----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:34:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.524113170000000 2.524113170000000 5.153327465000000 b 2.524113170000000 -2.524113170000000 5.153327465000000 c 2.524113170000000 2.524113170000000 -5.153327465000000 Atomic positions (fractional): *1 Hf 0.75000000000000 0.25000000000000 0.50000000000000 178.490 2 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 *3 Zr 0.25000000000000 0.75000000000000 0.50000000000000 91.224 4 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 *5 O 0.89723370413157 0.39687661714647 0.99648924423325 15.999 6 O 0.34961262708678 0.34925554010169 0.49648924423325 15.999 7 O 0.60312338285353 0.59961262708678 0.50035708698509 15.999 8 O 0.65074445989831 0.14723370413157 0.00035708698509 15.999 9 O 0.09925554010169 0.10276629586843 0.49964291301491 15.999 10 O 0.14687661714647 0.65038737291322 0.99964291301491 15.999 11 O 0.85276629586843 0.85312338285353 0.50351075576675 15.999 12 O 0.40038737291322 0.90074445989831 0.00351075576675 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.048226340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.048226340000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.306654930000001 Atomic positions (fractional): *1 Hf 0.00000000000000 0.50000000000000 0.25000000000000 178.490 > 1 2 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 2 3 Hf 0.50000000000000 0.00000000000000 0.75000000000000 178.490 > 1 4 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 > 2 *5 Zr 0.50000000000000 0.00000000000000 0.25000000000000 91.224 > 3 6 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 > 4 7 Zr 0.00000000000000 0.50000000000000 0.75000000000000 91.224 > 3 8 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 > 4 *9 O 0.24806607862408 0.74842316560917 0.14881053852239 15.999 > 5 10 O 0.24806607862408 0.24842316560917 0.10118946147761 15.999 > 6 11 O 0.24842316560917 0.25193392137592 0.35118946147761 15.999 > 7 12 O 0.74842316560917 0.25193392137592 0.39881053852239 15.999 > 8 13 O 0.75157683439083 0.74806607862408 0.35118946147761 15.999 > 9 14 O 0.25157683439083 0.74806607862408 0.39881053852239 15.999 > 10 15 O 0.75193392137592 0.75157683439083 0.10118946147761 15.999 > 11 16 O 0.75193392137592 0.25157683439083 0.14881053852239 15.999 > 12 17 O 0.74806607862408 0.24842316560917 0.64881053852239 15.999 > 5 18 O 0.74806607862408 0.74842316560917 0.60118946147761 15.999 > 6 19 O 0.74842316560917 0.75193392137592 0.85118946147761 15.999 > 7 20 O 0.24842316560917 0.75193392137592 0.89881053852239 15.999 > 8 21 O 0.25157683439083 0.24806607862408 0.85118946147761 15.999 > 9 22 O 0.75157683439083 0.24806607862408 0.89881053852239 15.999 > 10 23 O 0.25193392137592 0.25157683439083 0.60118946147761 15.999 > 11 24 O 0.25193392137592 0.75157683439083 0.64881053852239 15.999 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.096452680000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.096452680000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.306654930000001 Atomic positions (fractional): *1 Hf 0.00000000000000 0.25000000000000 0.25000000000000 178.490 > 1 2 Hf 0.50000000000000 0.25000000000000 0.25000000000000 178.490 > 1 3 Hf 0.00000000000000 0.75000000000000 0.25000000000000 178.490 > 1 4 Hf 0.50000000000000 0.75000000000000 0.25000000000000 178.490 > 1 5 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 2 6 Hf 0.50000000000000 0.00000000000000 0.00000000000000 178.490 > 2 7 Hf 0.00000000000000 0.50000000000000 0.00000000000000 178.490 > 2 8 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 > 2 9 Hf 0.25000000000000 0.00000000000000 0.75000000000000 178.490 > 1 10 Hf 0.75000000000000 0.00000000000000 0.75000000000000 178.490 > 1 11 Hf 0.25000000000000 0.50000000000000 0.75000000000000 178.490 > 1 12 Hf 0.75000000000000 0.50000000000000 0.75000000000000 178.490 > 1 13 Hf 0.25000000000000 0.25000000000000 0.50000000000000 178.490 > 2 14 Hf 0.75000000000000 0.25000000000000 0.50000000000000 178.490 > 2 15 Hf 0.25000000000000 0.75000000000000 0.50000000000000 178.490 > 2 16 Hf 0.75000000000000 0.75000000000000 0.50000000000000 178.490 > 2 *17 Zr 0.25000000000000 0.00000000000000 0.25000000000000 91.224 > 3 18 Zr 0.75000000000000 0.00000000000000 0.25000000000000 91.224 > 3 19 Zr 0.25000000000000 0.50000000000000 0.25000000000000 91.224 > 3 20 Zr 0.75000000000000 0.50000000000000 0.25000000000000 91.224 > 3 21 Zr 0.25000000000000 0.25000000000000 0.00000000000000 91.224 > 4 22 Zr 0.75000000000000 0.25000000000000 0.00000000000000 91.224 > 4 23 Zr 0.25000000000000 0.75000000000000 0.00000000000000 91.224 > 4 24 Zr 0.75000000000000 0.75000000000000 0.00000000000000 91.224 > 4 25 Zr 0.00000000000000 0.25000000000000 0.75000000000000 91.224 > 3 26 Zr 0.50000000000000 0.25000000000000 0.75000000000000 91.224 > 3 27 Zr 0.00000000000000 0.75000000000000 0.75000000000000 91.224 > 3 28 Zr 0.50000000000000 0.75000000000000 0.75000000000000 91.224 > 3 29 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 > 4 30 Zr 0.50000000000000 0.00000000000000 0.50000000000000 91.224 > 4 31 Zr 0.00000000000000 0.50000000000000 0.50000000000000 91.224 > 4 32 Zr 0.50000000000000 0.50000000000000 0.50000000000000 91.224 > 4 *33 O 0.12403303931204 0.37421158280459 0.14881053852239 15.999 > 5 34 O 0.62403303931204 0.37421158280459 0.14881053852239 15.999 > 5 35 O 0.12403303931204 0.87421158280459 0.14881053852239 15.999 > 5 36 O 0.62403303931204 0.87421158280459 0.14881053852239 15.999 > 5 37 O 0.12403303931204 0.12421158280459 0.10118946147761 15.999 > 6 38 O 0.62403303931204 0.12421158280459 0.10118946147761 15.999 > 6 39 O 0.12403303931204 0.62421158280459 0.10118946147761 15.999 > 6 40 O 0.62403303931204 0.62421158280459 0.10118946147761 15.999 > 6 41 O 0.12421158280459 0.12596696068796 0.35118946147761 15.999 > 7 42 O 0.62421158280459 0.12596696068796 0.35118946147761 15.999 > 7 43 O 0.12421158280459 0.62596696068796 0.35118946147761 15.999 > 7 44 O 0.62421158280459 0.62596696068796 0.35118946147761 15.999 > 7 45 O 0.37421158280459 0.12596696068796 0.39881053852239 15.999 > 8 46 O 0.87421158280459 0.12596696068796 0.39881053852239 15.999 > 8 47 O 0.37421158280459 0.62596696068796 0.39881053852239 15.999 > 8 48 O 0.87421158280459 0.62596696068796 0.39881053852239 15.999 > 8 49 O 0.37578841719541 0.37403303931204 0.35118946147761 15.999 > 9 50 O 0.87578841719541 0.37403303931204 0.35118946147761 15.999 > 9 51 O 0.37578841719541 0.87403303931204 0.35118946147761 15.999 > 9 52 O 0.87578841719541 0.87403303931204 0.35118946147761 15.999 > 9 53 O 0.12578841719541 0.37403303931204 0.39881053852239 15.999 > 10 54 O 0.62578841719541 0.37403303931204 