3.566 4.553 ( 4.015 3.718 -0.449) 5.490 4.829 ( 13.017 7.618 -1.557) 15.163 5.319 ( -2.207 -3.037 1.942) 4.227 5.424 ( -6.297 -5.935 0.154) 8.654 16.389 ( -11.897 -13.857 -2.927) 18.496 19.796 ( -13.473 -10.573 3.292) 17.440 21.807 ( 6.728 21.129 -0.161) 22.174 25.488 ( 30.107 -5.762 0.078) 30.653 26.187 ( 9.416 14.853 -0.487) 17.593 28.002 ( 1.816 11.740 0.053) 11.880 34.172 ( -7.665 -6.505 -0.223) 10.056 35.139 ( -5.673 -6.287 0.298) 8.473 37.464 ( -3.399 1.761 -0.112) 3.830 37.855 ( -1.530 1.152 0.157) 1.922 38.922 ( 5.377 1.380 0.993) 5.640 40.001 ( -5.270 -6.417 -1.727) 8.481 ======================= Grid point 577 (205/417) ======================= q-point: ( 0.50 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 13.920 9.219 -0.567) 16.706 2.555 ( 6.086 12.030 0.053) 13.482 2.614 ( 5.915 8.656 -0.428) 10.493 2.875 ( 2.455 5.494 0.614) 6.049 3.592 ( 11.099 4.329 -2.622) 12.199 3.714 ( 8.714 2.066 1.968) 9.169 3.858 ( 0.856 7.215 0.255) 7.270 3.888 ( -0.070 6.206 0.570) 6.233 4.599 ( -0.363 0.142 -0.708) 0.809 5.070 ( 4.982 1.653 0.452) 5.269 5.209 ( -0.981 -2.887 -0.589) 3.106 5.393 ( 3.862 0.355 0.914) 3.985 16.072 ( -9.532 -12.479 -2.262) 15.865 19.499 ( -11.708 -7.635 2.440) 14.188 22.093 ( 3.183 20.237 -0.277) 20.487 25.903 ( 28.311 -10.758 0.043) 30.286 26.419 ( 6.048 6.755 -0.636) 9.089 28.082 ( -4.238 10.635 0.490) 11.459 34.026 ( -4.421 -3.121 -0.225) 5.416 34.986 ( -5.008 -6.362 0.137) 8.098 37.429 ( -3.556 3.131 -0.071) 4.738 37.846 ( -1.629 2.509 0.149) 2.995 39.004 ( 4.221 -0.685 -0.011) 4.276 39.820 ( -6.668 -8.412 -0.144) 10.736 ======================= Grid point 578 (206/417) ======================= q-point: ( 0.56 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 10.711 5.884 -0.806) 12.248 2.727 ( 2.056 9.467 -0.348) 9.693 2.771 ( 3.941 7.086 -0.159) 8.110 2.962 ( 1.289 4.568 1.298) 4.921 3.743 ( 5.958 -0.273 -1.777) 6.223 3.794 ( 2.049 -0.587 -0.128) 2.135 3.939 ( -1.143 8.152 -0.550) 8.250 3.983 ( 1.931 6.736 2.265) 7.364 4.566 ( -1.859 -1.251 -0.477) 2.291 4.964 ( -5.966 -5.355 0.699) 8.047 5.342 ( 8.287 2.105 -0.363) 8.558 5.488 ( 5.573 0.554 0.297) 5.608 15.831 ( -5.266 -10.052 -1.473) 11.443 19.274 ( -8.458 -4.223 1.417) 9.559 22.298 ( -1.160 18.286 -0.339) 18.326 26.220 ( 23.407 -13.654 -0.056) 27.098 26.525 ( 4.172 -2.091 -0.687) 4.717 28.093 ( -7.221 12.146 0.539) 14.140 33.953 ( -2.223 -0.782 -0.200) 2.365 34.858 ( -2.986 -5.704 0.087) 6.439 37.405 ( -3.470 4.286 -0.023) 5.514 37.847 ( -1.873 3.519 0.118) 3.988 39.057 ( 3.693 -1.862 -0.469) 4.162 39.637 ( -5.003 -8.059 0.480) 9.498 ======================= Grid point 579 (207/417) ======================= q-point: ( 0.62 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 4.644 1.030 -0.569) 4.791 2.808 ( -1.812 7.181 -0.668) 7.436 2.881 ( 0.173 7.747 0.090) 7.750 2.998 ( -0.165 0.268 1.192) 1.233 3.798 ( 1.863 -1.933 -1.575) 3.113 3.814 ( 1.755 0.059 0.661) 1.877 3.982 ( -2.917 8.064 -0.806) 8.613 4.042 ( -1.750 4.162 1.311) 4.702 4.531 ( -0.678 -0.973 -0.448) 1.268 4.854 ( -1.743 -3.121 0.813) 3.666 5.455 ( 4.160 -0.833 0.296) 4.253 5.561 ( 3.099 -1.460 -0.308) 3.439 15.705 ( 0.442 -6.803 -0.787) 6.863 19.147 ( -3.890 -0.693 0.568) 3.992 22.404 ( -5.875 15.789 -0.356) 16.850 26.425 ( 16.533 -12.950 -0.200) 21.002 26.521 ( 3.519 -11.534 -0.662) 12.077 28.089 ( -8.255 13.800 0.491) 16.088 33.926 ( -1.001 0.544 -0.232) 1.163 34.785 ( 0.197 -4.243 0.143) 4.250 37.395 ( -3.196 5.042 0.024) 5.969 37.850 ( -2.231 3.974 0.071) 4.558 39.090 ( 2.885 -2.780 -0.624) 4.055 39.518 ( -0.675 -5.828 0.688) 5.907 ======================= Grid point 580 (208/417) ======================= q-point: (-0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( -3.409 -3.553 -0.704) 4.974 2.803 ( -5.662 5.111 -0.799) 7.669 2.898 ( -6.905 6.102 0.651) 9.238 2.988 ( 0.543 -2.175 0.815) 2.385 3.790 ( 0.478 -2.547 -0.942) 2.757 3.835 ( 0.459 -0.820 0.629) 1.131 3.984 ( -5.426 6.044 -0.925) 8.174 4.029 ( -3.817 3.735 0.960) 5.426 4.525 ( 0.858 -0.152 -0.694) 1.114 4.857 ( 3.590 -0.037 0.946) 3.713 5.465 ( -0.613 -3.577 0.806) 3.718 5.553 ( -0.967 -3.809 -0.797) 4.010 15.715 ( 6.659 -3.257 -0.364) 7.422 19.136 ( 1.463 2.452 0.080) 2.856 22.404 ( -10.659 13.055 -0.343) 16.857 26.418 ( 3.006 -20.827 -0.521) 21.049 26.527 ( 8.176 -8.720 -0.406) 11.960 28.087 ( -7.987 13.913 0.443) 16.049 33.925 ( 0.006 1.119 -0.272) 1.151 34.787 ( 3.704 -2.216 0.227) 4.323 37.396 ( -2.704 5.337 0.062) 5.983 37.849 ( -2.439 3.844 0.017) 4.552 39.091 ( 1.080 -3.804 -0.602) 4.000 39.518 ( 5.284 -2.409 0.678) 5.847 ======================= Grid point 581 (209/417) ======================= q-point: (-0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( -10.781 -6.249 -1.319) 12.531 2.713 ( -9.585 3.065 -0.759) 10.091 2.798 ( -8.669 1.212 0.743) 8.785 2.959 ( -3.072 -0.329 1.252) 3.333 3.752 ( -1.569 -4.567 -1.215) 4.980 3.808 ( -1.638 -3.256 0.278) 3.656 3.923 ( -6.652 4.228 -0.652) 7.909 3.980 ( -7.066 3.243 1.549) 7.927 4.559 ( 2.518 1.197 -0.808) 2.903 4.962 ( 6.867 2.056 0.672) 7.200 5.374 ( -4.896 -5.527 1.209) 7.483 5.461 ( -4.081 -4.974 -1.128) 6.532 15.859 ( 12.237 -0.064 -0.288) 12.241 19.242 ( 6.861 4.771 0.037) 8.357 22.298 ( -15.231 10.245 -0.311) 18.358 26.213 ( 0.239 -27.160 -0.381) 27.163 26.528 ( -0.408 -4.443 -0.541) 4.495 28.090 ( -6.986 12.166 0.419) 14.035 33.951 ( 1.861 1.568 -0.265) 2.448 34.862 ( 6.443 -0.269 0.274) 6.455 37.408 ( -1.933 5.203 0.083) 5.551 37.844 ( -2.194 3.310 -0.030) 3.972 39.055 ( -0.437 -4.171 -0.559) 4.231 39.640 ( 9.744 0.361 0.620) 9.770 ======================= Grid point 582 (210/417) ======================= q-point: (-0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( -15.473 -7.214 -1.611) 17.148 2.536 ( -13.683 0.905 -0.643) 13.728 2.640 ( -10.792 -0.323 0.632) 10.815 2.890 ( -4.622 -0.344 1.415) 4.846 3.606 ( -9.404 -6.759 -2.379) 11.823 3.698 ( -7.027 -7.378 1.819) 10.349 3.857 ( -5.504 2.497 -0.065) 6.044 3.887 ( -6.061 3.789 0.585) 7.171 4.600 ( 0.256 0.398 -0.719) 0.861 5.066 ( -0.764 -1.678 0.505) 1.912 5.253 ( 0.554 -2.130 0.531) 2.264 5.348 ( -3.043 -3.408 -0.407) 4.587 16.112 ( 16.251 2.250 -0.564) 16.416 19.452 ( 11.648 6.053 0.425) 13.134 22.093 ( -19.153 7.465 -0.263) 20.558 25.896 ( -4.705 -29.968 -0.242) 30.336 26.420 ( -9.051 -1.563 -0.605) 9.205 28.080 ( -6.987 8.869 0.391) 11.297 34.026 ( 5.041 2.346 -0.229) 5.565 34.990 ( 7.910 1.058 0.301) 7.986 37.432 ( -0.915 4.693 0.084) 4.782 37.842 ( -1.403 2.618 -0.063) 2.971 38.994 ( -2.070 -4.116 -0.475) 4.632 39.835 ( 11.406 1.762 0.477) 11.551 ======================= Grid point 583 (211/417) ======================= q-point: (-0.12 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -18.048 -7.014 -1.296) 19.407 2.268 ( -17.911 -1.213 -0.450) 17.958 2.429 ( -13.779 -0.895 0.425) 13.815 2.818 ( -3.452 -0.411 0.951) 3.604 3.292 ( -18.592 -8.550 -1.973) 20.559 3.422 ( -16.061 -9.085 2.052) 18.566 3.794 ( -3.930 1.509 -0.711) 4.270 3.854 ( -2.455 2.187 0.663) 3.354 4.538 ( -6.364 -2.250 -0.970) 6.819 4.878 ( -11.626 -6.810 0.617) 13.488 5.314 ( 2.214 -0.101 -1.660) 2.769 5.394 ( 9.503 2.947 1.952) 10.139 16.431 ( 18.271 3.440 -1.098) 18.624 19.744 ( 15.504 6.335 1.089) 16.783 21.806 ( -21.749 4.836 -0.190) 22.281 25.482 ( -9.956 -28.991 -0.154) 30.653 26.184 ( -17.877 -0.408 -0.597) 17.892 28.006 ( -10.427 4.339 0.221) 11.296 34.174 ( 9.489 3.427 -0.174) 10.090 35.140 ( 8.134 1.600 0.359) 8.297 37.468 ( 0.171 3.847 0.061) 3.851 37.849 ( -0.239 1.897 -0.076) 1.914 38.897 ( -4.841 -4.090 -0.095) 6.338 40.037 ( 9.918 1.719 -0.133) 10.067 ======================= Grid point 589 (212/417) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -0.000 17.345 6.266) 18.442 1.140 ( -0.000 26.477 1.108) 26.500 1.652 ( -0.000 14.770 -1.045) 14.806 1.718 ( -0.000 40.134 0.328) 40.136 2.126 ( -0.000 30.904 0.303) 30.906 2.764 ( -0.000 -1.075 -3.691) 3.844 3.688 ( 0.000 0.856 0.356) 0.927 3.818 ( -0.000 0.360 -0.285) 0.459 3.994 ( -0.000 10.319 -1.401) 10.413 4.202 ( -0.000 12.945 -1.028) 12.985 5.539 ( 0.000 -4.789 2.506) 5.405 5.912 ( 0.000 -8.347 0.399) 8.356 17.268 ( 0.000 -14.235 -2.205) 14.405 20.741 ( 0.000 -19.700 -0.700) 19.712 20.889 ( -0.000 13.344 0.277) 13.347 24.519 ( -0.000 19.595 0.042) 19.595 24.768 ( -0.000 31.764 -1.517) 31.800 26.600 ( -0.000 60.886 -23.496) 65.263 35.118 ( 0.000 -29.713 5.880) 30.290 35.487 ( 0.000 -4.638 1.181) 4.786 37.570 ( 0.000 -2.253 -0.100) 2.255 37.924 ( 0.000 -1.957 -0.033) 1.957 38.341 ( -0.000 18.990 7.117) 20.280 39.917 ( -0.000 18.308 -24.644) 30.700 ======================= Grid point 590 (213/417) ======================= q-point: ( 0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 6.545 17.312 4.022) 18.940 1.489 ( 10.586 23.420 0.936) 25.719 1.857 ( 6.411 15.872 -1.068) 17.151 2.188 ( 10.980 33.800 -0.423) 35.541 2.499 ( 8.491 28.363 1.004) 29.623 2.749 ( -0.196 0.134 -2.977) 2.986 3.717 ( 1.895 1.186 0.473) 2.285 3.821 ( -0.046 1.056 -0.489) 1.164 4.152 ( 6.150 10.006 -0.458) 11.753 4.330 ( 0.731 13.211 -1.623) 13.331 5.481 ( -1.709 -4.976 2.317) 5.749 5.801 ( -3.039 -8.892 0.230) 9.400 17.063 ( -6.055 -15.901 -2.854) 17.253 20.495 ( -6.304 -18.655 1.826) 19.776 21.128 ( 10.294 16.652 0.173) 19.577 24.587 ( -6.036 19.953 -0.373) 20.850 25.303 ( 17.960 27.731 0.123) 33.040 27.211 ( 14.932 39.344 -9.526) 43.147 34.789 ( -7.869 -22.623 2.219) 24.055 35.419 ( -2.372 -5.470 0.837) 6.021 37.552 ( 0.329 -2.021 -0.137) 2.052 37.901 ( -0.328 -1.691 0.091) 1.724 38.559 ( 4.266 13.329 5.590) 15.070 40.046 ( 2.445 9.426 -14.283) 17.287 ======================= Grid point 591 (214/417) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 10.212 15.898 2.099) 19.011 1.905 ( 12.458 20.473 0.811) 23.979 2.138 ( 8.234 15.488 -1.165) 17.579 2.687 ( 12.822 21.852 -2.443) 25.454 2.764 ( 2.233 5.735 -0.653) 6.189 2.928 ( 12.525 21.309 1.815) 24.784 3.771 ( 2.282 2.241 0.567) 3.248 3.838 ( 0.356 2.205 -0.662) 2.330 4.363 ( 7.550 7.886 1.080) 10.971 4.487 ( 4.098 12.704 -3.155) 13.716 5.401 ( -2.523 -4.789 2.261) 5.866 5.645 ( -5.167 -8.906 0.146) 10.297 16.762 ( -9.622 -16.832 -3.168) 19.646 20.196 ( -9.304 -16.348 3.286) 19.096 21.515 ( 12.478 21.479 -0.005) 24.840 24.750 ( 6.912 11.517 -0.082) 13.432 25.811 ( 13.227 22.051 -0.148) 25.715 27.744 ( 12.949 22.871 -2.458) 26.397 34.465 ( -8.657 -14.975 0.349) 17.300 35.307 ( -4.066 -6.635 0.579) 7.803 37.540 ( -0.364 -0.433 -0.171) 0.591 37.885 ( -0.165 -0.583 0.183) 0.633 38.741 ( 4.439 6.963 3.214) 8.861 40.091 ( -0.470 0.163 -6.470) 6.489 ======================= Grid point 592 (215/417) ======================= q-point: ( 0.44 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 11.974 14.025 0.661) 18.453 2.288 ( 10.180 18.306 0.636) 20.956 2.404 ( 6.719 13.085 -1.313) 14.767 2.807 ( 1.869 6.124 -0.634) 6.435 3.139 ( 14.025 15.282 -1.785) 20.819 3.317 ( 12.385 13.543 2.492) 18.521 3.836 ( 1.599 4.365 0.198) 4.653 3.876 ( 0.835 4.216 -0.303) 4.308 4.530 ( 4.186 5.431 0.404) 6.869 4.711 ( 9.442 10.093 -2.482) 14.041 5.323 ( -1.988 -4.098 2.305) 5.105 5.463 ( -6.141 -8.217 -0.068) 10.258 16.418 ( -10.554 -16.950 -2.971) 20.186 19.890 ( -10.436 -13.368 3.365) 17.290 21.932 ( 8.908 26.101 -0.173) 27.580 25.021 ( 17.623 0.542 0.079) 17.631 26.168 ( 8.772 13.617 -0.487) 16.205 28.077 ( 5.730 14.948 -0.143) 16.009 34.219 ( -6.708 -8.996 -0.185) 11.224 35.161 ( -5.054 -7.660 0.349) 9.184 37.531 ( -1.539 2.024 -0.157) 2.547 37.886 ( -0.285 1.293 0.203) 1.339 38.857 ( 3.832 2.042 1.304) 4.533 40.009 ( -4.174 -6.673 -2.304) 8.201 ======================= Grid point 593 (216/417) ======================= q-point: ( 0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 12.188 11.709 -0.259) 16.903 2.591 ( 6.000 12.682 0.293) 14.032 2.609 ( 5.357 12.082 -1.096) 13.262 2.923 ( 1.872 10.343 0.785) 10.540 3.451 ( 10.816 6.870 -2.288) 13.016 3.597 ( 9.152 5.200 2.188) 10.751 3.917 ( 1.354 7.735 0.124) 7.853 3.950 ( 1.150 7.290 0.119) 7.381 4.606 ( 0.478 1.911 -0.502) 2.032 4.960 ( 10.208 6.096 -0.904) 11.925 5.225 ( -5.165 -7.300 0.792) 8.978 5.345 ( 0.649 -2.210 0.690) 2.404 16.082 ( -9.248 -16.150 -2.382) 18.762 19.609 ( -10.226 -9.696 2.633) 14.336 22.301 ( 2.945 28.954 -0.277) 29.105 25.332 ( 24.060 -9.454 0.103) 25.851 26.368 ( 5.175 3.866 -0.652) 6.493 28.249 ( -0.557 12.800 0.435) 12.820 34.063 ( -4.238 -4.447 -0.226) 6.147 34.997 ( -4.997 -8.283 0.163) 9.675 37.527 ( -2.763 4.710 -0.103) 5.462 37.901 ( -0.759 3.501 0.180) 3.587 38.923 ( 3.644 -1.411 0.187) 3.912 39.831 ( -6.035 -10.430 -0.440) 12.058 ======================= Grid point 594 (217/417) ======================= q-point: ( 0.56 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 10.556 8.634 -0.553) 13.648 2.744 ( 5.015 4.604 -0.303) 6.815 2.817 ( 1.876 14.298 -0.293) 14.424 3.048 ( -0.715 11.694 1.186) 11.775 3.635 ( 7.146 1.733 -1.962) 7.611 3.736 ( 4.513 0.247 0.845) 4.598 4.031 ( 1.304 9.533 0.703) 9.647 4.047 ( 0.348 9.387 0.231) 9.397 4.591 ( -2.300 -0.582 -0.452) 2.415 5.007 ( -5.705 -6.623 0.760) 8.775 5.208 ( 8.883 1.376 -0.720) 9.018 5.393 ( 5.173 -0.890 0.528) 5.275 15.799 ( -5.893 -14.305 -1.647) 15.559 19.378 ( -8.696 -5.571 1.658) 10.460 22.582 ( -3.439 29.513 -0.312) 29.714 25.633 ( 26.194 -16.017 0.062) 30.703 26.421 ( 2.737 -5.884 -0.734) 6.531 28.330 ( -4.583 13.327 0.513) 14.102 33.983 ( -2.290 -1.031 -0.186) 2.519 34.842 ( -3.554 -8.340 0.068) 9.066 37.529 ( -3.872 7.057 -0.033) 8.050 37.926 ( -1.621 5.490 0.132) 5.725 38.960 ( 3.969 -3.672 -0.364) 5.419 39.625 ( -5.159 -11.520 0.335) 12.627 ======================= Grid point 595 (218/417) ======================= q-point: ( 0.62 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 6.349 4.523 -0.201) 7.798 2.860 ( 4.951 1.757 0.116) 5.255 2.942 ( -2.040 11.987 -0.637) 12.176 3.114 ( -4.654 10.574 0.757) 11.578 3.733 ( 4.082 -0.165 -1.668) 4.412 3.786 ( 2.099 -0.398 0.606) 2.221 4.120 ( -2.153 10.426 -0.660) 10.667 4.133 ( -1.316 8.168 1.482) 8.405 4.540 ( -2.028 -1.108 -0.363) 2.340 4.856 ( -3.669 -5.904 0.637) 6.981 5.348 ( 6.962 -1.524 0.085) 7.127 5.469 ( 5.128 -2.709 -0.118) 5.801 15.613 ( -0.797 -11.478 -0.989) 11.548 19.223 ( -5.813 -1.537 0.810) 6.067 22.753 ( -9.368 28.169 -0.304) 29.687 25.892 ( 24.373 -18.931 0.056) 30.861 26.358 ( 2.073 -13.876 -0.826) 14.054 28.366 ( -6.911 14.158 0.461) 15.761 33.955 ( -1.383 1.185 -0.197) 1.832 34.728 ( -0.565 -7.581 0.081) 7.602 37.533 ( -4.739 8.607 0.034) 9.825 37.949 ( -2.826 6.715 0.071) 7.286 38.987 ( 4.318 -5.017 -0.597) 6.646 39.457 ( -1.617 -10.487 0.641) 10.630 ======================= Grid point 596 (219/417) ======================= q-point: (-0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( -0.194 0.112 0.109) 0.249 2.927 ( 2.176 -1.815 0.805) 2.946 2.982 ( -5.167 9.030 -1.046) 10.456 3.109 ( -7.546 10.807 -0.031) 13.181 3.758 ( 0.805 -1.652 -1.630) 2.456 3.816 ( 1.406 -0.454 1.122) 1.855 4.148 ( -5.479 6.496 0.476) 8.512 4.163 ( -4.700 10.273 -0.108) 11.298 4.511 ( -0.094 -0.749 -0.439) 0.874 4.797 ( 1.918 -3.010 0.803) 3.659 5.405 ( 3.125 -4.421 0.609) 5.448 5.496 ( 2.392 -5.035 -0.620) 5.609 15.553 ( 5.315 -8.046 -0.567) 9.659 19.161 ( -1.734 1.762 0.298) 2.490 22.812 ( -14.726 25.662 -0.280) 29.589 26.032 ( 13.811 -24.772 0.111) 28.362 26.279 ( 8.340 -13.504 -0.934) 15.900 28.376 ( -8.297 14.099 0.399) 16.364 33.950 ( -1.191 1.980 -0.241) 2.323 34.686 ( 3.433 -5.734 0.148) 6.685 37.536 ( -5.186 9.091 0.082) 10.466 37.958 ( -4.005 6.764 0.015) 7.861 39.001 ( 3.587 -5.937 -0.643) 6.966 39.389 ( 4.204 -7.548 0.711) 8.669 ======================= Grid point 597 (220/417) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( -7.338 -3.142 -0.356) 7.990 2.890 ( -3.180 -3.526 1.045) 4.861 2.936 ( -9.290 7.018 -0.922) 11.679 3.087 ( -7.412 9.695 0.009) 12.204 3.734 ( -0.841 -2.831 -1.209) 3.191 3.808 ( -1.245 -2.464 0.813) 2.878 4.091 ( -7.677 5.336 -0.160) 9.351 4.151 ( -7.246 7.222 0.688) 10.254 4.528 ( 2.126 1.063 -0.694) 2.476 4.860 ( 6.565 0.006 0.754) 6.609 5.371 ( -1.205 -6.214 0.935) 6.399 5.448 ( -1.044 -6.249 -0.921) 6.402 15.632 ( 11.349 -4.617 -0.469) 12.262 19.200 ( 3.110 3.833 0.218) 4.940 22.755 ( -19.630 22.330 -0.257) 29.733 25.884 ( 4.104 -30.581 -0.173) 30.855 26.365 ( 11.122 -8.575 -0.636) 14.058 28.363 ( -8.989 12.902 0.371) 15.729 33.953 ( -0.318 1.784 -0.246) 1.829 34.732 ( 6.932 -3.249 0.184) 7.658 37.535 ( -5.015 8.480 0.097) 9.852 37.946 ( -4.514 5.700 -0.013) 7.271 38.988 ( 2.171 -6.150 -0.573) 6.547 39.457 ( 9.928 -3.939 0.630) 10.699 ======================= Grid point 598 (221/417) ======================= q-point: (-0.19 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( -13.172 -4.455 -0.929) 13.936 2.781 ( -6.319 -2.094 0.774) 6.702 2.802 ( -13.442 5.148 -0.714) 14.411 3.029 ( -8.923 6.308 0.701) 10.950 3.658 ( -4.329 -4.364 -1.725) 6.384 3.730 ( -4.067 -4.878 1.207) 6.465 4.004 ( -7.881 4.023 0.061) 8.849 4.065 ( -9.210 4.353 0.531) 10.201 4.586 ( 2.268 1.917 -0.636) 3.036 4.996 ( 7.584 1.123 0.528) 7.684 5.255 ( -4.388 -6.584 0.435) 7.924 5.355 ( -2.510 -5.011 -0.360) 5.616 15.834 ( 16.222 -1.799 -0.709) 16.337 19.337 ( 8.116 4.519 0.574) 9.307 22.584 ( -23.838 17.892 -0.239) 29.807 25.625 ( 0.809 -30.640 -0.171) 30.652 26.428 ( 3.703 -5.095 -0.558) 6.323 28.324 ( -9.312 10.472 0.370) 14.018 33.982 ( 2.164 1.547 -0.216) 2.669 34.847 ( 8.933 -1.169 0.186) 9.011 37.533 ( -4.140 6.938 0.076) 8.080 37.920 ( -4.005 4.074 -0.008) 5.713 38.957 ( 0.837 -5.208 -0.453) 5.294 39.630 ( 13.019 -1.347 0.466) 13.097 ======================= Grid point 599 (222/417) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( -16.879 -3.974 -0.899) 17.364 2.580 ( -17.534 2.981 -0.313) 17.788 2.638 ( -9.886 -0.353 0.078) 9.892 2.923 ( -8.516 2.774 0.923) 9.004 3.478 ( -11.572 -4.927 -2.370) 12.798 3.568 ( -9.710 -6.289 2.235) 11.782 3.908 ( -7.101 2.511 -0.117) 7.533 3.959 ( -6.958 2.890 0.308) 7.541 4.602 ( -2.347 0.318 -0.611) 2.445 4.991 ( -8.152 -4.915 0.236) 9.522 5.237 ( 7.324 -0.020 -1.933) 7.575 5.302 ( 1.454 -1.442 2.264) 3.053 16.126 ( 19.242 0.015 -1.217) 19.280 19.557 ( 12.711 3.986 1.267) 13.382 22.304 ( -26.623 12.077 -0.209) 29.235 25.325 ( -3.770 -25.447 -0.085) 25.725 26.374 ( -6.059 -2.263 -0.512) 6.488 28.245 ( -10.600 6.751 0.324) 12.572 34.064 ( 6.089 1.557 -0.195) 6.288 34.999 ( 9.516 -0.002 0.211) 9.518 37.532 ( -2.689 4.746 0.020) 5.455 37.895 ( -2.671 2.411 0.023) 3.598 38.910 ( -1.323 -3.704 -0.147) 3.936 39.849 ( 13.143 -0.095 0.031) 13.144 ======================= Grid point 606 (223/417) ======================= q-point: ( 0.31 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -0.000 18.715 3.155) 18.979 1.624 ( -0.000 22.876 0.759) 22.888 1.950 ( -0.000 15.762 -0.822) 15.783 2.437 ( -0.000 33.570 -0.906) 33.582 2.705 ( -0.000 19.573 -0.126) 19.574 2.767 ( -0.000 10.847 -1.100) 10.902 3.710 ( -0.000 1.238 0.221) 1.258 3.825 ( -0.000 0.427 -0.159) 0.456 4.210 ( -0.000 11.795 -0.485) 11.805 4.456 ( -0.000 13.825 -1.689) 13.927 5.449 ( 0.000 -5.489 2.492) 6.028 5.735 ( 0.000 -9.695 0.021) 9.695 16.950 ( 0.000 -17.008 -3.112) 17.290 20.363 ( 0.000 -19.615 2.679) 19.797 21.184 ( -0.000 16.503 0.125) 16.504 24.958 ( -0.000 25.011 0.077) 25.011 25.365 ( -0.000 28.915 -0.208) 28.916 27.422 ( -0.000 31.411 -5.518) 31.892 34.638 ( 0.000 -21.119 1.131) 21.150 35.384 ( 0.000 -6.380 0.736) 6.423 37.520 ( 0.000 -2.801 -0.114) 2.804 37.884 ( 0.000 -2.059 0.057) 2.059 38.665 ( -0.000 11.986 4.570) 12.828 40.087 ( -0.000 6.501 -10.296) 12.177 ======================= Grid point 607 (224/417) ======================= q-point: ( 0.38 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 4.615 18.188 1.991) 18.870 1.917 ( 8.827 20.116 0.679) 21.978 2.156 ( 6.276 15.062 -0.889) 16.342 2.743 ( 1.874 8.574 -3.314) 9.381 2.803 ( 4.445 21.586 0.161) 22.040 3.037 ( 3.586 25.355 1.797) 25.671 3.746 ( 2.476 1.661 0.229) 2.990 3.840 ( 1.140 1.084 -0.239) 1.591 4.353 ( 3.708 10.242 0.082) 10.893 4.587 ( 0.094 14.171 -2.258) 14.350 5.389 ( -1.339 -5.304 2.484) 6.008 5.618 ( -2.535 -9.752 -0.060) 10.077 16.723 ( -6.029 -17.535 -3.171) 18.812 20.145 ( -4.138 -18.498 3.365) 19.251 21.468 ( 13.185 17.806 0.004) 22.156 25.020 ( -14.370 23.848 0.016) 27.843 25.799 ( 13.612 22.767 -0.162) 26.527 27.754 ( 9.442 19.903 -1.900) 22.111 34.419 ( -3.918 -15.966 0.192) 16.441 35.298 ( -2.544 -7.239 0.518) 7.690 37.509 ( 1.751 -2.259 -0.145) 2.862 37.871 ( 0.652 -1.366 0.150) 1.522 38.781 ( 0.797 8.140 2.866) 8.666 40.097 ( -1.236 -0.101 -5.561) 5.697 ======================= Grid point 608 (225/417) ======================= q-point: ( 0.44 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 7.518 16.568 0.915) 18.217 2.280 ( 11.564 17.505 0.647) 20.990 2.412 ( 7.054 12.883 -1.327) 14.747 2.819 ( 3.250 5.405 -0.822) 6.360 3.125 ( 6.945 19.091 -1.407) 20.364 3.329 ( 4.979 18.052 2.137) 18.848 3.825 ( 4.002 3.353 0.250) 5.227 3.887 ( 2.274 3.143 -0.355) 3.896 4.509 ( 4.509 6.356 0.426) 7.804 4.731 ( 1.808 13.458 -2.513) 13.809 5.317 ( -1.884 -4.704 2.401) 5.608 5.467 ( -4.320 -8.865 -0.146) 9.863 16.412 ( -9.368 -17.531 -2.895) 20.086 19.895 ( -6.185 -15.876 3.304) 17.355 21.930 ( 18.264 20.682 -0.152) 27.592 25.018 ( -8.075 15.411 0.117) 17.399 26.163 ( 7.845 14.237 -0.414) 16.261 28.079 ( 9.913 12.631 -0.169) 16.057 34.218 ( -4.388 -10.418 -0.167) 11.305 35.165 ( -4.404 -8.098 0.299) 9.223 37.533 ( 2.382 -0.236 -0.178) 2.400 37.884 ( 1.456 0.325 0.228) 1.509 38.854 ( 0.358 3.924 1.342) 4.162 40.011 ( -4.230 -6.414 -2.326) 8.027 ======================= Grid point 609 (226/417) ======================= q-point: ( 0.50 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 8.982 14.271 0.109) 16.863 2.594 ( 5.053 9.100 -0.830) 10.442 2.637 ( 8.662 14.983 -0.037) 17.306 2.973 ( 5.458 10.303 0.559) 11.673 3.379 ( 6.512 10.323 -1.825) 12.342 3.546 ( 4.680 8.813 1.866) 10.151 3.944 ( 4.172 6.577 0.363) 7.797 3.981 ( 3.301 6.601 -0.299) 7.387 4.610 ( 2.007 2.375 0.009) 3.110 4.898 ( 4.785 9.817 -1.662) 11.047 5.228 ( -3.626 -7.458 1.374) 8.406 5.334 ( -2.428 -3.641 0.398) 4.394 16.074 ( -9.784 -16.919 -2.334) 19.683 19.654 ( -6.843 -12.073 2.636) 14.126 22.441 ( 14.839 25.592 -0.258) 29.584 25.054 ( 1.894 2.961 0.171) 3.519 26.338 ( 2.643 4.227 -0.564) 5.018 28.321 ( 5.755 10.157 0.362) 11.680 34.076 ( -3.124 -5.569 -0.189) 6.388 35.000 ( -5.257 -8.832 0.119) 10.279 37.580 ( 1.599 2.965 -0.162) 3.373 37.926 ( 1.650 2.676 0.237) 3.152 38.879 ( 0.346 0.051 0.347) 0.493 39.831 ( -6.484 -10.657 -0.638) 12.491 ======================= Grid point 610 (227/417) ======================= q-point: ( 0.56 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 8.891 11.370 -0.253) 14.436 2.712 ( 3.262 4.246 -0.611) 5.389 2.910 ( 5.113 14.900 0.294) 15.755 3.165 ( 2.788 12.874 0.691) 13.191 3.544 ( 5.763 4.025 -1.711) 7.234 3.670 ( 3.885 2.091 1.016) 4.527 4.084 ( 3.234 8.638 0.843) 9.262 4.116 ( 3.027 9.551 -0.392) 10.027 4.625 ( -1.378 0.322 -0.187) 1.428 5.022 ( -1.703 -3.554 0.575) 3.983 5.103 ( 2.507 -0.932 -0.987) 2.851 5.319 ( 2.028 -1.207 0.738) 2.473 15.762 ( -7.704 -15.460 -1.651) 17.352 19.449 ( -6.530 -7.542 1.737) 10.126 22.893 ( 5.380 31.223 -0.273) 31.684 25.147 ( 12.900 -9.089 0.130) 15.780 26.340 ( -0.805 -6.209 -0.615) 6.291 28.477 ( 1.218 10.144 0.442) 10.227 34.004 ( -1.519 -1.523 -0.130) 2.155 34.825 ( -4.801 -9.307 0.010) 10.473 37.639 ( -0.257 6.583 -0.088) 6.589 37.988 ( 0.963 5.193 0.184) 5.285 38.875 ( 1.295 -3.264 -0.203) 3.517 39.603 ( -6.545 -12.710 0.137) 14.297 ======================= Grid point 611 (228/417) ======================= q-point: ( 0.62 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 6.670 7.828 -0.015) 10.284 2.796 ( 3.634 1.253 -0.158) 3.848 3.090 ( -0.059 13.269 0.094) 13.269 3.295 ( -2.268 12.491 0.113) 12.696 3.656 ( 4.930 1.293 -1.424) 5.292 3.736 ( 3.172 -0.461 0.593) 3.260 4.213 ( 1.526 8.657 1.221) 8.875 4.250 ( 0.616 11.372 -0.542) 11.402 4.584 ( -3.422 0.415 -0.121) 3.450 4.866 ( -5.163 -7.720 0.411) 9.296 5.211 ( 6.838 -1.151 -0.268) 6.939 5.355 ( 4.193 -3.310 0.167) 5.345 15.524 ( -3.521 -13.027 -1.031) 13.533 19.300 ( -5.332 -3.042 0.928) 6.208 23.208 ( -5.984 34.509 -0.215) 35.025 25.316 ( 21.488 -15.935 0.054) 26.752 26.203 ( -1.930 -15.971 -0.649) 16.100 28.568 ( -2.287 10.557 0.393) 10.809 33.988 ( -0.682 1.652 -0.116) 1.791 34.669 ( -2.600 -9.350 -0.005) 9.705 37.693 ( -2.763 9.640 0.015) 10.028 38.052 ( -0.704 7.195 0.093) 7.230 38.866 ( 2.997 -5.619 -0.480) 6.386 39.386 ( -3.869 -13.007 0.484) 13.579 ======================= Grid point 612 (229/417) ======================= q-point: ( 0.69 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 1.825 3.814 0.581) 4.268 2.854 ( 3.304 -1.784 -0.168) 3.759 3.170 ( -4.290 11.171 -0.074) 11.967 3.337 ( -6.080 11.509 -0.602) 13.030 3.719 ( 2.190 -0.577 -1.726) 2.848 3.780 ( 2.587 -0.642 1.188) 2.918 4.293 ( -2.565 8.085 0.940) 8.534 4.347 ( -2.878 12.293 -0.186) 12.627 4.529 ( -3.183 0.504 -0.221) 3.230 4.743 ( -0.760 -5.878 0.412) 5.941 5.286 ( 5.371 -4.837 0.363) 7.237 5.382 ( 4.155 -6.058 -0.397) 7.357 15.398 ( 2.163 -9.812 -0.619) 10.067 19.217 ( -3.149 0.542 0.409) 3.222 23.361 ( -15.044 33.785 -0.150) 36.983 25.528 ( 20.755 -17.801 0.090) 27.343 26.002 ( 2.641 -21.954 -0.762) 22.125 28.610 ( -4.859 10.346 0.332) 11.435 33.999 ( -1.357 3.338 -0.160) 3.607 34.572 ( 1.681 -8.317 0.051) 8.485 37.728 ( -5.263 11.071 0.101) 12.259 38.095 ( -3.153 7.779 -0.000) 8.394 38.867 ( 4.242 -6.652 -0.604) 7.912 39.245 ( 1.720 -11.434 0.641) 11.581 ======================= Grid point 613 (230/417) ======================= q-point: (-0.25 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( -4.398 0.189 0.512) 4.431 2.863 ( 0.878 -3.637 -0.026) 3.741 3.166 ( -7.881 8.990 -0.081) 11.955 3.326 ( -7.885 10.916 -0.772) 13.488 3.718 ( -0.202 -1.920 -1.347) 2.354 3.798 ( 0.179 -1.974 1.010) 2.225 4.275 ( -7.342 5.662 0.576) 9.290 4.365 ( -8.233 9.239 0.166) 12.376 4.515 ( 0.693 2.265 -0.413) 2.404 4.748 ( 5.559 -2.142 0.486) 5.977 5.299 ( 2.509 -6.410 0.709) 6.920 5.370 ( 2.295 -7.158 -0.728) 7.552 15.407 ( 8.376 -6.321 -0.500) 10.506 19.207 ( 0.091 2.569 0.281) 2.586 23.362 ( -21.586 30.038 -0.130) 36.990 25.522 ( 4.703 -27.042 0.007) 27.448 26.008 ( 18.140 -12.945 -0.677) 22.296 28.607 ( -6.775 9.220 0.304) 11.446 33.997 ( -2.281 2.787 -0.178) 3.606 34.574 ( 6.543 -5.493 0.083) 8.543 37.729 ( -6.850 10.166 0.121) 12.259 38.093 ( -5.325 6.482 -0.029) 8.389 38.870 ( 3.859 -6.741 -0.581) 7.789 39.243 ( 8.834 -7.443 0.621) 11.568 ======================= Grid point 614 (231/417) ======================= q-point: (-0.19 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( -10.174 -1.716 -0.158) 10.319 2.818 ( -2.123 -3.088 0.155) 3.751 3.077 ( -11.698 6.361 0.039) 13.316 3.274 ( -9.964 8.798 -0.239) 13.295 3.674 ( -2.190 -2.532 -1.259) 3.576 3.747 ( -2.773 -3.923 0.889) 4.885 4.184 ( -8.522 3.661 0.461) 9.286 4.271 ( -10.023 4.364 0.040) 10.932 4.572 ( 1.886 3.518 -0.323) 4.005 4.864 ( 8.557 0.177 0.465) 8.571 5.246 ( -1.548 -6.274 0.195) 6.465 5.326 ( 0.146 -5.299 -0.229) 5.306 15.550 ( 13.976 -3.192 -0.696) 14.353 19.271 ( 4.227 2.912 0.564) 5.164 23.212 ( -26.807 22.574 -0.161) 35.046 25.308 ( 3.013 -26.485 -0.055) 26.656 26.212 ( 14.907 -6.111 -0.526) 16.119 28.562 ( -8.175 7.094 0.317) 10.828 33.986 ( -1.006 1.482 -0.141) 1.796 34.674 ( 9.389 -2.451 0.054) 