----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:40:19]------------------------- 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 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmmm (65) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.339069225000001 -4.746516845000000 0.000000000000000 b 3.339069225000001 4.746516845000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.369344819999999 Atomic positions (fractional): *1 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 *2 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 3 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 *4 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 *5 O 0.25373637901888 0.74626362098112 0.00000000000000 15.999 *6 O 0.74624937992435 0.74624937992435 0.50000000000000 15.999 7 O 0.25375062007565 0.25375062007565 0.50000000000000 15.999 8 O 0.74626362098112 0.25373637901888 0.00000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.678138450000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.493033690000001 0.000000000000000 c 0.000000000000000 0.000000000000000 3.369344819999999 Atomic positions (fractional): *1 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 1 *2 Ca 0.75000000000000 0.75000000000000 0.50000000000000 40.078 > 2 3 Ca 0.75000000000000 0.25000000000000 0.50000000000000 40.078 > 3 4 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 1 5 Ca 0.25000000000000 0.25000000000000 0.50000000000000 40.078 > 2 6 Ca 0.25000000000000 0.75000000000000 0.50000000000000 40.078 > 3 *7 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 4 8 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 > 4 *9 O 0.50000000000000 0.24626362098112 0.00000000000000 15.999 > 5 *10 O 0.74624937992435 0.00000000000000 0.50000000000000 15.999 > 6 11 O 0.25375062007565 0.00000000000000 0.50000000000000 15.999 > 7 12 O 0.50000000000000 0.75373637901888 0.00000000000000 15.999 > 8 13 O 0.00000000000000 0.74626362098112 0.00000000000000 15.999 > 5 14 O 0.24624937992435 0.50000000000000 0.50000000000000 15.999 > 6 15 O 0.75375062007565 0.50000000000000 0.50000000000000 15.999 > 7 16 O 0.00000000000000 0.25373637901888 0.00000000000000 15.999 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.356276900000003 0.000000000000000 0.000000000000000 b 0.000000000000000 9.493033690000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.108034459999997 Atomic positions (fractional): *1 Ca 0.25000000000000 0.00000000000000 0.00000000000000 40.078 > 1 2 Ca 0.75000000000000 0.00000000000000 0.00000000000000 40.078 > 1 3 Ca 0.25000000000000 0.00000000000000 0.33333333333333 40.078 > 1 4 Ca 0.75000000000000 0.00000000000000 0.33333333333333 40.078 > 1 5 Ca 0.25000000000000 0.00000000000000 0.66666666666667 40.078 > 1 6 Ca 0.75000000000000 0.00000000000000 0.66666666666667 40.078 > 1 *7 Ca 0.37500000000000 0.75000000000000 0.16666666666667 40.078 > 2 8 Ca 0.87500000000000 0.75000000000000 0.16666666666667 40.078 > 2 9 Ca 0.37500000000000 0.75000000000000 0.50000000000000 40.078 > 2 10 Ca 0.87500000000000 0.75000000000000 0.50000000000000 40.078 > 2 11 Ca 0.37500000000000 0.75000000000000 0.83333333333333 40.078 > 2 12 Ca 0.87500000000000 0.75000000000000 0.83333333333333 40.078 > 2 13 Ca 0.37500000000000 0.25000000000000 0.16666666666667 40.078 > 3 14 Ca 0.87500000000000 0.25000000000000 0.16666666666667 40.078 > 3 15 Ca 0.37500000000000 0.25000000000000 0.50000000000000 40.078 > 3 16 Ca 0.87500000000000 0.25000000000000 0.50000000000000 40.078 > 3 17 Ca 0.37500000000000 0.25000000000000 0.83333333333333 40.078 > 3 18 Ca 0.87500000000000 0.25000000000000 0.83333333333333 40.078 > 3 19 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 1 20 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 1 21 Ca 0.00000000000000 0.50000000000000 0.33333333333333 40.078 > 1 22 Ca 0.50000000000000 0.50000000000000 0.33333333333333 40.078 > 1 23 Ca 0.00000000000000 0.50000000000000 0.66666666666667 40.078 > 1 24 Ca 0.50000000000000 0.50000000000000 0.66666666666667 40.078 > 1 25 Ca 0.12500000000000 0.25000000000000 0.16666666666667 40.078 > 2 26 Ca 0.62500000000000 0.25000000000000 0.16666666666667 40.078 > 2 27 Ca 0.12500000000000 0.25000000000000 0.50000000000000 40.078 > 2 28 Ca 0.62500000000000 0.25000000000000 0.50000000000000 40.078 > 2 29 Ca 0.12500000000000 0.25000000000000 0.83333333333333 40.078 > 2 30 Ca 0.62500000000000 0.25000000000000 0.83333333333333 40.078 > 2 31 Ca 0.12500000000000 0.75000000000000 0.16666666666667 40.078 > 3 32 Ca 0.62500000000000 0.75000000000000 0.16666666666667 40.078 > 3 33 Ca 0.12500000000000 0.75000000000000 0.50000000000000 40.078 > 3 34 Ca 0.62500000000000 0.75000000000000 0.50000000000000 40.078 > 3 35 Ca 0.12500000000000 0.75000000000000 0.83333333333333 40.078 > 3 36 Ca 0.62500000000000 0.75000000000000 0.83333333333333 40.078 > 3 *37 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 4 38 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 4 39 Cd 0.00000000000000 0.00000000000000 0.33333333333333 112.411 > 4 40 Cd 0.50000000000000 0.00000000000000 0.33333333333333 112.411 > 4 41 Cd 0.00000000000000 0.00000000000000 0.66666666666667 112.411 > 4 42 Cd 0.50000000000000 0.00000000000000 0.66666666666667 112.411 > 4 43 Cd 0.25000000000000 0.50000000000000 0.00000000000000 112.411 > 4 44 Cd 0.75000000000000 0.50000000000000 0.00000000000000 112.411 > 4 45 Cd 0.25000000000000 0.50000000000000 0.33333333333333 112.411 > 4 46 Cd 0.75000000000000 0.50000000000000 0.33333333333333 112.411 > 4 47 Cd 0.25000000000000 0.50000000000000 0.66666666666667 112.411 > 4 48 Cd 0.75000000000000 0.50000000000000 0.66666666666667 112.411 > 4 *49 O 0.25000000000000 0.24626362098112 0.00000000000000 15.999 > 5 50 O 0.75000000000000 0.24626362098112 0.00000000000000 15.999 > 5 51 O 0.25000000000000 0.24626362098112 0.33333333333333 15.999 > 5 52 O 0.75000000000000 0.24626362098112 0.33333333333333 15.999 > 5 53 O 0.25000000000000 0.24626362098112 0.66666666666667 15.999 > 5 54 O 0.75000000000000 0.24626362098112 0.66666666666667 15.999 > 5 *55 O 0.37312468996218 0.00000000000000 0.16666666666667 15.999 > 6 56 O 0.87312468996217 0.00000000000000 0.16666666666667 15.999 > 6 57 O 0.37312468996218 0.00000000000000 0.50000000000000 15.999 > 6 58 O 0.87312468996217 0.00000000000000 0.50000000000000 15.999 > 6 59 O 0.37312468996218 0.00000000000000 0.83333333333333 15.999 > 6 60 O 0.87312468996217 0.00000000000000 0.83333333333333 15.999 > 6 61 O 0.12687531003783 0.00000000000000 0.16666666666667 15.999 > 7 62 O 0.62687531003783 0.00000000000000 0.16666666666667 15.999 > 7 63 O 0.12687531003783 0.00000000000000 0.50000000000000 15.999 > 7 64 O 0.62687531003783 0.00000000000000 0.50000000000000 15.999 > 7 65 O 0.12687531003783 0.00000000000000 0.83333333333333 15.999 > 7 66 O 0.62687531003783 0.00000000000000 0.83333333333333 15.999 > 7 67 O 0.25000000000000 0.75373637901888 0.00000000000000 15.999 > 8 68 O 0.75000000000000 0.75373637901888 0.00000000000000 15.999 > 8 69 O 0.25000000000000 0.75373637901888 0.33333333333333 15.999 > 8 70 O 0.75000000000000 0.75373637901888 0.33333333333333 15.999 > 8 71 O 0.25000000000000 0.75373637901888 0.66666666666667 15.999 > 8 72 O 0.75000000000000 0.75373637901888 0.66666666666667 15.999 > 8 73 O 0.00000000000000 0.74626362098112 0.00000000000000 15.999 > 5 74 O 0.50000000000000 0.74626362098112 0.00000000000000 15.999 > 5 75 O 0.00000000000000 0.74626362098112 0.33333333333333 15.999 > 5 76 O 0.50000000000000 0.74626362098112 0.33333333333333 15.999 > 5 77 O 0.00000000000000 0.74626362098112 0.66666666666667 15.999 > 5 78 O 0.50000000000000 0.74626362098112 0.66666666666667 15.999 > 5 79 O 0.12312468996218 0.50000000000000 0.16666666666667 15.999 > 6 80 O 0.62312468996217 0.50000000000000 0.16666666666667 15.999 > 6 81 O 0.12312468996218 0.50000000000000 0.50000000000000 15.999 > 6 82 O 0.62312468996217 0.50000000000000 0.50000000000000 15.999 > 6 83 O 0.12312468996218 0.50000000000000 0.83333333333333 15.999 > 6 84 O 0.62312468996217 0.50000000000000 0.83333333333333 15.999 > 6 85 O 0.37687531003782 0.50000000000000 0.16666666666667 15.999 > 7 86 O 0.87687531003783 0.50000000000000 0.16666666666667 15.999 > 7 87 O 0.37687531003782 0.50000000000000 0.50000000000000 15.999 > 7 88 O 0.87687531003783 0.50000000000000 0.50000000000000 15.999 > 7 89 O 0.37687531003782 0.50000000000000 0.83333333333333 15.999 > 7 90 O 0.87687531003783 0.50000000000000 0.83333333333333 15.999 > 7 91 O 0.00000000000000 0.25373637901888 0.00000000000000 15.999 > 8 92 O 0.50000000000000 0.25373637901888 0.00000000000000 15.999 > 8 93 O 0.00000000000000 0.25373637901888 0.33333333333333 15.999 > 8 94 O 0.50000000000000 0.25373637901888 0.33333333333333 15.999 > 8 95 O 0.00000000000000 0.25373637901888 0.66666666666667 15.999 > 8 96 O 0.50000000000000 0.25373637901888 0.66666666666667 15.999 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2658259 0.0000000 0.0000000 0.0000000 4.2984301 0.0000000 0.0000000 0.0000000 4.3464116 -------------------------- Born effective charges -------------------------- 1 Ca 2.5770988 0.0000000 0.0000000 0.0000000 2.5084351 0.0000000 0.0000000 0.0000000 2.3838276 2 Ca 2.3577312 0.1354085 0.0000000 0.1397653 2.3658122 0.0000000 0.0000000 0.0000000 2.3756822 3 Ca 2.3577312 -0.1354085 0.0000000 -0.1397653 2.3658122 0.0000000 0.0000000 0.0000000 2.3756822 4 Cd 2.1538850 0.0000000 0.0000000 0.0000000 2.2951791 0.0000000 0.0000000 0.0000000 2.4432934 5 O -2.2987894 0.0000000 0.0000000 0.0000000 -2.4842513 0.0000000 0.0000000 0.0000000 -2.3249414 6 O -2.4244337 0.0000000 0.0000000 0.0000000 -2.2833681 0.0000000 0.0000000 0.0000000 -2.4643013 7 O -2.4244337 0.0000000 0.0000000 0.0000000 -2.2833681 0.0000000 0.0000000 0.0000000 -2.4643013 8 O -2.2987894 0.0000000 0.0000000 0.0000000 -2.4842513 0.0000000 0.0000000 0.0000000 -2.3249414 ---------------------------------------------------------------------------- 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: 4326/4326 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 556 Number of blocks in projector: 564 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 8 --- Eigsh_solver_block: 1 / 8 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 2 / 8 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 3 / 8 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 4 / 8 --- Block_size: 88 Use standard eigh solver. --- Eigsh_solver_block: 5 / 8 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 6 / 8 --- Block_size: 52 Use standard eigh solver. --- Eigsh_solver_block: 7 / 8 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 8 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (556, 539), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (52, 52), data: True |-- (66, 66), data: True |-- (88, 86), data: True |-- (116, 111), data: True |-- (116, 111), data: True |-- (116, 111), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 160 - Time: 0.387 Solver_block: 160 / 160 - Time: 0.281 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.681 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 4326/4326 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 556 Number of blocks in projector: 564 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 8 --- Eigsh_solver_block: 1 / 8 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 2 / 8 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 3 / 8 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 4 / 8 --- Block_size: 88 Use standard eigh solver. --- Eigsh_solver_block: 5 / 8 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 6 / 8 --- Block_size: 52 Use standard eigh solver. --- Eigsh_solver_block: 7 / 8 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 8 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (556, 539), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (52, 52), data: True |-- (66, 66), data: True |-- (88, 86), data: True |-- (116, 111), data: True |-- (116, 111), data: True |-- (116, 111), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yx) -0.00000000 (yx) 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 23:40:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:40:26]------------------------- 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 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmmm (65) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.339069225000001 -4.746516845000000 0.000000000000000 b 3.339069225000001 4.746516845000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.369344819999999 Atomic positions (fractional): 1 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 2 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 3 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 4 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 5 O 0.25373637901888 0.74626362098112 0.00000000000000 15.999 6 O 0.74624937992435 0.74624937992435 0.50000000000000 15.999 7 O 0.25375062007565 0.25375062007565 0.50000000000000 15.999 8 O 0.74626362098112 0.25373637901888 0.00000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.356276900000003 0.000000000000000 0.000000000000000 b 0.000000000000000 9.493033690000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.108034459999997 Atomic positions (fractional): 1 Ca 0.25000000000000 0.00000000000000 0.00000000000000 40.078 > 1 2 Ca 0.75000000000000 0.00000000000000 0.00000000000000 40.078 > 1 3 Ca 0.25000000000000 0.00000000000000 0.33333333333333 40.078 > 1 4 Ca 0.75000000000000 0.00000000000000 0.33333333333333 40.078 > 1 5 Ca 0.25000000000000 0.00000000000000 0.66666666666667 40.078 > 1 6 Ca 0.75000000000000 0.00000000000000 0.66666666666667 40.078 > 1 7 Ca 0.37500000000000 0.75000000000000 0.16666666666667 40.078 > 7 8 Ca 0.87500000000000 0.75000000000000 0.16666666666667 40.078 > 7 9 Ca 0.37500000000000 0.75000000000000 0.50000000000000 40.078 > 7 10 Ca 0.87500000000000 0.75000000000000 0.50000000000000 40.078 > 7 11 Ca 0.37500000000000 0.75000000000000 0.83333333333333 40.078 > 7 12 Ca 0.87500000000000 0.75000000000000 0.83333333333333 40.078 > 7 13 Ca 0.37500000000000 0.25000000000000 0.16666666666667 40.078 > 13 14 Ca 0.87500000000000 0.25000000000000 0.16666666666667 40.078 > 13 15 Ca 0.37500000000000 0.25000000000000 0.50000000000000 40.078 > 13 16 Ca 0.87500000000000 0.25000000000000 0.50000000000000 40.078 > 13 17 Ca 0.37500000000000 0.25000000000000 0.83333333333333 40.078 > 13 18 Ca 0.87500000000000 0.25000000000000 0.83333333333333 40.078 > 13 19 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 1 20 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 1 21 Ca 0.00000000000000 0.50000000000000 0.33333333333333 40.078 > 1 22 Ca 0.50000000000000 0.50000000000000 0.33333333333333 40.078 > 1 23 Ca 0.00000000000000 0.50000000000000 0.66666666666667 40.078 > 1 24 Ca 0.50000000000000 0.50000000000000 0.66666666666667 40.078 > 1 25 Ca 0.12500000000000 0.25000000000000 0.16666666666667 40.078 > 7 26 Ca 0.62500000000000 0.25000000000000 0.16666666666667 40.078 > 7 27 Ca 0.12500000000000 0.25000000000000 0.50000000000000 40.078 > 7 28 Ca 0.62500000000000 0.25000000000000 0.50000000000000 40.078 > 7 29 Ca 0.12500000000000 0.25000000000000 0.83333333333333 40.078 > 7 30 Ca 0.62500000000000 0.25000000000000 0.83333333333333 40.078 > 7 31 Ca 0.12500000000000 0.75000000000000 0.16666666666667 40.078 > 13 32 Ca 0.62500000000000 0.75000000000000 0.16666666666667 40.078 > 13 33 Ca 0.12500000000000 0.75000000000000 0.50000000000000 40.078 > 13 34 Ca 0.62500000000000 0.75000000000000 0.50000000000000 40.078 > 13 35 Ca 0.12500000000000 0.75000000000000 0.83333333333333 40.078 > 13 36 Ca 0.62500000000000 0.75000000000000 0.83333333333333 40.078 > 13 37 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 37 38 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 37 39 Cd 0.00000000000000 0.00000000000000 0.33333333333333 112.411 > 37 40 Cd 0.50000000000000 0.00000000000000 0.33333333333333 112.411 > 37 41 Cd 0.00000000000000 0.00000000000000 0.66666666666667 112.411 > 37 42 Cd 0.50000000000000 0.00000000000000 0.66666666666667 112.411 > 37 43 Cd 0.25000000000000 0.50000000000000 0.00000000000000 112.411 > 37 44 Cd 0.75000000000000 0.50000000000000 0.00000000000000 112.411 > 37 45 Cd 0.25000000000000 0.50000000000000 0.33333333333333 112.411 > 37 46 Cd 0.75000000000000 0.50000000000000 0.33333333333333 112.411 > 37 47 Cd 0.25000000000000 0.50000000000000 0.66666666666667 112.411 > 37 48 Cd 0.75000000000000 0.50000000000000 0.66666666666667 112.411 > 37 49 O 0.25000000000000 0.24626362098112 0.00000000000000 15.999 > 49 50 O 0.75000000000000 0.24626362098112 0.00000000000000 15.999 > 49 51 O 0.25000000000000 0.24626362098112 0.33333333333333 15.999 > 49 52 O 0.75000000000000 0.24626362098112 0.33333333333333 15.999 > 49 53 O 0.25000000000000 0.24626362098112 0.66666666666667 15.999 > 49 54 O 0.75000000000000 0.24626362098112 0.66666666666667 15.999 > 49 55 O 0.37312468996218 0.00000000000000 0.16666666666667 15.999 > 55 56 O 0.87312468996217 0.00000000000000 0.16666666666667 15.999 > 55 57 O 0.37312468996218 0.00000000000000 0.50000000000000 15.999 > 55 58 O 0.87312468996217 0.00000000000000 0.50000000000000 15.999 > 55 59 O 0.37312468996218 0.00000000000000 0.83333333333333 15.999 > 55 60 O 0.87312468996217 0.00000000000000 0.83333333333333 15.999 > 55 61 O 0.12687531003783 0.00000000000000 0.16666666666667 15.999 > 61 62 O 0.62687531003783 0.00000000000000 0.16666666666667 15.999 > 61 63 O 0.12687531003783 0.00000000000000 0.50000000000000 15.999 > 61 64 O 0.62687531003783 0.00000000000000 0.50000000000000 15.999 > 61 65 O 0.12687531003783 0.00000000000000 0.83333333333333 15.999 > 61 66 O 0.62687531003783 0.00000000000000 0.83333333333333 15.999 > 61 67 O 0.25000000000000 0.75373637901888 0.00000000000000 15.999 > 67 68 O 0.75000000000000 0.75373637901888 0.00000000000000 15.999 > 67 69 O 0.25000000000000 0.75373637901888 0.33333333333333 15.999 > 67 70 O 0.75000000000000 0.75373637901888 0.33333333333333 15.999 > 67 71 O 0.25000000000000 0.75373637901888 0.66666666666667 15.999 > 67 72 O 0.75000000000000 0.75373637901888 0.66666666666667 15.999 > 67 73 O 0.00000000000000 0.74626362098112 0.00000000000000 15.999 > 49 74 O 0.50000000000000 0.74626362098112 0.00000000000000 15.999 > 49 75 O 0.00000000000000 0.74626362098112 0.33333333333333 15.999 > 49 76 O 0.50000000000000 0.74626362098112 0.33333333333333 15.999 > 49 77 O 0.00000000000000 0.74626362098112 0.66666666666667 15.999 > 49 78 O 0.50000000000000 0.74626362098112 0.66666666666667 15.999 > 49 79 O 0.12312468996218 0.50000000000000 0.16666666666667 15.999 > 55 80 O 0.62312468996217 0.50000000000000 0.16666666666667 15.999 > 55 81 O 0.12312468996218 0.50000000000000 0.50000000000000 15.999 > 55 82 O 0.62312468996217 0.50000000000000 0.50000000000000 15.999 > 55 83 O 0.12312468996218 0.50000000000000 0.83333333333333 15.999 > 55 84 O 0.62312468996217 0.50000000000000 0.83333333333333 15.999 > 55 85 O 0.37687531003782 0.50000000000000 0.16666666666667 15.999 > 61 86 O 0.87687531003783 0.50000000000000 0.16666666666667 15.999 > 61 87 O 0.37687531003782 0.50000000000000 0.50000000000000 15.999 > 61 88 O 0.87687531003783 0.50000000000000 0.50000000000000 15.999 > 61 89 O 0.37687531003782 0.50000000000000 0.83333333333333 15.999 > 61 90 O 0.87687531003783 0.50000000000000 0.83333333333333 15.999 > 61 91 O 0.00000000000000 0.25373637901888 0.00000000000000 15.999 > 67 92 O 0.50000000000000 0.25373637901888 0.00000000000000 15.999 > 67 93 O 0.00000000000000 0.25373637901888 0.33333333333333 15.999 > 67 94 O 0.50000000000000 0.25373637901888 0.33333333333333 15.999 > 67 95 O 0.00000000000000 0.25373637901888 0.66666666666667 15.999 > 67 96 O 0.50000000000000 0.25373637901888 0.66666666666667 15.999 > 67 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2658259 0.0000000 0.0000000 0.0000000 4.2984301 0.0000000 0.0000000 0.0000000 4.3464116 -------------------------- Born effective charges -------------------------- 1 Ca 2.5770988 0.0000000 0.0000000 0.0000000 2.5084351 0.0000000 0.0000000 0.0000000 2.3838276 2 Ca 2.3577312 0.1354085 0.0000000 0.1397653 2.3658122 0.0000000 0.0000000 0.0000000 2.3756822 3 Ca 2.3577312 -0.1354085 0.0000000 -0.1397653 2.3658122 0.0000000 0.0000000 0.0000000 2.3756822 4 Cd 2.1538850 0.0000000 0.0000000 0.0000000 2.2951791 0.0000000 0.0000000 0.0000000 2.4432934 5 O -2.2987894 0.0000000 0.0000000 0.0000000 -2.4842513 0.0000000 0.0000000 0.0000000 -2.3249414 6 O -2.4244337 0.0000000 0.0000000 0.0000000 -2.2833681 0.0000000 0.0000000 0.0000000 -2.4643013 7 O -2.4244337 0.0000000 0.0000000 0.0000000 -2.2833681 0.0000000 0.0000000 0.0000000 -2.4643013 8 O -2.2987894 0.0000000 0.0000000 0.0000000 -2.4842513 0.0000000 0.0000000 0.0000000 -2.3249414 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: 0.00000000 (xyy) 0.00000000 (xyy) 0.00000000 (xyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) 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 23:40:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:40:34]------------------------- 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 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmmm (65) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.339069225000001 -4.746516845000000 0.000000000000000 b 3.339069225000001 4.746516845000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.369344819999999 Atomic positions (fractional): 1 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 2 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 3 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 4 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 5 O 0.25373637901888 0.74626362098112 0.00000000000000 15.999 6 O 0.74624937992435 0.74624937992435 0.50000000000000 15.999 7 O 0.25375062007565 0.25375062007565 0.50000000000000 15.999 8 O 0.74626362098112 0.25373637901888 0.00000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.356276900000003 0.000000000000000 0.000000000000000 b 0.000000000000000 9.493033690000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.108034459999997 Atomic positions (fractional): 1 Ca 0.25000000000000 0.00000000000000 0.00000000000000 40.078 > 1 2 Ca 0.75000000000000 0.00000000000000 0.00000000000000 40.078 > 1 3 Ca 0.25000000000000 0.00000000000000 0.33333333333333 40.078 > 1 4 Ca 0.75000000000000 0.00000000000000 0.33333333333333 40.078 > 1 5 Ca 0.25000000000000 0.00000000000000 0.66666666666667 40.078 > 1 6 Ca 0.75000000000000 0.00000000000000 0.66666666666667 40.078 > 1 7 Ca 0.37500000000000 0.75000000000000 0.16666666666667 40.078 > 7 8 Ca 0.87500000000000 0.75000000000000 0.16666666666667 40.078 > 7 9 Ca 0.37500000000000 0.75000000000000 0.50000000000000 40.078 > 7 10 Ca 0.87500000000000 0.75000000000000 0.50000000000000 40.078 > 7 11 Ca 0.37500000000000 0.75000000000000 0.83333333333333 40.078 > 7 12 Ca 0.87500000000000 0.75000000000000 0.83333333333333 40.078 > 7 13 Ca 0.37500000000000 0.25000000000000 0.16666666666667 40.078 > 13 14 Ca 0.87500000000000 0.25000000000000 0.16666666666667 40.078 > 13 15 Ca 0.37500000000000 0.25000000000000 0.50000000000000 40.078 > 13 16 Ca 0.87500000000000 0.25000000000000 0.50000000000000 40.078 > 13 17 Ca 0.37500000000000 0.25000000000000 0.83333333333333 40.078 > 13 18 Ca 0.87500000000000 0.25000000000000 0.83333333333333 40.078 > 13 19 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 1 20 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 1 21 Ca 0.00000000000000 0.50000000000000 0.33333333333333 40.078 > 1 22 Ca 0.50000000000000 0.50000000000000 0.33333333333333 40.078 > 1 23 Ca 0.00000000000000 0.50000000000000 0.66666666666667 40.078 > 1 24 Ca 0.50000000000000 0.50000000000000 0.66666666666667 40.078 > 1 25 Ca 0.12500000000000 0.25000000000000 0.16666666666667 40.078 > 7 26 Ca 0.62500000000000 0.25000000000000 0.16666666666667 40.078 > 7 27 Ca 0.12500000000000 0.25000000000000 0.50000000000000 40.078 > 7 28 Ca 0.62500000000000 0.25000000000000 0.50000000000000 40.078 > 7 29 Ca 0.12500000000000 0.25000000000000 0.83333333333333 40.078 > 7 30 Ca 0.62500000000000 0.25000000000000 0.83333333333333 40.078 > 7 31 Ca 0.12500000000000 0.75000000000000 0.16666666666667 40.078 > 13 32 Ca 0.62500000000000 0.75000000000000 0.16666666666667 40.078 > 13 33 Ca 0.12500000000000 0.75000000000000 0.50000000000000 40.078 > 13 34 Ca 0.62500000000000 0.75000000000000 0.50000000000000 40.078 > 13 35 Ca 0.12500000000000 0.75000000000000 0.83333333333333 40.078 > 13 36 Ca 0.62500000000000 0.75000000000000 0.83333333333333 40.078 > 13 37 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 37 38 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 37 39 Cd 0.00000000000000 0.00000000000000 0.33333333333333 112.411 > 37 40 Cd 0.50000000000000 0.00000000000000 0.33333333333333 112.411 > 37 41 Cd 0.00000000000000 0.00000000000000 0.66666666666667 112.411 > 37 42 Cd 0.50000000000000 0.00000000000000 0.66666666666667 112.411 > 37 43 Cd 0.25000000000000 0.50000000000000 0.00000000000000 112.411 > 37 44 Cd 0.75000000000000 0.50000000000000 0.00000000000000 112.411 > 37 45 Cd 0.25000000000000 0.50000000000000 0.33333333333333 112.411 > 37 46 Cd 0.75000000000000 0.50000000000000 0.33333333333333 112.411 > 37 47 Cd 0.25000000000000 0.50000000000000 0.66666666666667 112.411 > 37 48 Cd 0.75000000000000 0.50000000000000 0.66666666666667 112.411 > 37 49 O 0.25000000000000 0.24626362098112 0.00000000000000 15.999 > 49 50 O 0.75000000000000 0.24626362098112 0.00000000000000 15.999 > 49 51 O 0.25000000000000 0.24626362098112 0.33333333333333 15.999 > 49 52 O 0.75000000000000 0.24626362098112 0.33333333333333 15.999 > 49 53 O 0.25000000000000 0.24626362098112 0.66666666666667 15.999 > 49 54 O 0.75000000000000 0.24626362098112 0.66666666666667 15.999 > 49 55 O 0.37312468996218 0.00000000000000 0.16666666666667 15.999 > 55 56 O 0.87312468996217 0.00000000000000 0.16666666666667 15.999 > 55 57 O 0.37312468996218 0.00000000000000 0.50000000000000 15.999 > 55 58 O 0.87312468996217 0.00000000000000 0.50000000000000 15.999 > 55 59 O 0.37312468996218 0.00000000000000 0.83333333333333 15.999 > 55 60 O 0.87312468996217 0.00000000000000 0.83333333333333 15.999 > 55 61 O 0.12687531003783 0.00000000000000 0.16666666666667 15.999 > 61 62 O 0.62687531003783 0.00000000000000 0.16666666666667 15.999 > 61 63 O 0.12687531003783 0.00000000000000 0.50000000000000 15.999 > 61 64 O 0.62687531003783 0.00000000000000 0.50000000000000 15.999 > 61 65 O 0.12687531003783 0.00000000000000 0.83333333333333 15.999 > 61 66 O 0.62687531003783 0.00000000000000 0.83333333333333 15.999 > 61 67 O 0.25000000000000 0.75373637901888 0.00000000000000 15.999 > 67 68 O 0.75000000000000 0.75373637901888 0.00000000000000 15.999 > 67 69 O 0.25000000000000 0.75373637901888 0.33333333333333 15.999 > 67 70 O 0.75000000000000 0.75373637901888 0.33333333333333 15.999 > 67 71 O 0.25000000000000 0.75373637901888 0.66666666666667 15.999 > 67 72 O 0.75000000000000 0.75373637901888 0.66666666666667 15.999 > 67 73 O 0.00000000000000 0.74626362098112 0.00000000000000 15.999 > 49 74 O 0.50000000000000 0.74626362098112 0.00000000000000 15.999 > 49 75 O 0.00000000000000 0.74626362098112 0.33333333333333 15.999 > 49 76 O 0.50000000000000 0.74626362098112 0.33333333333333 15.999 > 49 77 O 0.00000000000000 0.74626362098112 0.66666666666667 15.999 > 49 78 O 0.50000000000000 0.74626362098112 0.66666666666667 15.999 > 49 79 O 0.12312468996218 0.50000000000000 0.16666666666667 15.999 > 55 80 O 0.62312468996217 0.50000000000000 0.16666666666667 15.999 > 55 81 O 0.12312468996218 0.50000000000000 0.50000000000000 15.999 > 55 82 O 0.62312468996217 0.50000000000000 0.50000000000000 15.999 > 55 83 O 0.12312468996218 0.50000000000000 0.83333333333333 15.999 > 55 84 O 0.62312468996217 0.50000000000000 0.83333333333333 15.999 > 55 85 O 0.37687531003782 0.50000000000000 0.16666666666667 15.999 > 61 86 O 0.87687531003783 0.50000000000000 0.16666666666667 15.999 > 61 87 O 0.37687531003782 0.50000000000000 0.50000000000000 15.999 > 61 88 O 0.87687531003783 0.50000000000000 0.50000000000000 15.999 > 61 89 O 0.37687531003782 0.50000000000000 0.83333333333333 15.999 > 61 90 O 0.87687531003783 0.50000000000000 0.83333333333333 15.999 > 61 91 O 0.00000000000000 0.25373637901888 0.00000000000000 15.999 > 67 92 O 0.50000000000000 0.25373637901888 0.00000000000000 15.999 > 67 93 O 0.00000000000000 0.25373637901888 0.33333333333333 15.999 > 67 94 O 0.50000000000000 0.25373637901888 0.33333333333333 15.999 > 67 95 O 0.00000000000000 0.25373637901888 0.66666666666667 15.999 > 67 96 O 0.50000000000000 0.25373637901888 0.66666666666667 15.999 > 67 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2658259 0.0000000 0.0000000 0.0000000 4.2984301 0.0000000 0.0000000 0.0000000 4.3464116 -------------------------- Born effective charges -------------------------- 1 Ca 2.5770988 0.0000000 0.0000000 0.0000000 2.5084351 0.0000000 0.0000000 0.0000000 2.3838276 2 Ca 2.3577312 0.1354085 0.0000000 0.1397653 2.3658122 0.0000000 0.0000000 0.0000000 2.3756822 3 Ca 2.3577312 -0.1354085 0.0000000 -0.1397653 2.3658122 0.0000000 0.0000000 0.0000000 2.3756822 4 Cd 2.1538850 0.0000000 0.0000000 0.0000000 2.2951791 0.0000000 0.0000000 0.0000000 2.4432934 5 O -2.2987894 0.0000000 0.0000000 0.0000000 -2.4842513 0.0000000 0.0000000 0.0000000 -2.3249414 6 O -2.4244337 0.0000000 0.0000000 0.0000000 -2.2833681 0.0000000 0.0000000 0.0000000 -2.4643013 7 O -2.4244337 0.0000000 0.0000000 0.0000000 -2.2833681 0.0000000 0.0000000 0.0000000 -2.4643013 8 O -2.2987894 0.0000000 0.0000000 0.0000000 -2.4842513 0.0000000 0.0000000 0.0000000 -2.3249414 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xyy) 0.00000000 (xyy) 0.00000000 (xyy) Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) --------------------------- 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 ... [ 9 9 15 ] 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: 0.88, Number of G-points: 297, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/200) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 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 3.284 ( 0.000 0.000 0.000) 0.000 3.833 ( 0.000 0.000 0.000) 0.000 4.273 ( 0.000 0.000 0.000) 0.000 4.879 ( 0.000 0.000 0.000) 0.000 5.341 ( 0.000 0.000 0.000) 0.000 5.801 ( 0.000 0.000 0.000) 0.000 7.705 ( 0.000 0.000 0.000) 0.000 8.268 ( 0.000 0.000 0.000) 0.000 8.283 ( 0.000 0.000 0.000) 0.000 8.409 ( 0.000 0.000 0.000) 0.000 8.437 ( 0.000 0.000 0.000) 0.000 8.661 ( 0.000 0.000 0.000) 0.000 9.290 ( 0.000 0.000 0.000) 0.000 9.473 ( 0.000 0.000 0.000) 0.000 9.614 ( 0.000 0.000 0.000) 0.000 9.615 ( 0.000 0.000 0.000) 0.000 9.916 ( 0.000 0.000 0.000) 0.000 10.967 ( 0.000 0.000 0.000) 0.000 11.552 ( 0.000 0.000 0.000) 0.000 13.901 ( 0.000 0.000 0.000) 0.000 14.021 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/200) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 29.580 -22.183 0.000) 36.974 0.805 ( 30.725 -23.283 0.000) 38.551 1.363 ( 53.011 -37.454 0.000) 64.908 3.294 ( 0.552 -1.004 0.000) 1.145 3.903 ( -2.137 -5.729 0.000) 6.114 4.383 ( 6.180 -3.680 0.000) 7.193 4.992 ( 13.923 0.313 0.000) 13.926 5.311 ( -3.263 0.692 0.000) 3.336 5.762 ( -2.701 2.404 0.000) 3.616 7.680 ( -7.654 -3.002 0.000) 8.222 8.326 ( -0.347 -7.505 0.000) 7.513 8.365 ( -2.779 -0.788 0.000) 2.889 8.513 ( 5.645 -0.523 0.000) 5.670 8.524 ( 10.517 15.114 0.000) 18.413 9.276 ( 1.882 0.201 0.000) 1.893 9.465 ( 0.387 1.969 0.000) 2.007 9.605 ( -1.758 -1.056 0.000) 2.051 9.636 ( 1.010 -2.176 0.000) 2.399 9.844 ( 0.332 4.945 0.000) 4.956 10.766 ( -16.621 7.340 0.000) 18.170 11.558 ( -2.821 -6.037 0.000) 6.664 13.885 ( 0.378 8.097 0.000) 8.105 14.113 ( 10.138 -4.132 0.000) 10.948 15.917 ( -4.830 -1.857 0.000) 5.175 ======================= Grid point 2 (3/200) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 25.708 -19.108 0.000) 32.031 1.547 ( 26.763 -21.085 0.000) 34.071 2.576 ( 43.056 -29.185 0.000) 52.015 3.327 ( 1.200 -2.130 0.000) 2.445 3.898 ( -3.145 0.486 0.000) 3.182 4.653 ( 14.298 -16.591 0.000) 21.902 5.207 ( -6.981 2.687 0.000) 7.480 5.335 ( 27.349 0.975 0.000) 27.366 5.677 ( -3.018 2.932 0.000) 4.207 7.542 ( -12.631 -2.339 0.000) 12.846 8.344 ( -1.263 -1.081 0.000) 1.662 8.423 ( -0.685 -8.792 0.000) 8.818 8.525 ( 4.671 6.937 0.000) 8.363 8.620 ( 5.776 -1.058 0.000) 5.872 9.112 ( -12.834 14.325 0.000) 19.234 9.438 ( -0.022 3.278 0.000) 3.278 9.585 ( -2.341 -1.714 0.000) 2.902 9.665 ( 0.346 -1.036 0.000) 1.092 9.930 ( 14.718 4.749 0.000) 15.465 10.340 ( -20.018 6.551 0.000) 21.063 11.624 ( -2.932 -15.165 0.000) 15.445 13.713 ( -1.980 18.723 0.000) 18.827 14.400 ( 13.937 -7.928 0.000) 16.034 15.832 ( -5.108 2.043 0.000) 5.502 ======================= Grid point 3 (4/200) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 18.225 -13.197 0.000) 22.501 2.168 ( 20.301 -17.026 0.000) 26.496 3.380 ( 24.096 -10.527 0.000) 26.295 3.385 ( 2.034 -3.206 0.000) 3.796 3.791 ( -7.728 0.638 0.000) 7.755 5.026 ( -8.607 4.735 0.000) 9.823 5.309 ( 30.177 -31.915 0.000) 43.923 5.609 ( -1.765 1.717 0.000) 2.462 5.837 ( 33.778 2.404 0.000) 33.863 7.313 ( -18.225 -2.238 0.000) 18.362 8.308 ( -23.111 20.762 0.000) 31.067 8.343 ( -0.342 -0.907 0.000) 0.970 8.488 ( 2.099 -0.171 0.000) 2.106 8.722 ( 4.626 -1.213 0.000) 4.783 8.760 ( -4.599 2.251 0.000) 5.121 9.391 ( -0.980 3.024 0.000) 3.179 9.571 ( -1.539 -1.380 0.000) 2.067 9.678 ( -1.761 0.465 0.000) 1.821 9.860 ( -11.263 2.619 0.000) 11.564 10.258 ( 12.938 5.769 0.000) 14.166 11.863 ( 3.264 -26.353 0.000) 26.554 13.381 ( -6.231 26.318 0.000) 27.045 14.717 ( 12.209 -7.572 0.000) 14.366 15.706 ( -5.639 3.692 0.000) 6.740 ======================= Grid point 4 (5/200) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 6.616 -4.615 0.000) 8.067 2.578 ( 8.980 -8.117 0.000) 12.105 3.454 ( 1.533 -2.105 0.000) 2.604 3.577 ( 1.491 7.678 0.000) 7.821 3.765 ( 0.237 -7.545 0.000) 7.549 4.859 ( -4.346 2.798 0.000) 5.169 5.577 ( -0.560 0.500 0.000) 0.750 6.295 ( 30.586 -37.508 0.000) 48.398 6.339 ( 30.291 2.794 0.000) 30.419 7.003 ( -16.383 3.294 0.000) 16.711 7.456 ( -36.156 28.532 0.000) 46.058 8.348 ( -0.034 -0.350 0.000) 0.352 8.514 ( 0.990 0.146 0.000) 1.001 8.759 ( -0.108 -1.828 0.000) 1.831 8.790 ( 1.900 -0.602 0.000) 1.993 9.348 ( -0.720 1.257 0.000) 1.449 9.548 ( -5.562 1.912 0.000) 5.881 9.565 ( -0.478 -0.486 0.000) 0.682 9.811 ( 0.229 -1.721 0.000) 1.736 10.352 ( 4.912 3.861 0.000) 6.247 12.327 ( 9.832 -31.021 0.000) 32.542 12.905 ( -9.991 30.106 0.000) 31.720 14.946 ( 5.817 -3.801 0.000) 6.948 15.583 ( -3.468 2.480 0.000) 4.264 ======================= Grid point 10 (6/200) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 34.169 -0.000 0.000) 34.169 1.271 ( 36.201 -0.000 0.000) 36.201 2.165 ( 58.355 -0.000 0.000) 58.355 3.304 ( 1.481 -0.000 0.000) 1.481 3.940 ( 6.881 -0.000 0.000) 6.881 4.413 ( 3.144 -0.000 0.000) 3.144 5.238 ( -6.191 0.000 0.000) 6.191 5.360 ( 29.081 -0.000 0.000) 29.081 5.713 ( -4.362 0.000 0.000) 4.362 7.515 ( -11.995 0.000 0.000) 11.995 8.285 ( 0.809 -0.000 0.000) 0.809 8.329 ( -1.099 0.000 0.000) 1.099 8.609 ( 6.001 -0.000 0.000) 6.001 8.701 ( 2.747 -0.000 0.000) 2.747 9.271 ( -6.358 0.000 0.000) 6.358 9.490 ( 0.964 -0.000 0.000) 0.964 9.552 ( -3.565 0.000 0.000) 3.565 9.641 ( 0.862 -0.000 0.000) 0.862 10.016 ( 18.365 -0.000 0.000) 18.365 10.397 ( -30.014 0.000 0.000) 30.014 11.445 ( -6.198 0.000 0.000) 6.198 14.041 ( 7.190 -0.000 0.000) 7.190 14.213 ( 7.703 -0.000 0.000) 7.703 15.816 ( -5.946 0.000 0.000) 5.946 ======================= Grid point 11 (7/200) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 27.242 -6.580 0.000) 28.025 1.879 ( 30.417 -6.474 0.000) 31.099 3.074 ( 38.914 -9.777 0.000) 40.123 3.349 ( 3.696 -0.497 0.000) 3.729 3.999 ( 6.470 12.360 0.000) 13.951 4.651 ( 15.139 -21.306 0.000) 26.137 5.100 ( -9.170 1.578 0.000) 9.304 5.637 ( -3.705 0.646 0.000) 3.761 5.913 ( 37.430 2.329 0.000) 37.502 7.260 ( -19.546 -1.448 0.000) 19.600 8.324 ( -0.002 -0.517 0.000) 0.517 8.328 ( -0.049 -3.628 0.000) 3.628 8.707 ( 5.408 -0.233 0.000) 5.413 8.717 ( 5.103 7.660 0.000) 9.204 9.005 ( -16.964 10.965 0.000) 20.199 9.460 ( -2.667 2.711 0.000) 3.803 9.528 ( -0.655 -2.148 0.000) 2.246 9.644 ( -2.846 -1.398 0.000) 3.171 9.871 ( -28.166 -1.479 0.000) 28.204 10.407 ( 26.294 5.084 0.000) 26.781 11.392 ( -5.949 -12.035 0.000) 13.425 13.972 ( 2.512 22.669 0.000) 22.807 14.455 ( 7.785 -14.545 0.000) 16.498 15.701 ( -9.459 -2.127 0.000) 9.696 ======================= Grid point 12 (8/200) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 15.691 -5.457 0.000) 16.613 2.394 ( 21.706 -5.875 0.000) 22.487 3.444 ( 7.677 0.600 0.000) 7.700 3.572 ( 6.765 -7.288 0.000) 9.944 3.930 ( 12.739 19.847 0.000) 23.583 4.913 ( -9.882 1.690 0.000) 10.026 5.405 ( 31.391 -35.555 0.000) 47.430 5.584 ( -2.138 0.109 0.000) 2.141 6.470 ( 28.871 6.567 0.000) 29.608 6.936 ( -18.353 -5.264 0.000) 19.094 8.136 ( -23.493 21.466 0.000) 31.823 8.336 ( 0.429 -0.594 0.000) 0.733 8.556 ( -2.380 6.650 0.000) 7.063 8.786 ( 3.688 0.102 0.000) 3.689 8.802 ( 5.444 4.444 0.000) 7.028 9.379 ( -3.602 1.310 0.000) 3.833 9.455 ( -19.608 -9.246 0.000) 21.678 9.547 ( 0.593 -0.936 0.000) 1.108 9.707 ( -2.949 -4.866 0.000) 5.690 10.607 ( 10.837 15.782 0.000) 19.145 11.641 ( 8.916 -26.652 0.000) 28.104 13.638 ( -4.274 30.889 0.000) 31.183 14.742 ( 5.652 -13.748 0.000) 14.864 15.555 ( -11.838 -3.773 0.000) 12.425 ======================= Grid point 13 (9/200) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 2.657 0.080 0.000) 2.658 2.690 ( 8.662 1.573 0.000) 8.804 3.535 ( -7.341 1.045 0.000) 7.415 3.551 ( 7.610 5.642 0.000) 9.473 4.009 ( 17.033 15.794 0.000) 23.229 4.789 ( -4.025 -3.037 0.000) 5.042 5.562 ( -1.087 -0.746 0.000) 1.318 6.268 ( -25.182 -5.910 0.000) 25.867 6.403 ( 24.222 -31.251 0.000) 39.539 7.104 ( 4.193 12.892 0.000) 13.557 7.349 ( -5.782 24.116 0.000) 24.799 8.349 ( 0.509 -0.262 0.000) 0.572 8.532 ( 1.066 1.784 0.000) 2.078 8.815 ( 0.479 1.355 0.000) 1.438 8.861 ( 7.492 5.826 0.000) 9.491 9.324 ( -2.356 -0.765 0.000) 2.477 9.358 ( -7.892 -14.050 0.000) 16.115 9.569 ( 1.203 -0.168 0.000) 1.215 9.728 ( -3.587 -6.880 0.000) 7.759 10.484 ( -2.700 13.126 0.000) 13.401 12.193 ( 16.190 -26.890 0.000) 31.388 13.141 ( -8.137 34.400 0.000) 35.350 14.914 ( -1.859 -6.993 0.000) 7.236 15.436 ( -9.264 -9.054 0.000) 12.953 ======================= Grid point 14 (10/200) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( -7.370 9.048 0.000) 11.670 2.583 ( -8.141 16.340 0.000) 18.256 3.437 ( -6.260 -1.049 0.000) 6.348 3.530 ( 1.449 9.623 0.000) 9.731 4.059 ( 13.856 19.034 0.000) 23.543 4.878 ( 5.935 -7.925 0.000) 9.901 5.563 ( -0.749 -2.048 0.000) 2.181 5.668 ( -42.145 -1.466 0.000) 42.170 6.248 ( -27.357 36.539 0.000) 45.646 7.226 ( 22.473 -16.990 0.000) 28.172 7.760 ( 27.080 -13.928 0.000) 30.451 8.358 ( 0.691 0.291 0.000) 0.750 8.526 ( 2.109 2.856 0.000) 3.550 8.768 ( -2.945 2.706 0.000) 3.999 8.890 ( 6.135 8.968 0.000) 10.866 9.321 ( -0.764 -2.874 0.000) 2.974 9.503 ( 2.074 -14.856 0.000) 15.001 9.592 ( 1.753 0.426 0.000) 1.804 9.749 ( -2.747 -8.076 0.000) 8.530 10.256 ( -9.538 7.355 0.000) 12.045 12.542 ( -4.851 24.301 0.000) 24.780 12.818 ( 12.823 -14.549 0.000) 19.393 14.809 ( -13.540 0.461 0.000) 13.548 15.494 ( -1.943 -14.313 0.000) 14.445 ======================= Grid point 15 (11/200) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -13.570 20.041 0.000) 24.203 2.117 ( -16.704 25.163 0.000) 30.203 3.190 ( -16.544 17.248 0.000) 23.900 3.428 ( -0.750 7.246 0.000) 7.285 4.062 ( 12.858 17.051 0.000) 21.356 4.976 ( -34.252 5.279 0.000) 34.656 5.103 ( 8.918 -6.493 0.000) 11.031 5.496 ( -21.435 21.129 0.000) 30.098 5.588 ( -0.505 -4.301 0.000) 4.331 7.597 ( 14.423 0.660 0.000) 14.438 8.295 ( 5.358 -14.167 0.000) 15.146 8.368 ( 1.354 0.777 0.000) 1.561 8.630 ( 14.311 -3.587 0.000) 14.754 8.667 ( -4.774 3.091 0.000) 5.688 8.859 ( 3.995 7.499 0.000) 8.497 9.354 ( -0.280 -3.807 0.000) 3.817 9.605 ( -4.251 -6.753 0.000) 7.979 9.616 ( 1.942 0.832 0.000) 2.112 9.891 ( -1.469 -2.553 0.000) 2.946 10.083 ( -0.107 -10.393 0.000) 10.394 12.127 ( -2.597 26.820 0.000) 26.946 13.272 ( 12.997 -18.010 0.000) 22.211 14.519 ( -18.147 2.144 0.000) 18.273 15.647 ( -0.177 -13.637 0.000) 13.638 ======================= Grid point 16 (12/200) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -13.333 29.951 0.000) 32.785 1.488 ( -17.799 31.109 0.000) 35.841 2.471 ( -21.256 46.468 0.000) 51.099 3.350 ( -0.511 4.207 0.000) 4.238 4.083 ( 9.623 12.416 0.000) 15.708 4.504 ( -15.866 4.108 0.000) 16.389 5.037 ( -13.868 6.985 0.000) 15.527 5.276 ( 4.962 -2.380 0.000) 5.503 5.654 ( 0.621 -6.610 0.000) 6.640 7.764 ( 9.589 3.832 0.000) 10.327 8.348 ( -3.846 -2.140 0.000) 4.401 8.390 ( 2.591 0.901 0.000) 2.743 8.548 ( -5.050 2.785 0.000) 5.767 8.654 ( 2.516 17.406 0.000) 17.587 9.078 ( 4.203 -14.998 0.000) 15.576 9.395 ( -0.204 -3.719 0.000) 3.725 9.633 ( 1.349 1.050 0.000) 1.709 9.640 ( -0.092 -8.626 0.000) 8.627 9.736 ( -5.660 4.096 0.000) 6.986 10.437 ( 9.570 -20.270 0.000) 22.415 11.849 ( 0.581 18.631 0.000) 18.640 13.650 ( 12.048 -10.890 0.000) 16.240 14.189 ( -17.925 1.379 0.000) 17.978 15.794 ( 0.134 -11.431 0.000) 11.432 ======================= Grid point 17 (13/200) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 0.000 36.997 0.000) 36.997 0.903 ( 0.000 37.110 0.000) 37.110 1.585 ( 0.000 63.920 0.000) 63.920 3.309 ( 0.000 2.307 0.000) 2.307 4.065 ( 0.000 7.464 0.000) 7.464 4.323 ( 0.000 3.408 0.000) 3.408 4.877 ( 0.000 0.790 0.000) 0.790 5.331 ( -0.000 -0.803 0.000) 0.803 5.737 ( -0.000 -5.445 0.000) 5.445 7.822 ( 0.000 2.579 0.000) 2.579 8.290 ( 0.000 1.560 0.000) 1.560 8.432 ( -0.000 -0.394 0.000) 0.394 8.446 ( 0.000 3.102 0.000) 3.102 8.474 ( 0.000 14.974 0.000) 14.974 9.209 ( -0.000 -7.250 0.000) 7.250 9.433 ( -0.000 -3.031 0.000) 3.031 9.632 ( 0.000 1.141 0.000) 1.141 9.655 ( 0.000 2.998 0.000) 2.998 9.780 ( -0.000 -10.390 0.000) 10.390 10.752 ( -0.000 -16.612 0.000) 16.612 11.683 ( 0.000 11.713 0.000) 11.713 13.893 ( -0.000 -0.920 0.000) 0.920 13.971 ( -0.000 -4.113 0.000) 4.113 15.917 ( -0.000 -8.583 0.000) 8.583 ======================= Grid point 20 (14/200) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 19.547 -0.000 0.000) 19.547 2.328 ( 26.155 -0.000 0.000) 26.155 3.455 ( 9.914 -0.000 0.000) 9.914 3.471 ( 13.014 -0.000 0.000) 13.014 4.341 ( 17.812 -0.000 0.000) 17.812 4.810 ( 27.378 -0.000 0.000) 27.378 4.934 ( -11.805 0.000 0.000) 11.805 5.585 ( -2.788 0.000 0.000) 2.788 6.578 ( 39.226 -0.000 0.000) 39.226 6.845 ( -29.107 0.000 0.000) 29.107 8.318 ( -0.697 0.000 0.000) 0.697 8.328 ( 0.630 -0.000 0.000) 0.630 8.788 ( 4.339 -0.000 0.000) 4.339 8.819 ( -13.557 0.000 0.000) 13.557 8.864 ( 7.094 -0.000 0.000) 7.094 9.239 ( -34.007 0.000 0.000) 34.007 9.398 ( -5.265 0.000 0.000) 5.265 9.533 ( 1.575 -0.000 0.000) 1.575 9.645 ( -3.416 0.000 0.000) 3.416 10.976 ( 33.253 -0.000 0.000) 33.253 11.150 ( -11.360 0.000 0.000) 11.360 14.278 ( 5.909 -0.000 0.000) 5.909 14.314 ( -3.017 0.000 0.000) 3.017 15.491 ( -13.906 0.000 0.000) 13.906 ======================= Grid point 21 (15/200) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 8.189 -0.806 0.000) 8.228 2.707 ( 18.741 0.432 0.000) 18.746 3.526 ( -5.345 -1.175 0.000) 5.473 3.669 ( 16.356 3.209 0.000) 16.668 4.509 ( 22.596 22.882 0.000) 32.158 4.731 ( -12.063 -1.519 0.000) 12.158 5.547 ( -2.045 -0.371 0.000) 2.078 5.552 ( 32.842 -29.567 0.000) 44.191 6.289 ( -35.922 0.076 0.000) 35.922 7.177 ( 29.884 0.581 0.000) 29.890 8.074 ( -16.690 26.841 0.000) 31.607 8.342 ( 0.821 -0.229 0.000) 0.852 8.591 ( -1.014 3.820 0.000) 3.952 8.842 ( 2.355 0.746 0.000) 2.470 8.916 ( -19.649 -21.207 0.000) 28.910 8.983 ( 8.765 2.617 0.000) 9.147 9.312 ( -4.741 -0.247 0.000) 4.748 9.563 ( 1.734 -0.207 0.000) 1.746 9.592 ( -5.396 -3.459 0.000) 6.409 10.843 ( -8.200 14.255 0.000) 16.446 11.644 ( 26.344 -17.727 0.000) 31.753 13.927 ( -5.840 31.275 0.000) 31.815 14.586 ( 0.768 -21.053 0.000) 21.067 15.251 ( -17.795 -4.780 0.000) 18.426 ======================= Grid point 22 (16/200) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 0.056 2.744 0.000) 2.745 2.882 ( 6.034 9.181 0.000) 10.986 3.410 ( -6.957 -1.707 0.000) 7.163 3.815 ( 9.469 13.317 0.000) 16.340 4.588 ( 20.205 25.159 0.000) 32.268 4.662 ( -1.441 -10.054 0.000) 10.157 5.521 ( -2.446 -1.360 0.000) 2.799 5.632 ( -38.908 -0.368 0.000) 38.910 6.483 ( 27.423 -32.898 0.000) 42.828 7.145 ( -20.870 30.068 0.000) 36.601 7.738 ( 16.930 8.033 0.000) 18.739 8.359 ( 0.915 -0.162 0.000) 0.929 8.618 ( 5.148 3.627 0.000) 6.297 8.837 ( -0.664 2.781 0.000) 2.859 8.971 ( -4.447 -21.070 0.000) 21.534 9.111 ( 9.596 0.988 0.000) 9.646 9.260 ( -2.964 -2.192 0.000) 3.687 9.550 ( -7.153 -7.303 0.000) 10.222 9.595 ( 1.896 -0.064 0.000) 1.897 10.520 ( -11.643 12.429 0.000) 17.031 12.270 ( 24.032 -16.691 0.000) 29.259 13.415 ( -7.929 34.426 0.000) 35.328 14.737 ( -8.214 -8.014 0.000) 11.476 15.082 ( -13.422 -17.971 0.000) 22.430 ======================= Grid point 23 (17/200) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( -4.663 10.613 0.000) 11.592 2.656 ( -9.817 20.199 0.000) 22.459 3.374 ( -0.819 1.355 0.000) 1.583 3.694 ( -0.347 15.461 0.000) 15.465 4.572 ( 8.143 18.959 0.000) 20.634 4.890 ( 9.931 -11.874 0.000) 15.480 5.030 ( -25.668 7.187 0.000) 26.655 5.496 ( -3.789 -3.219 0.000) 4.972 6.236 ( -25.594 36.816 0.000) 44.838 7.350 ( 22.306 -25.573 0.000) 33.934 7.957 ( 8.983 -6.095 0.000) 10.856 8.376 ( 1.161 0.009 0.000) 1.161 8.650 ( 5.998 5.016 0.000) 7.819 8.760 ( -2.975 4.589 0.000) 5.470 9.116 ( 7.695 5.945 0.000) 9.724 9.263 ( -1.293 -3.907 0.000) 4.115 9.335 ( 3.189 -16.867 0.000) 17.166 9.553 ( -3.717 -13.559 0.000) 14.059 9.626 ( 1.800 0.108 0.000) 1.803 10.177 ( -13.053 10.162 0.000) 16.542 12.734 ( 7.279 8.351 0.000) 11.078 12.996 ( 8.895 10.491 0.000) 13.755 14.514 ( -20.590 -1.974 0.000) 20.684 15.214 ( -4.151 -22.825 0.000) 23.199 ======================= Grid point 24 (18/200) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -5.734 21.215 0.000) 21.976 2.178 ( -12.042 27.051 0.000) 29.610 3.240 ( -3.741 17.954 0.000) 18.339 3.520 ( -0.979 10.969 0.000) 11.012 4.410 ( -12.103 -1.763 0.000) 12.230 4.693 ( 8.486 28.964 0.000) 30.182 5.180 ( 9.736 -6.733 0.000) 11.837 5.442 ( -21.076 27.932 0.000) 34.991 5.479 ( -4.666 -7.162 0.000) 8.548 7.806 ( 11.904 -3.393 0.000) 12.378 8.186 ( 0.713 -15.614 0.000) 15.630 8.398 ( 1.443 -0.085 0.000) 1.446 8.647 ( -3.179 5.373 0.000) 6.243 8.753 ( 7.093 -5.014 0.000) 8.686 9.091 ( 5.373 16.669 0.000) 17.514 9.299 ( -0.455 -4.418 0.000) 4.442 9.439 ( -3.730 -8.318 0.000) 9.116 9.649 ( 1.156 0.305 0.000) 1.195 9.816 ( 1.659 -13.433 0.000) 13.535 9.914 ( -5.770 -6.825 0.000) 8.937 12.407 ( -2.002 28.084 0.000) 28.155 13.399 ( 21.228 -9.967 0.000) 23.451 14.171 ( -23.067 -2.682 0.000) 23.222 15.418 ( -2.057 -20.297 0.000) 20.401 ======================= Grid point 25 (19/200) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 0.000 29.545 0.000) 29.545 1.708 ( 0.000 32.138 0.000) 32.138 2.846 ( 0.000 39.650 0.000) 39.650 3.409 ( 0.000 6.898 0.000) 6.898 4.340 ( -0.000 -3.777 0.000) 3.777 4.447 ( 0.000 28.615 0.000) 28.615 5.012 ( 0.000 12.614 0.000) 12.614 5.306 ( -0.000 -1.250 0.000) 1.250 5.549 ( -0.000 -10.542 0.000) 10.542 7.899 ( 0.000 2.967 0.000) 2.967 8.293 ( -0.000 -4.099 0.000) 4.099 8.420 ( -0.000 -0.595 0.000) 0.595 8.549 ( 0.000 5.480 0.000) 5.480 8.910 ( 0.000 20.668 0.000) 20.668 8.939 ( -0.000 -13.932 0.000) 13.932 9.346 ( -0.000 -4.213 0.000) 4.213 9.512 ( -0.000 -10.194 0.000) 10.194 9.654 ( 0.000 0.599 0.000) 0.599 9.751 ( 0.000 4.320 0.000) 4.320 10.221 ( -0.000 -27.310 0.000) 27.310 12.093 ( 0.000 23.070 0.000) 23.070 13.841 ( -0.000 -6.595 0.000) 6.595 13.842 ( -0.000 -3.631 0.000) 3.631 15.618 ( -0.000 -16.837 0.000) 16.837 ======================= Grid point 30 (20/200) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( 2.472 -0.000 0.000) 2.472 3.001 ( 15.350 -0.000 0.000) 15.350 3.375 ( -11.322 0.000 0.000) 11.322 4.026 ( 21.853 -0.000 0.000) 21.853 4.495 ( -13.443 0.000 0.000) 13.443 5.015 ( 11.472 -0.000 0.000) 11.472 5.504 ( -2.975 0.000 0.000) 2.975 5.694 ( -27.914 0.000 0.000) 27.914 5.882 ( 30.081 -0.000 0.000) 30.081 7.490 ( 3.555 -0.000 0.000) 3.555 8.199 ( -27.448 0.000 0.000) 27.448 8.293 ( 12.155 -0.000 0.000) 12.155 8.356 ( 1.008 -0.000 0.000) 1.008 8.715 ( 4.599 -0.000 0.000) 4.599 8.875 ( 0.742 -0.000 0.000) 0.742 9.171 ( 10.890 -0.000 0.000) 10.890 9.231 ( -4.352 0.000 0.000) 4.352 9.455 ( -8.041 0.000 0.000) 8.041 9.593 ( 1.965 -0.000 0.000) 1.965 10.698 ( -15.571 0.000 0.000) 15.571 12.049 ( 30.564 -0.000 0.000) 30.564 14.048 ( -10.918 0.000 0.000) 10.918 14.401 ( 1.588 -0.000 0.000) 1.588 14.880 ( -22.661 0.000 0.000) 22.661 ======================= Grid point 31 (21/200) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( -0.341 2.646 0.000) 2.667 3.053 ( -4.999 13.654 0.000) 14.540 3.308 ( 4.041 -6.647 0.000) 7.779 4.110 ( -0.268 18.679 0.000) 18.681 4.552 ( 10.149 -16.476 0.000) 19.351 4.729 ( -32.437 0.202 0.000) 32.438 5.445 ( -5.015 -1.091 0.000) 5.132 5.515 ( 17.014 26.034 0.000) 31.100 6.534 ( 21.037 -26.066 0.000) 33.496 7.177 ( -16.092 27.823 0.000) 32.141 7.854 ( -9.308 -7.416 0.000) 11.902 8.374 ( 1.075 -0.103 0.000) 1.080 8.702 ( 12.743 -17.528 0.000) 21.671 8.786 ( 5.334 2.251 0.000) 5.790 8.857 ( -1.086 2.841 0.000) 3.042 9.183 ( -2.756 -2.355 0.000) 3.625 9.296 ( -1.709 -1.213 0.000) 2.096 9.391 ( 5.444 -0.269 0.000) 5.451 9.625 ( 1.758 -0.064 0.000) 1.759 10.391 ( -16.162 6.030 0.000) 17.251 12.582 ( 28.248 -5.883 0.000) 28.854 13.661 ( -7.899 28.652 0.000) 29.721 14.461 ( -19.212 -2.166 0.000) 19.333 14.626 ( -7.616 -24.315 0.000) 25.479 ======================= Grid point 32 (22/200) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( -1.535 8.591 0.000) 8.727 2.728 ( -8.454 19.225 0.000) 21.001 3.444 ( 6.142 2.108 0.000) 6.494 3.861 ( -2.516 16.781 0.000) 16.968 4.255 ( -24.963 -7.157 0.000) 25.969 4.936 ( 12.729 -13.299 0.000) 18.409 5.364 ( -7.282 -2.717 0.000) 7.773 5.483 ( 20.759 33.462 0.000) 39.379 6.272 ( -22.402 39.117 0.000) 45.077 7.363 ( 17.678 -29.456 0.000) 34.354 7.869 ( -6.429 -13.183 0.000) 14.666 8.393 ( 0.891 -0.262 0.000) 0.928 8.780 ( -1.711 5.469 0.000) 5.730 8.800 ( 3.797 5.504 0.000) 6.687 9.101 ( 6.347 -20.034 0.000) 21.016 9.193 ( -1.039 -4.345 0.000) 4.468 9.261 ( -4.567 -6.124 0.000) 7.640 9.526 ( 10.886 5.145 0.000) 12.041 9.650 ( 1.071 -0.084 0.000) 1.074 10.049 ( -14.291 7.058 0.000) 15.939 13.022 ( 12.530 12.350 0.000) 17.593 13.297 ( 10.379 12.326 0.000) 16.114 14.089 ( -25.965 -3.689 0.000) 26.226 14.869 ( -2.177 -25.655 0.000) 25.747 ======================= Grid point 33 (23/200) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 0.000 16.186 0.000) 16.186 2.382 ( 0.000 25.116 0.000) 25.116 3.408 ( 0.000 12.267 0.000) 12.267 3.657 ( 0.000 14.261 0.000) 14.261 4.155 ( -0.000 -10.879 0.000) 10.879 5.254 ( -0.000 -14.306 0.000) 14.306 5.277 ( -0.000 -1.119 0.000) 1.119 5.407 ( 0.000 48.790 0.000) 48.790 5.459 ( 0.000 24.270 0.000) 24.270 7.891 ( -0.000 -5.595 0.000) 5.595 7.906 ( -0.000 -27.983 0.000) 27.983 8.406 ( -0.000 -0.516 0.000) 0.516 8.692 ( 0.000 6.411 0.000) 6.411 8.787 ( 0.000 1.765 0.000) 1.765 9.240 ( -0.000 -4.771 0.000) 4.771 9.308 ( -0.000 -7.769 0.000) 7.769 9.308 ( 0.000 2.431 0.000) 2.431 9.619 ( -0.000 -12.199 0.000) 12.199 9.660 ( 0.000 0.010 0.000) 0.010 9.847 ( 0.000 3.606 0.000) 3.606 12.730 ( 0.000 30.131 0.000) 30.131 13.686 ( -0.000 -6.086 0.000) 6.086 13.730 ( -0.000 -5.358 0.000) 5.358 15.139 ( -0.000 -23.680 0.000) 23.680 ======================= Grid point 40 (24/200) ======================= q-point: ( 0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( -0.241 0.000 0.000) 0.241 2.993 ( -8.190 0.000 0.000) 8.190 3.433 ( 11.786 -0.000 0.000) 11.786 4.139 ( -6.364 0.000 0.000) 6.364 4.161 ( -29.510 0.000 0.000) 29.510 4.703 ( 15.869 -0.000 0.000) 15.869 5.335 ( -6.942 0.000 0.000) 6.942 6.058 ( 18.153 -0.000 0.000) 18.153 6.670 ( 17.402 -0.000 0.000) 17.402 7.188 ( -12.546 0.000 0.000) 12.546 7.437 ( -16.492 0.000 0.000) 16.492 8.390 ( 0.780 -0.000 0.000) 0.780 8.829 ( 10.383 -0.000 0.000) 10.383 8.860 ( -0.885 0.000 0.000) 0.885 8.897 ( 4.228 -0.000 0.000) 4.228 9.128 ( -1.633 0.000 0.000) 1.633 9.155 ( -6.448 0.000 0.000) 6.448 9.611 ( 14.219 -0.000 0.000) 14.219 9.649 ( 1.047 -0.000 0.000) 1.047 10.148 ( -16.669 0.000 0.000) 16.669 13.036 ( 29.394 -0.000 0.000) 29.394 13.745 ( -5.422 0.000 0.000) 5.422 14.015 ( -28.444 0.000 0.000) 28.444 14.417 ( -0.111 0.000 0.000) 0.111 ======================= Grid point 42 (25/200) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 0.000 4.324 0.000) 4.324 2.845 ( 0.000 12.463 0.000) 12.463 3.569 ( 0.000 2.960 0.000) 2.960 3.903 ( -0.000 -8.205 0.000) 8.205 4.007 ( 0.000 12.075 0.000) 12.075 4.929 ( -0.000 -10.925 0.000) 10.925 5.258 ( -0.000 -0.447 0.000) 0.447 6.063 ( 0.000 23.458 0.000) 23.458 6.528 ( 0.000 43.056 0.000) 43.056 7.205 ( -0.000 -26.210 0.000) 26.210 7.529 ( -0.000 -25.757 0.000) 25.757 8.398 ( -0.000 -0.202 0.000) 0.202 8.825 ( 0.000 4.095 0.000) 4.095 8.896 ( 0.000 5.325 0.000) 5.325 8.978 ( -0.000 -10.689 0.000) 10.689 9.136 ( -0.000 -3.352 0.000) 3.352 9.140 ( -0.000 -6.003 0.000) 6.003 9.658 ( -0.000 -0.089 0.000) 0.089 9.778 ( 0.000 7.274 0.000) 7.274 9.908 ( 0.000 1.380 0.000) 1.380 13.388 ( 0.000 19.582 0.000) 19.582 13.581 ( -0.000 -2.476 0.000) 2.476 13.653 ( 0.000 1.994 0.000) 1.994 14.567 ( -0.000 -21.658 0.000) 21.658 ======================= Grid point 83 (26/200) ======================= q-point: ( 0.00 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 0.000 0.000 37.856) 37.856 0.768 ( 0.000 0.000 38.280) 38.280 1.303 ( 0.000 0.000 62.782) 62.782 3.523 ( 0.000 0.000 16.412) 16.412 3.873 ( 0.000 0.000 4.171) 4.171 4.294 ( 0.000 0.000 2.246) 2.246 4.889 ( 0.000 0.000 1.039) 1.039 5.481 ( 0.000 0.000 13.782) 13.782 6.024 ( 0.000 0.000 20.509) 20.509 7.683 ( 0.000 0.000 -2.209) 2.209 8.228 ( 0.000 0.000 -1.679) 1.679 8.296 ( 0.000 0.000 1.601) 1.601 8.606 ( 0.000 0.000 14.099) 14.099 8.678 ( 0.000 0.000 1.792) 1.792 9.297 ( 0.000 0.000 0.623) 0.623 9.611 ( 0.000 0.000 -0.311) 0.311 9.629 ( 0.000 0.000 16.554) 16.554 9.648 ( 0.000 0.000 3.406) 3.406 9.842 ( 0.000 0.000 -7.202) 7.202 10.886 ( 0.000 0.000 -8.153) 8.153 11.512 ( 0.000 0.000 -3.977) 3.977 13.820 ( 0.000 0.000 -8.074) 8.074 13.925 ( 0.000 0.000 -9.525) 9.525 15.851 ( 0.000 0.000 -3.591) 3.591 ======================= Grid point 84 (27/200) ======================= q-point: ( 0.11 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 19.793 -15.620 24.430) 35.108 1.099 ( 21.057 -16.826 25.247) 36.932 1.866 ( 35.914 -24.372 40.435) 59.319 3.489 ( -0.052 0.576 18.255) 18.264 3.932 ( -0.223 -5.544 3.986) 6.832 4.381 ( 6.858 -4.240 1.246) 8.159 4.998 ( 13.934 0.960 0.768) 13.988 5.459 ( -2.692 0.008 14.417) 14.666 5.980 ( -2.818 2.716 20.772) 21.138 7.648 ( -6.135 -1.845 -2.618) 6.921 8.322 ( -2.361 -7.417 0.385) 7.793 8.375 ( 12.164 1.183 -3.334) 12.668 8.564 ( -1.245 5.889 12.306) 13.699 8.660 ( 3.405 2.159 7.850) 8.825 9.299 ( 1.006 4.361 0.338) 4.488 9.594 ( -1.368 2.135 6.630) 7.098 9.620 ( -0.113 -0.429 4.855) 4.875 9.677 ( 0.179 -2.221 6.008) 6.408 9.800 ( 2.378 4.519 -3.729) 6.323 10.692 ( -16.238 7.078 -7.428) 19.208 11.524 ( -2.869 -6.693 -3.492) 8.076 13.803 ( 0.435 8.496 -8.348) 11.919 14.025 ( 10.364 -4.438 -9.127) 14.506 15.821 ( -5.313 -2.251 -6.789) 8.910 ======================= Grid point 85 (28/200) ======================= q-point: ( 0.22 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 22.985 -18.077 13.046) 32.020 1.694 ( 22.908 -18.648 13.800) 32.603 2.752 ( 32.551 -20.771 15.318) 41.541 3.532 ( 4.216 -2.336 19.954) 20.528 3.949 ( -3.282 -1.566 5.810) 6.854 4.657 ( 13.996 -15.566 1.817) 21.012 5.304 ( 19.520 3.899 2.850) 20.109 5.408 ( 2.172 -0.930 13.683) 13.886 5.891 ( -2.858 2.986 20.326) 20.742 7.521 ( -12.113 -2.481 -1.959) 12.519 8.371 ( -3.789 -8.502 -0.255) 9.311 8.490 ( 3.913 8.006 5.043) 10.240 8.517 ( 3.363 -0.646 3.513) 4.906 8.733 ( 5.545 -0.525 10.252) 11.667 9.096 ( -12.568 14.382 -1.896) 19.193 9.531 ( -2.411 2.773 6.185) 7.194 9.616 ( -0.945 -0.273 4.493) 4.599 9.691 ( 1.806 0.114 3.113) 3.601 9.925 ( 13.554 3.369 0.255) 13.969 10.281 ( -18.950 6.292 -5.831) 20.801 11.598 ( -3.035 -15.996 -2.548) 16.480 13.632 ( -1.724 18.660 -8.159) 20.438 14.314 ( 14.099 -7.617 -8.891) 18.326 15.729 ( -6.620 0.742 -9.193) 11.353 ======================= Grid point 86 (29/200) ======================= q-point: ( 0.33 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 16.827 -13.033 9.364) 23.253 2.244 ( 18.072 -15.495 7.352) 24.915 3.293 ( 13.005 -7.205 0.025) 14.868 3.681 ( 10.290 2.381 17.734) 20.641 3.884 ( -7.113 -6.285 11.519) 14.926 5.050 ( 0.361 -4.530 3.241) 5.582 5.464 ( 19.503 -19.867 15.222) 31.730 5.742 ( 15.926 3.831 7.344) 17.952 5.909 ( 16.736 -1.076 12.266) 20.777 7.302 ( -17.811 -2.625 -0.905) 18.026 8.272 ( -20.895 16.662 -2.855) 26.877 8.422 ( -2.694 2.153 6.216) 7.109 8.494 ( 2.002 2.306 1.316) 3.325 8.768 ( -1.072 0.011 3.338) 3.506 8.850 ( 3.067 0.630 9.647) 10.143 9.457 ( -2.483 2.430 5.534) 6.534 9.595 ( -1.592 0.525 2.285) 2.834 9.709 ( -3.095 1.832 3.155) 4.784 9.842 ( -8.429 1.109 -1.131) 8.577 10.234 ( 12.943 5.080 -2.249) 14.085 11.838 ( 2.553 -26.750 -2.350) 26.974 13.308 ( -5.659 26.153 -7.311) 27.739 14.632 ( 12.741 -7.268 -8.622) 17.014 15.590 ( -7.137 2.867 -10.990) 13.414 ======================= Grid point 87 (30/200) ======================= q-point: ( 0.44 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 6.035 -4.533 7.821) 10.869 2.609 ( 7.738 -7.161 3.058) 10.978 3.470 ( 3.751 -2.127 0.536) 4.345 3.669 ( -0.538 5.935 8.927) 10.733 3.950 ( 0.797 -6.277 19.016) 20.041 4.954 ( -4.198 2.493 8.931) 10.178 5.725 ( 0.587 0.394 13.481) 13.500 6.332 ( 22.151 -1.382 0.852) 22.211 6.381 ( 34.055 -30.630 7.993) 46.496 7.010 ( -14.960 2.050 1.082) 15.138 7.465 ( -34.717 27.893 1.200) 44.550 8.410 ( 0.158 0.120 5.155) 5.159 8.506 ( 0.385 -0.147 0.044) 0.415 8.810 ( 0.770 -2.937 5.645) 6.410 8.888 ( 1.673 1.104 8.425) 8.660 9.404 ( -0.996 1.171 5.403) 5.618 9.508 ( -5.260 1.501 -3.082) 6.278 9.611 ( -1.229 0.434 2.896) 3.176 9.844 ( 1.062 -1.456 3.958) 4.349 10.334 ( 4.878 3.339 -1.726) 6.158 12.288 ( 8.668 -31.002 -3.865) 32.422 12.847 ( -9.044 29.948 -5.821) 31.821 14.872 ( 6.534 -3.812 -7.492) 10.647 15.450 ( -4.527 2.333 -12.960) 13.925 ======================= Grid point 93 (31/200) ======================= q-point: ( 0.11 0.11 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 28.811 -0.000 15.215) 32.581 1.446 ( 29.581 -0.000 16.401) 33.823 2.461 ( 44.428 -0.000 25.119) 51.038 3.506 ( 2.742 -0.000 20.095) 20.281 3.969 ( 6.078 -0.000 3.076) 6.812 4.440 ( 5.311 -0.000 3.487) 6.354 5.362 ( 28.239 -0.000 0.376) 28.241 5.394 ( -5.236 0.000 15.213) 16.089 5.930 ( -4.514 0.000 20.771) 21.256 7.491 ( -12.035 0.000 -2.372) 12.267 8.244 ( -1.640 0.000 -1.124) 1.988 8.488 ( 1.354 -0.000 7.923) 8.038 8.681 ( 8.598 -0.000 10.544) 13.606 8.719 ( 2.729 -0.000 1.821) 3.281 9.273 ( -8.795 0.000 -0.908) 8.842 9.555 ( -3.523 0.000 0.292) 3.535 9.629 ( -0.076 0.000 12.981) 12.981 9.670 ( 0.965 -0.000 3.023) 3.173 9.995 ( 18.965 -0.000 -1.310) 19.010 10.336 ( -28.942 0.000 -6.181) 29.595 11.407 ( -6.117 0.000 -3.784) 7.193 13.967 ( 7.175 -0.000 -7.691) 10.518 14.120 ( 7.974 -0.000 -9.348) 12.287 15.701 ( -7.018 0.000 -9.613) 11.902 ======================= Grid point 94 (32/200) ======================= q-point: ( 0.22 0.11 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 25.038 -6.792 9.196) 27.525 1.974 ( 26.992 -6.616 9.083) 29.237 3.116 ( 25.009 -5.747 5.562) 26.256 3.615 ( 9.039 -2.655 23.130) 24.975 4.028 ( 6.592 10.477 3.148) 12.772 4.693 ( 16.027 -16.560 5.895) 23.788 5.289 ( -6.517 -0.629 17.733) 18.903 5.805 ( 4.992 1.374 12.149) 13.206 5.942 ( 27.185 1.573 6.939) 28.101 7.240 ( -19.309 -1.764 -2.019) 19.494 8.250 ( -1.334 -3.609 -2.999) 4.878 8.485 ( -1.668 0.291 10.270) 10.408 8.727 ( 6.076 7.895 1.822) 10.127 8.825 ( 5.167 0.150 9.958) 11.220 9.001 ( -14.692 10.103 0.254) 17.832 9.485 ( -4.529 0.312 1.169) 4.688 9.620 ( -0.423 1.410 9.106) 9.224 9.678 ( -4.090 -2.298 4.188) 6.289 9.836 ( -24.983 -1.600 -3.192) 25.237 10.377 ( 25.515 5.155 -2.779) 26.178 11.358 ( -5.976 -12.370 -3.393) 14.151 13.896 ( 2.897 22.640 -7.714) 24.093 14.373 ( 8.251 -14.634 -8.210) 18.698 15.574 ( -10.138 -2.238 -11.829) 15.739 ======================= Grid point 95 (33/200) ======================= q-point: ( 0.33 0.11 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 14.831 -5.968 7.009) 17.456 2.443 ( 19.530 -5.657 4.856) 20.904 3.419 ( 9.276 -2.349 0.027) 9.569 3.756 ( -1.702 -1.759 13.620) 13.838 4.031 ( 16.678 14.693 11.133) 24.859 4.993 ( -4.328 0.448 8.252) 9.329 5.536 ( 24.571 -27.348 13.297) 39.095 5.770 ( -1.693 -2.503 17.710) 17.966 6.463 ( 27.833 6.271 -0.579) 28.536 6.930 ( -17.324 -5.773 -0.399) 18.265 8.107 ( -20.863 18.760 -2.180) 28.141 8.370 ( -3.842 1.560 1.976) 4.593 8.610 ( -0.743 6.593 6.764) 9.474 8.804 ( 5.490 3.271 1.643) 6.598 8.929 ( 3.807 1.642 11.561) 12.282 9.399 ( -8.954 -2.379 0.395) 9.273 9.439 ( -14.751 -6.787 -0.629) 16.250 9.614 ( -0.547 0.753 6.462) 6.528 9.749 ( -1.665 -4.603 4.774) 6.837 10.574 ( 10.972 15.207 -3.290) 19.038 11.601 ( 7.962 -26.654 -3.961) 28.098 13.575 ( -3.295 30.635 -6.274) 31.444 14.669 ( 6.380 -13.593 -7.236) 16.669 15.419 ( -12.335 -3.815 -13.175) 18.447 ======================= Grid point 96 (34/200) ======================= q-point: ( 0.44 0.11 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 2.709 -0.408 6.953) 7.473 2.712 ( 8.022 1.600 2.259) 8.487 3.508 ( -1.473 0.576 -1.008) 1.876 3.676 ( 0.657 5.536 9.828) 11.299 4.181 ( 16.956 13.536 17.201) 27.688 4.892 ( -3.604 -2.153 9.874) 10.730 5.709 ( -2.277 -0.733 13.527) 13.737 6.273 ( -25.140 -4.486 0.576) 25.543 6.466 ( 23.604 -29.926 6.996) 38.751 7.123 ( 9.368 8.834 2.169) 13.058 7.351 ( -9.805 25.588 0.748) 27.413 8.357 ( -1.118 -1.671 -0.251) 2.026 8.590 ( 2.595 3.189 7.292) 8.371 8.871 ( 5.844 3.160 2.575) 7.125 8.935 ( 0.625 4.178 8.978) 9.922 9.305 ( -7.621 -10.780 -2.383) 13.415 9.392 ( -2.337 -5.041 3.629) 6.636 9.604 ( 0.190 0.345 3.189) 3.213 9.770 ( -3.820 -5.906 4.612) 8.411 10.463 ( -2.282 12.543 -1.925) 12.894 12.136 ( 15.276 -26.911 -5.678) 31.461 13.100 ( -6.790 34.300 -4.013) 35.196 14.846 ( -2.179 -6.382 -6.789) 9.570 15.302 ( -8.083 -9.348 -13.114) 18.019 ======================= Grid point 97 (35/200) ======================= q-point: (-0.44 0.11 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( -6.926 8.283 7.912) 13.385 2.622 ( -6.827 14.831 3.916) 16.790 3.411 ( -7.029 2.002 -1.129) 7.396 3.654 ( 2.336 4.890 10.152) 11.508 4.221 ( 11.431 18.821 16.238) 27.360 4.985 ( 6.647 -6.870 9.994) 13.830 5.645 ( -18.040 -3.480 4.485) 18.912 5.745 ( -25.089 0.476 10.326) 27.135 6.334 ( -24.561 33.448 9.607) 42.595 7.233 ( 21.307 -15.190 1.013) 26.187 7.751 ( 26.303 -14.287 -0.722) 29.941 8.358 ( -0.327 -1.292 -0.456) 1.409 8.596 ( 3.269 4.390 7.663) 9.417 8.848 ( -3.833 3.639 6.493) 8.372 8.911 ( 4.791 6.977 2.509) 8.827 9.360 ( -0.346 -6.631 2.836) 7.220 9.503 ( 3.163 -11.959 0.707) 12.391 9.615 ( 1.126 -0.806 1.748) 2.230 9.761 ( -4.668 -6.440 1.815) 8.158 10.248 ( -8.983 7.319 -0.567) 11.601 12.516 ( -2.735 20.935 -2.679) 21.283 12.756 ( 11.326 -10.965 -6.072) 16.893 14.718 ( -14.634 0.383 -9.279) 17.332 15.397 ( 0.711 -13.660 -9.176) 16.471 ======================= Grid point 98 (36/200) ======================= q-point: (-0.33 0.11 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -12.792 18.677 9.836) 24.683 2.202 ( -15.154 22.785 8.339) 28.606 3.181 ( -12.306 12.704 1.259) 17.731 3.611 ( -1.220 4.791 14.451) 15.274 4.178 ( 10.590 18.161 12.225) 24.319 5.004 ( -25.455 8.639 4.975) 27.338 5.205 ( -5.718 -4.375 5.587) 9.113 5.506 ( -10.362 9.723 8.232) 16.422 5.842 ( -4.748 2.547 20.604) 21.297 7.581 ( 13.551 1.002 -1.299) 13.650 8.257 ( 2.803 -12.570 -1.493) 12.965 8.452 ( 8.083 -7.735 2.461) 11.456 8.608 ( 5.923 4.955 3.687) 8.557 8.748 ( -1.967 0.899 4.785) 5.251 8.881 ( 2.442 6.189 2.678) 7.173 9.433 ( 0.609 -5.395 6.882) 8.765 9.596 ( -3.578 -5.170 -0.664) 6.322 9.647 ( -0.032 -0.567 3.180) 3.230 9.890 ( 2.247 -6.215 -0.547) 6.632 10.053 ( -3.551 -6.142 -2.192) 7.426 12.120 ( -1.952 27.521 -0.545) 27.596 13.192 ( 12.515 -17.981 -8.035) 23.334 14.421 ( -18.556 1.586 -9.985) 21.132 15.581 ( 2.408 -12.130 -6.261) 13.861 ======================= Grid point 99 (37/200) ======================= q-point: (-0.22 0.11 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -11.827 27.057 13.846) 32.614 1.645 ( -15.212 26.546 14.678) 33.935 2.658 ( -16.099 34.122 16.399) 41.139 3.527 ( -1.162 4.433 16.584) 17.205 4.152 ( 8.641 14.735 8.388) 19.030 4.530 ( -15.739 6.526 3.347) 17.364 4.996 ( -12.573 3.157 -2.113) 13.134 5.460 ( 3.267 0.160 16.430) 16.752 5.864 ( 0.466 -6.715 20.090) 21.187 7.724 ( 7.852 4.072 -3.179) 9.400 8.298 ( -4.476 -3.528 -1.571) 5.912 8.511 ( 0.178 1.916 5.604) 5.925 8.588 ( 1.762 7.264 3.894) 8.428 8.689 ( -2.079 9.165 6.178) 11.246 9.060 ( 4.362 -15.267 -2.175) 16.026 9.502 ( 0.400 -4.914 9.282) 10.510 9.606 ( -1.901 -7.754 -2.884) 8.488 9.660 ( 2.069 1.572 2.224) 3.420 9.766 ( -6.072 3.308 4.185) 8.083 10.374 ( 9.323 -19.619 -6.312) 22.620 11.837 ( 0.738 19.787 -1.098) 19.831 13.563 ( 11.649 -11.062 -8.687) 18.263 14.094 ( -18.083 0.839 -9.711) 20.542 15.749 ( 2.486 -9.260 -4.287) 10.503 ======================= Grid point 100 (38/200) ======================= q-point: (-0.11 0.11 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 0.000 27.835 22.162) 35.580 1.161 ( 0.000 27.096 23.331) 35.757 2.005 ( 0.000 44.776 35.296) 57.015 3.486 ( 0.000 0.994 16.760) 16.790 4.075 ( 0.000 12.430 4.253) 13.138 4.342 ( 0.000 3.317 1.931) 3.838 4.873 ( -0.000 -0.561 0.048) 0.563 5.484 ( 0.000 0.314 14.695) 14.698 5.952 ( -0.000 -5.874 20.498) 21.323 7.745 ( 0.000 4.137 -4.729) 6.284 8.243 ( 0.000 0.965 -1.949) 2.175 8.480 ( 0.000 14.376 0.772) 14.396 8.527 ( -0.000 -3.708 5.143) 6.340 8.604 ( -0.000 -0.135 13.969) 13.969 9.208 ( -0.000 -8.045 -0.410) 8.055 9.559 ( -0.000 -4.116 10.558) 11.332 9.653 ( 0.000 3.035 -0.109) 3.037 9.690 ( 0.000 1.225 7.385) 7.486 9.716 ( -0.000 -9.349 -6.041) 11.131 10.681 ( -0.000 -16.365 -7.175) 17.869 11.659 ( 0.000 12.698 -2.416) 12.926 13.810 ( -0.000 -1.202 -8.394) 8.479 13.873 ( -0.000 -4.336 -9.799) 10.716 15.861 ( -0.000 -4.610 -4.711) 6.591 ======================= Grid point 103 (39/200) ======================= q-point: ( 0.22 0.22 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 18.796 -0.000 6.590) 19.918 2.373 ( 23.926 -0.000 4.500) 24.345 3.382 ( 11.938 -0.000 0.291) 11.941 3.729 ( 5.167 -0.000 16.790) 17.567 4.312 ( 14.537 -0.000 -1.344) 14.599 4.949 ( 29.403 -0.000 14.398) 32.739 5.147 ( -8.804 0.000 19.561) 21.451 5.762 ( -3.946 0.000 16.908) 17.362 6.568 ( 38.470 -0.000 -0.647) 38.476 6.830 ( -28.340 0.000 -1.488) 28.379 8.230 ( 0.129 -0.000 -4.535) 4.537 8.451 ( -3.613 0.000 7.940) 8.723 8.806 ( -9.957 0.000 1.560) 10.079 8.877 ( 6.862 -0.000 1.336) 6.991 8.954 ( 3.425 -0.000 12.871) 13.319 9.217 ( -33.205 0.000 -2.160) 33.276 9.404 ( -5.083 0.000 0.732) 5.135 9.636 ( 0.207 -0.000 10.187) 10.189 9.680 ( -2.946 0.000 3.364) 4.472 10.931 ( 32.324 -0.000 -4.531) 32.640 11.116 ( -11.244 0.000 -3.473) 11.768 14.209 ( 6.368 -0.000 -6.942) 9.421 14.246 ( -1.699 0.000 -6.781) 6.990 15.356 ( -14.257 0.000 -13.045) 19.325 ======================= Grid point 104 (40/200) ======================= q-point: ( 0.33 0.22 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( 8.356 -0.924 6.227) 10.462 2.724 ( 17.254 0.105 1.773) 17.345 3.498 ( -0.978 -0.809 -1.171) 1.727 3.812 ( 9.650 4.030 11.922) 15.859 4.503 ( 17.332 8.942 1.337) 19.549 4.937 ( -5.802 8.819 18.316) 21.140 5.671 ( 27.376 -22.732 12.102) 37.585 5.704 ( -0.764 -4.186 14.946) 15.540 6.297 ( -33.808 -0.221 0.878) 33.820 7.164 ( 29.976 0.106 -1.098) 29.997 8.053 ( -15.066 24.403 -1.553) 28.721 8.353 ( -0.523 1.824 -0.503) 1.963 8.628 ( -2.677 1.600 6.648) 7.343 8.896 ( -18.408 -19.752 -0.744) 27.011 8.976 ( 5.922 3.341 3.749) 7.765 9.010 ( 3.887 1.172 8.767) 9.662 9.329 ( -4.310 -1.190 1.676) 4.775 9.612 ( -2.834 -0.015 4.239) 5.099 9.655 ( -2.319 -2.780 6.729) 7.641 10.811 ( -7.831 14.056 -3.175) 16.401 11.586 ( 25.408 -17.855 -5.800) 31.591 13.882 ( -4.249 31.122 -4.448) 31.724 14.531 ( 1.780 -20.813 -5.457) 21.590 15.111 ( -17.800 -4.789 -13.662) 22.944 ======================= Grid point 105 (41/200) ======================= q-point: (-0.56 0.22 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( 0.366 2.470 6.845) 7.287 2.892 ( 6.066 8.104 1.076) 10.180 3.406 ( -7.606 -1.457 -0.381) 7.754 3.899 ( 9.812 13.354 7.705) 18.275 4.709 ( 20.064 18.114 11.663) 29.440 4.781 ( -3.478 -6.239 11.515) 13.551 5.603 ( -17.882 0.310 5.401) 18.682 5.719 ( -22.037 -1.411 10.853) 24.605 6.541 ( 25.737 -30.375 6.291) 40.307 7.179 ( -19.470 28.136 3.979) 34.446 7.718 ( 16.710 7.930 -1.820) 18.585 8.364 ( 2.003 1.061 -1.354) 2.640 8.649 ( 2.827 -0.119 6.700) 7.273 8.937 ( -5.810 -11.966 0.461) 13.310 8.962 ( -0.977 -4.764 5.840) 7.600 9.106 ( 8.938 2.908 0.243) 9.403 9.306 ( -1.698 -4.137 3.907) 5.938 9.564 ( -6.240 -4.817 1.999) 8.132 9.651 ( -0.758 -1.071 5.057) 5.224 10.499 ( -11.281 11.794 -2.007) 16.443 12.200 ( 23.368 -16.770 -7.049) 29.614 13.398 ( -6.305 34.491 -1.581) 35.099 14.664 ( -10.894 -5.622 -7.954) 14.614 14.980 ( -9.057 -20.000 -9.377) 23.874 ======================= Grid point 106 (42/200) ======================= q-point: (-0.44 0.22 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( -4.349 9.966 7.691) 13.319 2.694 ( -8.863 18.547 3.839) 20.912 3.340 ( -2.380 1.584 -2.186) 3.598 3.825 ( 2.932 14.265 11.122) 18.324 4.616 ( 0.339 12.949 5.334) 14.009 5.049 ( 6.982 -9.702 13.253) 17.847 5.115 ( -15.444 9.300 9.086) 20.188 5.597 ( -6.694 -1.413 10.027) 12.139 6.329 ( -22.964 33.412 10.052) 41.770 7.355 ( 20.875 -24.062 0.883) 31.868 7.932 ( 8.173 -5.976 -2.102) 10.341 8.394 ( 3.845 1.025 -0.483) 4.008 8.677 ( 2.029 2.206 6.849) 7.476 8.841 ( -3.225 5.628 5.255) 8.348 9.107 ( 6.821 4.127 -0.856) 8.018 9.252 ( 1.932 -10.986 -1.278) 11.228 9.390 ( 1.376 -10.164 5.556) 11.665 9.536 ( -4.950 -10.762 -1.263) 11.913 9.661 ( 0.993 -0.460 2.946) 3.143 10.171 ( -12.626 9.372 -0.321) 15.728 12.689 ( 11.866 0.544 -5.176) 12.957 12.966 ( 4.829 18.603 -2.289) 19.355 14.405 ( -21.247 -2.365 -11.108) 24.092 15.176 ( -1.310 -21.953 -3.593) 22.283 ======================= Grid point 107 (43/200) ======================= q-point: (-0.33 0.22 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( -5.269 19.820 9.271) 22.506 2.256 ( -11.013 24.618 7.562) 28.009 3.213 ( -3.148 13.508 -0.362) 13.875 3.708 ( 0.857 11.107 15.038) 18.715 4.437 ( -11.290 -1.370 2.944) 11.747 4.799 ( 5.481 23.593 10.811) 26.524 5.231 ( -3.881 12.802 2.541) 13.616 5.470 ( -0.782 -0.111 12.966) 12.990 5.760 ( -10.444 5.276 20.337) 23.463 7.778 ( 10.777 -2.532 -2.205) 11.288 8.134 ( -0.241 -14.431 -3.352) 14.817 8.494 ( 5.419 -3.572 3.952) 7.599 8.647 ( -3.121 2.770 4.114) 5.860 8.778 ( 2.415 -0.930 2.029) 3.288 9.079 ( 4.538 15.824 -0.963) 16.489 9.366 ( 0.426 -6.901 4.850) 8.446 9.434 ( -4.525 -6.806 0.812) 8.213 9.677 ( 2.293 -0.551 2.486) 3.426 9.797 ( 3.269 -19.229 -2.237) 19.633 9.903 ( -8.278 0.296 -0.096) 8.284 12.419 ( -1.489 28.729 1.202) 28.793 13.309 ( 20.494 -9.939 -8.968) 24.479 14.063 ( -22.920 -3.120 -10.759) 25.511 15.408 ( -0.112 -19.292 -1.112) 19.325 ======================= Grid point 108 (44/200) ======================= q-point: (-0.22 0.22 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 0.000 26.960 11.858) 29.452 1.833 ( 0.000 28.405 11.898) 30.796 2.928 ( 0.000 28.499 7.755) 29.536 3.595 ( 0.000 8.483 16.450) 18.508 4.368 ( -0.000 -3.022 2.814) 4.129 4.553 ( 0.000 31.354 12.795) 33.864 4.941 ( 0.000 8.023 -4.353) 9.128 5.506 ( 0.000 2.042 17.143) 17.264 5.758 ( -0.000 -10.428 19.845) 22.418 7.848 ( 0.000 3.861 -4.075) 5.614 8.230 ( -0.000 -4.374 -2.973) 5.289 8.543 ( 0.000 3.879 -0.232) 3.886 8.593 ( -0.000 -1.570 13.481) 13.572 8.900 ( 0.000 19.837 -0.819) 19.854 8.917 ( -0.000 -14.024 -2.424) 14.232 9.443 ( -0.000 -5.650 8.495) 10.202 9.485 ( -0.000 -8.752 -2.355) 9.063 9.706 ( 0.000 0.224 5.543) 5.547 9.746 ( 0.000 4.242 -0.345) 4.256 10.166 ( -0.000 -26.319 -5.393) 26.866 12.097 ( 0.000 24.238 0.472) 24.243 13.736 ( -0.000 -6.884 -10.417) 12.487 13.751 ( -0.000 -3.979 -9.151) 9.979 15.615 ( -0.000 -15.649 -0.735) 15.666 ======================= Grid point 113 (45/200) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 2.795 -0.000 6.645) 7.209 2.993 ( 14.078 -0.000 -0.634) 14.092 3.378 ( -10.853 0.000 0.305) 10.857 4.119 ( 20.221 -0.000 8.683) 22.006 4.590 ( -6.462 0.000 7.972) 10.262 5.077 ( 3.221 -0.000 6.859) 7.578 5.632 ( -4.571 0.000 12.181) 13.010 5.745 ( -24.716 0.000 5.405) 25.300 6.004 ( 28.800 -0.000 12.264) 31.302 7.487 ( 4.939 -0.000 0.178) 4.943 8.202 ( -27.012 0.000 0.445) 27.015 8.242 ( 10.764 -0.000 -4.396) 11.627 8.394 ( 2.680 -0.000 1.395) 3.021 8.705 ( 2.244 -0.000 4.094) 4.669 9.024 ( -0.344 0.000 11.067) 11.072 9.157 ( 7.542 -0.000 -0.649) 7.570 9.264 ( -0.724 0.000 2.621) 2.719 9.491 ( -8.515 0.000 3.392) 9.166 9.646 ( 0.562 -0.000 5.165) 5.196 10.670 ( -15.313 0.000 -2.887) 15.582 11.977 ( 29.866 -0.000 -7.128) 30.705 14.040 ( -8.807 0.000 -0.815) 8.845 14.360 ( 2.760 -0.000 -3.991) 4.853 14.742 ( -22.450 0.000 -13.651) 26.274 ======================= Grid point 114 (46/200) ======================= q-point: (-0.56 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( -0.150 2.542 7.096) 7.540 3.059 ( -3.691 12.584 0.595) 13.128 3.283 ( 1.561 -6.122 -2.048) 6.642 4.232 ( 3.657 18.792 10.719) 21.941 4.623 ( -2.558 -11.356 6.374) 13.271 4.827 ( -19.127 -5.031 9.905) 22.119 5.515 ( 0.206 9.016 6.109) 10.893 5.611 ( 7.901 12.087 10.309) 17.742 6.604 ( 20.317 -23.098 7.376) 31.634 7.207 ( -15.628 26.551 3.639) 31.024 7.846 ( -8.819 -5.738 -0.473) 10.532 8.420 ( 2.981 0.317 1.748) 3.470 8.646 ( 11.026 -15.402 -3.303) 19.227 8.757 ( 3.636 -1.604 1.650) 4.303 8.977 ( -2.277 3.904 7.664) 8.898 9.190 ( -1.609 -2.948 0.941) 3.487 9.344 ( -1.345 -0.679 4.419) 4.669 9.388 ( 3.521 -0.597 -0.200) 3.577 9.658 ( 0.928 -0.055 3.158) 3.292 10.370 ( -15.783 5.636 -2.095) 16.890 12.500 ( 27.560 -6.016 -8.248) 29.391 13.676 ( -6.317 29.450 1.445) 30.155 14.348 ( -22.664 -1.717 -11.885) 25.649 14.595 ( -2.288 -25.217 -2.386) 25.433 ======================= Grid point 115 (47/200) ======================= q-point: (-0.44 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( -1.393 8.174 7.534) 11.203 2.759 ( -7.978 17.585 3.095) 19.557 3.382 ( 4.076 2.157 -4.391) 6.368 4.038 ( 0.329 14.808 14.547) 20.761 4.318 ( -22.151 -3.724 6.209) 23.304 5.035 ( 10.954 -9.680 9.357) 17.356 5.408 ( -6.341 0.582 4.956) 8.069 5.609 ( 16.555 23.088 11.974) 30.830 6.371 ( -20.075 36.929 10.431) 43.308 7.358 ( 15.907 -28.084 -0.068) 32.276 7.849 ( -5.959 -11.507 -1.363) 13.030 8.465 ( 2.882 -0.027 4.679) 5.496 8.736 ( 1.038 4.350 0.117) 4.474 8.867 ( -1.792 5.444 3.655) 6.797 9.056 ( 5.666 -19.246 -3.681) 20.398 9.224 ( -0.328 -5.444 2.043) 5.824 9.288 ( -5.635 -5.822 3.130) 8.686 9.517 ( 10.345 5.412 -0.742) 11.699 9.680 ( 1.582 -0.388 2.670) 3.127 10.041 ( -14.057 6.442 -0.758) 15.482 12.970 ( 18.352 4.164 -6.261) 19.833 13.281 ( 4.324 20.851 -0.568) 21.302 13.974 ( -25.328 -3.826 -11.338) 28.013 14.874 ( -0.828 -25.409 0.429) 25.426 ======================= Grid point 116 (48/200) ======================= q-point: (-0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 0.000 15.180 8.325) 17.313 2.442 ( 0.000 22.937 5.760) 23.649 3.338 ( 0.000 9.713 -3.471) 10.315 3.880 ( 0.000 15.607 17.403) 23.376 4.199 ( -0.000 -10.099 4.478) 11.048 5.189 ( 0.000 9.402 -5.411) 10.848 5.314 ( 0.000 4.062 10.024) 10.816 5.644 ( 0.000 12.339 15.059) 19.468 5.655 ( 0.000 27.587 21.144) 34.758 7.861 ( -0.000 -26.848 -3.600) 27.088 7.866 ( -0.000 -4.186 -1.957) 4.620 8.512 ( -0.000 -2.638 8.125) 8.543 8.669 ( 0.000 6.308 -1.990) 6.614 8.800 ( 0.000 2.809 2.328) 3.648 9.271 ( 0.000 0.843 -3.067) 3.180 9.293 ( -0.000 -6.721 4.246) 7.950 9.304 ( -0.000 -7.074 -0.097) 7.074 9.599 ( -0.000 -10.525 -1.647) 10.653 9.709 ( 0.000 0.214 4.626) 4.631 9.839 ( 0.000 3.392 -0.799) 3.485 12.753 ( 0.000 30.351 2.162) 30.428 13.575 ( -0.000 -6.289 -10.988) 12.660 13.636 ( -0.000 -5.048 -9.308) 10.589 15.153 ( -0.000 -23.287 1.141) 23.315 ======================= Grid point 123 (49/200) ======================= q-point: ( 0.44 -0.56 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( -0.170 0.000 7.271) 7.273 3.000 ( -8.163 0.000 0.744) 8.197 3.379 ( 9.691 -0.000 -4.461) 10.669 4.146 ( -20.994 0.000 5.119) 21.609 4.449 ( -10.470 0.000 22.369) 24.698 4.779 ( 16.297 -0.000 6.994) 17.734 5.410 ( -8.454 0.000 7.035) 10.998 6.051 ( 16.687 -0.000 -0.510) 16.695 6.757 ( 16.788 -0.000 8.662) 18.891 7.218 ( -12.012 0.000 3.832) 12.608 7.451 ( -16.148 0.000 1.889) 16.258 8.464 ( 1.947 -0.000 5.562) 5.893 8.761 ( 8.411 -0.000 -4.910) 9.739 8.829 ( 4.657 -0.000 -0.810) 4.727 8.966 ( -1.976 0.000 4.419) 4.841 9.135 ( -1.903 0.000 1.184) 2.241 9.195 ( -6.224 0.000 3.338) 7.062 9.608 ( 13.919 -0.000 -0.191) 13.921 9.671 ( 0.651 -0.000 2.099) 2.197 10.131 ( -16.265 0.000 -1.690) 16.353 12.940 ( 28.590 -0.000 -9.588) 30.155 13.797 ( -4.315 0.000 4.992) 6.599 13.892 ( -27.770 0.000 -12.214) 30.337 14.414 ( 0.631 -0.000 -0.423) 0.759 ======================= Grid point 125 (50/200) ======================= q-point: (-0.44 0.44 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( 0.000 4.153 7.387) 8.475 2.861 ( 0.000 11.061 1.624) 11.180 3.471 ( 0.000 2.495 -6.728) 7.176 3.970 ( -0.000 -7.232 6.597) 9.789 4.273 ( 0.000 14.751 22.243) 26.690 5.034 ( -0.000 -13.208 10.348) 16.779 5.303 ( 0.000 1.584 3.929) 4.236 6.074 ( 0.000 19.134 1.252) 19.175 6.639 ( 0.000 40.973 11.334) 42.512 7.196 ( -0.000 -24.098 -0.320) 24.100 7.545 ( -0.000 -24.139 2.180) 24.237 8.483 ( -0.000 -0.392 7.100) 7.110 8.802 ( 0.000 3.605 -2.580) 4.433 8.911 ( 0.000 4.970 2.318) 5.484 8.936 ( -0.000 -9.878 -3.575) 10.505 9.150 ( -0.000 -5.502 1.116) 5.614 9.174 ( -0.000 -4.197 3.555) 5.500 9.672 ( 0.000 1.224 0.971) 1.562 9.781 ( 0.000 5.554 0.529) 5.579 9.895 ( 0.000 1.270 -1.264) 1.792 13.340 ( 0.000 10.556 -6.636) 12.469 13.467 ( -0.000 -2.542 -11.281) 11.564 13.644 ( 0.000 12.078 0.883) 12.110 14.579 ( -0.000 -22.465 1.102) 22.492 ======================= Grid point 166 (51/200) ======================= q-point: ( 0.00 0.00 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 0.000 0.000 33.885) 33.885 1.502 ( 0.000 0.000 35.600) 35.600 2.407 ( 0.000 0.000 46.939) 46.939 4.004 ( 0.000 0.000 9.305) 9.305 4.041 ( 0.000 0.000 36.706) 36.706 4.366 ( 0.000 0.000 5.200) 5.200 4.927 ( 0.000 0.000 3.028) 3.028 5.857 ( 0.000 0.000 23.317) 23.317 6.578 ( 0.000 0.000 33.956) 33.956 7.614 ( 0.000 0.000 -4.853) 4.853 8.223 ( 0.000 0.000 1.049) 1.049 8.360 ( 0.000 0.000 5.202) 5.202 8.736 ( 0.000 0.000 4.177) 4.177 8.928 ( 0.000 0.000 16.812) 16.812 9.295 ( 0.000 0.000 -2.727) 2.727 9.608 ( 0.000 0.000 0.123) 0.123 9.674 ( 0.000 0.000 -6.891) 6.891 9.742 ( 0.000 0.000 5.859) 5.859 10.084 ( 0.000 0.000 28.433) 28.433 10.648 ( 0.000 0.000 -15.746) 15.746 11.397 ( 0.000 0.000 -7.490) 7.490 13.586 ( 0.000 0.000 -15.468) 15.468 13.651 ( 0.000 0.000 -17.972) 17.972 15.743 ( 0.000 0.000 -7.306) 7.306 ======================= Grid point 167 (52/200) ======================= q-point: ( 0.11 0.00 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 9.307 -7.251 29.995) 32.231 1.664 ( 11.762 -9.759 29.839) 33.526 2.657 ( 17.463 -11.035 35.432) 41.014 3.940 ( 2.343 5.870 19.462) 20.462 4.146 ( -2.143 -11.337 23.736) 26.392 4.470 ( 9.596 -5.067 10.129) 14.844 5.030 ( 13.597 1.600 2.596) 13.935 5.848 ( -1.606 -0.670 23.923) 23.986 6.528 ( -3.154 3.641 32.942) 33.292 7.580 ( -5.723 -2.302 -4.188) 7.456 8.309 ( 4.379 -2.014 -0.370) 4.834 8.400 ( 4.087 -3.974 4.502) 7.264 8.707 ( 0.885 5.732 5.263) 7.832 8.955 ( 3.133 -0.011 17.851) 18.124 9.250 ( -2.399 6.591 -6.360) 9.469 9.606 ( -1.438 -0.982 -0.366) 1.779 9.679 ( 3.796 3.036 -2.220) 5.344 9.748 ( 1.561 -0.279 6.031) 6.236 10.064 ( 0.463 3.889 24.929) 25.235 10.478 ( -14.567 5.845 -13.824) 20.916 11.426 ( -2.758 -9.099 -6.124) 11.309 13.559 ( 0.463 8.901 -16.097) 18.400 13.756 ( 10.612 -4.495 -17.721) 21.139 15.674 ( -8.297 -1.028 -8.396) 11.849 ======================= Grid point 168 (53/200) ======================= q-point: ( 0.22 0.00 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 16.718 -13.484 19.626) 29.095 2.045 ( 15.253 -13.983 20.465) 29.103 3.078 ( 16.084 -8.246 16.205) 24.275 3.954 ( 5.657 4.448 16.557) 18.053 4.209 ( -3.939 -9.525 21.425) 23.775 4.815 ( 16.162 -15.749 18.087) 28.920 5.338 ( 26.457 3.521 2.071) 26.770 5.819 ( -2.740 -1.116 25.338) 25.510 6.412 ( -4.025 4.343 30.168) 30.743 7.476 ( -11.417 -4.161 -2.073) 12.327 8.358 ( -3.856 -7.136 -0.264) 8.116 8.540 ( 8.296 4.418 3.362) 9.983 8.659 ( 0.970 3.907 6.730) 7.842 8.954 ( -6.160 8.594 1.012) 10.622 9.087 ( 1.141 5.599 10.429) 11.892 9.579 ( -3.090 -1.087 0.688) 3.347 9.712 ( 4.251 4.483 2.334) 6.604 9.825 ( 6.436 1.210 8.050) 10.377 9.998 ( -5.528 5.752 3.596) 8.751 10.150 ( -8.842 4.058 -0.957) 9.776 11.534 ( -3.328 -18.987 -3.401) 19.575 13.396 ( -0.913 18.366 -15.513) 24.058 14.047 ( 14.861 -6.755 -17.925) 24.244 15.515 ( -11.303 -0.292 -11.826) 16.361 ======================= Grid point 169 (54/200) ======================= q-point: ( 0.33 0.00 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 14.683 -11.476 13.438) 22.976 2.441 ( 12.127 -12.601 12.167) 21.305 3.346 ( 8.783 -3.016 4.490) 10.315 3.970 ( 2.961 6.584 14.043) 15.790 4.293 ( -0.023 -12.024 24.440) 27.238 5.209 ( 5.559 -7.748 14.309) 17.196 5.810 ( 29.309 4.480 2.818) 29.783 5.868 ( 12.410 -9.094 23.947) 28.464 6.347 ( -0.332 -2.941 27.151) 27.312 7.296 ( -16.339 -4.540 1.174) 16.998 8.219 ( -18.533 14.463 -1.996) 23.594 8.526 ( -5.765 0.972 3.525) 6.827 8.550 ( 3.577 6.915 4.382) 8.934 8.849 ( 3.027 -2.875 4.292) 5.988 9.109 ( 3.415 3.753 15.444) 16.256 9.543 ( -3.182 -2.332 2.402) 4.619 9.612 ( -9.111 6.779 -3.489) 11.880 9.777 ( -5.405 4.361 4.430) 8.238 9.910 ( 5.876 1.052 9.013) 10.811 10.194 ( 9.528 2.175 -0.447) 9.783 11.781 ( 0.308 -27.998 -2.935) 28.154 13.097 ( -3.825 25.711 -13.698) 29.383 14.375 ( 14.728 -6.279 -17.266) 23.546 15.313 ( -11.972 1.428 -16.029) 20.057 ======================= Grid point 170 (55/200) ======================= q-point: ( 0.44 0.00 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( 5.751 -4.132 12.437) 14.312 2.697 ( 4.574 -5.545 5.878) 9.285 3.465 ( 3.144 -0.688 -0.880) 3.337 3.922 ( -0.300 3.296 16.511) 16.840 4.455 ( 2.951 -7.361 29.260) 30.315 5.177 ( -4.359 3.332 12.775) 13.904 6.005 ( 5.379 0.403 11.987) 13.145 6.355 ( 17.724 2.560 2.211) 18.044 6.679 ( 22.568 -27.513 21.924) 41.796 7.071 ( -11.260 -1.503 6.094) 12.891 7.525 ( -29.380 26.338 5.581) 39.850 8.507 ( -1.321 -2.303 4.077) 4.865 8.538 ( 1.568 2.550 3.340) 4.486 8.961 ( 2.872 -5.546 8.076) 10.209 9.084 ( 0.067 5.307 10.619) 11.871 9.415 ( -5.407 1.990 -6.324) 8.555 9.543 ( -0.799 -2.735 7.585) 8.102 9.666 ( -1.489 4.723 3.406) 6.010 9.986 ( 2.669 -0.329 10.062) 10.415 10.295 ( 4.194 1.373 -1.624) 4.702 12.184 ( 5.024 -30.931 -6.256) 31.955 12.682 ( -6.048 29.522 -10.535) 31.924 14.654 ( 9.886 -3.761 -14.395) 17.863 15.104 ( -8.895 2.096 -20.884) 22.796 ======================= Grid point 176 (56/200) ======================= q-point: ( 0.11 0.11 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 17.326 -0.000 24.428) 29.949 1.854 ( 18.183 -0.000 23.380) 29.618 2.962 ( 22.281 -0.000 22.897) 31.949 4.049 ( 2.024 -0.000 30.150) 30.218 4.074 ( 4.447 -0.000 7.864) 9.034 4.616 ( 13.592 -0.000 18.100) 22.636 5.382 ( 26.943 -0.000 1.830) 27.005 5.804 ( -3.274 0.000 25.174) 25.386 6.472 ( -5.750 0.000 32.307) 32.814 7.420 ( -12.001 0.000 -4.852) 12.944 8.250 ( -3.430 0.000 1.895) 3.919 8.570 ( 10.078 -0.000 2.762) 10.450 8.775 ( 2.536 -0.000 3.945) 4.690 9.010 ( 2.780 -0.000 16.098) 16.337 9.213 ( -5.961 0.000 -2.807) 6.588 9.564 ( -3.001 0.000 0.639) 3.068 9.757 ( 0.663 -0.000 5.539) 5.579 9.837 ( 10.460 -0.000 2.503) 10.756 10.126 ( 5.665 -0.000 20.227) 21.006 10.156 ( -25.760 0.000 -11.927) 28.387 11.297 ( -5.905 0.000 -7.231) 9.336 13.734 ( 7.573 -0.000 -15.611) 17.351 13.851 ( 8.832 -0.000 -17.495) 19.598 15.489 ( -12.085 0.000 -11.501) 16.683 ======================= Grid point 177 (57/200) ======================= q-point: ( 0.22 0.11 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 18.987 -6.479 16.139) 25.748 2.213 ( 19.015 -5.850 14.494) 24.615 3.280 ( 13.261 -1.912 9.970) 16.700 4.096 ( -1.547 -2.327 19.326) 19.527 4.144 ( 9.567 3.747 11.242) 15.230 4.975 ( 21.961 -7.934 24.613) 33.927 5.746 ( -3.302 -2.025 27.283) 27.557 5.887 ( 32.748 1.845 1.640) 32.841 6.362 ( -4.802 1.696 28.331) 28.785 7.184 ( -18.447 -3.484 -3.332) 19.067 8.222 ( -3.095 -3.314 0.575) 4.571 8.651 ( -2.269 1.957 5.411) 6.185 8.785 ( 5.046 7.393 3.864) 9.749 8.916 ( -8.089 6.649 -2.211) 10.702 9.186 ( 4.798 2.641 18.820) 19.601 9.507 ( -4.168 -0.738 1.312) 4.432 9.663 ( -22.827 -1.278 -5.338) 23.477 9.802 ( -3.874 -0.765 3.144) 5.048 9.933 ( 1.461 1.055 16.294) 16.394 10.322 ( 19.483 6.038 -1.178) 20.431 11.263 ( -6.046 -13.988 -5.924) 16.350 13.673 ( 4.347 22.163 -14.603) 26.895 14.133 ( 10.000 -14.328 -15.950) 23.658 15.285 ( -14.011 -2.051 -16.416) 21.679 ======================= Grid point 178 (58/200) ======================= q-point: ( 0.33 0.11 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( 12.175 -6.707 11.731) 18.189 2.574 ( 15.028 -5.165 7.982) 17.783 3.450 ( 5.764 -0.582 2.694) 6.389 4.024 ( -3.577 4.074 14.060) 15.070 4.348 ( 14.760 -1.946 17.851) 23.244 5.268 ( 3.379 4.914 20.313) 21.170 5.900 ( 12.964 -13.004 21.692) 28.420 6.215 ( 0.340 -6.917 25.091) 26.029 6.459 ( 21.945 5.963 0.518) 22.747 6.940 ( -13.115 -8.185 2.476) 15.656 8.086 ( -16.313 15.038 0.976) 22.208 8.399 ( -8.570 3.244 1.370) 9.266 8.771 ( 5.086 9.241 6.955) 12.634 8.864 ( 3.358 -1.477 4.874) 6.100 9.208 ( 1.911 4.212 15.265) 15.950 9.337 ( -18.372 -7.050 -5.446) 20.418 9.470 ( -3.610 -3.242 2.727) 5.566 9.771 ( -2.058 1.992 8.660) 9.121 9.926 ( -1.799 -2.040 13.288) 13.564 10.482 ( 11.258 13.223 -5.843) 18.323 11.493 ( 4.924 -26.863 -6.642) 28.107 13.398 ( -0.275 29.858 -11.387) 31.956 14.460 ( 9.132 -13.115 -13.744) 21.078 15.072 ( -15.106 -3.539 -20.779) 25.932 ======================= Grid point 179 (59/200) ======================= q-point: ( 0.44 0.11 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( 2.257 -1.594 10.092) 10.463 2.788 ( 6.952 1.354 5.977) 9.267 3.483 ( -1.917 0.693 -1.602) 2.593 3.930 ( -0.696 4.349 15.796) 16.398 4.630 ( 16.975 4.279 25.293) 30.760 5.147 ( -4.328 3.332 15.262) 16.210 5.993 ( -8.195 0.505 11.721) 14.311 6.308 ( -17.453 -3.090 3.993) 18.169 6.718 ( 17.481 -24.585 19.233) 35.776 7.189 ( 23.058 -1.736 4.101) 23.484 7.422 ( -20.205 29.076 8.139) 36.330 8.356 ( -2.979 -4.405 0.893) 5.392 8.761 ( 6.552 9.303 7.498) 13.627 8.957 ( 3.639 -3.028 6.519) 8.057 9.124 ( -4.773 5.624 7.418) 10.461 9.239 ( -5.968 -11.224 -2.566) 12.969 9.485 ( -0.843 -5.829 5.122) 7.805 9.692 ( -2.094 4.114 6.278) 7.792 9.911 ( -5.710 -4.790 8.891) 11.601 10.420 ( -0.493 10.369 -1.852) 10.544 11.975 ( 12.288 -27.065 -10.397) 31.490 12.990 ( -2.763 33.901 -6.774) 34.682 14.648 ( -5.613 -4.373 -13.324) 15.105 14.951 ( -2.588 -10.391 -21.090) 23.653 ======================= Grid point 180 (60/200) ======================= q-point: (-0.44 0.11 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( -6.402 6.765 10.541) 14.066 2.741 ( -3.904 11.423 8.406) 14.710 3.397 ( -6.185 0.939 -0.489) 6.275 3.905 ( 1.712 2.408 15.312) 15.594 4.653 ( 4.004 17.905 24.816) 30.862 5.231 ( 9.164 -5.281 14.020) 17.562 5.700 ( -28.005 -3.872 2.015) 28.343 6.045 ( -12.759 2.912 17.702) 22.015 6.664 ( -17.399 24.185 23.610) 38.014 7.291 ( 17.727 -9.863 5.682) 21.066 7.743 ( 23.784 -15.157 0.244) 28.203 8.362 ( -2.192 -4.418 1.443) 5.139 8.760 ( 7.145 11.036 6.521) 14.676 8.965 ( -6.187 5.555 4.523) 9.466 9.028 ( 0.722 -2.179 9.721) 9.988 9.361 ( 1.683 -13.971 -3.106) 14.411 9.579 ( 2.974 -6.143 6.570) 9.474 9.634 ( -0.738 -0.357 0.459) 0.940 9.840 ( -8.839 -4.410 5.695) 11.403 10.256 ( -6.631 6.498 2.313) 9.568 12.420 ( 5.059 -0.270 -8.265) 9.694 12.608 ( 5.214 10.585 -7.130) 13.787 14.438 ( -17.662 -0.401 -18.941) 25.901 15.165 ( 7.625 -11.575 -13.377) 19.263 ======================= Grid point 181 (61/200) ======================= q-point: (-0.33 0.11 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( -10.765 15.389 13.633) 23.207 2.426 ( -11.857 17.346 13.486) 24.967 3.255 ( -7.168 5.512 5.649) 10.662 3.903 ( 0.236 1.388 14.963) 15.029 4.504 ( 2.807 14.532 17.266) 22.741 5.239 ( -28.417 -0.709 9.291) 29.906 5.270 ( -4.163 15.756 14.168) 21.595 5.846 ( -1.487 1.293 22.809) 22.894 6.343 ( -4.165 1.428 28.509) 28.847 7.571 ( 11.993 2.429 1.133) 12.289 8.238 ( 4.349 -16.158 -1.024) 16.765 8.441 ( 6.956 -9.060 -0.793) 11.450 8.733 ( 5.949 12.497 5.308) 14.824 8.813 ( -4.611 1.625 1.309) 5.061 9.028 ( -2.601 -0.692 12.905) 13.183 9.533 ( -1.294 -10.688 0.724) 10.790 9.602 ( 0.203 0.431 1.869) 1.929 9.758 ( -3.706 -3.725 8.204) 9.742 9.821 ( 7.209 -12.872 -6.221) 16.011 10.078 ( -7.136 1.609 5.902) 9.399 12.116 ( -0.055 29.185 0.493) 29.189 12.960 ( 11.111 -17.779 -15.229) 25.913 14.126 ( -19.362 0.253 -19.603) 27.554 15.421 ( 8.105 -9.112 -9.433) 15.418 ======================= Grid point 182 (62/200) ======================= q-point: (-0.22 0.11 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -8.129 19.502 20.146) 29.194 2.010 ( -11.326 18.150 20.756) 29.808 3.010 ( -7.673 14.811 17.609) 24.255 3.880 ( -0.922 0.983 16.270) 16.326 4.417 ( 3.640 9.810 12.712) 16.464 4.764 ( -12.739 19.794 27.126) 35.916 4.986 ( -12.249 0.859 1.621) 12.386 5.874 ( 2.264 1.205 24.392) 24.527 6.379 ( 0.867 -8.210 29.803) 30.925 7.672 ( 6.001 4.877 -1.353) 7.850 8.289 ( -5.768 -3.674 0.444) 6.853 8.581 ( -0.124 -1.388 2.959) 3.270 8.649 ( 3.090 13.339 3.388) 14.105 8.917 ( 1.843 -8.348 5.771) 10.314 8.995 ( -0.898 -7.845 2.690) 8.342 9.548 ( -3.861 -5.467 -1.752) 6.918 9.648 ( 2.697 -0.992 3.275) 4.357 9.744 ( -2.893 -0.784 7.477) 8.055 9.945 ( -1.709 -4.223 11.871) 12.716 10.207 ( 7.910 -16.600 -8.762) 20.369 11.819 ( 1.148 23.322 -0.193) 23.351 13.312 ( 10.507 -11.487 -16.539) 22.713 13.809 ( -17.829 -0.213 -18.749) 25.874 15.634 ( 6.201 -6.089 -7.260) 11.324 ======================= Grid point 183 (63/200) ======================= q-point: (-0.11 0.11 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 0.000 14.708 28.497) 32.069 1.686 ( 0.000 15.929 27.645) 31.906 2.712 ( 0.000 20.397 32.208) 38.123 3.873 ( -0.000 -2.104 18.065) 18.187 4.383 ( 0.000 21.025 31.171) 37.599 4.405 ( 0.000 2.978 4.679) 5.546 4.895 ( -0.000 -2.273 2.373) 3.286 5.874 ( 0.000 1.388 23.714) 23.755 6.489 ( -0.000 -7.269 31.874) 32.693 7.667 ( 0.000 4.220 -3.143) 5.262 8.233 ( 0.000 0.515 0.802) 0.953 8.516 ( 0.000 12.380 3.203) 12.787 8.628 ( -0.000 -5.841 5.552) 8.058 8.920 ( -0.000 -0.583 16.454) 16.464 9.162 ( -0.000 -11.299 -5.879) 12.737 9.586 ( -0.000 -5.432 -4.823) 7.264 9.662 ( 0.000 3.127 1.690) 3.555 9.721 ( -0.000 -2.039 6.738) 7.040 10.001 ( -0.000 -6.017 21.042) 21.886 10.475 ( -0.000 -14.225 -12.970) 19.250 11.598 ( 0.000 16.487 -3.164) 16.788 13.566 ( -0.000 -1.949 -16.127) 16.244 13.591 ( -0.000 -4.916 -18.416) 19.061 15.743 ( -0.000 -2.232 -7.396) 7.725 ======================= Grid point 186 (64/200) ======================= q-point: ( 0.22 0.22 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( 16.182 -0.000 11.514) 19.860 2.499 ( 18.148 -0.000 8.062) 19.858 3.442 ( 7.115 -0.000 4.886) 8.631 4.077 ( -0.051 0.000 17.488) 17.488 4.330 ( 11.233 -0.000 3.607) 11.798 5.387 ( 30.200 -0.000 29.100) 41.939 5.637 ( -6.721 0.000 28.605) 29.384 6.181 ( -3.871 0.000 22.638) 22.966 6.579 ( 33.467 -0.000 3.215) 33.621 6.786 ( -26.005 0.000 -2.838) 26.159 8.177 ( -0.972 0.000 -0.149) 0.983 8.563 ( -10.186 0.000 2.441) 10.474 8.870 ( -2.051 0.000 4.469) 4.917 8.916 ( 5.843 -0.000 2.520) 6.363 9.156 ( -30.007 0.000 -3.781) 30.245 9.280 ( 3.266 -0.000 19.101) 19.378 9.430 ( -4.366 0.000 1.957) 4.785 9.766 ( -2.458 0.000 4.927) 5.506 9.921 ( -2.794 0.000 18.097) 18.312 10.805 ( 29.007 -0.000 -7.926) 30.071 11.015 ( -10.893 0.000 -6.644) 12.760 14.009 ( 8.177 -0.000 -13.066) 15.414 14.053 ( 2.150 -0.000 -12.403) 12.588 15.015 ( -16.679 0.000 -20.233) 26.222 ======================= Grid point 187 (65/200) ======================= q-point: ( 0.33 0.22 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( 8.448 -1.016 9.889) 13.046 2.779 ( 13.580 -1.070 3.825) 14.149 3.492 ( -1.776 0.166 0.513) 1.856 4.083 ( 5.403 6.466 14.742) 16.980 4.577 ( 15.721 -5.506 5.800) 17.638 5.395 ( -5.146 14.520 26.590) 30.730 6.011 ( 16.711 -10.102 20.853) 28.569 6.071 ( -5.164 -5.300 18.513) 19.937 6.349 ( -22.310 -5.006 6.791) 23.852 7.150 ( 30.059 -1.114 0.204) 30.080 8.049 ( -11.660 18.914 2.300) 22.338 8.333 ( -4.350 4.446 -0.547) 6.245 8.783 ( -12.632 -10.285 3.739) 16.713 8.902 ( -6.318 -8.288 4.380) 11.305 9.008 ( 7.512 3.753 1.929) 8.616 9.273 ( -1.206 4.170 14.056) 14.711 9.379 ( -3.180 -2.596 3.718) 5.538 9.713 ( -5.247 -2.017 5.768) 8.054 9.857 ( -4.338 0.385 13.428) 14.116 10.721 ( -6.560 13.094 -5.767) 15.740 11.420 ( 22.518 -18.247 -10.803) 30.931 13.757 ( 0.255 30.489 -7.958) 31.512 14.379 ( 4.934 -20.096 -9.696) 22.852 14.740 ( -18.633 -4.623 -22.925) 29.902 ======================= Grid point 188 (66/200) ======================= q-point: (-0.56 0.22 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( 0.976 2.260 9.905) 10.206 2.934 ( 5.859 4.849 3.581) 8.406 3.395 ( -8.092 -0.585 -0.828) 8.156 4.094 ( 8.654 12.462 11.805) 19.224 4.972 ( 19.755 -9.343 12.668) 25.259 5.100 ( -10.789 11.763 19.492) 25.193 5.698 ( -23.954 5.106 4.648) 24.929 6.044 ( -9.240 -1.981 20.023) 22.141 6.753 ( 20.806 -24.468 15.440) 35.637 7.330 ( -14.433 21.692 11.777) 28.593 7.684 ( 15.254 8.598 -0.902) 17.534 8.322 ( 1.682 0.137 -1.575) 2.308 8.814 ( -3.558 -15.210 2.673) 15.848 8.932 ( -1.304 -6.941 6.547) 9.631 9.075 ( 5.719 6.229 2.164) 8.729 9.177 ( -1.632 4.341 7.308) 8.656 9.391 ( -1.253 -6.139 4.415) 7.665 9.641 ( -7.021 -3.121 5.805) 9.629 9.776 ( -4.440 0.447 7.107) 8.392 10.451 ( -10.072 9.081 -2.327) 13.760 11.996 ( 21.424 -16.894 -13.334) 30.367 13.356 ( -1.843 34.303 -2.555) 34.447 14.390 ( -18.647 -2.806 -19.939) 27.443 14.773 ( 2.949 -21.616 -10.327) 24.137 ======================= Grid point 189 (67/200) ======================= q-point: (-0.44 0.22 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( -3.684 8.984 10.536) 14.328 2.805 ( -7.061 14.242 7.275) 17.481 3.312 ( -2.845 -0.515 -0.505) 2.935 4.069 ( 6.356 12.960 13.006) 19.430 4.783 ( -13.783 5.946 10.646) 18.403 5.244 ( -14.901 4.100 6.544) 16.783 5.433 ( 17.788 -2.152 19.382) 26.395 5.900 ( -9.094 2.119 21.127) 23.099 6.656 ( -17.563 24.916 22.835) 38.088 7.408 ( 17.065 -19.893 5.184) 26.718 7.891 ( 7.260 -5.409 -1.736) 9.218 8.361 ( 4.223 0.576 -1.497) 4.518 8.865 ( -5.082 -0.376 4.687) 6.924 8.958 ( 0.766 4.558 10.907) 11.846 9.095 ( 4.557 0.784 0.403) 4.642 9.221 ( 2.932 -9.647 -1.594) 10.208 9.486 ( -0.355 -11.118 0.445) 11.132 9.563 ( -5.932 -4.515 7.295) 10.430 9.721 ( -0.881 0.455 2.598) 2.781 10.182 ( -11.295 6.017 2.010) 12.954 12.503 ( 17.215 -11.039 -13.782) 24.661 12.941 ( 0.821 30.603 0.138) 30.614 14.081 ( -21.887 -3.362 -21.118) 30.599 15.084 ( 4.615 -19.423 -5.546) 20.719 ======================= Grid point 190 (68/200) ======================= q-point: (-0.33 0.22 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( -4.347 16.662 12.752) 21.428 2.455 ( -9.079 18.838 11.854) 24.038 3.254 ( -1.451 5.925 4.302) 7.464 4.010 ( 3.282 10.730 14.641) 18.446 4.532 ( -11.832 -1.220 6.666) 13.635 4.983 ( -4.413 8.741 3.540) 10.412 5.494 ( -2.160 29.546 28.756) 41.286 5.850 ( 6.440 -5.997 22.393) 24.060 6.245 ( -9.836 2.193 27.463) 29.254 7.754 ( 8.736 -0.631 0.823) 8.797 8.076 ( -0.992 -16.403 -2.671) 16.649 8.482 ( 7.643 -4.004 -2.207) 8.906 8.731 ( -6.579 0.288 -0.170) 6.587 8.932 ( 0.994 3.658 13.606) 14.124 9.065 ( 2.258 12.845 0.210) 13.044 9.392 ( -0.459 -9.080 0.009) 9.091 9.517 ( -3.380 -9.403 3.012) 10.436 9.725 ( 4.035 -13.665 1.527) 14.329 9.741 ( 2.817 -4.025 -0.638) 4.954 9.959 ( -9.037 1.431 6.035) 10.961 12.457 ( 0.106 29.196 2.687) 29.319 13.054 ( 18.278 -9.008 -16.343) 26.121 13.755 ( -21.973 -3.929 -19.952) 29.939 15.366 ( 3.595 -16.583 -3.314) 17.289 ======================= Grid point 191 (69/200) ======================= q-point: (-0.22 0.22 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 0.000 20.703 16.722) 26.613 2.134 ( 0.000 20.617 17.264) 26.891 3.125 ( 0.000 12.725 11.563) 17.194 3.928 ( 0.000 7.137 15.340) 16.919 4.452 ( -0.000 -1.085 5.576) 5.680 4.885 ( 0.000 3.718 -1.010) 3.853 5.044 ( 0.000 34.534 37.015) 50.623 5.921 ( 0.000 2.618 23.906) 24.049 6.260 ( -0.000 -11.670 28.548) 30.841 7.785 ( 0.000 5.045 -1.206) 5.187 8.195 ( -0.000 -6.524 -0.752) 6.567 8.558 ( 0.000 0.482 2.121) 2.175 8.791 ( -0.000 -15.583 -5.008) 16.368 8.888 ( 0.000 17.737 -0.066) 17.737 8.924 ( -0.000 -0.309 12.854) 12.858 9.451 ( -0.000 -5.593 0.006) 5.593 9.612 ( -0.000 -8.227 7.224) 10.949 9.748 ( 0.000 3.690 1.101) 3.851 9.871 ( -0.000 -4.177 8.767) 9.711 10.033 ( -0.000 -21.681 -5.591) 22.390 12.122 ( 0.000 27.219 2.487) 27.333 13.438 ( -0.000 -7.598 -19.359) 20.797 13.487 ( -0.000 -4.650 -17.202) 17.819 15.573 ( -0.000 -12.509 -3.823) 13.080 ======================= Grid point 196 (70/200) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( 3.593 -0.000 10.444) 11.045 2.984 ( 11.178 -0.000 -0.071) 11.179 3.387 ( -10.060 0.000 0.608) 10.079 4.332 ( 16.297 -0.000 12.099) 20.297 4.735 ( 8.495 -0.000 5.874) 10.328 5.287 ( -18.945 0.000 12.715) 22.816 5.931 ( -13.984 0.000 14.081) 19.845 5.936 ( -8.898 0.000 16.861) 19.064 6.354 ( 25.399 -0.000 22.231) 33.754 7.514 ( 10.221 -0.000 2.599) 10.547 8.169 ( 6.765 -0.000 -1.315) 6.891 8.229 ( -24.862 0.000 2.717) 25.010 8.378 ( 2.904 -0.000 -1.816) 3.425 8.887 ( 1.556 -0.000 11.387) 11.493 9.158 ( 6.589 -0.000 0.756) 6.632 9.253 ( -4.693 0.000 11.415) 12.342 9.324 ( -0.101 0.000 3.478) 3.479 9.574 ( -8.874 0.000 4.529) 9.963 9.795 ( -3.561 0.000 10.088) 10.698 10.586 ( -14.533 0.000 -5.440) 15.517 11.773 ( 27.942 -0.000 -13.267) 30.932 14.016 ( -3.087 0.000 -1.610) 3.482 14.251 ( 6.114 -0.000 -6.878) 9.203 14.364 ( -22.396 0.000 -23.685) 32.597 ======================= Grid point 197 (71/200) ======================= q-point: (-0.56 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 0.370 2.701 10.897) 11.233 3.077 ( -0.325 8.906 1.197) 8.992 3.246 ( -3.427 -4.741 -1.432) 6.023 4.459 ( 10.103 18.259 11.028) 23.602 4.778 ( -20.123 -5.243 8.835) 22.593 5.076 ( 2.493 -11.890 13.093) 17.861 5.664 ( -2.837 14.758 8.458) 17.245 5.910 ( -0.990 -1.378 19.058) 19.133 6.834 ( 17.905 -16.120 15.591) 28.697 7.354 ( -13.241 22.448 11.910) 28.655 7.855 ( -6.111 -0.830 1.957) 6.470 8.385 ( 5.749 -1.245 -3.338) 6.764 8.580 ( 8.353 -16.361 -3.289) 18.662 8.910 ( -0.173 -0.809 11.060) 11.091 9.125 ( -4.854 4.815 7.430) 10.097 9.225 ( -0.099 -2.626 2.492) 3.621 9.383 ( 4.148 0.679 0.017) 4.203 9.454 ( -5.200 -3.024 6.077) 8.550 9.743 ( -1.820 0.758 5.331) 5.684 10.313 ( -14.688 3.881 -3.489) 15.588 12.264 ( 25.670 -6.196 -15.270) 30.504 13.706 ( -3.420 30.386 0.626) 30.585 14.007 ( -22.182 -2.282 -21.001) 30.631 14.544 ( 3.179 -24.771 -2.801) 25.131 ======================= Grid point 198 (72/200) ======================= q-point: (-0.44 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( -1.081 7.909 10.956) 13.556 2.843 ( -7.093 13.423 5.117) 16.021 3.311 ( 2.804 -0.358 -2.426) 3.725 4.324 ( -3.673 6.901 13.158) 15.306 4.488 ( -9.318 8.074 10.240) 16.027 5.230 ( 1.198 5.555 7.558) 9.457 5.589 ( -0.094 -10.515 13.623) 17.210 5.927 ( 8.991 8.849 19.589) 23.300 6.702 ( -14.510 31.518 23.040) 41.650 7.385 ( 10.849 -23.733 3.308) 26.304 7.847 ( -3.636 -6.855 1.893) 7.987 8.480 ( 7.284 1.706 -2.254) 7.814 8.772 ( -5.247 -0.091 -0.688) 5.292 8.971 ( 3.206 -9.808 4.333) 11.191 9.027 ( -1.362 -2.637 6.345) 7.005 9.264 ( -0.160 -4.276 2.499) 4.956 9.359 ( -4.081 -3.786 2.307) 6.026 9.520 ( 6.982 2.945 2.265) 7.909 9.735 ( 1.987 -0.441 2.330) 3.094 10.030 ( -13.223 3.564 0.116) 13.696 12.746 ( 22.721 -5.055 -16.077) 28.289 13.293 ( -2.874 27.903 0.377) 28.053 13.668 ( -21.142 -1.340 -17.760) 27.644 14.878 ( 2.025 -24.354 -0.188) 24.439 ======================= Grid point 199 (73/200) ======================= q-point: (-0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 0.000 13.539 11.504) 17.766 2.592 ( 0.000 17.562 8.829) 19.656 3.310 ( 0.000 3.942 0.699) 4.004 4.225 ( 0.000 18.215 16.043) 24.272 4.327 ( -0.000 -8.137 8.204) 11.554 5.099 ( 0.000 12.864 -3.571) 13.350 5.694 ( 0.000 0.221 27.018) 27.019 5.998 ( 0.000 4.139 19.760) 20.189 6.169 ( 0.000 22.638 29.781) 37.409 7.791 ( -0.000 -25.648 -3.230) 25.850 7.852 ( -0.000 -0.831 1.543) 1.752 8.588 ( -0.000 -2.112 -1.346) 2.505 8.629 ( 0.000 4.845 -1.692) 5.132 8.954 ( 0.000 2.620 12.615) 12.884 9.210 ( -0.000 -4.651 -2.309) 5.192 9.322 ( -0.000 -5.551 2.536) 6.103 9.344 ( -0.000 -4.578 -0.896) 4.665 9.595 ( -0.000 -8.703 2.425) 9.034 9.822 ( 0.000 2.454 -0.592) 2.524 9.827 ( -0.000 -1.316 6.845) 6.970 12.802 ( 0.000 27.742 1.935) 27.809 13.263 ( -0.000 -6.729 -20.096) 21.193 13.385 ( -0.000 -1.408 -14.756) 14.823 15.168 ( -0.000 -21.606 -0.063) 21.606 ======================= Grid point 206 (74/200) ======================= q-point: ( 0.44 -0.56 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( 0.059 -0.000 11.549) 11.550 3.024 ( -7.943 0.000 1.674) 8.117 3.286 ( 6.944 -0.000 -4.513) 8.282 4.306 ( -20.558 0.000 10.151) 22.928 4.940 ( 17.219 -0.000 8.390) 19.154 4.949 ( -1.296 0.000 25.162) 25.195 5.575 ( -12.456 0.000 8.474) 15.065 6.054 ( 10.171 -0.000 1.326) 10.257 6.993 ( 12.574 -0.000 14.333) 19.067 7.387 ( -7.601 0.000 14.037) 15.963 7.548 ( -13.859 0.000 9.320) 16.702 8.497 ( 7.419 -0.000 -2.724) 7.903 8.659 ( 6.801 -0.000 -5.082) 8.490 8.883 ( -2.437 0.000 4.704) 5.298 9.091 ( -2.222 0.000 9.697) 9.948 9.179 ( -1.999 0.000 3.139) 3.722 9.270 ( -5.599 0.000 3.942) 6.848 9.606 ( 12.543 -0.000 0.091) 12.544 9.723 ( -0.861 0.000 3.000) 3.121 10.082 ( -15.095 0.000 -3.157) 15.422 12.668 ( 26.430 -0.000 -17.418) 31.653 13.549 ( -26.007 0.000 -21.835) 33.958 13.928 ( -1.526 0.000 7.826) 7.973 14.399 ( 2.446 -0.000 -1.153) 2.704 ======================= Grid point 208 (75/200) ======================= q-point: (-0.44 0.44 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 0.000 4.260 11.450) 12.217 2.907 ( 0.000 7.949 2.898) 8.461 3.352 ( 0.000 0.427 -5.123) 5.140 4.149 ( -0.000 -5.232 10.987) 12.169 4.732 ( 0.000 23.059 20.924) 31.137 5.326 ( -0.000 -21.080 18.567) 28.091 5.375 ( 0.000 7.873 2.499) 8.260 6.117 ( 0.000 5.115 2.807) 5.834 6.976 ( 0.000 34.792 22.586) 41.480 7.228 ( -0.000 -17.208 4.434) 17.770 7.650 ( -0.000 -18.353 9.405) 20.622 8.579 ( 0.000 0.171 0.865) 0.882 8.709 ( -0.000 -1.190 -6.513) 6.621 8.884 ( -0.000 -5.566 -0.826) 5.627 9.040 ( 0.000 4.264 10.906) 11.710 9.193 ( -0.000 -5.079 3.808) 6.348 9.261 ( -0.000 -5.131 4.785) 7.016 9.679 ( 0.000 6.056 -0.402) 6.070 9.807 ( -0.000 -0.558 1.987) 2.064 9.860 ( 0.000 0.794 -2.173) 2.314 13.090 ( -0.000 -0.074 -17.849) 17.849 13.149 ( -0.000 -2.663 -20.363) 20.536 13.722 ( 0.000 25.048 6.249) 25.815 14.604 ( -0.000 -24.037 1.193) 24.067 ======================= Grid point 249 (76/200) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 0.000 0.000 27.463) 27.463 2.159 ( 0.000 0.000 30.246) 30.246 3.144 ( 0.000 0.000 28.941) 28.941 4.253 ( 0.000 0.000 16.122) 16.122 4.507 ( 0.000 0.000 9.089) 9.089 4.947 ( 0.000 0.000 52.397) 52.397 5.011 ( 0.000 0.000 5.422) 5.422 6.365 ( 0.000 0.000 27.007) 27.007 7.306 ( 0.000 0.000 38.059) 38.059 7.491 ( 0.000 0.000 -7.532) 7.532 8.261 ( 0.000 0.000 2.552) 2.552 8.516 ( 0.000 0.000 10.902) 10.902 8.846 ( 0.000 0.000 6.996) 6.996 9.072 ( 0.000 0.000 -18.889) 18.889 9.197 ( 0.000 0.000 9.095) 9.095 9.625 ( 0.000 0.000 1.885) 1.885 9.741 ( 0.000 0.000 13.707) 13.707 9.870 ( 0.000 0.000 6.675) 6.675 10.272 ( 0.000 0.000 -21.883) 21.883 10.715 ( 0.000 0.000 34.501) 34.501 11.219 ( 0.000 0.000 -10.388) 10.388 13.216 ( 0.000 0.000 -21.740) 21.740 13.227 ( 0.000 0.000 -24.473) 24.473 15.561 ( 0.000 0.000 -11.208) 11.208 ======================= Grid point 250 (77/200) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 5.093 -3.599 26.266) 26.996 2.231 ( 6.381 -4.715 26.753) 27.905 3.230 ( 6.265 -3.493 23.427) 24.501 4.244 ( 1.417 2.640 16.305) 16.578 4.518 ( -0.002 -2.293 11.572) 11.797 5.100 ( 10.967 0.375 9.583) 14.569 5.112 ( 11.428 -10.000 44.710) 47.218 6.366 ( -0.492 -0.746 27.418) 27.432 7.185 ( -5.127 10.088 27.085) 29.354 7.515 ( -5.381 -9.162 2.346) 10.881 8.327 ( 5.403 -0.557 2.149) 5.841 8.534 ( 0.778 -3.477 9.076) 9.751 8.828 ( 0.879 4.033 7.237) 8.331 8.996 ( -4.325 6.562 -17.069) 18.792 9.263 ( 8.002 0.781 10.122) 12.926 9.611 ( -0.447 0.924 1.617) 1.915 9.763 ( 1.571 2.058 10.666) 10.976 9.890 ( 2.607 -2.413 8.432) 9.149 10.123 ( -12.062 6.146 -19.390) 23.648 10.615 ( -1.948 12.168 25.479) 28.302 11.312 ( -2.658 -17.458 -3.164) 17.940 13.174 ( 0.854 9.232 -22.551) 24.382 13.340 ( 10.392 -4.033 -23.881) 26.355 15.477 ( -10.010 -0.683 -11.630) 15.360 ======================= Grid point 251 (78/200) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 10.182 -7.768 20.272) 23.978 2.455 ( 9.327 -9.028 19.960) 23.809 3.373 ( 6.152 -1.405 13.576) 14.971 4.259 ( 3.867 2.106 16.829) 17.395 4.563 ( -0.490 -6.574 14.039) 15.509 5.344 ( 17.400 -0.016 10.943) 20.555 5.514 ( 20.340 -10.678 35.956) 42.668 6.356 ( -1.597 0.102 27.597) 27.643 6.959 ( -7.416 7.720 19.987) 22.673 7.499 ( -10.022 -9.753 7.979) 16.100 8.379 ( -2.010 -2.438 2.848) 4.253 8.629 ( 6.892 2.115 4.954) 8.747 8.752 ( -6.053 9.043 -3.035) 11.297 8.842 ( 1.271 4.001 -0.280) 4.207 9.397 ( 8.544 3.615 13.953) 16.756 9.593 ( -1.571 -0.469 1.120) 1.986 9.726 ( -2.772 7.286 -2.673) 8.241 9.820 ( -8.312 4.694 -10.485) 14.180 10.012 ( 5.457 -4.166 11.972) 13.801 10.414 ( -3.360 12.660 15.842) 20.555 11.504 ( -4.315 -24.785 2.170) 25.252 13.029 ( 0.696 17.961 -21.282) 27.856 13.622 ( 15.777 -5.350 -24.391) 29.537 15.265 ( -15.914 -0.726 -13.626) 20.963 ======================= Grid point 252 (79/200) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( 10.789 -7.657 12.540) 18.229 2.714 ( 7.673 -10.192 14.606) 19.393 3.446 ( 3.017 2.066 5.250) 6.398 4.302 ( 3.528 2.447 19.656) 20.119 4.693 ( 3.395 -13.374 15.588) 20.818 5.589 ( 7.830 1.568 18.253) 19.924 5.935 ( 21.117 3.434 13.805) 25.461 6.338 ( 3.441 0.185 20.665) 20.950 6.858 ( -1.795 -8.345 22.950) 24.486 7.413 ( -12.511 -8.067 12.143) 19.210 8.219 ( -12.302 14.514 2.945) 19.252 8.570 ( -4.152 -1.957 1.258) 4.759 8.660 ( 3.668 7.046 6.590) 10.321 8.927 ( 6.016 -3.339 3.820) 7.870 9.398 ( -0.040 6.914 11.313) 13.258 9.448 ( -12.511 4.953 -9.688) 16.581 9.587 ( -0.862 -2.378 1.736) 3.068 9.855 ( 7.761 6.798 0.970) 10.363 10.114 ( 6.360 4.055 11.575) 13.815 10.281 ( -1.194 -0.187 8.776) 8.859 11.751 ( -3.973 -29.452 0.862) 29.732 12.778 ( -0.313 25.184 -18.237) 31.095 13.963 ( 17.681 -4.594 -23.753) 29.966 14.982 ( -18.178 0.109 -17.213) 25.035 ======================= Grid point 253 (80/200) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( 3.815 -2.464 7.327) 8.620 2.923 ( 3.999 -5.881 14.061) 15.757 3.441 ( 0.425 2.249 -1.361) 2.663 4.313 ( 0.884 1.307 22.716) 22.771 4.985 ( 8.745 -15.797 21.151) 27.810 5.450 ( -9.168 12.738 15.093) 21.774 6.162 ( 12.658 4.607 4.624) 14.242 6.426 ( 2.072 -0.523 4.749) 5.207 7.141 ( 10.667 -19.285 19.729) 29.579 7.317 ( -4.562 -6.620 21.069) 22.550 7.730 ( -17.271 22.341 16.390) 32.650 8.578 ( -2.525 -5.549 3.579) 7.070 8.635 ( 2.826 5.707 6.283) 8.946 9.074 ( 5.202 -5.297 2.032) 7.698 9.236 ( -6.837 4.502 -1.920) 8.408 9.306 ( -1.442 3.787 2.605) 4.817 9.632 ( 0.800 -4.906 1.795) 5.285 9.788 ( -0.966 8.892 6.732) 11.195 10.199 ( 7.163 3.412 10.035) 12.793 10.311 ( -1.193 -4.003 4.709) 6.295 12.061 ( -1.490 -30.402 -5.388) 30.911 12.446 ( -0.496 28.813 -12.838) 31.547 14.304 ( 17.272 -2.963 -20.835) 27.225 14.670 ( -17.535 1.365 -22.034) 28.193 ======================= Grid point 259 (81/200) ======================= q-point: ( 0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 10.000 -0.000 23.927) 25.933 2.323 ( 9.096 -0.000 23.058) 24.788 3.351 ( 8.996 -0.000 16.848) 19.099 4.291 ( 2.578 -0.000 14.325) 14.555 4.482 ( -1.924 0.000 15.587) 15.705 5.277 ( 17.068 -0.000 39.967) 43.458 5.452 ( 27.234 -0.000 9.791) 28.941 6.347 ( -1.327 0.000 28.732) 28.762 7.137 ( -9.465 0.000 32.944) 34.276 7.301 ( -11.651 0.000 -7.137) 13.663 8.329 ( -2.866 0.000 6.316) 6.936 8.639 ( 10.724 -0.000 4.561) 11.654 8.876 ( 1.924 -0.000 6.293) 6.580 8.931 ( -7.555 0.000 -13.959) 15.872 9.445 ( 11.938 -0.000 14.212) 18.561 9.587 ( -2.453 0.000 1.841) 3.067 9.860 ( -17.100 0.000 -9.773) 19.696 9.889 ( 9.333 -0.000 6.662) 11.467 9.890 ( -3.599 0.000 -0.304) 3.612 10.656 ( -3.511 0.000 30.641) 30.841 11.125 ( -5.616 0.000 -10.114) 11.569 13.363 ( 8.196 -0.000 -21.474) 22.985 13.442 ( 10.389 -0.000 -23.471) 25.667 15.243 ( -16.720 0.000 -13.594) 21.549 ======================= Grid point 260 (82/200) ======================= q-point: ( 0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( 12.780 -3.802 17.574) 22.059 2.526 ( 10.056 -5.122 16.647) 20.112 3.477 ( 5.725 0.635 9.472) 11.086 4.345 ( 3.913 1.109 13.840) 14.425 4.476 ( -0.708 -5.067 15.921) 16.723 5.606 ( 19.893 0.416 31.827) 37.535 5.970 ( 33.152 0.705 11.176) 34.993 6.325 ( -1.394 -1.832 30.063) 30.151 6.872 ( -13.523 8.139 15.675) 22.245 7.162 ( -14.848 -12.036 6.391) 20.153 8.290 ( -3.174 -1.906 6.823) 7.763 8.697 ( -9.013 6.071 -1.649) 10.991 8.824 ( 6.584 4.372 -0.378) 7.913 8.910 ( 3.146 1.382 4.534) 5.689 9.477 ( -21.499 0.276 -9.892) 23.667 9.539 ( -2.978 0.235 3.423) 4.543 9.583 ( 4.055 4.017 15.298) 16.328 9.907 ( 2.681 -1.985 5.807) 6.697 10.111 ( 15.000 -0.431 1.409) 15.072 10.490 ( -5.138 13.112 17.356) 22.351 11.149 ( -6.485 -19.975 -3.911) 21.363 13.332 ( 7.200 21.021 -19.359) 29.470 13.757 ( 13.013 -13.006 -21.541) 28.329 14.946 ( -19.722 -1.735 -17.637) 26.515 ======================= Grid point 261 (83/200) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( 7.012 -4.524 10.532) 13.437 2.761 ( 11.702 -6.370 12.223) 18.081 3.511 ( 0.730 2.841 3.264) 4.389 4.342 ( -1.297 1.755 18.354) 18.483 4.657 ( 10.334 -11.723 13.271) 20.502 5.766 ( 4.108 13.579 27.248) 30.720 6.275 ( 7.779 3.265 13.003) 15.500 6.487 ( 0.111 6.613 1.594) 6.803 6.700 ( 11.568 -15.810 24.694) 31.521 7.101 ( -7.886 -12.641 14.695) 20.927 8.182 ( -9.924 11.907 9.563) 18.213 8.435 ( -8.161 1.301 2.372) 8.598 8.869 ( 6.435 7.732 3.799) 10.753 8.972 ( 3.389 -2.109 5.138) 6.507 9.194 ( -14.905 -5.715 -7.963) 17.839 9.465 ( -2.942 5.292 7.777) 9.856 9.555 ( -1.084 0.830 6.938) 7.071 9.960 ( -1.168 -1.121 10.155) 10.284 10.225 ( -7.267 6.602 13.638) 16.805 10.362 ( 13.715 6.751 -4.121) 15.832 11.363 ( -1.251 -27.752 -5.437) 28.307 13.140 ( 4.918 28.488 -14.208) 32.213 14.134 ( 14.303 -11.930 -18.880) 26.521 14.636 ( -20.632 -2.990 -22.505) 30.677 ======================= Grid point 262 (84/200) ======================= q-point: ( 0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( 1.322 -0.825 7.395) 7.557 2.972 ( 6.243 -1.922 11.893) 13.569 3.447 ( -3.564 2.682 -1.854) 4.830 4.296 ( -1.889 0.851 21.053) 21.155 5.053 ( 17.812 -13.437 15.379) 27.098 5.494 ( -8.879 18.982 19.055) 28.324 6.103 ( -20.979 0.711 1.040) 21.017 6.460 ( 1.809 0.924 10.148) 10.349 7.187 ( 7.842 -19.779 25.249) 33.019 7.293 ( 22.663 -5.297 7.891) 24.575 7.716 ( -16.034 22.752 21.309) 35.054 8.402 ( -3.758 -6.541 3.740) 8.420 8.873 ( 7.334 11.101 4.628) 14.087 9.043 ( -3.321 -8.254 -3.381) 9.518 9.128 ( -0.516 -4.969 2.631) 5.646 9.325 ( -4.171 6.322 6.116) 9.735 9.570 ( -0.829 -5.674 3.218) 6.575 9.855 ( -3.942 8.757 8.429) 12.778 10.071 ( -10.392 -5.015 6.021) 13.016 10.441 ( 3.779 5.814 5.644) 8.941 11.739 ( 6.143 -27.637 -12.860) 31.096 12.847 ( 3.716 32.741 -7.199) 33.728 14.300 ( -18.760 -2.486 -22.179) 29.155 14.534 ( 12.900 -10.618 -19.531) 25.702 ======================= Grid point 263 (85/200) ======================= q-point: (-0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.787 ( -4.555 4.788 8.618) 10.860 2.956 ( -3.806 8.884 12.385) 15.710 3.388 ( -2.449 -2.449 -0.349) 3.481 4.264 ( -1.333 0.385 20.905) 20.951 5.086 ( -7.915 19.315 16.752) 26.765 5.503 ( 7.780 -7.117 11.889) 15.891 5.756 ( -17.150 -9.142 4.516) 19.952 6.407 ( -3.750 4.791 18.591) 19.561 7.207 ( -12.602 19.955 29.209) 37.552 7.489 ( 12.292 -4.259 14.403) 19.408 7.782 ( 16.747 -16.576 4.464) 23.982 8.421 ( -3.525 -6.940 4.410) 8.946 8.849 ( 6.503 13.070 3.409) 14.991 9.010 ( -6.933 1.025 -0.340) 7.017 9.235 ( 2.799 -6.187 9.440) 11.629 9.283 ( 2.046 -6.990 -3.179) 7.946 9.626 ( -2.100 -4.911 0.037) 5.342 9.718 ( -2.678 2.564 4.444) 5.788 9.966 ( -9.261 -6.966 7.273) 13.682 10.373 ( -3.833 4.457 9.703) 11.345 12.161 ( 7.913 -21.326 -16.990) 28.391 12.527 ( 4.294 30.897 -1.252) 31.219 13.988 ( -20.627 -1.859 -25.738) 33.036 14.889 ( 14.937 -8.459 -14.423) 22.421 ======================= Grid point 264 (86/200) ======================= q-point: (-0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( -7.493 10.500 13.630) 18.766 2.703 ( -9.434 11.904 13.736) 20.478 3.385 ( -1.679 -0.936 7.163) 7.417 4.233 ( -1.674 0.901 18.884) 18.980 4.782 ( -5.934 11.810 11.495) 17.516 5.275 ( -22.157 -3.521 1.934) 22.519 5.867 ( 4.886 11.859 34.649) 36.946 6.309 ( 0.449 -1.754 22.228) 22.302 6.900 ( -5.466 4.301 26.604) 27.498 7.674 ( 9.930 4.480 10.430) 15.082 8.198 ( 6.449 -18.252 -2.866) 19.569 8.458 ( -0.636 -7.215 2.218) 7.575 8.783 ( 1.587 8.708 0.443) 8.862 8.861 ( -4.264 5.762 4.460) 8.443 9.303 ( -2.929 -3.995 12.644) 13.580 9.489 ( 4.247 -12.164 -5.033) 13.832 9.608 ( -1.266 -1.518 -1.554) 2.514 9.700 ( 0.579 -3.682 -2.549) 4.516 9.979 ( -2.154 -8.118 12.296) 14.890 10.251 ( -5.273 -0.115 10.407) 11.667 12.158 ( 2.999 28.835 3.984) 29.263 12.602 ( 8.912 -16.178 -20.389) 27.511 13.667 ( -19.825 -1.139 -26.087) 32.785 15.213 ( 13.388 -6.121 -11.617) 18.753 ======================= Grid point 265 (87/200) ======================= q-point: (-0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( -4.556 11.522 20.358) 23.832 2.417 ( -8.187 10.522 19.563) 23.674 3.334 ( -2.240 3.875 15.054) 15.705 4.196 ( -1.420 0.111 17.250) 17.309 4.606 ( -3.832 4.977 9.191) 11.132 5.025 ( -12.082 -3.906 3.822) 13.261 5.586 ( -3.540 26.895 48.088) 55.212 6.384 ( 1.982 -0.057 25.992) 26.068 6.926 ( 1.601 -10.790 21.599) 24.198 7.724 ( 4.905 7.651 8.943) 12.750 8.309 ( -5.357 -3.997 1.447) 6.838 8.629 ( 5.517 -6.061 -1.631) 8.357 8.751 ( -1.718 2.979 6.090) 6.994 8.761 ( 0.908 -4.448 -6.817) 8.190 9.236 ( -6.455 -1.315 10.339) 12.259 9.558 ( -1.846 -3.643 2.407) 4.741 9.712 ( 5.325 -3.095 4.163) 7.434 9.877 ( 5.391 -12.194 -9.426) 16.328 9.945 ( -5.050 0.529 8.619) 10.004 10.300 ( 0.653 -12.635 12.153) 17.543 11.865 ( 2.022 27.599 5.960) 28.307 12.919 ( 8.813 -11.864 -22.851) 27.214 13.370 ( -16.846 -1.341 -25.076) 30.239 15.459 ( 8.681 -3.589 -10.484) 14.077 ======================= Grid point 266 (88/200) ======================= q-point: (-0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 0.000 9.110 24.019) 25.689 2.223 ( 0.000 6.316 26.522) 27.264 3.244 ( 0.000 6.530 22.275) 23.212 4.197 ( -0.000 -2.455 17.164) 17.339 4.534 ( 0.000 2.244 8.420) 8.714 4.969 ( -0.000 -3.253 5.064) 6.019 5.247 ( 0.000 23.195 51.168) 56.180 6.383 ( 0.000 1.404 26.792) 26.828 7.093 ( -0.000 -12.385 23.446) 26.516 7.667 ( 0.000 8.929 7.215) 11.480 8.266 ( 0.000 0.057 2.387) 2.388 8.620 ( 0.000 8.448 7.670) 11.410 8.760 ( -0.000 -5.635 8.042) 9.820 8.917 ( -0.000 -12.581 -18.243) 22.160 9.186 ( -0.000 -0.751 9.342) 9.372 9.581 ( -0.000 -3.086 2.710) 4.107 9.780 ( 0.000 2.528 12.047) 12.310 9.858 ( -0.000 -1.430 7.042) 7.185 10.107 ( -0.000 -12.599 -17.019) 21.175 10.474 ( -0.000 -14.196 16.819) 22.010 11.581 ( 0.000 23.875 3.464) 24.125 13.158 ( -0.000 -5.600 -24.890) 25.513 13.182 ( -0.000 -2.934 -22.426) 22.617 15.563 ( -0.000 -0.946 -10.854) 10.895 ======================= Grid point 269 (89/200) ======================= q-point: ( 0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 11.632 -0.000 14.113) 18.288 2.681 ( 11.023 -0.000 9.946) 14.847 3.548 ( 1.579 -0.000 5.408) 5.634 4.415 ( -0.742 0.000 16.871) 16.888 4.460 ( 8.183 -0.000 9.528) 12.559 6.012 ( 25.270 -0.000 29.697) 38.993 6.225 ( -8.265 0.000 29.225) 30.371 6.513 ( 22.484 -0.000 12.902) 25.923 6.723 ( -21.040 0.000 -3.125) 21.271 6.798 ( -0.131 0.000 17.575) 17.575 8.244 ( -1.286 0.000 7.222) 7.335 8.577 ( -10.101 0.000 0.268) 10.104 8.944 ( 4.770 -0.000 2.577) 5.422 8.961 ( -1.824 0.000 0.768) 1.979 9.092 ( -17.594 0.000 -1.133) 17.630 9.482 ( -3.267 0.000 3.195) 4.569 9.659 ( -0.887 0.000 17.898) 17.920 9.863 ( -3.005 0.000 4.669) 5.552 10.317 ( 0.764 -0.000 18.888) 18.903 10.648 ( 16.624 -0.000 -5.093) 17.386 10.856 ( -10.294 0.000 -9.264) 13.849 13.706 ( 11.663 -0.000 -17.030) 20.641 13.768 ( 8.122 -0.000 -16.105) 18.038 14.591 ( -21.379 0.000 -22.092) 30.742 ======================= Grid point 270 (90/200) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( 6.902 0.475 8.738) 11.145 2.885 ( 9.726 -4.013 7.696) 13.036 3.514 ( -4.425 1.928 1.603) 5.086 4.386 ( 2.951 6.504 16.022) 17.542 4.719 ( 13.434 -12.644 8.241) 20.205 5.906 ( -15.707 11.447 21.722) 29.147 6.253 ( -18.583 13.583 4.797) 23.512 6.435 ( 10.174 -2.311 19.259) 21.904 6.694 ( 1.398 -20.830 23.383) 31.347 7.196 ( 27.886 -2.771 5.563) 28.570 8.183 ( -6.123 11.504 11.604) 17.450 8.348 ( -6.473 5.310 2.470) 8.729 8.778 ( -15.243 -13.084 -0.903) 20.109 9.027 ( 3.427 -2.283 5.056) 6.521 9.064 ( 5.786 4.095 4.087) 8.183 9.436 ( -2.683 -0.138 4.428) 5.179 9.548 ( -6.032 5.494 9.991) 12.899 9.833 ( -6.562 -6.481 6.161) 11.092 10.171 ( -9.562 7.293 16.897) 20.739 10.601 ( -3.337 8.409 -5.086) 10.379 11.169 ( 17.218 -19.068 -14.277) 29.392 13.577 ( 6.648 28.748 -10.013) 31.159 14.158 ( 10.917 -19.590 -12.490) 25.670 14.244 ( -21.788 -3.071 -26.077) 34.120 ======================= Grid point 271 (91/200) ======================= q-point: (-0.56 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( 1.481 3.160 7.161) 7.966 3.055 ( 5.292 -0.971 8.764) 10.284 3.373 ( -8.276 1.535 -1.230) 8.506 4.365 ( 5.104 8.599 15.640) 18.563 5.177 ( 17.524 -18.451 7.850) 26.630 5.457 ( -22.996 6.811 14.570) 28.062 5.785 ( -16.269 15.570 4.003) 22.872 6.471 ( -2.645 -0.755 22.295) 22.464 7.113 ( 13.223 -20.333 18.518) 30.516 7.589 ( 9.370 0.793 9.107) 13.090 7.778 ( -4.302 21.425 16.257) 27.236 8.324 ( 0.233 -1.768 1.799) 2.533 8.795 ( -5.376 -16.650 -0.300) 17.498 9.110 ( 7.591 7.510 3.238) 11.159 9.118 ( 2.918 -3.666 7.089) 8.498 9.306 ( -6.839 6.391 5.041) 10.632 9.475 ( -2.673 -4.940 3.941) 6.861 9.778 ( -8.681 -6.677 6.843) 12.914 9.912 ( -8.445 8.739 5.862) 13.493 10.447 ( -8.546 1.659 3.575) 9.411 11.682 ( 18.481 -16.708 -18.165) 30.833 13.300 ( 3.807 32.495 -3.131) 32.866 13.915 ( -21.463 -3.313 -26.488) 34.253 14.574 ( 11.271 -18.368 -10.091) 23.796 ======================= Grid point 272 (92/200) ======================= q-point: (-0.44 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( -2.389 7.552 8.624) 11.710 2.976 ( -7.545 10.134 9.374) 15.732 3.322 ( 0.048 -4.212 1.621) 4.513 4.348 ( 5.091 9.450 15.567) 18.910 5.002 ( -22.248 2.182 10.839) 24.844 5.320 ( -14.125 11.465 1.718) 18.273 5.763 ( 20.443 -15.043 12.311) 28.209 6.408 ( -2.957 3.654 27.797) 28.192 7.194 ( -14.359 19.055 30.358) 38.612 7.568 ( 11.077 -16.146 10.151) 22.055 7.879 ( 7.189 -2.353 1.205) 7.660 8.359 ( 2.026 -1.470 1.382) 2.859 8.862 ( -6.740 -3.371 -1.507) 7.685 9.121 ( 6.655 11.617 1.384) 13.460 9.174 ( 0.008 -9.644 3.766) 10.353 9.246 ( 1.168 -1.837 9.021) 9.280 9.486 ( -4.657 -6.582 0.591) 8.085 9.723 ( -3.071 2.498 4.193) 5.767 9.764 ( -3.268 -7.101 5.045) 9.304 10.273 ( -10.690 0.306 7.580) 13.108 12.159 ( 16.831 -14.111 -20.355) 29.945 12.966 ( 2.304 32.249 1.884) 32.386 13.602 ( -20.832 -3.204 -26.078) 33.531 14.956 ( 10.137 -15.943 -7.522) 20.336 ======================= Grid point 273 (93/200) ======================= q-point: (-0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( -3.016 11.910 12.399) 17.455 2.696 ( -7.589 12.623 11.834) 18.894 3.371 ( 0.845 -0.971 7.165) 7.280 4.302 ( 2.631 9.575 15.576) 18.472 4.692 ( -12.967 -0.368 9.173) 15.888 5.012 ( -8.572 6.288 1.243) 10.703 6.193 ( 13.782 11.476 31.696) 36.418 6.298 ( 0.934 -2.350 25.664) 25.788 6.796 ( -12.191 5.290 28.041) 31.031 7.845 ( 6.924 -0.230 8.576) 11.025 8.019 ( -1.138 -16.867 -3.148) 17.196 8.442 ( 5.184 -3.078 -1.822) 6.298 8.712 ( -8.388 1.140 -0.460) 8.478 9.050 ( 3.469 14.483 1.153) 14.938 9.215 ( -4.231 -0.234 10.109) 10.961 9.397 ( 4.286 -13.886 -0.000) 14.533 9.509 ( -2.216 -7.854 0.239) 8.164 9.729 ( 3.938 -2.473 0.811) 4.720 9.852 ( -0.591 -8.293 8.825) 12.124 10.113 ( -8.311 -2.940 8.650) 12.350 12.481 ( 7.207 11.845 -5.631) 14.965 12.723 ( 9.919 7.768 -11.536) 17.082 13.301 ( -19.573 -3.389 -24.864) 31.825 15.269 ( 6.629 -12.962 -6.653) 16.007 ======================= Grid point 274 (94/200) ======================= q-point: (-0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 0.000 12.739 17.184) 21.391 2.475 ( 0.000 13.022 16.485) 21.008 3.364 ( 0.000 2.785 12.116) 12.432 4.224 ( 0.000 5.980 15.808) 16.901 4.588 ( 0.000 0.785 8.121) 8.159 4.905 ( -0.000 -0.059 2.947) 2.947 5.921 ( 0.000 31.658 48.378) 57.816 6.415 ( 0.000 0.769 25.012) 25.024 6.777 ( -0.000 -14.150 20.808) 25.163 7.846 ( 0.000 6.273 8.655) 10.689 8.186 ( -0.000 -10.980 -0.725) 11.004 8.589 ( -0.000 -10.352 -12.777) 16.445 8.633 ( -0.000 -3.140 5.410) 6.255 8.909 ( 0.000 14.250 2.482) 14.465 9.171 ( -0.000 -0.289 9.334) 9.339 9.503 ( -0.000 -3.386 4.294) 5.468 9.676 ( -0.000 -16.609 -3.122) 16.900 9.830 ( 0.000 1.383 8.517) 8.629 9.860 ( -0.000 -5.767 -0.312) 5.776 10.151 ( -0.000 -12.199 9.920) 15.723 12.214 ( 0.000 28.914 7.049) 29.761 12.988 ( -0.000 -8.256 -25.570) 26.870 13.087 ( -0.000 -4.421 -22.699) 23.126 15.458 ( -0.000 -8.839 -7.877) 11.839 ======================= Grid point 279 (95/200) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.939 ( 4.340 -0.000 10.799) 11.639 2.995 ( 7.740 -0.000 1.243) 7.839 3.404 ( -9.756 0.000 1.199) 9.830 4.579 ( 11.512 -0.000 12.702) 17.142 4.837 ( 12.839 -0.000 5.048) 13.796 5.504 ( -30.273 0.000 8.532) 31.452 6.234 ( -14.420 0.000 12.002) 18.761 6.282 ( -6.585 0.000 19.162) 20.262 6.823 ( 21.232 -0.000 22.915) 31.239 7.578 ( 16.613 -0.000 3.979) 17.083 8.248 ( 2.471 -0.000 8.762) 9.104 8.338 ( -18.424 0.000 9.293) 20.635 8.370 ( 1.151 -0.000 3.270) 3.467 9.074 ( 3.246 -0.000 6.853) 7.583 9.190 ( 6.150 -0.000 2.620) 6.685 9.403 ( -0.967 0.000 4.386) 4.491 9.444 ( -10.280 0.000 6.990) 12.431 9.656 ( -8.681 0.000 3.538) 9.374 10.057 ( -9.511 0.000 16.306) 18.877 10.458 ( -13.237 0.000 -7.399) 15.164 11.466 ( 25.403 -0.000 -17.228) 30.694 13.836 ( -22.241 0.000 -28.584) 36.217 13.974 ( 4.618 -0.000 -2.747) 5.373 14.104 ( 9.812 -0.000 -7.957) 12.633 ======================= Grid point 280 (96/200) ======================= q-point: (-0.56 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.952 ( 1.347 5.060 9.004) 10.416 3.120 ( 2.551 0.678 4.065) 4.847 3.229 ( -7.658 -1.678 -0.347) 7.848 4.661 ( 10.660 15.943 9.781) 21.529 4.953 ( -23.097 -4.798 8.341) 25.021 5.283 ( 12.019 -14.943 7.739) 20.679 5.815 ( -11.799 19.525 6.025) 23.596 6.308 ( -6.685 -12.149 18.768) 23.335 7.179 ( 13.837 -8.647 17.719) 24.087 7.663 ( -3.970 10.238 16.060) 19.455 7.962 ( -2.866 10.690 11.494) 15.956 8.351 ( 3.783 -0.997 0.238) 3.920 8.568 ( 4.567 -15.578 4.195) 16.767 9.084 ( -5.454 -0.623 6.141) 8.237 9.268 ( 3.825 0.481 4.880) 6.219 9.285 ( -1.531 3.289 4.641) 5.891 9.397 ( -1.783 -0.067 1.690) 2.458 9.573 ( -3.845 -5.650 5.557) 8.809 9.872 ( -7.527 5.586 7.370) 11.923 10.247 ( -13.229 -1.932 -2.338) 13.572 11.913 ( 23.231 -5.860 -19.602) 30.956 13.450 ( -21.988 1.322 -26.624) 34.555 13.795 ( 2.696 26.539 0.404) 26.679 14.481 ( 7.642 -23.681 -3.704) 25.158 ======================= Grid point 281 (97/200) ======================= q-point: (-0.44 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( -0.357 8.591 8.746) 12.265 2.956 ( -6.970 8.555 6.221) 12.668 3.298 ( 2.799 -4.737 1.448) 5.689 4.560 ( -8.944 0.728 10.856) 14.085 4.695 ( 0.743 14.030 10.646) 17.628 5.314 ( -9.403 16.341 2.092) 18.969 5.851 ( 13.577 -20.545 10.132) 26.629 6.334 ( -4.106 -7.944 18.853) 20.867 7.260 ( -7.354 25.364 31.970) 41.466 7.500 ( 3.735 -14.403 8.679) 17.225 7.944 ( 1.787 -0.227 7.735) 7.942 8.432 ( 6.259 0.861 -1.871) 6.589 8.717 ( -5.690 -3.672 -2.554) 7.238 9.035 ( -0.755 -11.175 5.640) 12.540 9.234 ( -3.185 1.771 8.085) 8.869 9.331 ( 3.980 4.779 2.035) 6.544 9.382 ( 0.665 -3.004 4.327) 5.310 9.621 ( -1.011 -3.760 7.007) 8.016 9.755 ( 1.606 0.301 -0.341) 1.669 10.061 ( -12.148 -2.620 3.167) 12.824 12.363 ( 21.441 -7.033 -21.877) 31.429 13.082 ( -20.456 0.790 -23.023) 30.808 13.495 ( -0.240 27.549 2.032) 27.625 14.856 ( 4.804 -21.980 -2.340) 22.621 ======================= Grid point 282 (98/200) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( 0.000 11.463 10.422) 15.492 2.771 ( 0.000 11.413 8.848) 14.441 3.364 ( -0.000 -2.461 4.674) 5.282 4.511 ( -0.000 -6.125 9.928) 11.665 4.511 ( 0.000 18.531 13.542) 22.952 5.055 ( 0.000 12.204 -0.656) 12.222 6.226 ( -0.000 -16.606 21.694) 27.320 6.378 ( -0.000 -5.082 17.111) 17.849 6.838 ( 0.000 28.755 38.546) 48.090 7.746 ( -0.000 -20.922 -0.689) 20.934 7.951 ( 0.000 2.292 8.312) 8.622 8.515 ( 0.000 0.650 -4.943) 4.986 8.612 ( 0.000 0.831 0.222) 0.860 9.180 ( 0.000 1.134 8.438) 8.514 9.217 ( -0.000 -4.860 4.021) 6.308 9.275 ( -0.000 -0.637 -4.407) 4.453 9.428 ( -0.000 -2.922 7.631) 8.172 9.675 ( -0.000 -8.968 4.479) 10.024 9.838 ( -0.000 -0.654 3.103) 3.171 9.960 ( -0.000 -4.858 6.138) 7.828 12.721 ( 0.000 4.804 -13.792) 14.605 12.804 ( -0.000 -6.861 -25.591) 26.495 13.176 ( 0.000 21.624 -2.262) 21.742 15.137 ( -0.000 -18.433 -3.318) 18.729 ======================= Grid point 289 (99/200) ======================= q-point: ( 0.44 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.003 ( 0.478 -0.000 12.051) 12.061 3.065 ( -7.305 0.000 2.571) 7.744 3.208 ( 4.680 -0.000 -3.260) 5.703 4.519 ( -18.053 0.000 10.677) 20.974 5.090 ( 17.248 -0.000 6.666) 18.491 5.339 ( 9.152 -0.000 13.100) 15.980 5.710 ( -16.748 0.000 4.818) 17.427 6.110 ( -3.724 0.000 3.622) 5.195 7.304 ( 6.230 -0.000 16.969) 18.076 7.726 ( 0.435 -0.000 16.404) 16.410 7.877 ( -8.019 0.000 24.749) 26.016 8.432 ( 7.093 -0.000 -1.924) 7.349 8.588 ( 3.803 -0.000 -0.812) 3.889 8.952 ( -7.498 0.000 3.367) 8.219 9.256 ( -2.772 0.000 4.582) 5.356 9.331 ( 3.023 -0.000 12.075) 12.448 9.345 ( -2.570 0.000 3.685) 4.493 9.616 ( 9.282 -0.000 0.889) 9.324 9.792 ( -5.480 0.000 4.181) 6.893 10.009 ( -13.214 0.000 -4.141) 13.848 12.274 ( 23.562 -0.000 -21.648) 31.997 13.059 ( -23.639 0.000 -26.787) 35.726 14.084 ( 1.842 -0.000 7.381) 7.607 14.364 ( 4.438 -0.000 -2.428) 5.058 ======================= Grid point 291 (100/200) ======================= q-point: (-0.44 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.968 ( 0.000 6.130 10.873) 12.482 2.972 ( 0.000 4.895 3.547) 6.045 3.277 ( -0.000 -3.786 -1.969) 4.267 4.381 ( -0.000 -3.610 11.787) 12.327 5.051 ( 0.000 26.105 12.101) 28.773 5.392 ( 0.000 13.398 -0.496) 13.407 5.691 ( -0.000 -25.976 15.587) 30.294 6.156 ( -0.000 -11.386 0.467) 11.396 7.394 ( -0.000 -7.547 12.398) 14.515 7.517 ( 0.000 25.035 30.603) 39.538 7.915 ( -0.000 -7.069 15.996) 17.488 8.537 ( 0.000 0.713 -3.937) 4.001 8.596 ( -0.000 -3.650 -3.071) 4.770 8.919 ( -0.000 -5.703 5.326) 7.803 9.215 ( 0.000 1.322 5.345) 5.506 9.353 ( -0.000 -3.399 4.430) 5.584 9.372 ( -0.000 -1.615 13.563) 13.659 9.664 ( 0.000 8.024 -0.867) 8.071 9.815 ( -0.000 -0.827 -2.158) 2.311 9.847 ( -0.000 -5.768 1.690) 6.010 12.674 ( -0.000 -2.753 -23.312) 23.474 12.690 ( -0.000 -2.584 -25.114) 25.247 13.856 ( 0.000 29.418 6.595) 30.148 14.617 ( -0.000 -24.608 -0.100) 24.609 ======================= Grid point 332 (101/200) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 0.000 0.000 19.570) 19.570 2.684 ( 0.000 0.000 22.698) 22.698 3.615 ( 0.000 0.000 19.668) 19.668 4.647 ( 0.000 0.000 23.529) 23.529 4.721 ( 0.000 0.000 12.085) 12.085 5.146 ( 0.000 0.000 8.587) 8.587 6.016 ( 0.000 0.000 53.833) 53.833 6.892 ( 0.000 0.000 25.539) 25.539 7.323 ( 0.000 0.000 -9.168) 9.168 8.027 ( 0.000 0.000 33.557) 33.557 8.308 ( 0.000 0.000 0.945) 0.945 8.626 ( 0.000 0.000 -23.831) 23.831 8.802 ( 0.000 0.000 18.152) 18.152 9.010 ( 0.000 0.000 9.449) 9.449 9.327 ( 0.000 0.000 5.131) 5.131 9.693 ( 0.000 0.000 5.201) 5.201 9.777 ( 0.000 0.000 -25.524) 25.524 10.016 ( 0.000 0.000 5.705) 5.705 10.092 ( 0.000 0.000 19.202) 19.202 10.990 ( 0.000 0.000 -12.659) 12.659 11.418 ( 0.000 0.000 35.924) 35.924 12.699 ( 0.000 0.000 -28.477) 28.477 12.734 ( 0.000 0.000 -26.673) 26.673 15.298 ( 0.000 0.000 -15.314) 15.314 ======================= Grid point 333 (102/200) ======================= q-point: ( 0.11 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 4.152 -2.229 18.768) 19.351 2.705 ( 2.354 -1.105 20.902) 21.063 3.623 ( 0.659 0.069 16.927) 16.940 4.631 ( 0.107 2.101 22.574) 22.672 4.767 ( 3.721 -1.546 14.032) 14.599 5.211 ( 10.067 2.186 6.737) 12.309 6.140 ( 6.675 -9.602 51.712) 53.017 6.895 ( 0.043 0.242 24.947) 24.948 7.263 ( -4.974 2.681 -5.966) 8.217 7.939 ( -10.745 -2.607 24.816) 27.168 8.375 ( 6.666 -0.415 0.175) 6.681 8.598 ( 0.627 5.664 -13.764) 14.897 8.797 ( -0.962 -0.967 13.664) 13.732 8.997 ( 0.435 2.648 9.668) 10.033 9.396 ( 8.163 0.579 4.559) 9.368 9.671 ( -1.259 1.276 4.386) 4.738 9.689 ( -8.583 2.352 -22.981) 24.643 9.976 ( -2.432 5.017 8.179) 9.899 10.146 ( 4.226 -4.546 16.850) 17.957 10.847 ( -2.629 16.376 -4.196) 17.108 11.526 ( -3.747 -19.588 26.211) 32.935 12.679 ( 2.199 9.246 -27.136) 28.753 12.828 ( 10.196 -3.264 -27.419) 29.435 15.210 ( -10.937 -0.856 -15.445) 18.945 ======================= Grid point 334 (103/200) ======================= q-point: ( 0.22 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( 5.653 -3.616 16.671) 17.971 2.808 ( 5.688 -4.566 15.354) 16.999 3.618 ( -0.083 2.419 11.237) 11.494 4.637 ( 2.951 -0.223 20.730) 20.940 4.852 ( 2.001 -4.417 16.538) 17.234 5.441 ( 21.361 4.036 4.078) 22.119 6.382 ( 6.445 -8.126 43.228) 44.455 6.810 ( -6.574 9.787 12.174) 16.947 7.180 ( -2.949 -6.727 12.957) 14.894 7.790 ( -12.823 -7.027 13.380) 19.820 8.490 ( 3.782 1.534 7.495) 8.534 8.522 ( 2.550 7.697 -9.321) 12.354 8.801 ( 0.595 -0.189 9.453) 9.474 8.978 ( 1.890 2.911 9.348) 9.972 9.465 ( -13.263 2.773 -15.623) 20.681 9.562 ( 12.285 2.444 3.376) 12.972 9.638 ( -1.046 0.510 3.539) 3.725 9.844 ( -2.582 8.518 5.565) 10.497 10.295 ( 4.156 -6.592 15.589) 17.428 10.591 ( -4.108 15.582 0.903) 16.140 11.696 ( -7.310 -24.491 17.694) 31.086 12.568 ( 3.731 17.763 -24.798) 30.731 13.106 ( 17.078 -3.924 -27.135) 32.301 14.970 ( -18.880 -1.337 -16.272) 24.960 ======================= Grid point 335 (104/200) ======================= q-point: ( 0.33 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( 5.648 -4.067 11.145) 13.140 2.980 ( 6.548 -7.239 11.466) 15.058 3.554 ( -2.054 5.600 5.852) 8.357 4.733 ( 5.466 -1.919 22.681) 23.409 4.963 ( 2.961 -10.494 13.561) 17.401 5.780 ( 23.318 5.323 4.713) 24.378 6.320 ( -9.928 17.467 14.229) 24.620 6.627 ( -3.457 -1.160 12.529) 13.049 7.338 ( 1.810 -17.547 27.617) 32.770 7.697 ( -8.468 -8.417 12.872) 17.557 8.365 ( -0.107 14.970 10.688) 18.394 8.591 ( 0.938 -5.119 1.638) 5.456 8.801 ( 2.133 4.600 7.269) 8.863 9.010 ( 3.471 0.671 4.571) 5.779 9.232 ( -11.140 -0.755 -7.901) 13.678 9.580 ( -3.183 5.962 5.218) 8.538 9.640 ( 0.397 2.938 4.245) 5.177 9.821 ( 10.576 6.041 -3.215) 12.597 10.336 ( 1.699 9.608 6.879) 11.938 10.460 ( -2.805 -6.774 9.825) 12.259 11.853 ( -10.067 -27.136 9.940) 30.603 12.396 ( 5.828 24.680 -19.632) 32.070 13.464 ( 20.751 -2.744 -25.963) 33.350 14.632 ( -22.952 -1.189 -18.166) 29.296 ======================= Grid point 336 (105/200) ======================= q-point: ( 0.44 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( 2.101 -1.403 7.668) 8.073 3.182 ( 5.667 -7.792 10.792) 14.467 3.425 ( -3.727 6.830 0.732) 7.815 4.806 ( 1.745 -0.179 26.732) 26.789 5.253 ( 10.725 -18.759 7.519) 22.880 5.726 ( -13.016 20.365 10.315) 26.278 6.222 ( 18.002 6.282 2.001) 19.171 6.539 ( -10.801 -3.251 6.416) 12.976 7.503 ( -2.199 -7.515 19.847) 21.336 7.764 ( 2.252 -10.728 19.785) 22.619 8.172 ( -1.542 13.177 25.976) 29.167 8.657 ( -0.849 -5.333 4.566) 7.072 8.775 ( 1.807 4.697 7.056) 8.666 8.986 ( -2.741 1.581 -7.078) 7.753 9.215 ( 2.009 -6.443 2.072) 7.060 9.406 ( -4.419 8.611 4.201) 10.551 9.656 ( 0.663 -2.168 1.008) 2.481 9.843 ( 1.575 6.379 -0.815) 6.621 10.354 ( 11.022 6.506 5.000) 13.741 10.465 ( -8.541 -7.987 8.236) 14.303 12.002 ( -9.887 -26.514 0.073) 28.298 12.204 ( 7.857 26.169 -10.468) 29.260 13.850 ( 22.764 -1.054 -24.221) 33.257 14.249 ( -23.750 -0.363 -20.496) 31.373 ======================= Grid point 342 (106/200) ======================= q-point: ( 0.11 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( 6.858 -0.000 17.826) 19.099 2.740 ( 3.241 -0.000 18.739) 19.017 3.646 ( 1.526 -0.000 13.272) 13.360 4.643 ( 0.139 -0.000 20.999) 20.999 4.787 ( 0.315 -0.000 16.298) 16.301 5.491 ( 21.410 -0.000 4.360) 21.850 6.284 ( 15.908 -0.000 49.140) 51.651 6.901 ( 0.029 -0.000 25.710) 25.710 7.147 ( -10.902 0.000 -7.400) 13.176 7.676 ( -17.306 0.000 18.125) 25.060 8.475 ( 3.563 -0.000 2.656) 4.444 8.642 ( 1.340 -0.000 -3.307) 3.568 8.800 ( 2.343 -0.000 8.613) 8.926 9.021 ( 0.554 -0.000 7.909) 7.928 9.505 ( -14.319 0.000 -19.340) 24.064 9.594 ( 14.838 -0.000 2.660) 15.074 9.642 ( -2.583 0.000 3.884) 4.665 10.014 ( -0.248 0.000 6.507) 6.512 10.138 ( 1.058 -0.000 15.871) 15.906 10.901 ( -5.254 0.000 -12.330) 13.403 11.291 ( -7.665 0.000 32.768) 33.653 12.903 ( 10.036 -0.000 -24.469) 26.448 12.941 ( 12.808 -0.000 -26.607) 29.529 14.945 ( -19.522 0.000 -16.563) 25.601 ======================= Grid point 343 (107/200) ======================= q-point: ( 0.22 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 6.019 -0.978 14.372) 15.613 2.846 ( 5.916 -4.103 14.699) 16.368 3.651 ( 0.104 2.356 8.208) 8.540 4.668 ( 2.534 -2.098 18.328) 18.621 4.797 ( -1.381 -3.865 17.406) 17.883 5.884 ( 26.155 2.662 4.399) 26.655 6.561 ( 14.808 5.835 37.227) 40.487 6.820 ( -9.020 11.998 4.713) 15.733 6.978 ( -6.488 -11.593 18.527) 22.798 7.444 ( -15.737 -10.666 12.233) 22.606 8.484 ( -2.384 -1.903 8.530) 9.059 8.628 ( 0.049 5.770 1.616) 5.992 8.874 ( 5.936 0.988 4.602) 7.576 9.023 ( 0.453 0.080 5.342) 5.362 9.253 ( -13.335 1.619 -9.904) 16.689 9.598 ( -2.585 -0.138 3.503) 4.356 9.828 ( 9.033 6.989 6.531) 13.157 9.954 ( 6.476 5.171 -0.296) 8.293 10.214 ( -0.905 -9.168 9.634) 13.330 10.679 ( -7.011 14.613 -2.678) 16.427 11.279 ( -10.943 -20.118 19.644) 30.172 12.928 ( 11.898 19.605 -20.848) 30.993 13.304 ( 16.966 -11.083 -23.602) 31.108 14.586 ( -24.215 -1.693 -18.858) 30.739 ======================= Grid point 344 (108/200) ======================= q-point: ( 0.33 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( 4.173 -2.754 8.961) 10.262 3.009 ( 6.889 -5.840 11.303) 14.468 3.581 ( -3.131 5.514 3.989) 7.491 4.747 ( -0.204 -3.611 22.053) 22.348 4.896 ( 6.192 -11.248 11.562) 17.279 6.187 ( 10.019 15.314 11.708) 21.725 6.424 ( -6.239 12.777 0.177) 14.219 6.531 ( -7.472 2.841 8.273) 11.504 7.235 ( 12.624 -12.916 28.610) 33.834 7.425 ( -6.748 -17.467 15.258) 24.154 8.468 ( -2.822 0.446 14.932) 15.203 8.502 ( -4.587 6.040 8.058) 11.065 8.907 ( 0.118 1.877 -1.330) 2.303 9.069 ( -3.061 -2.265 -2.244) 4.420 9.079 ( 3.027 2.572 6.329) 7.472 9.561 ( -2.365 0.520 3.789) 4.497 9.688 ( -4.523 9.176 5.075) 11.420 10.083 ( 6.017 9.287 -1.888) 11.226 10.259 ( -7.846 -6.215 2.394) 10.292 10.494 ( 6.239 5.561 5.113) 9.798 11.353 ( -12.225 -25.778 6.684) 29.302 12.857 ( 12.101 26.249 -13.675) 31.976 13.731 ( 19.452 -9.494 -21.271) 30.348 14.198 ( -25.248 -3.005 -21.674) 33.410 ======================= Grid point 345 (109/200) ======================= q-point: ( 0.44 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( 0.445 -0.702 7.029) 7.078 3.201 ( 6.451 -6.377 9.602) 13.209 3.424 ( -6.311 6.825 0.594) 9.315 4.752 ( -3.331 -3.542 24.739) 25.212 5.253 ( 14.438 -17.532 6.166) 23.534 5.792 ( -11.999 24.520 8.117) 28.480 6.123 ( -24.615 -1.875 2.835) 24.849 6.647 ( 14.514 4.865 7.800) 17.181 7.528 ( 9.612 -5.575 16.784) 20.129 7.636 ( 4.813 -17.811 17.127) 25.174 8.217 ( -9.785 14.074 27.345) 32.273 8.500 ( -3.658 -7.802 6.023) 10.514 8.908 ( 2.106 -0.367 -2.050) 2.962 9.008 ( 2.714 7.944 4.970) 9.756 9.203 ( 4.883 -5.794 3.366) 8.292 9.419 ( -6.123 8.205 3.582) 10.847 9.620 ( -1.171 -3.234 2.112) 4.036 9.924 ( -4.624 11.606 -1.658) 12.603 10.169 ( -12.268 -9.014 4.279) 15.813 10.622 ( 9.439 5.180 9.336) 14.251 11.506 ( -6.602 -28.308 -8.865) 30.390 12.724 ( 11.481 29.745 -4.815) 32.246 13.811 ( -24.284 -3.515 -25.767) 35.582 14.176 ( 20.617 -7.171 -17.356) 27.887 ======================= Grid point 346 (110/200) ======================= q-point: (-0.44 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( -2.727 2.281 7.969) 8.726 3.177 ( -7.512 8.905 8.163) 14.225 3.403 ( 3.810 -7.008 3.170) 8.584 4.722 ( -4.346 -2.016 25.078) 25.531 5.300 ( -10.245 17.584 5.813) 21.164 5.672 ( -17.042 -3.679 6.387) 18.568 5.853 ( 8.695 -20.139 3.267) 22.177 6.757 ( 7.210 7.213 15.479) 18.537 7.728 ( 10.263 7.987 19.324) 23.293 7.827 ( -1.704 5.980 18.520) 19.536 7.950 ( -5.954 -15.494 14.109) 21.784 8.528 ( -4.549 -7.770 5.960) 10.798 8.912 ( 2.753 11.984 3.031) 12.664 8.982 ( -0.674 -2.437 0.226) 2.539 9.286 ( 2.390 3.647 4.096) 5.983 9.379 ( 4.917 -8.157 5.107) 10.807 9.631 ( -3.060 -2.721 0.509) 4.126 9.748 ( -5.918 2.984 -0.488) 6.645 10.099 ( -7.100 -9.611 4.652) 12.823 10.622 ( -1.813 4.938 14.386) 15.318 11.786 ( 1.734 -24.676 -20.146) 31.902 12.550 ( 9.706 29.963 3.481) 31.687 13.456 ( -22.531 -2.599 -27.135) 35.365 14.594 ( 20.261 -5.282 -15.529) 26.069 ======================= Grid point 347 (111/200) ======================= q-point: (-0.33 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( -4.184 5.328 11.901) 13.694 2.942 ( -8.047 7.267 10.027) 14.769 3.532 ( 2.802 -4.884 7.687) 9.529 4.652 ( -4.613 0.753 22.982) 23.453 4.998 ( -6.923 9.164 11.176) 16.026 5.327 ( -22.026 -5.059 3.176) 22.822 6.377 ( 18.450 -16.238 11.060) 26.952 6.732 ( 2.244 9.628 22.179) 24.283 7.449 ( -9.407 15.297 31.458) 36.223 7.918 ( 9.496 3.387 9.309) 13.723 8.153 ( -0.745 -18.933 -0.562) 18.956 8.504 ( -6.504 -2.844 1.971) 7.367 8.820 ( -0.833 2.702 4.127) 5.003 8.964 ( -0.757 2.797 5.809) 6.492 9.395 ( 8.382 -2.994 -1.141) 8.973 9.491 ( -5.019 -3.816 6.260) 8.884 9.603 ( -1.891 -3.152 1.596) 4.007 9.695 ( 3.343 -2.594 0.919) 4.330 10.182 ( -0.622 -13.024 6.039) 14.370 10.484 ( -7.625 2.826 13.828) 16.041 12.096 ( 5.198 -15.681 -21.479) 27.097 12.356 ( 7.112 25.292 6.982) 27.185 13.125 ( -19.955 -1.522 -27.771) 34.230 14.958 ( 16.929 -3.371 -14.297) 22.414 ======================= Grid point 348 (112/200) ======================= q-point: (-0.22 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( -3.034 6.148 15.912) 17.326 2.765 ( -4.833 4.146 15.583) 16.834 3.605 ( 1.157 -1.913 12.282) 12.484 4.587 ( -2.144 -0.570 22.018) 22.129 4.820 ( -6.490 3.084 12.513) 14.430 5.120 ( -9.706 -5.054 5.891) 12.428 6.527 ( 1.621 20.432 43.341) 47.943 6.820 ( 7.539 -8.169 13.914) 17.809 7.214 ( -4.584 1.066 14.656) 15.393 8.018 ( 7.214 3.163 14.474) 16.479 8.326 ( -3.048 -13.775 -3.552) 14.549 8.408 ( -4.283 -0.815 -8.171) 9.262 8.826 ( 0.741 -1.514 8.576) 8.741 8.926 ( -0.350 0.813 10.523) 10.560 9.374 ( -6.955 -1.117 4.804) 8.526 9.598 ( 7.202 -4.794 -10.684) 13.748 9.619 ( -0.515 -3.052 3.667) 4.798 9.860 ( 7.942 -4.475 6.125) 10.982 10.217 ( -8.533 -0.647 15.337) 17.563 10.456 ( 0.195 -13.859 3.017) 14.185 12.080 ( 3.492 24.645 14.958) 29.040 12.425 ( 6.938 -10.575 -26.067) 28.973 12.840 ( -15.838 -1.651 -27.782) 32.022 15.216 ( 10.071 -1.457 -14.193) 17.464 ======================= Grid point 349 (113/200) ======================= q-point: (-0.11 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( 0.000 4.856 17.478) 18.140 2.694 ( 0.000 1.468 20.759) 20.810 3.622 ( 0.000 0.048 16.343) 16.343 4.596 ( -0.000 -3.032 23.314) 23.510 4.735 ( 0.000 1.182 11.433) 11.494 5.097 ( -0.000 -3.878 8.172) 9.046 6.275 ( 0.000 20.243 50.314) 54.234 6.898 ( 0.000 0.194 24.407) 24.408 7.250 ( -0.000 -6.102 -1.714) 6.339 8.059 ( 0.000 2.186 25.388) 25.482 8.318 ( 0.000 0.431 2.171) 2.213 8.491 ( -0.000 -10.786 -23.214) 25.597 8.830 ( 0.000 2.103 13.664) 13.825 8.949 ( -0.000 -4.300 11.127) 11.929 9.320 ( -0.000 -0.542 5.306) 5.334 9.650 ( -0.000 -3.094 4.551) 5.503 9.722 ( -0.000 -4.380 -19.852) 20.330 9.994 ( -0.000 -1.776 6.547) 6.784 10.102 ( 0.000 0.354 18.188) 18.192 10.661 ( -0.000 -17.977 0.548) 17.986 11.818 ( 0.000 24.163 20.658) 31.790 12.624 ( -0.000 -5.979 -28.597) 29.215 12.690 ( -0.000 -3.506 -26.940) 27.167 15.310 ( 0.000 0.202 -14.786) 14.788 ======================= Grid point 352 (114/200) ======================= q-point: ( 0.22 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( 4.754 -0.000 9.921) 11.001 2.937 ( 7.062 -0.000 12.470) 14.331 3.651 ( -2.422 0.000 5.146) 5.687 4.702 ( 4.255 -0.000 14.764) 15.365 4.750 ( -0.916 0.000 17.145) 17.169 6.346 ( 26.568 -0.000 6.214) 27.286 6.565 ( -24.124 0.000 -1.443) 24.167 6.842 ( -4.362 0.000 20.456) 20.916 6.935 ( 3.775 -0.000 21.023) 21.359 7.118 ( 2.118 -0.000 19.175) 19.291 8.417 ( -3.498 0.000 7.178) 7.985 8.656 ( -0.862 0.000 10.787) 10.821 8.924 ( -10.503 0.000 -2.586) 10.817 8.985 ( 5.911 -0.000 2.206) 6.309 9.155 ( -0.028 0.000 6.294) 6.294 9.554 ( -2.301 0.000 4.100) 4.702 9.944 ( -4.678 0.000 3.354) 5.756 9.951 ( -6.564 0.000 11.092) 12.889 10.339 ( 21.567 -0.000 -10.223) 23.868 10.653 ( -9.407 0.000 -11.148) 14.587 10.916 ( -14.373 0.000 25.211) 29.021 13.360 ( 15.930 -0.000 -17.290) 23.510 13.431 ( 15.332 -0.000 -17.602) 23.343 14.155 ( -25.538 0.000 -21.780) 33.564 ======================= Grid point 353 (115/200) ======================= q-point: ( 0.33 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( 3.727 -0.448 6.225) 7.269 3.068 ( 6.269 -3.714 8.873) 11.482 3.558 ( -6.352 3.425 3.048) 7.834 4.720 ( 0.745 2.151 17.705) 17.850 4.897 ( 9.275 -11.848 9.640) 17.870 6.116 ( -28.166 0.555 1.336) 28.203 6.409 ( -13.028 27.164 8.491) 31.301 6.729 ( 15.919 1.828 9.954) 18.864 7.055 ( -4.280 -26.071 10.787) 28.538 7.460 ( 20.677 -2.897 21.599) 30.041 8.381 ( -2.461 -2.428 5.400) 6.412 8.548 ( -4.891 12.281 19.310) 23.401 8.812 ( -4.624 -6.455 5.561) 9.694 9.089 ( 5.085 -1.943 2.075) 5.825 9.177 ( 4.118 2.930 7.183) 8.783 9.525 ( -1.817 -0.442 4.583) 4.950 9.680 ( -10.164 9.386 3.738) 14.331 9.938 ( -10.276 -10.198 3.820) 14.973 10.305 ( -8.231 19.344 -5.613) 21.759 10.701 ( 6.221 1.229 12.647) 14.148 10.886 ( -0.597 -23.527 -9.811) 25.498 13.367 ( 11.185 23.909 -11.302) 28.713 13.728 ( -19.032 -3.197 -24.413) 31.120 13.910 ( 13.535 -14.578 -13.132) 23.837 ======================= Grid point 354 (116/200) ======================= q-point: (-0.56 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.993 ( 0.904 1.779 5.415) 5.770 3.230 ( 5.574 -6.570 6.195) 10.612 3.369 ( -9.250 6.023 2.714) 11.367 4.708 ( 0.942 2.299 18.758) 18.922 5.289 ( 13.975 -18.894 3.849) 23.813 5.642 ( -28.021 -1.014 4.300) 28.367 5.866 ( -13.552 23.800 4.461) 27.749 6.860 ( 2.129 -1.485 15.124) 15.345 7.371 ( 6.300 -20.502 5.444) 22.128 7.765 ( 11.849 -2.094 12.406) 17.283 8.261 ( -6.473 18.319 28.259) 34.294 8.387 ( -1.439 -3.733 4.319) 5.887 8.875 ( 0.561 -6.907 9.007) 11.365 9.170 ( 4.369 6.413 3.448) 8.492 9.234 ( 4.132 -2.575 4.323) 6.511 9.393 ( -6.167 5.515 4.881) 9.606 9.546 ( -3.031 -3.151 3.315) 5.487 9.862 ( -10.786 -7.003 1.187) 12.915 9.969 ( -7.685 11.362 0.043) 13.717 10.638 ( -11.446 -5.229 14.825) 19.446 11.291 ( 15.673 -15.253 -20.908) 30.256 13.190 ( -3.002 17.428 -12.354) 21.573 13.433 ( -9.739 7.929 -16.970) 21.111 14.365 ( 16.812 -14.411 -11.190) 24.810 ======================= Grid point 355 (117/200) ======================= q-point: (-0.44 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( -1.283 4.207 6.957) 8.230 3.128 ( -9.491 7.532 4.925) 13.080 3.393 ( 4.391 -6.716 5.988) 10.012 4.692 ( 0.979 3.618 19.126) 19.490 5.193 ( -24.836 -2.213 7.941) 26.169 5.340 ( -11.461 15.362 1.010) 19.193 5.910 ( 19.335 -20.730 3.160) 28.523 6.878 ( -1.736 -1.671 17.248) 17.415 7.662 ( -0.022 -13.630 5.248) 14.605 7.844 ( -3.878 5.461 19.234) 20.367 8.015 ( 6.477 10.995 20.386) 24.051 8.410 ( -1.114 -3.342 3.358) 4.866 8.874 ( -8.199 -0.227 3.216) 8.810 9.107 ( 4.326 8.290 -0.250) 9.354 9.319 ( 2.715 -4.256 10.842) 11.960 9.410 ( 2.807 -1.093 6.238) 6.928 9.519 ( -2.778 -3.743 3.147) 5.624 9.720 ( -3.382 4.161 -1.356) 5.531 9.900 ( -2.869 -10.245 5.119) 11.806 10.478 ( -14.061 -4.326 12.506) 19.309 11.719 ( 15.593 -13.047 -23.486) 31.064 12.907 ( -11.817 8.115 -15.983) 21.469 13.187 ( -2.386 18.306 -6.968) 19.732 14.781 ( 14.143 -12.055 -10.242) 21.219 ======================= Grid point 356 (118/200) ======================= q-point: (-0.33 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( -1.665 6.185 10.497) 12.297 2.903 ( -6.161 7.464 8.768) 13.060 3.523 ( 2.608 -5.078 7.884) 9.734 4.644 ( -0.126 5.902 19.044) 19.938 4.880 ( -14.043 -0.996 9.291) 16.868 5.061 ( -6.669 4.482 4.153) 9.045 6.481 ( 18.117 -19.304 4.674) 26.883 6.851 ( -1.922 0.660 19.251) 19.358 7.428 ( -10.920 17.808 35.114) 40.858 7.935 ( -0.272 -15.046 -2.330) 15.228 8.078 ( 5.511 1.975 11.653) 13.041 8.412 ( -1.679 -0.217 -1.089) 2.013 8.746 ( -5.272 -2.259 4.311) 7.175 9.073 ( 2.465 8.993 1.658) 9.471 9.352 ( -5.035 -0.489 4.990) 7.106 9.461 ( 4.387 -6.933 8.800) 12.031 9.557 ( -0.378 -1.758 2.833) 3.356 9.761 ( 7.193 -4.133 2.146) 8.569 10.024 ( 0.254 -11.843 6.804) 13.661 10.293 ( -12.641 -4.055 9.952) 16.591 12.110 ( 14.686 -10.377 -24.822) 30.651 12.627 ( -12.097 5.181 -14.841) 19.836 12.915 ( -3.204 20.019 -3.387) 20.555 15.099 ( 8.549 -9.122 -10.635) 16.413 ======================= Grid point 357 (119/200) ======================= q-point: (-0.22 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( 0.000 7.186 12.428) 14.356 2.776 ( 0.000 5.548 14.630) 15.646 3.592 ( -0.000 -2.939 10.635) 11.034 4.580 ( 0.000 3.073 20.323) 20.554 4.767 ( 0.000 0.558 9.578) 9.595 5.002 ( -0.000 -2.489 7.019) 7.447 6.768 ( 0.000 9.194 24.524) 26.191 6.863 ( -0.000 -4.544 18.771) 19.313 7.120 ( 0.000 5.121 25.676) 26.182 8.106 ( 0.000 1.631 14.281) 14.374 8.114 ( -0.000 -16.489 -8.110) 18.376 8.378 ( 0.000 1.508 -5.614) 5.813 8.765 ( -0.000 -6.172 7.746) 9.904 8.992 ( 0.000 7.584 6.080) 9.720 9.308 ( -0.000 -0.333 5.568) 5.577 9.576 ( -0.000 -2.735 3.247) 4.245 9.589 ( -0.000 -6.823 -1.088) 6.909 9.922 ( -0.000 -5.013 3.896) 6.349 10.079 ( -0.000 -2.753 14.796) 15.050 10.286 ( -0.000 -13.108 3.387) 13.538 12.354 ( 0.000 12.743 -0.284) 12.746 12.451 ( -0.000 -7.983 -28.049) 29.163 12.662 ( 0.000 9.894 -12.493) 15.936 15.259 ( -0.000 -5.426 -12.189) 13.342 ======================= Grid point 362 (120/200) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( 4.287 -0.000 2.495) 4.960 3.124 ( 3.706 -0.000 7.225) 8.120 3.446 ( -9.271 0.000 3.467) 9.898 4.833 ( 6.906 -0.000 12.912) 14.643 4.948 ( 9.312 -0.000 6.282) 11.233 5.634 ( -28.068 0.000 5.053) 28.519 6.382 ( -18.573 0.000 2.821) 18.786 6.587 ( -10.907 0.000 9.935) 14.753 7.153 ( 20.766 -0.000 8.853) 22.574 7.736 ( 12.632 -0.000 13.601) 18.562 8.346 ( -0.105 0.000 3.204) 3.206 8.619 ( -6.312 0.000 18.710) 19.746 8.661 ( 2.288 -0.000 21.919) 22.038 9.164 ( 5.166 -0.000 2.779) 5.866 9.272 ( 5.176 -0.000 6.127) 8.021 9.495 ( -1.764 0.000 4.793) 5.107 9.526 ( -14.648 0.000 2.102) 14.798 9.711 ( -7.860 0.000 2.113) 8.139 10.299 ( -11.437 0.000 -8.552) 14.281 10.393 ( -16.083 0.000 15.105) 22.064 11.126 ( 23.209 -0.000 -15.267) 27.781 13.266 ( -23.322 0.000 -28.264) 36.644 13.903 ( 12.330 -0.000 -4.554) 13.144 13.946 ( 14.006 -0.000 -7.858) 16.060 ======================= Grid point 363 (121/200) ======================= q-point: (-0.56 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.058 ( 2.017 4.869 2.844) 5.989 3.208 ( -1.261 -4.613 0.332) 4.793 3.283 ( -4.787 1.176 8.787) 10.075 4.855 ( 5.133 10.370 9.723) 15.114 5.094 ( -15.660 -6.746 5.912) 18.047 5.407 ( 8.737 -11.452 5.375) 15.375 5.891 ( -15.608 21.307 1.817) 26.475 6.565 ( -13.784 -21.196 6.258) 26.047 7.468 ( 14.349 -2.218 9.330) 17.259 7.865 ( 2.922 -0.620 8.487) 8.998 8.364 ( 1.259 0.481 3.282) 3.548 8.414 ( -1.484 15.166 27.916) 31.804 8.777 ( -1.510 -7.877 13.799) 15.961 9.204 ( -4.621 -1.561 7.830) 9.225 9.315 ( 4.625 5.570 1.592) 7.413 9.397 ( 4.256 -1.582 6.670) 8.069 9.451 ( -5.163 -0.962 3.546) 6.337 9.660 ( -2.493 -6.611 3.240) 7.773 9.960 ( -10.802 12.766 -0.307) 16.726 10.276 ( -15.116 -12.291 5.439) 20.227 11.522 ( 21.147 -3.923 -18.639) 28.461 12.896 ( -22.048 -1.766 -27.826) 35.546 13.810 ( 8.725 27.355 0.323) 28.714 14.392 ( 11.394 -20.882 -5.364) 24.386 ======================= Grid point 364 (122/200) ======================= q-point: (-0.44 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.006 ( -0.150 5.989 4.855) 7.711 3.066 ( -6.059 5.700 4.108) 9.278 3.376 ( 2.803 -7.123 6.113) 9.796 4.751 ( -10.121 -2.383 8.228) 13.260 4.918 ( 2.418 12.044 12.006) 17.177 5.346 ( -11.787 17.322 1.572) 21.011 5.966 ( 17.732 -22.843 2.074) 28.992 6.577 ( -14.457 -20.815 5.010) 25.834 7.666 ( 6.312 -2.299 10.312) 12.307 7.844 ( -2.687 6.264 13.792) 15.384 8.221 ( 1.772 12.755 27.599) 30.455 8.410 ( 2.413 0.340 -0.729) 2.543 8.724 ( -8.119 -0.900 3.393) 8.845 9.213 ( 2.266 -3.038 9.264) 10.009 9.349 ( 1.079 1.039 7.483) 7.631 9.361 ( -1.758 2.606 3.924) 5.028 9.522 ( 4.212 -2.597 7.256) 8.782 9.712 ( -4.632 2.939 -0.903) 5.559 9.779 ( 3.940 -8.851 5.020) 10.912 10.149 ( -14.337 -8.521 5.123) 17.447 11.916 ( 19.401 -5.704 -22.183) 30.018 12.574 ( -20.437 -3.618 -26.152) 33.387 13.578 ( 4.136 30.210 4.821) 30.871 14.778 ( 6.874 -18.257 -5.696) 20.323 ======================= Grid point 365 (123/200) ======================= q-point: (-0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( 0.000 6.360 6.881) 9.370 2.934 ( 0.000 7.437 7.749) 10.741 3.482 ( -0.000 -6.301 6.655) 9.164 4.700 ( -0.000 -5.274 8.721) 10.192 4.786 ( 0.000 14.830 14.587) 20.802 5.082 ( 0.000 9.221 3.617) 9.905 6.478 ( -0.000 -22.086 4.891) 22.621 6.609 ( -0.000 -17.784 4.938) 18.456 7.608 ( 0.000 22.295 32.150) 39.124 7.795 ( -0.000 -8.810 6.178) 10.760 8.156 ( 0.000 4.161 14.948) 15.516 8.421 ( 0.000 1.790 -4.067) 4.443 8.660 ( -0.000 -2.339 5.146) 5.652 9.206 ( 0.000 8.693 -1.396) 8.805 9.308 ( 0.000 0.254 5.457) 5.463 9.412 ( -0.000 -6.919 15.318) 16.808 9.542 ( 0.000 0.177 3.037) 3.042 9.749 ( -0.000 -8.650 2.955) 9.141 9.966 ( -0.000 -6.693 8.826) 11.077 10.056 ( -0.000 -7.622 3.384) 8.339 12.285 ( -0.000 -5.667 -25.835) 26.449 12.318 ( -0.000 -6.016 -23.742) 24.492 13.252 ( 0.000 30.720 7.177) 31.547 15.030 ( -0.000 -14.348 -7.574) 16.225 ======================= Grid point 372 (124/200) ======================= q-point: ( 0.44 -0.56 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.103 ( -5.014 0.000 1.853) 5.346 3.159 ( 2.777 -0.000 -1.748) 3.281 3.239 ( -0.315 0.000 10.721) 10.725 4.706 ( -14.679 0.000 7.866) 16.653 5.206 ( 14.802 -0.000 5.132) 15.667 5.501 ( 13.166 -0.000 4.936) 14.061 5.767 ( -18.199 0.000 1.324) 18.247 6.154 ( -13.605 0.000 0.195) 13.606 7.639 ( 6.289 -0.000 15.065) 16.325 7.897 ( 2.059 -0.000 2.462) 3.209 8.411 ( 3.517 -0.000 -1.418) 3.792 8.492 ( -1.714 0.000 34.741) 34.784 8.667 ( -5.223 0.000 5.416) 7.524 9.123 ( -1.647 0.000 17.281) 17.360 9.353 ( -4.189 0.000 4.917) 6.460 9.431 ( 2.129 -0.000 5.988) 6.355 9.493 ( 9.076 -0.000 3.932) 9.891 9.640 ( 4.877 -0.000 1.525) 5.110 9.893 ( -13.257 0.000 5.326) 14.287 9.924 ( -10.567 0.000 -4.199) 11.371 11.849 ( 20.504 -0.000 -20.160) 28.755 12.527 ( -20.855 0.000 -25.975) 33.311 14.201 ( 4.883 -0.000 4.032) 6.333 14.300 ( 5.882 -0.000 -4.144) 7.195 ======================= Grid point 374 (125/200) ======================= q-point: (-0.44 0.44 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.040 ( 0.000 2.674 3.143) 4.126 3.113 ( 0.000 7.685 2.849) 8.196 3.311 ( -0.000 -7.751 5.939) 9.765 4.594 ( -0.000 -2.805 9.292) 9.706 5.251 ( 0.000 23.533 8.805) 25.127 5.373 ( 0.000 13.098 -1.074) 13.142 5.894 ( -0.000 -26.134 5.301) 26.666 6.129 ( -0.000 -18.530 -2.923) 18.759 7.691 ( -0.000 -1.410 16.496) 16.557 7.903 ( 0.000 3.682 2.575) 4.493 8.384 ( 0.000 12.557 33.404) 35.686 8.452 ( 0.000 0.745 -4.205) 4.270 8.624 ( -0.000 -2.231 5.224) 5.681 9.158 ( -0.000 -6.341 19.171) 20.192 9.314 ( 0.000 0.134 5.023) 5.025 9.448 ( 0.000 1.375 6.244) 6.394 9.593 ( 0.000 3.721 6.477) 7.470 9.651 ( 0.000 4.914 -0.293) 4.923 9.795 ( -0.000 -6.679 1.054) 6.761 9.867 ( -0.000 -9.123 0.443) 9.134 12.197 ( -0.000 -1.868 -23.545) 23.619 12.204 ( -0.000 -2.842 -23.245) 23.419 13.963 ( 0.000 28.863 3.937) 29.130 14.592 ( -0.000 -22.703 -2.630) 22.854 ======================= Grid point 415 (126/200) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( 0.000 0.000 12.132) 12.132 3.059 ( 0.000 0.000 15.433) 15.433 3.943 ( 0.000 0.000 13.716) 13.716 4.944 ( 0.000 0.000 9.251) 9.251 5.162 ( 0.000 0.000 27.575) 27.575 5.380 ( 0.000 0.000 15.843) 15.843 7.030 ( 0.000 0.000 47.862) 47.862 7.144 ( 0.000 0.000 -8.349) 8.349 7.351 ( 0.000 0.000 20.426) 20.426 8.023 ( 0.000 0.000 -27.594) 27.594 8.425 ( 0.000 0.000 1.601) 1.601 8.591 ( 0.000 0.000 22.663) 22.663 9.138 ( 0.000 0.000 -11.703) 11.703 9.230 ( 0.000 0.000 24.632) 24.632 9.316 ( 0.000 0.000 -5.062) 5.062 9.419 ( 0.000 0.000 4.228) 4.228 9.839 ( 0.000 0.000 9.735) 9.735 10.128 ( 0.000 0.000 5.083) 5.083 10.447 ( 0.000 0.000 16.033) 16.033 10.723 ( 0.000 0.000 -14.242) 14.242 12.115 ( 0.000 0.000 27.927) 27.927 12.119 ( 0.000 0.000 -29.712) 29.712 12.176 ( 0.000 0.000 -23.093) 23.093 14.953 ( 0.000 0.000 -19.580) 19.580 ======================= Grid point 416 (127/200) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.905 ( 3.324 -1.135 11.335) 11.867 3.055 ( 0.196 0.519 14.625) 14.636 3.910 ( -2.304 2.201 12.126) 12.538 5.021 ( 7.040 0.486 12.372) 14.243 5.139 ( -0.013 1.013 25.503) 25.523 5.397 ( 4.653 2.116 13.485) 14.421 6.994 ( -1.134 5.975 10.869) 12.455 7.170 ( -4.286 -4.599 23.796) 24.612 7.407 ( 5.150 -6.372 22.188) 23.652 7.957 ( -8.094 -0.446 -21.526) 23.002 8.367 ( -0.541 0.701 6.202) 6.265 8.635 ( 7.983 9.749 7.570) 14.699 9.158 ( -4.331 1.611 18.521) 19.088 9.168 ( -3.158 -6.758 -0.157) 7.461 9.293 ( -2.574 0.117 -4.307) 5.019 9.477 ( 6.291 0.555 4.307) 7.645 9.796 ( -2.871 1.823 8.106) 8.790 10.108 ( -1.771 4.597 5.568) 7.434 10.474 ( 2.088 -3.577 14.856) 15.422 10.655 ( -2.343 7.540 -12.446) 14.739 12.109 ( 1.395 4.414 -9.724) 10.770 12.138 ( -2.084 -4.056 11.522) 12.392 12.274 ( 11.068 -3.332 -26.953) 29.327 14.865 ( -11.316 -1.242 -19.470) 22.554 ======================= Grid point 417 (128/200) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( 4.358 -1.826 9.791) 10.872 3.069 ( 1.867 -0.813 11.473) 11.653 3.819 ( -3.656 4.684 9.051) 10.827 5.036 ( -0.097 0.975 19.057) 19.083 5.245 ( 5.430 -4.344 22.107) 23.175 5.532 ( 17.654 4.724 5.968) 19.225 6.795 ( -12.020 11.972 -7.474) 18.539 7.064 ( -5.088 5.867 21.409) 22.774 7.667 ( 5.290 -18.633 32.158) 37.541 7.847 ( -7.749 -6.890 -4.738) 11.400 8.415 ( 6.333 2.280 -0.656) 6.763 8.616 ( 6.489 11.311 -0.298) 13.044 9.053 ( -4.173 2.302 15.675) 16.384 9.186 ( -0.519 1.144 11.383) 11.452 9.250 ( -7.198 -7.631 -2.988) 10.907 9.598 ( 9.257 1.649 1.255) 9.486 9.728 ( -2.476 1.214 5.523) 6.173 9.948 ( -5.044 11.138 4.422) 13.002 10.481 ( -2.783 10.710 -7.559) 13.401 10.595 ( -0.580 -9.263 10.839) 14.270 12.061 ( 8.382 16.526 -20.889) 27.923 12.151 ( -9.345 -14.036 21.515) 27.336 12.575 ( 19.269 -3.207 -25.647) 32.239 14.618 ( -20.277 -2.170 -19.359) 28.118 ======================= Grid point 418 (129/200) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( 2.474 -1.741 8.176) 8.717 3.153 ( 4.807 -3.454 6.283) 8.632 3.683 ( -4.605 6.489 7.089) 10.657 5.091 ( 4.335 -5.681 12.958) 14.797 5.343 ( 1.215 -3.804 25.291) 25.605 5.851 ( 25.041 4.924 2.794) 25.673 6.350 ( -15.561 20.198 -6.123) 26.222 6.892 ( -11.500 0.872 9.619) 15.018 7.850 ( -3.404 -10.122 9.526) 14.310 7.940 ( -1.082 -15.962 22.776) 27.834 8.483 ( 12.398 10.360 1.897) 16.268 8.655 ( 6.054 -0.125 2.994) 6.755 8.966 ( -3.046 2.813 11.144) 11.890 9.132 ( -1.900 4.575 9.418) 10.641 9.232 ( -5.892 -8.737 6.246) 12.250 9.647 ( -2.395 3.052 2.627) 4.685 9.725 ( -3.638 9.909 1.774) 10.704 9.761 ( 7.897 2.859 -0.622) 8.422 10.331 ( 0.989 8.728 -5.388) 10.305 10.646 ( -8.655 -10.553 6.054) 14.931 12.023 ( 14.166 21.457 -12.737) 28.693 12.148 ( -13.141 -17.338 15.039) 26.447 12.963 ( 23.684 -1.252 -24.000) 33.742 14.260 ( -25.502 -2.530 -19.566) 32.243 ======================= Grid point 419 (130/200) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.115 ( 1.011 -0.751 6.209) 6.335 3.284 ( 4.173 -4.353 0.529) 6.054 3.531 ( -4.041 5.462 9.013) 11.287 5.307 ( 8.182 -9.207 10.693) 16.311 5.392 ( 0.620 -3.731 20.205) 20.555 5.824 ( -12.615 16.526 0.473) 20.796 6.256 ( 22.375 4.876 1.557) 22.953 6.652 ( -17.363 -2.401 4.419) 18.077 7.922 ( 0.133 -6.121 14.891) 16.100 7.995 ( -3.542 -2.567 6.824) 8.106 8.624 ( 11.381 3.123 16.413) 20.215 8.773 ( 4.979 -2.429 7.840) 9.600 8.874 ( -6.206 -0.497 8.111) 10.225 9.023 ( -3.502 4.129 9.658) 11.072 9.280 ( 0.828 -6.181 4.537) 7.712 9.471 ( -4.933 8.241 2.801) 10.005 9.679 ( 0.435 -0.412 1.417) 1.539 9.799 ( 1.525 3.643 -2.762) 4.820 10.364 ( 11.602 4.894 -3.892) 13.180 10.551 ( -14.164 -7.214 -0.932) 15.922 12.029 ( 10.873 13.982 -0.362) 17.716 12.125 ( -9.794 -11.961 6.206) 16.658 13.376 ( 24.415 0.688 -23.186) 33.677 13.852 ( -25.316 -2.010 -19.744) 32.168 ======================= Grid point 425 (131/200) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( 5.138 -0.000 10.424) 11.622 3.058 ( -0.023 0.000 13.372) 13.372 3.879 ( -2.965 0.000 10.228) 10.650 5.103 ( -2.892 0.000 24.793) 24.962 5.130 ( 2.948 -0.000 17.806) 18.048 5.586 ( 17.745 -0.000 5.726) 18.646 6.954 ( -9.981 0.000 -8.571) 13.156 7.200 ( 9.107 -0.000 41.116) 42.113 7.402 ( -0.361 0.000 20.994) 20.997 7.726 ( -16.446 0.000 -11.288) 19.947 8.418 ( 5.440 -0.000 1.858) 5.748 8.836 ( 7.050 -0.000 12.199) 14.090 9.027 ( -5.775 0.000 -16.294) 17.287 9.073 ( -5.548 0.000 18.044) 18.878 9.280 ( -0.700 0.000 6.138) 6.178 9.622 ( 10.524 -0.000 1.015) 10.573 9.741 ( -3.952 0.000 6.063) 7.237 10.135 ( -1.348 0.000 5.592) 5.753 10.419 ( -4.023 0.000 11.114) 11.820 10.641 ( -4.773 0.000 -13.807) 14.609 11.934 ( -10.998 0.000 31.967) 33.806 12.411 ( 16.328 -0.000 -26.343) 30.993 12.420 ( 14.793 -0.000 -23.527) 27.791 14.586 ( -20.772 0.000 -19.833) 28.720 ======================= Grid point 426 (132/200) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.047 ( 2.547 0.295 9.883) 10.210 3.083 ( 2.930 -2.499 9.431) 10.187 3.806 ( -3.757 3.203 7.386) 8.884 5.040 ( -0.890 1.174 18.793) 18.850 5.186 ( -1.928 -7.187 21.845) 23.078 5.949 ( 25.774 2.439 2.660) 26.025 6.705 ( -14.243 8.148 -8.268) 18.374 7.099 ( -9.739 16.425 11.240) 22.158 7.537 ( -0.991 -17.935 19.929) 26.829 7.583 ( -2.705 -9.282 16.287) 18.940 8.513 ( 4.324 -1.258 1.866) 4.875 8.839 ( 4.406 9.101 3.079) 10.570 8.984 ( -4.625 -1.177 10.509) 11.542 9.047 ( -0.600 -5.850 3.878) 7.044 9.259 ( 0.860 3.604 8.483) 9.257 9.678 ( -2.770 0.638 4.556) 5.370 9.823 ( 13.901 1.780 -4.022) 14.580 10.004 ( -5.338 11.222 3.781) 12.989 10.385 ( -8.912 -10.628 5.782) 15.027 10.512 ( -5.518 5.370 -11.505) 13.844 11.769 ( -15.599 -9.472 26.899) 32.505 12.534 ( 18.842 17.782 -18.206) 31.665 12.849 ( 21.609 -8.956 -21.605) 31.842 14.197 ( -26.482 -1.886 -20.466) 33.522 ======================= Grid point 427 (133/200) ======================= q-point: ( 0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.082 ( 1.199 -1.574 7.201) 7.468 3.180 ( 3.777 -3.594 5.846) 7.833 3.679 ( -4.963 5.819 5.897) 9.658 5.094 ( 4.487 -6.313 11.452) 13.825 5.233 ( -3.801 -8.820 23.882) 25.741 6.243 ( -3.849 15.401 -4.425) 16.480 6.389 ( 10.029 5.420 -0.306) 11.405 6.705 ( -16.075 8.352 5.413) 18.907 7.617 ( -8.461 -19.599 2.851) 21.536 7.806 ( 7.079 -8.236 27.453) 29.523 8.579 ( -0.192 -4.179 5.605) 6.994 8.863 ( 9.684 6.697 9.319) 15.016 8.900 ( -5.365 2.302 12.146) 13.476 9.115 ( 2.071 -3.553 5.321) 6.724 9.233 ( 2.928 5.694 9.081) 11.111 9.633 ( -2.081 1.525 3.372) 4.246 9.754 ( -7.241 10.321 1.821) 12.739 9.961 ( 6.269 8.897 -7.347) 13.131 10.322 ( -12.961 -10.108 0.852) 16.459 10.444 ( 4.845 -0.185 -8.206) 9.531 11.627 ( -19.474 -15.756 18.831) 31.338 12.624 ( 19.972 22.331 -9.361) 31.388 13.315 ( 22.194 -6.292 -20.258) 30.700 13.778 ( -25.969 -3.437 -20.792) 33.444 ======================= Grid point 428 (134/200) ======================= q-point: ( 0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.110 ( -0.229 -1.112 5.777) 5.887 3.284 ( 1.961 -4.096 -0.007) 4.541 3.528 ( -3.909 4.875 8.634) 10.658 5.261 ( -5.198 -8.445 26.007) 27.833 5.334 ( 9.591 -11.928 2.707) 15.543 5.819 ( -12.433 15.523 -2.859) 20.093 6.215 ( -23.911 2.312 4.837) 24.505 6.758 ( 20.106 5.312 3.703) 21.123 7.729 ( -7.169 -21.782 -3.688) 23.227 7.968 ( 5.794 -1.236 21.208) 22.020 8.617 ( -2.867 -6.453 7.310) 10.163 8.730 ( -7.446 7.413 20.816) 23.317 8.981 ( 9.465 3.483 10.853) 14.816 9.143 ( 2.440 9.140 7.506) 12.076 9.272 ( 4.679 -3.775 4.165) 7.314 9.485 ( -3.753 7.474 3.869) 9.215 9.661 ( -1.103 -1.462 2.218) 2.876 9.851 ( -3.617 7.758 -4.679) 9.755 10.204 ( -13.375 -8.391 -1.146) 15.831 10.656 ( 16.721 0.622 -7.473) 18.325 11.490 ( -22.198 -20.749 8.163) 31.463 12.669 ( 17.594 23.637 -0.601) 29.473 13.317 ( -24.516 -3.289 -23.666) 34.234 13.836 ( 23.496 -3.991 -17.020) 29.286 ======================= Grid point 429 (135/200) ======================= q-point: (-0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.097 ( -1.649 0.361 6.563) 6.777 3.243 ( -6.087 3.532 0.236) 7.041 3.538 ( 3.971 -4.985 8.777) 10.846 5.234 ( -7.328 -1.372 24.711) 25.811 5.367 ( -5.922 6.146 3.258) 9.136 5.778 ( -26.795 -3.110 3.412) 27.190 5.869 ( 14.962 -16.661 -0.095) 22.393 6.973 ( 12.963 5.682 6.283) 15.485 7.875 ( -4.396 -17.748 -9.811) 20.750 8.049 ( 4.156 -0.333 15.505) 16.056 8.459 ( -7.607 14.196 28.567) 32.794 8.644 ( -6.091 -6.008 6.288) 10.617 8.977 ( -1.241 8.723 4.092) 9.714 9.098 ( 2.628 0.305 10.726) 11.047 9.423 ( 8.365 2.966 6.535) 11.022 9.464 ( 5.324 -4.315 5.966) 9.086 9.648 ( -2.907 -0.913 1.285) 3.307 9.734 ( -3.815 1.218 -0.308) 4.017 10.125 ( -6.504 -8.780 -1.778) 11.070 10.860 ( 9.795 7.506 5.482) 13.503 11.428 ( -15.593 -26.158 -12.228) 32.816 12.646 ( 9.633 19.717 4.184) 22.340 12.957 ( -18.896 1.268 -20.722) 28.072 14.272 ( 23.383 -2.255 -16.981) 28.986 ======================= Grid point 430 (136/200) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.050 ( -2.521 2.336 8.217) 8.906 3.098 ( -5.426 2.242 6.386) 8.675 3.684 ( 4.401 -6.467 7.352) 10.735 5.078 ( -4.582 4.221 17.060) 18.162 5.285 ( -5.437 -1.497 20.531) 21.292 5.393 ( -21.896 -5.021 3.248) 22.698 6.394 ( 17.993 -20.448 -5.594) 27.806 7.069 ( 6.039 3.720 9.377) 11.757 7.949 ( -0.223 -2.247 -5.234) 5.701 8.087 ( -15.115 -1.430 16.193) 22.198 8.208 ( 7.789 9.340 20.156) 23.541 8.536 ( -8.926 0.457 1.742) 9.106 8.944 ( 0.003 -4.527 7.882) 9.090 9.133 ( 1.694 -0.375 12.112) 12.236 9.476 ( 5.899 6.217 6.793) 10.936 9.578 ( -3.670 1.574 3.911) 5.590 9.673 ( 1.650 -7.202 5.266) 9.073 9.716 ( 6.030 -3.729 0.922) 7.150 10.203 ( 0.343 -11.758 -2.949) 12.127 10.781 ( -7.790 4.875 14.933) 17.534 11.596 ( 0.646 -19.940 -26.534) 33.198 12.499 ( -11.014 3.905 -11.484) 16.384 12.695 ( 0.418 16.772 1.496) 16.844 14.645 ( 18.772 -0.775 -17.342) 25.568 ======================= Grid point 431 (137/200) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( -3.232 3.071 9.088) 10.123 3.042 ( -1.333 -0.321 12.289) 12.365 3.817 ( 2.895 -5.435 9.068) 10.961 5.009 ( -3.573 -0.159 15.881) 16.279 5.102 ( -8.693 -1.759 17.298) 19.439 5.296 ( -4.572 -6.005 14.585) 16.423 6.846 ( 10.241 -10.708 -5.712) 15.879 7.140 ( 6.396 -2.225 14.171) 15.706 7.734 ( -11.343 15.678 33.046) 38.295 7.969 ( 1.835 -0.048 -10.605) 10.763 8.307 ( 1.428 -4.710 2.540) 5.538 8.419 ( -5.698 -3.432 1.392) 6.796 9.032 ( 0.820 -7.979 11.529) 14.045 9.177 ( 1.924 -1.998 15.291) 15.540 9.453 ( -3.551 -0.104 3.597) 5.056 9.509 ( 3.999 11.556 2.162) 12.418 9.716 ( -0.094 -4.355 6.464) 7.795 9.959 ( 9.172 -7.548 3.423) 12.362 10.372 ( 1.681 -12.640 -3.840) 13.317 10.571 ( -11.024 1.088 13.150) 17.194 11.847 ( 6.033 -12.200 -28.753) 31.812 12.251 ( -15.414 -1.982 -24.008) 28.599 12.528 ( 4.252 20.291 19.115) 28.199 14.896 ( 10.696 0.507 -18.147) 21.070 ======================= Grid point 432 (138/200) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( 0.000 2.223 10.885) 11.110 3.042 ( -0.000 -1.095 14.510) 14.551 3.897 ( -0.000 -3.807 11.496) 12.110 4.946 ( 0.000 0.098 8.727) 8.727 5.107 ( -0.000 -4.130 27.574) 27.881 5.320 ( -0.000 -4.716 15.144) 15.861 6.965 ( -0.000 -2.057 5.594) 5.960 7.303 ( -0.000 -4.905 14.212) 15.035 7.413 ( 0.000 16.817 32.303) 36.418 8.004 ( -0.000 -1.589 -21.724) 21.782 8.388 ( -0.000 -2.435 2.766) 3.685 8.416 ( -0.000 -9.728 6.851) 11.899 9.134 ( -0.000 -7.127 14.867) 16.487 9.223 ( -0.000 -1.329 18.045) 18.094 9.403 ( 0.000 11.697 -9.419) 15.018 9.415 ( -0.000 -0.272 4.417) 4.425 9.775 ( -0.000 -4.812 8.209) 9.515 10.110 ( -0.000 -2.432 4.909) 5.479 10.442 ( -0.000 -1.234 15.370) 15.420 10.557 ( -0.000 -11.572 -9.063) 14.699 12.048 ( -0.000 -5.440 -29.141) 29.645 12.103 ( -0.000 -4.397 -26.537) 26.899 12.347 ( 0.000 16.405 25.367) 30.210 14.976 ( 0.000 1.342 -18.971) 19.019 ======================= Grid point 435 (139/200) ======================= q-point: ( 0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.063 ( 0.401 -0.000 8.299) 8.309 3.134 ( 3.907 -0.000 7.128) 8.128 3.756 ( -4.898 0.000 5.442) 7.322 5.031 ( -0.548 0.000 17.989) 17.998 5.097 ( -2.214 0.000 17.938) 18.074 6.409 ( 26.761 -0.000 1.220) 26.789 6.472 ( -19.507 0.000 -5.907) 20.382 7.013 ( -19.189 0.000 -5.816) 20.051 7.180 ( -12.900 0.000 10.770) 16.805 7.697 ( 13.520 -0.000 30.719) 33.562 8.530 ( -1.046 0.000 6.382) 6.467 8.921 ( 0.590 -0.000 3.080) 3.136 8.967 ( 3.334 -0.000 16.792) 17.120 9.054 ( 3.594 -0.000 5.415) 6.499 9.310 ( 2.806 -0.000 9.092) 9.515 9.641 ( -1.978 0.000 4.520) 4.934 9.994 ( -6.791 0.000 1.803) 7.026 10.090 ( -9.200 0.000 2.916) 9.651 10.111 ( 11.707 -0.000 -11.907) 16.698 10.421 ( -8.140 0.000 -12.137) 14.614 11.429 ( -18.089 0.000 25.642) 31.380 13.047 ( 19.203 -0.000 -13.812) 23.655 13.087 ( 22.437 -0.000 -16.710) 27.976 13.731 ( -26.549 0.000 -21.048) 33.881 ======================= Grid point 436 (140/200) ======================= q-point: ( 0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.079 ( 0.653 -1.028 5.527) 5.659 3.200 ( 2.520 -2.123 4.238) 5.368 3.641 ( -6.326 3.244 5.180) 8.797 5.078 ( -0.170 -5.687 16.500) 17.454 5.101 ( 2.043 -5.251 12.714) 13.907 6.088 ( -22.454 4.017 -2.978) 23.004 6.478 ( -17.824 20.204 -1.420) 26.980 6.854 ( 20.828 2.289 3.810) 21.297 7.146 ( -13.872 -25.211 -1.366) 28.808 7.921 ( 10.612 -1.635 22.327) 24.775 8.502 ( -3.274 -2.407 7.631) 8.646 8.913 ( 0.757 5.844 14.749) 15.882 9.036 ( 5.506 0.766 16.378) 17.296 9.134 ( 4.406 -2.623 3.236) 6.063 9.356 ( 4.810 3.263 10.964) 12.409 9.615 ( -1.310 0.164 4.360) 4.556 9.719 ( -11.316 9.706 0.800) 14.930 9.971 ( -12.658 -9.545 -0.478) 15.861 10.140 ( -3.455 14.035 -9.131) 17.097 10.515 ( 11.197 -12.545 -16.058) 23.251 11.170 ( -17.435 -5.795 21.428) 28.227 13.097 ( -6.591 7.482 -17.280) 19.950 13.332 ( 1.914 9.621 -13.956) 17.058 13.652 ( 19.279 -11.560 -12.706) 25.822 ======================= Grid point 437 (141/200) ======================= q-point: (-0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( -0.200 -0.368 4.634) 4.653 3.255 ( -0.898 -2.465 -1.123) 2.854 3.507 ( -3.575 2.056 8.474) 9.424 5.092 ( -3.547 -5.218 19.368) 20.370 5.342 ( 8.600 -14.657 1.824) 17.091 5.668 ( -20.707 5.089 -0.274) 21.325 5.950 ( -16.680 15.319 3.719) 22.950 7.040 ( -0.951 -5.852 3.219) 6.746 7.341 ( 4.898 -18.172 -6.550) 19.928 8.062 ( 4.652 -0.174 15.710) 16.385 8.488 ( -3.495 -4.730 5.918) 8.344 8.799 ( -0.884 12.549 22.746) 25.993 9.099 ( 0.696 -0.670 11.548) 11.588 9.234 ( 1.844 4.235 3.814) 5.990 9.319 ( 0.852 3.529 5.735) 6.788 9.548 ( 2.289 2.324 9.643) 10.180 9.621 ( 0.039 -1.819 5.668) 5.953 9.836 ( -8.316 3.492 -3.108) 9.540 9.950 ( -6.746 -1.561 -1.185) 7.025 10.835 ( -5.650 -22.336 -16.905) 28.576 11.000 ( 1.865 3.155 12.622) 13.144 12.777 ( -22.407 -2.302 -23.362) 32.452 13.308 ( 13.974 22.391 -1.085) 26.416 14.129 ( 20.517 -10.186 -12.555) 26.122 ======================= Grid point 438 (142/200) ======================= q-point: (-0.44 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( -1.036 0.803 5.773) 5.920 3.174 ( -6.405 3.016 0.583) 7.103 3.538 ( 3.042 -5.428 7.530) 9.768 5.082 ( -5.172 -4.882 18.600) 19.913 5.304 ( -18.025 0.772 4.761) 18.659 5.387 ( -10.401 8.324 3.700) 13.826 5.924 ( 15.044 -17.164 -0.806) 22.838 7.049 ( -8.593 -10.731 0.279) 13.751 7.621 ( 6.352 -11.667 -6.282) 14.695 8.079 ( -1.458 1.441 10.637) 10.833 8.475 ( -5.095 -3.375 3.341) 6.965 8.633 ( 1.081 13.756 28.286) 31.473 8.980 ( -7.345 6.048 10.017) 13.815 9.173 ( 3.521 5.506 7.254) 9.764 9.469 ( 7.026 -6.821 2.970) 10.233 9.519 ( -4.082 -0.302 3.972) 5.704 9.664 ( 0.158 4.068 4.964) 6.420 9.724 ( 3.954 0.679 9.016) 9.869 9.952 ( -1.564 -9.185 0.842) 9.355 10.710 ( -21.722 -12.555 7.969) 26.325 11.275 ( 17.339 -5.085 -18.845) 26.108 12.453 ( -20.662 -3.608 -23.883) 31.785 13.234 ( 10.399 25.044 6.306) 27.840 14.548 ( 16.507 -7.968 -13.321) 22.659 ======================= Grid point 439 (143/200) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.039 ( -4.092 3.720 5.086) 7.513 3.049 ( -1.077 1.043 8.171) 8.307 3.668 ( 2.866 -7.028 6.453) 9.963 5.005 ( -9.850 -3.317 9.705) 14.220 5.072 ( -6.967 1.473 16.462) 17.936 5.203 ( -3.346 0.978 11.012) 11.550 6.458 ( 18.318 -20.634 -5.682) 28.171 7.020 ( -10.387 -12.117 -1.392) 16.020 7.796 ( 1.390 -5.543 -1.221) 5.843 8.001 ( -3.629 2.607 8.028) 9.188 8.396 ( -4.447 0.749 1.236) 4.676 8.499 ( 2.368 16.184 31.531) 35.521 8.874 ( -2.103 -2.979 8.265) 9.034 9.168 ( 1.304 2.067 8.559) 8.902 9.442 ( -3.730 -0.179 4.171) 5.599 9.609 ( -0.279 -3.196 2.971) 4.372 9.710 ( 6.386 -1.350 11.659) 13.362 9.806 ( 6.738 -0.611 4.368) 8.053 10.089 ( 3.327 -11.131 0.157) 11.619 10.491 ( -18.722 -8.468 8.492) 22.234 11.616 ( 15.327 -6.533 -23.655) 28.933 12.173 ( -18.236 -3.869 -24.344) 30.662 13.070 ( 5.318 25.132 12.679) 28.647 14.847 ( 9.539 -5.361 -14.790) 18.398 ======================= Grid point 440 (144/200) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.963 ( 0.000 3.290 7.771) 8.439 3.030 ( 0.000 0.420 10.988) 10.997 3.775 ( -0.000 -6.443 7.641) 9.995 4.936 ( -0.000 -1.661 6.806) 7.006 5.023 ( -0.000 -1.491 24.173) 24.218 5.200 ( -0.000 -4.046 13.303) 13.905 6.851 ( -0.000 -9.934 -4.803) 11.035 7.066 ( -0.000 -16.159 -0.783) 16.178 7.761 ( 0.000 8.470 21.343) 22.962 7.966 ( -0.000 -0.878 -2.422) 2.577 8.351 ( -0.000 -0.356 0.876) 0.945 8.361 ( 0.000 9.327 17.651) 19.964 8.936 ( -0.000 -8.286 9.400) 12.530 9.174 ( -0.000 -1.064 12.848) 12.892 9.410 ( -0.000 -0.136 4.753) 4.755 9.653 ( -0.000 -4.811 4.953) 6.905 9.690 ( 0.000 10.021 9.634) 13.901 9.972 ( -0.000 -8.941 0.685) 8.967 10.299 ( -0.000 -9.510 -1.256) 9.592 10.348 ( -0.000 -7.313 11.121) 13.309 11.910 ( -0.000 -5.256 -25.639) 26.172 11.973 ( -0.000 -5.918 -26.619) 27.269 12.828 ( 0.000 23.573 17.913) 29.607 14.975 ( -0.000 -2.348 -16.567) 16.733 ======================= Grid point 445 (145/200) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.089 ( 1.230 -0.000 3.028) 3.268 3.211 ( 0.293 -0.000 1.903) 1.926 3.546 ( -6.737 0.000 6.169) 9.135 5.083 ( 2.044 -0.000 7.141) 7.428 5.088 ( 2.654 -0.000 12.794) 13.066 5.717 ( -21.700 0.000 3.713) 22.015 6.353 ( -18.640 0.000 -5.255) 19.366 6.664 ( -16.644 0.000 -1.423) 16.705 7.233 ( 20.387 -0.000 1.466) 20.440 8.054 ( 5.520 -0.000 15.883) 16.815 8.435 ( -2.840 0.000 6.050) 6.683 9.001 ( 3.064 -0.000 17.007) 17.281 9.054 ( -4.080 0.000 13.667) 14.263 9.203 ( 5.908 -0.000 1.554) 6.109 9.465 ( 5.663 -0.000 13.911) 15.020 9.588 ( -2.075 0.000 4.730) 5.165 9.597 ( -7.982 0.000 7.982) 11.288 9.744 ( -6.440 0.000 1.350) 6.580 10.129 ( -8.830 0.000 -8.101) 11.983 10.459 ( -7.943 0.000 -11.070) 13.625 11.042 ( 6.353 -0.000 9.395) 11.341 12.741 ( -23.717 0.000 -24.340) 33.984 13.793 ( 18.516 -0.000 -6.489) 19.620 13.797 ( 16.707 -0.000 -7.038) 18.129 ======================= Grid point 446 (146/200) ======================= q-point: (-0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( 0.835 1.202 2.091) 2.552 3.197 ( -3.493 -0.894 -0.845) 3.703 3.461 ( -2.317 -1.033 8.182) 8.566 5.021 ( -6.513 0.630 6.064) 8.921 5.211 ( -2.594 -6.429 6.744) 9.671 5.508 ( 1.145 -2.306 5.036) 5.656 5.902 ( -14.322 16.746 -0.265) 22.037 6.573 ( -17.415 -23.451 -4.466) 29.550 7.531 ( 15.301 -0.059 -0.749) 15.320 8.094 ( -0.663 0.039 12.909) 12.926 8.407 ( -1.781 -1.455 2.882) 3.687 8.860 ( -9.419 5.543 6.004) 12.469 9.047 ( -0.160 0.551 17.678) 17.688 9.332 ( 7.668 -1.992 1.162) 8.008 9.445 ( 3.595 11.325 16.639) 20.446 9.517 ( -4.681 0.001 3.737) 5.990 9.656 ( 5.027 -4.770 16.188) 17.609 9.714 ( -1.894 -4.953 3.787) 6.516 9.908 ( -7.219 8.930 -2.108) 11.675 10.337 ( -17.688 -15.382 -2.754) 23.602 11.252 ( 16.299 0.451 -6.520) 17.561 12.385 ( -20.339 -1.699 -23.225) 30.918 13.803 ( 12.005 22.660 -0.970) 25.662 14.264 ( 14.089 -16.201 -7.623) 22.783 ======================= Grid point 447 (147/200) ======================= q-point: (-0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.085 ( -0.646 2.093 3.380) 4.027 3.117 ( -3.531 2.418 1.405) 4.504 3.507 ( 1.399 -6.140 6.326) 8.926 4.881 ( -10.656 -4.734 4.946) 12.666 5.171 ( 1.066 5.816 13.375) 14.624 5.385 ( -8.997 13.524 2.489) 16.433 5.964 ( 15.462 -19.432 -1.524) 24.880 6.560 ( -17.999 -24.111 -5.552) 30.596 7.740 ( 9.529 -0.135 -2.784) 9.928 8.042 ( -4.053 1.072 11.451) 12.194 8.392 ( -2.008 -0.458 -0.555) 2.133 8.691 ( -4.541 1.278 6.239) 7.822 8.995 ( -0.327 7.757 27.605) 28.676 9.343 ( 3.453 13.305 9.694) 16.820 9.443 ( -3.541 0.106 4.283) 5.559 9.522 ( 6.795 -4.407 4.399) 9.217 9.659 ( -3.162 2.469 -0.990) 4.132 9.777 ( 2.227 -5.633 10.480) 12.104 9.880 ( 3.893 -6.365 10.699) 13.044 10.218 ( -16.751 -13.286 0.510) 21.386 11.535 ( 16.791 -1.278 -15.021) 22.566 12.095 ( -17.841 -2.475 -21.504) 28.051 13.669 ( 5.892 25.268 4.414) 26.318 