0.39881053852239 15.999 > 10 55 O 0.12578841719541 0.87403303931204 0.39881053852239 15.999 > 10 56 O 0.62578841719541 0.87403303931204 0.39881053852239 15.999 > 10 57 O 0.37596696068796 0.37578841719541 0.10118946147761 15.999 > 11 58 O 0.87596696068796 0.37578841719541 0.10118946147761 15.999 > 11 59 O 0.37596696068796 0.87578841719541 0.10118946147761 15.999 > 11 60 O 0.87596696068796 0.87578841719541 0.10118946147761 15.999 > 11 61 O 0.37596696068796 0.12578841719541 0.14881053852239 15.999 > 12 62 O 0.87596696068796 0.12578841719541 0.14881053852239 15.999 > 12 63 O 0.37596696068796 0.62578841719541 0.14881053852239 15.999 > 12 64 O 0.87596696068796 0.62578841719541 0.14881053852239 15.999 > 12 65 O 0.37403303931204 0.12421158280459 0.64881053852239 15.999 > 5 66 O 0.87403303931204 0.12421158280459 0.64881053852239 15.999 > 5 67 O 0.37403303931204 0.62421158280459 0.64881053852239 15.999 > 5 68 O 0.87403303931204 0.62421158280459 0.64881053852239 15.999 > 5 69 O 0.37403303931204 0.37421158280459 0.60118946147761 15.999 > 6 70 O 0.87403303931204 0.37421158280459 0.60118946147761 15.999 > 6 71 O 0.37403303931204 0.87421158280459 0.60118946147761 15.999 > 6 72 O 0.87403303931204 0.87421158280459 0.60118946147761 15.999 > 6 73 O 0.37421158280459 0.37596696068796 0.85118946147761 15.999 > 7 74 O 0.87421158280459 0.37596696068796 0.85118946147761 15.999 > 7 75 O 0.37421158280459 0.87596696068796 0.85118946147761 15.999 > 7 76 O 0.87421158280459 0.87596696068796 0.85118946147761 15.999 > 7 77 O 0.12421158280459 0.37596696068796 0.89881053852239 15.999 > 8 78 O 0.62421158280459 0.37596696068796 0.89881053852239 15.999 > 8 79 O 0.12421158280459 0.87596696068796 0.89881053852239 15.999 > 8 80 O 0.62421158280459 0.87596696068796 0.89881053852239 15.999 > 8 81 O 0.12578841719541 0.12403303931204 0.85118946147761 15.999 > 9 82 O 0.62578841719541 0.12403303931204 0.85118946147761 15.999 > 9 83 O 0.12578841719541 0.62403303931204 0.85118946147761 15.999 > 9 84 O 0.62578841719541 0.62403303931204 0.85118946147761 15.999 > 9 85 O 0.37578841719541 0.12403303931204 0.89881053852239 15.999 > 10 86 O 0.87578841719541 0.12403303931204 0.89881053852239 15.999 > 10 87 O 0.37578841719541 0.62403303931204 0.89881053852239 15.999 > 10 88 O 0.87578841719541 0.62403303931204 0.89881053852239 15.999 > 10 89 O 0.12596696068796 0.12578841719541 0.60118946147761 15.999 > 11 90 O 0.62596696068796 0.12578841719541 0.60118946147761 15.999 > 11 91 O 0.12596696068796 0.62578841719541 0.60118946147761 15.999 > 11 92 O 0.62596696068796 0.62578841719541 0.60118946147761 15.999 > 11 93 O 0.12596696068796 0.37578841719541 0.64881053852239 15.999 > 12 94 O 0.62596696068796 0.37578841719541 0.64881053852239 15.999 > 12 95 O 0.12596696068796 0.87578841719541 0.64881053852239 15.999 > 12 96 O 0.62596696068796 0.87578841719541 0.64881053852239 15.999 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5467778 0.0000056 0.0000000 -0.0000056 5.5467778 0.0000000 0.0000000 0.0000000 5.0077080 -------------------------- Born effective charges -------------------------- 1 Hf 5.6149494 -0.0330235 0.0000000 0.0330235 5.6149494 0.0000000 0.0000000 0.0000000 4.8516358 2 Hf 5.6149494 -0.0330235 0.0000000 0.0330235 5.6149494 0.0000000 0.0000000 0.0000000 4.8516358 3 Zr 5.6506212 0.0325291 0.0000000 -0.0325291 5.6506212 0.0000000 0.0000000 0.0000000 5.0015638 4 Zr 5.6506212 0.0325291 0.0000000 -0.0325291 5.6506212 0.0000000 0.0000000 0.0000000 5.0015638 5 O -2.8162260 -0.6837671 0.0048791 -0.6840144 -2.8165593 -0.0464138 -0.0329951 -0.0373830 -2.4632999 6 O -2.8162260 -0.6837671 -0.0048791 -0.6840144 -2.8165593 0.0464138 0.0329951 0.0373830 -2.4632999 7 O -2.8165593 0.6840144 0.0464138 0.6837671 -2.8162260 0.0048791 0.0373830 -0.0329951 -2.4632999 8 O -2.8165593 0.6840144 -0.0464138 0.6837671 -2.8162260 -0.0048791 -0.0373830 0.0329951 -2.4632999 9 O -2.8165593 0.6840144 -0.0464138 0.6837671 -2.8162260 -0.0048791 -0.0373830 0.0329951 -2.4632999 10 O -2.8165593 0.6840144 0.0464138 0.6837671 -2.8162260 0.0048791 0.0373830 -0.0329951 -2.4632999 11 O -2.8162260 -0.6837671 0.0048791 -0.6840144 -2.8165593 -0.0464138 -0.0329951 -0.0373830 -2.4632999 12 O -2.8162260 -0.6837671 -0.0048791 -0.6840144 -2.8165593 0.0464138 0.0329951 0.0373830 -2.4632999 ---------------------------------------------------------------------------- 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: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 696 Number of blocks in projector: 696 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 146 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 92 Use standard eigh solver. Tree of FC basis block matrices: - (696, 682), data: False |-- (92, 89), data: True |-- (146, 143), data: True |-- (178, 174), data: True |-- (280, 276), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 0.541 Solver_block: 200 / 240 - Time: 0.542 Solver_block: 240 / 240 - Time: 0.274 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.371 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 696 Number of blocks in projector: 696 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 146 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 92 Use standard eigh solver. Tree of FC basis block matrices: - (696, 682), data: False |-- (92, 89), data: True |-- (146, 143), data: True |-- (178, 174), data: True |-- (280, 276), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:34:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:34:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.524113170000000 2.524113170000000 5.153327465000000 b 2.524113170000000 -2.524113170000000 5.153327465000000 c 2.524113170000000 2.524113170000000 -5.153327465000000 Atomic positions (fractional): 1 Hf 0.75000000000000 0.25000000000000 0.50000000000000 178.490 2 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 3 Zr 0.25000000000000 0.75000000000000 0.50000000000000 91.224 4 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 5 O 0.89723370413157 0.39687661714647 0.99648924423325 15.999 6 O 0.34961262708678 0.34925554010169 0.49648924423325 15.999 7 O 0.60312338285353 0.59961262708678 0.50035708698509 15.999 8 O 0.65074445989831 0.14723370413157 0.00035708698509 15.999 9 O 0.09925554010169 0.10276629586843 0.49964291301491 15.999 10 O 0.14687661714647 0.65038737291322 0.99964291301491 15.999 11 O 0.85276629586843 0.85312338285353 0.50351075576675 15.999 12 O 0.40038737291322 0.90074445989831 0.00351075576675 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.096452680000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.096452680000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.306654930000001 Atomic positions (fractional): 