9.704 37.697 ( -6.902 7.237 0.065) 10.001 38.047 ( -5.958 4.120 0.025) 7.244 38.869 ( 3.216 -5.173 -0.447) 6.108 39.384 ( 13.369 -3.373 0.460) 13.795 ======================= Grid point 615 (232/417) ======================= q-point: (-0.12 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( -14.497 -1.396 -0.444) 14.571 2.739 ( -4.563 -1.525 -0.294) 4.820 2.894 ( -15.516 3.135 0.302) 15.833 3.150 ( -12.475 4.326 0.419) 13.211 3.582 ( -5.899 -2.032 -2.140) 6.596 3.647 ( -5.143 -3.407 1.789) 6.423 4.067 ( -8.671 1.940 0.306) 8.890 4.128 ( -9.974 1.668 -0.033) 10.113 4.622 ( 0.661 1.623 -0.283) 1.775 5.009 ( 5.523 -0.028 0.567) 5.552 5.147 ( -1.677 -3.527 -1.181) 4.080 5.285 ( -0.452 -1.919 0.972) 2.198 15.800 ( 18.037 -0.965 -1.162) 18.100 19.407 ( 8.794 1.920 1.199) 9.080 22.898 ( -29.728 11.065 -0.205) 31.721 25.140 ( 1.444 -15.512 0.042) 15.579 26.350 ( 5.789 -2.150 -0.484) 6.194 28.469 ( -9.433 3.859 0.342) 10.197 34.004 ( 2.219 0.700 -0.124) 2.330 34.828 ( 10.323 -0.662 0.042) 10.345 37.643 ( -5.539 3.431 -0.035) 6.515 37.982 ( -5.007 1.803 0.111) 5.323 38.874 ( 1.758 -2.446 -0.212) 3.020 39.605 ( 14.831 -0.991 0.169) 14.865 ======================= Grid point 623 (233/417) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -0.000 18.829 1.542) 18.892 2.029 ( -0.000 18.461 0.573) 18.469 2.241 ( -0.000 14.307 -0.632) 14.321 2.769 ( -0.000 3.624 -2.212) 4.246 3.013 ( -0.000 25.079 -0.789) 25.091 3.258 ( -0.000 23.894 1.785) 23.960 3.737 ( -0.000 1.469 0.056) 1.470 3.833 ( -0.000 0.445 -0.002) 0.445 4.426 ( -0.000 9.858 -0.114) 9.859 4.725 ( -0.000 14.692 -2.107) 14.842 5.355 ( 0.000 -4.977 2.512) 5.575 5.544 ( 0.000 -9.619 -0.151) 9.620 16.599 ( 0.000 -17.532 -3.065) 17.798 20.002 ( 0.000 -18.838 3.405) 19.143 21.511 ( -0.000 16.696 -0.015) 16.696 25.463 ( -0.000 26.302 0.106) 26.302 25.858 ( -0.000 21.543 -0.180) 21.544 27.827 ( -0.000 13.079 -0.836) 13.105 34.303 ( 0.000 -13.822 -0.063) 13.822 35.249 ( 0.000 -7.702 0.360) 7.711 37.464 ( 0.000 -2.817 -0.130) 2.820 37.848 ( 0.000 -1.591 0.155) 1.598 38.859 ( -0.000 7.148 2.014) 7.426 40.088 ( -0.000 -3.153 -3.596) 4.783 ======================= Grid point 624 (234/417) ======================= q-point: ( 0.44 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 3.154 17.998 0.985) 18.299 2.269 ( 8.044 15.816 0.533) 17.752 2.423 ( 5.426 12.617 -0.817) 13.759 2.818 ( 1.895 4.682 -1.185) 5.188 3.247 ( 1.640 19.606 -1.092) 19.704 3.477 ( 0.208 18.687 1.715) 18.767 3.785 ( 3.684 2.513 0.020) 4.459 3.862 ( 2.767 1.346 -0.006) 3.077 4.522 ( 1.619 6.348 -0.124) 6.552 4.858 ( -0.498 14.375 -1.912) 14.510 5.303 ( -1.244 -4.759 2.191) 5.385 5.439 ( -2.090 -7.548 -0.055) 7.833 16.372 ( -6.016 -16.987 -2.714) 18.224 19.810 ( -2.343 -17.221 3.110) 17.656 21.802 ( 15.027 16.260 -0.095) 22.141 25.482 ( -20.111 23.127 0.146) 30.648 26.171 ( 8.659 15.523 -0.273) 17.777 28.008 ( 9.121 7.759 -0.040) 11.975 34.168 ( -1.779 -10.067 -0.168) 10.225 35.149 ( -2.795 -8.079 0.174) 8.551 37.466 ( 3.203 -2.046 -0.149) 3.803 37.851 ( 1.842 -0.710 0.205) 1.985 38.912 ( -1.262 4.890 1.094) 5.168 40.007 ( -3.157 -7.059 -1.794) 7.938 ======================= Grid point 625 (235/417) ======================= q-point: ( 0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 5.190 16.043 0.454) 16.868 2.579 ( 10.327 12.771 0.314) 16.427 2.623 ( 5.443 9.771 -1.147) 11.244 2.942 ( 6.951 6.848 0.261) 9.761 3.427 ( 1.289 12.578 -1.282) 12.708 3.616 ( -0.615 10.326 1.254) 10.420 3.911 ( 6.198 5.483 0.316) 8.281 3.961 ( 5.473 4.704 -0.167) 7.219 4.591 ( 1.916 1.572 -0.085) 2.480 4.976 ( -0.532 11.840 -1.360) 11.930 5.214 ( -3.084 -7.283 0.851) 7.955 5.352 ( -2.583 -1.604 0.711) 3.122 16.073 ( -9.353 -15.971 -2.150) 18.633 19.615 ( -3.172 -13.937 2.462) 14.504 22.298 ( 23.737 16.944 -0.183) 29.165 25.327 ( -20.032 15.995 0.228) 25.635 26.359 ( 1.070 6.271 -0.407) 6.374 28.254 ( 11.201 6.056 0.290) 12.737 34.059 ( -1.634 -6.000 -0.127) 6.220 35.003 ( -4.902 -8.428 0.020) 9.750 37.530 ( 5.392 0.012 -0.169) 5.395 37.899 ( 3.511 1.086 0.235) 3.683 38.914 ( -2.700 2.190 0.405) 3.500 39.840 ( -6.375 -10.102 -0.647) 11.963 ======================= Grid point 626 (236/417) ======================= q-point: ( 0.56 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 6.189 13.258 0.091) 14.632 2.720 ( 1.297 5.416 -0.941) 5.649 2.907 ( 10.792 11.727 0.464) 15.944 3.166 ( 9.367 8.386 0.649) 12.589 3.536 ( 1.190 6.860 -1.232) 7.071 3.678 ( -0.541 4.689 0.559) 4.753 4.082 ( 6.311 7.008 0.788) 9.464 4.122 ( 6.043 7.702 -0.479) 9.801 4.619 ( 1.473 -1.265 0.073) 1.943 5.025 ( -2.598 -3.691 0.458) 4.537 5.106 ( -2.288 2.802 -1.276) 3.836 5.316 ( -1.824 0.689 0.919) 2.155 15.759 ( -9.508 -14.397 -1.502) 17.318 19.451 ( -3.152 -9.545 1.655) 10.188 22.891 ( 24.447 20.242 -0.219) 31.740 25.144 ( -14.093 6.491 0.234) 15.518 26.336 ( -4.716 -3.953 -0.442) 6.169 28.479 ( 8.026 6.216 0.334) 10.157 34.002 ( -0.411 -2.171 -0.047) 2.210 34.827 ( -5.852 -8.738 -0.074) 10.517 37.640 ( 5.705 3.154 -0.151) 6.521 37.987 ( 4.116 3.381 0.221) 5.331 38.871 ( -3.131 -0.720 -0.017) 3.213 39.607 ( -8.093 -11.790 -0.051) 14.300 ======================= Grid point 627 (237/417) ======================= q-point: ( 0.62 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 5.817 9.961 0.080) 11.535 2.772 ( 0.970 2.202 -0.403) 2.440 3.164 ( 6.227 10.737 0.488) 12.421 3.381 ( 5.564 8.361 0.049) 10.044 3.612 ( 2.359 3.749 -0.828) 4.507 3.702 ( 0.160 1.292 0.079) 1.304 4.244 ( 4.179 7.339 0.920) 8.496 4.302 ( 5.373 9.493 -0.480) 10.918 4.625 ( 0.225 -0.109 0.183) 0.310 4.876 ( -5.100 -8.551 0.218) 9.959 5.140 ( 0.826 2.206 -0.762) 2.476 5.295 ( -0.589 -1.620 0.533) 1.804 15.486 ( -6.906 -12.069 -0.916) 13.936 19.333 ( -2.802 -4.918 0.914) 5.733 23.472 ( 15.796 27.363 -0.173) 31.596 25.011 ( -2.111 -3.932 0.150) 4.465 26.135 ( -8.067 -14.246 -0.426) 16.377 28.641 ( 3.704 6.574 0.279) 7.551 34.002 ( 0.851 1.300 -0.007) 1.554 34.645 ( -5.300 -9.031 -0.096) 10.472 37.772 ( 3.909 6.949 -0.076) 7.973 38.095 ( 3.219 5.454 0.161) 6.335 38.805 ( -1.817 -3.503 -0.266) 3.955 39.355 ( -7.426 -12.487 0.241) 14.530 ======================= Grid point 628 (238/417) ======================= q-point: ( 0.69 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 3.242 6.604 0.566) 7.379 2.796 ( 1.412 -1.062 -0.425) 1.817 3.316 ( -0.039 9.470 0.503) 9.483 3.501 ( -0.605 8.305 -1.094) 8.399 3.681 ( 1.768 1.922 -0.914) 2.767 3.723 ( 2.916 -1.095 0.746) 3.203 4.366 ( 2.073 6.366 1.011) 6.771 4.469 ( 2.285 10.981 -0.354) 11.222 4.623 ( -3.048 3.800 0.171) 4.874 4.718 ( -3.848 -7.466 -0.033) 8.400 5.162 ( 2.972 -3.563 -0.091) 4.641 5.266 ( 1.453 -5.705 0.007) 5.887 15.303 ( -2.192 -9.003 -0.512) 9.280 19.264 ( -2.226 -1.122 0.409) 2.526 23.894 ( -3.515 35.569 -0.037) 35.742 25.044 ( 15.740 -11.422 0.015) 19.447 25.809 ( -7.485 -24.006 -0.435) 25.150 28.734 ( -0.104 6.340 0.218) 6.345 34.046 ( 0.656 4.310 -0.034) 4.360 34.487 ( -2.347 -9.270 -0.049) 9.563 37.892 ( -0.297 10.471 0.049) 10.475 38.186 ( 0.673 5.732 0.045) 5.772 38.757 ( 1.272 -4.589 -0.438) 4.782 39.136 ( -3.463 -12.643 0.424) 13.115 ======================= Grid point 629 (239/417) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( -2.182 2.952 1.014) 3.808 2.805 ( 2.101 -2.622 -0.706) 3.433 3.356 ( -4.755 7.301 0.513) 8.728 3.531 ( -4.800 8.448 -1.415) 9.819 3.697 ( 0.470 -0.892 -1.226) 1.587 3.765 ( 2.021 -1.643 1.167) 2.854 4.416 ( -3.340 3.387 1.089) 4.880 4.572 ( -1.962 7.963 -0.205) 8.204 4.588 ( -7.325 7.624 0.108) 10.573 4.640 ( 3.180 -4.204 -0.207) 5.275 5.178 ( 4.249 -5.744 0.452) 7.159 5.241 ( 3.648 -7.650 -0.483) 8.490 15.244 ( 3.732 -5.552 -0.369) 6.699 19.236 ( -1.060 0.981 0.231) 1.463 24.032 ( -19.745 34.361 0.047) 39.630 25.215 ( 8.380 -15.490 0.073) 17.612 25.540 ( 13.918 -22.826 -0.581) 26.741 28.762 ( -3.188 5.217 0.194) 6.117 34.079 ( -2.871 4.765 -0.077) 5.564 34.416 ( 4.489 -7.434 0.001) 8.685 37.945 ( -6.073 10.658 0.134) 12.267 38.218 ( -2.332 3.718 -0.051) 4.389 38.754 ( 2.475 -3.506 -0.564) 4.328 39.032 ( 5.494 -10.203 0.566) 11.602 ======================= Grid point 630 (240/417) ======================= q-point: (-0.19 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( -7.098 0.002 0.411) 7.109 2.808 ( 0.446 -1.586 -0.307) 1.676 3.301 ( -8.509 4.036 0.537) 9.433 3.501 ( -7.585 6.599 -0.988) 10.102 3.681 ( -0.985 -0.876 -0.768) 1.526 3.748 ( -1.179 -3.217 0.497) 3.462 4.342 ( -6.881 0.983 0.842) 7.002 4.479 ( -10.108 2.937 -0.247) 10.529 4.611 ( -2.043 5.152 0.113) 5.543 4.722 ( 7.892 -0.668 0.085) 7.921 5.186 ( 2.259 -4.361 -0.072) 4.911 5.247 ( 3.709 -3.961 -0.016) 5.427 15.319 ( 9.726 -2.316 -0.512) 10.011 19.248 ( 1.212 1.199 0.409) 1.753 23.897 ( -28.875 20.847 -0.037) 35.614 25.037 ( 1.956 -19.199 0.012) 19.298 25.819 ( 24.729 -5.281 -0.433) 25.290 28.729 ( -5.668 3.097 0.219) 6.463 34.044 ( -4.034 1.628 -0.034) 4.351 34.491 ( 9.268 -2.584 -0.050) 9.621 37.894 ( -8.833 5.438 0.049) 10.373 38.181 ( -5.413 2.228 0.045) 5.854 38.765 ( 3.353 -2.951 -0.455) 4.490 39.129 ( 12.648 -3.727 0.441) 13.193 ======================= Grid point 631 (241/417) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( -11.040 0.065 -0.066) 11.040 2.784 ( -2.140 -0.259 -0.328) 2.181 3.147 ( -12.253 0.093 0.581) 12.267 3.380 ( -11.135 0.537 0.012) 11.148 3.643 ( -3.064 0.491 -1.380) 3.396 3.692 ( -2.585 -0.802 0.710) 2.798 4.221 ( -8.206 -0.071 0.609) 8.229 4.313 ( -10.840 -0.062 -0.271) 10.844 4.621 ( 0.339 0.237 0.113) 0.429 4.867 ( 9.345 -0.148 0.314) 9.351 5.167 ( -1.604 -0.552 -1.033) 1.986 5.275 ( 1.203 0.474 0.806) 1.524 15.515 ( 14.694 0.054 -0.915) 14.722 19.305 ( 4.723 0.032 0.916) 4.811 23.477 ( -31.463 -0.002 -0.173) 31.463 25.006 ( 4.424 0.137 0.148) 4.428 26.149 ( 16.458 0.138 -0.426) 16.464 28.632 ( -7.697 -0.080 0.281) 7.702 34.002 ( -1.439 0.086 -0.009) 1.442 34.648 ( 10.390 -0.074 -0.095) 10.391 37.775 ( -7.901 -0.092 -0.079) 7.902 38.090 ( -6.383 0.063 0.165) 6.386 38.814 ( 3.712 0.183 -0.273) 3.727 39.347 ( 14.764 -0.192 0.248) 14.767 ======================= Grid point 640 (242/417) ======================= q-point: ( 0.44 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -0.000 18.005 0.906) 18.028 2.343 ( -0.000 13.667 0.490) 13.676 2.491 ( -0.000 11.579 -0.522) 11.591 2.847 ( -0.000 5.094 -1.250) 5.245 3.414 ( -0.000 16.738 -0.874) 16.761 3.660 ( -0.000 16.729 1.370) 16.785 3.766 ( -0.000 1.518 -0.131) 1.523 3.842 ( 0.000 0.383 0.178) 0.422 4.560 ( -0.000 3.461 -0.310) 3.475 4.998 ( -0.000 13.289 -1.268) 13.349 5.268 ( 0.000 -5.773 1.082) 5.873 5.404 ( 0.000 -2.670 0.573) 2.731 16.260 ( 0.000 -15.896 -2.360) 16.070 19.667 ( 0.000 -16.722 2.713) 16.941 21.815 ( -0.000 14.376 -0.064) 14.377 25.953 ( -0.000 23.561 0.113) 23.561 26.198 ( -0.000 13.715 -0.103) 13.715 27.972 ( -0.000 3.063 0.099) 3.065 34.092 ( 0.000 -8.184 -0.131) 8.185 35.096 ( 0.000 -7.860 0.026) 7.860 37.413 ( 0.000 -2.360 -0.132) 2.364 37.825 ( 0.000 -0.881 0.199) 0.903 38.974 ( -0.000 4.386 0.703) 4.442 39.958 ( 0.000 -8.472 -1.077) 8.541 ======================= Grid point 641 (243/417) ======================= q-point: ( 0.50 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 1.906 16.563 0.715) 16.688 2.533 ( 7.718 11.127 0.465) 13.549 2.636 ( 4.160 9.663 -0.819) 10.552 2.914 ( 2.681 5.187 -0.493) 5.860 3.546 ( -0.980 11.779 -0.794) 11.846 3.736 ( -2.708 6.478 0.461) 7.036 3.864 ( 4.976 5.236 0.350) 7.231 3.903 ( 5.719 4.205 0.181) 7.101 4.579 ( 0.464 -0.236 -0.142) 0.540 5.086 ( -1.181 4.180 0.101) 4.345 5.209 ( -2.005 -0.072 -0.968) 2.228 5.393 ( -1.620 2.222 1.131) 2.974 16.056 ( -6.028 -14.284 -1.831) 15.612 19.512 ( -0.721 -14.316 2.114) 14.489 22.085 ( 16.041 12.752 -0.076) 20.492 25.896 ( -23.464 18.982 0.227) 30.181 26.402 ( 3.143 8.569 -0.169) 9.129 28.093 ( 11.160 1.805 0.188) 11.307 34.019 ( -0.442 -5.481 -0.049) 5.499 34.995 ( -3.136 -7.563 -0.093) 8.188 37.431 ( 4.503 -1.518 -0.136) 4.754 37.845 ( 3.008 -0.085 0.198) 3.016 38.991 ( -2.560 3.104 0.350) 4.039 39.834 ( -4.110 -9.652 -0.507) 10.503 ======================= Grid point 642 (244/417) ======================= q-point: ( 0.56 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 3.167 13.809 0.430) 14.174 2.761 ( 1.702 7.216 -1.081) 7.493 2.807 ( 11.342 8.437 0.253) 14.138 3.060 ( 9.236 4.575 0.634) 10.326 3.611 ( -1.572 7.059 -0.672) 7.263 3.749 ( -1.830 4.025 -0.026) 4.421 4.019 ( 7.915 4.841 0.661) 9.301 4.072 ( 7.172 6.224 -0.284) 9.500 4.575 ( 0.965 -2.549 0.218) 2.734 5.015 ( -3.002 -7.813 0.331) 8.377 5.221 ( -3.516 8.926 -1.421) 9.698 5.385 ( -3.190 3.357 1.076) 4.754 15.789 ( -9.418 -12.206 -1.224) 15.465 19.384 ( -0.418 -10.505 1.417) 10.608 22.576 ( 27.445 11.708 -0.096) 29.838 25.627 ( -26.810 14.621 0.302) 30.540 26.409 ( -6.250 -0.713 -0.229) 6.295 28.337 ( 13.668 2.780 0.188) 13.949 33.978 ( 0.353 -2.573 0.039) 2.597 34.848 ( -5.607 -7.248 -0.154) 9.165 37.531 ( 8.047 0.194 -0.142) 8.051 37.925 ( 5.580 1.366 0.184) 5.747 38.949 ( -4.963 1.449 0.118) 5.171 39.637 ( -7.628 -10.020 -0.173) 12.594 ======================= Grid point 643 (245/417) ======================= q-point: ( 0.62 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 3.953 10.237 0.157) 10.975 2.805 ( -1.416 3.650 -0.716) 3.980 3.087 ( 12.061 6.643 0.307) 13.773 3.285 ( 11.380 3.549 0.768) 11.946 3.641 ( -0.917 4.288 -0.361) 4.400 3.751 ( -2.049 3.192 -0.503) 3.826 4.212 ( 7.892 5.797 0.994) 9.843 4.259 ( 8.173 6.344 -0.813) 10.378 4.575 ( 2.539 -2.984 0.476) 3.947 4.873 ( -4.396 -8.013 -0.076) 9.140 5.221 ( -4.794 5.686 -0.996) 7.504 5.346 ( -4.650 1.560 0.822) 4.973 15.518 ( -9.446 -9.623 -0.668) 13.501 19.302 ( 0.071 -6.174 0.769) 6.222 23.206 ( 33.025 12.056 -0.099) 35.157 25.312 ( -24.433 10.620 0.267) 26.643 26.196 ( -12.641 -9.832 -0.190) 16.015 28.572 ( 10.149 3.371 0.124) 10.695 33.985 ( 1.898 0.172 0.088) 1.908 34.672 ( -6.928 -6.907 -0.156) 9.784 37.696 ( 9.691 2.476 -0.131) 10.003 38.051 ( 6.602 2.966 0.159) 7.239 38.859 ( -6.155 -0.384 -0.005) 6.167 39.394 ( -9.569 -9.657 -0.020) 13.595 ======================= Grid point 644 (246/417) ======================= q-point: ( 0.69 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 3.961 6.699 0.063) 7.782 2.794 ( -1.792 0.275 -0.247) 1.830 3.320 ( 8.269 5.027 0.143) 9.678 3.485 ( 8.008 2.839 0.432) 8.507 3.669 ( 0.934 1.616 0.257) 1.884 3.740 ( -2.592 2.882 -0.861) 3.971 4.372 ( 4.283 5.397 0.445) 6.905 4.468 ( 8.259 7.394 -0.220) 11.088 4.621 ( 5.259 -0.732 0.334) 5.320 4.720 ( -4.916 -7.102 -0.211) 8.640 5.168 ( -5.015 1.115 -0.624) 5.175 5.261 ( -5.257 -1.922 0.517) 5.621 15.301 ( -6.562 -6.506 -0.270) 9.245 19.265 ( 0.115 -2.443 0.297) 2.464 23.894 ( 32.611 14.793 -0.081) 35.809 25.042 ( -17.672 7.861 0.183) 19.342 25.806 ( -16.827 -18.646 -0.139) 25.117 28.735 ( 5.424 3.147 0.062) 6.271 34.045 ( 3.516 2.677 0.079) 4.420 34.487 ( -6.933 -6.651 -0.109) 9.608 37.893 ( 9.127 5.056 -0.090) 10.434 38.185 ( 4.680 3.397 0.124) 5.785 38.753 ( -4.386 -1.405 -0.075) 4.606 39.140 ( -9.463 -9.100 0.048) 13.129 ======================= Grid point 645 (247/417) ======================= q-point: ( 0.75 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( 1.810 4.709 0.529) 5.073 2.754 ( -0.881 -2.910 -0.500) 3.081 3.444 ( 1.390 3.173 0.213) 3.470 3.604 ( 2.910 3.251 -0.552) 4.398 3.701 ( 1.558 -1.042 0.548) 1.953 3.722 ( -1.449 1.657 -0.398) 2.237 4.472 ( 2.004 4.581 0.501) 5.025 4.573 ( -3.097 -5.857 -0.252) 6.630 4.650 ( 3.276 5.613 -0.056) 6.500 4.713 ( 2.109 3.564 0.027) 4.141 5.099 ( -1.270 -1.683 -0.146) 2.114 5.151 ( -2.722 -5.228 0.107) 5.895 15.183 ( -1.658 -3.068 -0.098) 3.489 19.253 ( -0.247 -0.311 0.079) 0.405 24.540 ( 15.487 27.185 0.035) 31.287 24.913 ( 0.717 0.870 0.035) 1.128 25.290 ( -16.140 -28.191 -0.147) 32.484 28.815 ( 1.110 2.027 0.040) 2.311 34.149 ( 3.357 5.768 0.029) 6.674 34.319 ( -4.299 -7.443 -0.046) 8.596 38.082 ( 4.612 8.167 0.007) 9.379 38.230 ( -0.954 -1.780 0.021) 2.019 38.730 ( 1.790 2.592 -0.187) 3.156 38.916 ( -5.682 -9.338 0.173) 10.933 ======================= Grid point 646 (248/417) ======================= q-point: (-0.19 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( -4.559 -0.908 0.444) 4.670 2.775 ( 2.500 0.737 -0.399) 2.636 3.431 ( -4.364 -0.420 0.406) 4.403 3.637 ( -3.375 1.966 -0.919) 4.013 3.691 ( -0.645 0.936 -0.115) 1.143 3.725 ( 0.981 -1.940 0.274) 2.191 4.443 ( -5.351 -0.776 0.714) 5.454 4.586 ( 5.364 0.184 -0.267) 5.374 4.654 ( -5.725 0.038 -0.123) 5.726 4.710 ( -4.481 0.127 0.095) 4.484 5.109 ( 2.786 -0.653 -0.291) 2.876 5.144 ( 5.421 0.652 0.220) 5.464 15.189 ( 4.122 0.180 -0.181) 4.130 19.247 ( -0.158 -0.107 0.146) 0.240 24.538 ( -30.963 -0.331 0.062) 30.965 24.911 ( -1.239 0.340 0.065) 1.287 25.300 ( 32.717 0.219 -0.269) 32.719 28.813 ( -2.550 -0.097 0.074) 2.552 34.147 ( -6.676 0.044 0.052) 6.676 34.322 ( 8.699 -0.004 -0.085) 8.699 38.081 ( -9.292 -0.167 0.012) 9.294 38.229 ( 1.769 0.120 0.042) 1.774 38.743 ( -3.075 0.540 -0.398) 3.147 38.903 ( 10.945 -0.537 0.373) 10.965 ======================= Grid point 647 (249/417) ======================= q-point: (-0.12 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( -6.726 -0.475 0.131) 6.744 2.808 ( -0.005 1.645 -0.310) 1.674 3.301 ( -8.237 -4.138 0.484) 9.231 3.516 ( -7.917 -5.585 0.067) 9.689 3.694 ( -1.556 2.224 0.129) 2.718 3.725 ( -0.645 1.784 -0.989) 2.140 4.340 ( -6.584 -1.428 0.707) 6.774 4.479 ( -10.328 -3.087 -0.251) 10.782 4.614 ( -1.653 -4.670 0.337) 4.965 4.720 ( 7.682 0.303 -0.087) 7.689 5.174 ( 2.147 3.683 -0.745) 4.328 5.258 ( 3.775 4.636 0.589) 6.008 15.319 ( 9.563 2.552 -0.503) 9.911 19.250 ( 1.386 -1.276 0.491) 1.947 23.896 ( -28.828 -20.825 -0.104) 35.563 25.040 ( 1.959 19.337 0.201) 19.437 25.821 ( 24.666 5.617 -0.328) 25.299 28.728 ( -5.632 -3.273 0.158) 6.516 34.046 ( -4.022 -1.492 0.071) 4.291 34.490 ( 9.231 2.504 -0.139) 9.566 37.892 ( -8.824 -5.573 -0.077) 10.437 38.183 ( -5.414 -2.159 0.154) 5.830 38.768 ( 3.262 3.369 -0.279) 4.698 39.126 ( 12.738 3.291 0.244) 13.158 ======================= Grid point 657 (250/417) ======================= q-point: ( 0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( -0.000 15.631 0.836) 15.653 2.563 ( -0.000 8.835 0.491) 8.848 2.682 ( -0.000 8.162 -0.507) 8.178 2.945 ( -0.000 4.990 -0.948) 5.079 3.665 ( -0.000 9.692 -0.471) 9.703 3.794 ( -0.000 1.361 -0.312) 1.397 3.849 ( 0.000 0.202 0.353) 0.407 3.915 ( -0.000 9.044 0.588) 9.063 4.565 ( 0.000 -1.876 0.126) 1.881 5.068 ( 0.000 -6.964 0.376) 6.974 5.288 ( -0.000 9.913 -1.553) 10.034 5.445 ( -0.000 4.569 1.218) 4.729 15.977 ( 0.000 -12.111 -1.376) 12.189 19.386 ( 0.000 -12.785 1.618) 12.887 22.057 ( -0.000 10.351 0.009) 10.351 26.357 ( -0.000 17.525 0.094) 17.526 26.400 ( -0.000 7.451 0.174) 7.453 27.983 ( 0.000 -1.116 0.062) 1.117 33.974 ( 0.000 -4.138 0.037) 4.139 34.954 ( 0.000 -6.543 -0.177) 6.546 37.374 ( 0.000 -1.613 -0.109) 1.616 37.815 ( 0.000 -0.304 0.160) 0.344 39.045 ( -0.000 2.903 0.254) 2.914 39.778 ( 0.000 -9.169 -0.343) 9.175 ======================= Grid point 658 (251/417) ======================= q-point: ( 0.56 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 0.706 12.857 0.702) 12.896 2.705 ( 7.579 6.437 0.472) 9.955 2.793 ( 3.872 6.917 -0.877) 7.976 2.996 ( 2.045 2.949 -0.248) 3.597 3.709 ( -2.801 5.474 -0.179) 6.152 3.799 ( -0.750 1.836 -0.399) 2.023 3.925 ( 7.129 2.350 0.365) 7.515 4.023 ( 4.479 4.711 0.121) 6.502 4.545 ( -0.005 -2.296 0.457) 2.342 4.982 ( -1.779 -7.219 -0.136) 7.436 5.358 ( -2.411 8.616 -1.240) 9.033 5.475 ( -2.237 4.526 1.101) 5.168 15.817 ( -6.059 -9.483 -0.840) 11.285 19.283 ( 0.589 -9.675 1.047) 9.749 22.289 ( 16.535 8.051 0.051) 18.391 26.210 ( -23.119 13.231 0.346) 26.640 26.509 ( -4.018 2.648 0.005) 4.812 28.105 ( 13.941 -0.112 -0.004) 13.941 33.946 ( 0.483 -2.361 0.113) 2.412 34.865 ( -3.537 -5.482 -0.207) 6.527 37.407 ( 5.479 -0.874 -0.101) 5.549 37.847 ( 3.967 0.199 0.120) 3.973 39.042 ( -3.379 2.143 0.195) 4.006 39.654 ( -4.577 -8.180 -0.247) 9.377 ======================= Grid point 659 (252/417) ======================= q-point: ( 0.62 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( 1.570 8.557 0.260) 8.704 2.876 ( -1.432 5.094 -1.004) 5.386 2.929 ( 11.822 4.079 0.255) 12.508 3.113 ( 10.443 0.594 0.781) 10.489 3.705 ( -2.143 2.906 0.257) 3.620 3.804 ( -1.073 2.236 -0.726) 2.584 4.103 ( 9.932 3.631 0.572) 10.591 4.160 ( 8.029 2.370 -0.477) 8.385 4.525 ( 0.253 -2.114 0.607) 2.214 4.873 ( -3.566 -5.833 -0.414) 6.849 5.363 ( -4.949 5.517 -0.992) 7.478 5.454 ( -4.777 2.752 0.928) 5.591 15.602 ( -9.499 -6.480 -0.326) 11.504 19.227 ( 1.594 -5.829 0.502) 6.064 22.748 ( 29.257 5.924 0.059) 29.851 25.889 ( -28.416 11.805 0.301) 30.772 26.344 ( -12.948 -5.403 0.071) 14.031 28.374 ( 15.572 1.148 -0.060) 15.614 33.950 ( 1.799 -0.633 0.152) 1.913 34.732 ( -6.390 -4.303 -0.180) 7.706 37.535 ( 9.861 0.197 -0.103) 9.863 37.949 ( 7.190 0.938 0.088) 7.252 38.975 ( -6.396 1.103 0.199) 6.493 39.471 ( -8.410 -6.485 -0.237) 10.623 ======================= Grid point 660 (253/417) ======================= q-point: ( 0.69 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 2.801 3.972 -0.292) 4.869 2.854 ( -3.844 1.564 -0.175) 4.154 3.170 ( 12.447 1.948 0.016) 12.599 3.322 ( 12.401 0.396 0.825) 12.435 3.696 ( -1.484 1.354 0.637) 2.107 3.799 ( -1.712 1.855 -0.800) 2.648 4.300 ( 9.018 2.284 0.271) 9.307 4.352 ( 11.672 3.425 -0.657) 12.182 4.521 ( 2.111 -2.358 0.552) 3.213 4.752 ( -5.118 -3.640 -0.387) 6.292 5.297 ( -7.047 2.376 -0.758) 7.475 5.370 ( -7.157 0.388 0.733) 7.205 15.391 ( -9.481 -3.163 0.063) 9.995 19.221 ( 2.028 -2.357 0.078) 3.111 23.359 ( 36.948 3.840 0.036) 37.147 25.527 ( -25.808 9.332 0.135) 27.444 25.992 ( -20.115 -9.025 0.238) 22.048 28.614 ( 11.277 1.019 -0.118) 11.323 33.996 ( 3.660 0.491 0.136) 3.695 34.573 ( -8.123 -2.730 -0.107) 8.571 37.730 ( 12.239 0.979 -0.105) 12.278 38.094 ( 8.280 1.173 0.069) 8.363 38.858 ( -7.789 0.207 0.257) 7.796 39.254 ( -10.887 -4.078 -0.287) 11.630 ======================= Grid point 661 (254/417) ======================= q-point: (-0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( 3.777 -0.377 -0.789) 3.877 2.797 ( -3.616 0.436 0.570) 3.687 3.363 ( 8.928 -0.347 -0.553) 8.952 3.515 ( 9.476 0.097 1.141) 9.545 3.685 ( -0.708 0.058 0.757) 1.038 3.776 ( -2.382 0.542 -0.656) 2.529 4.429 ( 4.697 -0.909 -0.813) 4.853 4.571 ( 7.348 1.506 0.056) 7.501 4.588 ( 11.211 -1.662 0.093) 11.334 4.638 ( -5.941 0.505 0.099) 5.963 5.183 ( -7.279 0.702 -0.425) 7.326 5.235 ( -8.272 -0.603 0.448) 8.306 15.239 ( -6.538 0.322 0.261) 6.551 19.239 ( 1.312 -0.302 -0.163) 1.356 24.032 ( 39.750 0.057 -0.034) 39.750 25.216 ( -17.648 -0.352 -0.055) 17.652 25.534 ( -26.564 0.461 0.414) 26.571 28.765 ( 6.025 -0.107 -0.137) 6.027 34.079 ( 5.635 -0.073 0.054) 5.636 34.416 ( -8.727 0.120 0.000) 8.728 37.947 ( 12.259 0.049 -0.095) 12.259 38.218 ( 4.380 -0.114 0.036) 4.381 38.748 ( -4.242 0.266 0.384) 4.268 39.038 ( -11.642 -0.232 -0.385) 11.650 ======================= Grid point 662 (255/417) ======================= q-point: (-0.19 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 1.201 -4.575 -0.652) 4.775 2.772 ( -0.367 2.683 0.592) 2.772 3.433 ( 1.566 -3.935 -0.514) 4.266 3.630 ( 3.868 -1.850 1.164) 4.443 3.691 ( 1.471 0.307 -0.003) 1.503 3.726 ( -2.498 -0.732 -0.187) 2.610 4.448 ( 1.700 -5.059 -0.973) 5.424 4.584 ( -2.539 4.974 0.386) 5.598 4.653 ( 3.003 -5.087 0.152) 5.909 4.711 ( 2.327 -3.726 -0.111) 4.394 5.107 ( -1.996 1.880 0.369) 2.767 5.145 ( -2.087 5.187 -0.277) 5.598 15.188 ( -1.794 3.578 0.237) 4.009 19.248 ( -0.097 -0.112 -0.191) 0.241 24.538 ( 15.138 -27.086 -0.081) 31.029 24.911 ( 0.993 -0.829 -0.085) 1.297 25.298 ( -16.088 28.436 0.352) 32.674 28.813 ( 1.141 -2.230 -0.097) 2.507 34.147 ( 3.387 -5.753 -0.069) 6.676 34.321 ( -4.343 7.513 0.111) 8.679 38.081 ( 4.466 -8.171 -0.016) 9.312 38.229 ( -0.774 1.653 -0.054) 1.826 38.741 ( 2.129 -2.320 0.504) 3.189 38.906 ( -6.052 9.125 -0.470) 10.960 ======================= Grid point 663 (256/417) ======================= q-point: (-0.12 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( -1.769 -3.064 -0.000) 3.538 2.815 ( 1.490 2.581 -0.000) 2.980 3.350 ( -4.196 -7.268 -0.000) 8.392 3.552 ( -5.084 -8.806 0.000) 10.169 3.730 ( 0.783 1.356 0.000) 1.566 3.732 ( 1.240 2.148 -0.000) 2.481 4.400 ( -2.287 -3.962 0.000) 4.575 4.580 ( -5.268 -9.125 0.000) 10.537 4.581 ( -3.245 -5.621 -0.000) 6.490 4.644 ( 1.910 3.309 -0.000) 3.820 5.172 ( 3.445 5.967 -0.000) 6.890 5.248 ( 4.326 7.493 -0.000) 8.652 15.249 ( 3.433 5.946 -0.000) 6.866 19.233 ( -0.738 -1.278 -0.000) 1.475 24.031 ( -19.730 -34.173 0.000) 39.460 25.214 ( 8.771 15.192 0.000) 17.542 25.549 ( 13.479 23.347 -0.000) 26.959 28.759 ( -3.118 -5.401 -0.000) 6.237 34.081 ( -2.730 -4.729 -0.000) 5.460 34.415 ( 4.310 7.465 -0.000) 8.620 37.943 ( -6.139 -10.632 -0.000) 12.277 38.219 ( -2.197 -3.805 -0.000) 4.394 38.763 ( 2.156 3.734 -0.000) 4.312 39.023 ( 5.753 9.965 -0.000) 11.507 ======================= Grid point 675 (257/417) ======================= q-point: ( 0.56 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( -0.000 10.140 0.812) 10.173 2.691 ( -0.000 4.234 0.520) 4.265 2.801 ( -0.000 4.280 -0.535) 4.313 3.018 ( -0.000 2.630 -0.849) 2.763 3.803 ( -0.000 5.109 -0.039) 5.110 3.815 ( -0.000 1.007 -0.448) 1.102 3.852 ( 0.000 -0.115 0.487) 0.501 4.017 ( -0.000 1.723 0.144) 1.729 4.529 ( 0.000 -1.338 0.565) 1.453 4.935 ( 0.000 -5.394 -0.494) 5.416 5.451 ( -0.000 6.365 -1.075) 6.455 5.539 ( -0.000 3.740 1.027) 3.878 15.791 ( 0.000 -6.400 -0.386) 6.411 19.195 ( 0.000 -7.159 0.599) 7.184 22.211 ( -0.000 5.392 0.167) 5.395 26.501 ( -0.000 3.136 0.528) 3.180 26.620 ( -0.000 9.280 0.054) 9.281 27.953 ( 0.000 -1.551 -0.197) 1.563 33.922 ( 0.000 -1.573 0.169) 1.582 34.851 ( 0.000 -3.739 -0.219) 3.745 37.350 ( 0.000 -0.780 -0.068) 0.783 37.812 ( 0.000 -0.057 0.057) 0.081 39.092 ( -0.000 1.861 0.268) 1.880 39.623 ( 0.000 -6.079 -0.323) 6.088 ======================= Grid point 676 (258/417) ======================= q-point: ( 0.62 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( -0.417 5.103 0.445) 5.139 2.788 ( 7.502 2.037 0.545) 7.793 2.896 ( 6.252 3.813 -0.768) 7.363 3.018 ( -0.919 -0.469 -0.175) 1.047 3.769 ( -3.191 1.083 0.569) 3.418 3.830 ( -0.239 1.543 -0.634) 1.685 3.968 ( 8.930 1.769 0.261) 9.107 4.059 ( 4.361 -0.437 0.009) 4.383 4.517 ( -0.394 -0.706 0.455) 0.928 4.876 ( -2.004 -2.932 -0.652) 3.610 5.472 ( -2.851 3.395 -0.912) 4.526 5.545 ( -2.770 1.703 0.902) 3.375 15.692 ( -6.097 -3.048 0.067) 6.817 19.154 ( 1.349 -3.730 0.149) 3.969 22.395 ( 16.723 2.773 0.223) 16.953 26.413 ( -17.411 7.532 0.560) 18.978 26.510 ( -13.574 -2.447 0.082) 13.793 28.100 ( 15.904 -0.222 -0.268) 15.908 33.919 ( 1.011 -0.603 0.198) 1.194 34.790 ( -3.838 -1.977 -0.186) 4.321 37.396 ( 6.000 -0.256 -0.057) 6.006 37.851 ( 4.524 0.083 0.010) 4.525 39.075 ( -3.802 1.019 0.367) 3.953 39.535 ( -4.772 -3.392 -0.424) 5.870 ======================= Grid point 677 (259/417) ======================= q-point: (-0.31 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 0.844 -0.111 -0.159) 0.866 2.938 ( -4.221 0.893 -0.207) 4.320 2.969 ( 11.722 -0.086 0.185) 11.724 3.105 ( 12.558 -0.901 0.299) 12.593 3.734 ( -1.980 0.102 0.880) 2.169 3.831 ( -0.886 0.570 -0.463) 1.151 4.156 ( 8.857 -2.104 -0.335) 9.110 4.161 ( 11.118 1.791 0.097) 11.262 4.505 ( -0.479 -0.348 0.219) 0.632 4.811 ( -3.863 0.120 -0.574) 3.907 5.419 ( -5.477 0.553 -0.711) 5.550 5.482 ( -5.478 -0.520 0.726) 5.550 15.543 ( -9.573 0.444 0.433) 9.593 19.166 ( 2.383 -0.475 -0.227) 2.440 22.806 ( 29.737 0.060 0.214) 29.738 26.034 ( -28.333 -0.350 -0.095) 28.335 26.262 ( -15.696 0.384 0.722) 15.717 28.383 ( 16.246 -0.103 -0.301) 16.249 33.946 ( 2.374 -0.031 0.184) 2.382 34.689 ( -6.761 0.081 -0.111) 6.762 37.537 ( 10.505 0.042 -0.063) 10.506 37.958 ( 7.816 -0.067 -0.011) 7.816 38.989 ( -6.875 0.099 0.467) 6.892 39.402 ( -8.721 -0.095 -0.519) 8.737 ======================= Grid point 678 (260/417) ======================= q-point: (-0.25 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( 2.650 -4.052 -0.515) 4.869 2.861 ( -3.951 -0.963 0.288) 4.076 3.166 ( 12.201 -2.259 -0.178) 12.410 3.318 ( 12.891 -1.100 0.514) 12.948 3.703 ( -1.489 -0.985 1.015) 2.054 3.806 ( -1.729 -1.108 -0.316) 2.078 4.283 ( 8.907 -3.460 -0.827) 9.591 4.365 ( 11.944 -2.637 0.171) 12.233 4.512 ( 1.760 1.815 -0.018) 2.528 4.753 ( -4.942 3.755 -0.294) 6.214 5.306 ( -6.962 -1.270 -0.334) 7.085 5.363 ( -7.204 -1.373 0.389) 7.344 15.400 ( -9.571 3.940 0.643) 10.370 19.212 ( 2.136 1.547 -0.475) 2.680 23.360 ( 36.923 -3.702 0.147) 37.109 25.523 ( -25.785 -9.547 -0.146) 27.496 25.999 ( -20.136 9.350 0.719) 22.213 28.611 ( 11.294 -1.227 -0.309) 11.365 33.995 ( 3.624 -0.558 0.116) 3.668 34.575 ( -8.091 2.888 -0.009) 8.591 37.730 ( 12.241 -0.880 -0.067) 12.273 38.093 ( 8.260 -1.332 -0.028) 8.367 38.862 ( -7.728 -0.006 0.531) 7.747 39.250 ( -10.929 3.894 -0.559) 11.616 ======================= Grid point 679 (261/417) ======================= q-point: (-0.19 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 3.569 -6.371 -0.469) 7.318 2.805 ( -1.648 -0.300 0.430) 1.729 3.305 ( 7.834 -5.357 -0.734) 9.519 3.495 ( 9.409 -3.016 0.968) 9.928 3.677 ( -0.007 -1.252 0.741) 1.455 3.750 ( -2.349 -2.766 -0.176) 3.633 4.348 ( 4.263 -5.574 -1.088) 7.101 4.477 ( 7.665 -7.267 0.336) 10.567 4.612 ( 5.527 0.780 -0.222) 5.586 4.723 ( -4.655 6.611 -0.033) 8.086 5.185 ( -5.101 -0.536 0.439) 5.148 5.248 ( -5.110 1.511 -0.300) 5.337 15.315 ( -6.784 7.165 0.666) 9.890 19.251 ( 0.373 1.770 -0.566) 1.895 23.897 ( 32.524 -14.631 0.074) 35.663 25.038 ( -17.593 -7.883 -0.088) 19.278 25.816 ( -16.865 18.793 0.525) 25.257 28.730 ( 5.471 -3.341 -0.263) 6.416 34.044 ( 3.469 -2.668 0.005) 4.377 34.490 ( -6.901 6.716 0.099) 9.630 37.894 ( 9.103 -4.971 -0.015) 10.372 38.182 ( 4.657 -3.531 -0.101) 5.845 38.762 ( -4.203 1.480 0.518) 4.486 39.132 ( -9.597 9.034 -0.492) 13.189 ======================= Grid point 692 (262/417) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( 0.000 -0.071 0.727) 0.730 2.733 ( 0.000 -0.122 0.524) 0.538 2.842 ( -0.000 0.120 -0.546) 0.559 3.039 ( -0.000 0.036 -0.750) 0.750 3.828 ( -0.000 0.517 -0.471) 0.700 3.848 ( 0.000 -0.522 0.513) 0.732 3.867 ( 0.000 0.899 0.800) 1.203 4.015 ( -0.000 -0.776 -0.320) 0.839 4.518 ( 0.000 -0.219 0.318) 0.386 4.878 ( -0.000 0.078 -0.767) 0.771 5.514 ( -0.000 0.543 -0.796) 0.964 5.576 ( 0.000 -0.526 0.808) 0.964 15.733 ( 0.000 0.499 0.459) 0.677 19.120 ( -0.000 -0.543 -0.229) 0.590 22.265 ( 0.000 0.039 0.330) 0.332 26.534 ( 0.000 0.028 0.835) 0.836 26.710 ( 0.000 -0.033 0.011) 0.035 27.934 ( -0.000 -0.078 -0.452) 0.458 33.908 ( 0.000 -0.017 0.227) 0.228 34.814 ( -0.000 0.070 -0.176) 0.189 37.343 ( -0.000 0.032 -0.027) 0.042 37.811 ( -0.000 -0.057 -0.047) 0.074 39.114 ( 0.000 0.081 0.512) 0.518 39.558 ( -0.000 -0.075 -0.580) 0.585 ======================= Grid point 693 (263/417) ======================= q-point: (-0.31 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( -0.568 -5.189 0.471) 5.241 2.789 ( 7.542 -2.230 0.578) 7.886 2.905 ( 7.883 -3.093 -0.107) 8.469 3.006 ( -2.527 -0.119 -0.965) 2.708 3.773 ( -3.101 -0.752 0.793) 3.288 3.840 ( -0.347 -0.608 0.071) 0.704 3.971 ( 8.705 -2.003 0.470) 8.945 4.047 ( 4.705 -0.348 -0.860) 4.795 4.515 ( -0.466 0.434 0.299) 0.704 4.875 ( -1.964 2.987 -0.764) 3.655 5.480 ( -2.840 -2.282 -0.610) 3.694 5.538 ( -2.771 -2.770 0.634) 3.969 15.703 ( -6.132 4.013 0.786) 7.371 19.142 ( 1.389 2.666 -0.567) 3.059 22.397 ( 16.722 -2.690 0.355) 16.941 26.409 ( -18.041 -7.595 0.300) 19.577 26.517 ( -12.948 2.531 0.555) 13.205 28.097 ( 15.907 0.047 -0.482) 15.915 33.920 ( 0.998 0.576 0.231) 1.176 34.790 ( -3.824 2.101 -0.141) 4.365 37.396 ( 6.002 0.324 -0.024) 6.011 37.849 ( 4.523 -0.195 -0.071) 4.528 39.078 ( -3.798 -0.919 0.593) 3.953 39.532 ( -4.776 3.309 -0.659) 5.847 ======================= Grid point 694 (264/417) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( 1.390 -8.385 0.218) 8.503 2.896 ( -2.381 -4.656 0.134) 5.232 2.927 ( 11.883 -4.342 0.291) 12.654 3.091 ( 11.348 -1.124 -0.649) 11.422 3.719 ( -2.083 -2.222 1.142) 3.253 3.814 ( -1.249 -2.344 -0.113) 2.658 4.092 ( 8.975 -3.973 -0.304) 9.820 4.158 ( 9.319 -2.472 -0.481) 9.653 4.521 ( 0.005 2.246 0.338) 2.271 4.869 ( -3.444 5.619 -0.652) 6.623 5.379 ( -4.912 -4.429 -0.229) 6.618 5.440 ( -4.770 -3.739 0.270) 6.067 15.623 ( -9.626 7.363 0.987) 12.159 19.207 ( 1.742 4.830 -0.809) 5.198 22.752 ( 29.245 -5.831 0.304) 29.822 25.883 ( -28.447 -11.810 -0.042) 30.801 26.356 ( -12.937 5.456 0.811) 14.063 28.368 ( 15.591 -1.323 -0.458) 15.654 33.951 ( 1.754 0.631 0.197) 1.875 34.733 ( -6.343 4.376 -0.079) 7.707 37.536 ( 9.869 -0.118 -0.034) 9.869 37.946 ( 7.177 -1.050 -0.071) 7.254 38.981 ( -6.365 -1.123 0.583) 6.490 39.465 ( -8.437 6.536 -0.628) 10.691 ======================= Grid point 695 (265/417) ======================= q-point: (-0.19 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 3.747 -9.859 0.125) 10.547 2.818 ( -1.718 -3.394 0.126) 3.806 3.078 ( 11.559 -6.909 -0.257) 13.469 3.274 ( 12.348 -4.011 0.013) 12.983 3.666 ( -1.015 -3.334 1.335) 3.732 3.752 ( -2.023 -4.171 -0.593) 4.674 4.187 ( 7.538 -5.626 -0.748) 9.436 4.271 ( 8.616 -6.502 0.139) 10.795 4.570 ( 2.255 3.374 0.174) 4.062 4.867 ( -4.218 7.516 -0.485) 8.633 5.245 ( -4.815 -4.804 0.417) 6.814 5.326 ( -4.533 -2.216 -0.313) 5.055 15.545 ( -9.697 10.403 1.030) 14.258 19.276 ( 0.372 5.264 -0.929) 5.359 23.211 ( 32.992 -11.942 0.215) 35.087 25.308 ( -24.419 -10.627 -0.049) 26.632 26.209 ( -12.686 9.886 0.646) 16.096 28.564 ( 10.193 -3.525 -0.394) 10.792 33.985 ( 1.826 -0.124 0.117) 1.834 34.674 ( -6.858 6.902 0.006) 9.730 37.697 ( 9.707 -2.384 -0.015) 9.995 38.047 ( 6.558 -3.077 -0.095) 7.245 38.866 ( -6.056 0.260 0.481) 6.080 39.387 ( -9.648 9.818 -0.486) 13.774 ======================= Grid point 709 (266/417) ======================= q-point: (-0.31 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 0.000 -10.149 1.208) 10.221 2.691 ( 0.000 -4.451 0.510) 4.480 2.801 ( 0.000 -4.066 -0.543) 4.102 3.012 ( -0.000 -2.565 -1.222) 2.841 3.829 ( 0.000 -0.627 0.411) 0.750 3.834 ( 0.000 -4.638 2.147) 5.110 3.838 ( -0.000 -0.269 -0.356) 0.447 3.992 ( -0.000 -2.356 -1.789) 2.959 4.529 ( -0.000 1.530 0.557) 1.628 4.930 ( -0.000 5.215 -0.862) 5.285 5.466 ( 0.000 -5.180 -0.409) 5.196 5.524 ( 0.000 -4.862 0.425) 4.880 15.814 ( -0.000 7.385 1.072) 7.462 19.172 ( -0.000 6.034 -0.876) 6.097 22.215 ( 0.000 -5.350 0.416) 5.366 26.509 ( 0.000 -3.099 1.020) 3.262 26.619 ( 0.000 -9.337 -0.017) 9.337 27.946 ( -0.000 1.428 -0.611) 1.553 33.923 ( -0.000 1.585 0.263) 1.607 34.851 ( -0.000 3.799 -0.175) 3.803 37.351 ( -0.000 0.836 -0.007) 0.836 37.810 ( -0.000 -0.030 -0.092) 0.097 39.098 ( 0.000 -1.928 0.629) 2.028 39.618 ( -0.000 6.190 -0.690) 6.228 ======================= Grid point 710 (267/417) ======================= q-point: (-0.25 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 0.441 -12.787 1.172) 12.848 2.705 ( 7.622 -6.668 0.499) 10.140 2.803 ( 5.024 -6.883 -0.156) 8.523 2.977 ( 0.925 -2.674 -1.499) 3.202 3.734 ( -3.066 -4.414 1.527) 5.587 3.808 ( -1.287 -2.665 0.189) 2.965 3.919 ( 7.090 -2.940 0.016) 7.675 3.999 ( 5.528 -4.698 -1.545) 7.417 4.549 ( -0.147 2.750 0.726) 2.848 4.972 ( -1.715 6.795 -0.824) 7.056 5.382 ( -2.426 -7.353 -0.023) 7.743 5.452 ( -2.190 -5.614 0.027) 6.026 15.849 ( -6.158 10.421 1.244) 12.168 19.249 ( 0.697 8.552 -1.101) 8.651 22.294 ( 16.539 -8.032 0.388) 18.390 26.209 ( -23.440 -13.279 0.224) 26.941 26.520 ( -3.717 -2.611 0.723) 4.599 28.097 ( 13.946 0.014 -0.578) 13.958 33.948 ( 0.451 2.409 0.264) 2.465 34.865 ( -3.498 5.466 -0.181) 6.492 37.408 ( 5.486 0.928 -0.016) 5.564 37.844 ( 3.957 -0.265 -0.079) 3.967 39.048 ( -3.362 -2.377 0.575) 4.157 39.648 ( -4.599 8.498 -0.610) 9.682 ======================= Grid point 711 (268/417) ======================= q-point: (-0.19 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 2.949 -13.730 0.865) 14.070 2.783 ( 0.969 -6.746 0.165) 6.817 2.800 ( 11.670 -8.876 0.059) 14.662 3.034 ( 9.599 -4.453 -1.022) 10.630 3.647 ( -1.552 -6.219 1.861) 6.674 3.737 ( -2.093 -5.572 -1.058) 6.045 4.005 ( 7.482 -4.800 -0.305) 8.894 4.068 ( 8.168 -5.916 -0.450) 10.096 4.582 ( 0.623 2.926 0.631) 3.058 5.000 ( -2.861 7.108 -0.700) 7.694 5.255 ( -3.613 -7.488 0.537) 8.332 5.356 ( -3.008 -4.291 -0.497) 5.264 15.828 ( -9.641 13.048 1.274) 16.273 19.343 ( -0.161 9.441 -1.210) 9.519 22.583 ( 27.447 -11.687 0.298) 29.833 25.624 ( -26.899 -14.610 0.063) 30.611 26.424 ( -6.223 0.689 0.695) 6.300 28.327 ( 13.689 -2.839 -0.476) 13.988 33.981 ( 0.286 2.653 0.219) 2.677 34.848 ( -5.520 7.161 -0.138) 9.043 37.533 ( 8.076 -0.127 -0.022) 8.077 37.921 ( 5.539 -1.429 -0.068) 5.720 38.954 ( -4.897 -1.807 0.437) 5.238 39.633 ( -7.712 10.505 -0.429) 13.039 ======================= Grid point 726 (269/417) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 0.000 -15.872 1.732) 15.967 2.563 ( 0.000 -9.021 0.515) 9.036 2.681 ( 0.000 -7.970 -0.563) 7.989 2.934 ( 0.000 -4.426 -1.554) 4.691 3.707 ( 0.000 -9.749 2.636) 10.099 3.809 ( 0.000 -1.528 0.903) 1.775 3.834 ( -0.000 -0.039 -0.822) 0.823 3.871 ( 0.000 -9.470 -2.640) 9.831 4.577 ( -0.000 2.320 0.902) 2.489 5.050 ( -0.000 6.243 -0.821) 6.296 5.324 ( 0.000 -8.213 0.359) 8.221 5.412 ( 0.000 -5.804 -0.399) 5.817 16.020 ( -0.000 13.031 1.377) 13.103 19.341 ( -0.000 11.639 -1.287) 11.710 22.063 ( 0.000 -10.397 0.388) 10.405 26.355 ( 0.000 -17.562 -0.022) 17.562 26.413 ( 0.000 -7.481 1.043) 7.553 27.973 ( -0.000 1.140 -0.613) 1.295 33.978 ( -0.000 4.213 0.293) 4.223 34.952 ( -0.000 6.442 -0.267) 6.448 37.375 ( -0.000 1.648 -0.018) 1.648 37.811 ( -0.000 0.281 -0.051) 0.286 39.049 ( 0.000 -3.359 0.505) 3.397 39.775 ( -0.000 9.808 -0.502) 9.821 ======================= Grid point 727 (270/417) ======================= q-point: (-0.19 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 1.678 -16.983 1.523) 17.133 2.533 ( 7.688 -11.359 0.466) 13.724 2.643 ( 4.987 -9.533 -0.335) 10.763 2.899 ( 1.904 -4.273 -1.418) 4.888 3.591 ( -1.017 -11.607 2.445) 11.905 3.709 ( -2.959 -9.192 -1.755) 9.814 3.857 ( 4.982 -3.935 -0.055) 6.349 3.891 ( 6.215 -3.414 -0.654) 7.121 4.595 ( 0.259 0.408 0.859) 0.985 5.070 ( -1.092 -1.459 -0.737) 1.966 5.251 ( -2.155 -1.351 1.059) 2.755 5.350 ( -1.409 -3.608 -1.106) 4.028 16.106 ( -6.166 15.111 1.367) 16.378 19.458 ( -0.583 13.246 -1.340) 13.326 22.092 ( 16.060 -12.827 0.316) 20.557 25.895 ( -23.592 -19.028 0.173) 30.310 26.416 ( 3.228 -8.608 0.720) 9.222 28.083 ( 11.143 -1.655 -0.498) 11.276 34.024 ( -0.477 5.551 0.270) 5.578 34.992 ( -3.068 7.398 -0.288) 8.014 37.432 ( 4.523 1.553 -0.034) 4.782 37.841 ( 2.975 0.081 -0.014) 2.976 38.991 ( -2.507 -3.769 0.367) 4.542 39.837 ( -4.201 10.636 -0.304) 11.440 ======================= Grid point 743 (271/417) ======================= q-point: (-0.19 -0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 0.000 -18.872 1.726) 18.951 2.343 ( 0.000 -13.896 0.531) 13.906 2.491 ( 0.000 -11.324 -0.598) 11.340 2.844 ( 0.000 -3.871 -1.277) 4.076 3.460 ( 0.000 -17.184 2.461) 17.359 3.605 ( 0.000 -16.681 -2.608) 16.884 3.780 ( 0.000 -1.794 0.939) 2.025 3.829 ( -0.000 -0.120 -0.825) 0.833 4.579 ( 0.000 -3.539 0.957) 3.666 5.005 ( 0.000 -11.332 -0.627) 11.349 5.301 ( 0.000 3.730 3.167) 4.893 5.345 ( -0.000 2.799 -3.410) 4.411 16.317 ( -0.000 16.621 1.305) 16.672 19.604 ( -0.000 15.821 -1.288) 15.873 21.821 ( 0.000 -14.516 0.275) 14.519 25.951 ( 0.000 -23.574 -0.009) 23.574 26.214 ( 0.000 -13.842 0.931) 13.874 27.964 ( 0.000 -2.567 -0.414) 2.600 34.098 ( -0.000 8.176 0.251) 8.180 35.090 ( -0.000 7.636 -0.384) 7.645 37.414 ( -0.000 2.377 -0.050) 2.377 37.822 ( -0.000 0.920 0.049) 0.921 38.967 ( 0.000 -5.416 0.258) 5.422 39.973 ( -0.000 10.151 -0.110) 10.152 ======================= Grid point 830 (272/417) ======================= q-point: ( 0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.176 ( 0.000 -0.000 8.650) 8.650 0.176 ( 0.000 -0.000 8.650) 8.650 0.370 ( 0.000 -0.000 19.338) 19.338 1.307 ( -0.000 0.000 -1.669) 1.669 1.307 ( -0.000 0.000 -1.669) 1.669 2.817 ( -0.000 0.000 -4.848) 4.848 3.675 ( 0.000 -0.000 0.789) 0.789 3.675 ( 0.000 -0.000 0.789) 0.789 3.808 ( -0.000 0.000 -0.655) 0.655 3.808 ( -0.000 0.000 -0.655) 0.655 5.786 ( -0.000 0.000 -0.262) 0.262 6.110 ( 0.000 -0.000 2.099) 2.099 17.740 ( -0.000 0.000 -5.423) 5.423 20.609 ( 0.000 -0.000 0.448) 0.448 20.609 ( 0.000 -0.000 0.448) 0.448 21.452 ( 0.000 -0.000 7.060) 7.060 24.113 ( 0.000 -0.000 0.005) 0.005 24.113 ( 0.000 -0.000 0.005) 0.005 35.563 ( 0.000 -0.000 1.289) 1.289 37.075 ( -0.000 0.000 -1.275) 1.275 37.617 ( -0.000 0.000 -0.127) 0.127 37.617 ( -0.000 0.000 -0.127) 0.127 37.968 ( -0.000 0.000 -0.040) 0.040 37.968 ( -0.000 0.000 -0.040) 0.040 ======================= Grid point 831 (273/417) ======================= q-point: ( 0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( 9.297 5.368 13.189) 17.006 0.622 ( 24.276 14.016 2.708) 28.162 0.895 ( 37.360 21.570 1.698) 43.172 1.396 ( 8.053 4.649 -1.698) 9.452 1.579 ( 21.161 12.217 -0.732) 24.446 2.791 ( -1.292 -0.746 -4.794) 5.021 3.688 ( 0.739 0.426 0.935) 1.266 3.803 ( -0.121 -0.070 -0.789) 0.801 3.869 ( 8.892 5.134 -4.449) 11.191 3.900 ( 7.314 4.223 -0.503) 8.461 5.637 ( -5.400 -3.118 4.676) 7.794 6.049 ( -4.700 -2.713 0.640) 5.464 17.517 ( -8.905 -5.141 -0.056) 10.283 20.684 ( 6.502 3.754 0.429) 7.520 21.090 ( -12.039 -6.951 -7.662) 15.874 24.219 ( 9.329 5.386 0.015) 10.772 24.317 ( 27.038 15.610 -9.284) 32.572 24.632 ( 127.339 73.519 -77.142) 166.046 35.540 ( -2.223 -1.283 1.353) 2.901 35.856 ( -42.459 -24.514 20.560) 53.164 37.604 ( -1.128 -0.651 -0.138) 1.310 37.917 ( 18.684 10.787 6.697) 22.590 37.958 ( -0.952 -0.549 -0.010) 1.099 39.318 ( 43.017 24.836 -49.395) 70.051 ======================= Grid point 832 (274/417) ======================= q-point: ( 0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 15.227 8.791 6.668) 18.805 1.160 ( 22.980 13.268 1.450) 26.575 1.632 ( 12.550 7.246 -1.385) 14.558 1.714 ( 34.976 20.193 0.347) 40.388 2.129 ( 26.085 15.060 0.188) 30.121 2.754 ( -0.857 -0.495 -3.905) 4.028 3.711 ( 1.119 0.646 0.827) 1.535 3.799 ( -0.009 -0.005 -0.710) 0.710 4.082 ( 9.736 5.621 2.033) 11.424 4.092 ( 10.681 6.166 -4.709) 13.201 5.545 ( -4.198 -2.423 3.103) 5.755 5.914 ( -7.162 -4.135 -0.018) 8.270 17.276 ( -12.600 -7.274 -2.113) 14.702 20.744 ( -16.633 -9.603 -0.675) 19.218 20.891 ( 11.586 6.689 0.309) 13.382 24.519 ( 16.986 9.807 0.045) 19.613 24.841 ( 25.275 14.592 0.024) 29.185 26.503 ( 58.143 33.569 -25.044) 71.657 35.128 ( -26.790 -15.467 6.083) 31.527 35.480 ( -3.923 -2.265 0.960) 4.630 37.568 ( -1.993 -1.150 -0.130) 2.304 37.928 ( -1.620 -0.935 0.021) 1.871 38.354 ( 16.980 9.804 7.674) 21.055 39.854 ( 17.181 9.919 -25.388) 32.220 ======================= Grid point 833 (275/417) ======================= q-point: ( 0.38 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 16.797 9.698 3.060) 19.636 1.645 ( 19.940 11.512 0.865) 23.041 1.926 ( 13.462 7.772 -0.926) 15.572 2.444 ( 29.728 17.164 -0.791) 34.336 2.652 ( 13.134 7.583 -1.091) 15.205 2.793 ( 11.860 6.847 -0.309) 13.698 3.740 ( 1.271 0.734 0.337) 1.506 3.800 ( 0.193 0.111 -0.278) 0.356 4.289 ( 8.902 5.140 0.510) 10.292 4.364 ( 13.484 7.785 -2.698) 15.802 5.453 ( -4.393 -2.536 2.737) 5.764 5.737 ( -8.535 -4.928 -0.187) 9.858 16.957 ( -15.011 -8.666 -3.117) 17.611 20.368 ( -16.972 -9.799 2.685) 19.780 21.187 ( 14.347 8.283 0.125) 16.567 24.958 ( 21.684 12.519 0.077) 25.039 25.404 ( 23.944 13.824 -0.156) 27.648 27.405 ( 27.943 16.133 -5.600) 32.748 34.636 ( -18.181 -10.497 1.145) 21.025 35.376 ( -5.549 -3.204 0.726) 6.449 37.517 ( -2.452 -1.416 -0.111) 2.834 37.889 ( -1.757 -1.015 0.054) 2.030 38.677 ( 10.834 6.255 4.725) 13.372 40.066 ( 5.457 3.151 -10.436) 12.191 ======================= Grid point 834 (276/417) ======================= q-point: ( 0.44 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 16.885 9.749 0.859) 19.516 2.052 ( 16.129 9.312 0.392) 18.628 2.216 ( 12.252 7.074 -0.413) 14.154 2.734 ( 2.570 1.484 -1.707) 3.423 3.036 ( 22.707 13.110 -1.427) 26.258 3.237 ( 19.561 11.294 2.308) 22.705 3.766 ( 1.054 0.609 -0.570) 1.344 3.809 ( 0.585 0.338 0.562) 0.879 4.472 ( 7.059 4.076 -0.527) 8.168 4.672 ( 14.082 8.130 -1.607) 16.340 5.370 ( -3.285 -1.896 2.745) 4.682 5.537 ( -9.004 -5.198 -0.447) 10.406 16.606 ( -15.389 -8.885 -3.160) 18.049 20.001 ( -16.232 -9.372 3.421) 19.053 21.515 ( 14.547 8.399 -0.072) 16.797 25.464 ( 22.801 13.164 0.095) 26.328 25.882 ( 18.418 10.633 -0.498) 21.273 27.820 ( 11.234 6.486 -0.741) 12.994 34.305 ( -11.779 -6.800 -0.084) 13.601 35.238 ( -6.671 -3.851 0.490) 7.718 37.461 ( -2.446 -1.412 -0.086) 2.825 37.853 ( -1.409 -0.814 0.085) 1.630 38.873 ( 6.452 3.725 1.895) 7.687 40.073 ( -3.045 -1.758 -3.474) 4.943 ======================= Grid point 835 (277/417) ======================= q-point: ( 0.50 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 15.887 9.172 -0.523) 18.352 2.367 ( 11.967 6.909 -0.086) 13.819 2.465 ( 9.927 5.731 0.113) 11.463 2.804 ( 3.852 2.224 -0.120) 4.450 3.456 ( 15.117 8.728 -2.589) 17.647 3.619 ( 13.923 8.039 3.073) 16.368 3.784 ( 0.734 0.424 -0.933) 1.260 3.828 ( 0.871 0.503 0.882) 1.337 4.582 ( 2.465 1.423 -0.934) 2.996 4.971 ( 12.162 7.022 -0.530) 14.054 5.290 ( -6.600 -3.810 1.259) 7.724 5.391 ( -0.737 -0.425 0.238) 0.883 16.269 ( -13.899 -8.024 -2.593) 16.257 19.663 ( -14.303 -8.258 2.824) 16.755 21.822 ( 12.557 7.250 -0.240) 14.501 25.954 ( 20.417 11.788 0.087) 23.576 26.221 ( 11.986 6.920 -0.733) 13.859 27.962 ( 2.494 1.440 0.368) 2.903 34.097 ( -6.966 -4.022 -0.269) 8.049 35.086 ( -6.781 -3.915 0.288) 7.836 37.410 ( -2.033 -1.174 -0.057) 2.348 37.828 ( -0.834 -0.481 0.105) 0.968 38.989 ( 3.908 2.256 0.326) 4.524 39.943 ( -7.525 -4.345 -0.696) 8.717 ======================= Grid point 836 (278/417) ======================= q-point: ( 0.56 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 13.367 7.718 -1.219) 15.483 2.587 ( 7.739 4.468 -0.577) 8.955 2.657 ( 7.005 4.044 0.618) 8.112 2.899 ( 4.250 2.454 0.980) 5.004 3.710 ( 8.407 4.854 -3.060) 10.179 3.798 ( 0.638 0.368 -0.557) 0.923 3.847 ( 0.681 0.393 0.495) 0.929 3.871 ( 7.978 4.606 3.134) 9.731 4.585 ( -1.377 -0.795 -0.738) 1.753 5.057 ( -6.551 -3.782 0.904) 7.618 5.272 ( 8.076 4.663 -0.596) 9.345 5.455 ( 4.642 2.680 0.471) 5.381 15.987 ( -10.533 -6.081 -1.802) 12.296 19.382 ( -10.926 -6.308 1.806) 12.745 22.066 ( 9.060 5.231 -0.355) 10.468 26.358 ( 15.179 8.763 0.057) 17.527 26.425 ( 6.604 3.813 -0.902) 7.678 27.971 ( -1.078 -0.623 0.597) 1.381 33.981 ( -3.521 -2.033 -0.255) 4.074 34.945 ( -5.626 -3.248 0.178) 6.498 37.372 ( -1.378 -0.795 -0.025) 1.591 37.816 ( -0.340 -0.196 0.108) 0.407 39.059 ( 2.572 1.485 -0.379) 2.993 39.762 ( -8.051 -4.648 0.341) 9.303 ======================= Grid point 837 (279/417) ======================= q-point: ( 0.62 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 8.301 4.792 -1.274) 9.669 2.713 ( 3.652 2.109 -0.956) 4.324 2.779 ( 3.728 2.153 0.992) 4.418 2.984 ( 2.774 1.602 1.321) 3.465 3.810 ( 0.529 0.305 -0.062) 0.614 3.837 ( 3.856 2.226 -2.501) 5.106 3.858 ( 0.228 0.132 0.005) 0.263 3.992 ( 2.448 1.414 2.167) 3.562 4.547 ( -1.410 -0.814 -0.622) 1.743 4.914 ( -5.020 -2.898 0.865) 5.861 5.434 ( 5.339 3.083 0.168) 6.167 5.555 ( 3.502 2.022 -0.172) 4.047 15.802 ( -5.487 -3.168 -1.074) 6.426 19.191 ( -6.194 -3.576 0.877) 7.206 22.220 ( 4.727 2.729 -0.416) 5.474 26.525 ( 2.798 1.615 -1.030) 3.391 26.620 ( 8.030 4.636 0.018) 9.273 27.940 ( -1.404 -0.811 0.622) 1.736 33.928 ( -1.343 -0.775 -0.264) 1.573 34.845 ( -3.198 -1.846 0.176) 3.696 37.349 ( -0.659 -0.380 0.007) 0.761 37.811 ( -0.100 -0.058 0.092) 0.148 39.106 ( 1.689 0.975 -0.649) 2.055 39.607 ( -5.367 -3.098 0.708) 6.237 ======================= Grid point 838 (280/417) ======================= q-point: (-0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( -0.056 -0.032 -1.139) 1.141 2.749 ( -0.200 -0.116 -1.065) 1.090 2.826 ( 0.197 0.114 1.097) 1.120 3.019 ( 0.079 0.046 1.193) 1.197 3.820 ( 0.321 0.186 0.353) 0.512 3.857 ( -0.326 -0.188 -0.411) 0.557 3.889 ( 1.166 0.673 -1.461) 1.986 4.004 ( -1.086 -0.627 0.918) 1.554 4.527 ( -0.251 -0.145 -0.613) 0.678 4.859 ( 0.092 0.053 1.076) 1.081 5.499 ( 0.403 0.233 0.660) 0.808 5.591 ( -0.377 -0.218 -0.663) 0.793 15.744 ( 0.564 0.326 -0.601) 0.886 19.115 ( -0.615 -0.355 0.301) 0.771 22.273 ( 0.044 0.026 -0.432) 0.435 26.554 ( 0.032 0.019 -1.104) 1.105 26.711 ( -0.037 -0.021 -0.014) 0.045 27.923 ( -0.089 -0.051 0.606) 0.614 33.913 ( -0.020 -0.011 -0.298) 0.299 34.809 ( 0.080 0.046 0.232) 0.249 37.342 ( 0.036 0.021 0.035) 0.055 37.810 ( -0.064 -0.037 0.062) 0.096 39.127 ( 0.098 0.057 -0.706) 0.715 39.544 ( -0.091 -0.053 0.793) 0.800 ======================= Grid point 839 (281/417) ======================= q-point: (-0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( -8.515 -4.916 -1.530) 9.951 2.700 ( -3.941 -2.275 -0.947) 4.648 2.791 ( -3.440 -1.986 0.984) 4.092 2.994 ( -2.455 -1.418 1.523) 3.218 3.826 ( 0.111 0.064 0.624) 0.637 3.842 ( -0.880 -0.508 -0.693) 1.230 3.862 ( -3.529 -2.037 -2.350) 4.704 3.967 ( -2.747 -1.586 2.102) 3.805 4.538 ( 1.478 0.853 -0.850) 1.906 4.918 ( 4.625 2.671 0.973) 5.429 5.456 ( -4.337 -2.504 1.058) 5.119 5.534 ( -4.382 -2.530 -1.037) 5.165 15.824 ( 6.544 3.778 -0.486) 7.572 19.165 ( 5.021 2.899 0.196) 5.801 22.220 ( -4.654 -2.687 -0.413) 5.390 26.522 ( -2.717 -1.569 -1.105) 3.326 26.619 ( -8.093 -4.673 -0.025) 9.345 27.939 ( 1.244 0.718 0.584) 1.551 33.927 ( 1.365 0.788 -0.306) 1.605 34.849 ( 3.281 1.895 0.279) 3.799 37.350 ( 0.725 0.419 0.053) 0.839 37.809 ( -0.016 -0.009 0.024) 0.030 39.106 ( -1.724 -0.996 -0.658) 2.097 39.608 ( 5.435 3.138 0.738) 6.319 ======================= Grid point 840 (282/417) ======================= q-point: (-0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -13.719 -7.921 -1.908) 15.956 2.567 ( -7.853 -4.534 -0.746) 9.098 2.677 ( -6.866 -3.964 0.799) 7.969 2.924 ( -3.790 -2.188 1.736) 4.708 3.724 ( -8.446 -4.876 -2.834) 10.156 3.815 ( -1.315 -0.759 -0.966) 1.799 3.829 ( -0.035 -0.020 0.873) 0.874 3.854 ( -8.254 -4.765 2.816) 9.938 4.583 ( 2.010 1.160 -0.848) 2.471 5.046 ( 5.454 3.149 0.635) 6.330 5.323 ( -6.744 -3.893 0.800) 7.828 5.413 ( -5.414 -3.126 -0.664) 6.287 16.027 ( 11.379 6.570 -0.747) 13.161 19.335 ( 9.943 5.741 0.568) 11.495 22.065 ( -9.028 -5.212 -0.362) 10.431 26.355 ( -15.212 -8.783 -0.015) 17.566 26.420 ( -6.511 -3.759 -1.034) 7.589 27.969 ( 1.012 0.584 0.548) 1.291 33.980 ( 3.643 2.103 -0.284) 4.216 34.950 ( 5.561 3.211 0.314) 6.430 37.375 ( 1.427 0.824 0.059) 1.648 37.811 ( 0.257 0.148 -0.015) 0.297 39.052 ( -2.967 -1.713 -0.569) 3.473 39.772 ( 8.580 4.953 0.600) 9.925 ======================= Grid point 847 (283/417) ======================= q-point: ( 0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( 0.000 9.076 13.421) 16.202 0.612 ( -0.000 27.633 2.570) 27.752 0.907 ( -0.000 42.881 1.739) 42.916 1.403 ( -0.000 9.787 -1.582) 9.914 1.569 ( -0.000 24.450 -0.782) 24.462 2.781 ( -0.000 -1.314 -5.097) 5.263 3.678 ( 0.000 0.279 0.712) 0.764 3.811 ( -0.000 0.335 -0.587) 0.676 3.822 ( -0.000 7.038 -2.397) 7.435 3.951 ( -0.000 12.681 -2.392) 12.905 5.647 ( 0.000 -6.440 5.051) 8.185 6.049 ( 0.000 -5.606 0.279) 5.613 17.508 ( 0.000 -10.996 -0.207) 10.998 20.684 ( -0.000 7.448 0.428) 7.460 21.069 ( -0.000 -12.893 -8.469) 15.426 24.045 ( -0.000 73.397 -33.357) 80.621 24.220 ( -0.000 10.774 0.017) 10.774 24.721 ( -0.000 109.790 -45.408) 118.810 35.542 ( 0.000 -2.948 1.469) 3.294 35.901 ( 0.000 -49.894 19.017) 53.395 37.605 ( 0.000 -1.242 -0.127) 1.248 37.945 ( -0.000 21.927 7.658) 23.226 37.955 ( 0.000 -1.213 -0.041) 1.213 39.218 ( -0.000 51.857 -47.345) 70.219 ======================= Grid point 848 (284/417) ======================= q-point: ( 0.31 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 8.246 12.781 8.305) 17.330 1.026 ( 14.654 23.789 1.614) 27.987 1.487 ( 18.070 32.029 0.119) 36.775 1.586 ( 8.715 16.400 -0.987) 18.598 1.963 ( 15.061 25.573 0.089) 29.679 2.752 ( -0.676 -0.969 -4.497) 4.649 3.701 ( 1.461 0.629 0.838) 1.798 3.800 ( -0.420 0.800 -0.862) 1.248 3.979 ( 8.356 7.447 -1.372) 11.276 4.081 ( 1.936 12.038 -1.521) 12.287 5.578 ( -2.575 -4.388 4.133) 6.555 5.954 ( -3.784 -6.715 -0.539) 7.727 17.336 ( -6.493 -12.349 -1.694) 14.055 20.832 ( -6.352 -10.988 -2.007) 12.850 20.846 ( 4.725 7.517 -0.083) 8.879 24.278 ( 7.427 10.726 -1.693) 13.156 24.766 ( 19.000 26.339 0.731) 32.485 26.082 ( 40.440 76.415 -34.105) 92.940 35.315 ( -17.337 -30.330 8.386) 35.928 35.509 ( -2.898 -3.920 1.194) 5.019 37.585 ( -0.872 -1.326 -0.146) 1.593 37.933 ( -0.669 -1.519 0.106) 1.663 38.268 ( 9.923 17.816 8.656) 22.154 39.676 ( 13.664 24.357 -31.298) 41.947 ======================= Grid point 849 (285/417) ======================= q-point: ( 0.38 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 12.624 13.114 4.217) 18.685 1.504 ( 15.718 20.261 1.019) 25.663 1.840 ( 9.715 14.080 -1.147) 17.144 2.188 ( 23.938 26.400 -0.452) 35.640 2.492 ( 18.587 21.059 0.760) 28.099 2.738 ( 1.188 0.767 -2.972) 3.291 3.736 ( 1.177 1.546 0.678) 2.058 3.804 ( 0.012 1.009 -0.694) 1.225 4.218 ( 10.307 7.285 1.361) 12.695 4.248 ( 5.988 10.923 -3.521) 12.945 5.494 ( -3.415 -4.080 3.522) 6.381 5.801 ( -6.067 -7.092 -0.783) 9.366 17.056 ( -10.651 -13.715 -2.840) 17.595 20.505 ( -12.424 -14.482 1.768) 19.163 21.130 ( 9.359 17.136 0.174) 19.526 24.592 ( 20.614 4.430 -0.354) 21.088 25.324 ( 15.919 27.456 0.196) 31.737 27.159 ( 28.201 36.269 -9.484) 46.911 34.797 ( -16.261 -18.634 2.216) 24.831 35.418 ( -3.911 -4.561 0.810) 6.062 37.550 ( -2.037 -0.665 -0.135) 2.147 37.904 ( -1.089 -1.249 0.086) 1.659 38.587 ( 9.468 9.808 6.074) 14.924 39.977 ( 7.991 9.436 -14.621) 19.149 ======================= Grid point 850 (286/417) ======================= q-point: ( 0.44 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 14.425 12.362 1.586) 19.064 1.936 ( 13.471 17.366 0.544) 21.985 2.135 ( 9.397 13.327 -0.726) 16.323 2.714 ( 3.332 4.420 -2.719) 6.167 2.808 ( 19.958 17.293 -0.312) 26.410 3.037 ( 18.968 14.996 1.836) 24.250 3.771 ( 0.546 2.476 -0.075) 2.536 3.818 ( 0.120 1.857 0.026) 1.861 4.411 ( 6.027 6.726 -0.033) 9.031 4.518 ( 12.985 9.018 -2.047) 15.941 5.404 ( -3.284 -3.690 3.253) 5.915 5.615 ( -7.468 -7.215 -0.872) 10.420 16.718 ( -12.262 -14.176 -3.118) 19.001 20.156 ( -13.764 -12.862 3.218) 19.111 21.470 ( 8.935 20.248 -0.029) 22.132 25.025 ( 27.841 -0.526 -0.049) 27.846 25.814 ( 13.152 22.267 -0.346) 25.863 27.743 ( 12.739 18.806 -1.764) 22.783 34.420 ( -11.847 -11.352 0.190) 16.409 35.292 ( -5.212 -5.670 0.587) 7.724 37.506 ( -2.897 0.414 -0.102) 2.928 37.876 ( -1.412 -0.206 0.086) 1.430 38.800 ( 6.904 4.349 2.760) 8.614 40.070 ( 0.561 -0.244 -5.333) 5.368 ======================= Grid point 851 (287/417) ======================= q-point: ( 0.50 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 14.789 11.144 -0.091) 18.518 2.290 ( 9.961 14.692 0.079) 17.751 2.400 ( 7.900 11.176 -0.320) 13.690 2.784 ( 2.366 4.480 -0.357) 5.079 3.271 ( 16.884 11.160 -2.039) 20.341 3.457 ( 15.403 9.702 2.588) 18.387 3.803 ( -0.050 3.762 -0.698) 3.827 3.846 ( 0.107 3.434 0.667) 3.500 4.549 ( 3.826 3.754 -0.844) 5.426 4.822 ( 13.346 7.673 -0.931) 15.422 5.335 ( -2.506 -3.334 3.050) 5.167 5.421 ( -6.172 -5.744 -1.202) 8.517 16.371 ( -11.780 -13.742 -2.698) 18.299 19.815 ( -13.613 -10.684 2.959) 17.556 21.806 ( 6.699 21.095 -0.202) 22.134 25.488 ( 30.108 -5.752 -0.003) 30.653 26.184 ( 9.373 14.829 -0.616) 17.553 28.002 ( 2.017 11.915 0.130) 12.086 34.171 ( -7.694 -6.524 -0.238) 10.091 35.141 ( -5.721 -6.345 0.375) 8.551 37.463 ( -3.387 1.754 -0.062) 3.815 37.855 ( -1.533 1.173 0.090) 1.933 38.927 ( 5.046 1.119 0.734) 5.221 39.991 ( -4.700 -5.956 -1.390) 7.713 ======================= Grid point 852 (288/417) ======================= q-point: ( 0.56 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 13.757 9.243 -0.988) 16.603 2.554 ( 5.943 12.104 -0.375) 13.489 2.612 ( 6.145 8.370 0.090) 10.384 2.880 ( 2.604 5.798 0.984) 6.431 3.576 ( 11.041 4.492 -2.431) 12.165 3.724 ( 8.031 1.518 1.503) 8.311 3.860 ( 1.392 7.538 0.418) 7.677 3.892 ( 0.058 6.165 0.627) 6.197 4.594 ( -0.328 0.230 -0.816) 0.909 5.072 ( 5.815 2.098 0.495) 6.202 5.207 ( -1.815 -3.409 -0.241) 3.870 5.397 ( 3.834 0.359 0.557) 3.891 16.059 ( -9.363 -12.341 -1.967) 15.616 19.513 ( -11.934 -7.803 2.041) 14.404 22.091 ( 3.162 20.224 -0.321) 20.473 25.903 ( 28.282 -10.740 -0.068) 30.253 26.415 ( 6.037 6.745 -0.734) 9.081 28.085 ( -4.197 10.653 0.534) 11.463 34.024 ( -4.415 -3.105 -0.266) 5.404 34.987 ( -5.034 -6.403 0.229) 8.148 37.428 ( -3.547 3.131 -0.021) 4.731 37.847 ( -1.631 2.518 0.089) 3.001 39.004 ( 4.067 -0.782 -0.210) 4.147 39.820 ( -6.446 -8.266 0.092) 10.483 ======================= Grid point 853 (289/417) ======================= q-point: ( 0.62 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 10.687 6.096 -1.107) 12.353 2.723 ( 1.896 9.611 -0.721) 9.823 2.772 ( 4.168 6.711 0.403) 7.910 2.970 ( 1.285 4.634 1.461) 5.026 3.732 ( 6.173 -0.036 -1.807) 6.432 3.794 ( 1.818 -0.395 0.009) 1.861 3.935 ( -1.322 7.898 -0.520) 8.025 3.997 ( 2.051 6.507 2.113) 7.142 4.563 ( -1.837 -1.182 -0.696) 2.292 4.968 ( -5.962 -5.388 0.777) 8.074 5.341 ( 8.469 2.190 0.001) 8.747 5.489 ( 5.415 0.473 -0.002) 5.436 15.823 ( -5.103 -9.933 -1.247) 11.237 19.282 ( -8.669 -4.367 1.100) 9.769 22.295 ( -1.174 18.295 -0.388) 18.337 26.219 ( 23.325 -13.576 -0.206) 26.989 26.520 ( 4.215 -2.142 -0.742) 4.785 28.096 ( -7.215 12.117 0.582) 14.114 33.952 ( -2.227 -0.769 -0.263) 2.371 34.859 ( -2.984 -5.725 0.181) 6.458 37.405 ( -3.463 4.292 0.016) 5.516 37.848 ( -1.877 3.516 0.079) 3.986 39.054 ( 3.631 -1.888 -0.586) 4.135 39.640 ( -4.919 -8.022 0.620) 9.430 ======================= Grid point 854 (290/417) ======================= q-point: ( 0.69 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 4.603 1.314 -0.681) 4.835 2.803 ( -1.929 7.343 -0.867) 7.642 2.883 ( 0.434 7.352 0.477) 7.381 3.005 ( -0.274 0.172 1.122) 1.168 3.789 ( 2.162 -2.016 -1.501) 3.316 3.818 ( 1.700 0.300 0.667) 1.851 3.977 ( -2.925 8.235 -0.720) 8.769 4.049 ( -2.053 3.874 1.073) 4.514 4.528 ( -0.680 -0.928 -0.586) 1.291 4.859 ( -1.675 -3.137 0.997) 3.694 5.458 ( 4.277 -0.778 0.532) 4.380 5.559 ( 2.983 -1.518 -0.536) 3.390 15.700 ( 0.560 -6.725 -0.753) 6.790 19.150 ( -4.031 -0.781 0.468) 4.133 22.401 ( -5.883 15.813 -0.414) 16.878 26.423 ( 16.233 -12.506 -0.404) 20.496 26.517 ( 3.785 -11.930 -0.637) 12.533 28.092 ( -8.252 13.754 0.556) 16.049 33.925 ( -1.012 0.551 -0.290) 1.188 34.786 ( 0.217 -4.251 0.204) 4.261 37.395 ( -3.193 5.053 0.043) 5.977 37.850 ( -2.236 3.962 0.062) 4.550 39.086 ( 2.873 -2.774 -0.712) 4.057 39.523 ( -0.657 -5.833 0.794) 5.923 ======================= Grid point 855 (291/417) ======================= q-point: (-0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( -3.683 -3.397 -0.736) 5.064 2.798 ( -5.732 5.262 -0.847) 7.827 2.901 ( -6.754 5.956 0.527) 9.020 2.993 ( 0.751 -2.397 1.020) 2.711 3.785 ( 0.693 -2.746 -0.971) 2.994 3.838 ( 0.215 -0.648 0.384) 0.783 3.979 ( -5.721 6.152 -0.832) 8.443 4.035 ( -3.443 3.800 1.027) 5.230 4.521 ( 0.760 -0.176 -0.652) 1.017 4.863 ( 3.579 -0.096 1.038) 3.728 5.470 ( -0.508 -3.529 0.891) 3.675 5.548 ( -1.064 -3.854 -0.896) 4.097 15.712 ( 6.710 -3.225 -0.604) 7.469 19.137 ( 1.415 2.427 0.296) 2.825 22.402 ( -10.663 13.088 -0.409) 16.887 26.415 ( 2.821 -20.404 -0.521) 20.605 26.524 ( 8.337 -9.079 -0.543) 12.338 28.090 ( -7.977 13.863 0.539) 16.004 33.923 ( 0.002 1.128 -0.304) 1.168 34.788 ( 3.724 -2.224 0.232) 4.344 37.396 ( -2.703 5.349 0.057) 5.993 37.849 ( -2.446 3.829 0.043) 4.544 39.087 ( 1.099 -3.778 -0.707) 3.997 39.523 ( 5.264 -2.440 0.793) 5.856 ======================= Grid point 856 (292/417) ======================= q-point: (-0.19 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( -11.043 -6.127 -1.360) 12.702 2.709 ( -9.608 3.187 -0.669) 10.145 2.801 ( -8.587 1.092 0.463) 8.669 2.968 ( -2.871 -0.498 1.495) 3.275 3.744 ( -1.911 -4.728 -1.459) 5.304 3.809 ( -1.679 -2.852 0.023) 3.310 3.920 ( -6.356 4.482 -0.285) 7.782 3.989 ( -6.976 2.827 1.608) 7.697 4.554 ( 2.516 1.234 -0.831) 2.923 4.967 ( 6.775 1.968 0.817) 7.103 5.380 ( -4.910 -5.586 0.781) 7.478 5.455 ( -4.031 -4.900 -0.743) 6.388 15.855 ( 12.215 -0.073 -0.829) 12.243 19.244 ( 6.907 4.802 0.616) 8.435 22.296 ( -15.227 10.279 -0.378) 18.376 26.210 ( 0.235 -27.060 -0.327) 27.063 26.524 ( -0.412 -4.469 -0.685) 4.540 28.093 ( -6.977 12.119 0.540) 13.994 33.950 ( 1.864 1.583 -0.286) 2.462 34.864 ( 6.463 -0.282 0.246) 6.474 37.408 ( -1.934 5.211 0.054) 5.559 37.844 ( -2.205 3.299 0.026) 3.969 39.051 ( -0.417 -4.138 -0.614) 4.204 39.644 ( 9.715 0.318 0.666) 9.743 ======================= Grid point 864 (293/417) ======================= q-point: ( 0.31 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 0.000 15.752 7.077) 17.269 1.148 ( -0.000 26.239 1.383) 26.276 1.645 ( -0.000 14.908 -1.319) 14.966 1.720 ( -0.000 39.784 0.186) 39.785 2.129 ( -0.000 31.217 0.462) 31.220 2.740 ( -0.000 -0.639 -4.286) 4.334 3.691 ( 0.000 0.764 0.620) 0.984 3.816 ( -0.000 0.440 -0.501) 0.666 3.987 ( -0.000 10.572 -0.972) 10.617 4.193 ( -0.000 13.065 -1.787) 13.186 5.560 ( 0.000 -5.268 4.315) 6.809 5.910 ( 0.000 -8.261 -1.019) 8.323 17.255 ( 0.000 -14.701 -2.060) 14.844 20.736 ( 0.000 -18.019 -0.894) 18.042 20.890 ( -0.000 13.292 0.310) 13.296 24.519 ( -0.000 19.605 0.045) 19.605 24.761 ( -0.000 32.597 -0.629) 32.603 26.456 ( -0.000 70.715 -23.083) 74.387 35.153 ( 0.000 -32.194 5.712) 32.697 35.494 ( 0.000 -4.852 1.020) 4.958 37.570 ( 0.000 -2.249 -0.133) 2.253 37.924 ( 0.000 -1.944 0.023) 1.944 38.389 ( 0.000 18.108 8.471) 19.991 39.762 ( -0.000 24.819 -25.526) 35.603 ======================= Grid point 865 (294/417) ======================= q-point: ( 0.38 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 6.185 16.331 4.490) 18.031 1.495 ( 10.575 23.279 1.081) 25.591 1.850 ( 6.369 15.983 -1.221) 17.248 2.185 ( 10.854 33.432 -0.545) 35.154 2.505 ( 8.608 28.617 1.025) 29.901 2.729 ( -0.005 0.664 -3.263) 3.330 3.720 ( 1.982 1.075 0.662) 2.350 3.817 ( -0.179 1.167 -0.655) 1.350 4.150 ( 6.449 10.218 -0.055) 12.083 4.318 ( 0.506 13.074 -2.173) 13.263 5.501 ( -1.810 -5.312 3.996) 6.889 5.798 ( -2.995 -8.715 -1.219) 9.296 17.046 ( -6.127 -16.142 -2.698) 17.475 20.506 ( -6.006 -17.775 1.716) 18.840 21.129 ( 10.266 16.593 0.185) 19.513 24.585 ( -6.087 20.146 -0.279) 21.047 25.304 ( 18.009 27.563 0.402) 32.927 27.153 ( 16.388 43.594 -9.236) 47.479 34.803 ( -8.245 -23.744 2.116) 25.224 35.424 ( -2.407 -5.551 0.733) 6.095 37.551 ( 0.317 -2.020 -0.154) 2.050 37.901 ( -0.295 -1.683 0.123) 1.713 38.595 ( 3.888 12.209 6.101) 14.191 39.957 ( 3.834 13.482 -14.452) 20.133 ======================= Grid point 866 (295/417) ======================= q-point: ( 0.44 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 9.822 15.379 2.195) 18.380 1.910 ( 12.409 20.422 0.799) 23.910 2.130 ( 8.237 15.449 -1.146) 17.545 2.671 ( 11.646 20.032 -2.618) 23.319 2.761 ( 3.552 7.678 -0.422) 8.471 2.939 ( 12.672 21.621 1.625) 25.113 3.774 ( 2.259 2.157 0.571) 3.175 3.834 ( 0.365 2.274 -0.667) 2.398 4.371 ( 7.978 7.680 1.376) 11.159 4.467 ( 3.676 12.897 -3.391) 13.833 5.419 ( -2.605 -5.024 3.624) 6.720 5.641 ( -5.131 -8.734 -1.216) 10.202 16.743 ( -9.640 -16.850 -2.924) 19.631 20.215 ( -9.182 -16.119 3.005) 18.793 21.515 ( 12.441 21.424 -0.004) 24.774 24.750 ( 6.941 11.600 -0.072) 13.518 25.810 ( 13.122 21.933 -0.127) 25.559 27.729 ( 13.673 24.095 -2.256) 27.796 34.467 ( -8.838 -15.291 0.328) 17.665 35.311 ( -4.094 -6.715 0.529) 7.882 37.539 ( -0.359 -0.442 -0.157) 0.591 37.887 ( -0.166 -0.560 0.166) 0.608 38.761 ( 3.986 6.200 3.134) 8.010 40.052 ( 0.616 2.001 -6.126) 6.474 ======================= Grid point 867 (296/417) ======================= q-point: ( 0.50 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 11.652 13.802 0.528) 18.071 2.292 ( 10.082 18.353 0.499) 20.945 2.396 ( 6.811 12.858 -1.121) 14.594 2.803 ( 2.265 6.658 -0.546) 7.054 3.129 ( 13.764 15.074 -1.491) 20.467 3.331 ( 12.500 13.588 2.137) 18.587 3.837 ( 1.352 4.439 -0.028) 4.641 3.875 ( 1.111 4.147 -0.069) 4.294 4.532 ( 3.689 5.412 0.057) 6.550 4.697 ( 9.990 10.149 -1.872) 14.363 5.340 ( -2.047 -4.307 3.366) 5.837 5.458 ( -6.179 -8.076 -1.393) 10.263 16.401 ( -10.483 -16.841 -2.597) 20.007 19.910 ( -10.517 -13.451 2.902) 17.319 21.930 ( 8.880 26.062 -0.167) 27.534 25.021 ( 17.624 0.586 0.031) 17.634 26.165 ( 8.710 13.575 -0.480) 16.136 28.076 ( 5.952 15.229 -0.097) 16.351 34.218 ( -6.751 -9.041 -0.169) 11.285 35.163 ( -5.080 -7.736 0.343) 9.261 37.530 ( -1.518 2.010 -0.114) 2.522 37.887 ( -0.302 1.321 0.148) 1.363 38.865 ( 3.514 1.682 1.081) 4.043 39.996 ( -3.610 -5.996 -1.945) 7.264 ======================= Grid point 868 (297/417) ======================= q-point: ( 0.56 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 11.984 11.700 -0.464) 16.755 2.593 ( 5.857 10.702 0.371) 12.206 2.603 ( 5.567 14.028 -0.993) 15.125 2.928 ( 2.065 10.524 0.836) 10.758 3.438 ( 10.729 6.926 -1.912) 12.913 3.610 ( 8.981 4.908 1.728) 10.379 3.917 ( 1.465 8.027 0.033) 8.160 3.951 ( 1.236 7.106 0.263) 7.218 4.603 ( 0.361 2.020 -0.600) 2.138 4.955 ( 10.642 6.195 -0.502) 12.324 5.230 ( -5.848 -7.847 0.871) 9.825 5.347 ( 0.998 -1.856 0.258) 2.123 16.068 ( -9.124 -16.005 -1.951) 18.526 19.623 ( -10.405 -9.869 2.105) 14.494 22.299 ( 2.927 28.941 -0.262) 29.090 25.332 ( 24.039 -9.423 0.011) 25.820 26.364 ( 5.138 3.862 -0.627) 6.458 28.252 ( -0.500 12.839 0.408) 12.856 34.062 ( -4.242 -4.426 -0.225) 6.135 34.998 ( -5.013 -8.344 0.202) 9.736 37.527 ( -2.741 4.702 -0.046) 5.442 37.902 ( -0.776 3.521 0.110) 3.607 38.923 ( 3.467 -1.542 0.020) 3.794 39.829 ( -5.779 -10.217 -0.220) 11.740 ======================= Grid point 869 (298/417) ======================= q-point: ( 0.62 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 10.510 8.811 -0.716) 13.733 2.743 ( 5.183 4.534 0.107) 6.887 2.815 ( 1.706 14.454 -0.400) 14.560 3.054 ( -0.648 11.498 1.013) 11.560 3.624 ( 7.199 1.872 -1.655) 7.620 3.740 ( 4.265 0.167 0.665) 4.319 4.032 ( 0.699 9.783 -0.162) 9.810 4.051 ( 1.125 9.017 1.059) 9.149 4.587 ( -2.317 -0.467 -0.562) 2.430 5.011 ( -5.768 -6.719 0.646) 8.879 5.205 ( 9.131 1.459 -0.273) 9.251 5.395 ( 5.016 -0.950 0.213) 5.110 15.790 ( -5.766 -14.176 -1.276) 15.357 19.387 ( -8.879 -5.727 1.207) 10.634 22.580 ( -3.454 29.529 -0.298) 29.732 25.633 ( 26.172 -15.986 -0.059) 30.668 26.417 ( 2.703 -5.875 -0.696) 6.504 28.333 ( -4.570 13.303 0.475) 14.074 33.982 ( -2.299 -1.005 -0.217) 2.518 34.843 ( -3.549 -8.382 0.138) 9.103 37.529 ( -3.856 7.060 0.022) 8.045 37.926 ( -1.633 5.494 0.068) 5.732 38.958 ( 3.881 -3.706 -0.442) 5.384 39.628 ( -5.042 -11.470 0.433) 12.537 ======================= Grid point 870 (299/417) ======================= q-point: ( 0.69 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 6.404 4.812 -0.256) 8.015 2.861 ( 5.113 1.628 0.463) 5.386 2.938 ( -2.272 12.178 -0.641) 12.404 3.117 ( -4.660 10.173 0.390) 11.197 3.723 ( 4.007 -0.212 -1.546) 4.300 3.790 ( 2.222 -0.201 0.725) 2.346 4.115 ( -2.188 10.581 -0.733) 10.830 4.142 ( -1.380 7.916 1.449) 8.165 4.537 ( -2.043 -1.011 -0.560) 2.347 4.861 ( -3.587 -5.959 0.736) 6.994 5.349 ( 7.106 -1.484 0.370) 7.269 5.467 ( 4.989 -2.758 -0.371) 5.713 15.607 ( -0.704 -11.391 -0.789) 11.440 19.227 ( -5.941 -1.632 0.556) 6.186 22.752 ( -9.387 28.207 -0.304) 29.730 25.892 ( 24.385 -18.878 -0.062) 30.838 26.353 ( 2.016 -13.880 -0.791) 14.048 28.369 ( -6.905 14.119 0.447) 15.723 33.954 ( -1.402 1.204 -0.240) 1.863 34.729 ( -0.544 -7.605 0.144) 7.626 37.533 ( -4.732 8.619 0.071) 9.833 37.949 ( -2.832 6.704 0.032) 7.277 38.983 ( 4.277 -5.017 -0.622) 6.622 39.461 ( -1.562 -10.488 0.677) 10.625 ======================= Grid point 871 (300/417) ======================= q-point: (-0.25 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( -0.327 0.302 0.156) 0.472 2.932 ( 2.719 -2.421 0.778) 3.723 2.976 ( -5.620 9.652 -0.931) 11.207 3.109 ( -7.500 10.531 -0.176) 12.930 3.749 ( 0.953 -1.636 -1.479) 2.403 3.822 ( 1.311 -0.406 0.915) 1.650 4.151 ( -5.868 6.507 0.490) 8.776 4.162 ( -4.396 10.353 -0.112) 11.248 4.508 ( -0.150 -0.725 -0.416) 0.849 4.802 ( 1.982 -3.097 0.847) 3.773 5.409 ( 3.223 -4.392 0.741) 5.498 5.491 ( 2.297 -5.065 -0.757) 5.613 15.550 ( 5.347 -8.006 -0.613) 9.647 19.163 ( -1.776 1.733 0.322) 2.503 22.810 ( -14.747 25.711 -0.302) 29.642 26.032 ( 13.766 -24.786 0.125) 28.352 26.273 ( 8.354 -13.429 -1.014) 15.848 28.379 ( -8.286 14.059 0.430) 16.325 33.948 ( -1.204 1.998 -0.260) 2.348 34.687 ( 3.454 -5.754 0.159) 6.713 37.536 ( -5.188 9.105 0.089) 10.480 37.958 ( -4.004 6.747 0.016) 7.845 38.997 ( 3.583 -5.915 -0.683) 6.949 39.394 ( 4.213 -7.577 0.756) 8.702 ======================= Grid point 872 (301/417) ======================= q-point: (-0.19 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( -7.655 -3.059 -0.317) 8.249 2.895 ( -2.905 -4.093 0.561) 5.051 2.930 ( -9.558 7.666 -0.717) 12.274 3.088 ( -7.066 9.496 0.346) 11.841 3.726 ( -0.831 -2.858 -1.227) 3.220 3.812 ( -1.337 -2.358 0.462) 2.750 4.091 ( -7.819 5.546 0.113) 9.587 4.155 ( -7.028 7.048 0.598) 9.971 4.524 ( 2.047 1.095 -0.558) 2.387 4.865 ( 6.561 -0.093 0.765) 6.606 5.376 ( -1.211 -6.287 0.701) 6.441 5.443 ( -1.026 -6.175 -0.718) 6.300 15.628 ( 11.311 -4.618 -0.788) 12.243 19.203 ( 3.165 3.860 0.556) 5.023 22.753 ( -19.648 22.376 -0.303) 29.780 25.883 ( 4.046 -30.562 -0.072) 30.828 26.360 ( 11.163 -8.518 -0.782) 14.063 28.365 ( -8.973 12.865 0.448) 15.691 33.952 ( -0.323 1.809 -0.239) 1.854 34.733 ( 6.950 -3.275 0.142) 7.685 37.536 ( -5.023 8.487 0.071) 9.862 37.946 ( -4.511 5.691 0.031) 7.262 38.984 ( 2.190 -6.107 -0.626) 6.518 39.461 ( 9.904 -3.993 0.681) 10.700 ======================= Grid point 881 (302/417) ======================= q-point: ( 0.38 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -0.000 17.874 3.654) 18.244 1.630 ( -0.000 22.749 0.961) 22.769 1.944 ( -0.000 15.883 -1.048) 15.917 2.431 ( -0.000 33.103 -0.952) 33.116 2.699 ( -0.000 14.458 -1.560) 14.542 2.764 ( -0.000 16.845 -0.008) 16.845 3.712 ( 0.000 1.133 0.495) 1.237 3.823 ( -0.000 0.519 -0.381) 0.644 4.208 ( -0.000 11.922 0.118) 11.923 4.443 ( -0.000 13.739 -2.386) 13.945 5.469 ( 0.000 -5.834 4.030) 7.090 5.731 ( 0.000 -9.464 -1.408) 9.569 16.932 ( 0.000 -17.167 -2.784) 17.391 20.379 ( 0.000 -19.023 2.480) 19.184 21.185 ( -0.000 16.449 0.153) 16.449 24.958 ( -0.000 25.021 0.078) 25.021 25.366 ( -0.000 28.839 0.306) 28.841 27.389 ( -0.000 34.122 -5.247) 34.523 34.645 ( 0.000 -21.832 1.021) 21.855 35.388 ( 0.000 -6.466 0.557) 6.490 37.519 ( 0.000 -2.800 -0.144) 2.803 37.884 ( 0.000 -2.040 0.122) 2.044 38.694 ( 0.000 10.878 4.734) 11.863 40.024 ( -0.000 9.712 -10.062) 13.985 ======================= Grid point 882 (303/417) ======================= q-point: ( 0.44 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 4.425 17.645 2.339) 18.341 1.922 ( 8.831 20.026 0.830) 21.902 2.150 ( 6.180 15.133 -1.048) 16.380 2.722 ( 2.163 9.507 -3.318) 10.299 2.804 ( 4.305 20.920 0.141) 21.359 3.047 ( 3.661 25.471 1.515) 25.777 3.748 ( 2.515 1.540 0.445) 2.983 3.838 ( 1.051 1.199 -0.424) 1.650 4.355 ( 3.882 10.171 0.615) 10.904 4.572 ( -0.039 14.235 -2.697) 14.488 5.409 ( -1.386 -5.597 3.794) 6.902 5.614 ( -2.515 -9.528 -1.426) 9.957 16.704 ( -6.020 -17.546 -2.742) 18.751 20.165 ( -4.106 -18.323 2.966) 19.010 21.468 ( 13.153 17.759 0.037) 22.099 25.020 ( -14.384 23.894 0.087) 27.890 25.799 ( 13.544 22.647 0.056) 26.388 27.743 ( 9.745 20.986 -1.743) 23.204 34.420 ( -3.980 -16.229 0.173) 16.711 35.300 ( -2.553 -7.321 0.363) 7.761 37.508 ( 1.740 -2.257 -0.162) 2.855 37.872 ( 0.670 -1.354 0.187) 1.522 38.799 ( 0.589 7.370 2.789) 7.902 40.064 ( -0.779 1.665 -5.179) 5.495 ======================= Grid point 883 (304/417) ======================= q-point: ( 0.50 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 7.268 16.297 1.078) 17.877 2.284 ( 11.563 17.459 0.734) 20.954 2.404 ( 6.915 12.832 -1.352) 14.639 2.813 ( 3.684 5.934 -1.009) 7.057 3.118 ( 6.744 18.909 -0.925) 20.097 3.340 ( 5.081 18.023 1.621) 18.796 3.827 ( 4.020 3.263 0.335) 5.189 3.885 ( 2.236 3.251 -0.429) 3.969 4.513 ( 4.548 6.061 0.663) 7.607 4.716 ( 1.822 13.778 -2.469) 14.115 5.336 ( -1.943 -5.011 3.507) 6.417 5.462 ( -4.325 -8.630 -1.503) 9.769 16.396 ( -9.315 -17.428 -2.380) 19.904 19.914 ( -6.243 -15.963 2.734) 17.357 21.929 ( 18.227 20.651 -0.107) 27.545 25.018 ( -8.077 15.453 0.139) 17.437 26.161 ( 7.772 14.189 -0.279) 16.180 28.078 ( 10.072 12.932 -0.168) 16.393 34.217 ( -4.413 -10.461 -0.122) 11.354 35.166 ( -4.411 -8.176 0.203) 9.292 37.532 ( 2.382 -0.238 -0.169) 2.400 37.885 ( 1.458 0.336 0.214) 1.512 38.862 ( 0.138 3.527 1.213) 3.733 39.998 ( -3.852 -5.664 -2.030) 7.144 ======================= Grid point 884 (305/417) ======================= q-point: ( 0.56 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 8.770 14.209 0.150) 16.699 2.589 ( 4.698 8.454 -0.646) 9.693 2.637 ( 9.092 15.693 -0.065) 18.137 2.976 ( 5.648 10.444 0.394) 11.880 3.369 ( 6.377 10.365 -1.296) 12.239 3.556 ( 4.660 8.546 1.322) 9.824 3.946 ( 4.187 6.714 0.307) 7.919 3.979 ( 3.363 6.550 -0.246) 7.367 4.610 ( 1.846 2.344 0.016) 2.983 4.889 ( 5.093 9.998 -1.294) 11.295 5.238 ( -4.157 -8.345 1.693) 9.476 5.334 ( -2.060 -2.898 -0.309) 3.569 16.062 ( -9.696 -16.773 -1.787) 19.456 19.668 ( -6.975 -12.249 2.015) 14.239 22.440 ( 14.818 25.581 -0.197) 29.563 25.055 ( 1.870 2.995 0.132) 3.534 26.335 ( 2.596 4.228 -0.431) 4.980 28.323 ( 5.810 10.207 0.277) 11.748 34.075 ( -3.130 -5.543 -0.143) 6.368 35.001 ( -5.258 -8.898 0.090) 10.336 37.579 ( 1.622 2.957 -0.123) 3.375 37.927 ( 1.633 2.690 0.180) 3.152 38.881 ( 0.184 -0.104 0.267) 0.341 39.828 ( -6.260 -10.400 -0.490) 12.149 ======================= Grid point 885 (306/417) ======================= q-point: ( 0.62 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 8.799 11.470 -0.267) 14.459 2.710 ( 3.454 4.271 -0.289) 5.501 2.912 ( 5.006 15.026 0.113) 15.838 3.169 ( 2.792 12.696 0.491) 13.009 3.535 ( 5.722 4.165 -1.216) 7.181 3.676 ( 3.815 1.871 0.700) 4.306 4.089 ( 3.322 8.809 0.590) 9.433 4.114 ( 3.053 9.383 -0.199) 9.869 4.624 ( -1.453 0.451 -0.215) 1.537 5.025 ( -1.229 -3.152 0.412) 3.407 5.098 ( 2.200 -1.431 -0.532) 2.677 5.322 ( 1.931 -1.201 0.409) 2.311 15.754 ( -7.612 -15.322 -1.165) 17.148 19.458 ( -6.676 -7.704 1.194) 10.264 22.891 ( 5.375 31.235 -0.205) 31.695 25.147 ( 12.860 -9.063 0.044) 15.733 26.336 ( -0.847 -6.183 -0.482) 6.260 28.479 ( 1.238 10.125 0.339) 10.206 34.003 ( -1.532 -1.487 -0.121) 2.138 34.825 ( -4.790 -9.357 0.041) 10.512 37.638 ( -0.223 6.575 -0.033) 6.579 37.989 ( 0.937 5.205 0.108) 5.290 38.874 ( 1.188 -3.303 -0.212) 3.516 39.604 ( -6.415 -12.650 0.168) 14.184 ======================= Grid point 886 (307/417) ======================= q-point: ( 0.69 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 6.744 8.047 -0.045) 10.500 2.796 ( 3.709 1.147 0.116) 3.884 3.090 ( -0.194 13.433 -0.018) 13.434 3.295 ( -2.329 12.143 -0.207) 12.366 3.648 ( 4.807 1.382 -1.076) 5.116 3.740 ( 3.271 -0.453 0.626) 3.361 4.219 ( 1.503 8.815 0.674) 8.967 4.248 ( 0.718 11.187 -0.101) 11.211 4.583 ( -3.498 0.547 -0.290) 3.553 4.869 ( -5.118 -7.810 0.392) 9.346 5.211 ( 7.039 -1.144 0.080) 7.131 5.355 ( 4.025 -3.330 -0.101) 5.225 15.518 ( -3.457 -12.925 -0.697) 13.398 19.304 ( -5.441 -3.148 0.563) 6.311 23.207 ( -5.991 34.550 -0.161) 35.066 25.316 ( 21.472 -15.919 -0.052) 26.729 26.199 ( -1.988 -15.935 -0.526) 16.067 28.570 ( -2.273 10.520 0.315) 10.767 33.987 ( -0.708 1.683 -0.141) 1.832 34.669 ( -2.576 -9.383 0.055) 9.731 37.694 ( -2.736 9.643 0.064) 10.024 38.053 ( -0.728 7.194 0.026) 7.230 38.863 ( 2.928 -5.619 -0.438) 6.351 39.389 ( -3.785 -13.010 0.451) 13.556 ======================= Grid point 887 (308/417) ======================= q-point: ( 0.75 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 1.872 4.028 0.586) 4.480 2.853 ( 3.359 -2.009 -0.071) 3.914 3.170 ( -4.422 11.373 -0.045) 12.203 3.333 ( -6.040 11.234 -0.823) 12.782 3.709 ( 2.123 -0.566 -1.463) 2.639 3.787 ( 2.621 -0.566 1.112) 2.903 4.298 ( -2.707 8.239 0.590) 8.692 4.347 ( -2.748 12.237 0.145) 12.543 4.527 ( -3.237 0.563 -0.389) 3.309 4.746 ( -0.670 -6.020 0.471) 6.075 5.288 ( 5.502 -4.831 0.554) 7.343 5.379 ( 4.027 -6.070 -0.568) 7.306 15.395 ( 2.174 -9.755 -0.500) 10.006 19.220 ( -3.186 0.501 0.281) 3.237 23.360 ( -15.069 33.841 -0.130) 37.045 25.528 ( 20.816 -17.775 0.015) 27.372 25.998 ( 2.532 -21.926 -0.683) 22.082 28.612 ( -4.841 10.308 0.303) 11.392 33.998 ( -1.382 3.365 -0.178) 3.642 34.572 ( 1.703 -8.341 0.083) 8.513 37.728 ( -5.257 11.082 0.121) 12.266 38.095 ( -3.159 7.765 -0.029) 8.383 38.864 ( 4.203 -6.644 -0.563) 7.881 39.249 ( 1.770 -11.451 0.604) 11.603 ======================= Grid point 888 (309/417) ======================= q-point: (-0.19 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( -4.629 0.227 0.552) 4.667 2.863 ( 1.051 -3.775 -0.170) 3.922 3.166 ( -7.982 9.211 0.066) 12.188 3.322 ( -7.674 10.758 -0.706) 13.233 3.710 ( -0.128 -1.828 -1.228) 2.206 3.803 ( 0.061 -2.002 0.665) 2.110 4.279 ( -7.442 5.795 0.750) 9.462 4.365 ( -8.226 9.160 0.008) 12.311 4.513 ( 0.676 2.329 -0.214) 2.434 4.751 ( 5.646 -2.275 0.424) 6.102 5.303 ( 2.509 -6.492 0.601) 6.986 5.366 ( 2.294 -7.083 -0.642) 7.473 15.404 ( 8.321 -6.302 -0.619) 10.457 19.210 ( 0.145 2.580 0.409) 2.617 23.361 ( -21.623 30.088 -0.150) 37.052 25.522 ( 4.650 -27.080 0.082) 27.477 26.004 ( 18.170 -12.838 -0.755) 22.261 28.609 ( -6.751 9.186 0.332) 11.405 33.996 ( -2.291 2.823 -0.159) 3.639 34.575 ( 6.552 -5.525 0.050) 8.570 37.730 ( -6.863 10.166 0.102) 12.266 38.092 ( -5.310 6.479 -0.001) 8.377 38.866 ( 3.868 -6.707 -0.601) 7.766 39.246 ( 8.827 -7.492 0.638) 11.595 ======================= Grid point 898 (310/417) ======================= q-point: ( 0.44 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -0.000 18.400 2.007) 18.509 2.033 ( -0.000 18.379 0.758) 18.394 2.237 ( -0.000 14.402 -0.842) 14.427 2.754 ( -0.000 4.204 -2.572) 4.928 3.009 ( -0.000 24.781 -0.322) 24.783 3.267 ( -0.000 23.919 1.275) 23.953 3.738 ( -0.000 1.353 0.320) 1.390 3.833 ( -0.000 0.547 -0.218) 0.589 4.426 ( -0.000 9.695 0.393) 9.703 4.711 ( -0.000 14.886 -2.427) 15.082 5.374 ( 0.000 -5.312 3.761) 6.508 5.539 ( 0.000 -9.365 -1.543) 9.491 16.582 ( 0.000 -17.477 -2.506) 17.656 20.021 ( 0.000 -18.832 2.861) 19.048 21.511 ( -0.000 16.657 0.045) 16.657 25.464 ( -0.000 26.308 0.101) 26.309 25.858 ( -0.000 21.456 0.168) 21.457 27.822 ( -0.000 13.676 -0.799) 13.700 34.303 ( 0.000 -13.937 -0.031) 13.937 35.250 ( 0.000 -7.779 0.173) 7.781 37.463 ( 0.000 -2.814 -0.151) 2.818 37.849 ( 0.000 -1.580 0.198) 1.592 38.872 ( -0.000 6.557 1.946) 6.840 40.066 ( -0.000 -1.953 -3.289) 3.824 ======================= Grid point 899 (311/417) ======================= q-point: ( 0.50 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 3.024 17.740 1.401) 18.050 2.273 ( 8.050 15.750 0.702) 17.702 2.418 ( 5.264 12.662 -0.968) 13.747 2.810 ( 2.215 5.064 -1.535) 5.737 3.242 ( 1.540 19.517 -0.494) 19.584 3.486 ( 0.255 18.611 1.069) 18.643 3.786 ( 3.708 2.421 0.208) 4.433 3.862 ( 2.713 1.455 -0.183) 3.084 4.522 ( 1.672 6.133 0.252) 6.362 4.846 ( -0.515 14.711 -1.989) 14.854 5.320 ( -1.297 -5.456 3.349) 6.531 5.435 ( -2.068 -7.004 -1.456) 7.447 16.357 ( -5.981 -16.865 -2.088) 18.016 19.827 ( -2.381 -17.354 2.454) 17.688 21.802 ( 14.998 16.238 -0.015) 22.104 25.483 ( -20.092 23.142 0.196) 30.648 26.170 ( 8.582 15.483 -0.027) 17.702 28.008 ( 9.194 7.971 -0.118) 12.169 34.167 ( -1.784 -10.076 -0.088) 10.233 35.149 ( -2.793 -8.145 0.023) 8.611 37.465 ( 3.194 -2.041 -0.160) 3.794 37.853 ( 1.850 -0.708 0.217) 1.993 38.919 ( -1.354 4.542 1.066) 4.858 39.997 ( -3.011 -6.443 -1.625) 7.295 ======================= Grid point 900 (312/417) ======================= q-point: ( 0.56 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 5.011 15.942 0.731) 16.727 2.582 ( 9.759 12.361 0.498) 15.757 2.615 ( 5.935 10.156 -1.198) 11.824 2.943 ( 7.270 7.101 -0.122) 10.164 3.421 ( 1.166 12.594 -0.644) 12.664 3.622 ( -0.608 10.048 0.708) 10.091 3.913 ( 6.291 5.593 0.316) 8.424 3.959 ( 5.387 4.715 -0.272) 7.164 4.591 ( 1.949 1.489 0.153) 2.457 4.967 ( -0.496 12.281 -1.303) 12.360 5.221 ( -3.251 -8.327 1.292) 9.032 5.354 ( -2.481 -0.917 0.008) 2.645 16.062 ( -9.291 -15.818 -1.520) 18.408 19.628 ( -3.259 -14.123 1.790) 14.604 22.297 ( 23.704 16.942 -0.089) 29.136 25.329 ( -20.038 16.018 0.244) 25.654 26.357 ( 1.012 6.270 -0.183) 6.354 28.256 ( 11.245 6.093 0.147) 12.790 34.059 ( -1.637 -5.968 -0.043) 6.189 35.003 ( -4.894 -8.482 -0.063) 9.793 37.529 ( 5.390 0.016 -0.162) 5.393 37.900 ( 3.513 1.083 0.206) 3.682 38.917 ( -2.804 2.034 0.434) 3.491 39.836 ( -6.237 -9.854 -0.613) 11.679 ======================= Grid point 901 (313/417) ======================= q-point: ( 0.62 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 6.058 13.271 0.216) 14.590 2.714 ( 1.478 5.439 -0.756) 5.687 2.909 ( 10.795 11.755 0.335) 15.964 3.170 ( 9.337 8.449 0.425) 12.599 3.530 ( 1.116 6.955 -0.668) 7.075 3.680 ( -0.534 4.415 0.220) 4.453 4.087 ( 6.354 7.141 0.677) 9.582 4.119 ( 6.032 7.606 -0.523) 9.722 4.620 ( 1.454 -1.190 0.164) 1.886 5.027 ( -2.404 -3.005 0.186) 3.853 5.100 ( -2.412 1.975 -0.772) 3.212 5.321 ( -1.883 0.781 0.562) 2.114 15.751 ( -9.445 -14.250 -0.942) 17.122 19.459 ( -3.258 -9.714 1.071) 10.301 22.890 ( 24.428 20.254 -0.124) 31.732 25.145 ( -14.126 6.515 0.200) 15.558 26.334 ( -4.759 -3.927 -0.224) 6.174 28.481 ( 8.049 6.194 0.179) 10.158 34.002 ( -0.422 -2.133 0.003) 2.174 34.827 ( -5.837 -8.778 -0.085) 10.542 37.639 ( 5.723 3.151 -0.126) 6.535 37.988 ( 4.106 3.381 0.162) 5.321 38.871 ( -3.225 -0.762 0.065) 3.315 39.607 ( -7.987 -11.725 -0.111) 14.188 ======================= Grid point 902 (314/417) ======================= q-point: ( 0.69 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 5.831 10.039 0.057) 11.610 2.770 ( 