14.627 ( 8.142 -13.540 -9.523) 18.448 ======================= Grid point 448 (148/200) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.039 ( 0.000 2.910 4.220) 5.126 3.065 ( 0.000 2.428 5.587) 6.092 3.606 ( -0.000 -7.570 5.526) 9.373 4.843 ( -0.000 -5.427 5.720) 7.885 5.095 ( 0.000 8.328 16.637) 18.605 5.199 ( 0.000 4.144 7.962) 8.975 6.475 ( -0.000 -21.135 -4.252) 21.558 6.574 ( -0.000 -24.049 -7.303) 25.133 7.830 ( 0.000 0.511 -3.092) 3.134 7.976 ( 0.000 1.355 10.888) 10.972 8.362 ( 0.000 0.966 -1.852) 2.089 8.654 ( 0.000 3.603 18.936) 19.276 8.876 ( 0.000 8.745 25.392) 26.855 9.236 ( 0.000 8.188 4.742) 9.462 9.410 ( 0.000 0.165 4.907) 4.910 9.579 ( -0.000 -1.003 1.575) 1.867 9.711 ( -0.000 -7.512 6.782) 10.120 9.850 ( -0.000 -1.874 12.466) 12.606 10.098 ( -0.000 -7.565 1.579) 7.728 10.109 ( -0.000 -12.200 4.030) 12.849 11.826 ( -0.000 -1.976 -19.431) 19.532 11.852 ( -0.000 -4.129 -22.288) 22.667 13.416 ( 0.000 25.967 9.170) 27.539 14.836 ( -0.000 -9.888 -12.057) 15.593 ======================= Grid point 455 (149/200) ======================= q-point: ( 0.44 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( -3.431 0.000 0.736) 3.510 3.137 ( 1.204 -0.000 -0.587) 1.339 3.424 ( -0.730 0.000 7.758) 7.792 4.823 ( -11.208 0.000 3.968) 11.889 5.293 ( 9.117 -0.000 3.526) 9.776 5.581 ( 9.591 -0.000 3.694) 10.278 5.780 ( -14.912 0.000 0.374) 14.916 6.121 ( -14.918 0.000 -3.017) 15.220 7.743 ( 9.720 -0.000 -3.036) 10.183 8.054 ( -3.505 0.000 13.005) 13.469 8.386 ( -0.226 0.000 -0.753) 0.786 8.703 ( -8.835 0.000 -0.773) 8.869 9.087 ( 1.659 -0.000 20.533) 20.600 9.443 ( -3.464 0.000 4.281) 5.507 9.458 ( 9.105 -0.000 2.127) 9.350 9.641 ( 3.138 -0.000 14.201) 14.543 9.650 ( 4.215 -0.000 23.595) 23.969 9.670 ( 0.663 -0.000 1.422) 1.568 9.877 ( -5.511 0.000 3.118) 6.332 9.941 ( -15.578 0.000 -1.703) 15.671 11.524 ( 16.114 -0.000 -11.811) 19.979 12.065 ( -17.254 0.000 -20.090) 26.482 14.202 ( 6.526 -0.000 -5.602) 8.601 14.236 ( 7.155 -0.000 -0.523) 7.174 ======================= Grid point 457 (150/200) ======================= q-point: (-0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.090 ( 0.000 1.236 1.802) 2.185 3.131 ( 0.000 2.531 0.163) 2.536 3.449 ( -0.000 -4.748 6.574) 8.110 4.739 ( -0.000 -2.645 5.358) 5.975 5.359 ( 0.000 7.657 -0.274) 7.661 5.415 ( 0.000 18.312 7.914) 19.949 5.934 ( -0.000 -23.397 -0.403) 23.400 6.059 ( -0.000 -16.363 -3.749) 16.787 7.834 ( 0.000 0.034 -6.100) 6.100 8.007 ( 0.000 0.885 14.638) 14.665 8.382 ( 0.000 0.539 -2.704) 2.757 8.633 ( -0.000 -1.145 1.101) 1.589 9.074 ( 0.000 4.587 23.706) 24.146 9.413 ( 0.000 0.009 4.870) 4.870 9.549 ( 0.000 9.939 20.373) 22.668 9.601 ( 0.000 3.431 1.569) 3.772 9.626 ( 0.000 5.170 -1.018) 5.270 9.723 ( -0.000 -5.524 10.161) 11.566 9.828 ( -0.000 -10.748 -0.048) 10.748 9.919 ( -0.000 -9.365 11.021) 14.463 11.786 ( -0.000 -1.416 -18.315) 18.370 11.804 ( -0.000 -0.296 -15.332) 15.335 14.009 ( 0.000 23.912 0.860) 23.928 14.508 ( -0.000 -17.931 -5.850) 18.862 ======================= Grid point 498 (151/200) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.049 ( 0.000 0.000 6.378) 6.378 3.303 ( 0.000 0.000 9.311) 9.311 4.161 ( 0.000 0.000 8.270) 8.270 5.074 ( 0.000 0.000 4.237) 4.237 5.687 ( 0.000 0.000 23.813) 23.813 5.771 ( 0.000 0.000 22.910) 22.910 7.022 ( 0.000 0.000 -3.089) 3.089 7.448 ( 0.000 0.000 -29.504) 29.504 7.686 ( 0.000 0.000 13.089) 13.089 7.887 ( 0.000 0.000 38.315) 38.315 8.469 ( 0.000 0.000 2.076) 2.076 8.635 ( 0.000 0.000 -27.079) 27.079 8.902 ( 0.000 0.000 8.223) 8.223 9.493 ( 0.000 0.000 3.075) 3.075 9.513 ( 0.000 0.000 13.641) 13.641 9.752 ( 0.000 0.000 27.691) 27.691 10.079 ( 0.000 0.000 14.403) 14.403 10.207 ( 0.000 0.000 2.417) 2.417 10.435 ( 0.000 0.000 -14.425) 14.425 10.709 ( 0.000 0.000 10.228) 10.228 11.543 ( 0.000 0.000 -27.843) 27.843 11.555 ( 0.000 0.000 -31.611) 31.611 12.796 ( 0.000 0.000 33.147) 33.147 14.524 ( 0.000 0.000 -23.838) 23.838 ======================= Grid point 499 (152/200) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( 2.274 -0.355 5.782) 6.224 3.288 ( -0.837 1.107 8.924) 9.031 4.102 ( -3.888 3.646 7.275) 9.019 5.182 ( 12.361 0.168 4.823) 13.270 5.630 ( -4.542 4.487 22.963) 23.834 5.770 ( 1.224 -0.671 22.580) 22.623 6.910 ( -7.805 6.809 -5.539) 11.746 7.345 ( -4.451 8.361 -21.373) 23.378 7.755 ( 1.214 -4.727 9.339) 10.537 8.021 ( 6.343 -13.378 34.350) 37.405 8.443 ( -0.684 6.828 -2.194) 7.204 8.526 ( 3.261 9.163 -12.056) 15.490 9.077 ( 0.419 -19.028 0.845) 19.051 9.476 ( -1.585 3.618 11.980) 12.615 9.486 ( -0.813 1.099 7.022) 7.154 9.687 ( -2.984 3.703 20.653) 21.194 9.985 ( -6.773 1.400 10.468) 12.547 10.199 ( -0.875 7.106 3.489) 7.964 10.391 ( -2.488 4.085 -13.051) 13.900 10.706 ( -2.165 -5.863 7.396) 9.683 11.558 ( 9.265 10.582 -26.652) 30.136 11.729 ( 16.397 -3.341 -25.272) 30.310 12.767 ( -7.421 -5.619 31.558) 32.902 14.440 ( -11.131 -1.750 -23.455) 26.021 ======================= Grid point 500 (153/200) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.125 ( 3.222 -0.482 4.230) 5.339 3.260 ( -0.601 0.914 7.608) 7.687 3.968 ( -5.010 5.866 5.774) 9.636 5.389 ( 3.865 2.443 14.970) 15.653 5.542 ( 11.139 3.312 8.890) 14.632 5.820 ( 2.405 -1.775 22.210) 22.411 6.612 ( -13.191 13.597 -9.764) 21.313 7.160 ( -7.190 5.534 -8.932) 12.732 7.795 ( -2.638 -4.003 -0.697) 4.845 8.305 ( -3.587 -13.975 21.883) 26.211 8.384 ( 15.136 5.811 3.760) 16.644 8.571 ( 7.699 1.158 1.099) 7.863 9.263 ( -2.643 -13.091 2.706) 13.627 9.365 ( -4.222 4.364 12.986) 14.335 9.439 ( -2.746 1.741 11.112) 11.578 9.646 ( 2.724 2.275 5.565) 6.600 9.844 ( -7.248 2.921 4.987) 9.270 10.025 ( -4.013 12.020 4.507) 13.449 10.275 ( -3.085 6.426 -11.449) 13.486 10.734 ( -9.221 -11.139 0.375) 14.465 11.640 ( 21.329 17.911 -16.239) 32.240 12.098 ( 23.160 -1.538 -20.599) 31.033 12.682 ( -13.943 -10.379 27.040) 32.145 14.204 ( -20.241 -3.192 -22.410) 30.366 ======================= Grid point 501 (154/200) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.174 ( 1.726 -0.320 2.392) 2.967 3.262 ( 1.339 -0.440 5.100) 5.291 3.815 ( -4.534 5.919 5.684) 9.375 5.326 ( -1.562 0.905 11.672) 11.810 5.843 ( 6.120 -5.902 18.872) 20.699 5.899 ( 18.216 5.727 3.962) 19.502 6.206 ( -11.865 16.227 -4.405) 20.579 6.965 ( -12.882 0.470 -1.341) 12.960 7.765 ( -4.250 -1.666 -13.683) 14.424 8.327 ( 1.375 -1.936 12.593) 12.815 8.645 ( 9.065 -4.109 8.803) 13.287 8.770 ( 12.609 -6.100 14.961) 20.494 9.185 ( -3.469 8.061 9.408) 12.866 9.362 ( -5.903 -5.686 9.308) 12.403 9.373 ( -2.537 -2.263 8.780) 9.416 9.678 ( -4.741 6.240 -1.246) 7.935 9.693 ( 3.362 1.935 0.503) 3.912 9.843 ( -3.559 6.869 5.871) 9.712 10.177 ( 0.684 4.832 -9.115) 10.339 10.630 ( -15.561 -7.325 -8.029) 18.981 11.839 ( 27.327 18.582 -3.255) 33.206 12.468 ( 5.869 -4.011 -1.577) 7.281 12.592 ( 0.982 -8.511 3.272) 9.171 13.858 ( -25.802 -4.014 -20.925) 33.462 ======================= Grid point 502 (155/200) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.193 ( 0.379 -0.236 1.069) 1.158 3.298 ( 1.272 -0.650 2.079) 2.522 3.701 ( -2.136 2.822 7.267) 8.083 5.355 ( 2.123 -3.159 0.786) 3.886 5.770 ( -6.306 7.701 -1.747) 10.106 5.956 ( -1.863 0.084 27.051) 27.116 6.281 ( 22.937 3.553 0.873) 23.227 6.709 ( -17.733 -1.813 1.446) 17.884 7.721 ( -1.764 -0.238 -19.438) 19.520 8.382 ( 1.414 -1.654 18.704) 18.830 8.804 ( 4.410 -3.798 4.719) 7.493 8.990 ( 2.740 2.610 10.761) 11.407 9.097 ( 5.651 -1.542 11.609) 13.003 9.264 ( -6.498 2.690 13.302) 15.047 9.388 ( -2.067 -4.409 5.832) 7.598 9.535 ( -2.468 4.687 3.811) 6.526 9.713 ( 0.594 0.895 1.688) 2.000 9.753 ( -1.203 2.193 -1.229) 2.786 10.225 ( 9.830 2.062 -9.255) 13.658 10.423 ( -15.412 -3.121 -10.951) 19.162 12.079 ( 24.235 15.654 6.064) 29.481 12.342 ( -20.631 -13.673 13.589) 28.235 12.949 ( 23.606 2.093 -19.631) 30.773 13.469 ( -24.302 -3.489 -18.889) 30.977 ======================= Grid point 508 (156/200) ======================= q-point: ( 0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.120 ( 3.557 -0.000 4.910) 6.063 3.271 ( -1.772 0.000 8.186) 8.376 4.045 ( -5.310 0.000 6.356) 8.282 5.428 ( 13.913 -0.000 9.991) 17.129 5.584 ( -5.441 0.000 22.544) 23.192 5.772 ( 4.373 -0.000 15.018) 15.641 6.796 ( -10.999 0.000 -6.940) 13.006 7.262 ( -10.788 0.000 -23.312) 25.687 7.733 ( -4.324 0.000 11.729) 12.501 8.032 ( 6.897 -0.000 33.481) 34.185 8.506 ( 3.709 -0.000 4.926) 6.166 8.662 ( 5.754 -0.000 -16.700) 17.663 9.013 ( 5.943 -0.000 4.693) 7.573 9.417 ( -6.654 0.000 12.958) 14.567 9.491 ( -1.012 0.000 12.567) 12.608 9.680 ( 1.269 -0.000 7.426) 7.534 9.871 ( -6.496 0.000 6.511) 9.198 10.233 ( -3.120 0.000 4.160) 5.200 10.362 ( -4.228 0.000 -14.021) 14.644 10.538 ( -10.198 0.000 0.220) 10.201 11.928 ( 21.310 -0.000 -21.524) 30.289 12.010 ( 23.133 -0.000 -16.588) 28.466 12.553 ( -14.079 0.000 30.303) 33.414 14.161 ( -20.631 0.000 -23.056) 30.939 ======================= Grid point 509 (157/200) ======================= q-point: ( 0.22 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.176 ( 2.796 0.397 3.653) 4.617 3.243 ( -1.369 -0.838 6.605) 6.798 3.934 ( -5.540 3.223 5.196) 8.251 5.411 ( -4.338 6.313 18.669) 20.180 5.624 ( -1.728 -10.652 20.756) 23.394 5.995 ( 21.541 2.232 2.172) 21.765 6.535 ( -13.208 9.448 -8.283) 18.230 7.030 ( -13.949 3.232 -12.988) 19.332 7.612 ( -12.992 -7.055 0.022) 14.784 8.178 ( 3.663 -6.085 27.046) 27.963 8.600 ( 7.494 -0.668 5.896) 9.559 8.796 ( 14.039 3.922 -0.293) 14.580 9.156 ( 4.217 -5.618 5.173) 8.724 9.286 ( -7.064 0.989 13.898) 15.621 9.460 ( -0.064 3.172 10.991) 11.440 9.738 ( 5.853 1.770 -2.664) 6.670 9.774 ( -4.140 1.520 3.726) 5.774 10.066 ( -7.225 10.427 2.731) 12.976 10.265 ( -4.609 2.329 -12.884) 13.880 10.411 ( -13.670 -9.959 -3.246) 17.221 12.222 ( 21.545 11.884 -8.852) 26.149 12.301 ( -13.227 -4.066 20.893) 25.060 12.486 ( 24.496 -5.178 -12.718) 28.083 13.776 ( -26.462 -2.245 -22.114) 34.559 ======================= Grid point 510 (158/200) ======================= q-point: ( 0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( -0.157 0.136 2.973) 2.980 3.263 ( 0.762 -2.026 3.409) 4.038 3.796 ( -5.053 4.369 5.366) 8.569 5.316 ( -0.948 0.773 11.389) 11.454 5.695 ( -5.807 -12.474 20.216) 24.454 6.109 ( -10.394 13.464 -6.306) 18.140 6.401 ( 18.183 3.662 0.939) 18.572 6.736 ( -14.553 3.723 -1.608) 15.107 7.511 ( -13.963 -14.591 -11.611) 23.295 8.288 ( 2.231 -4.934 20.026) 20.746 8.718 ( 3.157 -2.327 7.845) 8.770 9.009 ( 11.968 1.609 9.925) 15.631 9.179 ( -0.567 2.067 9.140) 9.388 9.263 ( 2.181 -2.144 9.149) 9.646 9.426 ( 2.733 6.428 9.963) 12.167 9.678 ( -3.346 5.433 0.442) 6.396 9.761 ( -1.196 4.264 -1.153) 4.576 9.859 ( -2.676 6.593 -1.232) 7.221 10.224 ( 2.151 -2.003 -11.108) 11.491 10.282 ( -14.240 -8.317 -6.238) 17.632 12.025 ( -22.741 -8.924 20.331) 31.783 12.503 ( 25.633 15.700 -2.725) 30.182 12.947 ( 21.192 -2.706 -16.647) 27.084 13.376 ( -22.204 -3.744 -19.708) 29.923 ======================= Grid point 511 (159/200) ======================= q-point: ( 0.44 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.186 ( -0.457 -0.730 1.402) 1.645 3.286 ( -0.979 -1.495 1.346) 2.237 3.689 ( -2.543 1.697 6.889) 7.537 5.364 ( 3.199 -3.224 0.993) 4.649 5.701 ( -7.676 -5.567 3.437) 10.086 5.814 ( -8.972 0.196 16.937) 19.168 6.293 ( -20.582 2.450 3.631) 21.043 6.806 ( 20.893 5.318 1.385) 21.604 7.490 ( -11.283 -17.909 -17.738) 27.616 8.360 ( 0.017 -2.895 16.710) 16.959 8.756 ( -2.991 -4.994 6.986) 9.094 9.011 ( -3.001 5.154 6.981) 9.181 9.262 ( 7.738 1.623 12.809) 15.052 9.306 ( 1.775 5.406 11.082) 12.457 9.380 ( 2.123 3.999 7.052) 8.380 9.593 ( 4.226 5.589 6.442) 9.519 9.707 ( -1.519 0.141 2.434) 2.873 9.759 ( -2.305 3.424 -4.376) 6.015 10.133 ( -11.645 -5.538 -5.486) 14.013 10.405 ( 11.861 -4.908 -15.398) 20.047 11.744 ( -25.107 -11.074 15.245) 31.391 12.680 ( 9.365 10.557 -1.143) 14.158 12.907 ( -11.440 2.173 -14.882) 18.896 13.508 ( 24.601 -0.742 -15.912) 29.308 ======================= Grid point 512 (160/200) ======================= q-point: (-0.44 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( -1.062 -0.088 1.024) 1.477 3.260 ( -3.134 -0.572 2.604) 4.115 3.695 ( 1.630 -3.748 6.489) 7.669 5.366 ( -1.665 3.668 0.804) 4.108 5.729 ( -14.848 -9.078 15.866) 23.550 5.756 ( -0.591 -13.244 -2.735) 13.536 5.969 ( -7.846 -0.760 13.186) 15.362 7.028 ( 11.533 4.573 -0.335) 12.411 7.565 ( -4.486 -17.487 -19.049) 26.244 8.331 ( -4.953 0.656 12.123) 13.113 8.709 ( -8.732 -0.738 3.425) 9.409 8.943 ( -0.003 -2.338 10.969) 11.216 9.153 ( 0.133 16.603 18.140) 24.592 9.343 ( 3.077 -0.671 12.662) 13.048 9.486 ( 5.425 -6.227 2.486) 8.624 9.606 ( 3.541 5.161 4.468) 7.690 9.682 ( -0.794 0.991 1.995) 2.364 9.764 ( 4.234 0.255 3.410) 5.442 10.053 ( -4.731 -5.213 -4.555) 8.385 10.688 ( 14.838 -4.176 -18.573) 24.136 11.450 ( -26.423 -12.023 10.474) 30.862 12.436 ( -23.891 -3.683 -19.018) 30.758 12.925 ( 17.825 16.871 11.153) 26.959 13.924 ( 24.266 0.835 -18.064) 30.263 ======================= Grid point 513 (161/200) ======================= q-point: (-0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.143 ( -2.775 0.971 2.170) 3.654 3.230 ( -1.449 -1.637 6.070) 6.452 3.809 ( 3.707 -7.021 4.989) 9.378 5.347 ( 1.949 -0.667 12.259) 12.431 5.447 ( -21.440 -4.681 2.133) 22.048 5.768 ( -6.781 -6.196 24.527) 26.190 6.239 ( 14.711 -16.803 -7.861) 23.676 7.098 ( 0.622 -1.040 -5.728) 5.855 7.722 ( 1.204 -12.007 -14.466) 18.839 8.208 ( -8.027 0.595 6.261) 10.198 8.548 ( -8.625 0.328 2.032) 8.867 8.865 ( 1.153 22.626 30.697) 38.152 9.107 ( 1.189 -9.940 8.018) 12.826 9.402 ( 2.705 -1.834 12.983) 13.388 9.575 ( -1.133 0.383 3.998) 4.173 9.667 ( 5.127 6.471 3.369) 8.917 9.711 ( 8.355 -6.494 0.364) 10.588 9.819 ( 1.900 -1.331 7.551) 7.899 10.103 ( 1.098 -7.743 -6.084) 9.908 10.960 ( 15.095 5.176 -10.831) 19.286 11.165 ( -26.297 -19.028 -2.667) 32.568 12.083 ( -22.215 -2.089 -20.721) 30.450 12.998 ( 13.609 15.838 19.534) 28.594 14.273 ( 19.065 1.835 -20.156) 27.805 ======================= Grid point 514 (162/200) ======================= q-point: (-0.22 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.086 ( -2.186 0.907 4.477) 5.064 3.244 ( -0.067 -2.419 7.966) 8.326 3.959 ( 3.309 -7.768 5.241) 9.938 5.169 ( -12.794 -1.205 3.961) 13.448 5.483 ( 5.993 -6.830 19.732) 21.724 5.721 ( -6.946 -5.492 24.883) 26.411 6.671 ( 12.992 -13.324 -11.004) 21.619 7.121 ( -3.183 -8.970 -12.551) 15.751 7.853 ( 3.328 -2.671 -4.324) 6.075 8.072 ( -10.021 -4.233 0.328) 10.883 8.446 ( -4.554 -2.033 1.654) 5.254 8.600 ( 1.812 24.390 29.685) 38.462 9.266 ( 1.219 -11.605 11.862) 16.639 9.472 ( 2.470 -1.033 8.464) 8.877 9.561 ( 1.464 4.482 8.503) 9.723 9.589 ( 1.321 10.744 6.067) 12.409 9.881 ( 0.631 -6.937 10.209) 12.359 9.978 ( 8.215 -10.209 -2.069) 13.266 10.248 ( 5.142 -7.463 -6.268) 11.019 10.822 ( -15.396 -0.542 11.138) 19.010 11.276 ( 7.349 -9.707 -28.395) 30.895 11.754 ( -18.665 -0.372 -23.053) 29.664 13.001 ( 7.232 13.448 25.787) 29.968 14.499 ( 10.646 2.464 -21.951) 24.521 ======================= Grid point 515 (163/200) ======================= q-point: (-0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.058 ( 0.000 0.702 5.712) 5.755 3.273 ( -0.000 -2.302 8.952) 9.244 4.076 ( -0.000 -6.558 6.676) 9.359 5.068 ( -0.000 -0.585 4.018) 4.060 5.649 ( -0.000 -3.847 26.016) 26.299 5.692 ( -0.000 -6.338 21.590) 22.501 6.897 ( -0.000 -7.410 -5.577) 9.274 7.241 ( -0.000 -13.578 -20.467) 24.561 7.840 ( 0.000 8.748 5.323) 10.240 8.036 ( -0.000 -2.529 12.309) 12.566 8.414 ( 0.000 6.701 8.780) 11.044 8.437 ( -0.000 -2.417 2.049) 3.168 9.332 ( 0.000 18.568 0.723) 18.582 9.416 ( -0.000 -4.272 12.663) 13.364 9.492 ( -0.000 -0.023 3.213) 3.213 9.648 ( -0.000 -7.058 22.247) 23.339 9.976 ( -0.000 -7.639 11.922) 14.159 10.160 ( -0.000 -6.657 -2.141) 6.993 10.379 ( -0.000 -2.770 -5.569) 6.220 10.690 ( -0.000 -3.471 9.383) 10.004 11.497 ( -0.000 -2.654 -25.661) 25.798 11.512 ( -0.000 -3.025 -30.315) 30.465 12.923 ( 0.000 10.136 29.952) 31.621 14.559 ( 0.000 2.544 -23.116) 23.255 ======================= Grid point 518 (164/200) ======================= q-point: ( 0.22 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.201 ( -2.139 0.000 5.522) 5.922 3.224 ( 1.940 -0.000 2.439) 3.116 3.857 ( -5.892 0.000 4.422) 7.367 5.390 ( -5.454 0.000 17.446) 18.279 5.460 ( -4.692 0.000 18.721) 19.300 6.351 ( -15.815 0.000 -6.135) 16.964 6.394 ( 20.629 -0.000 -3.422) 20.911 6.825 ( -10.893 0.000 -11.079) 15.537 7.260 ( -20.652 0.000 -1.391) 20.699 8.221 ( 3.980 -0.000 21.342) 21.710 8.693 ( 3.399 -0.000 9.405) 10.001 9.040 ( 12.206 -0.000 7.882) 14.530 9.163 ( -2.090 0.000 7.217) 7.514 9.272 ( 5.952 -0.000 11.098) 12.593 9.501 ( 3.380 -0.000 9.703) 10.275 9.728 ( -2.368 0.000 4.201) 4.822 9.878 ( 6.922 -0.000 -10.968) 12.970 10.018 ( -8.389 0.000 0.651) 8.414 10.086 ( -13.287 0.000 -2.853) 13.590 10.181 ( -6.130 0.000 -11.869) 13.358 11.916 ( -21.908 0.000 23.419) 32.069 12.789 ( 28.006 -0.000 -12.774) 30.781 12.823 ( 18.039 -0.000 -8.979) 20.150 13.325 ( -22.116 0.000 -19.702) 29.619 ======================= Grid point 519 (165/200) ======================= q-point: ( 0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.171 ( -1.390 -0.369 3.476) 3.761 3.248 ( -0.223 -1.216 1.291) 1.788 3.745 ( -5.618 1.977 4.818) 7.661 5.303 ( -1.574 -0.506 10.635) 10.762 5.444 ( -6.726 -8.877 16.270) 19.717 6.023 ( -15.704 7.852 -2.813) 17.782 6.388 ( -16.293 6.374 -6.665) 18.722 6.904 ( 20.839 2.351 1.451) 21.021 7.028 ( -19.135 -17.282 -9.082) 27.336 8.289 ( 2.469 -2.100 14.451) 14.810 8.688 ( -4.231 -1.122 10.538) 11.411 9.124 ( 1.078 3.881 4.764) 6.238 9.221 ( 4.526 -3.396 8.098) 9.879 9.342 ( 1.613 1.994 11.251) 11.540 9.586 ( 8.028 3.588 10.683) 13.837 9.693 ( -0.264 1.225 3.455) 3.676 9.743 ( -5.582 7.048 2.325) 9.286 9.909 ( -5.103 3.820 -6.452) 9.070 10.001 ( -5.143 -1.033 -3.172) 6.131 10.211 ( 4.179 -10.700 -13.888) 18.023 11.581 ( -20.343 -3.166 19.759) 28.536 12.721 ( -23.100 -1.344 -19.169) 30.048 13.149 ( 22.332 12.242 -5.911) 26.145 13.419 ( 22.191 -6.604 -10.372) 25.370 ======================= Grid point 520 (166/200) ======================= q-point: (-0.56 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.163 ( -0.830 -1.168 1.841) 2.333 3.239 ( -2.613 -1.032 0.231) 2.819 3.653 ( -3.005 -0.013 5.946) 6.662 5.371 ( 2.455 -8.175 1.281) 8.631 5.403 ( -11.103 -8.202 8.570) 16.248 5.712 ( -10.464 5.439 7.964) 14.230 6.013 ( -15.979 5.433 3.009) 17.144 6.959 ( -15.837 -18.934 -11.719) 27.325 7.230 ( 17.340 -1.105 -2.410) 17.542 8.332 ( -0.508 -1.014 10.874) 10.933 8.618 ( -6.550 -3.591 7.014) 10.247 8.999 ( -8.309 5.486 -0.472) 9.968 9.312 ( 1.254 -2.410 10.093) 10.452 9.344 ( 2.414 -3.650 6.499) 7.835 9.577 ( 6.382 14.955 18.489) 24.621 9.650 ( -3.745 0.297 2.935) 4.768 9.754 ( -3.666 4.997 -4.777) 7.825 9.773 ( 4.239 -1.465 3.537) 5.712 9.985 ( 3.099 -0.168 6.316) 7.037 10.434 ( 2.585 -14.825 -19.618) 24.724 11.319 ( -13.753 -1.059 15.968) 21.101 12.350 ( -23.224 -3.113 -19.473) 30.467 13.324 ( 18.957 16.485 2.667) 25.263 13.873 ( 22.076 -5.466 -13.106) 26.249 ======================= Grid point 521 (167/200) ======================= q-point: (-0.44 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( -1.427 -0.089 0.655) 1.573 3.193 ( -3.277 -1.115 2.979) 4.567 3.665 ( 0.757 -4.844 5.022) 7.019 5.268 ( -15.475 -7.959 2.642) 17.602 5.418 ( -3.908 2.990 1.444) 5.128 5.590 ( -6.642 -6.763 18.572) 20.851 5.913 ( 6.235 -8.911 0.953) 10.917 6.916 ( -15.380 -17.513 -12.789) 26.586 7.495 ( 11.667 -2.820 -5.142) 13.059 8.277 ( -4.180 3.095 8.558) 10.015 8.532 ( -9.112 -2.128 2.367) 9.652 8.870 ( -3.654 -4.806 2.921) 6.707 9.348 ( 0.278 -2.622 12.006) 12.292 9.437 ( 5.365 15.533 21.593) 27.135 9.516 ( 6.500 0.174 5.800) 8.714 9.580 ( -3.680 -0.184 2.702) 4.569 9.673 ( -1.487 -1.195 0.709) 2.035 9.872 ( 2.041 -6.113 -0.894) 6.506 10.057 ( 7.852 6.632 10.252) 14.517 10.589 ( -11.122 -21.305 -18.238) 30.170 11.177 ( 1.446 5.606 7.397) 9.393 12.028 ( -19.494 -2.254 -18.660) 27.079 13.394 ( 13.323 17.396 9.885) 24.038 14.258 ( 17.290 -3.611 -15.823) 23.714 ======================= Grid point 522 (168/200) ======================= q-point: (-0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.110 ( -2.320 0.994 2.291) 3.409 3.186 ( -0.720 -2.257 5.571) 6.053 3.769 ( 1.979 -7.959 3.678) 8.988 5.100 ( -12.361 -5.223 2.991) 13.748 5.375 ( 2.530 -1.176 12.527) 12.834 5.554 ( -7.369 -7.138 22.195) 24.451 6.295 ( 15.979 -17.581 -9.864) 25.724 6.856 ( -15.228 -16.089 -13.564) 25.976 7.684 ( 5.804 -4.662 -7.266) 10.403 8.151 ( -4.193 5.439 7.064) 9.852 8.408 ( -6.252 -1.140 0.762) 6.400 8.955 ( 0.104 -11.410 8.611) 14.295 9.232 ( 2.537 25.399 28.068) 37.939 9.395 ( 0.892 -4.155 14.012) 14.642 9.517 ( -2.554 -0.311 3.544) 4.379 9.686 ( 1.170 -6.715 4.619) 8.234 9.759 ( 6.743 -7.920 -0.528) 10.415 9.988 ( 5.192 2.418 4.181) 7.091 10.074 ( 4.773 1.799 1.360) 5.279 10.545 ( -20.564 -18.733 -5.340) 28.325 11.253 ( 13.209 4.297 -10.609) 17.478 11.743 ( -16.749 -0.244 -18.233) 24.759 13.362 ( 6.939 16.827 16.663) 24.677 14.517 ( 9.744 -1.584 -18.445) 20.920 ======================= Grid point 523 (169/200) ======================= q-point: (-0.22 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( 0.000 0.953 4.011) 4.123 3.211 ( -0.000 -2.722 7.204) 7.701 3.890 ( -0.000 -8.747 4.025) 9.629 5.035 ( -0.000 -2.657 3.473) 4.372 5.512 ( -0.000 -7.834 17.490) 19.164 5.517 ( -0.000 -6.086 25.137) 25.863 6.696 ( -0.000 -11.513 -10.553) 15.618 6.856 ( -0.000 -19.153 -17.079) 25.662 7.804 ( -0.000 -8.245 -8.029) 11.508 8.033 ( 0.000 7.403 6.308) 9.726 8.376 ( -0.000 -2.297 1.332) 2.655 8.920 ( 0.000 25.782 31.677) 40.843 9.129 ( -0.000 -12.021 9.760) 15.484 9.477 ( -0.000 -6.885 16.504) 17.883 9.493 ( 0.000 0.083 3.465) 3.466 9.779 ( -0.000 -8.226 7.707) 11.272 9.859 ( 0.000 18.481 4.777) 19.088 9.939 ( -0.000 -9.274 -3.602) 9.949 10.266 ( -0.000 -8.178 -1.736) 8.360 10.479 ( -0.000 -14.256 1.321) 14.317 11.458 ( -0.000 -0.840 -24.020) 24.035 11.483 ( 0.000 1.719 -16.260) 16.351 13.231 ( 0.000 15.449 22.223) 27.065 14.606 ( 0.000 0.606 -20.602) 20.611 ======================= Grid point 528 (170/200) ======================= q-point: ( 0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.146 ( -1.033 0.000 2.484) 2.690 3.224 ( -1.909 0.000 -0.083) 1.911 3.662 ( -5.332 0.000 4.988) 7.301 5.216 ( -6.819 0.000 5.803) 8.954 5.334 ( -1.973 0.000 11.809) 11.973 5.793 ( -14.286 0.000 4.148) 14.876 6.202 ( -14.739 0.000 -9.242) 17.397 6.572 ( -18.833 0.000 -6.765) 20.012 7.251 ( 18.147 -0.000 0.568) 18.156 8.310 ( 1.171 -0.000 9.774) 9.844 8.582 ( -6.766 0.000 8.360) 10.754 9.094 ( -11.040 0.000 -5.804) 12.473 9.255 ( 2.393 -0.000 9.779) 10.067 9.306 ( -1.143 0.000 8.196) 8.276 9.652 ( -3.537 0.000 3.530) 4.998 9.717 ( 2.678 -0.000 2.730) 3.825 9.791 ( -3.163 0.000 2.574) 4.078 9.850 ( 8.271 -0.000 13.816) 16.102 10.052 ( 2.333 -0.000 5.229) 5.725 10.145 ( -1.062 0.000 -16.969) 17.002 11.316 ( -8.855 0.000 15.183) 17.577 12.310 ( -22.452 0.000 -19.167) 29.520 13.657 ( 22.460 -0.000 -6.721) 23.444 13.673 ( 17.775 -0.000 -5.310) 18.552 ======================= Grid point 529 (171/200) ======================= q-point: (-0.56 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.139 ( -0.458 -0.794 1.262) 1.559 3.182 ( -3.206 -0.170 -0.418) 3.238 3.594 ( -2.898 -1.298 5.109) 6.016 5.090 ( -12.699 -5.194 1.577) 13.811 5.348 ( 0.510 -4.383 5.654) 7.172 5.624 ( -4.100 3.237 7.363) 9.028 5.894 ( -9.783 7.808 -0.412) 12.523 6.427 ( -16.608 -19.530 -9.375) 27.297 7.501 ( 12.654 0.950 -1.666) 12.799 8.312 ( -1.505 0.045 8.487) 8.619 8.479 ( -6.343 -1.184 4.174) 7.685 8.848 ( -12.842 1.081 -3.648) 13.394 9.295 ( 0.961 -1.395 8.875) 9.035 9.366 ( 5.053 -3.535 2.852) 6.795 9.579 ( -4.349 0.011 2.672) 5.104 9.707 ( -4.029 3.305 -1.370) 5.389 9.745 ( 0.135 -2.582 0.027) 2.586 9.904 ( 6.443 13.334 17.020) 22.561 10.093 ( -0.862 -5.551 3.528) 6.633 10.205 ( -0.219 -8.480 4.060) 9.404 11.268 ( 3.387 1.973 6.024) 7.187 11.989 ( -17.115 -0.895 -16.687) 23.921 13.784 ( 13.569 15.271 -0.403) 20.432 14.096 ( 15.561 -10.103 -9.094) 20.662 ======================= Grid point 530 (172/200) ======================= q-point: (-0.44 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.128 ( -2.442 0.522 0.349) 2.521 3.145 ( -0.462 -1.192 2.166) 2.516 3.609 ( -0.140 -5.264 3.821) 6.506 4.952 ( -10.148 -6.075 2.472) 12.083 5.380 ( -2.362 -2.038 4.338) 5.343 5.497 ( -2.989 5.735 11.846) 13.497 5.926 ( 9.597 -12.160 -2.010) 15.621 6.395 ( -16.482 -20.884 -10.403) 28.566 7.654 ( 6.904 0.525 -4.487) 8.251 8.252 ( -3.194 2.753 8.584) 9.564 8.390 ( -5.385 -0.472 0.294) 5.413 8.735 ( -3.853 -6.037 0.666) 7.193 9.319 ( 0.015 -1.572 8.640) 8.782 9.514 ( 0.157 -0.874 2.455) 2.611 9.539 ( 4.106 -4.763 1.896) 6.568 9.632 ( -1.633 -0.951 -0.682) 2.009 9.789 ( 2.234 8.010 13.614) 15.952 9.822 ( 3.378 3.813 10.010) 11.232 10.090 ( -12.217 -14.061 -4.705) 19.212 10.284 ( 3.643 2.400 14.275) 14.927 11.350 ( 9.346 3.124 -4.153) 10.694 11.744 ( -13.452 0.185 -13.673) 19.182 13.764 ( 6.855 16.971 5.682) 19.165 14.406 ( 8.682 -7.958 -12.520) 17.189 ======================= Grid point 531 (173/200) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.099 ( 0.000 0.743 1.972) 2.107 3.157 ( -0.000 -1.686 3.750) 4.111 3.691 ( -0.000 -7.786 2.947) 8.325 4.931 ( -0.000 -5.825 3.290) 6.690 5.379 ( -0.000 -2.982 9.615) 10.067 5.438 ( 0.000 0.469 17.722) 17.728 6.333 ( -0.000 -18.425 -9.815) 20.876 6.377 ( -0.000 -20.411 -11.326) 23.343 7.715 ( -0.000 -0.699 -6.434) 6.472 8.176 ( 0.000 4.629 8.406) 9.597 8.344 ( -0.000 -0.428 -0.250) 0.496 8.815 ( -0.000 -10.955 4.284) 11.763 9.346 ( -0.000 -3.343 9.827) 10.379 9.497 ( 0.000 0.241 3.599) 3.607 9.555 ( 0.000 22.351 29.223) 36.791 9.625 ( -0.000 -4.375 3.337) 5.503 9.739 ( -0.000 -5.411 0.498) 5.434 9.982 ( -0.000 -11.021 -2.509) 11.303 10.098 ( -0.000 -16.536 -4.872) 17.239 10.243 ( 0.000 9.281 11.385) 14.689 11.471 ( 0.000 1.323 -15.494) 15.550 11.546 ( 0.000 2.929 -8.819) 9.293 13.620 ( 0.000 17.292 11.745) 20.903 14.558 ( -0.000 -5.093 -15.809) 16.609 ======================= Grid point 538 (174/200) ======================= q-point: ( 0.44 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.132 ( -0.008 0.000 -0.016) 0.018 3.134 ( -2.331 0.000 -0.091) 2.332 3.544 ( -1.595 0.000 4.401) 4.681 4.872 ( -9.032 0.000 1.335) 9.130 5.342 ( 1.774 -0.000 1.481) 2.310 5.652 ( 3.564 -0.000 3.340) 4.885 5.793 ( -8.248 0.000 0.956) 8.303 6.052 ( -11.701 0.000 -3.602) 12.242 7.665 ( 6.448 -0.000 -3.795) 7.482 8.279 ( -2.505 0.000 8.611) 8.968 8.387 ( -3.953 0.000 0.739) 4.022 8.671 ( -7.304 0.000 -1.997) 7.572 9.312 ( 1.256 -0.000 5.870) 6.002 9.438 ( 6.717 -0.000 -1.005) 6.791 9.520 ( -2.522 0.000 3.337) 4.183 9.667 ( -2.962 0.000 -1.788) 3.460 9.733 ( -0.072 0.000 0.041) 0.083 9.822 ( -12.366 0.000 -8.940) 15.259 10.134 ( 5.232 -0.000 21.167) 21.804 10.258 ( 4.797 -0.000 25.399) 25.849 11.387 ( 8.207 -0.000 -2.792) 8.668 11.747 ( -12.007 0.000 -11.979) 16.961 14.089 ( 6.524 -0.000 -5.434) 8.490 14.190 ( 8.550 -0.000 -3.523) 9.247 ======================= Grid point 540 (175/200) ======================= q-point: (-0.44 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.111 ( 0.000 0.302 0.476) 0.563 3.134 ( -0.000 -0.383 0.193) 0.428 3.552 ( -0.000 -3.439 3.712) 5.060 4.812 ( -0.000 -3.212 2.284) 3.941 5.358 ( 0.000 0.399 0.090) 0.409 5.565 ( 0.000 10.324 7.122) 12.542 5.899 ( -0.000 -17.380 -2.852) 17.612 5.994 ( -0.000 -9.937 -2.547) 10.258 7.717 ( 0.000 0.296 -5.153) 5.162 8.244 ( 0.000 1.308 8.773) 8.870 8.349 ( 0.000 0.493 -0.557) 0.744 8.636 ( -0.000 -3.981 -0.341) 3.995 9.318 ( 0.000 0.606 5.789) 5.820 9.500 ( -0.000 -0.053 3.718) 3.718 9.564 ( -0.000 -5.177 -3.396) 6.191 9.600 ( 0.000 2.664 -1.150) 2.901 9.757 ( -0.000 -4.256 -0.508) 4.287 9.768 ( -0.000 -10.746 -5.235) 11.953 10.073 ( 0.000 14.603 25.298) 29.210 10.331 ( -0.000 -2.109 21.990) 22.090 11.497 ( 0.000 0.634 -10.795) 10.814 11.598 ( 0.000 1.206 -5.995) 6.115 14.013 ( 0.000 15.375 0.122) 15.376 14.366 ( -0.000 -10.852 -8.187) 13.594 ======================= Grid point 581 (176/200) ======================= q-point: ( 0.00 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.130 ( 0.000 0.000 1.975) 1.975 3.427 ( 0.000 0.000 3.206) 3.206 4.270 ( 0.000 0.000 2.775) 2.775 5.126 ( 0.000 0.000 1.214) 1.214 6.027 ( 0.000 0.000 9.010) 9.010 6.251 ( 0.000 0.000 23.928) 23.928 6.883 ( 0.000 0.000 -25.997) 25.997 7.037 ( 0.000 0.000 3.239) 3.239 7.861 ( 0.000 0.000 4.510) 4.510 8.190 ( 0.000 0.000 -14.682) 14.682 8.498 ( 0.000 0.000 0.779) 0.779 8.520 ( 0.000 0.000 24.399) 24.399 8.901 ( 0.000 0.000 -7.984) 7.984 9.535 ( 0.000 0.000 1.142) 1.142 9.797 ( 0.000 0.000 14.658) 14.658 10.102 ( 0.000 0.000 -13.879) 13.879 10.279 ( 0.000 0.000 -0.147) 0.147 10.316 ( 0.000 0.000 28.919) 28.919 10.382 ( 0.000 0.000 13.898) 13.898 10.846 ( 0.000 0.000 3.487) 3.487 10.934 ( 0.000 0.000 -30.536) 30.536 11.058 ( 0.000 0.000 -18.642) 18.642 13.431 ( 0.000 0.000 30.844) 30.844 14.013 ( 0.000 0.000 -27.713) 27.713 ======================= Grid point 582 (177/200) ======================= q-point: ( 0.11 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.144 ( 1.580 0.025 1.755) 2.361 3.407 ( -1.338 1.286 3.080) 3.596 4.198 ( -4.650 4.479 2.401) 6.888 5.239 ( 13.147 0.396 1.292) 13.217 6.002 ( -4.276 0.442 11.684) 12.449 