1 Hf 0.00000000000000 0.25000000000000 0.25000000000000 178.490 > 1 2 Hf 0.50000000000000 0.25000000000000 0.25000000000000 178.490 > 1 3 Hf 0.00000000000000 0.75000000000000 0.25000000000000 178.490 > 1 4 Hf 0.50000000000000 0.75000000000000 0.25000000000000 178.490 > 1 5 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 5 6 Hf 0.50000000000000 0.00000000000000 0.00000000000000 178.490 > 5 7 Hf 0.00000000000000 0.50000000000000 0.00000000000000 178.490 > 5 8 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 > 5 9 Hf 0.25000000000000 0.00000000000000 0.75000000000000 178.490 > 1 10 Hf 0.75000000000000 0.00000000000000 0.75000000000000 178.490 > 1 11 Hf 0.25000000000000 0.50000000000000 0.75000000000000 178.490 > 1 12 Hf 0.75000000000000 0.50000000000000 0.75000000000000 178.490 > 1 13 Hf 0.25000000000000 0.25000000000000 0.50000000000000 178.490 > 5 14 Hf 0.75000000000000 0.25000000000000 0.50000000000000 178.490 > 5 15 Hf 0.25000000000000 0.75000000000000 0.50000000000000 178.490 > 5 16 Hf 0.75000000000000 0.75000000000000 0.50000000000000 178.490 > 5 17 Zr 0.25000000000000 0.00000000000000 0.25000000000000 91.224 > 17 18 Zr 0.75000000000000 0.00000000000000 0.25000000000000 91.224 > 17 19 Zr 0.25000000000000 0.50000000000000 0.25000000000000 91.224 > 17 20 Zr 0.75000000000000 0.50000000000000 0.25000000000000 91.224 > 17 21 Zr 0.25000000000000 0.25000000000000 0.00000000000000 91.224 > 21 22 Zr 0.75000000000000 0.25000000000000 0.00000000000000 91.224 > 21 23 Zr 0.25000000000000 0.75000000000000 0.00000000000000 91.224 > 21 24 Zr 0.75000000000000 0.75000000000000 0.00000000000000 91.224 > 21 25 Zr 0.00000000000000 0.25000000000000 0.75000000000000 91.224 > 17 26 Zr 0.50000000000000 0.25000000000000 0.75000000000000 91.224 > 17 27 Zr 0.00000000000000 0.75000000000000 0.75000000000000 91.224 > 17 28 Zr 0.50000000000000 0.75000000000000 0.75000000000000 91.224 > 17 29 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 > 21 30 Zr 0.50000000000000 0.00000000000000 0.50000000000000 91.224 > 21 31 Zr 0.00000000000000 0.50000000000000 0.50000000000000 91.224 > 21 32 Zr 0.50000000000000 0.50000000000000 0.50000000000000 91.224 > 21 33 O 0.12403303931204 0.37421158280459 0.14881053852239 15.999 > 33 34 O 0.62403303931204 0.37421158280459 0.14881053852239 15.999 > 33 35 O 0.12403303931204 0.87421158280459 0.14881053852239 15.999 > 33 36 O 0.62403303931204 0.87421158280459 0.14881053852239 15.999 > 33 37 O 0.12403303931204 0.12421158280459 0.10118946147761 15.999 > 37 38 O 0.62403303931204 0.12421158280459 0.10118946147761 15.999 > 37 39 O 0.12403303931204 0.62421158280459 0.10118946147761 15.999 > 37 40 O 0.62403303931204 0.62421158280459 0.10118946147761 15.999 > 37 41 O 0.12421158280459 0.12596696068796 0.35118946147761 15.999 > 41 42 O 0.62421158280459 0.12596696068796 0.35118946147761 15.999 > 41 43 O 0.12421158280459 0.62596696068796 0.35118946147761 15.999 > 41 44 O 0.62421158280459 0.62596696068796 0.35118946147761 15.999 > 41 45 O 0.37421158280459 0.12596696068796 0.39881053852239 15.999 > 45 46 O 0.87421158280459 0.12596696068796 0.39881053852239 15.999 > 45 47 O 0.37421158280459 0.62596696068796 0.39881053852239 15.999 > 45 48 O 0.87421158280459 0.62596696068796 0.39881053852239 15.999 > 45 49 O 0.37578841719541 0.37403303931204 0.35118946147761 15.999 > 49 50 O 0.87578841719541 0.37403303931204 0.35118946147761 15.999 > 49 51 O 0.37578841719541 0.87403303931204 0.35118946147761 15.999 > 49 52 O 0.87578841719541 0.87403303931204 0.35118946147761 15.999 > 49 53 O 0.12578841719541 0.37403303931204 0.39881053852239 15.999 > 53 54 O 0.62578841719541 0.37403303931204 0.39881053852239 15.999 > 53 55 O 0.12578841719541 0.87403303931204 0.39881053852239 15.999 > 53 56 O 0.62578841719541 0.87403303931204 0.39881053852239 15.999 > 53 57 O 0.37596696068796 0.37578841719541 0.10118946147761 15.999 > 57 58 O 0.87596696068796 0.37578841719541 0.10118946147761 15.999 > 57 59 O 0.37596696068796 0.87578841719541 0.10118946147761 15.999 > 57 60 O 0.87596696068796 0.87578841719541 0.10118946147761 15.999 > 57 61 O 0.37596696068796 0.12578841719541 0.14881053852239 15.999 > 61 62 O 0.87596696068796 0.12578841719541 0.14881053852239 15.999 > 61 63 O 0.37596696068796 0.62578841719541 0.14881053852239 15.999 > 61 64 O 0.87596696068796 0.62578841719541 0.14881053852239 15.999 > 61 65 O 0.37403303931204 0.12421158280459 0.64881053852239 15.999 > 33 66 O 0.87403303931204 0.12421158280459 0.64881053852239 15.999 > 33 67 O 0.37403303931204 0.62421158280459 0.64881053852239 15.999 > 33 68 O 0.87403303931204 0.62421158280459 0.64881053852239 15.999 > 33 69 O 0.37403303931204 0.37421158280459 0.60118946147761 15.999 > 37 70 O 0.87403303931204 0.37421158280459 0.60118946147761 15.999 > 37 71 O 0.37403303931204 0.87421158280459 0.60118946147761 15.999 > 37 72 O 0.87403303931204 0.87421158280459 0.60118946147761 15.999 > 37 73 O 0.37421158280459 0.37596696068796 0.85118946147761 15.999 > 41 74 O 0.87421158280459 0.37596696068796 0.85118946147761 15.999 > 41 75 O 0.37421158280459 0.87596696068796 0.85118946147761 15.999 > 41 76 O 0.87421158280459 0.87596696068796 0.85118946147761 15.999 > 41 77 O 0.12421158280459 0.37596696068796 0.89881053852239 15.999 > 45 78 O 0.62421158280459 0.37596696068796 0.89881053852239 15.999 > 45 79 O 0.12421158280459 0.87596696068796 0.89881053852239 15.999 > 45 80 O 0.62421158280459 0.87596696068796 0.89881053852239 15.999 > 45 81 O 0.12578841719541 0.12403303931204 0.85118946147761 15.999 > 49 82 O 0.62578841719541 0.12403303931204 0.85118946147761 15.999 > 49 83 O 0.12578841719541 0.62403303931204 0.85118946147761 15.999 > 49 84 O 0.62578841719541 0.62403303931204 0.85118946147761 15.999 > 49 85 O 0.37578841719541 0.12403303931204 0.89881053852239 15.999 > 53 86 O 0.87578841719541 0.12403303931204 0.89881053852239 15.999 > 53 87 O 0.37578841719541 0.62403303931204 0.89881053852239 15.999 > 53 88 O 0.87578841719541 0.62403303931204 0.89881053852239 15.999 > 53 89 O 0.12596696068796 0.12578841719541 0.60118946147761 15.999 > 57 90 O 0.62596696068796 0.12578841719541 0.60118946147761 15.999 > 57 91 O 0.12596696068796 0.62578841719541 0.60118946147761 15.999 > 57 92 O 0.62596696068796 0.62578841719541 0.60118946147761 15.999 > 57 93 O 0.12596696068796 0.37578841719541 0.64881053852239 15.999 > 61 94 O 0.62596696068796 0.37578841719541 0.64881053852239 15.999 > 61 95 O 0.12596696068796 0.87578841719541 0.64881053852239 15.999 > 61 96 O 0.62596696068796 0.87578841719541 0.64881053852239 15.999 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5467778 0.0000056 0.0000000 -0.0000056 5.5467778 0.0000000 0.0000000 0.0000000 5.0077080 -------------------------- Born