1.090 2.170 -0.226) 2.439 3.167 ( 6.230 10.777 0.255) 12.451 3.381 ( 5.219 8.331 0.028) 9.831 3.608 ( 2.374 3.950 -0.429) 4.628 3.702 ( 0.293 1.041 0.019) 1.082 4.249 ( 4.203 7.326 0.550) 8.463 4.300 ( 5.426 9.510 -0.304) 10.953 4.626 ( 0.153 -0.006 0.106) 0.186 4.877 ( -5.093 -8.671 0.110) 10.057 5.136 ( 1.030 2.189 -0.400) 2.452 5.297 ( -0.740 -1.589 0.275) 1.774 15.482 ( -6.867 -11.952 -0.496) 13.793 19.338 ( -2.887 -5.034 0.495) 5.824 23.471 ( 15.807 27.381 -0.094) 31.616 25.012 ( -2.168 -3.905 0.081) 4.467 26.133 ( -8.115 -14.203 -0.231) 16.359 28.642 ( 3.724 6.536 0.151) 7.524 34.002 ( 0.825 1.334 -0.004) 1.569 34.644 ( -5.277 -9.059 -0.052) 10.484 37.772 ( 3.950 6.938 -0.041) 7.984 38.095 ( 3.191 5.462 0.087) 6.326 38.804 ( -1.905 -3.491 -0.143) 3.980 39.356 ( -7.333 -12.500 0.130) 14.493 ======================= Grid point 903 (315/417) ======================= q-point: ( 0.75 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 3.440 6.724 0.430) 7.566 2.794 ( 1.332 -1.207 -0.240) 1.813 3.318 ( -0.037 9.570 0.364) 9.577 3.495 ( -0.835 8.153 -1.065) 8.265 3.675 ( 1.344 1.936 -0.782) 2.483 3.728 ( 3.360 -0.995 0.907) 3.620 4.371 ( 2.206 6.348 0.617) 6.749 4.468 ( 2.265 11.018 -0.196) 11.250 4.623 ( -3.103 3.940 -0.017) 5.015 4.718 ( -3.825 -7.661 0.062) 8.563 5.163 ( 3.185 -3.613 0.167) 4.819 5.266 ( 1.263 -5.663 -0.186) 5.805 15.301 ( -2.199 -8.924 -0.280) 9.195 19.266 ( -2.256 -1.182 0.190) 2.554 23.894 ( -3.498 35.610 0.005) 35.782 25.044 ( 15.708 -11.414 -0.065) 19.417 25.807 ( -7.562 -23.956 -0.275) 25.122 28.735 ( -0.078 6.301 0.141) 6.303 34.046 ( 0.620 4.341 -0.059) 4.385 34.487 ( -2.320 -9.291 0.007) 9.576 37.892 ( -0.251 10.464 0.075) 10.467 38.186 ( 0.635 5.734 -0.017) 5.769 38.755 ( 1.183 -4.570 -0.300) 4.730 39.138 ( -3.364 -12.671 0.301) 13.113 ======================= Grid point 904 (316/417) ======================= q-point: (-0.19 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( -2.233 2.993 0.984) 3.862 2.801 ( 2.185 -2.747 -0.698) 3.579 3.359 ( -4.793 7.421 0.598) 8.854 3.522 ( -4.707 8.342 -1.397) 9.679 3.690 ( 0.446 -0.701 -1.034) 1.327 3.771 ( 1.868 -1.707 0.939) 2.699 4.423 ( -3.317 3.448 1.035) 4.895 4.571 ( -2.104 7.594 -0.124) 7.881 4.589 ( -7.300 8.253 -0.019) 11.018 4.639 ( 3.382 -4.584 -0.159) 5.699 5.181 ( 4.310 -5.816 0.481) 7.254 5.238 ( 3.578 -7.586 -0.511) 8.403 15.241 ( 3.665 -5.505 -0.341) 6.622 19.238 ( -1.013 0.966 0.213) 1.416 24.032 ( -19.783 34.414 0.044) 39.695 25.215 ( 8.420 -15.494 0.070) 17.634 25.537 ( 13.837 -22.771 -0.539) 26.651 28.764 ( -3.154 5.182 0.179) 6.069 34.079 ( -2.884 4.803 -0.071) 5.603 34.416 ( 4.490 -7.462 0.000) 8.708 37.946 ( -6.075 10.651 0.124) 12.263 38.218 ( -2.320 3.721 -0.047) 4.385 38.751 ( 2.434 -3.510 -0.510) 4.302 39.036 ( 5.539 -10.213 0.512) 11.630 ======================= Grid point 915 (317/417) ======================= q-point: ( 0.50 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -0.000 17.812 1.444) 17.871 2.347 ( -0.000 13.617 0.678) 13.634 2.487 ( -0.000 11.642 -0.731) 11.665 2.838 ( -0.000 5.347 -1.683) 5.606 3.411 ( -0.000 16.709 -0.175) 16.710 3.666 ( -0.000 16.649 0.586) 16.659 3.766 ( -0.000 1.402 0.099) 1.405 3.842 ( -0.000 0.486 -0.014) 0.486 4.559 ( -0.000 3.377 0.066) 3.378 4.989 ( -0.000 13.795 -1.389) 13.865 5.277 ( 0.000 -7.130 1.871) 7.371 5.405 ( 0.000 -1.741 -0.400) 1.786 16.247 ( 0.000 -15.745 -1.681) 15.834 19.681 ( 0.000 -16.903 2.013) 17.022 21.815 ( -0.000 14.365 0.046) 14.365 25.954 ( -0.000 23.560 0.101) 23.561 26.198 ( -0.000 13.705 0.258) 13.707 27.972 ( -0.000 3.152 -0.062) 3.152 34.091 ( 0.000 -8.160 -0.026) 8.160 35.096 ( 0.000 -7.909 -0.123) 7.910 37.412 ( 0.000 -2.353 -0.140) 2.357 37.826 ( 0.000 -0.887 0.202) 0.910 38.978 ( -0.000 4.144 0.759) 4.213 39.952 ( 0.000 -8.087 -1.048) 8.154 ======================= Grid point 916 (318/417) ======================= q-point: ( 0.56 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 1.795 16.447 1.178) 16.587 2.536 ( 7.706 11.081 0.655) 13.512 2.631 ( 3.965 9.682 -0.955) 10.506 2.910 ( 3.060 5.402 -0.990) 6.287 3.544 ( -1.062 11.783 -0.073) 11.831 3.738 ( -2.654 6.163 0.161) 6.712 3.866 ( 5.036 5.373 0.179) 7.366 3.903 ( 5.597 4.259 -0.078) 7.033 4.579 ( 0.485 -0.171 0.191) 0.549 5.085 ( -1.189 5.427 -0.279) 5.563 5.205 ( -2.011 -1.704 -0.334) 2.657 5.398 ( -1.624 2.557 0.601) 3.088 16.047 ( -5.996 -14.118 -1.168) 15.383 19.523 ( -0.762 -14.511 1.441) 14.602 22.085 ( 16.016 12.756 0.051) 20.475 25.897 ( -23.434 19.002 0.279) 30.171 26.402 ( 3.064 8.566 0.113) 9.098 28.094 ( 11.196 1.812 -0.012) 11.342 34.019 ( -0.443 -5.447 0.058) 5.465 34.994 ( -3.128 -7.596 -0.196) 8.217 37.430 ( 4.495 -1.509 -0.137) 4.744 37.846 ( 3.012 -0.100 0.176) 3.019 38.993 ( -2.600 2.975 0.467) 3.978 39.831 ( -4.058 -9.467 -0.588) 10.317 ======================= Grid point 917 (319/417) ======================= q-point: ( 0.62 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 3.020 13.737 0.675) 14.081 2.754 ( 1.422 7.112 -0.990) 7.320 2.808 ( 11.643 8.510 0.301) 14.424 3.063 ( 9.455 4.749 0.193) 10.582 3.608 ( -1.651 7.160 -0.063) 7.348 3.748 ( -1.840 3.795 -0.206) 4.222 4.023 ( 8.048 4.883 0.631) 9.435 4.069 ( 7.010 6.200 -0.612) 9.378 4.577 ( 0.969 -2.423 0.431) 2.645 5.017 ( -3.011 -8.064 0.078) 8.609 5.213 ( -3.462 9.000 -1.072) 9.702 5.390 ( -3.238 3.428 0.759) 4.776 15.784 ( -9.378 -12.048 -0.643) 15.281 19.391 ( -0.480 -10.678 0.846) 10.722 22.576 ( 27.411 11.726 0.025) 29.814 25.629 ( -26.825 14.635 0.304) 30.559 26.409 ( -6.297 -0.691 0.051) 6.335 28.338 ( 13.696 2.751 -0.007) 13.969 33.978 ( 0.346 -2.543 0.119) 2.569 34.847 ( -5.592 -7.265 -0.196) 9.170 37.530 ( 8.042 0.204 -0.139) 8.046 37.926 ( 5.585 1.349 0.143) 5.747 38.950 ( -5.015 1.408 0.275) 5.216 39.635 ( -7.566 -9.964 -0.324) 12.516 ======================= Grid point 918 (320/417) ======================= q-point: ( 0.69 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 3.873 10.161 0.142) 10.875 2.801 ( -1.229 3.718 -0.597) 3.961 3.089 ( 12.020 6.585 0.207) 13.708 3.289 ( 11.364 3.652 0.705) 11.957 3.641 ( -0.978 4.519 0.121) 4.626 3.748 ( -2.055 2.967 -0.602) 3.659 4.217 ( 7.762 5.790 0.735) 9.711 4.253 ( 8.339 6.280 -0.832) 10.472 4.578 ( 2.476 -2.880 0.493) 3.830 4.873 ( -4.361 -8.162 -0.223) 9.257 5.216 ( -4.706 5.702 -0.744) 7.430 5.350 ( -4.737 1.601 0.616) 5.038 15.515 ( -9.425 -9.490 -0.223) 13.376 19.306 ( 0.016 -6.305 0.355) 6.315 23.206 ( 32.996 12.078 -0.009) 35.137 25.314 ( -24.461 10.624 0.227) 26.670 26.195 ( -12.685 -9.785 0.071) 16.020 28.572 ( 10.173 3.331 -0.035) 10.705 33.986 ( 1.881 0.194 0.126) 1.895 34.671 ( -6.909 -6.912 -0.142) 9.774 37.695 ( 9.698 2.479 -0.126) 10.010 38.052 ( 6.604 2.955 0.111) 7.236 38.859 ( -6.217 -0.364 0.175) 6.230 39.393 ( -9.504 -9.677 -0.200) 13.565 ======================= Grid point 919 (321/417) ======================= q-point: ( 0.75 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 4.056 6.552 -0.199) 7.708 2.794 ( -1.771 0.400 -0.003) 1.815 3.320 ( 8.323 4.872 -0.147) 9.646 3.489 ( 7.661 3.073 0.830) 8.297 3.671 ( 1.040 1.840 0.553) 2.185 3.734 ( -2.590 2.712 -0.941) 3.866 4.373 ( 4.324 5.233 -0.092) 6.789 4.467 ( 8.374 7.445 -0.017) 11.205 4.623 ( 5.119 -0.718 0.200) 5.173 4.719 ( -4.853 -7.154 -0.157) 8.646 5.164 ( -4.873 1.063 -0.415) 5.005 5.264 ( -5.396 -1.851 0.367) 5.716 15.300 ( -6.580 -6.404 0.006) 9.181 19.266 ( 0.095 -2.529 0.058) 2.531 23.894 ( 32.606 14.794 -0.047) 35.805 25.043 ( -17.707 7.876 0.134) 19.381 25.806 ( -16.888 -18.583 0.073) 25.110 28.735 ( 5.454 3.106 -0.043) 6.277 34.046 ( 3.488 2.691 0.075) 4.406 34.487 ( -6.913 -6.649 -0.063) 9.592 37.893 ( 9.156 5.042 -0.089) 10.453 38.186 ( 4.667 3.399 0.076) 5.774 38.753 ( -4.471 -1.335 0.121) 4.667 39.140 ( -9.377 -9.172 -0.136) 13.118 ======================= Grid point 920 (322/417) ======================= q-point: ( 0.81 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( 2.542 4.403 -0.000) 5.084 2.753 ( -1.532 -2.653 0.000) 3.064 3.445 ( 1.699 2.942 -0.000) 3.397 3.602 ( 2.154 3.731 -0.000) 4.308 3.703 ( -0.125 -0.217 -0.000) 0.250 3.720 ( 0.443 0.768 -0.000) 0.887 4.474 ( 2.488 4.310 -0.000) 4.977 4.572 ( -3.351 -5.805 -0.000) 6.703 4.650 ( 3.264 5.654 -0.000) 6.529 4.713 ( 2.066 3.578 -0.000) 4.131 5.098 ( -1.033 -1.789 -0.000) 2.065 5.151 ( -2.953 -5.114 -0.000) 5.905 15.182 ( -1.728 -2.993 -0.000) 3.456 19.253 ( -0.209 -0.363 -0.000) 0.419 24.540 ( 15.651 27.108 -0.000) 31.302 24.913 ( 0.553 0.958 -0.000) 1.106 25.289 ( -16.237 -28.123 -0.000) 32.473 28.816 ( 1.149 1.991 -0.000) 2.299 34.149 ( 3.337 5.780 -0.000) 6.674 34.319 ( -4.295 -7.440 -0.000) 8.591 38.082 ( 4.691 8.126 -0.000) 9.383 38.230 ( -1.015 -1.758 -0.000) 2.030 38.730 ( 1.573 2.725 -0.000) 3.147 38.916 ( -5.465 -9.466 -0.000) 10.931 ======================= Grid point 933 (323/417) ======================= q-point: ( 0.56 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( -0.000 15.516 1.360) 15.576 2.567 ( -0.000 8.804 0.693) 8.831 2.678 ( -0.000 8.200 -0.725) 8.232 2.937 ( -0.000 5.133 -1.477) 5.342 3.664 ( -0.000 9.669 0.352) 9.675 3.792 ( -0.000 1.262 -0.136) 1.270 3.850 ( 0.000 0.292 0.203) 0.356 3.916 ( -0.000 8.996 -0.223) 8.999 4.567 ( 0.000 -1.737 0.458) 1.796 5.070 ( 0.000 -7.256 0.080) 7.257 5.279 ( -0.000 9.975 -1.192) 10.046 5.451 ( -0.000 4.665 0.856) 4.743 15.970 ( 0.000 -11.938 -0.744) 11.961 19.394 ( 0.000 -12.978 1.003) 13.017 22.058 ( -0.000 10.364 0.156) 10.365 26.357 ( -0.000 17.519 0.078) 17.519 26.402 ( -0.000 7.479 0.557) 7.500 27.983 ( 0.000 -1.136 -0.173) 1.149 33.975 ( 0.000 -4.110 0.146) 4.112 34.952 ( 0.000 -6.554 -0.266) 6.559 37.373 ( 0.000 -1.601 -0.107) 1.605 37.815 ( 0.000 -0.326 0.127) 0.350 39.047 ( -0.000 2.825 0.428) 2.857 39.775 ( 0.000 -9.066 -0.510) 9.080 ======================= Grid point 934 (324/417) ======================= q-point: ( 0.62 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 0.576 12.724 1.046) 12.780 2.708 ( 7.556 6.410 0.686) 9.932 2.787 ( 3.643 6.936 -0.978) 7.895 2.993 ( 2.507 3.122 -0.774) 4.078 3.709 ( -2.822 5.562 0.443) 6.252 3.797 ( -0.797 1.665 -0.326) 1.875 3.927 ( 7.177 2.368 0.397) 7.567 4.022 ( 4.391 4.761 -0.487) 6.495 4.548 ( -0.005 -2.222 0.694) 2.327 4.981 ( -1.768 -7.429 -0.408) 7.647 5.351 ( -2.393 8.679 -1.014) 9.060 5.481 ( -2.257 4.548 0.873) 5.152 15.813 ( -6.042 -9.317 -0.299) 11.109 19.288 ( 0.564 -9.850 0.547) 9.881 22.289 ( 16.510 8.072 0.195) 18.379 26.213 ( -23.142 13.268 0.408) 26.679 26.510 ( -4.047 2.635 0.277) 4.837 28.105 ( 13.976 -0.144 -0.222) 13.978 33.947 ( 0.479 -2.343 0.205) 2.400 34.863 ( -3.527 -5.476 -0.261) 6.519 37.407 ( 5.471 -0.861 -0.099) 5.539 37.848 ( 3.972 0.174 0.081) 3.976 39.044 ( -3.397 2.120 0.398) 4.024 39.652 ( -4.553 -8.152 -0.460) 9.348 ======================= Grid point 935 (325/417) ======================= q-point: ( 0.69 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( 1.413 8.384 0.292) 8.507 2.870 ( -1.412 5.199 -0.911) 5.464 2.931 ( 11.911 4.044 0.394) 12.585 3.117 ( 10.577 0.688 0.452) 10.610 3.708 ( -2.159 3.089 0.759) 3.844 3.799 ( -1.118 2.140 -0.772) 2.535 4.107 ( 10.092 3.543 0.627) 10.714 4.156 ( 7.782 2.454 -0.838) 8.203 4.529 ( 0.253 -2.164 0.687) 2.285 4.869 ( -3.522 -5.923 -0.618) 6.919 5.357 ( -4.915 5.548 -0.854) 7.461 5.460 ( -4.815 2.758 0.803) 5.607 15.602 ( -9.489 -6.333 0.077) 11.409 19.229 ( 1.567 -5.976 0.154) 6.180 22.748 ( 29.218 5.949 0.171) 29.818 25.890 ( -28.451 11.768 0.258) 30.790 26.345 ( -12.972 -5.336 0.380) 14.032 28.373 ( 15.602 1.109 -0.230) 15.643 33.951 ( 1.787 -0.627 0.216) 1.906 34.731 ( -6.373 -4.287 -0.197) 7.683 37.534 ( 9.851 0.210 -0.108) 9.854 37.949 ( 7.201 0.915 0.054) 7.259 38.977 ( -6.425 1.127 0.404) 6.535 39.469 ( -8.376 -6.512 -0.457) 10.619 ======================= Grid point 936 (326/417) ======================= q-point: ( 0.75 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 2.697 3.805 -0.485) 4.689 2.853 ( -3.646 1.762 -0.048) 4.050 3.170 ( 12.281 1.886 0.011) 12.425 3.328 ( 12.535 0.353 0.911) 12.573 3.702 ( -1.513 1.471 1.086) 2.373 3.794 ( -1.751 1.959 -0.979) 2.804 4.300 ( 8.770 1.951 -0.129) 8.985 4.349 ( 11.803 3.644 -0.476) 12.362 4.525 ( 2.134 -2.469 0.504) 3.303 4.749 ( -5.021 -3.606 -0.463) 6.199 5.292 ( -6.995 2.404 -0.698) 7.429 5.375 ( -7.212 0.385 0.692) 7.256 15.392 ( -9.500 -3.041 0.305) 9.979 19.221 ( 2.021 -2.474 -0.110) 3.197 23.359 ( 36.901 3.862 0.090) 37.103 25.528 ( -25.807 9.231 0.065) 27.408 25.994 ( -20.177 -8.888 0.498) 22.054 28.613 ( 11.308 0.980 -0.227) 11.353 33.997 ( 3.637 0.484 0.170) 3.673 34.573 ( -8.103 -2.705 -0.103) 8.543 37.729 ( 12.233 0.989 -0.122) 12.273 38.094 ( 8.292 1.152 0.053) 8.372 38.860 ( -7.822 0.269 0.441) 7.839 39.252 ( -10.846 -4.140 -0.479) 11.619 ======================= Grid point 951 (327/417) ======================= q-point: ( 0.62 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( -0.000 9.992 1.184) 10.062 2.695 ( -0.000 4.197 0.742) 4.262 2.797 ( -0.000 4.318 -0.768) 4.386 3.011 ( -0.000 2.803 -1.284) 3.083 3.805 ( -0.000 5.061 0.715) 5.111 3.813 ( -0.000 0.940 -0.338) 0.999 3.854 ( 0.000 -0.053 0.395) 0.398 4.017 ( -0.000 1.851 -0.439) 1.903 4.533 ( 0.000 -1.405 0.741) 1.589 4.931 ( 0.000 -5.501 -0.775) 5.556 5.444 ( -0.000 6.407 -0.943) 6.476 5.544 ( -0.000 3.734 0.895) 3.840 15.790 ( 0.000 -6.234 0.054) 6.234 19.197 ( 0.000 -7.330 0.218) 7.333 22.213 ( -0.000 5.414 0.314) 5.423 26.505 ( -0.000 3.163 0.878) 3.283 26.620 ( -0.000 9.270 0.043) 9.270 27.951 ( 0.000 -1.586 -0.416) 1.639 33.923 ( 0.000 -1.567 0.257) 1.588 34.849 ( 0.000 -3.718 -0.270) 3.728 37.350 ( 0.000 -0.767 -0.065) 0.770 37.812 ( 0.000 -0.083 0.018) 0.085 39.094 ( -0.000 1.869 0.487) 1.932 39.621 ( 0.000 -6.088 -0.561) 6.114 ======================= Grid point 952 (328/417) ======================= q-point: ( 0.69 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( -0.617 4.947 0.598) 5.021 2.793 ( 7.488 2.016 0.769) 7.793 2.891 ( 6.011 3.931 -0.812) 7.228 3.015 ( -0.403 -0.407 -0.552) 0.795 3.773 ( -3.108 1.089 0.967) 3.432 3.826 ( -0.304 1.633 -0.669) 1.791 3.970 ( 8.844 1.704 0.430) 9.017 4.058 ( 4.328 -0.357 -0.344) 4.357 4.521 ( -0.405 -0.850 0.564) 1.098 4.872 ( -1.972 -2.945 -0.902) 3.657 5.467 ( -2.837 3.438 -0.875) 4.543 5.550 ( -2.784 1.678 0.869) 3.365 15.693 ( -6.095 -2.893 0.363) 6.757 19.154 ( 1.342 -3.889 -0.079) 4.115 22.396 ( 16.697 2.793 0.342) 16.933 26.417 ( -17.797 7.628 0.619) 19.373 26.511 ( -13.242 -2.531 0.302) 13.485 28.098 ( 15.943 -0.255 -0.433) 15.951 33.921 ( 1.004 -0.606 0.271) 1.204 34.788 ( -3.825 -1.952 -0.226) 4.300 37.396 ( 5.992 -0.243 -0.061) 5.997 37.851 ( 4.532 0.060 -0.018) 4.532 39.078 ( -3.813 1.053 0.569) 3.996 39.532 ( -4.757 -3.428 -0.646) 5.899 ======================= Grid point 954 (329/417) ======================= q-point: (-0.25 -0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 0.653 -0.134 -0.179) 0.690 2.936 ( -4.173 1.138 -0.540) 4.359 2.971 ( 11.794 -0.106 0.589) 11.810 3.107 ( 12.674 -1.153 0.287) 12.730 3.741 ( -1.943 0.086 1.227) 2.299 3.827 ( -0.936 0.788 -0.693) 1.406 4.154 ( 8.763 -2.039 -0.433) 9.007 4.162 ( 11.099 1.623 0.105) 11.217 4.506 ( -0.510 -0.454 0.331) 0.759 4.807 ( -3.777 0.156 -0.764) 3.856 5.414 ( -5.445 0.625 -0.792) 5.537 5.487 ( -5.508 -0.580 0.810) 5.598 15.546 ( -9.588 0.580 0.566) 9.622 19.165 ( 2.386 -0.620 -0.297) 2.483 22.808 ( 29.693 0.078 0.279) 29.694 26.033 ( -28.339 -0.447 -0.120) 28.343 26.267 ( -15.747 0.492 0.940) 15.783 28.381 ( 16.279 -0.135 -0.395) 16.284 33.947 ( 2.355 -0.040 0.240) 2.368 34.688 ( -6.738 0.106 -0.146) 6.740 37.537 ( 10.494 0.055 -0.082) 10.494 37.958 ( 7.829 -0.087 -0.015) 7.830 38.993 ( -6.893 0.132 0.619) 6.922 39.398 ( -8.697 -0.127 -0.687) 8.725 ======================= Grid point 970 (330/417) ======================= q-point: (-0.31 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 0.000 -0.084 1.001) 1.004 2.737 ( 0.000 -0.174 0.762) 0.781 2.837 ( -0.000 0.171 -0.791) 0.810 3.033 ( -0.000 0.060 -1.038) 1.040 3.825 ( -0.000 0.518 -0.477) 0.704 3.851 ( 0.000 -0.523 0.533) 0.747 3.873 ( 0.000 1.203 1.139) 1.657 4.013 ( -0.000 -1.064 -0.537) 1.191 4.520 ( 0.000 -0.286 0.472) 0.552 4.873 ( -0.000 0.103 -1.022) 1.027 5.509 ( -0.000 0.602 -0.873) 1.061 5.582 ( 0.000 -0.578 0.885) 1.057 15.736 ( 0.000 0.651 0.600) 0.885 19.118 ( -0.000 -0.710 -0.300) 0.771 22.268 ( 0.000 0.051 0.432) 0.435 26.540 ( 0.000 0.037 1.095) 1.096 26.710 ( 0.000 -0.043 0.014) 0.045 27.931 ( -0.000 -0.102 -0.595) 0.604 33.910 ( 0.000 -0.023 0.297) 0.298 34.812 ( -0.000 0.092 -0.230) 0.248 37.342 ( -0.000 0.042 -0.035) 0.055 37.811 ( -0.000 -0.074 -0.062) 0.096 39.118 ( 0.000 0.108 0.679) 0.687 39.554 ( -0.000 -0.100 -0.767) 0.774 ======================= Grid point 971 (331/417) ======================= q-point: (-0.25 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( -0.818 -5.051 0.649) 5.158 2.793 ( 7.513 -2.289 0.765) 7.891 2.904 ( 8.241 -2.939 -0.344) 8.756 3.000 ( -2.576 -0.367 -1.056) 2.808 3.779 ( -2.944 -0.735 0.928) 3.173 3.840 ( -0.474 -0.346 -0.149) 0.606 3.974 ( 8.465 -1.980 0.661) 8.718 4.041 ( 4.851 -0.711 -0.973) 4.998 4.517 ( -0.499 0.488 0.505) 0.862 4.869 ( -1.920 3.016 -0.972) 3.705 5.475 ( -2.819 -2.173 -0.850) 3.659 5.542 ( -2.790 -2.877 0.867) 4.101 15.707 ( -6.141 4.154 0.752) 7.453 19.139 ( 1.394 2.500 -0.467) 2.900 22.399 ( 16.697 -2.685 0.414) 16.916 26.412 ( -18.558 -7.683 0.448) 20.091 26.520 ( -12.488 2.614 0.590) 12.772 28.094 ( 15.947 0.026 -0.552) 15.957 33.922 ( 0.987 0.570 0.289) 1.176 34.789 ( -3.807 2.114 -0.202) 4.359 37.396 ( 5.994 0.332 -0.044) 6.003 37.849 ( 4.531 -0.206 -0.061) 4.536 39.082 ( -3.808 -0.921 0.702) 3.981 39.527 ( -4.762 3.317 -0.784) 5.856 ======================= Grid point 988 (332/417) ======================= q-point: (-0.25 -0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( 0.000 -9.998 1.485) 10.107 2.695 ( 0.000 -4.505 0.753) 4.567 2.797 ( 0.000 -4.015 -0.791) 4.092 3.003 ( -0.000 -2.695 -1.473) 3.072 3.829 ( -0.000 0.053 -0.383) 0.387 3.838 ( 0.000 -0.946 0.451) 1.048 3.848 ( 0.000 -4.388 2.348) 4.977 3.980 ( -0.000 -2.732 -2.030) 3.404 4.533 ( 0.000 1.632 0.759) 1.800 4.924 ( -0.000 5.258 -0.995) 5.351 5.462 ( 0.000 -4.989 -0.878) 5.066 5.528 ( 0.000 -5.062 0.878) 5.137 15.820 ( -0.000 7.521 0.843) 7.568 19.167 ( -0.000 5.860 -0.580) 5.889 22.218 ( 0.000 -5.359 0.448) 5.377 26.515 ( 0.000 -3.114 1.150) 3.320 26.619 ( 0.000 -9.344 0.005) 9.344 27.943 ( -0.000 1.425 -0.646) 1.565 33.925 ( -0.000 1.582 0.308) 1.611 34.850 ( -0.000 3.798 -0.245) 3.806 37.351 ( -0.000 0.840 -0.033) 0.841 37.809 ( -0.000 -0.030 -0.063) 0.069 39.102 ( 0.000 -1.960 0.696) 2.080 39.613 ( -0.000 6.235 -0.773) 6.283 ======================= Grid point 1109 (333/417) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.225 ( 0.000 -0.000 7.532) 7.532 0.225 ( 0.000 -0.000 7.532) 7.532 0.484 ( 0.000 -0.000 17.697) 17.697 1.296 ( -0.000 0.000 -1.859) 1.859 1.296 ( -0.000 0.000 -1.859) 1.859 2.784 ( -0.000 0.000 -5.830) 5.830 3.680 ( 0.000 -0.000 0.906) 0.906 3.680 ( 0.000 -0.000 0.906) 0.906 3.803 ( -0.000 0.000 -0.763) 0.763 3.803 ( -0.000 0.000 -0.763) 0.763 5.786 ( 0.000 -0.000 0.497) 0.497 6.121 ( 0.000 -0.000 1.598) 1.598 17.705 ( -0.000 0.000 -5.875) 5.875 20.612 ( 0.000 -0.000 0.485) 0.485 20.612 ( 0.000 -0.000 0.485) 0.485 21.497 ( 0.000 -0.000 7.615) 7.615 24.113 ( 0.000 -0.000 0.006) 0.006 24.113 ( 0.000 -0.000 0.006) 0.006 35.571 ( 0.000 -0.000 1.410) 1.410 37.067 ( -0.000 0.000 -1.385) 1.385 37.616 ( -0.000 0.000 -0.137) 0.137 37.616 ( -0.000 0.000 -0.137) 0.137 37.968 ( -0.000 0.000 -0.043) 0.043 37.968 ( -0.000 0.000 -0.043) 0.043 ======================= Grid point 1110 (334/417) ======================= q-point: ( 0.31 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( 7.329 4.231 12.781) 15.329 0.638 ( 23.646 13.652 2.603) 27.428 0.906 ( 36.681 21.178 1.813) 42.394 1.386 ( 8.130 4.694 -1.661) 9.533 1.575 ( 21.518 12.424 -0.809) 24.860 2.759 ( -1.045 -0.603 -5.481) 5.612 3.694 ( 0.726 0.419 0.867) 1.206 3.798 ( -0.113 -0.065 -0.744) 0.756 3.841 ( 9.262 5.347 -4.195) 11.488 3.901 ( 7.425 4.287 0.236) 8.577 5.668 ( -5.745 -3.317 5.516) 8.628 6.050 ( -5.048 -2.915 -0.470) 5.848 17.515 ( -9.387 -5.419 -0.569) 10.854 20.687 ( 6.476 3.739 0.428) 7.491 21.039 ( -8.918 -5.149 -8.940) 13.637 24.088 ( 122.874 70.941 -57.006) 152.906 24.220 ( 9.335 5.390 0.017) 10.779 24.400 ( 42.796 24.708 -6.852) 49.889 35.549 ( -2.168 -1.251 1.409) 2.872 35.969 ( -46.205 -26.677 16.147) 55.743 37.603 ( -1.126 -0.650 -0.126) 1.307 37.958 ( -0.944 -0.545 -0.042) 1.091 37.964 ( 19.636 11.337 8.607) 24.253 39.040 ( 45.500 26.269 -41.320) 66.840 ======================= Grid point 1111 (335/417) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 13.888 8.018 6.610) 17.346 1.168 ( 22.781 13.153 1.210) 26.333 1.624 ( 12.665 7.312 -1.149) 14.669 1.716 ( 34.683 20.024 0.299) 40.049 2.130 ( 26.287 15.177 0.275) 30.355 2.728 ( -0.419 -0.242 -4.226) 4.254 3.715 ( 1.036 0.598 0.512) 1.302 3.796 ( 0.062 0.036 -0.444) 0.450 4.062 ( 11.125 6.423 -4.631) 13.655 4.096 ( 9.563 5.521 2.205) 11.260 5.569 ( -4.568 -2.637 4.813) 7.141 5.909 ( -7.114 -4.107 -1.555) 8.360 17.262 ( -12.995 -7.502 -2.156) 15.159 20.739 ( -15.173 -8.760 -0.963) 17.547 20.893 ( 11.541 6.663 0.277) 13.329 24.519 ( 16.994 9.812 0.042) 19.624 24.839 ( 25.564 14.760 -0.976) 29.535 26.357 ( 66.783 38.557 -22.183) 80.242 35.165 ( -29.002 -16.744 5.658) 33.963 35.486 ( -3.977 -2.296 0.965) 4.693 37.567 ( -1.989 -1.148 -0.099) 2.299 37.928 ( -1.609 -0.929 -0.034) 1.858 38.405 ( 16.181 9.342 8.846) 20.672 39.699 ( 22.569 13.030 -24.882) 36.031 ======================= Grid point 1112 (336/417) ======================= q-point: ( 0.44 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 16.037 9.259 2.721) 18.716 1.650 ( 19.822 11.444 0.526) 22.895 1.922 ( 13.579 7.840 -0.554) 15.690 2.438 ( 29.209 16.864 -1.068) 33.745 2.646 ( 11.628 6.713 -0.600) 13.440 2.791 ( 14.289 8.250 -0.419) 16.505 3.740 ( 1.097 0.634 -0.206) 1.284 3.800 ( 0.353 0.204 0.202) 0.455 4.285 ( 9.209 5.317 -1.978) 10.816 4.356 ( 13.187 7.614 0.005) 15.227 5.475 ( -4.608 -2.660 4.128) 6.735 5.731 ( -8.422 -4.862 -1.628) 9.860 16.938 ( -15.126 -8.733 -2.946) 17.713 20.384 ( -16.466 -9.506 2.366) 19.159 21.187 ( 14.295 8.253 0.078) 16.507 24.959 ( 21.691 12.524 0.065) 25.047 25.402 ( 23.927 13.814 -0.607) 27.635 27.372 ( 30.288 17.487 -4.885) 35.313 34.643 ( -18.816 -10.863 1.076) 21.753 35.380 ( -5.617 -3.243 0.769) 6.531 37.516 ( -2.449 -1.414 -0.066) 2.829 37.889 ( -1.743 -1.006 -0.017) 2.013 38.706 ( 9.825 5.672 4.563) 12.228 40.004 ( 8.260 4.769 -9.676) 13.586 ======================= Grid point 1113 (337/417) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 16.438 9.490 0.356) 18.984 2.053 ( 16.029 9.255 -0.014) 18.509 2.215 ( 12.363 7.138 0.031) 14.275 2.725 ( 3.072 1.774 -1.271) 3.768 3.028 ( 22.290 12.869 -1.344) 25.773 3.250 ( 19.837 11.453 2.152) 23.007 3.762 ( 0.917 0.530 -0.881) 1.378 3.813 ( 0.713 0.412 0.817) 1.160 4.467 ( 7.041 4.065 -1.264) 8.228 4.665 ( 14.145 8.167 -0.521) 16.341 5.390 ( -3.394 -1.959 3.680) 5.376 5.530 ( -9.006 -5.200 -1.721) 10.541 16.588 ( -15.310 -8.839 -2.773) 17.895 20.020 ( -16.241 -9.377 2.899) 18.976 21.515 ( 14.500 8.372 -0.119) 16.743 25.464 ( 22.803 13.165 0.069) 26.331 25.879 ( 18.377 10.610 -0.732) 21.232 27.816 ( 11.771 6.796 -0.533) 13.603 34.304 ( -11.907 -6.875 -0.086) 13.749 35.242 ( -6.737 -3.890 0.544) 7.798 37.461 ( -2.443 -1.410 -0.034) 2.821 37.854 ( -1.395 -0.805 0.007) 1.611 38.884 ( 5.892 3.402 1.471) 6.961 40.054 ( -1.950 -1.126 -2.804) 3.596 ======================= Grid point 1114 (338/417) ======================= q-point: ( 0.56 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 15.656 9.039 -1.019) 18.107 2.365 ( 11.874 6.855 -0.493) 13.720 2.467 ( 10.024 5.787 0.543) 11.587 2.805 ( 4.187 2.417 0.429) 4.854 3.440 ( 14.890 8.597 -2.338) 17.351 3.637 ( 14.051 8.112 2.730) 16.453 3.779 ( 0.795 0.459 -0.846) 1.248 3.833 ( 0.809 0.467 0.756) 1.202 4.576 ( 2.519 1.454 -1.034) 3.087 4.969 ( 12.417 7.169 -0.060) 14.338 5.298 ( -7.776 -4.489 1.175) 9.055 5.391 ( 0.112 0.065 -0.107) 0.168 16.254 ( -13.737 -7.931 -2.113) 16.002 19.678 ( -14.502 -8.373 2.218) 16.891 21.820 ( 12.522 7.229 -0.279) 14.462 25.955 ( 20.414 11.786 0.052) 23.572 26.216 ( 11.952 6.900 -0.896) 13.830 27.964 ( 2.609 1.506 0.421) 3.041 34.095 ( -6.974 -4.026 -0.278) 8.058 35.088 ( -6.830 -3.943 0.363) 7.895 37.410 ( -2.030 -1.172 -0.006) 2.344 37.829 ( -0.822 -0.475 0.032) 0.950 38.990 ( 3.668 2.118 0.032) 4.235 39.940 ( -7.142 -4.124 -0.313) 8.253 ======================= Grid point 1115 (339/417) ======================= q-point: ( 0.62 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 13.325 7.693 -1.581) 15.468 2.582 ( 7.663 4.424 -0.853) 8.889 2.661 ( 7.080 4.087 0.903) 8.225 2.907 ( 4.395 2.538 1.447) 5.278 3.693 ( 8.381 4.839 -2.626) 10.028 3.795 ( 0.760 0.439 -0.395) 0.962 3.850 ( 0.563 0.325 0.313) 0.722 3.889 ( 7.901 4.562 2.639) 9.497 4.580 ( -1.334 -0.770 -0.840) 1.755 5.063 ( -6.626 -3.826 0.776) 7.690 5.270 ( 8.283 4.782 -0.144) 9.566 5.457 ( 4.498 2.597 0.152) 5.196 15.977 ( -10.369 -5.986 -1.381) 12.052 19.391 ( -11.142 -6.433 1.284) 12.929 22.063 ( 9.039 5.219 -0.388) 10.445 26.358 ( 15.172 8.760 0.022) 17.519 26.419 ( 6.578 3.798 -1.044) 7.667 27.975 ( -1.059 -0.611 0.616) 1.369 33.980 ( -3.517 -2.031 -0.291) 4.072 34.947 ( -5.648 -3.261 0.267) 6.527 37.372 ( -1.374 -0.793 0.017) 1.587 37.816 ( -0.333 -0.192 0.051) 0.388 39.057 ( 2.482 1.433 -0.516) 2.912 39.765 ( -7.923 -4.574 0.512) 9.163 ======================= Grid point 1116 (340/417) ======================= q-point: ( 0.69 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 8.393 4.846 -1.442) 9.799 2.706 ( 3.618 2.089 -1.014) 4.299 2.785 ( 3.760 2.171 1.051) 4.467 2.993 ( 2.702 1.560 1.551) 3.484 3.810 ( 0.639 0.369 0.080) 0.742 3.823 ( 4.096 2.365 -2.064) 5.161 3.858 ( 0.121 0.070 -0.148) 0.203 4.004 ( 2.101 1.213 1.672) 2.946 4.543 ( -1.359 -0.785 -0.783) 1.753 4.920 ( -4.955 -2.861 0.976) 5.804 5.436 ( 5.452 3.148 0.459) 6.312 5.553 ( 3.381 1.952 -0.438) 3.929 15.796 ( -5.369 -3.100 -0.844) 6.257 19.195 ( -6.344 -3.663 0.581) 7.349 22.218 ( 4.720 2.725 -0.449) 5.468 26.518 ( 2.784 1.607 -1.151) 3.414 26.620 ( 8.024 4.633 -0.004) 9.266 27.944 ( -1.406 -0.812 0.648) 1.748 33.927 ( -1.346 -0.777 -0.309) 1.585 34.846 ( -3.198 -1.847 0.247) 3.701 37.349 ( -0.655 -0.378 0.033) 0.757 37.812 ( -0.100 -0.058 0.063) 0.132 39.102 ( 1.660 0.958 -0.696) 2.039 39.612 ( -5.327 -3.075 0.772) 6.199 ======================= Grid point 1117 (341/417) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( -0.069 -0.040 -1.154) 1.157 2.742 ( -0.184 -0.106 -0.956) 0.980 2.832 ( 0.181 0.105 0.989) 1.011 3.026 ( 0.071 0.041 1.204) 1.207 3.823 ( 0.399 0.230 0.431) 0.631 3.854 ( -0.404 -0.233 -0.493) 0.679 3.880 ( 1.178 0.680 -1.381) 1.938 4.009 ( -1.070 -0.618 0.761) 1.451 4.524 ( -0.270 -0.156 -0.585) 0.663 4.866 ( 0.098 0.056 1.133) 1.139 5.504 ( 0.489 0.282 0.809) 0.986 5.587 ( -0.463 -0.267 -0.817) 0.976 15.740 ( 0.610 0.352 -0.650) 0.959 19.117 ( -0.665 -0.384 0.325) 0.834 22.270 ( 0.048 0.028 -0.468) 0.471 26.547 ( 0.035 0.020 -1.190) 1.191 26.711 ( -0.040 -0.023 -0.015) 0.049 27.927 ( -0.096 -0.055 0.650) 0.659 33.912 ( -0.021 -0.012 -0.322) 0.323 34.811 ( 0.086 0.050 0.250) 0.269 37.342 ( 0.040 0.023 0.038) 0.059 37.810 ( -0.069 -0.040 0.067) 0.104 39.122 ( 0.103 0.060 -0.749) 0.758 39.549 ( -0.096 -0.056 0.844) 0.851 ======================= Grid point 1126 (342/417) ======================= q-point: ( 0.31 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 0.000 6.976 12.580) 14.385 0.628 ( -0.000 26.879 2.707) 27.015 0.917 ( -0.000 42.172 1.499) 42.199 1.393 ( -0.000 9.891 -1.714) 10.039 1.565 ( -0.000 24.888 -0.576) 24.895 2.748 ( -0.000 -1.025 -5.552) 5.646 3.683 ( 0.000 0.226 0.873) 0.902 3.806 ( -0.000 0.383 -0.728) 0.823 3.808 ( -0.000 7.522 -1.940) 7.768 3.937 ( -0.000 12.544 -1.987) 12.700 5.681 ( 0.000 -6.530 5.708) 8.673 6.048 ( 0.000 -6.107 -0.879) 6.169 17.506 ( 0.000 -11.423 -0.470) 11.433 20.687 ( -0.000 7.419 0.429) 7.431 21.015 ( -0.000 -9.124 -9.088) 12.878 23.816 ( -0.000 119.932 -37.638) 125.699 24.220 ( -0.000 10.781 0.015) 10.781 24.540 ( -0.000 71.035 -17.686) 73.204 35.551 ( 0.000 -2.773 1.433) 3.121 36.003 ( 0.000 -53.380 14.342) 55.274 37.604 ( 0.000 -1.240 -0.139) 1.248 37.955 ( 0.000 -1.204 -0.009) 1.204 37.997 ( -0.000 23.127 9.259) 24.911 38.954 ( -0.000 52.886 -38.818) 65.602 ======================= Grid point 1127 (343/417) ======================= q-point: ( 0.38 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 7.310 11.360 7.914) 15.656 1.036 ( 14.479 23.565 1.541) 27.700 1.487 ( 17.379 30.799 -0.063) 35.364 1.580 ( 9.341 17.353 -0.871) 19.726 1.964 ( 15.170 25.881 0.203) 30.000 2.723 ( -0.444 -0.605 -4.645) 4.705 3.706 ( 1.461 0.605 0.843) 1.792 3.794 ( -0.420 0.838 -0.867) 1.277 3.970 ( 8.178 8.103 -1.429) 11.601 4.072 ( 2.379 11.685 -1.183) 11.983 5.608 ( -2.812 -4.771 5.600) 7.876 5.946 ( -3.797 -6.744 -2.060) 8.009 17.326 ( -6.792 -12.766 -1.528) 14.541 20.818 ( -7.301 -12.912 -2.457) 15.035 20.847 ( 6.694 11.213 0.200) 13.061 24.267 ( 7.986 11.656 -1.705) 14.232 24.771 ( 19.026 26.277 0.876) 32.454 25.888 ( 45.810 86.219 -28.568) 101.727 35.364 ( -18.535 -32.680 7.286) 38.270 35.516 ( -3.188 -4.248 0.897) 5.387 37.584 ( -0.867 -1.331 -0.135) 1.594 37.933 ( -0.684 -1.518 0.083) 1.667 38.325 ( 9.591 17.212 9.858) 22.032 39.490 ( 16.827 29.711 -28.935) 44.756 ======================= Grid point 1128 (344/417) ======================= q-point: ( 0.44 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 11.859 12.418 3.806) 17.588 1.510 ( 15.563 20.219 0.771) 25.527 1.834 ( 9.875 14.061 -0.870) 17.204 2.185 ( 23.682 26.062 -0.570) 35.219 2.497 ( 18.518 21.219 0.969) 28.180 2.719 ( 1.833 1.306 -2.956) 3.715 3.739 ( 0.945 1.620 0.363) 1.910 3.801 ( 0.253 0.908 -0.408) 1.028 4.216 ( 10.486 9.878 -2.602) 14.639 4.237 ( 5.855 8.367 0.729) 10.239 5.520 ( -3.634 -4.349 4.812) 7.435 5.792 ( -5.969 -6.947 -2.230) 9.427 17.040 ( -10.836 -13.861 -2.518) 17.773 20.515 ( -11.838 -13.795 1.430) 18.234 21.131 ( 9.315 17.091 0.135) 19.465 24.590 ( 20.782 4.494 -0.385) 21.266 25.324 ( 15.666 27.511 -0.059) 31.659 27.105 ( 30.963 39.369 -7.933) 50.711 34.810 ( -16.984 -19.479 1.925) 25.915 35.423 ( -3.930 -4.633 0.747) 6.121 37.549 ( -2.020 -0.679 -0.097) 2.133 37.905 ( -1.114 -1.208 0.036) 1.643 38.624 ( 8.594 8.791 5.855) 13.617 39.891 ( 10.752 12.555 -13.096) 21.089 ======================= Grid point 1129 (345/417) ======================= q-point: ( 0.50 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 13.892 12.039 1.104) 18.416 1.938 ( 13.321 17.382 0.200) 21.900 2.132 ( 9.583 13.214 -0.335) 16.326 2.699 ( 4.541 5.369 -2.241) 7.380 2.806 ( 18.782 16.403 -0.160) 24.937 3.048 ( 19.282 15.283 1.512) 24.651 3.769 ( 0.243 2.546 -0.502) 2.607 3.819 ( 0.427 1.768 0.423) 1.867 4.406 ( 5.704 7.198 -1.341) 9.282 4.511 ( 13.315 8.542 -0.328) 15.823 5.427 ( -3.431 -3.861 4.035) 6.555 5.606 ( -7.414 -7.104 -2.053) 10.471 16.701 ( -12.263 -14.145 -2.587) 18.898 20.174 ( -13.656 -12.741 2.572) 18.852 21.470 ( 8.894 20.208 -0.058) 22.079 25.025 ( 27.887 -0.516 -0.109) 27.892 25.812 ( 13.042 22.282 -0.475) 25.822 27.734 ( 13.495 19.512 -1.347) 23.762 34.421 ( -12.048 -11.542 0.160) 16.686 35.296 ( -5.244 -5.741 0.567) 7.796 37.506 ( -2.880 0.402 -0.048) 2.909 37.876 ( -1.425 -0.171 0.013) 1.435 38.815 ( 6.285 3.807 2.194) 7.669 40.040 ( 1.873 0.937 -4.252) 4.740 ======================= Grid point 1130 (346/417) ======================= q-point: ( 0.56 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 14.446 11.043 -0.531) 18.191 2.289 ( 9.812 14.731 -0.298) 17.702 2.399 ( 8.114 10.984 0.133) 13.657 2.783 ( 2.702 4.838 0.113) 5.543 3.259 ( 16.635 11.039 -1.732) 20.039 3.472 ( 15.535 9.683 2.123) 18.429 3.798 ( -0.077 3.921 -0.724) 3.988 3.850 ( 0.171 3.326 0.686) 3.400 4.543 ( 3.780 3.882 -1.076) 5.524 4.818 ( 13.531 7.618 -0.162) 15.529 5.356 ( -2.905 -3.694 3.753) 6.014 5.410 ( -5.956 -5.482 -2.489) 8.469 16.357 ( -11.674 -13.641 -2.057) 18.072 19.831 ( -13.740 -10.773 2.181) 17.595 21.805 ( 6.664 21.070 -0.212) 22.099 25.488 ( 30.107 -5.752 -0.084) 30.651 26.180 ( 9.315 14.843 -0.650) 17.536 28.003 ( 2.198 12.052 0.187) 12.252 34.169 ( -7.730 -6.544 -0.218) 10.131 35.143 ( -5.751 -6.403 0.396) 8.615 37.463 ( -3.376 1.749 -0.002) 3.802 37.856 ( -1.536 1.196 0.009) 1.947 38.930 ( 4.743 0.912 0.350) 4.842 39.984 ( -4.195 -5.586 -0.830) 7.035 ======================= Grid point 1131 (347/417) ======================= q-point: ( 0.62 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 13.589 9.321 -1.295) 16.530 2.550 ( 5.818 12.152 -0.688) 13.490 2.615 ( 6.343 8.184 0.551) 10.369 2.886 ( 2.780 5.954 1.247) 6.688 3.562 ( 10.958 4.640 -1.998) 12.067 3.732 ( 7.366 1.097 0.978) 7.512 3.863 ( 1.838 7.606 0.431) 7.836 3.896 ( 0.293 6.303 0.625) 6.341 4.589 ( -0.308 0.304 -0.809) 0.918 5.076 ( 6.349 2.365 0.550) 6.798 5.206 ( -2.327 -3.723 -0.126) 4.393 5.400 ( 3.787 0.344 0.296) 3.814 16.049 ( -9.233 -12.238 -1.371) 15.391 19.524 ( -12.117 -7.929 1.333) 14.542 22.089 ( 3.132 20.219 -0.316) 20.463 25.902 ( 28.249 -10.735 -0.170) 30.220 26.411 ( 6.010 6.762 -0.718) 9.075 28.089 ( -4.148 10.659 0.495) 11.448 34.023 ( -4.422 -3.094 -0.267) 5.404 34.989 ( -5.049 -6.444 0.287) 8.191 37.428 ( -3.541 3.133 0.032) 4.728 37.848 ( -1.628 2.529 0.015) 3.008 39.002 ( 3.940 -0.844 -0.376) 4.047 39.821 ( -6.262 -8.166 0.314) 10.295 ======================= Grid point 1132 (348/417) ======================= q-point: ( 0.69 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 10.678 6.353 -1.253) 12.488 2.718 ( 1.812 9.687 -0.875) 9.894 2.776 ( 4.269 6.529 0.782) 7.840 2.979 ( 1.319 4.493 1.417) 4.892 3.722 ( 6.260 0.156 -1.534) 6.447 3.794 ( 1.743 -0.198 0.124) 1.759 3.932 ( -1.437 7.677 -0.472) 7.824 4.009 ( 2.061 6.325 1.693) 6.865 4.558 ( -1.845 -1.133 -0.817) 2.314 4.973 ( -5.879 -5.377 0.747) 8.002 5.342 ( 8.605 2.247 0.365) 8.901 5.488 ( 5.273 0.404 -0.301) 5.297 15.817 ( -5.005 -9.861 -0.831) 11.089 19.287 ( -8.810 -4.458 0.615) 9.893 22.293 ( -1.199 18.307 -0.378) 18.351 26.217 ( 23.231 -13.501 -0.329) 26.871 26.516 ( 4.255 -2.178 -0.679) 4.828 28.100 ( -7.193 12.085 0.536) 14.074 33.950 ( -2.237 -0.760 -0.287) 2.379 34.860 ( -2.981 -5.749 0.247) 6.481 37.406 ( -3.463 4.299 0.053) 5.521 37.848 ( -1.871 3.517 0.027) 3.983 39.050 ( 3.580 -1.901 -0.611) 4.099 39.644 ( -4.849 -8.001 0.663) 9.379 ======================= Grid point 1133 (349/417) ======================= q-point: ( 0.75 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 4.584 1.632 -0.684) 4.914 2.798 ( -1.985 7.445 -0.893) 7.757 2.886 ( 0.499 7.165 0.724) 7.219 3.011 ( -0.264 -0.125 0.888) 0.934 3.780 ( 2.375 -2.080 -1.291) 3.411 3.822 ( 1.643 0.465 0.675) 1.837 3.973 ( -2.940 8.383 -0.587) 8.903 4.055 ( -2.300 3.674 0.725) 4.394 4.524 ( -0.629 -0.859 -0.617) 1.230 4.866 ( -1.612 -3.158 1.025) 3.691 5.462 ( 4.360 -0.743 0.734) 4.484 5.555 ( 2.894 -1.558 -0.732) 3.367 15.696 ( 0.595 -6.697 -0.604) 6.751 19.153 ( -4.084 -0.812 0.296) 4.174 22.399 ( -5.903 15.837 -0.409) 16.907 26.420 ( 15.867 -12.023 -0.559) 19.916 26.514 ( 4.109 -12.360 -0.502) 13.035 28.095 ( -8.230 13.711 0.535) 16.001 33.923 ( -1.021 0.559 -0.304) 1.203 34.787 ( 0.226 -4.267 0.233) 4.279 37.395 ( -3.197 5.062 0.057) 5.987 37.850 ( -2.230 3.956 0.043) 4.541 39.082 ( 2.850 -2.773 -0.691) 4.036 39.528 ( -0.626 -5.835 0.777) 5.920 ======================= Grid point 1143 (350/417) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 0.000 14.366 6.711) 15.856 1.157 ( -0.000 26.018 1.464) 26.059 1.636 ( -0.000 15.021 -1.408) 15.087 1.720 ( -0.000 39.468 0.034) 39.468 2.132 ( -0.000 31.450 0.516) 31.454 2.713 ( -0.000 -0.184 -4.199) 4.203 3.696 ( 0.000 0.694 0.821) 1.075 3.812 ( -0.000 0.503 -0.672) 0.839 3.983 ( -0.000 10.873 -0.399) 10.880 4.180 ( -0.000 13.057 -2.227) 13.246 5.591 ( 0.000 -5.693 5.619) 7.998 5.899 ( 0.000 -8.174 -2.494) 8.546 17.244 ( 0.000 -15.157 -1.615) 15.242 20.730 ( 0.000 -16.332 -0.905) 16.357 20.892 ( -0.000 13.247 0.295) 13.251 24.519 ( -0.000 19.616 0.040) 19.616 24.761 ( -0.000 33.245 0.487) 33.248 26.324 ( -0.000 78.903 -19.652) 81.313 35.186 ( 0.000 -34.351 4.801) 34.685 35.499 ( 0.000 -4.979 0.675) 5.025 37.569 ( 0.000 -2.250 -0.145) 2.254 37.924 ( 0.000 -1.925 0.076) 1.926 38.443 ( 0.000 16.885 8.862) 19.069 39.612 ( -0.000 30.612 -23.083) 38.339 ======================= Grid point 1144 (351/417) ======================= q-point: ( 0.44 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 5.763 15.493 4.152) 17.044 1.502 ( 10.506 23.178 1.070) 25.470 1.842 ( 6.395 16.046 -1.197) 17.314 2.182 ( 10.723 33.105 -0.544) 34.803 2.511 ( 8.779 28.711 0.807) 30.034 2.710 ( 0.172 1.262 -2.940) 3.204 3.725 ( 2.005 0.999 0.785) 2.374 3.813 ( -0.259 1.249 -0.755) 1.482 4.151 ( 6.621 10.518 0.457) 12.437 4.304 ( 0.449 12.822 -2.442) 13.060 5.529 ( -1.934 -5.671 5.037) 7.828 5.786 ( -2.940 -8.500 -2.538) 9.346 17.031 ( -6.229 -16.370 -2.140) 17.645 20.516 ( -5.744 -16.944 1.373) 17.944 21.130 ( 10.233 16.545 0.170) 19.455 24.584 ( -6.164 20.318 -0.141) 21.233 25.308 ( 17.884 27.386 0.621) 32.714 27.101 ( 17.749 47.284 -7.624) 51.078 34.815 ( -8.564 -24.723 1.705) 26.220 35.428 ( -2.403 -5.623 0.521) 6.137 37.550 ( 0.316 -2.024 -0.147) 2.054 37.902 ( -0.285 -1.665 0.137) 1.695 38.631 ( 3.436 10.970 5.659) 12.813 39.874 ( 5.190 17.225 -12.454) 21.880 ======================= Grid point 1145 (352/417) ======================= q-point: ( 0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 9.363 14.978 1.848) 17.760 1.915 ( 12.292 20.431 0.651) 23.852 2.124 ( 8.319 15.352 -0.933) 17.485 2.656 ( 10.809 18.728 -2.212) 21.737 2.759 ( 4.618 9.054 -0.248) 10.167 2.948 ( 12.786 21.908 1.215) 25.395 3.777 ( 2.107 2.147 0.483) 3.047 3.830 ( 0.496 2.274 -0.561) 2.394 4.380 ( 8.236 7.480 1.687) 11.253 4.446 ( 3.456 13.074 -3.278) 13.915 5.444 ( -2.743 -5.264 4.235) 7.291 5.630 ( -5.071 -8.551 -2.281) 10.200 16.727 ( -9.668 -16.861 -2.237) 19.564 20.232 ( -9.089 -15.908 2.281) 18.463 21.515 ( 12.400 21.382 -0.002) 24.718 24.749 ( 6.934 11.688 -0.052) 13.590 25.809 ( 12.974 21.863 -0.091) 25.423 27.717 ( 14.310 25.105 -1.717) 28.948 34.469 ( -8.991 -15.559 0.254) 17.972 35.313 ( -4.090 -6.795 0.401) 7.942 37.538 ( -0.343 -0.456 -0.120) 0.583 37.887 ( -0.186 -0.529 0.126) 0.575 38.778 ( 3.508 5.513 2.520) 7.004 40.019 ( 1.641 3.580 -4.798) 6.207 ======================= Grid point 1146 (353/417) ======================= q-point: ( 0.56 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 11.282 13.677 0.232) 17.731 2.294 ( 9.917 18.471 0.223) 20.966 2.391 ( 6.983 12.588 -0.672) 14.411 2.801 ( 2.696 7.057 -0.277) 7.560 3.121 ( 13.499 14.938 -1.081) 20.163 3.342 ( 12.618 13.586 1.532) 18.605 3.836 ( 1.090 4.588 -0.236) 4.722 3.876 ( 1.403 4.012 0.166) 4.254 4.531 ( 3.181 5.599 -0.358) 6.449 4.688 ( 10.573 9.985 -0.879) 14.569 5.362 ( -2.080 -4.380 3.738) 6.122 5.446 ( -6.277 -8.055 -2.390) 10.488 16.387 ( -10.424 -16.753 -1.826) 19.815 19.925 ( -10.596 -13.506 2.002) 17.283 21.930 ( 8.847 26.037 -0.136) 27.500 25.021 ( 17.605 0.634 -0.024) 17.616 26.163 ( 8.632 13.567 -0.400) 16.085 28.076 ( 6.141 15.439 -0.037) 16.616 34.217 ( -6.794 -9.077 -0.130) 11.339 35.165 ( -5.081 -7.810 0.287) 9.322 37.530 ( -1.491 1.994 -0.055) 2.491 37.887 ( -0.327 1.353 0.072) 1.394 38.870 ( 3.209 1.417 0.677) 3.573 39.986 ( -3.108 -5.485 -1.273) 6.431 ======================= Grid point 1147 (354/417) ======================= q-point: ( 0.62 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 11.755 11.765 -0.654) 16.644 2.594 ( 5.522 8.289 -0.331) 9.966 2.599 ( 5.984 16.431 0.017) 17.487 2.933 ( 2.256 10.576 0.798) 10.843 3.428 ( 10.623 7.003 -1.383) 12.799 3.618 ( 8.851 4.659 1.153) 10.069 3.917 ( 1.581 8.238 -0.067) 8.389 3.953 ( 1.312 6.989 0.353) 7.120 4.599 ( 0.285 2.152 -0.605) 2.254 4.954 ( 10.942 6.185 0.010) 12.569 5.234 ( -6.457 -8.236 0.372) 10.472 5.348 ( 1.356 -1.576 0.185) 2.087 16.059 ( -9.033 -15.901 -1.221) 18.328 19.634 ( -10.548 -9.986 1.258) 14.580 22.298 ( 2.902 28.940 -0.208) 29.086 25.332 ( 24.005 -9.392 -0.084) 25.778 26.361 ( 5.086 3.878 -0.507) 6.416 28.254 ( -0.442 12.859 0.319) 12.870 34.060 ( -4.258 -4.409 -0.191) 6.133 35.000 ( -5.009 -8.402 0.210) 9.784 37.527 ( -2.718 4.693 0.019) 5.424 37.902 ( -0.793 3.542 0.023) 3.629 38.923 ( 3.309 -1.613 -0.150) 3.684 39.829 ( -5.560 -10.089 0.034) 11.520 ======================= Grid point 1148 (355/417) ======================= q-point: ( 0.69 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 10.459 9.032 -0.803) 13.842 2.745 ( 5.329 4.524 0.487) 7.007 2.813 ( 1.587 14.530 -0.417) 14.622 3.060 ( -0.608 11.222 0.692) 11.260 3.615 ( 7.185 1.993 -1.173) 7.548 3.744 ( 4.132 0.158 0.501) 4.165 4.030 ( 0.348 9.705 -0.479) 9.723 4.058 ( 1.610 8.986 1.172) 9.204 4.584 ( -2.379 -0.388 -0.603) 2.485 5.014 ( -5.751 -6.758 0.444) 8.884 5.205 ( 9.330 1.512 0.190) 9.454 5.396 ( 4.865 -1.006 -0.103) 4.969 15.784 ( -5.693 -14.101 -0.711) 15.223 19.392 ( -9.002 -5.816 0.573) 10.733 22.578 ( -3.481 29.552 -0.239) 29.757 25.632 ( 26.144 -15.956 -0.171) 30.629 26.413 ( 2.656 -5.856 -0.553) 6.453 28.335 ( -4.542 13.278 0.365) 14.038 33.981 ( -2.318 -0.985 -0.216) 2.528 34.844 ( -3.536 -8.423 0.187) 9.137 37.529 ( -3.845 7.063 0.074) 8.042 37.927 ( -1.638 5.499 -0.007) 5.738 38.955 ( 3.804 -3.711 -0.451) 5.333 39.630 ( -4.942 -11.455 0.465) 12.484 ======================= Grid point 1149 (356/417) ======================= q-point: ( 0.75 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( 6.475 5.126 -0.288) 8.264 2.865 ( 5.207 1.489 0.732) 5.465 2.934 ( -2.418 12.302 -0.542) 12.549 3.119 ( -4.675 9.800 -0.039) 10.858 3.714 ( 3.897 -0.262 -1.214) 4.090 3.794 ( 2.329 -0.031 0.770) 2.453 4.111 ( -2.103 10.571 -0.687) 10.800 4.150 ( -1.563 7.886 1.184) 8.126 4.534 ( -2.033 -0.925 -0.671) 2.333 4.865 ( -3.480 -5.996 0.730) 6.971 5.353 ( 7.209 -1.469 0.635) 7.385 5.464 ( 4.875 -2.787 -0.606) 5.648 15.603 ( -0.684 -11.358 -0.469) 11.388 19.229 ( -5.992 -1.666 0.217) 6.223 22.750 ( -9.418 28.246 -0.257) 29.776 25.892 ( 24.401 -18.816 -0.173) 30.813 26.349 ( 1.942 -13.889 -0.633) 14.039 28.371 ( -6.880 14.087 0.366) 15.681 33.952 ( -1.421 1.221 -0.247) 1.889 34.730 ( -0.530 -7.634 0.184) 7.655 37.534 ( -4.734 8.629 0.096) 9.843 37.949 ( -2.826 6.696 -0.012) 7.268 38.980 ( 4.232 -5.011 -0.553) 6.582 39.465 ( -1.504 -10.496 0.611) 10.621 ======================= Grid point 1160 (357/417) ======================= q-point: ( 0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -0.000 17.187 3.446) 17.529 1.636 ( -0.000 22.645 1.037) 22.668 1.937 ( -0.000 15.977 -1.134) 16.017 2.426 ( -0.000 32.646 -0.779) 32.656 2.687 ( -0.000 11.143 -2.440) 11.407 2.766 ( -0.000 20.939 0.798) 20.954 3.716 ( 0.000 1.041 0.723) 1.268 3.820 ( -0.000 0.602 -0.576) 0.833 4.211 ( -0.000 12.037 0.827) 12.065 4.427 ( -0.000 13.672 -2.780) 13.951 5.497 ( 0.000 -6.173 4.760) 7.795 5.719 ( 0.000 -9.219 -2.531) 9.560 16.917 ( 0.000 -17.333 -2.039) 17.453 20.393 ( 0.000 -18.502 1.928) 18.603 21.186 ( -0.000 16.407 0.158) 16.408 24.959 ( -0.000 25.032 0.066) 25.032 25.369 ( -0.000 28.666 0.774) 28.676 27.359 ( -0.000 36.443 -4.220) 36.687 34.650 ( 0.000 -22.419 0.759) 22.432 35.391 ( 0.000 -6.535 0.297) 6.542 37.518 ( 0.000 -2.801 -0.151) 2.805 37.885 ( 0.000 -2.022 0.167) 2.029 38.721 ( 0.000 9.805 4.108) 10.631 39.967 ( -0.000 12.544 -8.252) 15.015 ======================= Grid point 1161 (358/417) ======================= q-point: ( 0.50 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 4.183 17.244 2.199) 17.880 1.927 ( 8.805 19.969 0.868) 21.841 2.144 ( 6.133 15.170 -1.057) 16.397 2.703 ( 2.354 9.664 -2.704) 10.307 2.805 ( 4.316 21.044 0.070) 21.482 3.055 ( 3.710 25.464 1.023) 25.753 3.751 ( 2.516 1.433 0.626) 2.962 3.835 ( 0.996 1.302 -0.574) 1.736 4.361 ( 4.002 10.045 1.192) 10.878 4.555 ( -0.099 14.353 -2.801) 14.625 5.434 ( -1.461 -5.817 4.237) 7.343 5.602 ( -2.485 -9.352 -2.382) 9.965 16.690 ( -6.023 -17.570 -1.897) 18.670 20.180 ( -4.089 -18.170 2.129) 18.746 21.468 ( 13.119 17.727 0.064) 22.053 25.021 ( -14.396 23.928 0.143) 27.925 25.800 ( 13.417 22.532 0.263) 26.226 27.734 ( 10.015 21.854 -1.327) 24.076 34.421 ( -4.027 -16.429 0.125) 16.916 35.302 ( -2.540 -7.391 0.154) 7.816 37.507 ( 1.737 -2.260 -0.154) 2.854 37.873 ( 0.673 -1.341 0.194) 1.513 38.814 ( 0.373 6.723 2.240) 7.096 40.036 ( -0.353 3.107 -3.966) 5.051 ======================= Grid point 1162 (359/417) ======================= q-point: ( 0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 6.961 16.141 0.982) 17.606 2.288 ( 11.527 17.480 0.699) 20.951 2.396 ( 6.849 12.726 -1.134) 14.496 2.807 ( 4.131 6.309 -0.931) 7.598 3.114 ( 6.549 18.806 -0.405) 19.918 3.348 ( 5.181 17.964 0.915) 18.718 3.829 ( 3.976 3.191 0.392) 5.113 3.882 ( 2.260 3.330 -0.457) 4.050 4.517 ( 4.445 5.769 0.832) 7.330 4.702 ( 1.997 14.076 -2.042) 14.363 5.359 ( -2.019 -5.118 3.918) 6.754 5.450 ( -4.340 -8.559 -2.536) 9.926 16.384 ( -9.277 -17.357 -1.502) 19.738 19.928 ( -6.300 -16.015 1.754) 17.299 21.929 ( 18.190 20.634 -0.047) 27.507 25.019 ( -8.101 15.494 0.139) 17.485 26.159 ( 7.680 14.164 -0.104) 16.113 28.077 ( 10.206 13.147 -0.140) 16.644 34.217 ( -4.437 -10.485 -0.061) 11.385 35.167 ( -4.392 -8.244 0.077) 9.341 37.531 ( 2.394 -0.247 -0.134) 2.411 37.886 ( 1.444 0.351 0.168) 1.495 38.868 ( -0.080 3.247 0.883) 3.366 39.987 ( -3.511 -5.124 -1.409) 6.370 ======================= Grid point 1163 (360/417) ======================= q-point: ( 0.62 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 8.518 14.224 0.105) 16.579 2.586 ( 4.541 8.054 -0.358) 9.252 2.637 ( 9.331 16.118 -0.045) 18.624 2.977 ( 5.859 10.510 0.200) 12.034 3.363 ( 6.223 10.425 -0.672) 12.159 3.562 ( 4.679 8.341 0.685) 9.588 3.948 ( 4.141 6.859 0.179) 8.014 3.978 ( 3.487 6.454 -0.142) 7.337 4.610 ( 1.642 2.379 0.012) 2.891 4.883 ( 5.428 10.040 -0.704) 11.435 5.247 ( -4.910 -9.263 1.238) 10.557 5.331 ( -1.471 -2.045 -0.483) 2.565 16.053 ( -9.634 -16.676 -0.968) 19.284 19.678 ( -7.081 -12.356 1.089) 14.283 22.439 ( 14.794 25.578 -0.107) 29.549 25.055 ( 1.828 3.033 0.071) 3.542 26.333 ( 2.534 4.245 -0.233) 4.949 28.324 ( 5.863 10.232 0.149) 11.793 34.075 ( -3.148 -5.519 -0.077) 6.354 35.001 ( -5.236 -8.956 0.049) 10.374 37.579 ( 1.653 2.942 -0.066) 3.375 37.928 ( 1.607 2.709 0.097) 3.151 38.882 ( 0.028 -0.181 0.146) 0.234 39.825 ( -6.060 -10.256 -0.266) 11.916 ======================= Grid point 1164 (361/417) ======================= q-point: ( 0.69 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 8.685 11.601 -0.280) 14.494 2.709 ( 3.655 4.233 0.085) 5.593 2.912 ( 4.911 15.133 -0.050) 15.909 3.171 ( 2.767 12.529 0.203) 12.832 3.530 ( 5.655 4.288 -0.618) 7.124 3.679 ( 3.824 1.735 0.394) 4.218 4.091 ( 3.275 9.004 0.089) 9.581 4.114 ( 3.201 9.171 0.154) 9.715 4.622 ( -1.552 0.561 -0.228) 1.666 5.027 ( -0.948 -2.973 0.245) 3.130 5.096 ( 2.090 -1.688 -0.116) 2.689 5.324 ( 1.840 -1.199 0.093) 2.198 15.748 ( -7.563 -15.244 -0.502) 17.025 19.463 ( -6.776 -7.787 0.470) 10.333 22.890 ( 5.363 31.251 -0.106) 31.708 25.147 ( 12.810 -9.032 -0.049) 15.674 26.334 ( -0.903 -6.151 -0.275) 6.223 28.481 ( 1.268 10.103 0.185) 10.184 34.002 ( -1.559 -1.457 -0.094) 2.135 34.826 ( -4.764 -9.401 0.067) 10.539 37.638 ( -0.187 6.563 0.026) 6.566 37.989 ( 0.911 5.219 0.016) 5.298 38.873 ( 1.085 -3.299 -0.189) 3.478 39.605 ( -6.297 -12.642 0.175) 14.124 ======================= Grid point 1165 (362/417) ======================= q-point: ( 0.75 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 6.811 8.261 -0.095) 10.707 2.798 ( 3.779 0.986 0.383) 3.924 3.090 ( -0.280 13.585 -0.114) 13.588 3.293 ( -2.418 11.851 -0.503) 12.106 3.643 ( 4.621 1.424 -0.621) 4.876 3.744 ( 3.420 -0.392 0.635) 3.501 4.220 ( 1.307 9.253 -0.168) 9.346 4.249 ( 1.004 10.732 0.533) 10.792 4.581 ( -3.607 0.648 -0.424) 3.690 4.871 ( -5.020 -7.858 0.330) 9.330 5.212 ( 7.193 -1.169 0.428) 7.300 5.353 ( 3.876 -3.329 -0.368) 5.122 15.515 ( -3.452 -12.883 -0.257) 13.340 19.307 ( -5.489 -3.182 0.112) 6.345 23.206 ( -6.011 34.587 -0.082) 35.105 25.315 ( 21.452 -15.896 -0.151) 26.700 26.196 ( -2.059 -15.903 -0.323) 16.039 28.572 ( -2.244 10.492 0.189) 10.730 33.986 ( -0.740 1.709 -0.145) 1.868 34.670 ( -2.552 -9.415 0.107) 9.755 37.694 ( -2.714 9.642 0.103) 10.018 38.053 ( -0.742 7.194 -0.046) 7.232 38.861 ( 2.857 -5.600 -0.330) 6.295 39.391 ( -3.701 -13.032 0.351) 13.551 ======================= Grid point 1178 (363/417) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -0.000 18.109 2.048) 18.225 2.038 ( -0.000 18.319 0.855) 18.339 2.231 ( -0.000 14.473 -0.951) 14.504 2.739 ( -0.000 4.602 -2.352) 5.168 3.009 ( -0.000 24.630 0.098) 24.630 3.273 ( -0.000 23.857 0.587) 23.864 3.741 ( 0.000 1.238 0.557) 1.358 3.831 ( -0.000 0.650 -0.422) 0.775 4.430 ( -0.000 9.456 0.921) 9.501 4.696 ( -0.000 15.143 -2.399) 15.332 5.399 ( 0.000 -5.456 4.193) 6.881 5.526 ( 0.000 -9.261 -2.544) 9.604 16.569 ( 0.000 -17.456 -1.565) 17.526 20.036 ( 0.000 -18.816 1.890) 18.911 21.511 ( -0.000 16.636 0.098) 16.636 25.464 ( -0.000 26.315 0.080) 26.316 25.860 ( -0.000 21.365 0.487) 21.371 27.818 ( -0.000 14.125 -0.642) 14.140 34.303 ( 0.000 -14.007 0.003) 14.007 35.251 ( 0.000 -7.837 -0.040) 7.837 37.462 ( 0.000 -2.813 -0.148) 2.817 37.850 ( 0.000 -1.574 0.210) 1.588 38.883 ( -0.000 6.101 1.558) 6.297 40.048 ( -0.000 -1.036 -2.456) 2.666 ======================= Grid point 1179 (364/417) ======================= q-point: ( 0.56 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 2.849 17.594 1.517) 17.887 2.278 ( 8.042 15.712 0.790) 17.668 2.412 ( 5.158 12.681 -0.985) 13.725 2.800 ( 2.520 5.301 -1.537) 6.067 3.241 ( 1.444 19.494 0.126) 19.547 3.490 ( 0.323 18.529 0.278) 18.534 3.787 ( 3.693 2.303 0.379) 4.368 3.860 ( 2.682 1.564 -0.347) 3.124 4.525 ( 1.688 5.885 0.620) 6.154 4.835 ( -0.485 15.028 -1.753) 15.138 5.343 ( -1.387 -6.167 3.989) 7.475 5.422 ( -2.021 -6.374 -2.691) 7.208 16.347 ( -5.956 -16.792 -1.142) 17.854 19.839 ( -2.416 -17.433 1.430) 17.658 21.802 ( 14.968 16.232 0.067) 22.080 25.485 ( -20.072 23.159 0.215) 30.648 26.171 ( 8.481 15.456 0.221) 17.631 28.007 ( 9.261 8.108 -0.178) 12.310 34.167 ( -1.790 -10.068 0.002) 10.226 35.149 ( -2.775 -8.194 -0.131) 8.652 37.465 ( 3.190 -2.039 -0.145) 3.789 37.854 ( 1.849 -0.710 0.195) 1.990 38.925 ( -1.446 4.304 0.869) 4.623 39.988 ( -2.877 -6.021 -1.201) 6.781 ======================= Grid point 1180 (365/417) ======================= q-point: ( 0.62 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 4.780 15.906 0.842) 16.630 2.585 ( 8.959 11.801 0.668) 14.832 2.608 ( 6.685 10.666 -1.097) 12.636 2.941 ( 7.594 7.273 -0.445) 10.524 3.419 ( 1.029 12.616 0.051) 12.658 3.625 ( -0.574 9.885 0.106) 9.903 3.915 ( 6.359 5.644 0.261) 8.506 3.958 ( 5.336 4.699 -0.348) 7.119 4.593 ( 1.925 1.417 0.364) 2.418 4.960 ( -0.405 12.550 -1.002) 12.596 5.229 ( -3.510 -9.295 1.145) 10.002 5.352 ( -2.301 -0.137 -0.363) 2.333 16.055 ( -9.251 -15.727 -0.658) 18.257 19.636 ( -3.328 -14.224 0.848) 14.633 22.297 ( 23.668 16.948 0.019) 29.110 25.330 ( -20.060 16.045 0.222) 25.688 26.357 ( 0.943 6.284 0.069) 6.355 28.256 ( 11.290 6.104 -0.019) 12.834 34.059 ( -1.649 -5.937 0.047) 6.162 35.002 ( -4.867 -8.522 -0.135) 9.814 37.528 ( 5.396 0.014 -0.131) 5.397 37.901 ( 3.505 1.081 0.147) 3.671 38.919 ( -2.907 1.952 0.397) 3.524 39.832 ( -6.109 -9.721 -0.486) 11.491 ======================= Grid point 1181 (366/417) ======================= q-point: ( 0.69 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 5.888 13.292 0.274) 14.540 2.711 ( 1.665 5.391 -0.455) 5.661 2.911 ( 10.748 11.788 0.197) 15.953 3.171 ( 9.374 8.548 0.122) 12.687 3.528 ( 1.013 7.014 -0.031) 7.087 3.680 ( -0.492 4.240 -0.093) 4.269 4.090 ( 6.318 7.265 0.399) 9.637 4.116 ( 6.120 7.476 -0.444) 9.672 4.621 ( 1.381 -1.119 0.215) 1.790 5.028 ( -2.211 -2.448 -0.057) 3.299 5.097 ( -2.517 1.251 -0.300) 2.827 5.323 ( -1.921 0.895 0.223) 2.131 15.748 ( -9.414 -14.171 -0.239) 17.014 19.464 ( -3.329 -9.789 0.325) 10.345 22.890 ( 24.405 20.263 -0.010) 31.721 25.146 ( -14.173 6.546 0.135) 15.612 26.333 ( -4.815 -3.893 0.027) 6.192 28.482 ( 8.081 6.171 -0.003) 10.167 34.002 ( -0.447 -2.100 0.053) 2.148 34.826 ( -5.804 -8.809 -0.082) 10.550 37.639 ( 5.749 3.139 -0.082) 6.550 37.989 ( 4.088 3.387 0.078) 5.309 38.872 ( -3.319 -0.759 0.137) 3.408 39.606 ( -7.884 -11.720 -0.154) 14.126 ======================= Grid point 1182 (367/417) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 5.818 10.077 -0.000) 11.636 2.770 ( 1.218 2.109 -0.000) 2.435 3.167 ( 6.231 10.792 -0.000) 12.462 3.381 ( 4.876 8.446 -0.000) 9.753 3.606 ( 2.336 4.046 -0.000) 4.672 3.702 ( 0.498 0.863 -0.000) 0.997 4.251 ( 4.219 7.307 -0.000) 8.438 4.299 ( 5.485 9.500 -0.000) 10.970 4.626 ( 0.045 0.077 -0.000) 0.089 4.877 ( -5.046 -8.739 -0.000) 10.091 5.135 ( 1.220 2.113 -0.000) 2.440 5.298 ( -0.881 -1.525 -0.000) 1.761 15.480 ( -6.871 -11.901 -0.000) 13.742 19.339 ( -2.927 -5.069 -0.000) 5.853 23.471 ( 15.812 27.386 -0.000) 31.623 25.012 ( -2.234 -3.869 -0.000) 4.468 26.133 ( -8.177 -14.162 -0.000) 16.353 28.643 ( 3.757 6.507 -0.000) 7.514 34.002 ( 0.787 1.363 -0.000) 1.574 34.644 ( -5.244 -9.083 -0.000) 10.488 37.772 ( 3.994 6.917 -0.000) 7.987 38.096 ( 3.161 5.476 -0.000) 6.323 38.804 ( -1.994 -3.454 -0.000) 3.988 39.357 ( -7.240 -12.540 -0.000) 14.480 ======================= Grid point 1196 (368/417) ======================= q-point: ( 0.56 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -0.000 17.710 1.702) 17.791 2.351 ( -0.000 13.586 0.805) 13.610 2.483 ( -0.000 11.685 -0.872) 11.718 2.827 ( -0.000 5.463 -1.762) 5.740 3.412 ( -0.000 16.732 0.549) 16.741 3.667 ( -0.000 16.558 -0.313) 16.561 3.768 ( -0.000 1.276 0.318) 1.316 3.842 ( -0.000 0.599 -0.208) 0.634 4.560 ( -0.000 3.275 0.437) 3.304 4.981 ( -0.000 14.162 -1.244) 14.216 5.289 ( 0.000 -8.599 1.956) 8.819 5.400 ( -0.000 -0.528 -0.972) 1.106 16.240 ( 0.000 -15.658 -0.745) 15.676 19.691 ( 0.000 -17.003 1.010) 17.033 21.816 ( -0.000 14.369 0.149) 14.370 25.954 ( -0.000 23.562 0.074) 23.562 26.201 ( -0.000 13.710 0.578) 13.722 27.971 ( -0.000 3.194 -0.214) 3.201 34.091 ( 0.000 -8.131 0.083) 8.132 35.095 ( 0.000 -7.939 -0.253) 7.943 37.411 ( 0.000 -2.347 -0.126) 2.351 37.827 ( 0.000 -0.899 0.173) 0.916 38.983 ( -0.000 3.990 0.698) 4.050 39.946 ( 0.000 -7.845 -0.857) 7.892 ======================= Grid point 1197 (369/417) ======================= q-point: ( 0.62 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 