6.201 ( -2.546 3.595 19.281) 19.778 6.793 ( -7.515 9.312 -12.638) 17.404 6.924 ( -4.278 1.326 -9.880) 10.848 7.928 ( -0.328 4.137 6.339) 7.577 8.127 ( 9.279 7.978 -12.504) 17.495 8.504 ( 1.910 -0.833 1.936) 2.845 8.659 ( 2.496 -13.552 23.355) 27.117 9.006 ( 0.544 -15.092 -10.074) 18.154 9.534 ( -0.169 -0.120 1.060) 1.080 9.759 ( -1.547 4.599 14.480) 15.271 10.036 ( -3.971 5.966 -11.179) 13.279 10.065 ( -8.552 10.109 11.144) 17.307 10.251 ( -13.373 -1.280 4.651) 14.217 10.332 ( -1.639 5.860 12.398) 13.811 10.684 ( -11.214 -8.363 -12.401) 18.695 11.164 ( 20.820 8.453 -9.260) 24.304 11.330 ( 25.191 -2.458 -12.630) 28.287 13.376 ( -9.062 -3.562 29.782) 31.333 13.939 ( -10.348 -2.445 -27.028) 29.045 ======================= Grid point 583 (178/200) ======================= q-point: ( 0.22 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.175 ( 2.145 0.331 1.154) 2.458 3.363 ( -1.596 1.458 2.671) 3.436 4.044 ( -5.324 6.391 1.922) 8.538 5.522 ( 20.723 0.798 1.647) 20.804 5.831 ( -8.351 9.226 17.309) 21.318 6.091 ( -6.757 4.201 -3.113) 8.543 6.554 ( -5.785 5.900 10.517) 13.374 6.882 ( -2.590 -1.599 -16.897) 17.169 7.731 ( -8.772 8.866 -4.066) 13.118 8.307 ( 15.136 4.169 -0.121) 15.700 8.581 ( 6.542 -0.486 1.495) 6.729 8.889 ( 2.282 -18.311 21.794) 28.557 9.210 ( 0.302 -16.445 -8.947) 18.724 9.534 ( -0.533 -0.594 1.389) 1.602 9.612 ( -4.894 12.138 10.620) 16.854 9.838 ( -8.478 4.681 1.536) 9.805 9.849 ( -5.161 7.687 4.220) 10.175 10.051 ( -5.592 6.197 -9.348) 12.533 10.221 ( -5.731 2.683 14.132) 15.484 10.567 ( -12.789 -4.601 -15.227) 20.410 11.484 ( 28.135 8.544 -0.901) 29.417 11.782 ( 27.694 1.319 -9.924) 29.448 13.216 ( -17.167 -6.550 26.433) 32.192 13.735 ( -18.735 -4.599 -24.751) 31.380 ======================= Grid point 584 (179/200) ======================= q-point: ( 0.33 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.195 ( 0.875 0.925 0.310) 1.311 3.336 ( -0.151 0.350 2.016) 2.052 3.894 ( -3.922 5.433 2.057) 7.009 5.553 ( -7.959 9.964 10.147) 16.297 5.869 ( -1.295 4.338 -7.170) 8.480 5.920 ( 17.914 4.253 -1.112) 18.445 6.480 ( -1.718 -1.115 22.740) 22.832 6.845 ( -6.784 -3.712 -11.818) 14.123 7.483 ( -8.890 6.929 -10.221) 15.216 8.495 ( 11.111 0.938 4.485) 12.019 8.725 ( 8.814 -1.239 1.761) 9.073 9.137 ( 3.447 -14.700 15.607) 21.715 9.318 ( -4.860 8.318 3.564) 10.272 9.399 ( -3.517 -7.269 -3.077) 8.641 9.533 ( -0.794 0.189 3.057) 3.164 9.669 ( -3.765 5.181 -0.204) 6.408 9.746 ( -0.870 2.992 6.619) 7.315 9.902 ( -3.986 6.253 -5.646) 9.320 10.099 ( -4.719 1.860 7.771) 9.280 10.378 ( -13.082 -0.871 -15.172) 20.052 11.867 ( 30.055 9.541 3.929) 31.777 12.210 ( 27.273 4.138 -10.260) 29.431 12.965 ( -23.298 -8.677 20.539) 32.248 13.440 ( -23.566 -5.998 -20.532) 31.826 ======================= Grid point 585 (180/200) ======================= q-point: ( 0.44 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.190 ( -0.036 0.510 -0.410) 0.656 3.341 ( 0.410 -0.115 1.430) 1.492 3.802 ( -1.457 2.140 2.647) 3.703 5.366 ( -3.189 4.341 0.307) 5.395 5.719 ( -3.469 2.572 -1.800) 4.679 6.291 ( 22.557 3.691 0.229) 22.858 6.476 ( -2.935 -3.419 22.313) 22.764 6.708 ( -13.221 -2.394 -2.377) 13.645 7.318 ( -3.064 2.909 -17.347) 17.854 8.646 ( 5.415 -1.612 7.134) 9.100 8.866 ( 4.794 -1.370 1.582) 5.231 9.101 ( -4.345 7.361 1.863) 8.748 9.326 ( 3.000 -7.133 8.912) 11.802 9.452 ( -1.980 -3.257 3.107) 4.917 9.504 ( -1.227 0.409 5.627) 5.774 9.599 ( 0.563 2.470 1.851) 3.137 9.721 ( -1.138 0.471 1.190) 1.712 9.785 ( -1.854 3.021 1.765) 3.959 10.061 ( 2.562 0.463 -4.189) 4.932 10.180 ( -9.945 0.429 -11.524) 15.228 12.245 ( 27.914 9.699 9.384) 31.005 12.551 ( 9.043 0.706 -4.260) 10.021 12.679 ( -14.026 -5.647 3.420) 15.502 13.124 ( -19.845 -5.065 -14.287) 24.972 ======================= Grid point 591 (181/200) ======================= q-point: ( 0.11 0.11 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.180 ( 2.506 -0.000 1.397) 2.869 3.381 ( -2.612 0.000 2.810) 3.836 4.128 ( -6.324 0.000 2.114) 6.668 5.531 ( 20.488 -0.000 1.890) 20.575 5.929 ( -5.680 0.000 10.280) 11.745 6.146 ( -5.877 0.000 18.992) 19.881 6.695 ( -14.207 0.000 -2.852) 14.490 6.792 ( -5.522 0.000 -20.994) 21.708 7.853 ( -13.343 0.000 1.294) 13.406 8.440 ( 21.225 -0.000 -5.130) 21.836 8.545 ( 6.019 -0.000 8.342) 10.287 8.623 ( 0.110 -0.000 14.619) 14.619 8.988 ( 8.120 -0.000 -6.877) 10.640 9.527 ( -0.836 0.000 1.248) 1.502 9.750 ( -2.754 0.000 12.805) 13.098 9.934 ( -14.859 0.000 12.952) 19.712 9.964 ( -7.285 0.000 0.998) 7.353 10.084 ( -3.823 0.000 -11.306) 11.935 10.313 ( -6.851 0.000 2.373) 7.250 10.438 ( -11.343 0.000 -7.917) 13.832 11.609 ( 26.928 -0.000 -9.237) 28.469 11.793 ( 29.934 -0.000 -5.222) 30.386 13.134 ( -17.239 0.000 28.241) 33.087 13.676 ( -19.090 0.000 -25.836) 32.124 ======================= Grid point 592 (182/200) ======================= q-point: ( 0.22 0.11 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.217 ( 1.931 0.696 0.844) 2.220 3.333 ( -2.684 -0.315 2.340) 3.575 4.004 ( -6.052 3.038 1.808) 7.009 5.759 ( -5.118 6.654 15.003) 17.192 5.903 ( 12.364 -4.345 5.517) 14.219 6.023 ( -2.127 6.621 -1.999) 7.235 6.457 ( -9.530 0.384 4.491) 10.542 6.727 ( -7.706 -5.635 -15.695) 18.370 7.563 ( -18.452 0.973 -2.818) 18.692 8.555 ( 2.057 3.291 9.532) 10.292 8.698 ( 9.069 -0.803 2.824) 9.532 8.866 ( 17.650 -7.522 5.823) 20.051 9.189 ( 10.640 -3.984 -1.572) 11.470 9.479 ( -6.704 0.339 4.540) 8.104 9.652 ( -3.078 7.194 6.838) 10.392 9.739 ( -5.725 0.727 2.643) 6.348 9.841 ( -3.887 3.706 4.043) 6.722 10.015 ( -4.197 1.643 -11.761) 12.595 10.138 ( -8.632 3.474 5.041) 10.582 10.285 ( -13.046 -5.872 -8.033) 16.408 12.059 ( 30.532 5.279 -4.599) 31.325 12.274 ( 27.587 1.179 -4.700) 28.009 12.816 ( -22.771 -3.536 23.938) 33.227 13.327 ( -23.908 -2.882 -22.656) 33.064 ======================= Grid point 593 (183/200) ======================= q-point: ( 0.33 0.11 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.213 ( -0.519 1.496 0.319) 1.616 3.317 ( -0.990 -1.813 1.582) 2.602 3.872 ( -4.770 3.305 2.032) 6.149 5.543 ( -6.775 8.896 10.942) 15.645 5.790 ( -9.645 3.368 -8.023) 12.990 6.196 ( 1.920 -6.678 9.870) 12.071 6.448 ( 5.947 -3.168 5.400) 8.635 6.653 ( -4.226 -1.245 -6.769) 8.077 7.273 ( -17.566 -4.747 -8.852) 20.235 8.567 ( -0.731 -3.432 7.588) 8.360 8.842 ( 6.136 -0.451 3.569) 7.113 9.195 ( 9.118 -1.618 6.819) 11.501 9.293 ( -3.951 2.776 2.757) 5.560 9.391 ( 8.157 -0.604 2.938) 8.691 9.573 ( 1.838 5.994 2.464) 6.736 9.671 ( -0.824 1.837 1.250) 2.370 9.760 ( -1.759 3.195 2.272) 4.297 9.877 ( -6.583 4.383 -0.989) 7.970 10.041 ( -1.360 -2.022 -3.128) 3.965 10.134 ( -11.370 -4.016 -7.933) 14.434 12.396 ( -13.648 -1.746 15.401) 20.652 12.514 ( 19.356 4.612 3.509) 20.205 12.668 ( 7.723 0.343 -11.438) 13.805 13.023 ( -9.313 -3.005 -13.847) 16.956 ======================= Grid point 594 (184/200) ======================= q-point: ( 0.44 0.11 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.188 ( -0.844 0.353 -0.340) 0.976 3.321 ( -1.445 -1.773 1.241) 2.602 3.785 ( -2.523 0.646 2.515) 3.620 5.377 ( -2.148 5.016 0.389) 5.470 5.659 ( -4.901 -2.829 -1.901) 5.970 6.146 ( -16.336 -6.308 7.615) 19.096 6.433 ( -10.419 -7.109 11.622) 17.152 6.817 ( 20.191 5.990 -0.293) 21.062 7.121 ( -11.905 -12.442 -15.995) 23.503 8.590 ( -4.059 -5.161 6.028) 8.913 8.872 ( -3.344 -0.383 3.823) 5.094 9.058 ( -7.027 2.659 -0.206) 7.516 9.446 ( 5.414 -2.220 6.326) 8.617 9.490 ( 5.057 0.622 6.082) 7.934 9.557 ( 6.738 9.525 5.860) 13.056 9.670 ( 2.451 6.376 0.494) 6.849 9.701 ( 1.426 -1.386 -0.236) 2.003 9.764 ( -3.695 0.999 3.023) 4.877 10.029 ( -4.681 -1.975 -3.085) 5.944 10.117 ( 5.327 -4.348 -11.810) 13.666 12.046 ( -27.016 -6.642 13.994) 31.142 12.456 ( -23.788 -5.004 -14.660) 28.388 12.890 ( 27.247 9.745 6.041) 29.561 13.228 ( 23.035 3.263 -10.875) 25.682 ======================= Grid point 595 (185/200) ======================= q-point: (-0.44 0.11 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( -0.741 -0.557 -0.385) 1.004 3.311 ( -1.915 -1.782 1.594) 3.063 3.783 ( 0.353 -3.571 2.299) 4.262 5.381 ( 3.893 -3.445 0.568) 5.230 5.687 ( -4.533 -10.976 -2.203) 12.077 5.867 ( -15.762 0.358 1.786) 15.867 6.388 ( -7.631 -9.381 21.985) 25.091 6.921 ( -2.237 0.130 -12.205) 12.409 7.247 ( 8.488 -9.929 -8.623) 15.652 8.501 ( -9.500 0.469 4.600) 10.565 8.750 ( -10.284 0.714 0.975) 10.355 9.038 ( 0.416 -9.529 1.792) 9.705 9.507 ( 2.828 8.840 9.368) 13.187 9.521 ( 2.744 -1.940 3.677) 4.981 9.559 ( 4.071 5.140 7.898) 10.265 9.675 ( 5.339 4.019 3.516) 7.551 9.708 ( 0.487 2.621 -0.602) 2.733 9.788 ( 4.428 -1.455 -2.211) 5.158 10.029 ( 1.237 -2.567 5.582) 6.268 10.300 ( 7.784 -7.215 -18.555) 21.376 11.680 ( -25.362 -5.541 10.562) 28.027 12.102 ( -24.694 -4.507 -12.995) 28.266 13.194 ( 23.000 10.243 14.723) 29.167 13.570 ( 22.576 4.447 -16.763) 28.468 ======================= Grid point 596 (186/200) ======================= q-point: (-0.33 0.11 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.166 ( -1.542 -0.463 0.457) 1.674 3.314 ( -0.519 -2.664 2.244) 3.522 3.875 ( 2.742 -7.243 1.671) 7.923 5.475 ( -21.161 -4.263 0.697) 21.598 5.576 ( 8.670 -9.953 9.608) 16.326 5.936 ( 8.293 -7.940 -6.662) 13.274 6.386 ( -5.847 -10.336 22.092) 25.081 6.856 ( -7.485 -4.409 -17.828) 19.832 7.501 ( 8.096 -8.423 -5.966) 13.118 8.310 ( -9.924 3.272 3.035) 10.881 8.574 ( -9.452 -0.553 0.723) 9.496 9.232 ( 3.291 -15.725 3.887) 16.530 9.382 ( 3.845 20.855 20.110) 29.226 9.546 ( 0.423 1.013 2.023) 2.302 9.634 ( 5.378 2.704 -1.908) 6.315 9.693 ( 4.826 6.448 -3.359) 8.726 9.739 ( 4.738 -3.478 6.457) 8.731 9.883 ( 2.859 -5.395 -4.579) 7.632 10.119 ( 2.705 -6.589 13.050) 14.868 10.523 ( 6.796 -9.433 -22.778) 25.574 11.333 ( -21.781 -2.289 9.047) 23.697 11.744 ( -22.508 -1.396 -12.241) 25.659 13.410 ( 16.637 9.416 21.538) 28.798 13.856 ( 17.779 4.882 -21.625) 28.418 ======================= Grid point 597 (187/200) ======================= q-point: (-0.22 0.11 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( -1.396 -0.126 1.332) 1.934 3.352 ( 0.489 -3.285 2.836) 4.367 4.026 ( 3.224 -9.071 1.623) 9.763 5.216 ( -12.910 -1.802 1.065) 13.078 5.869 ( 9.894 -10.975 18.332) 23.546 6.107 ( 0.102 -4.812 5.313) 7.169 6.505 ( 4.666 -14.466 2.374) 15.384 6.797 ( -7.962 -8.260 -18.414) 21.695 7.711 ( 4.181 -10.428 -6.077) 12.773 8.110 ( -7.838 5.130 2.197) 9.622 8.472 ( -4.711 -2.338 0.723) 5.308 9.151 ( 1.696 24.804 23.243) 34.035 9.454 ( 3.143 0.936 0.518) 3.320 9.530 ( 1.633 3.052 -0.360) 3.480 9.551 ( 0.786 2.859 0.195) 2.971 9.831 ( 4.708 -9.657 5.336) 11.996 9.881 ( 3.828 -5.330 -1.459) 6.722 10.040 ( 4.326 -11.035 -0.583) 11.867 10.269 ( 6.565 -6.858 13.912) 16.843 10.731 ( 1.795 -12.645 -24.191) 27.355 11.020 ( -13.401 4.160 6.899) 15.636 11.388 ( -18.873 3.113 -12.451) 22.824 13.521 ( 8.837 8.121 26.375) 28.977 14.033 ( 9.924 4.778 -24.933) 27.258 ======================= Grid point 598 (188/200) ======================= q-point: (-0.11 0.11 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.130 ( -0.000 -0.001 1.764) 1.764 3.394 ( -0.000 -2.727 3.132) 4.153 4.163 ( -0.000 -8.213 2.136) 8.486 5.118 ( -0.000 -0.780 1.170) 1.407 6.061 ( 0.000 1.045 12.814) 12.857 6.133 ( -0.000 -9.545 20.811) 22.896 6.776 ( -0.000 -8.553 -22.009) 23.613 6.812 ( -0.000 -15.689 -2.493) 15.886 7.900 ( -0.000 -14.911 -9.146) 17.492 7.954 ( 0.000 6.915 3.621) 7.806 8.465 ( -0.000 -2.561 0.736) 2.664 8.876 ( 0.000 23.327 23.953) 33.435 9.244 ( 0.000 23.074 -10.636) 25.407 9.537 ( 0.000 0.118 1.191) 1.197 9.684 ( -0.000 -10.918 13.312) 17.216 9.983 ( -0.000 -7.183 -11.794) 13.809 10.014 ( -0.000 -11.847 10.411) 15.772 10.212 ( -0.000 -11.452 9.596) 14.941 10.453 ( -0.000 -1.164 12.582) 12.636 10.794 ( -0.000 -10.418 0.652) 10.438 10.942 ( 0.000 2.868 -25.647) 25.807 11.096 ( 0.000 6.815 -11.920) 13.731 13.510 ( 0.000 6.293 29.126) 29.798 14.065 ( 0.000 4.025 -26.708) 27.010 ======================= Grid point 601 (189/200) ======================= q-point: ( 0.22 0.22 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.249 ( 0.946 -0.000 0.442) 1.044 3.276 ( -3.295 0.000 1.945) 3.827 3.919 ( -6.052 0.000 1.640) 6.270 5.672 ( -9.454 0.000 9.178) 13.176 5.819 ( -8.462 0.000 15.972) 18.075 6.240 ( 5.900 -0.000 -11.317) 12.763 6.242 ( -12.718 0.000 -4.053) 13.348 6.664 ( 8.056 -0.000 -3.879) 8.941 7.200 ( -23.533 0.000 -2.687) 23.686 8.525 ( -3.222 0.000 8.702) 9.279 8.838 ( 6.751 -0.000 3.818) 7.756 9.175 ( 18.430 -0.000 4.327) 18.931 9.304 ( -8.119 0.000 6.031) 10.114 9.399 ( 9.382 -0.000 1.708) 9.536 9.665 ( -0.780 0.000 5.637) 5.691 9.709 ( 1.298 -0.000 -5.059) 5.223 9.809 ( -2.184 0.000 4.726) 5.207 9.955 ( -4.328 0.000 -9.498) 10.438 10.019 ( -11.130 0.000 -2.661) 11.444 10.033 ( -6.916 0.000 -0.068) 6.917 12.348 ( -24.538 0.000 19.749) 31.498 12.607 ( 31.008 -0.000 -4.982) 31.406 12.659 ( 0.097 -0.000 -9.744) 9.744 12.989 ( -2.103 0.000 -11.650) 11.838 ======================= Grid point 602 (190/200) ======================= q-point: ( 0.33 0.22 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.210 ( -2.038 1.511 0.687) 2.628 3.268 ( -1.585 -2.340 0.734) 2.921 3.814 ( -5.303 1.163 1.848) 5.735 5.500 ( -8.377 1.219 8.288) 11.847 5.638 ( -10.779 3.621 1.265) 11.441 6.049 ( -8.729 -1.643 7.158) 11.408 6.234 ( -12.029 -7.673 -8.860) 16.795 6.851 ( -20.257 -7.430 -5.878) 22.363 6.926 ( 19.165 2.338 0.125) 19.307 8.492 ( -2.440 -2.358 5.685) 6.621 8.870 ( -3.712 0.039 6.276) 7.292 9.123 ( -9.951 1.885 -2.458) 10.422 9.391 ( 5.436 -1.519 6.743) 8.794 9.516 ( 2.150 1.025 7.288) 7.668 9.676 ( 0.739 -0.603 -1.463) 1.747 9.734 ( 6.301 4.248 -5.333) 9.284 9.772 ( -1.658 0.905 3.508) 3.984 9.823 ( -3.462 4.145 -0.277) 5.408 9.959 ( -1.009 -3.816 -2.978) 4.944 10.041 ( 6.193 -1.140 -1.127) 6.397 11.944 ( -24.143 -2.112 16.158) 29.128 12.365 ( -24.082 -2.232 -15.992) 28.994 13.077 ( 28.357 5.118 -1.578) 28.859 13.265 ( 22.229 0.071 -4.491) 22.678 ======================= Grid point 603 (191/200) ======================= q-point: (-0.56 0.22 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.172 ( -1.376 0.154 -0.179) 1.397 3.259 ( -2.749 -2.404 0.913) 3.764 3.734 ( -3.390 -0.735 2.101) 4.056 5.398 ( -2.556 0.389 1.488) 2.983 5.440 ( -12.243 -4.721 -1.307) 13.186 5.907 ( -9.185 2.252 5.547) 10.964 6.120 ( -11.926 -11.104 8.502) 18.380 6.680 ( -16.942 -15.597 -12.790) 26.342 7.213 ( 17.604 3.118 -0.203) 17.879 8.479 ( -3.401 -2.145 3.847) 5.565 8.746 ( -10.152 -0.637 4.929) 11.304 8.938 ( -9.258 0.037 -3.636) 9.946 9.443 ( 0.803 -2.421 5.461) 6.027 9.515 ( -1.398 -0.615 4.288) 4.552 9.675 ( -0.064 -1.368 0.929) 1.655 9.693 ( -5.027 0.197 1.253) 5.185 9.782 ( 1.699 -2.280 -0.408) 2.873 9.857 ( 9.132 6.199 4.245) 11.825 10.046 ( 6.172 -1.486 -3.981) 7.494 10.172 ( 8.855 2.979 -1.881) 9.530 11.608 ( -18.425 -1.189 12.246) 22.155 12.016 ( -20.949 -2.663 -13.312) 24.963 13.418 ( 22.246 8.394 6.626) 24.683 13.628 ( 21.033 0.303 -10.800) 23.645 ======================= Grid point 604 (192/200) ======================= q-point: (-0.44 0.22 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( -1.230 -0.470 -0.275) 1.345 3.245 ( -2.265 -3.039 1.510) 4.080 3.731 ( -0.671 -4.702 1.676) 5.037 5.303 ( -15.924 -9.118 1.154) 18.386 5.418 ( 3.031 -3.852 -0.601) 4.938 5.809 ( 1.220 -1.857 2.219) 3.140 6.091 ( -9.335 -13.193 15.829) 22.622 6.604 ( -15.163 -15.897 -16.037) 27.199 7.430 ( 11.650 1.367 -1.583) 11.837 8.395 ( -5.715 2.981 3.131) 7.166 8.565 ( -11.310 -0.323 0.843) 11.346 8.902 ( -2.165 -10.563 0.776) 10.810 9.506 ( 0.017 -2.891 2.334) 3.716 9.524 ( 2.948 -4.119 1.936) 5.422 9.622 ( -2.561 -1.418 1.733) 3.402 9.734 ( 1.270 -4.378 4.207) 6.203 9.850 ( 1.360 -4.798 4.382) 6.639 9.889 ( 7.522 12.361 11.448) 18.451 10.152 ( 5.686 2.954 -4.275) 7.703 10.240 ( 0.867 -2.033 -10.399) 10.631 11.357 ( -10.726 2.732 8.242) 13.800 11.727 ( -16.123 -0.214 -10.849) 19.434 13.630 ( 15.483 8.867 13.880) 22.606 13.935 ( 16.582 1.561 -16.301) 23.305 ======================= Grid point 605 (193/200) ======================= q-point: (-0.33 0.22 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.137 ( -1.220 -0.316 0.619) 1.403 3.264 ( -0.587 -4.023 2.056) 4.556 3.815 ( 1.106 -8.329 1.073) 8.470 5.139 ( -11.839 -5.149 0.971) 12.947 5.599 ( 7.787 -10.404 8.672) 15.623 5.931 ( -0.035 -9.119 9.027) 12.831 6.155 ( 1.236 -14.334 2.629) 14.625 6.536 ( -14.157 -14.274 -16.935) 26.286 7.572 ( 5.581 -1.361 -3.197) 6.575 8.254 ( -4.141 6.054 2.850) 7.869 8.421 ( -6.513 -1.679 0.402) 6.738 9.064 ( 0.582 -17.313 2.956) 17.573 9.545 ( 0.176 -0.239 2.675) 2.692 9.575 ( 0.751 -2.537 5.270) 5.897 9.729 ( 6.215 -5.583 2.277) 8.659 9.774 ( 3.746 11.165 12.334) 17.054 9.821 ( 1.473 -0.167 7.215) 7.365 9.979 ( 3.607 -7.661 1.341) 8.573 10.101 ( 2.329 14.434 -1.190) 14.669 10.304 ( -8.775 -19.153 -15.125) 25.935 11.187 ( -2.682 7.223 0.846) 7.751 11.478 ( -11.091 4.068 -7.798) 14.155 13.725 ( 8.232 8.763 19.768) 23.137 14.128 ( 9.261 2.791 -20.479) 22.648 ======================= Grid point 606 (194/200) ======================= q-point: (-0.22 0.22 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( -0.000 -0.162 1.216) 1.227 3.310 ( -0.000 -4.221 2.628) 4.972 3.939 ( -0.000 -9.993 1.115) 10.056 5.079 ( -0.000 -2.804 1.087) 3.008 5.848 ( -0.000 -13.671 13.931) 19.518 5.986 ( -0.000 -7.670 20.773) 22.144 6.437 ( -0.000 -15.356 -14.958) 21.437 6.510 ( -0.000 -13.669 -14.552) 19.965 7.654 ( -0.000 -5.288 -4.841) 7.169 8.134 ( 0.000 7.688 2.970) 8.241 8.396 ( -0.000 -2.918 0.535) 2.966 9.290 ( -0.000 -19.030 5.529) 19.817 9.464 ( 0.000 23.279 21.020) 31.365 9.541 ( 0.000 0.209 1.281) 1.298 9.741 ( -0.000 -2.000 5.568) 5.916 9.848 ( 0.000 5.219 -6.256) 8.147 9.864 ( 0.000 9.734 0.246) 9.737 9.934 ( -0.000 -11.355 6.352) 13.011 10.225 ( -0.000 -15.640 -2.369) 15.819 10.416 ( -0.000 -19.491 -5.088) 20.144 11.090 ( 0.000 7.970 -11.033) 13.610 11.290 ( 0.000 8.152 -3.980) 9.072 13.693 ( 0.000 8.630 24.088) 25.587 14.167 ( 0.000 3.961 -23.448) 23.780 ======================= Grid point 611 (195/200) ======================= q-point: ( 0.33 0.33 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( -2.223 0.000 0.961) 2.422 3.220 ( -2.490 0.000 -0.186) 2.497 3.731 ( -5.125 0.000 1.818) 5.438 5.296 ( -13.265 0.000 2.114) 13.432 5.533 ( -7.455 0.000 6.988) 10.219 5.873 ( -8.662 0.000 3.028) 9.176 6.030 ( -9.048 0.000 -6.486) 11.133 6.445 ( -19.439 0.000 -4.477) 19.948 7.257 ( 16.840 -0.000 0.125) 16.841 8.446 ( -1.585 0.000 3.769) 4.088 8.739 ( -10.480 0.000 6.703) 12.440 8.952 ( -11.953 0.000 -6.937) 13.821 9.418 ( -0.135 0.000 6.277) 6.278 9.497 ( -2.258 0.000 10.584) 10.822 9.671 ( -1.228 0.000 -4.388) 4.556 9.702 ( -5.016 0.000 0.914) 5.099 9.771 ( -3.034 0.000 -0.783) 3.133 9.803 ( -0.585 0.000 -13.807) 13.819 10.080 ( 12.657 -0.000 5.432) 13.773 10.246 ( 14.864 -0.000 7.356) 16.585 11.598 ( -15.633 0.000 12.221) 19.843 11.984 ( -19.214 0.000 -13.109) 23.260 13.553 ( 24.215 -0.000 -3.087) 24.411 13.597 ( 17.893 -0.000 -2.076) 18.013 ======================= Grid point 612 (196/200) ======================= q-point: (-0.56 0.33 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( -1.404 0.102 -0.013) 1.407 3.185 ( -2.886 -1.791 0.336) 3.413 3.661 ( -3.560 -1.355 1.705) 4.174 5.106 ( -13.533 -5.659 0.297) 14.672 5.411 ( -3.246 1.948 1.185) 3.967 5.792 ( -6.002 -4.007 8.037) 10.802 5.882 ( -6.159 0.118 -1.316) 6.299 6.245 ( -14.115 -11.653 -7.113) 19.637 7.477 ( 10.700 1.477 -0.673) 10.822 8.424 ( -1.970 -0.213 2.825) 3.451 8.556 ( -11.115 -0.222 2.902) 11.490 8.769 ( -8.944 -1.601 -3.222) 9.640 9.423 ( 0.019 -2.978 3.479) 4.580 9.470 ( -1.882 -0.777 6.189) 6.515 9.618 ( -3.854 0.028 1.144) 4.020 9.646 ( -1.667 -0.688 -0.609) 1.904 9.747 ( -0.534 -1.736 -0.860) 2.010 9.818 ( -4.965 -9.369 -11.778) 15.848 10.247 ( 10.511 6.435 8.104) 14.750 10.444 ( 11.888 5.800 7.983) 15.450 11.412 ( -6.502 1.409 6.810) 9.521 11.726 ( -12.207 0.047 -9.281) 15.335 13.807 ( 13.918 5.836 2.986) 15.385 13.925 ( 16.226 -2.200 -7.392) 17.966 ======================= Grid point 613 (197/200) ======================= q-point: (-0.44 0.33 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( -1.166 -0.298 -0.071) 1.206 3.177 ( -1.289 -3.073 0.872) 3.445 3.658 ( -1.121 -4.804 1.185) 5.073 4.984 ( -9.541 -7.014 0.780) 11.867 5.417 ( 1.551 -5.102 0.642) 5.371 5.754 ( -3.767 -4.932 11.606) 13.161 5.889 ( 1.711 -7.529 -2.215) 8.032 6.185 ( -12.129 -13.768 -8.986) 20.431 7.589 ( 5.243 1.543 -1.795) 5.753 8.366 ( -2.729 3.033 2.872) 4.989 8.398 ( -7.303 -0.322 0.295) 7.316 8.741 ( -2.409 -9.348 0.083) 9.654 9.460 ( -0.869 -3.751 5.005) 6.315 9.522 ( 3.929 -6.188 -0.825) 7.376 9.572 ( -1.407 -1.248 1.036) 2.148 9.664 ( -1.681 -6.299 4.891) 8.150 9.773 ( -0.303 -3.712 -1.905) 4.184 9.856 ( -6.256 -13.687 -9.626) 17.864 10.257 ( 4.835 13.831 12.380) 19.182 10.488 ( 6.078 12.373 4.491) 14.499 11.323 ( -1.055 4.112 0.159) 4.249 11.558 ( -6.630 2.507 -4.960) 8.651 13.910 ( 7.311 6.699 9.090) 13.452 14.152 ( 8.784 -0.669 -12.329) 15.153 ======================= Grid point 614 (198/200) ======================= q-point: (-0.33 0.33 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.122 ( -0.000 -0.368 0.531) 0.646 3.209 ( -0.000 -4.035 1.396) 4.270 3.726 ( -0.000 -7.672 0.804) 7.714 4.975 ( -0.000 -6.021 1.107) 6.122 5.547 ( -0.000 -11.095 5.890) 12.561 5.783 ( -0.000 -7.553 16.827) 18.445 6.094 ( -0.000 -13.629 -14.026) 19.557 6.180 ( -0.000 -13.085 -6.779) 14.737 7.619 ( 0.000 0.858 -2.677) 2.811 8.290 ( 0.000 5.262 2.958) 6.037 8.344 ( -0.000 -1.308 0.114) 1.313 8.872 ( -0.000 -15.037 1.501) 15.112 9.517 ( -0.000 -6.071 6.433) 8.845 9.546 ( 0.000 0.249 1.307) 1.330 9.707 ( -0.000 -7.657 4.120) 8.695 9.727 ( -0.000 -9.324 2.055) 9.548 9.838 ( -0.000 -9.388 -6.435) 11.382 9.968 ( -0.000 -17.181 -6.050) 18.215 10.093 ( 0.000 19.243 16.205) 25.158 10.358 ( 0.000 18.062 -0.617) 18.073 11.260 ( 0.000 6.018 -5.505) 8.157 11.450 ( 0.000 5.318 -1.878) 5.640 13.889 ( 0.000 7.673 15.277) 17.096 14.226 ( 0.000 0.817 -17.127) 17.146 ======================= Grid point 621 (199/200) ======================= q-point: ( 0.44 -0.56 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.130 ( -1.965 0.000 -0.161) 1.972 3.133 ( -0.702 0.000 0.058) 0.705 3.600 ( -2.254 0.000 1.377) 2.641 4.886 ( -8.340 0.000 0.256) 8.344 5.357 ( -2.825 0.000 0.260) 2.837 5.703 ( -1.788 0.000 1.580) 2.386 5.811 ( -3.460 0.000 0.626) 3.516 5.995 ( -7.278 0.000 -1.760) 7.488 7.611 ( 4.753 -0.000 -1.464) 4.974 8.385 ( -5.419 0.000 2.351) 5.907 8.407 ( -3.387 0.000 0.979) 3.525 8.637 ( -4.870 0.000 -1.134) 5.000 9.388 ( -0.778 0.000 2.018) 2.163 9.451 ( -0.031 0.000 2.047) 2.047 9.569 ( -1.902 0.000 1.492) 2.417 9.622 ( -1.341 0.000 -1.900) 2.326 9.647 ( -5.595 0.000 -6.853) 8.847 9.738 ( -0.022 0.000 0.233) 0.234 10.431 ( 6.084 -0.000 7.916) 9.984 10.638 ( 6.632 -0.000 10.667) 12.561 11.372 ( -0.710 0.000 0.316) 0.777 11.588 ( -5.264 0.000 -4.111) 6.679 14.006 ( 6.300 -0.000 -2.380) 6.735 14.126 ( 9.161 -0.000 -2.161) 9.413 ======================= Grid point 623 (200/200) ======================= q-point: (-0.44 0.44 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.114 ( -0.000 -0.222 -0.012) 0.223 3.137 ( -0.000 -1.764 0.109) 1.768 3.599 ( -0.000 -2.922 1.120) 3.129 4.839 ( -0.000 -4.064 0.591) 4.106 5.359 ( -0.000 -4.367 0.014) 4.367 5.688 ( -0.000 -0.482 4.783) 4.807 5.833 ( -0.000 -7.658 -3.309) 8.342 5.961 ( -0.000 -4.863 -0.817) 4.932 7.645 ( 0.000 0.787 -1.944) 2.098 8.325 ( -0.000 -0.182 0.516) 0.547 8.379 ( 0.000 1.875 2.299) 2.967 8.628 ( -0.000 -5.362 -0.252) 5.367 9.405 ( -0.000 -3.551 3.716) 5.140 9.487 ( -0.000 -5.710 -3.982) 6.961 9.552 ( 0.000 0.226 1.345) 1.364 9.593 ( -0.000 -1.629 0.639) 1.750 9.667 ( -0.000 -7.915 -3.909) 8.827 9.746 ( -0.000 -1.365 -0.365) 1.413 10.435 ( 0.000 7.986 9.736) 12.592 10.654 ( 0.000 6.637 9.095) 11.259 11.358 ( 0.000 2.166 -3.424) 4.051 11.534 ( 0.000 1.814 -1.209) 2.180 14.033 ( 0.000 4.074 1.858) 4.478 14.213 ( -0.000 -1.331 -5.980) 6.126 =================== 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 3/29160 10.0 1332.434 1058.407 1699.618 0.000 0.000 0.000 3/29160 20.0 538.987 832.992 987.000 0.000 0.000 0.000 3/29160 30.0 279.290 378.038 344.922 0.000 0.000 0.000 3/29160 40.0 153.802 189.418 175.961 0.000 0.000 0.000 3/29160 50.0 96.577 112.623 109.989 0.000 0.000 0.000 3/29160 60.0 67.174 75.172 77.067 0.000 0.000 0.000 3/29160 70.0 50.235 54.338 58.083 0.000 0.000 0.000 3/29160 80.0 39.612 41.670 46.101 0.000 0.000 0.000 3/29160 90.0 32.505 33.440 38.039 0.000 0.000 0.000 3/29160 100.0 27.501 27.803 32.334 0.000 0.000 0.000 3/29160 110.0 23.825 23.765 28.129 0.000 0.000 0.000 3/29160 120.0 21.030 20.760 24.919 0.000 0.000 0.000 3/29160 130.0 18.840 18.450 22.396 0.000 0.000 0.000 3/29160 140.0 17.082 16.625 20.363 0.000 0.000 0.000 3/29160 150.0 15.641 15.149 18.691 0.000 0.000 0.000 3/29160 160.0 14.438 13.930 17.290 0.000 0.000 0.000 3/29160 170.0 13.418 12.906 16.098 0.000 0.000 0.000 3/29160 180.0 12.541 12.033 15.071 0.000 0.000 0.000 3/29160 190.0 11.780 11.280 14.176 0.000 0.000 0.000 3/29160 200.0 11.111 10.622 13.387 0.000 0.000 0.000 3/29160 210.0 10.519 10.041 12.688 0.000 0.000 0.000 3/29160 220.0 9.990 9.526 12.061 0.000 0.000 0.000 3/29160 230.0 9.515 9.063 11.498 0.000 0.000 0.000 3/29160 240.0 9.086 8.647 10.987 0.000 0.000 0.000 3/29160 250.0 8.695 8.269 10.521 0.000 0.000 0.000 3/29160 260.0 8.338 7.925 10.096 0.000 0.000 0.000 3/29160 270.0 8.011 7.609 9.705 0.000 0.000 0.000 3/29160 280.0 7.710 7.319 9.344 0.000 0.000 0.000 3/29160 290.0 7.431 7.052 9.010 0.000 0.000 0.000 3/29160 300.0 7.173 6.804 8.700 0.000 0.000 0.000 3/29160 310.0 6.932 6.573 8.411 0.000 0.000 0.000 3/29160 320.0 6.708 6.358 8.141 0.000 0.000 0.000 3/29160 330.0 6.498 6.158 7.889 0.000 0.000 0.000 3/29160 340.0 6.301 5.970 7.652 0.000 0.000 0.000 3/29160 350.0 6.116 5.793 7.429 0.000 0.000 0.000 3/29160 360.0 5.942 5.627 7.219 0.000 0.000 0.000 3/29160 370.0 5.778 5.470 7.021 0.000 0.000 0.000 3/29160 380.0 5.623 5.322 6.834 0.000 0.000 0.000 3/29160 390.0 5.476 5.182 6.657 0.000 0.000 0.000 3/29160 400.0 5.337 5.050 6.488 0.000 0.000 0.000 3/29160 410.0 5.205 4.924 6.329 0.000 0.000 0.000 3/29160 420.0 5.079 4.804 6.177 0.000 0.000 0.000 3/29160 430.0 4.960 4.691 6.032 0.000 0.000 0.000 3/29160 440.0 4.846 4.582 5.894 0.000 0.000 0.000 3/29160 450.0 4.737 4.479 5.762 0.000 0.000 0.000 3/29160 460.0 4.633 4.380 5.636 0.000 0.000 0.000 3/29160 470.0 4.533 4.286 5.516 0.000 0.000 0.000 3/29160 480.0 4.438 4.195 5.400 0.000 0.000 0.000 3/29160 490.0 4.347 4.108 5.290 0.000 0.000 0.000 3/29160 500.0 4.259 4.025 5.183 0.000 0.000 0.000 3/29160 510.0 4.175 3.946 5.082 0.000 0.000 0.000 3/29160 520.0 4.095 3.869 4.984 0.000 0.000 0.000 3/29160 530.0 4.017 3.795 4.889 0.000 0.000 0.000 3/29160 540.0 3.942 3.724 4.799 0.000 0.000 0.000 3/29160 550.0 3.870 3.656 4.711 0.000 0.000 0.000 3/29160 560.0 3.801 3.590 4.627 0.000 0.000 0.000 3/29160 570.0 3.734 3.527 4.546 0.000 0.000 0.000 3/29160 580.0 3.670 3.466 4.468 0.000 0.000 0.000 3/29160 590.0 3.607 3.407 4.392 0.000 0.000 0.000 3/29160 600.0 3.547 3.350 4.319 0.000 0.000 0.000 3/29160 610.0 3.489 3.294 4.248 0.000 0.000 0.000 3/29160 620.0 3.432 3.241 4.179 0.000 0.000 0.000 3/29160 630.0 3.378 3.189 4.113 0.000 0.000 0.000 3/29160 640.0 3.325 3.139 4.049 0.000 0.000 0.000 3/29160 650.0 3.274 3.091 3.987 0.000 0.000 0.000 3/29160 660.0 3.224 3.044 3.926 0.000 0.000 0.000 3/29160 670.0 3.176 2.998 3.868 0.000 0.000 0.000 3/29160 680.0 3.129 2.954 3.811 0.000 0.000 0.000 3/29160 690.0 3.084 2.911 3.756 0.000 0.000 0.000 3/29160 700.0 3.040 2.870 3.702 0.000 0.000 0.000 3/29160 710.0 2.997 2.829 3.650 0.000 0.000 0.000 3/29160 720.0 2.956 2.790 3.600 0.000 0.000 0.000 3/29160 730.0 2.915 2.751 3.551 0.000 0.000 0.000 3/29160 740.0 2.876 2.714 3.503 0.000 0.000 0.000 3/29160 750.0 2.838 2.678 3.456 0.000 0.000 0.000 3/29160 760.0 2.800 2.643 3.411 0.000 0.000 0.000 3/29160 770.0 2.764 2.608 3.367 0.000 0.000 0.000 3/29160 780.0 2.729 2.575 3.324 0.000 0.000 0.000 3/29160 790.0 2.694 2.542 3.282 0.000 0.000 0.000 3/29160 800.0 2.660 2.510 3.241 0.000 0.000 0.000 3/29160 810.0 2.628 2.479 3.201 0.000 0.000 0.000 3/29160 820.0 2.596 2.449 3.162 0.000 0.000 0.000 3/29160 830.0 2.564 2.420 3.124 0.000 0.000 0.000 3/29160 840.0 2.534 2.391 3.087 0.000 0.000 0.000 3/29160 850.0 2.504 2.363 3.051 0.000 0.000 0.000 3/29160 860.0 2.475 2.335 3.015 0.000 0.000 0.000 3/29160 870.0 2.447 2.308 2.981 0.000 0.000 0.000 3/29160 880.0 2.419 2.282 2.947 0.000 0.000 0.000 3/29160 890.0 2.392 2.256 2.914 0.000 0.000 0.000 3/29160 900.0 2.365 2.231 2.882 0.000 0.000 0.000 3/29160 910.0 2.339 2.207 2.850 0.000 0.000 0.000 3/29160 920.0 2.314 2.183 2.819 0.000 0.000 0.000 3/29160 930.0 2.289 2.159 2.789 0.000 0.000 0.000 3/29160 940.0 2.265 2.136 2.759 0.000 0.000 0.000 3/29160 950.0 2.241 2.114 2.730 0.000 0.000 0.000 3/29160 960.0 2.218 2.092 2.702 0.000 0.000 0.000 3/29160 970.0 2.195 2.070 2.674 0.000 0.000 0.000 3/29160 980.0 2.173 2.049 2.647 0.000 0.000 0.000 3/29160 990.0 2.151 2.029 2.620 0.000 0.000 0.000 3/29160 1000.0 2.129 2.008 2.594 0.000 0.000 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m9915.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:41:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|