effective charges -------------------------- 1 Hf 5.6149494 -0.0330235 0.0000000 0.0330235 5.6149494 0.0000000 0.0000000 0.0000000 4.8516358 2 Hf 5.6149494 -0.0330235 0.0000000 0.0330235 5.6149494 0.0000000 0.0000000 0.0000000 4.8516358 3 Zr 5.6506212 0.0325291 0.0000000 -0.0325291 5.6506212 0.0000000 0.0000000 0.0000000 5.0015638 4 Zr 5.6506212 0.0325291 0.0000000 -0.0325291 5.6506212 0.0000000 0.0000000 0.0000000 5.0015638 5 O -2.8162260 -0.6837671 0.0048791 -0.6840144 -2.8165593 -0.0464138 -0.0329951 -0.0373830 -2.4632999 6 O -2.8162260 -0.6837671 -0.0048791 -0.6840144 -2.8165593 0.0464138 0.0329951 0.0373830 -2.4632999 7 O -2.8165593 0.6840144 0.0464138 0.6837671 -2.8162260 0.0048791 0.0373830 -0.0329951 -2.4632999 8 O -2.8165593 0.6840144 -0.0464138 0.6837671 -2.8162260 -0.0048791 -0.0373830 0.0329951 -2.4632999 9 O -2.8165593 0.6840144 -0.0464138 0.6837671 -2.8162260 -0.0048791 -0.0373830 0.0329951 -2.4632999 10 O -2.8165593 0.6840144 0.0464138 0.6837671 -2.8162260 0.0048791 0.0373830 -0.0329951 -2.4632999 11 O -2.8162260 -0.6837671 0.0048791 -0.6840144 -2.8165593 -0.0464138 -0.0329951 -0.0373830 -2.4632999 12 O -2.8162260 -0.6837671 -0.0048791 -0.6840144 -2.8165593 0.0464138 0.0329951 0.0373830 -2.4632999 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 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: -0.00000012 (zzz) -0.00000012 (zzz) -0.00000012 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xy) 0.00000001 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:34:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:34:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.524113170000000 2.524113170000000 5.153327465000000 b 2.524113170000000 -2.524113170000000 5.153327465000000 c 2.524113170000000 2.524113170000000 -5.153327465000000 Atomic positions (fractional): 1 Hf 0.75000000000000 0.25000000000000 0.50000000000000 178.490 2 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 3 Zr 0.25000000000000 0.75000000000000 0.50000000000000 91.224 4 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 5 O 0.89723370413157 0.39687661714647 0.99648924423325 15.999 6 O 0.34961262708678 0.34925554010169 0.49648924423325 15.999 7 O 0.60312338285353 0.59961262708678 0.50035708698509 15.999 8 O 0.65074445989831 0.14723370413157 0.00035708698509 15.999 9 O 0.09925554010169 0.10276629586843 0.49964291301491 15.999 10 O 0.14687661714647 0.65038737291322 0.99964291301491 15.999 11 O 0.85276629586843 0.85312338285353 0.50351075576675 15.999 12 O 0.40038737291322 0.90074445989831 0.00351075576675 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.096452680000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.096452680000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.306654930000001 Atomic positions (fractional): 1 Hf 0.00000000000000 0.25000000000000 0.25000000000000 178.490 > 1 2 Hf 0.50000000000000 0.25000000000000 0.25000000000000 178.490 > 1 3 Hf 0.00000000000000 0.75000000000000 0.25000000000000 178.490 > 1 4 Hf 0.50000000000000 0.75000000000000 0.25000000000000 178.490 > 1 5 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 5 6 Hf 0.50000000000000 0.00000000000000 0.00000000000000 178.490 > 5 7 Hf 0.00000000000000 0.50000000000000 0.00000000000000 178.490 > 5 8 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 > 5 9 Hf 0.25000000000000 0.00000000000000 0.75000000000000 178.490 > 1 10 Hf 0.75000000000000 0.00000000000000 0.75000000000000 178.490 > 1 11 Hf 0.25000000000000 0.50000000000000 0.75000000000000 178.490 > 1 12 Hf 0.75000000000000 0.50000000000000 0.75000000000000 178.490 > 1 13 Hf 0.25000000000000 0.25000000000000 0.50000000000000 178.490 > 5 14 Hf 0.75000000000000 0.25000000000000 0.50000000000000 178.490 > 5 15 Hf 0.25000000000000 0.75000000000000 0.50000000000000 178.490 > 5 16 Hf 0.75000000000000 0.75000000000000 0.50000000000000 178.490 > 5 17 Zr 0.25000000000000 0.00000000000000 0.25000000000000 91.224 > 17 18 Zr 0.75000000000000 0.00000000000000 0.25000000000000 91.224 > 17 19 Zr 0.25000000000000 0.50000000000000 0.25000000000000 91.224 > 17 20 Zr 0.75000000000000 0.50000000000000 0.25000000000000 91.224 > 17 21 Zr 0.25000000000000 0.25000000000000 0.00000000000000 91.224 > 21 22 Zr 0.75000000000000 0.25000000000000 0.00000000000000 91.224 > 21 23 Zr 0.25000000000000 0.75000000000000 0.00000000000000 91.224 > 21 24 Zr 0.75000000000000 0.75000000000000 0.00000000000000 91.224 > 21 25 Zr 0.00000000000000 0.25000000000000 0.75000000000000 91.224 > 17 26 Zr 0.50000000000000 0.25000000000000 0.75000000000000 91.224 > 17 27 Zr 0.00000000000000 0.75000000000000 0.75000000000000 91.224 > 17 28 Zr 0.50000000000000 0.75000000000000 0.75000000000000 91.224 > 17 29 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 > 21 30 Zr 0.50000000000000 0.00000000000000 0.50000000000000 91.224 > 21 31 Zr 0.00000000000000 0.50000000000000 0.50000000000000 91.224 > 21 32 Zr 0.50000000000000 0.50000000000000 0.50000000000000 91.224 > 21 33 O 0.12403303931204 0.37421158280459 0.14881053852239 15.999 > 33 34 O 0.62403303931204 0.37421158280459 0.14881053852239 15.999 > 33 35 O 0.12403303931204 0.87421158280459 0.14881053852239 15.999 > 33 36 O 0.62403303931204 0.87421158280459 0.14881053852239 15.999 > 33 37 O 0.12403303931204 0.12421158280459 0.10118946147761 15.999 > 37 38 O 0.62403303931204 0.12421158280459 0.10118946147761 15.999 > 37 39 O 0.12403303931204 0.62421158280459 0.10118946147761 15.999 > 37 40 O 0.62403303931204 0.62421158280459 0.10118946147761 15.999 > 37 41 O 0.12421158280459 0.12596696068796 0.35118946147761 15.999 > 41 42 O 0.62421158280459 0.12596696068796 0.35118946147761 15.999 > 41 43 O 0.12421158280459 0.62596696068796 0.35118946147761 15.999 > 41 44 O 0.62421158280459 0.62596696068796 0.35118946147761 15.999 > 41 45 O 0.37421158280459 0.12596696068796 0.39881053852239 15.999 > 45 46 O 0.87421158280459 0.12596696068796 0.39881053852239 15.999 > 45 47 O 0.37421158280459 0.62596696068796 0.39881053852239 15.999 > 45 48 O 0.87421158280459 0.62596696068796 0.39881053852239 15.999 > 45 49 O 0.37578841719541 0.37403303931204 0.35118946147761 15.999 > 49 50 O 0.87578841719541 0.37403303931204 0.35118946147761 15.999 > 49 51 O 0.37578841719541 0.87403303931204 0.35118946147761 15.999 > 49 52 O 0.87578841719541 0.87403303931204 0.35118946147761 15.999 > 49 53 O 0.12578841719541 0.37403303931204 0.39881053852239 15.999 > 53 54 O 0.62578841719541 0.37403303931204 0.39881053852239 15.999 > 53 55 O 0.12578841719541 0.87403303931204 0.39881053852239 15.999 > 53 56 O 0.62578841719541 0.87403303931204 0.39881053852239 15.999 > 53 57 O 0.37596696068796 0.37578841719541 0.10118946147761 15.999 > 57 58 O 0.87596696068796 