1.638 16.377 1.427) 16.521 2.541 ( 7.692 11.056 0.784) 13.491 2.625 ( 3.836 9.680 -0.974) 10.457 2.903 ( 3.406 5.522 -1.288) 6.615 3.545 ( -1.172 11.789 0.679) 11.867 3.738 ( -2.655 6.118 -0.149) 6.671 3.866 ( 5.186 5.486 -0.052) 7.549 3.902 ( 5.483 4.112 -0.339) 6.862 4.581 ( 0.484 -0.119 0.481) 0.693 5.082 ( -1.183 6.369 -0.513) 6.498 5.204 ( -2.032 -3.082 0.033) 3.692 5.400 ( -1.613 2.954 0.193) 3.371 16.042 ( -5.976 -14.028 -0.326) 15.251 19.529 ( -0.792 -14.606 0.550) 14.638 22.086 ( 15.989 12.771 0.170) 20.464 25.899 ( -23.417 19.031 0.286) 30.176 26.403 ( 2.981 8.568 0.380) 9.079 28.093 ( 11.236 1.802 -0.212) 11.381 34.020 ( -0.448 -5.415 0.155) 5.436 34.992 ( -3.110 -7.613 -0.269) 8.228 37.429 ( 4.489 -1.502 -0.118) 4.735 37.847 ( 3.013 -0.116 0.128) 3.018 38.996 ( -2.641 2.907 0.514) 3.961 39.827 ( -4.007 -9.373 -0.581) 10.210 ======================= Grid point 1198 (370/417) ======================= q-point: ( 0.69 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 2.818 13.654 0.797) 13.964 2.749 ( 1.272 6.998 -0.791) 7.157 2.810 ( 11.792 8.576 0.371) 14.585 3.063 ( 9.734 4.931 -0.271) 10.915 3.610 ( -1.753 7.214 0.577) 7.446 3.746 ( -1.876 3.668 -0.355) 4.135 4.027 ( 8.164 4.975 0.579) 9.578 4.064 ( 6.934 6.100 -0.943) 9.283 4.580 ( 0.930 -2.319 0.563) 2.561 5.016 ( -3.003 -8.258 -0.190) 8.789 5.208 ( -3.409 8.964 -0.648) 9.612 5.394 ( -3.274 3.558 0.427) 4.853 15.782 ( -9.360 -11.969 0.037) 15.194 19.394 ( -0.522 -10.748 0.148) 10.762 22.577 ( 27.372 11.745 0.143) 29.786 25.631 ( -26.853 14.650 0.258) 30.590 26.410 ( -6.349 -0.661 0.326) 6.392 28.337 ( 13.732 2.725 -0.200) 14.001 33.979 ( 0.330 -2.517 0.182) 2.545 34.845 ( -5.564 -7.274 -0.207) 9.160 37.530 ( 8.039 0.206 -0.115) 8.042 37.926 ( 5.585 1.336 0.080) 5.743 38.953 ( -5.068 1.404 0.392) 5.274 39.633 ( -7.504 -9.960 -0.426) 12.477 ======================= Grid point 1214 (371/417) ======================= q-point: ( 0.62 0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( -0.000 15.427 1.666) 15.516 2.571 ( -0.000 8.789 0.847) 8.830 2.673 ( -0.000 8.222 -0.891) 8.270 2.927 ( -0.000 5.206 -1.744) 5.490 3.669 ( -0.000 9.657 1.195) 9.730 3.792 ( -0.000 1.146 0.044) 1.147 3.851 ( -0.000 0.399 0.041) 0.401 3.912 ( -0.000 8.999 -1.087) 9.064 4.570 ( 0.000 -1.624 0.702) 1.769 5.069 ( 0.000 -7.493 -0.238) 7.496 5.273 ( -0.000 9.914 -0.765) 9.944 5.455 ( -0.000 4.832 0.495) 4.857 15.968 ( 0.000 -11.851 0.003) 11.851 19.398 ( 0.000 -13.061 0.236) 13.064 22.059 ( -0.000 10.385 0.280) 10.389 26.358 ( -0.000 17.515 0.051) 17.515 26.406 ( -0.000 7.516 0.856) 7.565 27.981 ( 0.000 -1.163 -0.385) 1.225 33.976 ( 0.000 -4.085 0.233) 4.092 34.950 ( 0.000 -6.553 -0.315) 6.561 37.372 ( 0.000 -1.592 -0.089) 1.595 37.816 ( 0.000 -0.349 0.076) 0.357 39.050 ( -0.000 2.790 0.540) 2.841 39.772 ( 0.000 -9.025 -0.602) 9.045 ======================= Grid point 1216 (372/417) ======================= q-point: (-0.31 -0.38 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 0.386 12.570 1.234) 12.637 2.713 ( 7.530 6.401 0.838) 9.918 2.781 ( 3.510 6.951 -0.959) 7.846 2.987 ( 2.925 3.280 -1.180) 4.550 3.714 ( -2.889 5.572 1.046) 6.363 3.795 ( -0.895 1.518 -0.230) 1.777 3.929 ( 7.256 2.449 0.431) 7.670 4.017 ( 4.377 4.847 -1.119) 6.626 4.553 ( -0.023 -2.178 0.818) 2.327 4.977 ( -1.747 -7.627 -0.618) 7.849 5.346 ( -2.375 8.662 -0.711) 9.010 5.485 ( -2.273 4.638 0.596) 5.199 15.813 ( -6.034 -9.240 0.288) 11.040 19.289 ( 0.548 -9.914 -0.037) 9.930 22.291 ( 16.482 8.095 0.310) 18.365 26.215 ( -23.209 13.317 0.401) 26.762 26.512 ( -4.045 2.615 0.514) 4.844 28.103 ( 14.018 -0.171 -0.410) 14.025 33.948 ( 0.471 -2.327 0.266) 2.389 34.862 ( -3.510 -5.467 -0.275) 6.502 37.406 ( 5.462 -0.852 -0.082) 5.529 37.848 ( 3.977 0.153 0.029) 3.980 39.047 ( -3.418 2.122 0.544) 4.060 39.648 ( -4.528 -8.158 -0.606) 9.350 ======================= Grid point 1233 (373/417) ======================= q-point: (-0.31 -0.31 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( -0.000 9.834 1.404) 9.933 2.700 ( -0.000 4.175 0.919) 4.275 2.792 ( -0.000 4.342 -0.953) 4.445 3.002 ( -0.000 2.979 -1.534) 3.351 3.811 ( -0.000 0.849 -0.215) 0.875 3.812 ( -0.000 4.934 1.444) 5.141 3.856 ( 0.000 0.033 0.282) 0.284 4.012 ( -0.000 2.092 -1.066) 2.348 4.538 ( 0.000 -1.490 0.819) 1.701 4.926 ( 0.000 -5.616 -0.944) 5.695 5.439 ( -0.000 6.380 -0.725) 6.421 5.549 ( -0.000 3.796 0.686) 3.858 15.792 ( 0.000 -6.163 0.486) 6.183 19.198 ( 0.000 -7.388 -0.196) 7.391 22.215 ( -0.000 5.434 0.412) 5.450 26.512 ( -0.000 3.191 1.098) 3.374 26.620 ( -0.000 9.265 0.026) 9.265 27.948 ( 0.000 -1.611 -0.575) 1.710 33.925 ( 0.000 -1.560 0.306) 1.590 34.848 ( 0.000 -3.702 -0.280) 3.713 37.349 ( 0.000 -0.759 -0.053) 0.761 37.812 ( 0.000 -0.104 -0.025) 0.107 39.098 ( -0.000 1.889 0.638) 1.993 39.617 ( 0.000 -6.112 -0.719) 6.155 ======================= Grid point 1389 (374/417) ======================= q-point: ( 0.31 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.267 ( 0.000 -0.000 6.068) 6.068 0.267 ( 0.000 -0.000 6.068) 6.068 0.584 ( 0.000 -0.000 14.939) 14.939 1.285 ( -0.000 0.000 -1.772) 1.772 1.285 ( -0.000 0.000 -1.772) 1.772 2.748 ( -0.000 0.000 -5.984) 5.984 3.686 ( 0.000 -0.000 0.900) 0.900 3.686 ( 0.000 -0.000 0.900) 0.900 3.799 ( -0.000 0.000 -0.768) 0.768 3.799 ( -0.000 0.000 -0.768) 0.768 5.792 ( 0.000 -0.000 1.227) 1.227 6.129 ( 0.000 -0.000 0.816) 0.816 17.670 ( -0.000 0.000 -5.433) 5.433 20.614 ( 0.000 -0.000 0.448) 0.448 20.614 ( 0.000 -0.000 0.448) 0.448 21.542 ( 0.000 -0.000 7.010) 7.010 24.113 ( 0.000 -0.000 0.005) 0.005 24.113 ( 0.000 -0.000 0.005) 0.005 35.579 ( 0.000 -0.000 1.317) 1.317 37.058 ( -0.000 0.000 -1.285) 1.285 37.616 ( -0.000 0.000 -0.126) 0.126 37.616 ( -0.000 0.000 -0.126) 0.126 37.968 ( -0.000 0.000 -0.040) 0.040 37.968 ( -0.000 0.000 -0.040) 0.040 ======================= Grid point 1390 (375/417) ======================= q-point: ( 0.38 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 5.852 3.379 10.852) 12.784 0.653 ( 23.058 13.313 2.098) 26.708 0.917 ( 36.028 20.801 1.571) 41.631 1.377 ( 8.239 4.757 -1.358) 9.610 1.570 ( 21.866 12.625 -0.717) 25.259 2.725 ( -0.784 -0.453 -5.313) 5.389 3.698 ( 0.664 0.383 0.635) 0.996 3.794 ( -0.061 -0.035 -0.554) 0.559 3.819 ( 8.837 5.102 -3.074) 10.657 3.902 ( 7.889 4.554 0.332) 9.115 5.703 ( -5.429 -3.134 5.771) 8.521 6.043 ( -5.620 -3.245 -1.574) 6.678 17.511 ( -9.509 -5.490 -0.890) 11.017 20.689 ( 6.449 3.724 0.362) 7.456 20.984 ( -5.722 -3.304 -8.560) 10.813 23.780 ( 136.850 79.010 -41.482) 163.375 24.220 ( 9.340 5.393 0.015) 10.785 24.387 ( 29.026 16.758 0.015) 33.516 35.557 ( -2.143 -1.237 1.243) 2.769 36.053 ( -47.758 -27.573 11.313) 56.294 37.602 ( -1.121 -0.647 -0.095) 1.298 37.957 ( -0.944 -0.545 -0.067) 1.093 38.021 ( 20.848 12.036 10.180) 26.137 38.814 ( 44.287 25.569 -32.700) 60.699 ======================= Grid point 1391 (376/417) ======================= q-point: ( 0.44 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 12.677 7.319 5.459) 15.623 1.175 ( 22.586 13.040 0.763) 26.092 1.618 ( 12.797 7.388 -0.714) 14.794 1.718 ( 34.380 19.849 0.190) 39.699 2.132 ( 26.539 15.322 0.364) 30.647 2.703 ( 0.013 0.008 -3.838) 3.838 3.717 ( 0.903 0.521 0.054) 1.044 3.794 ( 0.182 0.105 -0.046) 0.215 4.035 ( 10.905 6.296 -4.010) 13.216 4.109 ( 9.965 5.753 2.219) 11.718 5.602 ( -4.894 -2.826 5.772) 8.078 5.895 ( -7.073 -4.084 -2.921) 8.674 17.250 ( -13.343 -7.703 -1.882) 15.521 20.733 ( -13.774 -7.953 -1.047) 15.940 20.894 ( 11.497 6.638 0.202) 13.278 24.519 ( 17.001 9.816 0.034) 19.631 24.829 ( 26.157 15.102 -1.980) 30.268 26.238 ( 73.191 42.257 -16.260) 86.064 35.196 ( -30.790 -17.776 4.452) 35.830 35.492 ( -3.986 -2.301 0.863) 4.682 37.567 ( -1.983 -1.145 -0.053) 2.290 37.928 ( -1.604 -0.926 -0.084) 1.854 38.460 ( 14.960 8.637 8.788) 19.381 39.557 ( 27.315 15.771 -21.091) 37.943 ======================= Grid point 1392 (377/417) ======================= q-point: ( 0.50 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 15.318 8.844 1.844) 17.783 1.651 ( 19.704 11.376 0.088) 22.752 1.920 ( 13.702 7.911 -0.078) 15.822 2.431 ( 28.611 16.519 -1.120) 33.056 2.645 ( 10.509 6.067 0.169) 12.136 2.788 ( 16.432 9.487 -0.589) 18.983 3.737 ( 0.937 0.541 -0.654) 1.264 3.802 ( 0.501 0.289 0.590) 0.826 4.268 ( 9.942 5.740 -3.235) 11.927 4.362 ( 12.448 7.187 1.835) 14.491 5.502 ( -4.893 -2.825 4.631) 7.306 5.717 ( -8.260 -4.769 -2.665) 9.903 16.922 ( -15.208 -8.781 -2.332) 17.715 20.396 ( -16.020 -9.249 1.710) 18.577 21.188 ( 14.247 8.226 0.019) 16.452 24.959 ( 21.696 12.526 0.043) 25.052 25.397 ( 24.001 13.857 -0.981) 27.731 27.347 ( 32.160 18.568 -3.445) 37.295 34.649 ( -19.352 -11.173 0.844) 22.362 35.385 ( -5.669 -3.273 0.702) 6.584 37.516 ( -2.444 -1.411 -0.010) 2.822 37.889 ( -1.733 -1.001 -0.086) 2.003 38.731 ( 8.784 5.072 3.563) 10.751 39.951 ( 10.760 6.212 -7.329) 14.425 ======================= Grid point 1393 (378/417) ======================= q-point: ( 0.56 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 16.025 9.252 -0.300) 18.507 2.051 ( 15.934 9.200 -0.404) 18.404 2.216 ( 12.466 7.197 0.456) 14.402 2.719 ( 3.561 2.056 -0.486) 4.140 3.020 ( 21.888 12.637 -1.112) 25.299 3.262 ( 20.108 11.609 1.681) 23.279 3.756 ( 0.883 0.510 -0.958) 1.399 3.818 ( 0.742 0.428 0.848) 1.205 4.458 ( 7.253 4.187 -1.686) 8.543 4.665 ( 13.984 8.073 0.568) 16.157 5.413 ( -3.482 -2.010 3.595) 5.393 5.517 ( -9.051 -5.226 -2.350) 10.712 16.573 ( -15.233 -8.795 -1.963) 17.699 20.035 ( -16.251 -9.383 1.945) 18.866 21.514 ( 14.457 8.347 -0.148) 16.694 25.465 ( 22.803 13.165 0.033) 26.330 25.874 ( 18.365 10.603 -0.858) 21.223 27.814 ( 12.187 7.036 -0.246) 14.074 34.304 ( -12.022 -6.941 -0.077) 13.881 35.245 ( -6.787 -3.918 0.516) 7.854 37.461 ( -2.440 -1.408 0.024) 2.817 37.853 ( -1.381 -0.798 -0.072) 1.597 38.891 ( 5.421 3.130 0.781) 6.308 40.040 ( -1.066 -0.615 -1.669) 2.073 ======================= Grid point 1394 (379/417) ======================= q-point: ( 0.62 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 15.464 8.928 -1.423) 17.913 2.361 ( 11.801 6.813 -0.750) 13.648 2.472 ( 10.097 5.829 0.815) 11.687 2.810 ( 4.485 2.589 1.006) 5.275 3.427 ( 14.703 8.489 -1.864) 17.080 3.652 ( 14.158 8.174 2.081) 16.481 3.774 ( 0.887 0.512 -0.702) 1.242 3.837 ( 0.720 0.416 0.588) 1.018 4.569 ( 2.618 1.512 -0.965) 3.173 4.970 ( 12.510 7.223 0.443) 14.452 5.303 ( -8.686 -5.015 0.183) 10.032 5.391 ( 0.802 0.463 0.242) 0.957 16.243 ( -13.615 -7.861 -1.309) 15.776 19.689 ( -14.651 -8.459 1.278) 16.966 21.819 ( 12.488 7.210 -0.275) 14.423 25.955 ( 20.410 11.784 0.009) 23.568 26.210 ( 11.918 6.881 -0.923) 13.793 27.967 ( 2.700 1.559 0.409) 3.145 34.094 ( -6.991 -4.036 -0.246) 8.076 35.091 ( -6.865 -3.964 0.382) 7.937 37.410 ( -2.028 -1.171 0.047) 2.343 37.829 ( -0.808 -0.466 -0.047) 0.934 38.989 ( 3.496 2.018 -0.268) 4.046 39.940 ( -6.867 -3.965 0.119) 7.931 ======================= Grid point 1395 (380/417) ======================= q-point: ( 0.69 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 13.321 7.691 -1.737) 15.479 2.577 ( 7.622 4.400 -0.919) 8.848 2.667 ( 7.116 4.109 0.969) 8.274 2.916 ( 4.490 2.592 1.723) 5.464 3.679 ( 8.366 4.830 -1.979) 9.860 3.793 ( 0.879 0.508 -0.222) 1.040 3.851 ( 0.450 0.260 0.132) 0.536 3.903 ( 7.834 4.523 1.924) 9.248 4.575 ( -1.346 -0.777 -0.831) 1.762 5.067 ( -6.607 -3.815 0.539) 7.649 5.270 ( 8.458 4.883 0.313) 9.771 5.457 ( 4.346 2.509 -0.163) 5.021 15.971 ( -10.274 -5.932 -0.749) 11.887 19.397 ( -11.277 -6.511 0.567) 13.034 22.061 ( 9.016 5.205 -0.362) 10.417 26.358 ( 15.169 8.758 -0.015) 17.515 26.412 ( 6.544 3.778 -1.028) 7.626 27.979 ( -1.034 -0.597 0.540) 1.310 33.978 ( -3.523 -2.034 -0.284) 4.078 34.948 ( -5.666 -3.271 0.315) 6.550 37.372 ( -1.375 -0.794 0.057) 1.588 37.816 ( -0.320 -0.185 -0.013) 0.370 39.053 ( 2.428 1.402 -0.572) 2.861 39.768 ( -7.841 -4.527 0.603) 9.074 ======================= Grid point 1406 (381/417) ======================= q-point: ( 0.38 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -0.000 26.244 2.439) 26.357 0.666 ( 0.000 5.463 10.188) 11.560 0.925 ( -0.000 41.597 1.013) 41.609 1.383 ( -0.000 9.953 -1.585) 10.078 1.562 ( -0.000 25.312 -0.283) 25.314 2.715 ( -0.000 -0.749 -5.048) 5.103 3.689 ( 0.000 0.211 0.926) 0.950 3.798 ( -0.000 7.822 -1.303) 7.929 3.802 ( -0.000 0.401 -0.782) 0.879 3.926 ( -0.000 12.066 -1.547) 12.164 5.716 ( 0.000 -5.946 5.616) 8.179 6.039 ( 0.000 -6.851 -1.826) 7.090 17.502 ( 0.000 -11.391 -0.546) 11.404 20.689 ( -0.000 7.397 0.365) 7.406 20.962 ( -0.000 -5.599 -7.851) 9.643 23.617 ( -0.000 139.074 -26.582) 141.591 24.220 ( -0.000 10.787 0.012) 10.787 24.468 ( -0.000 50.127 -7.720) 50.718 35.559 ( 0.000 -2.658 1.190) 2.913 36.076 ( 0.000 -54.832 9.617) 55.669 37.603 ( 0.000 -1.244 -0.129) 1.250 37.955 ( 0.000 -1.186 0.023) 1.187 38.057 ( 0.000 24.544 10.324) 26.627 38.743 ( -0.000 50.715 -30.110) 58.980 ======================= Grid point 1407 (382/417) ======================= q-point: ( 0.44 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 6.490 10.295 6.216) 13.666 1.044 ( 14.216 23.434 1.219) 27.436 1.486 ( 16.783 29.625 -0.175) 34.050 1.576 ( 10.012 18.208 -0.648) 20.789 1.965 ( 15.244 26.165 0.260) 30.283 2.697 ( -0.221 -0.274 -3.915) 3.930 3.711 ( 1.324 0.666 0.708) 1.642 3.789 ( -0.310 0.804 -0.728) 1.128 3.962 ( 7.586 8.860 -1.180) 11.723 4.066 ( 3.250 11.038 -0.770) 11.533 5.644 ( -2.948 -4.993 5.969) 8.322 5.930 ( -3.849 -6.821 -3.125) 8.432 17.318 ( -7.104 -13.061 -1.149) 14.912 20.804 ( -6.683 -11.867 -2.126) 13.785 20.848 ( 6.947 11.797 0.190) 13.692 24.258 ( 8.389 12.726 -1.401) 15.306 24.777 ( 18.476 26.396 0.841) 32.231 25.738 ( 49.892 92.421 -20.166) 106.946 35.403 ( -19.544 -34.587 5.456) 40.100 35.520 ( -3.193 -4.286 0.427) 5.362 37.583 ( -0.850 -1.343 -0.103) 1.593 37.934 ( -0.716 -1.496 0.055) 1.660 38.386 ( 9.038 16.134 9.597) 20.835 39.329 ( 19.355 33.903 -23.154) 45.388 ======================= Grid point 1408 (383/417) ======================= q-point: ( 0.50 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 11.139 11.901 2.637) 16.513 1.514 ( 15.360 20.239 0.380) 25.410 1.830 ( 10.088 13.988 -0.435) 17.252 2.181 ( 23.431 25.764 -0.538) 34.829 2.504 ( 18.645 21.430 1.066) 28.425 2.703 ( 2.298 1.694 -2.411) 3.737 3.740 ( 0.591 1.768 -0.067) 1.865 3.799 ( 0.603 0.749 0.003) 0.962 4.196 ( 8.146 11.082 -3.197) 14.121 4.247 ( 8.256 7.142 1.951) 11.090 5.551 ( -3.880 -4.625 4.880) 7.763 5.775 ( -5.848 -6.777 -2.980) 9.435 17.026 ( -11.005 -13.952 -1.824) 17.863 20.522 ( -11.369 -13.213 0.921) 17.455 21.132 ( 9.272 17.061 0.076) 19.418 24.587 ( 20.902 4.578 -0.362) 21.400 25.323 ( 15.376 27.717 -0.327) 31.698 27.064 ( 33.106 41.599 -5.266) 53.425 34.820 ( -17.536 -20.135 1.354) 26.735 35.427 ( -3.913 -4.708 0.584) 6.150 37.549 ( -1.997 -0.696 -0.045) 2.115 37.905 ( -1.149 -1.165 -0.018) 1.637 38.656 ( 7.663 7.777 4.463) 11.795 39.821 ( 13.134 15.126 -9.390) 22.124 ======================= Grid point 1409 (384/417) ======================= q-point: ( 0.56 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 13.388 11.834 0.314) 17.871 1.938 ( 13.152 17.429 -0.188) 21.835 2.131 ( 9.784 13.085 0.128) 16.339 2.688 ( 5.550 6.100 -1.220) 8.337 2.805 ( 17.814 15.659 -0.061) 23.718 3.055 ( 19.597 15.547 0.974) 25.034 3.765 ( 0.035 2.638 -0.744) 2.741 3.822 ( 0.630 1.674 0.649) 1.903 4.395 ( 5.870 7.788 -2.127) 9.981 4.514 ( 13.178 7.932 1.174) 15.426 5.451 ( -3.631 -4.020 3.466) 6.431 5.592 ( -7.329 -7.000 -2.282) 10.389 16.687 ( -12.257 -14.107 -1.663) 18.761 20.186 ( -13.584 -12.642 1.550) 18.621 21.470 ( 8.853 20.183 -0.078) 22.040 25.024 ( 27.921 -0.508 -0.155) 27.927 25.808 ( 12.937 22.368 -0.537) 25.845 27.727 ( 14.050 19.990 -0.730) 24.445 34.421 ( -12.204 -11.689 0.102) 16.899 35.299 ( -5.251 -5.807 0.463) 7.843 37.506 ( -2.863 0.390 0.014) 2.889 37.876 ( -1.443 -0.137 -0.061) 1.451 38.826 ( 5.756 3.402 1.209) 6.794 40.019 ( 2.905 1.791 -2.446) 4.199 ======================= Grid point 1410 (385/417) ======================= q-point: ( 0.62 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 14.134 11.024 -0.979) 17.951 2.287 ( 9.681 14.768 -0.599) 17.669 2.402 ( 8.294 10.844 0.550) 13.663 2.786 ( 3.015 5.045 0.677) 5.916 3.250 ( 16.418 10.969 -1.274) 19.786 3.483 ( 15.658 9.635 1.420) 18.440 3.794 ( -0.031 4.085 -0.652) 4.137 3.854 ( 0.161 3.231 0.614) 3.293 4.536 ( 3.866 4.062 -1.096) 5.714 4.820 ( 13.559 7.478 0.606) 15.496 5.379 ( -3.394 -4.099 3.934) 6.618 5.391 ( -5.628 -5.141 -3.492) 8.385 16.347 ( -11.596 -13.570 -1.102) 17.884 19.841 ( -13.836 -10.827 1.075) 17.602 21.803 ( 6.627 21.058 -0.190) 22.077 25.487 ( 30.103 -5.762 -0.153) 30.650 26.176 ( 9.251 14.894 -0.587) 17.543 28.004 ( 2.333 12.130 0.215) 12.354 34.168 ( -7.768 -6.563 -0.167) 10.171 35.146 ( -5.759 -6.453 0.357) 8.656 37.463 ( -3.367 1.745 0.057) 3.793 37.856 ( -1.538 1.218 -0.073) 1.963 38.931 ( 4.520 0.796 -0.095) 4.590 39.981 ( -3.839 -5.368 -0.134) 6.601 ======================= Grid point 1411 (386/417) ======================= q-point: ( 0.69 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 13.449 9.447 -1.455) 16.500 2.546 ( 5.748 12.172 -0.814) 13.486 2.619 ( 6.452 8.121 0.848) 10.407 2.894 ( 2.950 5.925 1.364) 6.758 3.552 ( 10.872 4.769 -1.392) 11.953 3.736 ( 6.868 0.851 0.517) 6.940 3.865 ( 2.084 7.458 0.283) 7.749 3.899 ( 0.587 6.554 0.534) 6.602 4.585 ( -0.314 0.350 -0.694) 0.838 5.079 ( 6.466 2.394 0.581) 6.920 5.205 ( -2.302 -3.701 -0.128) 4.360 5.401 ( 3.638 0.254 0.080) 3.648 16.043 ( -9.162 -12.184 -0.565) 15.255 19.529 ( -12.229 -7.994 0.424) 14.616 22.087 ( 3.099 20.222 -0.263) 20.460 25.901 ( 28.216 -10.743 -0.247) 30.193 26.406 ( 5.972 6.804 -0.593) 9.073 28.091 ( -4.099 10.651 0.382) 11.419 34.021 ( -4.440 -3.091 -0.229) 5.415 34.990 ( -5.050 -6.478 0.301) 8.219 37.429 ( -3.541 3.135 0.081) 4.730 37.847 ( -1.620 2.540 -0.060) 3.013 38.999 ( 3.860 -0.862 -0.483) 3.984 39.824 ( -6.146 -8.128 0.485) 10.201 ======================= Grid point 1424 (387/417) ======================= q-point: ( 0.44 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -0.000 13.373 5.137) 14.326 1.165 ( -0.000 25.851 1.324) 25.885 1.628 ( -0.000 15.090 -1.284) 15.144 1.720 ( -0.000 39.242 -0.061) 39.242 2.135 ( -0.000 31.547 0.399) 31.550 2.690 ( -0.000 0.220 -3.234) 3.241 3.701 ( 0.000 0.657 0.931) 1.140 3.808 ( -0.000 0.541 -0.775) 0.945 3.982 ( -0.000 11.206 0.329) 11.211 4.166 ( -0.000 12.913 -2.397) 13.134 5.626 ( 0.000 -5.990 5.541) 8.160 5.881 ( 0.000 -8.114 -3.206) 8.725 17.236 ( 0.000 -15.530 -0.952) 15.559 20.725 ( 0.000 -14.936 -0.653) 14.950 20.894 ( -0.000 13.216 0.235) 13.218 24.519 ( -0.000 19.625 0.029) 19.625 24.767 ( -0.000 33.483 1.636) 33.522 26.220 ( -0.000 84.897 -14.131) 86.065 35.211 ( 0.000 -36.027 3.327) 36.180 35.502 ( 0.000 -4.966 0.245) 4.972 37.568 ( 0.000 -2.254 -0.134) 2.258 37.925 ( 0.000 -1.903 0.116) 1.907 38.494 ( 0.000 15.392 7.518) 17.130 39.486 ( -0.000 35.269 -17.262) 39.267 ======================= Grid point 1425 (388/417) ======================= q-point: ( 0.50 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 5.350 14.937 2.977) 16.143 1.508 ( 10.381 23.138 0.886) 25.376 1.836 ( 6.492 16.048 -0.980) 17.339 2.179 ( 10.607 32.879 -0.367) 34.549 2.514 ( 8.993 28.526 0.297) 29.912 2.695 ( 0.289 1.913 -1.888) 2.703 3.730 ( 1.952 0.975 0.817) 2.331 3.808 ( -0.266 1.282 -0.767) 1.517 4.156 ( 6.650 10.895 1.093) 12.811 4.289 ( 0.559 12.465 -2.477) 12.721 5.559 ( -2.058 -5.974 4.540) 7.781 5.769 ( -2.883 -8.296 -2.847) 9.233 17.020 ( -6.343 -16.545 -1.270) 17.765 20.523 ( -5.565 -16.308 0.875) 17.253 21.131 ( 10.200 16.516 0.128) 19.412 24.583 ( -6.258 20.442 0.016) 21.379 25.312 ( 17.598 27.228 0.732) 32.428 27.062 ( 18.853 49.946 -4.972) 53.617 34.823 ( -8.787 -25.429 1.051) 26.925 35.430 ( -2.361 -5.678 0.243) 6.154 37.550 ( 0.325 -2.034 -0.118) 2.064 37.903 ( -0.298 -1.642 0.132) 1.674 38.662 ( 2.988 9.868 4.012) 11.064 39.809 ( 6.319 20.091 -8.319) 22.645 ======================= Grid point 1426 (389/417) ======================= q-point: ( 0.56 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 8.914 14.773 1.062) 17.287 1.918 ( 12.113 20.500 0.369) 23.814 2.119 ( 8.479 15.213 -0.530) 17.424 2.645 ( 10.362 17.987 -1.268) 20.797 2.757 ( 5.345 9.793 -0.116) 11.157 2.954 ( 12.841 22.117 0.648) 25.583 3.780 ( 1.811 2.242 0.285) 2.896 3.827 ( 0.768 2.177 -0.329) 2.332 4.391 ( 7.987 7.160 1.882) 10.890 4.427 ( 3.767 13.361 -2.756) 14.153 5.468 ( -2.914 -5.408 3.249) 6.950 5.616 ( -4.990 -8.437 -2.153) 10.036 16.716 ( -9.699 -16.863 -1.210) 19.491 20.243 ( -9.043 -15.751 1.227) 18.204 21.515 ( 12.362 21.361 -0.001) 24.680 24.749 ( 6.894 11.766 -0.027) 13.637 25.809 ( 12.807 21.853 -0.047) 25.330 27.709 ( 14.768 25.754 -0.926) 29.702 34.470 ( -9.091 -15.739 0.139) 18.176 35.315 ( -4.055 -6.867 0.216) 7.978 37.538 ( -0.316 -0.474 -0.065) 0.574 37.888 ( -0.222 -0.496 0.067) 0.547 38.791 ( 3.097 5.049 1.412) 6.089 39.995 ( 2.433 4.622 -2.641) 5.853 ======================= Grid point 1427 (390/417) ======================= q-point: ( 0.62 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 10.929 13.682 -0.197) 17.512 2.294 ( 9.705 18.604 -0.153) 20.983 2.389 ( 7.214 12.363 -0.019) 14.314 2.800 ( 3.074 7.228 0.146) 7.856 3.116 ( 13.268 14.887 -0.612) 19.951 3.349 ( 12.736 13.558 0.758) 18.617 3.834 ( 0.896 4.762 -0.365) 4.859 3.877 ( 1.622 3.858 0.337) 4.199 4.528 ( 2.824 5.962 -0.704) 6.635 4.687 ( 11.012 9.621 0.253) 14.625 5.382 ( -2.006 -3.975 2.129) 4.935 5.432 ( -6.485 -8.476 -1.660) 10.801 16.379 ( -10.386 -16.697 -0.776) 19.679 19.934 ( -10.661 -13.527 0.804) 17.242 21.929 ( 8.816 26.030 -0.085) 27.482 25.021 ( 17.568 0.678 -0.075) 17.582 26.161 ( 8.551 13.593 -0.262) 16.061 28.076 ( 6.271 15.548 0.029) 16.765 34.217 ( -6.830 -9.099 -0.073) 11.377 35.166 ( -5.055 -7.872 0.187) 9.357 37.530 ( -1.461 1.977 0.013) 2.459 37.887 ( -0.358 1.384 -0.014) 1.430 38.873 ( 2.972 1.296 0.152) 3.246 39.980 ( -2.751 -5.228 -0.390) 5.920 ======================= Grid point 1428 (391/417) ======================= q-point: ( 0.69 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 11.544 11.901 -0.799) 16.599 2.590 ( 5.622 12.051 -0.786) 13.321 2.602 ( 5.961 12.686 0.851) 14.042 2.937 ( 2.411 10.470 0.671) 10.765 3.422 ( 10.513 7.095 -0.745) 12.705 3.624 ( 8.798 4.499 0.525) 9.895 3.916 ( 1.669 8.336 -0.170) 8.503 3.955 ( 1.372 6.951 0.379) 7.095 4.596 ( 0.254 2.278 -0.522) 2.351 4.955 ( 11.088 6.087 0.541) 12.661 5.234 ( -6.651 -8.192 -0.468) 10.562 5.350 ( 1.406 -1.635 0.346) 2.183 16.054 ( -8.987 -15.856 -0.305) 18.228 19.638 ( -10.636 -10.030 0.222) 14.621 22.297 ( 2.872 28.951 -0.123) 29.093 25.331 ( 23.966 -9.367 -0.166) 25.732 26.358 ( 5.027 3.912 -0.311) 6.377 28.256 ( -0.393 12.855 0.182) 12.862 34.059 ( -4.285 -4.399 -0.128) 6.142 35.001 ( -4.985 -8.449 0.187) 9.812 37.527 ( -2.699 4.686 0.080) 5.408 37.902 ( -0.807 3.561 -0.067) 3.652 38.922 ( 3.195 -1.613 -0.297) 3.592 39.830 ( -5.414 -10.066 0.282) 11.433 ======================= Grid point 1442 (392/417) ======================= q-point: ( 0.50 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -0.000 16.778 2.523) 16.967 1.642 ( -0.000 22.583 0.962) 22.604 1.930 ( -0.000 16.026 -1.054) 16.060 2.422 ( -0.000 32.306 -0.347) 32.308 2.671 ( -0.000 10.245 -2.454) 10.535 2.772 ( -0.000 22.335 1.043) 22.359 3.721 ( 0.000 0.973 0.886) 1.316 3.816 ( -0.000 0.666 -0.727) 0.986 4.219 ( -0.000 12.112 1.621) 12.220 4.410 ( -0.000 13.643 -2.904) 13.948 5.524 ( 0.000 -6.379 3.769) 7.409 5.703 ( 0.000 -9.057 -2.410) 9.372 16.908 ( 0.000 -17.477 -0.991) 17.505 20.402 ( 0.000 -18.145 1.117) 18.179 21.186 ( -0.000 16.385 0.139) 16.385 24.959 ( -0.000 25.042 0.045) 25.042 25.375 ( -0.000 28.421 1.113) 28.443 27.338 ( -0.000 38.064 -2.593) 38.152 34.654 ( 0.000 -22.799 0.383) 22.803 35.392 ( 0.000 -6.579 -0.000) 6.579 37.517 ( 0.000 -2.804 -0.135) 2.807 37.886 ( 0.000 -2.007 0.186) 2.016 38.742 ( -0.000 9.013 2.627) 9.388 39.926 ( -0.000 14.515 -4.995) 15.350 ======================= Grid point 1443 (393/417) ======================= q-point: ( 0.56 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 3.931 17.069 1.584) 17.587 1.932 ( 8.742 19.961 0.772) 21.805 2.138 ( 6.156 15.163 -0.894) 16.389 2.690 ( 2.482 9.386 -1.574) 9.836 2.805 ( 4.397 21.551 0.020) 21.995 3.059 ( 3.727 25.334 0.388) 25.610 3.755 ( 2.477 1.352 0.756) 2.921 3.831 ( 0.984 1.380 -0.678) 1.825 4.370 ( 4.053 9.827 1.753) 10.774 4.538 ( -0.080 14.561 -2.600) 14.791 5.457 ( -1.546 -5.786 2.933) 6.669 5.587 ( -2.449 -9.381 -1.972) 9.894 16.682 ( -6.037 -17.602 -0.763) 18.624 20.190 ( -4.092 -18.069 0.983) 18.553 21.469 ( 13.088 17.715 0.081) 22.026 25.022 ( -14.403 23.946 0.176) 27.944 25.802 ( 13.250 22.441 0.425) 26.064 27.727 ( 10.212 22.381 -0.713) 24.611 34.422 ( -4.051 -16.534 0.054) 17.023 35.302 ( -2.507 -7.439 -0.075) 7.851 37.507 ( 1.742 -2.266 -0.123) 2.860 37.874 ( 0.661 -1.330 0.173) 1.495 38.825 ( 0.189 6.338 1.264) 6.466 40.017 ( -0.029 3.970 -2.071) 4.478 ======================= Grid point 1444 (394/417) ======================= q-point: ( 0.62 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 6.650 16.141 0.651) 17.469 2.292 ( 11.432 17.574 0.500) 20.971 2.391 ( 6.900 12.576 -0.650) 14.359 2.802 ( 4.500 6.436 -0.602) 7.876 3.113 ( 6.382 18.811 0.113) 19.865 3.351 ( 5.280 17.890 0.092) 18.653 3.832 ( 3.863 3.148 0.409) 5.000 3.880 ( 2.356 3.364 -0.430) 4.129 4.523 ( 4.176 5.528 0.866) 6.982 4.691 ( 2.340 14.296 -1.278) 14.543 5.380 ( -2.043 -4.491 2.609) 5.581 5.434 ( -4.412 -9.167 -2.107) 10.390 16.378 ( -9.260 -17.327 -0.393) 19.650 19.935 ( -6.350 -16.026 0.513) 17.246 21.929 ( 18.157 20.633 0.021) 27.485 25.020 ( -8.143 15.529 0.116) 17.536 26.159 ( 7.584 14.169 0.086) 16.071 28.076 ( 10.297 13.243 -0.092) 16.775 34.217 ( -4.455 -10.487 0.007) 11.394 35.167 ( -4.349 -8.292 -0.060) 9.364 37.530 ( 2.416 -0.260 -0.079) 2.431 37.887 ( 1.415 0.367 0.098) 1.466 38.872 ( -0.258 3.137 0.401) 3.173 39.981 ( -3.263 -4.887 -0.557) 5.903 ======================= Grid point 1445 (395/417) ======================= q-point: ( 0.69 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 8.268 14.320 -0.000) 16.536 2.585 ( 4.554 7.887 -0.000) 9.107 2.637 ( 9.392 16.267 -0.000) 18.783 2.978 ( 6.046 10.471 -0.000) 12.091 3.361 ( 6.065 10.504 -0.000) 12.130 3.564 ( 4.751 8.229 -0.000) 9.502 3.948 ( 4.026 6.973 -0.000) 8.052 3.977 ( 3.661 6.341 -0.000) 7.322 4.610 ( 1.428 2.474 -0.000) 2.856 4.880 ( 5.740 9.942 -0.000) 11.480 5.251 ( -5.540 -9.596 -0.000) 11.080 5.329 ( -0.976 -1.691 -0.000) 1.953 16.050 ( -9.610 -16.644 -0.000) 19.219 19.681 ( -7.146 -12.377 -0.000) 14.292 22.438 ( 14.772 25.586 -0.000) 29.544 25.056 ( 1.772 3.070 -0.000) 3.545 26.332 ( 2.469 4.276 -0.000) 4.938 28.325 ( 5.904 10.227 -0.000) 11.809 34.074 ( -3.175 -5.499 -0.000) 6.349 35.001 ( -5.194 -8.996 -0.000) 10.388 37.578 ( 1.688 2.923 -0.000) 3.375 37.928 ( 1.575 2.728 -0.000) 3.150 38.883 ( -0.097 -0.168 -0.000) 0.194 39.825 ( -5.916 -10.248 -0.000) 11.833 ======================= Grid point 1460 (396/417) ======================= q-point: ( 0.56 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -0.000 18.022 1.679) 18.100 2.043 ( -0.000 18.296 0.841) 18.316 2.225 ( -0.000 14.501 -0.934) 14.531 2.726 ( -0.000 4.719 -1.602) 4.984 3.010 ( -0.000 24.671 0.469) 