0.37578841719541 0.10118946147761 15.999 > 57 59 O 0.37596696068796 0.87578841719541 0.10118946147761 15.999 > 57 60 O 0.87596696068796 0.87578841719541 0.10118946147761 15.999 > 57 61 O 0.37596696068796 0.12578841719541 0.14881053852239 15.999 > 61 62 O 0.87596696068796 0.12578841719541 0.14881053852239 15.999 > 61 63 O 0.37596696068796 0.62578841719541 0.14881053852239 15.999 > 61 64 O 0.87596696068796 0.62578841719541 0.14881053852239 15.999 > 61 65 O 0.37403303931204 0.12421158280459 0.64881053852239 15.999 > 33 66 O 0.87403303931204 0.12421158280459 0.64881053852239 15.999 > 33 67 O 0.37403303931204 0.62421158280459 0.64881053852239 15.999 > 33 68 O 0.87403303931204 0.62421158280459 0.64881053852239 15.999 > 33 69 O 0.37403303931204 0.37421158280459 0.60118946147761 15.999 > 37 70 O 0.87403303931204 0.37421158280459 0.60118946147761 15.999 > 37 71 O 0.37403303931204 0.87421158280459 0.60118946147761 15.999 > 37 72 O 0.87403303931204 0.87421158280459 0.60118946147761 15.999 > 37 73 O 0.37421158280459 0.37596696068796 0.85118946147761 15.999 > 41 74 O 0.87421158280459 0.37596696068796 0.85118946147761 15.999 > 41 75 O 0.37421158280459 0.87596696068796 0.85118946147761 15.999 > 41 76 O 0.87421158280459 0.87596696068796 0.85118946147761 15.999 > 41 77 O 0.12421158280459 0.37596696068796 0.89881053852239 15.999 > 45 78 O 0.62421158280459 0.37596696068796 0.89881053852239 15.999 > 45 79 O 0.12421158280459 0.87596696068796 0.89881053852239 15.999 > 45 80 O 0.62421158280459 0.87596696068796 0.89881053852239 15.999 > 45 81 O 0.12578841719541 0.12403303931204 0.85118946147761 15.999 > 49 82 O 0.62578841719541 0.12403303931204 0.85118946147761 15.999 > 49 83 O 0.12578841719541 0.62403303931204 0.85118946147761 15.999 > 49 84 O 0.62578841719541 0.62403303931204 0.85118946147761 15.999 > 49 85 O 0.37578841719541 0.12403303931204 0.89881053852239 15.999 > 53 86 O 0.87578841719541 0.12403303931204 0.89881053852239 15.999 > 53 87 O 0.37578841719541 0.62403303931204 0.89881053852239 15.999 > 53 88 O 0.87578841719541 0.62403303931204 0.89881053852239 15.999 > 53 89 O 0.12596696068796 0.12578841719541 0.60118946147761 15.999 > 57 90 O 0.62596696068796 0.12578841719541 0.60118946147761 15.999 > 57 91 O 0.12596696068796 0.62578841719541 0.60118946147761 15.999 > 57 92 O 0.62596696068796 0.62578841719541 0.60118946147761 15.999 > 57 93 O 0.12596696068796 0.37578841719541 0.64881053852239 15.999 > 61 94 O 0.62596696068796 0.37578841719541 0.64881053852239 15.999 > 61 95 O 0.12596696068796 0.87578841719541 0.64881053852239 15.999 > 61 96 O 0.62596696068796 0.87578841719541 0.64881053852239 15.999 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.5467778 0.0000056 0.0000000 -0.0000056 5.5467778 0.0000000 0.0000000 0.0000000 5.0077080 -------------------------- Born effective charges -------------------------- 1 Hf 5.6149494 -0.0330235 0.0000000 0.0330235 5.6149494 0.0000000 0.0000000 0.0000000 4.8516358 2 Hf 5.6149494 -0.0330235 0.0000000 0.0330235 5.6149494 0.0000000 0.0000000 0.0000000 4.8516358 3 Zr 5.6506212 0.0325291 0.0000000 -0.0325291 5.6506212 0.0000000 0.0000000 0.0000000 5.0015638 4 Zr 5.6506212 0.0325291 0.0000000 -0.0325291 5.6506212 0.0000000 0.0000000 0.0000000 5.0015638 5 O -2.8162260 -0.6837671 0.0048791 -0.6840144 -2.8165593 -0.0464138 -0.0329951 -0.0373830 -2.4632999 6 O -2.8162260 -0.6837671 -0.0048791 -0.6840144 -2.8165593 0.0464138 0.0329951 0.0373830 -2.4632999 7 O -2.8165593 0.6840144 0.0464138 0.6837671 -2.8162260 0.0048791 0.0373830 -0.0329951 -2.4632999 8 O -2.8165593 0.6840144 -0.0464138 0.6837671 -2.8162260 -0.0048791 -0.0373830 0.0329951 -2.4632999 9 O -2.8165593 0.6840144 -0.0464138 0.6837671 -2.8162260 -0.0048791 -0.0373830 0.0329951 -2.4632999 10 O -2.8165593 0.6840144 0.0464138 0.6837671 -2.8162260 0.0048791 0.0373830 -0.0329951 -2.4632999 11 O -2.8162260 -0.6837671 0.0048791 -0.6840144 -2.8165593 -0.0464138 -0.0329951 -0.0373830 -2.4632999 12 O -2.8162260 -0.6837671 -0.0048791 -0.6840144 -2.8165593 0.0464138 0.0329951 0.0373830 -2.4632999 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000012 (zzz) -0.00000012 (zzz) -0.00000012 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 5 10 20 ] Grid generation matrix: [ 0 10 10 ] [ 10 0 10 ] [ 5 5 0 ] 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: 0.82, Number of G-points: 297, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/156) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.565 ( 0.000 0.000 -0.000) 0.000 2.676 ( 0.000 0.000 0.000) 0.000 3.073 ( 0.000 0.000 -0.000) 0.000 3.073 ( 0.000 0.000 -0.000) 0.000 3.378 ( -0.000 0.000 0.000) 0.000 3.378 ( 0.000 -0.000 -0.000) 0.000 4.506 ( 0.000 -0.000 -0.000) 0.000 4.523 ( 0.000 0.000 -0.000) 0.000 6.565 ( 0.000 -0.000 -0.000) 0.000 6.565 ( 0.000 0.000 -0.000) 0.000 6.700 ( 0.000 0.000 0.000) 0.000 6.700 ( -0.000 0.000 -0.000) 0.000 8.009 ( 0.000 -0.000 -0.000) 0.000 8.600 ( 0.000 0.000 0.000) 0.000 8.622 ( 0.000 -0.000 0.000) 0.000 8.968 ( 0.000 -0.000 0.000) 0.000 9.841 ( 0.000 0.000 0.000) 0.000 13.393 ( 0.000 0.000 -0.000) 0.000 13.393 ( 0.000 -0.000 0.000) 0.000 13.522 ( -0.000 0.000 0.000) 0.000 13.522 ( 0.000 -0.000 0.000) 0.000 14.214 ( -0.000 0.000 -0.000) 0.000 14.214 ( 0.000 0.000 0.000) 0.000 14.264 ( -0.000 -0.000 -0.000) 0.000 14.264 ( 0.000 -0.000 0.000) 0.000 17.755 ( 0.000 0.000 -0.000) 0.000 18.295 ( -0.000 0.000 -0.000) 0.000 18.322 ( 0.000 0.000 0.000) 0.000 19.537 ( -0.000 0.000 0.000) 0.000 19.678 ( 0.000 0.000 0.000) 0.000 19.678 ( 0.000 0.000 0.000) 0.000 20.949 ( 0.000 0.000 0.000) 0.000 20.965 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/156) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 25.087 0.451 3.579) 25.345 1.438 ( 14.120 0.380 40.265) 42.671 2.652 ( 10.411 4.460 0.960) 11.366 2.799 ( 24.860 -0.632 -0.874) 24.883 2.904 ( 21.218 -3.706 8.975) 23.335 3.520 ( 8.914 -0.945 0.940) 9.013 3.842 ( 32.023 -5.633 2.274) 32.594 3.882 ( 22.324 6.279 -0.644) 23.199 5.379 ( 24.548 -4.289 -5.855) 25.598 5.474 ( 30.301 2.971 -4.153) 30.728 5.930 ( 7.541 1.885 -32.009) 32.939 6.363 ( 16.314 -4.722 -27.099) 31.981 6.688 ( 24.881 3.587 -12.373) 28.018 6.856 ( -2.200 -1.850 10.532) 10.917 7.100 ( 9.351 1.681 -3.283) 10.052 7.864 ( -2.578 -0.103 -6.377) 6.879 8.721 ( 5.223 1.940 -2.878) 6.271 8.931 ( 6.028 -1.686 -1.254) 6.384 9.078 ( 2.793 0.052 42.183) 42.276 10.598 ( -35.134 -0.250 67.857) 76.413 13.165 ( -7.402 3.103 -6.305) 10.206 13.180 ( -2.045 -3.792 -15.490) 16.078 13.357 ( -5.159 1.497 -34.563) 34.978 13.469 ( 1.019 -0.359 -40.422) 40.436 14.073 ( 15.738 0.967 4.885) 16.507 14.991 ( 0.338 -0.419 37.647) 37.651 15.095 ( 5.372 -0.018 38.248) 38.624 17.525 ( -5.843 -0.051 -11.739) 13.113 18.017 ( -10.692 -0.124 -9.350) 14.204 18.197 ( -2.112 -0.510 -0.982) 2.385 18.333 ( -31.411 -0.047 -1.481) 31.446 19.458 ( -9.791 -0.061 -1.013) 9.844 20.470 ( 14.473 -0.056 -0.148) 14.474 20.947 ( 1.085 0.136 -6.925) 7.011 21.007 ( 0.668 -0.462 1.504) 1.709 21.072 ( 12.274 0.625 -24.048) 27.007 ======================= Grid point 2 (3/156) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 15.023 -1.424 -2.559) 15.306 2.298 ( 3.180 4.493 7.951) 9.670 2.603 ( -5.391 -3.553 3.448) 7.320 3.002 ( 1.180 1.360 11.190) 11.334 3.991 ( 11.507 0.695 4.933) 12.539 4.292 ( 21.324 -6.864 5.784) 23.136 4.543 ( 0.586 3.153 -7.462) 8.122 5.066 ( 9.544 6.401 -1.743) 11.623 5.599 ( 5.664 -11.596 0.223) 12.907 5.774 ( 6.701 4.901 -13.762) 16.072 5.817 ( 14.044 3.277 -6.763) 15.928 6.766 ( 8.401 -2.284 -0.896) 8.751 6.841 ( -1.560 2.203 0.866) 2.835 6.937 ( -10.302 2.392 -2.958) 10.982 7.341 ( 2.017 -8.905 -4.022) 9.977 7.717 ( -4.478 5.168 -4.168) 8.008 9.687 ( 23.982 -0.442 -2.124) 24.080 9.962 ( 46.266 3.705 2.455) 46.479 10.278 ( 14.438 -2.210 41.668) 44.153 10.750 ( -5.633 -1.376 47.178) 47.533 12.096 ( -10.825 -0.206 -50.652) 51.797 12.347 ( -39.659 1.523 -2.894) 39.794 12.689 ( -7.159 2.156 -8.207) 11.102 12.818 ( -1.302 -2.752 -19.890) 20.122 14.980 ( 27.024 1.528 -5.952) 27.713 15.609 ( -5.424 -0.982 27.784) 28.325 16.062 ( 7.539 0.129 31.853) 32.734 16.880 ( -8.149 -0.732 -21.491) 22.996 17.276 ( -9.773 0.373 -13.220) 16.444 17.343 ( -15.506 -0.139 -1.526) 15.582 18.323 ( 7.421 -0.092 5.574) 9.282 18.915 ( -13.783 0.001 -5.077) 14.688 20.739 ( 0.237 -0.263 -5.297) 5.308 20.825 ( 2.812 0.351 -2.596) 3.843 21.043 ( -0.682 0.069 1.766) 1.895 21.124 ( 2.368 -0.093 -2.603) 3.521 ======================= Grid point 5 (4/156) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 17.503 17.576 0.000) 24.805 1.196 ( 24.579 23.775 -0.000) 34.196 1.797 ( 43.133 42.094 -0.000) 60.269 2.737 ( 8.525 9.543 0.000) 12.796 2.866 ( 9.437 8.421 -0.000) 12.648 3.368 ( -1.032 0.061 0.000) 1.034 3.590 ( 24.517 27.860 0.000) 37.111 3.719 ( 16.238 13.091 -0.000) 20.858 5.045 ( 22.535 21.657 -0.000) 31.255 5.056 ( 18.640 20.612 0.000) 27.791 6.233 ( -1.379 -2.924 -0.000) 3.233 6.594 ( -7.960 -0.033 0.000) 7.960 6.694 ( 7.804 8.244 0.000) 11.352 6.863 ( 11.284 7.017 -0.000) 13.288 7.488 ( 7.454 2.650 -0.000) 7.911 7.978 ( -2.483 -1.005 0.000) 2.678 8.637 ( 2.664 2.567 -0.000) 3.700 8.643 ( 2.047 1.254 -0.000) 2.400 8.942 ( -1.161 0.177 0.000) 1.174 9.777 ( -3.123 -3.000 0.000) 4.330 13.276 ( -5.900 -5.911 -0.000) 8.351 13.411 ( 0.580 0.608 0.000) 0.841 13.715 ( 10.074 7.745 -0.000) 12.707 14.078 ( -5.605 -7.139 -0.000) 9.077 14.144 ( -6.107 -3.445 0.000) 7.011 14.367 ( 6.555 8.037 0.000) 10.371 14.383 ( 8.024 6.460 -0.000) 10.302 17.697 ( -2.680 -2.775 -0.000) 3.858 18.220 ( -3.234 -4.018 -0.000) 5.158 18.248 ( -4.502 -2.636 0.000) 5.217 18.709 ( -24.220 -24.141 0.000) 34.196 19.574 ( -5.133 -5.102 0.000) 7.237 20.279 ( 13.168 13.248 0.000) 18.679 20.938 ( -0.808 -1.031 -0.000) 1.310 20.968 ( -0.364 -0.301 0.000) 0.472 21.398 ( -3.650 -3.920 -0.000) 5.356 ======================= Grid point 6 (5/156) ======================= q-point: ( 0.00 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 17.629 9.202 28.288) 34.578 1.957 ( 16.718 18.777 -0.062) 25.141 2.793 ( -6.443 17.401 1.485) 18.614 3.041 ( -2.972 18.573 7.828) 20.374 3.597 ( 9.168 -7.701 4.712) 12.867 3.676 ( 37.435 -2.735 -5.708) 37.966 4.399 ( 15.343 7.440 -3.505) 17.408 4.875 ( 24.275 21.068 2.001) 32.204 5.435 ( 9.632 -1.363 -3.123) 10.217 5.853 ( 10.584 -12.617 -19.164) 25.267 6.235 ( 6.774 22.092 -7.850) 24.404 6.675 ( 2.396 -4.774 10.456) 11.741 6.838 ( 3.439 18.539 -12.636) 22.698 7.300 ( 2.910 14.526 0.036) 14.814 7.511 ( -1.021 21.683 -3.655) 22.013 8.002 ( 13.376 14.581 -5.621) 20.570 9.103 ( 31.487 1.996 -4.359) 31.850 9.184 ( 19.865 3.552 11.491) 23.223 9.287 ( 15.636 6.383 28.574) 33.192 10.060 ( -14.108 -5.836 40.481) 43.265 12.790 ( -16.654 -10.498 -4.894) 20.286 13.116 ( -11.359 4.508 -14.994) 19.343 13.232 ( -9.482 0.129 -30.790) 32.217 13.423 ( 1.728 -6.488 -40.092) 40.650 14.597 ( 26.140 8.415 0.444) 27.464 15.065 ( 0.192 7.484 35.152) 35.940 15.270 ( 7.192 5.129 37.566) 38.590 17.364 ( -9.117 -1.495 -11.751) 14.948 17.626 ( -21.175 -12.995 -3.206) 25.050 17.767 ( -13.381 -1.813 -10.764) 17.268 18.128 ( 0.052 -3.103 3.352) 4.568 19.191 ( -13.143 -4.280 0.081) 13.823 20.699 ( 5.487 1.192 0.002) 5.615 20.873 ( -3.241 -4.681 -1.677) 5.936 20.960 ( -1.312 -4.097 3.541) 5.572 21.150 ( 3.631 -8.542 -15.079) 17.707 ======================= Grid point 7 (6/156) ======================= q-point: ( 0.00 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( -0.711 12.222 -1.409) 12.323 2.504 ( -1.847 11.290 0.913) 11.476 2.696 ( 3.657 13.485 3.612) 14.431 3.209 ( 1.277 13.867 9.124) 16.648 4.050 ( 6.764 -12.927 1.165) 14.636 4.294 ( -4.740 -14.940 -5.657) 16.664 4.589 ( 7.105 -0.930 5.009) 8.743 4.961 ( -11.106 -1.115 -2.006) 11.341 5.897 ( 3.449 15.765 0.099) 16.138 6.012 ( -4.636 12.804 -2.463) 13.838 6.098 ( 0.357 11.332 -5.675) 12.679 6.788 ( 0.934 9.013 2.431) 9.382 6.863 ( -9.461 11.677 -0.852) 15.053 7.024 ( 4.439 10.784 3.763) 12.253 7.561 ( -0.202 23.051 9.830) 25.060 7.833 ( -6.891 19.003 -4.293) 20.665 9.829 ( -13.066 2.621 23.328) 26.866 10.427 ( 18.355 -3.252 -20.074) 27.394 10.812 ( 15.892 1.996 47.552) 50.177 11.153 ( 24.429 -0.620 -0.223) 24.438 11.490 ( -16.580 -4.987 -2.071) 17.437 11.908 ( -7.188 -0.058 -57.258) 57.707 12.511 ( -14.962 3.066 10.541) 18.557 12.894 ( 7.284 3.509 -23.451) 24.805 15.276 ( -14.821 7.940 16.824) 23.786 15.754 ( 21.741 6.035 -5.985) 23.344 16.240 ( 6.328 3.387 32.114) 32.906 16.721 ( -6.458 -0.591 -17.558) 18.717 17.024 ( -5.059 -6.884 -0.187) 8.545 17.119 ( -2.365 -8.145 -9.107) 12.445 18.494 ( 10.685 -0.553 7.461) 13.043 18.603 ( -13.045 -4.593 -1.435) 13.905 20.627 ( -4.220 -6.544 1.582) 7.946 20.817 ( -0.900 -3.279 0.372) 3.420 20.982 ( 0.232 -4.855 1.328) 5.039 21.097 ( 2.701 -7.448 -6.406) 10.189 ======================= Grid point 8 (7/156) ======================= q-point: ( 0.00 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -14.750 17.314 0.968) 22.765 2.277 ( -7.488 11.274 -15.254) 20.393 2.834 ( -0.095 10.931 1.197) 10.997 3.159 ( -1.240 16.329 -9.376) 18.870 3.645 ( -13.689 -4.891 -3.236) 14.892 3.935 ( -24.097 3.476 -13.254) 27.721 4.239 ( -12.861 -1.369 0.181) 12.935 4.820 ( -14.704 13.390 5.027) 20.512 5.391 ( -26.444 2.547 9.064) 28.069 5.504 ( -14.771 -2.577 15.533) 21.589 6.012 ( 0.611 26.054 4.990) 26.535 6.612 ( -12.981 7.295 6.526) 16.258 6.912 ( -8.059 13.920 1.818) 16.187 7.149 ( -1.124 13.138 10.577) 16.904 7.619 ( -18.724 25.205 3.921) 31.642 7.711 ( -2.367 4.058 6.573) 8.080 8.920 ( -37.560 0.446 6.992) 38.208 9.223 ( -22.681 -0.491 3.866) 23.013 10.283 ( -3.354 7.467 -63.412) 63.938 11.038 ( 26.898 -8.368 -53.160) 60.162 12.318 ( 11.775 -0.727 41.734) 43.369 12.638 ( 4.629 -9.408 20.510) 23.035 12.707 ( 8.322 -7.625 18.549) 21.714 13.161 ( 9.334 10.278 1.464) 13.961 14.539 ( -20.747 8.555 1.409) 22.486 15.732 ( 0.057 5.733 -29.734) 30.281 15.936 ( -8.172 2.723 -30.180) 31.385 17.045 ( 7.108 -0.215 23.007) 24.080 17.494 ( 17.763 -10.378 8.799) 22.375 17.579 ( 18.747 -7.200 8.985) 22.001 18.156 ( -5.308 -5.304 1.069) 7.580 19.172 ( 13.326 -1.361 3.284) 13.792 20.630 ( -6.217 -4.488 17.175) 18.809 20.702 ( -7.308 0.237 3.018) 7.910 21.019 ( 1.449 -3.457 -2.605) 4.564 21.049 ( 0.927 -4.509 -5.120) 6.885 ======================= Grid point 9 (8/156) ======================= q-point: ( 0.00 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -22.256 22.887 -3.197) 32.084 1.279 ( -10.917 11.141 -40.896) 43.770 1.872 ( -36.830 37.790 -11.370) 53.980 2.767 ( -9.625 8.466 -3.005) 13.166 2.946 ( -8.456 9.366 -8.990) 15.494 3.375 ( -1.425 0.556 -0.719) 1.691 3.581 ( -27.160 23.587 0.967) 35.985 3.685 ( -12.648 16.243 3.154) 20.827 4.983 ( -17.036 18.325 7.788) 26.205 5.031 ( -20.841 17.363 2.900) 27.281 5.725 ( -30.784 33.492 45.081) 64.044 6.293 ( -11.165 -0.063 19.285) 22.284 6.428 ( -10.377 20.201 32.687) 39.802 6.950 ( -6.123 3.767 -4.711) 8.595 6.994 ( -5.906 8.603 -0.009) 10.435 7.899 ( 2.191 -2.440 5.903) 6.753 8.689 ( -0.186 1.459 1.416) 2.041 8.892 ( -0.023 -1.092 4.466) 4.597 9.068 ( -2.238 2.234 -42.813) 42.930 11.170 ( 39.687 -40.013 -85.663) 102.538 13.072 ( 1.873 -2.009 16.720) 16.944 13.332 ( -0.381 -0.036 11.633) 11.640 13.412 ( 3.897 -1.145 37.562) 37.781 13.435 ( 0.323 -1.896 32.301) 32.358 13.926 ( -5.923 6.740 -10.908) 14.124 15.020 ( -2.308 2.749 -36.736) 36.911 15.027 ( -3.027 2.270 -36.871) 37.064 17.585 ( 2.724 -2.661 11.635) 12.243 18.164 ( 3.850 -2.965 5.580) 7.399 18.188 ( 2.458 -4.325 5.961) 7.764 18.677 ( 24.717 -24.657 3.514) 35.089 19.576 ( 4.925 -4.928 -0.192) 6.970 20.275 ( -13.280 13.237 0.479) 18.757 20.718 ( -19.911 19.933 49.962) 57.359 20.980 ( 0.574 -0.516 -3.477) 3.561 21.006 ( 0.382 -0.140 -3.349) 3.374 ======================= Grid point 10 (9/156) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 20.207 19.882 -0.000) 28.348 1.908 ( 13.349 13.284 -0.000) 18.833 3.083 ( 19.785 11.044 -0.000) 22.658 3.202 ( 2.645 2.245 -0.000) 3.469 3.358 ( 18.076 32.166 0.000) 36.897 3.428 ( 7.368 7.953 0.000) 10.841 4.249 ( 13.082 2.041 -0.000) 13.241 5.022 ( 39.963 45.529 0.000) 60.580 5.288 ( -12.186 -3.174 0.000) 12.592 5.663 ( 10.151 2.457 -0.000) 10.444 6.379 ( 12.239 1.936 -0.000) 12.391 6.592 ( 0.713 9.518 0.000) 9.545 7.294 ( 11.333 18.948 0.000) 22.079 7.579 ( 19.179 35.113 0.000) 40.010 7.799 ( 24.011 2.027 -0.000) 24.096 7.923 ( 3.450 2.668 -0.000) 4.361 8.826 ( 13.499 3.890 -0.000) 14.048 8.875 ( 9.013 8.992 -0.000) 12.731 9.055 ( 4.474 13.537 0.000) 14.257 9.623 ( -5.061 -3.561 0.000) 6.188 12.921 ( -11.954 -12.257 -0.000) 17.122 13.392 ( -2.454 -2.235 0.000) 3.320 13.777 ( -6.554 -8.940 -0.000) 11.085 13.782 ( -6.645 -6.060 0.000) 8.994 14.357 ( 18.124 15.317 -0.000) 23.729 14.735 ( 9.092 11.731 0.000) 14.841 14.759 ( 11.115 11.160 0.000) 15.751 17.566 ( -3.863 -3.277 0.000) 5.066 17.758 ( -21.851 -22.411 -0.000) 31.301 18.034 ( -3.276 -8.561 -0.000) 9.167 18.057 ( -9.169 -2.513 0.000) 9.507 19.279 ( -9.972 -9.612 0.000) 13.850 20.655 ( 5.576 5.868 0.000) 8.095 20.834 ( -3.899 -5.815 -0.000) 7.001 20.890 ( -4.387 -3.606 0.000) 5.679 21.175 ( -7.263 -7.085 0.000) 10.147 ======================= Grid point 11 (10/156) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 13.062 8.797 3.914) 16.227 2.490 ( 15.799 10.032 13.568) 23.116 2.984 ( -12.683 16.626 -2.263) 21.034 3.243 ( -2.615 3.533 7.321) 8.539 3.670 ( 4.321 1.490 3.595) 5.815 4.001 ( 7.202 -14.988 -4.866) 17.326 4.464 ( -1.996 -12.030 -0.555) 12.207 5.040 ( 1.118 -0.751 1.359) 1.914 5.900 ( 11.145 6.979 -5.644) 14.310 6.419 ( 4.731 24.450 2.813) 25.062 6.686 ( 7.539 21.082 -9.268) 24.232 6.828 ( 11.573 17.035 0.439) 20.599 7.110 ( -0.712 11.092 0.855) 11.147 7.668 ( -12.188 33.970 -0.613) 36.096 7.855 ( 0.579 20.093 5.798) 20.921 8.644 ( -3.946 33.056 -7.987) 34.235 9.596 ( -9.225 1.500 24.582) 26.299 9.817 ( 18.888 17.731 31.204) 40.557 10.023 ( 48.083 -1.416 -1.986) 48.145 10.095 ( 42.460 -2.273 -4.525) 42.761 12.091 ( -30.768 -11.877 -3.040) 33.120 12.893 ( -22.106 3.707 2.780) 22.586 13.052 ( -3.818 -0.697 -44.482) 44.651 13.361 ( 6.406 -4.859 -33.094) 34.057 15.205 ( -1.977 13.611 24.692) 28.264 15.418 ( 27.819 11.860 3.170) 30.407 15.550 ( 7.078 8.453 33.190) 34.973 17.002 ( -9.391 -10.732 -7.818) 16.263 17.160 ( -14.926 -4.021 -5.795) 16.508 17.447 ( -12.846 -2.597 -9.690) 16.299 18.120 ( 8.428 -6.004 2.982) 10.769 18.755 ( -15.798 -11.035 1.036) 19.298 20.587 ( -7.926 -8.709 -0.059) 11.775 20.709 ( -1.959 -8.871 1.094) 9.150 20.841 ( 0.647 -4.487 0.988) 4.639 20.967 ( 1.772 -13.096 -7.107) 15.005 ======================= Grid point 12 (11/156) ======================= q-point: ( 0.00 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( -11.890 10.319 0.465) 15.750 2.741 ( 5.019 9.837 -3.676) 11.639 3.016 ( -0.333 13.941 4.758) 14.734 3.366 ( -2.164 -4.350 8.398) 9.702 3.795 ( -7.486 -13.321 -2.814) 15.538 3.951 ( 8.881 -8.859 -4.627) 13.370 4.590 ( -0.838 -3.530 8.302) 9.060 4.778 ( -10.754 4.032 -0.928) 11.523 5.909 ( -21.114 13.352 -2.166) 25.076 6.258 ( -5.837 22.977 7.000) 24.719 6.457 ( 2.267 13.127 -3.079) 13.673 6.822 ( -23.769 24.151 -0.575) 33.891 7.168 ( -0.869 10.263 5.978) 11.909 7.611 ( 4.580 42.689 5.596) 43.297 8.072 ( -1.736 26.684 6.343) 27.483 8.166 ( -8.524 30.087 1.869) 31.327 9.449 ( -21.389 -4.324 16.644) 27.444 9.912 ( -54.233 -2.263 -2.350) 54.331 11.191 ( 21.914 -8.535 -33.618) 41.028 11.262 ( 17.709 8.165 33.121) 38.435 11.833 ( 2.907 -0.532 -40.250) 40.359 11.918 ( 20.701 -7.315 -14.479) 26.300 12.218 ( -14.536 -2.759 17.425) 22.859 13.291 ( 14.722 11.350 -17.721) 25.682 15.131 ( -20.172 18.040 10.616) 29.070 16.253 ( 9.426 7.397 -16.230) 20.173 16.398 ( 1.667 1.128 26.643) 26.719 16.553 ( -2.396 -7.200 1.291) 7.697 16.803 ( -5.061 -12.500 -5.889) 14.716 17.056 ( 15.116 1.876 5.577) 16.221 18.155 ( -13.794 -12.343 1.375) 18.561 18.751 ( 17.177 -4.801 2.684) 18.036 20.360 ( -5.349 -8.676 7.101) 12.422 20.689 ( -1.109 -5.474 2.383) 6.073 20.904 ( 3.614 -6.581 -2.151) 7.810 20.978 ( 4.151 -9.927 -6.629) 12.638 ======================= Grid point 13 (12/156) ======================= q-point: ( 0.00 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -12.869 12.500 -0.614) 17.951 2.355 ( -10.436 12.467 -21.995) 27.351 3.072 ( -9.707 