24.676 3.274 ( -0.000 23.712 -0.202) 23.713 3.745 ( 0.000 1.135 0.755) 1.363 3.827 ( -0.000 0.744 -0.607) 0.961 4.437 ( -0.000 9.137 1.395) 9.243 4.682 ( -0.000 15.460 -2.062) 15.597 5.422 ( 0.000 -5.052 2.895) 5.822 5.511 ( 0.000 -9.645 -2.139) 9.880 16.563 ( 0.000 -17.470 -0.386) 17.474 20.044 ( 0.000 -18.797 0.640) 18.808 21.512 ( -0.000 16.635 0.136) 16.636 25.465 ( -0.000 26.322 0.048) 26.322 25.863 ( -0.000 21.284 0.728) 21.297 27.815 ( -0.000 14.358 -0.389) 14.364 34.303 ( 0.000 -14.021 0.034) 14.021 35.250 ( 0.000 -7.868 -0.245) 7.871 37.462 ( 0.000 -2.813 -0.122) 2.816 37.852 ( 0.000 -1.575 0.189) 1.587 38.890 ( -0.000 5.872 0.891) 5.939 40.037 ( -0.000 -0.566 -1.211) 1.337 ======================= Grid point 1461 (397/417) ======================= q-point: ( 0.62 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 2.658 17.596 1.347) 17.846 2.282 ( 8.012 15.715 0.764) 17.656 2.406 ( 5.143 12.663 -0.846) 13.693 2.791 ( 2.751 5.329 -1.207) 6.117 3.244 ( 1.359 19.555 0.726) 19.615 3.489 ( 0.412 18.452 -0.583) 18.466 3.790 ( 3.640 2.162 0.530) 4.267 3.858 ( 2.682 1.668 -0.494) 3.196 4.530 ( 1.660 5.622 0.924) 5.934 4.825 ( -0.413 15.298 -1.269) 15.356 5.368 ( -1.506 -6.844 4.029) 8.083 5.403 ( -1.948 -5.689 -3.562) 6.989 16.344 ( -5.947 -16.779 -0.022) 17.802 19.844 ( -2.443 -17.448 0.192) 17.619 21.802 ( 14.942 16.242 0.139) 22.070 25.486 ( -20.054 23.176 0.200) 30.649 26.173 ( 8.373 15.447 0.437) 17.576 28.006 ( 9.311 8.148 -0.212) 12.375 34.168 ( -1.796 -10.045 0.091) 10.204 35.148 ( -2.746 -8.218 -0.264) 8.669 37.464 ( 3.190 -2.040 -0.109) 3.788 37.855 ( 1.840 -0.715 0.145) 1.979 38.929 ( -1.523 4.221 0.527) 4.518 39.983 ( -2.778 -5.867 -0.583) 6.517 ======================= Grid point 1479 (398/417) ======================= q-point: (-0.38 -0.38 -0.69) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( -0.000 17.724 1.676) 17.803 2.356 ( -0.000 13.586 0.842) 13.612 2.477 ( -0.000 11.695 -0.913) 11.730 2.817 ( -0.000 5.404 -1.499) 5.608 3.418 ( -0.000 16.822 1.246) 16.868 3.662 ( -0.000 16.458 -1.238) 16.505 3.770 ( 0.000 1.148 0.522) 1.261 3.840 ( -0.000 0.716 -0.401) 0.821 4.564 ( -0.000 3.154 0.753) 3.243 4.975 ( -0.000 14.381 -0.902) 14.409 5.300 ( 0.000 -9.836 1.179) 9.906 5.394 ( -0.000 0.632 -0.873) 1.078 16.238 ( 0.000 -15.650 0.306) 15.653 19.693 ( 0.000 -17.008 -0.145) 17.009 21.817 ( -0.000 14.389 0.230) 14.390 25.955 ( -0.000 23.564 0.035) 23.564 26.205 ( -0.000 13.730 0.812) 13.754 27.969 ( -0.000 3.182 -0.336) 3.199 34.092 ( 0.000 -8.100 0.178) 8.102 35.093 ( 0.000 -7.946 -0.344) 7.953 37.410 ( 0.000 -2.344 -0.093) 2.345 37.828 ( 0.000 -0.915 0.118) 0.923 38.987 ( -0.000 3.951 0.525) 3.986 39.942 ( 0.000 -7.789 -0.531) 7.807 ======================= Grid point 1672 (399/417) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.299 ( 0.000 -0.000 4.275) 4.275 0.299 ( 0.000 -0.000 4.275) 4.275 0.664 ( 0.000 -0.000 10.938) 10.938 1.275 ( -0.000 0.000 -1.394) 1.394 1.275 ( -0.000 0.000 -1.394) 1.394 2.713 ( -0.000 0.000 -5.012) 5.012 3.691 ( 0.000 -0.000 0.742) 0.742 3.691 ( 0.000 -0.000 0.742) 0.742 3.794 ( -0.000 0.000 -0.642) 0.642 3.794 ( -0.000 0.000 -0.642) 0.642 5.800 ( 0.000 -0.000 1.498) 1.498 6.131 ( 0.000 -0.000 0.143) 0.143 17.640 ( -0.000 0.000 -4.162) 4.162 20.617 ( 0.000 -0.000 0.343) 0.343 20.617 ( 0.000 -0.000 0.343) 0.343 21.581 ( 0.000 -0.000 5.349) 5.349 24.113 ( 0.000 -0.000 0.004) 0.004 24.113 ( 0.000 -0.000 0.004) 0.004 35.587 ( 0.000 -0.000 1.017) 1.017 37.051 ( -0.000 0.000 -0.987) 0.987 37.615 ( -0.000 0.000 -0.097) 0.097 37.615 ( -0.000 0.000 -0.097) 0.097 37.968 ( -0.000 0.000 -0.031) 0.031 37.968 ( -0.000 0.000 -0.031) 0.031 ======================= Grid point 1673 (400/417) ======================= q-point: ( 0.44 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 22.586 13.040 1.260) 26.110 0.703 ( 4.739 2.736 7.614) 9.377 0.925 ( 35.585 20.545 1.031) 41.103 1.370 ( 8.364 4.829 -0.817) 9.692 1.566 ( 22.151 12.789 -0.531) 25.583 2.696 ( -0.557 -0.321 -4.058) 4.109 3.701 ( 0.553 0.320 0.253) 0.687 3.791 ( 0.034 0.019 -0.225) 0.228 3.804 ( 8.224 4.748 -1.966) 9.697 3.905 ( 8.396 4.848 0.430) 9.705 5.736 ( -4.708 -2.718 4.922) 7.333 6.032 ( -6.363 -3.674 -2.042) 7.626 17.505 ( -9.436 -5.448 -0.882) 10.931 20.691 ( 6.424 3.709 0.240) 7.422 20.938 ( -3.224 -1.861 -6.399) 7.403 23.581 ( 134.386 77.588 -24.278) 157.064 24.220 ( 9.345 5.395 0.012) 10.790 24.391 ( 27.758 16.026 1.086) 32.070 35.564 ( -2.137 -1.234 0.875) 2.619 36.108 ( -48.191 -27.823 6.799) 56.061 37.602 ( -1.113 -0.642 -0.050) 1.286 37.957 ( -0.953 -0.550 -0.082) 1.103 38.086 ( 22.102 12.761 10.703) 27.675 38.640 ( 41.977 24.236 -24.018) 54.096 ======================= Grid point 1674 (401/417) ======================= q-point: ( 0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 11.751 6.784 3.284) 13.961 1.177 ( 22.426 12.948 0.177) 25.896 1.616 ( 12.925 7.462 -0.149) 14.925 1.719 ( 34.120 19.699 0.093) 39.398 2.134 ( 26.817 15.483 0.357) 30.967 2.683 ( 0.343 0.198 -2.611) 2.641 3.716 ( 0.754 0.435 -0.413) 0.964 3.795 ( 0.315 0.182 0.361) 0.512 4.013 ( 10.638 6.142 -3.136) 12.677 4.123 ( 10.330 5.964 2.258) 12.140 5.636 ( -5.132 -2.963 5.047) 7.784 5.876 ( -7.050 -4.070 -3.184) 8.741 17.240 ( -13.590 -7.846 -1.348) 15.750 20.727 ( -12.687 -7.325 -0.845) 14.674 20.895 ( 11.462 6.617 0.097) 13.235 24.519 ( 17.005 9.818 0.020) 19.636 24.815 ( 27.032 15.607 -2.728) 31.332 26.161 ( 76.875 44.384 -8.638) 89.187 35.218 ( -31.964 -18.455 2.691) 37.007 35.497 ( -3.992 -2.305 0.697) 4.662 37.567 ( -1.975 -1.140 0.002) 2.280 37.927 ( -1.606 -0.927 -0.121) 1.859 38.508 ( 13.437 7.758 6.631) 16.873 39.448 ( 31.113 17.963 -13.887) 38.517 ======================= Grid point 1675 (402/417) ======================= q-point: ( 0.56 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 14.768 8.526 0.490) 17.059 1.651 ( 19.608 11.321 -0.361) 22.644 1.921 ( 13.806 7.971 0.405) 15.947 2.425 ( 28.122 16.236 -0.828) 32.483 2.649 ( 9.691 5.595 1.069) 11.241 2.784 ( 18.105 10.453 -0.797) 20.921 3.732 ( 0.843 0.486 -0.897) 1.323 3.807 ( 0.584 0.337 0.782) 1.033 4.248 ( 10.345 5.973 -3.096) 12.340 4.376 ( 12.026 6.943 2.533) 14.116 5.528 ( -5.202 -3.003 3.309) 6.858 5.701 ( -8.067 -4.658 -2.304) 9.596 16.910 ( -15.242 -8.800 -1.369) 17.653 20.404 ( -15.713 -9.072 0.826) 18.163 21.188 ( 14.210 8.204 -0.043) 16.409 24.959 ( 21.696 12.526 0.014) 25.053 25.390 ( 24.158 13.948 -1.217) 27.922 27.331 ( 33.301 19.227 -1.522) 38.483 34.653 ( -19.713 -11.381 0.484) 22.767 35.389 ( -5.701 -3.292 0.535) 6.605 37.516 ( -2.438 -1.408 0.047) 2.816 37.888 ( -1.729 -0.998 -0.142) 2.001 38.748 ( 7.955 4.593 1.760) 9.352 39.917 ( 12.522 7.229 -3.643) 14.911 ======================= Grid point 1676 (403/417) ======================= q-point: ( 0.62 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 15.728 9.081 -1.032) 18.191 2.048 ( 15.868 9.161 -0.692) 18.336 2.220 ( 12.536 7.238 0.770) 14.496 2.720 ( 3.930 2.269 0.554) 4.571 3.014 ( 21.563 12.450 -0.808) 24.912 3.271 ( 20.347 11.747 0.994) 23.515 3.750 ( 0.914 0.528 -0.898) 1.385 3.823 ( 0.710 0.410 0.759) 1.117 4.447 ( 7.582 4.377 -1.699) 8.918 4.671 ( 13.697 7.908 1.448) 15.882 5.429 ( -3.647 -2.106 1.086) 4.349 5.506 ( -9.005 -5.199 -0.808) 10.430 16.564 ( -15.170 -8.758 -0.854) 17.537 20.043 ( -16.264 -9.390 0.704) 18.793 21.513 ( 14.424 8.328 -0.154) 16.656 25.465 ( 22.800 13.164 -0.008) 26.327 25.868 ( 18.384 10.614 -0.857) 21.245 27.813 ( 12.419 7.170 0.078) 14.340 34.303 ( -12.104 -6.988 -0.059) 13.977 35.248 ( -6.813 -3.934 0.411) 7.878 37.461 ( -2.437 -1.407 0.079) 2.815 37.853 ( -1.371 -0.791 -0.141) 1.589 38.893 ( 5.132 2.963 -0.059) 5.927 40.034 ( -0.548 -0.316 -0.248) 0.680 ======================= Grid point 1690 (404/417) ======================= q-point: ( 0.44 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -0.000 25.814 1.794) 25.877 0.717 ( 0.000 4.459 6.434) 7.828 0.929 ( -0.000 41.275 0.463) 41.278 1.374 ( -0.000 9.959 -1.194) 10.030 1.561 ( -0.000 25.637 -0.007) 25.637 2.689 ( -0.000 -0.539 -3.435) 3.477 3.694 ( 0.000 0.247 0.840) 0.875 3.793 ( -0.000 8.055 -0.592) 8.077 3.797 ( -0.000 0.376 -0.718) 0.810 3.918 ( -0.000 11.484 -1.158) 11.542 5.747 ( 0.000 -5.056 4.213) 6.581 6.027 ( 0.000 -7.714 -1.888) 7.942 17.499 ( 0.000 -11.131 -0.341) 11.136 20.691 ( -0.000 7.385 0.246) 7.389 20.922 ( -0.000 -3.095 -4.967) 5.852 23.495 ( -0.000 144.511 -13.461) 145.136 24.220 ( -0.000 10.791 0.006) 10.791 24.433 ( -0.000 40.607 -4.179) 40.822 35.565 ( 0.000 -2.576 0.764) 2.687 36.122 ( 0.000 -55.337 5.275) 55.587 37.602 ( 0.000 -1.251 -0.100) 1.255 37.955 ( 0.000 -1.164 0.052) 1.165 38.119 ( -0.000 25.807 9.526) 27.509 38.587 ( -0.000 48.046 -20.522) 52.245 ======================= Grid point 1691 (405/417) ======================= q-point: ( 0.50 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 5.874 9.679 3.423) 11.829 1.050 ( 13.900 23.420 0.677) 27.243 1.485 ( 16.432 28.772 -0.145) 33.134 1.572 ( 10.568 18.759 -0.348) 21.534 1.966 ( 15.282 26.367 0.188) 30.476 2.677 ( -0.054 -0.042 -2.262) 2.263 3.714 ( 1.028 0.827 0.414) 1.383 3.786 ( -0.067 0.680 -0.425) 0.805 3.956 ( 6.776 9.564 -0.663) 11.739 4.063 ( 4.343 10.300 -0.372) 11.185 5.677 ( -2.966 -5.054 4.264) 7.247 5.911 ( -3.945 -6.936 -2.677) 8.417 17.312 ( -7.387 -13.201 -0.615) 15.139 20.793 ( -6.160 -10.849 -1.231) 12.537 20.849 ( 6.967 11.952 0.109) 13.834 24.251 ( 8.489 13.674 -0.793) 16.114 24.781 ( 17.342 26.784 0.534) 31.913 25.644 ( 52.982 95.326 -10.359) 109.551 35.429 ( -20.572 -36.205 3.013) 41.750 35.521 ( -2.708 -3.848 0.047) 4.705 37.583 ( -0.825 -1.359 -0.056) 1.591 37.934 ( -0.765 -1.462 0.027) 1.651 38.437 ( 8.332 14.704 6.492) 18.105 39.215 ( 21.256 36.997 -13.487) 44.749 ======================= Grid point 1692 (406/417) ======================= q-point: ( 0.56 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 10.582 11.652 0.858) 15.763 1.514 ( 15.144 20.315 -0.088) 25.339 1.829 ( 10.316 13.879 0.085) 17.293 2.178 ( 23.236 25.571 -0.312) 34.553 2.510 ( 19.053 21.700 0.896) 28.892 2.691 ( 2.377 1.787 -1.278) 3.237 3.738 ( 0.233 1.937 -0.470) 2.007 3.801 ( 0.943 0.587 0.398) 1.180 4.179 ( 7.183 11.305 -2.590) 13.642 4.260 ( 9.292 6.849 2.200) 11.751 5.575 ( -4.099 -4.841 2.698) 6.893 5.759 ( -5.731 -6.626 -1.907) 8.966 17.018 ( -11.127 -13.969 -0.866) 17.879 20.526 ( -11.102 -12.844 0.325) 16.980 21.132 ( 9.236 17.051 0.004) 19.391 24.585 ( 20.953 4.667 -0.286) 21.469 25.320 ( 15.102 28.049 -0.561) 31.861 27.042 ( 34.372 42.701 -1.914) 54.849 34.826 ( -17.846 -20.517 0.592) 27.199 35.430 ( -3.868 -4.781 0.345) 6.159 37.549 ( -1.970 -0.712 0.014) 2.095 37.904 ( -1.192 -1.125 -0.068) 1.641 38.676 ( 6.938 7.069 1.896) 10.084 39.780 ( 14.714 16.675 -3.859) 22.571 ======================= Grid point 1693 (407/417) ======================= q-point: ( 0.62 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 13.007 11.795 -0.661) 17.571 1.936 ( 13.006 17.489 -0.535) 21.802 2.133 ( 9.953 12.977 0.567) 16.364 2.685 ( 6.332 6.589 0.157) 9.140 2.805 ( 17.051 15.057 -0.015) 22.748 3.059 ( 19.871 15.759 0.308) 25.363 3.760 ( -0.059 2.732 -0.810) 2.850 3.827 ( 0.712 1.596 0.716) 1.889 4.382 ( 6.200 8.207 -2.157) 10.510 4.524 ( 12.888 7.477 2.095) 15.047 5.465 ( -3.911 -4.139 0.597) 5.726 5.582 ( -7.155 -6.911 -0.467) 9.959 16.681 ( -12.244 -14.067 -0.486) 18.655 20.192 ( -13.564 -12.584 0.305) 18.505 21.469 ( 8.819 20.178 -0.086) 22.021 25.023 ( 27.940 -0.502 -0.179) 27.945 25.805 ( 12.855 22.513 -0.520) 25.930 27.725 ( 14.323 20.172 -0.007) 24.740 34.422 ( -12.290 -11.771 0.026) 17.017 35.301 ( -5.231 -5.860 0.291) 7.860 37.506 ( -2.846 0.381 0.073) 2.872 37.875 ( -1.463 -0.110 -0.126) 1.472 38.829 ( 5.434 3.229 -0.029) 6.321 40.011 ( 3.468 2.155 -0.204) 4.088 ======================= Grid point 1708 (408/417) ======================= q-point: ( 0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -0.000 12.888 2.598) 13.148 1.172 ( -0.000 25.768 0.967) 25.786 1.621 ( -0.000 15.097 -0.949) 15.127 1.720 ( -0.000 39.148 -0.077) 39.148 2.136 ( -0.000 31.480 0.124) 31.481 2.675 ( -0.000 0.494 -1.463) 1.544 3.707 ( 0.000 0.666 0.921) 1.137 3.803 ( -0.000 0.538 -0.781) 0.948 3.987 ( -0.000 11.563 1.196) 11.624 4.151 ( -0.000 12.656 -2.397) 12.881 5.654 ( 0.000 -6.111 3.018) 6.815 5.864 ( 0.000 -8.108 -1.970) 8.344 17.232 ( 0.000 -15.761 -0.168) 15.762 20.723 ( 0.000 -14.104 -0.173) 14.105 20.895 ( -0.000 13.202 0.140) 13.203 24.520 ( -0.000 19.633 0.014) 19.633 24.780 ( -0.000 33.160 2.545) 33.257 26.154 ( -0.000 88.615 -7.237) 88.910 35.226 ( 0.000 -37.099 1.454) 37.127 35.502 ( 0.000 -4.835 -0.159) 4.837 37.567 ( 0.000 -2.261 -0.103) 2.263 37.925 ( 0.000 -1.882 0.138) 1.887 38.530 ( -0.000 14.156 3.679) 14.627 39.408 ( -0.000 38.200 -7.978) 39.024 ======================= Grid point 1709 (409/417) ======================= q-point: ( 0.56 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 5.013 14.758 1.171) 15.630 1.513 ( 10.211 23.171 0.540) 25.327 1.831 ( 6.655 15.987 -0.589) 17.327 2.178 ( 10.533 32.805 -0.040) 34.455 2.514 ( 9.181 28.009 -0.378) 29.478 2.688 ( 0.345 2.557 -0.307) 2.599 3.734 ( 1.809 1.026 0.724) 2.202 3.804 ( -0.174 1.243 -0.658) 1.417 4.165 ( 6.521 11.342 1.830) 13.210 4.274 ( 0.832 12.018 -2.370) 12.278 5.579 ( -2.141 -6.098 1.547) 6.645 5.756 ( -2.850 -8.200 -1.040) 8.744 17.016 ( -6.451 -16.634 -0.217) 17.843 20.526 ( -5.503 -15.984 0.291) 16.908 21.132 ( 10.170 16.508 0.067) 19.389 24.584 ( -6.354 20.499 0.165) 21.461 25.316 ( 17.194 27.124 0.709) 32.123 27.041 ( 19.568 51.275 -1.651) 54.907 34.827 ( -8.885 -25.774 0.249) 27.263 35.431 ( -2.291 -5.717 -0.059) 6.160 37.549 ( 0.344 -2.048 -0.072) 2.078 37.904 ( -0.331 -1.617 0.108) 1.654 38.678 ( 2.683 9.293 1.259) 9.755 39.776 ( 7.008 21.501 -2.512) 22.753 ======================= Grid point 1710 (410/417) ======================= q-point: ( 0.62 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 8.553 14.815 -0.000) 17.107 1.919 ( 11.900 20.612 -0.000) 23.801 2.118 ( 8.699 15.067 -0.000) 17.397 2.641 ( 10.243 17.741 -0.000) 20.485 2.757 ( 5.739 9.941 -0.000) 11.479 2.956 ( 12.824 22.213 -0.000) 25.649 3.781 ( 1.411 2.444 -0.000) 2.822 3.826 ( 1.145 1.983 -0.000) 2.290 4.399 ( 4.395 7.613 0.000) 8.791 4.416 ( 7.430 12.869 -0.000) 14.860 5.479 ( -3.102 -5.373 -0.000) 6.204 5.608 ( -4.883 -8.457 -0.000) 9.765 16.713 ( -9.730 -16.852 -0.000) 19.460 20.246 ( -9.053 -15.680 -0.000) 18.106 21.515 ( 12.333 21.362 -0.000) 24.667 24.749 ( 6.827 11.825 -0.000) 13.654 25.808 ( 12.648 21.908 -0.000) 25.297 27.706 ( 14.982 25.950 -0.000) 29.964 34.471 ( -9.124 -15.803 -0.000) 18.248 35.316 ( -3.995 -6.919 -0.000) 7.990 37.537 ( -0.285 -0.493 -0.000) 0.570 37.888 ( -0.268 -0.465 -0.000) 0.536 38.795 ( 2.849 4.934 -0.000) 5.697 39.987 ( 2.842 4.923 -0.000) 5.685 ======================= Grid point 1726 (411/417) ======================= q-point: ( 0.56 0.56 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -0.000 16.729 1.091) 16.765 1.647 ( -0.000 22.581 0.730) 22.593 1.924 ( -0.000 16.015 -0.804) 16.035 2.422 ( -0.000 32.217 0.263) 32.218 2.658 ( -0.000 10.499 -1.904) 10.671 2.779 ( -0.000 22.117 0.982) 22.139 3.727 ( 0.000 0.943 0.957) 1.344 3.812 ( -0.000 0.697 -0.809) 1.068 4.231 ( -0.000 12.107 2.432) 12.349 4.392 ( -0.000 13.690 -2.820) 13.978 5.538 ( 0.000 -6.305 0.356) 6.315 5.694 ( 0.000 -9.108 -0.163) 9.109 16.905 ( 0.000 -17.570 0.204) 17.572 20.406 ( 0.000 -18.018 0.158) 18.019 21.187 ( -0.000 16.385 0.099) 16.386 24.959 ( -0.000 25.049 0.017) 25.049 25.382 ( -0.000 28.147 1.268) 28.176 27.328 ( -0.000 38.769 -0.589) 38.774 34.655 ( 0.000 -22.920 -0.053) 22.920 35.391 ( 0.000 -6.594 -0.291) 6.601 37.517 ( 0.000 -2.809 -0.098) 2.811 37.887 ( 0.000 -1.998 0.177) 2.006 38.752 ( -0.000 8.765 0.499) 8.779 39.908 ( -0.000 15.212 -0.760) 15.231 ======================= Grid point 1958 (412/417) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( 0.000 -0.000 2.214) 2.214 0.319 ( 0.000 -0.000 2.214) 2.214 0.716 ( 0.000 -0.000 5.814) 5.814 1.269 ( -0.000 0.000 -0.769) 0.769 1.269 ( -0.000 0.000 -0.769) 0.769 2.689 ( -0.000 0.000 -2.883) 2.883 3.695 ( 0.000 -0.000 0.426) 0.426 3.695 ( 0.000 -0.000 0.426) 0.426 3.791 ( -0.000 0.000 -0.372) 0.372 3.791 ( -0.000 0.000 -0.372) 0.372 5.808 ( 0.000 -0.000 1.039) 1.039 6.131 ( -0.000 0.000 -0.122) 0.122 17.620 ( -0.000 0.000 -2.254) 2.254 20.618 ( 0.000 -0.000 0.185) 0.185 20.618 ( 0.000 -0.000 0.185) 0.185 21.606 ( 0.000 -0.000 2.889) 2.889 24.113 ( 0.000 -0.000 0.002) 0.002 24.113 ( 0.000 -0.000 0.002) 0.002 35.592 ( 0.000 -0.000 0.554) 0.554 37.047 ( -0.000 0.000 -0.535) 0.535 37.614 ( -0.000 0.000 -0.052) 0.052 37.614 ( -0.000 0.000 -0.052) 0.052 37.967 ( -0.000 0.000 -0.017) 0.017 37.967 ( -0.000 0.000 -0.017) 0.017 ======================= Grid point 1959 (413/417) ======================= q-point: ( 0.50 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 22.288 12.868 0.217) 25.737 0.737 ( 3.905 2.254 3.290) 5.582 0.929 ( 35.494 20.493 0.431) 40.987 1.367 ( 8.484 4.898 -0.125) 9.798 1.563 ( 22.321 12.887 -0.347) 25.777 2.678 ( -0.412 -0.238 -1.805) 1.867 3.701 ( 0.417 0.241 -0.198) 0.521 3.791 ( 0.152 0.088 0.169) 0.244 3.795 ( 7.661 4.423 -1.000) 8.903 3.908 ( 8.911 5.145 0.596) 10.307 5.760 ( -3.990 -2.303 2.461) 5.223 6.021 ( -7.039 -4.064 -1.238) 8.222 17.501 ( -9.366 -5.407 -0.564) 10.829 20.692 ( 6.405 3.698 0.082) 7.397 20.909 ( -1.844 -1.065 -2.932) 3.624 23.476 ( 130.278 75.216 -10.441) 150.794 24.220 ( 9.347 5.396 0.006) 10.793 24.400 ( 28.662 16.548 1.751) 33.142 35.568 ( -2.150 -1.241 0.360) 2.508 36.137 ( -48.191 -27.823 2.675) 55.710 37.602 ( -1.103 -0.637 0.003) 1.273 37.956 ( -0.968 -0.559 -0.084) 1.120 38.145 ( 22.840 13.187 7.448) 27.405 38.526 ( 40.411 23.332 -12.450) 48.295 ======================= Grid point 1960 (414/417) ======================= q-point: ( 0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 11.223 6.480 0.415) 12.966 1.177 ( 22.330 12.892 -0.437) 25.788 1.617 ( 13.024 7.519 0.443) 15.045 1.719 ( 33.951 19.602 0.063) 39.203 2.136 ( 27.078 15.633 0.180) 31.267 2.673 ( 0.489 0.283 -0.688) 0.890 3.712 ( 0.638 0.368 -0.755) 1.055 3.798 ( 0.416 0.240 0.651) 0.809 3.997 ( 10.331 5.965 -2.158) 12.123 4.137 ( 10.667 6.159 2.328) 12.536 5.658 ( -5.261 -3.037 1.670) 6.300 5.861 ( -7.041 -4.065 -1.206) 8.219 17.234 ( -13.699 -7.909 -0.633) 15.830 20.723 ( -12.127 -7.001 -0.390) 14.008 20.896 ( 11.439 6.604 -0.023) 13.209 24.520 ( 17.006 9.818 0.003) 19.636 24.797 ( 27.987 16.158 -2.951) 32.451 26.133 ( 77.942 45.000 -0.527) 90.002 35.228 ( -32.413 -18.714 0.632) 37.433 35.500 ( -4.058 -2.343 0.472) 4.710 37.567 ( -1.966 -1.135 0.056) 2.271 37.926 ( -1.615 -0.933 -0.140) 1.871 38.536 ( 12.251 7.073 1.936) 14.278 39.393 ( 33.314 19.234 -3.476) 38.624 ======================= Grid point 1976 (415/417) ======================= q-point: ( 0.50 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -0.000 25.641 0.860) 25.655 0.742 ( 0.000 4.088 1.680) 4.419 0.931 ( -0.000 41.121 0.020) 41.121 1.368 ( -0.000 9.904 -0.590) 9.921 1.562 ( -0.000 25.799 0.190) 25.800 2.675 ( -0.000 -0.439 -0.943) 1.040 3.699 ( 0.000 0.340 0.591) 0.682 3.791 ( -0.000 8.367 0.165) 8.368 3.793 ( -0.000 0.299 -0.510) 0.591 3.912 ( -0.000 10.886 -0.840) 10.918 5.764 ( 0.000 -4.423 1.181) 4.578 6.019 ( 0.000 -8.302 -0.595) 8.323 17.499 ( 0.000 -10.891 0.087) 10.891 20.692 ( -0.000 7.384 0.089) 7.385 20.903 ( -0.000 -1.924 -1.112) 2.222 23.449 ( -0.000 146.994 -1.472) 147.001 24.220 ( -0.000 10.793 -0.000) 10.793 24.413 ( -0.000 35.731 -2.616) 35.826 35.568 ( 0.000 -2.518 0.218) 2.528 36.141 ( 0.000 -55.524 1.258) 55.538 37.602 ( 0.000 -1.261 -0.056) 1.263 37.956 ( 0.000 -1.140 0.074) 1.142 38.161 ( -0.000 26.337 2.816) 26.487 38.503 ( -0.000 46.629 -5.726) 46.979 ======================= Grid point 1977 (416/417) ======================= q-point: ( 0.56 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 5.517 9.555 -0.000) 11.033 1.052 ( 13.585 23.531 -0.000) 27.171 1.485 ( 16.405 28.414 -0.000) 32.810 1.571 ( 10.899 18.878 -0.000) 21.798 1.967 ( 15.272 26.452 -0.000) 30.544 2.670 ( 0.020 0.035 -0.000) 0.040 3.715 ( 0.614 1.064 -0.000) 1.228 3.784 ( 0.280 0.484 -0.000) 0.559 3.954 ( 5.867 10.162 -0.000) 11.734 4.062 ( 5.530 9.578 -0.000) 11.059 5.691 ( -2.918 -5.054 -0.000) 5.836 5.902 ( -4.036 -6.991 -0.000) 8.073 17.310 ( -7.608 -13.177 -0.000) 15.216 20.789 ( -6.021 -10.429 -0.000) 12.042 20.850 ( 6.931 12.005 -0.000) 13.862 24.248 ( 8.208 14.216 -0.000) 16.416 24.783 ( 15.877 27.500 -0.000) 31.755 25.613 ( 55.162 95.544 -0.000) 110.325 35.439 ( -21.308 -36.907 -0.000) 42.616 35.521 ( -2.067 -3.580 -0.000) 4.134 37.583 ( -0.795 -1.377 -0.000) 1.590 37.934 ( -0.823 -1.426 -0.000) 1.647 38.458 ( 8.012 13.878 -0.000) 16.024 39.172 ( 22.095 38.269 -0.000) 44.189 ======================= Grid point 2249 (417/417) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.326 ( 0.000 -0.000 0.000) 0.000 0.326 ( 0.000 -0.000 0.000) 0.000 0.734 ( 0.000 -0.000 0.000) 0.000 1.266 ( 0.000 -0.000 0.000) 0.000 1.266 ( 0.000 -0.000 0.000) 0.000 2.680 ( 0.000 -0.000 0.000) 0.000 3.696 ( 0.000 -0.000 0.000) 0.000 3.696 ( 0.000 -0.000 0.000) 0.000 3.790 ( -0.000 0.000 -0.000) 0.000 3.790 ( -0.000 0.000 -0.000) 0.000 5.812 ( 0.000 -0.000 0.000) 0.000 6.131 ( 0.000 -0.000 0.000) 0.000 17.613 ( 0.000 -0.000 0.000) 0.000 20.619 ( 0.000 -0.000 0.000) 0.000 20.619 ( 0.000 -0.000 0.000) 0.000 21.615 ( 0.000 -0.000 0.000) 0.000 24.113 ( 0.000 -0.000 0.000) 0.000 24.113 ( 0.000 -0.000 0.000) 0.000 35.593 ( 0.000 -0.000 0.000) 0.000 37.045 ( 0.000 -0.000 0.000) 0.000 37.614 ( 0.000 -0.000 0.000) 0.000 37.614 ( 0.000 -0.000 0.000) 0.000 37.967 ( 0.000 -0.000 0.000) 0.000 37.967 ( 0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/98304 10.0 858.293 858.293 27.844 0.000 -0.000 -0.000 3/98304 20.0 615.760 615.760 14.084 0.000 -0.000 -0.000 3/98304 30.0 376.485 376.485 8.340 0.000 -0.000 -0.000 3/98304 40.0 248.968 248.968 5.711 0.000 -0.000 -0.000 3/98304 50.0 183.046 183.046 4.345 0.000 -0.000 -0.000 3/98304 60.0 145.149 145.149 3.532 0.000 -0.000 -0.000 3/98304 70.0 120.904 120.904 2.994 0.000 -0.000 -0.000 3/98304 80.0 104.052 104.052 2.609 0.000 -0.000 -0.000 3/98304 90.0 91.592 91.592 2.319 0.000 -0.000 -0.000 3/98304 100.0 81.937 81.937 2.090 0.000 -0.000 -0.000 3/98304 110.0 74.175 74.175 1.904 0.000 -0.000 -0.000 3/98304 120.0 67.746 67.746 1.749 0.000 -0.000 -0.000 3/98304 130.0 62.290 62.290 1.617 0.000 -0.000 -0.000 3/98304 140.0 57.566 57.566 1.504 0.000 -0.000 -0.000 3/98304 150.0 53.412 53.412 1.405 0.000 -0.000 -0.000 3/98304 160.0 49.713 49.713 1.317 0.000 -0.000 -0.000 3/98304 170.0 46.392 46.392 1.239 0.000 -0.000 -0.000 3/98304 180.0 43.390 43.390 1.168 0.000 -0.000 -0.000 3/98304 190.0 40.664 40.664 1.105 0.000 -0.000 -0.000 3/98304 200.0 38.182 38.182 1.047 0.000 -0.000 -0.000 3/98304 210.0 35.917 35.917 0.995 0.000 -0.000 -0.000 3/98304 220.0 33.846 33.846 0.947 0.000 -0.000 -0.000 3/98304 230.0 31.951 31.951 0.903 0.000 -0.000 -0.000 3/98304 240.0 30.214 30.214 0.863 0.000 -0.000 -0.000 3/98304 250.0 28.622 28.622 0.826 0.000 -0.000 -0.000 3/98304 260.0 27.159 27.159 0.792 0.000 -0.000 -0.000 3/98304 270.0 25.814 25.814 0.760 0.000 -0.000 -0.000 3/98304 280.0 24.576 24.576 0.731 0.000 -0.000 -0.000 3/98304 290.0 23.434 23.434 0.704 0.000 -0.000 -0.000 3/98304 300.0 22.381 22.381 0.678 0.000 -0.000 -0.000 3/98304 310.0 21.406 21.406 0.655 0.000 -0.000 -0.000 3/98304 320.0 20.504 20.504 0.633 0.000 -0.000 -0.000 3/98304 330.0 19.667 19.667 0.612 0.000 -0.000 -0.000 3/98304 340.0 18.890 18.890 0.593 0.000 -0.000 -0.000 3/98304 350.0 18.166 18.166 0.575 0.000 -0.000 -0.000 3/98304 360.0 17.492 17.492 0.558 0.000 -0.000 -0.000 3/98304 370.0 16.863 16.863 0.542 0.000 -0.000 -0.000 3/98304 380.0 16.274 16.274 0.526 0.000 -0.000 -0.000 3/98304 390.0 15.723 15.723 0.512 0.000 -0.000 -0.000 3/98304 400.0 15.206 15.206 0.498 0.000 -0.000 -0.000 3/98304 410.0 14.721 14.721 0.486 0.000 -0.000 -0.000 3/98304 420.0 14.265 14.265 0.473 0.000 -0.000 -0.000 3/98304 430.0 13.835 13.835 0.462 0.000 -0.000 -0.000 3/98304 440.0 13.429 13.429 0.451 0.000 -0.000 -0.000 3/98304 450.0 13.046 13.046 0.440 0.000 -0.000 -0.000 3/98304 460.0 12.684 12.684 0.430 0.000 -0.000 -0.000 3/98304 470.0 12.341 12.341 0.420 0.000 -0.000 -0.000 3/98304 480.0 12.016 12.016 0.411 0.000 -0.000 -0.000 3/98304 490.0 11.708 11.708 0.403 0.000 -0.000 -0.000 3/98304 500.0 11.415 11.415 0.394 0.000 -0.000 -0.000 3/98304 510.0 11.136 11.136 0.386 0.000 -0.000 -0.000 3/98304 520.0 10.870 10.870 0.378 0.000 -0.000 -0.000 3/98304 530.0 10.617 10.617 0.371 0.000 -0.000 -0.000 3/98304 540.0 10.375 10.375 0.364 0.000 -0.000 -0.000 3/98304 550.0 10.144 10.144 0.357 0.000 -0.000 -0.000 3/98304 560.0 9.924 9.924 0.350 0.000 -0.000 -0.000 3/98304 570.0 9.713 9.713 0.344 0.000 -0.000 -0.000 3/98304 580.0 9.510 9.510 0.338 0.000 -0.000 -0.000 3/98304 590.0 9.316 9.316 0.332 0.000 -0.000 -0.000 3/98304 600.0 9.130 9.130 0.326 0.000 -0.000 -0.000 3/98304 610.0 8.952 8.952 0.321 0.000 -0.000 -0.000 3/98304 620.0 8.780 8.780 0.316 0.000 -0.000 -0.000 3/98304 630.0 8.615 8.615 0.310 0.000 -0.000 -0.000 3/98304 640.0 8.456 8.456 0.305 0.000 -0.000 -0.000 3/98304 650.0 8.303 8.303 0.301 0.000 -0.000 -0.000 3/98304 660.0 8.156 8.156 0.296 0.000 -0.000 -0.000 3/98304 670.0 8.014 8.014 0.292 0.000 -0.000 -0.000 3/98304 680.0 7.876 7.876 0.287 0.000 -0.000 -0.000 3/98304 690.0 7.744 7.744 0.283 0.000 -0.000 -0.000 3/98304 700.0 7.616 7.616 0.279 0.000 -0.000 -0.000 3/98304 710.0 7.492 7.492 0.275 0.000 -0.000 -0.000 3/98304 720.0 7.373 7.373 0.271 0.000 -0.000 -0.000 3/98304 730.0 7.257 7.257 0.267 0.000 -0.000 -0.000 3/98304 740.0 7.145 7.145 0.263 0.000 -0.000 -0.000 3/98304 750.0 7.036 7.036 0.260 0.000 -0.000 -0.000 3/98304 760.0 6.931 6.931 0.256 0.000 -0.000 -0.000 3/98304 770.0 6.829 6.829 0.253 0.000 -0.000 -0.000 3/98304 780.0 6.730 6.730 0.250 0.000 -0.000 -0.000 3/98304 790.0 6.634 6.634 0.247 0.000 -0.000 -0.000 3/98304 800.0 6.541 6.541 0.243 0.000 -0.000 -0.000 3/98304 810.0 6.450 6.450 0.240 0.000 -0.000 -0.000 3/98304 820.0 6.362 6.362 0.237 0.000 -0.000 -0.000 3/98304 830.0 6.276 6.276 0.235 0.000 -0.000 -0.000 3/98304 840.0 6.193 6.193 0.232 0.000 -0.000 -0.000 3/98304 850.0 6.112 6.112 0.229 0.000 -0.000 -0.000 3/98304 860.0 6.033 6.033 0.226 0.000 -0.000 -0.000 3/98304 870.0 5.956 5.956 0.224 0.000 -0.000 -0.000 3/98304 880.0 5.881 5.881 0.221 0.000 -0.000 -0.000 3/98304 890.0 5.808 5.808 0.219 0.000 -0.000 -0.000 3/98304 900.0 5.737 5.737 0.216 0.000 -0.000 -0.000 3/98304 910.0 5.668 5.668 0.214 0.000 -0.000 -0.000 3/98304 920.0 5.600 5.600 0.211 0.000 -0.000 -0.000 3/98304 930.0 5.534 5.534 0.209 0.000 -0.000 -0.000 3/98304 940.0 5.469 5.469 0.207 0.000 -0.000 -0.000 3/98304 950.0 5.407 5.407 0.205 0.000 -0.000 -0.000 3/98304 960.0 5.345 5.345 0.202 0.000 -0.000 -0.000 3/98304 970.0 5.285 5.285 0.200 0.000 -0.000 -0.000 3/98304 980.0 5.226 5.226 0.198 0.000 -0.000 -0.000 3/98304 990.0 5.169 5.169 0.196 0.000 -0.000 -0.000 3/98304 1000.0 5.113 5.113 0.194 0.000 -0.000 -0.000 3/98304 Thermal conductivity related properties were written into "kappa-m161616.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:04:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|