21.864 1.877) 23.996 3.209 ( -9.647 -0.256 1.038) 9.706 3.401 ( -8.617 2.391 -3.506) 9.605 3.784 ( -15.047 11.207 -20.340) 27.672 4.156 ( -3.408 11.611 1.968) 12.259 4.926 ( -16.131 4.890 9.726) 19.461 5.018 ( -23.829 40.147 3.636) 46.828 5.243 ( -10.293 4.685 14.055) 18.040 6.437 ( -20.850 8.237 7.960) 23.789 6.543 ( 2.200 18.112 0.615) 18.256 6.842 ( -30.167 14.557 8.232) 34.492 7.385 ( -25.543 21.946 10.200) 35.187 7.487 ( -20.897 34.131 11.853) 41.738 7.766 ( -10.163 5.051 5.732) 12.715 8.746 ( 0.263 11.684 5.460) 12.899 8.855 ( -9.749 -0.218 6.746) 11.857 10.335 ( -6.905 6.829 -64.377) 65.106 11.280 ( 23.662 -24.241 -54.554) 64.216 12.488 ( 1.691 -9.962 30.621) 32.245 12.527 ( 9.464 -0.019 34.783) 36.047 12.672 ( 6.889 -7.393 15.772) 18.731 13.354 ( -3.722 3.336 1.853) 5.331 14.483 ( -12.274 14.280 -5.554) 19.632 15.823 ( -6.308 3.552 -29.211) 30.095 15.845 ( -4.383 6.526 -29.083) 30.127 17.116 ( 3.466 -3.822 23.359) 23.922 17.502 ( 23.635 -23.698 13.634) 36.140 17.873 ( 1.930 -7.520 6.918) 10.399 17.901 ( 7.612 -2.612 7.093) 10.727 19.315 ( 9.056 -9.131 -1.600) 12.960 20.468 ( -3.630 3.311 22.352) 22.886 20.624 ( -5.013 5.111 1.558) 7.326 20.998 ( 3.495 -3.207 -5.143) 6.996 21.013 ( 3.945 -3.811 -5.186) 7.549 ======================= Grid point 15 (13/156) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 20.170 18.505 -0.000) 27.373 2.330 ( 8.438 8.361 -0.000) 11.879 3.125 ( -4.275 -3.278 0.000) 5.387 3.486 ( 8.473 4.531 -0.000) 9.609 3.809 ( 3.324 11.758 0.000) 12.218 3.835 ( -14.773 2.336 0.000) 14.957 4.092 ( -1.438 -23.736 -0.000) 23.779 5.017 ( -3.164 0.464 0.000) 3.198 5.942 ( 9.130 10.093 0.000) 13.609 6.580 ( 6.246 3.932 -0.000) 7.381 6.816 ( 44.665 42.457 -0.000) 61.624 6.856 ( 11.110 3.222 -0.000) 11.568 7.412 ( -6.842 5.477 0.000) 8.764 8.005 ( 3.715 4.366 0.000) 5.733 8.589 ( -3.578 38.792 0.000) 38.957 8.838 ( 53.678 -4.619 -0.000) 53.876 9.365 ( 7.282 28.807 0.000) 29.713 9.416 ( 36.878 0.728 -0.000) 36.885 9.497 ( -6.678 9.033 0.000) 11.233 9.740 ( 16.435 29.577 0.000) 33.837 12.308 ( -18.427 -19.459 -0.000) 26.799 13.154 ( -10.532 -10.295 0.000) 14.728 13.555 ( -1.857 -2.876 -0.000) 3.424 13.583 ( -2.225 -2.341 -0.000) 3.229 15.046 ( 18.299 8.769 -0.000) 20.292 15.128 ( 6.723 10.973 0.000) 12.869 15.301 ( 16.758 21.497 0.000) 27.257 17.052 ( -11.957 -12.634 -0.000) 17.396 17.418 ( -5.863 -2.395 0.000) 6.334 17.778 ( 2.220 -16.283 -0.000) 16.434 17.800 ( -15.501 1.411 0.000) 15.565 18.790 ( -15.246 -14.772 0.000) 21.228 20.546 ( -6.222 -11.690 -0.000) 13.243 20.615 ( -9.848 -5.803 0.000) 11.431 20.783 ( -0.422 -0.549 -0.000) 0.693 20.874 ( -7.859 -6.995 0.000) 10.521 ======================= Grid point 16 (14/156) ======================= q-point: ( 0.00 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 8.436 1.640 0.656) 8.619 2.868 ( -15.721 3.679 -2.672) 16.366 3.007 ( 9.156 6.061 9.134) 14.283 3.122 ( 0.622 -5.253 4.709) 7.082 3.520 ( -6.878 -16.124 -0.714) 17.544 3.788 ( 4.196 -7.803 -0.644) 8.883 4.318 ( 3.930 2.182 9.954) 10.922 4.928 ( -7.074 -6.737 2.189) 10.011 6.255 ( 4.366 10.453 3.599) 11.886 6.578 ( -7.515 9.786 -0.065) 12.339 6.912 ( -8.313 10.842 -7.119) 15.405 7.252 ( 4.720 6.576 -0.205) 8.097 8.080 ( -22.814 40.236 1.841) 46.290 8.128 ( 15.985 37.102 5.944) 40.834 8.397 ( 12.541 34.239 5.269) 36.842 9.154 ( -10.471 29.051 -8.052) 31.913 9.313 ( -12.767 -0.965 14.821) 19.585 10.567 ( 3.197 -6.842 -10.965) 13.314 10.684 ( 18.811 26.451 20.706) 38.500 10.843 ( 39.219 -14.151 2.679) 41.780 11.233 ( -17.654 -13.596 -6.953) 23.342 12.377 ( -27.922 -5.069 7.867) 29.449 13.094 ( 0.991 5.757 -44.017) 44.403 13.586 ( 18.367 2.283 -27.594) 33.227 15.384 ( -6.877 16.147 23.428) 29.273 15.780 ( 4.227 4.976 31.062) 31.741 16.304 ( 24.286 17.188 -2.224) 29.836 16.614 ( -26.808 -1.506 -1.610) 26.899 16.817 ( 0.843 -3.029 -4.125) 5.187 17.202 ( -8.027 -1.844 -9.159) 12.317 18.124 ( -15.921 -18.605 1.525) 24.535 18.192 ( 16.173 -14.797 0.131) 21.921 20.235 ( -8.150 -7.969 2.387) 11.646 20.473 ( 0.846 -10.384 2.515) 10.718 20.757 ( 1.151 -6.157 -1.753) 6.504 20.767 ( 4.103 -11.659 -4.359) 13.106 ======================= Grid point 17 (15/156) ======================= q-point: ( 0.00 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( -9.413 7.734 0.088) 12.183 2.992 ( -2.150 8.488 -5.832) 10.520 3.146 ( -0.414 -5.226 3.106) 6.093 3.282 ( 3.147 8.239 7.922) 11.855 3.447 ( -0.024 -9.380 1.243) 9.462 4.004 ( 3.099 -9.148 3.673) 10.334 4.478 ( -4.439 3.616 -8.407) 10.172 4.829 ( 4.382 7.497 7.168) 11.260 5.799 ( -22.363 19.029 -2.909) 29.507 6.433 ( -10.190 6.935 11.856) 17.102 6.668 ( -12.332 20.252 3.628) 23.987 6.770 ( -28.851 21.190 2.205) 35.864 7.238 ( -7.785 6.704 -0.235) 10.277 8.273 ( -22.778 21.695 -6.210) 32.064 8.595 ( -31.020 29.399 8.265) 43.530 8.606 ( -28.311 29.129 7.432) 41.295 8.910 ( -9.687 10.493 7.940) 16.340 8.987 ( -8.696 12.186 8.216) 17.077 11.308 ( 19.662 -21.241 -38.215) 47.939 11.728 ( -10.777 -6.543 6.978) 14.410 11.773 ( 9.890 7.806 20.826) 24.341 11.980 ( -3.772 2.822 -36.488) 36.791 12.012 ( 13.303 -11.808 5.781) 18.704 13.606 ( -0.316 -0.464 -19.017) 19.025 15.205 ( -19.184 21.496 -0.894) 28.825 16.228 ( 11.047 -10.761 24.991) 29.367 16.484 ( -0.685 5.214 -16.206) 17.038 16.513 ( -2.605 -0.368 8.835) 9.218 16.546 ( -1.449 -2.172 4.147) 4.900 17.574 ( 3.812 -5.063 4.340) 7.681 17.590 ( 5.188 -3.804 4.765) 8.006 18.894 ( 14.623 -14.624 -2.373) 20.817 20.188 ( 0.696 -1.382 9.919) 10.039 20.623 ( 2.588 -2.011 2.789) 4.303 20.877 ( 7.567 -6.670 -5.034) 11.273 20.910 ( 6.454 -7.178 -5.036) 10.888 ======================= Grid point 18 (16/156) ======================= q-point: ( 0.00 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -16.972 13.885 1.386) 21.972 2.339 ( -12.254 10.375 -15.909) 22.603 2.827 ( -13.756 -6.551 -1.755) 15.337 3.200 ( -14.832 4.415 -4.143) 16.020 3.590 ( 7.941 18.533 -3.265) 20.425 3.794 ( -0.312 15.840 -14.293) 21.337 4.348 ( -4.450 15.646 1.411) 16.328 4.911 ( -15.672 23.572 -1.625) 28.353 5.304 ( 2.765 8.562 10.832) 14.081 5.538 ( -0.066 24.407 11.194) 26.852 6.028 ( -24.338 2.492 13.028) 27.718 6.567 ( -20.423 15.797 12.308) 28.603 6.820 ( 4.295 2.223 -2.133) 5.286 7.257 ( -11.692 4.813 5.381) 13.741 7.436 ( -23.076 3.525 4.037) 23.690 7.859 ( -12.423 15.350 8.137) 21.358 8.967 ( -2.837 36.980 9.175) 38.206 9.196 ( 1.742 23.930 2.299) 24.103 10.282 ( -7.342 3.092 -63.186) 63.686 11.020 ( 9.155 -28.112 -53.619) 61.230 12.306 ( 1.520 -11.673 41.203) 42.851 12.677 ( 5.422 -4.427 23.225) 24.257 12.711 ( 10.807 -6.313 17.057) 21.156 13.138 ( -10.557 -11.121 0.913) 15.361 14.581 ( -9.945 21.488 2.278) 23.787 15.716 ( -5.014 -0.648 -30.594) 31.009 15.939 ( -2.925 8.277 -30.424) 31.665 17.033 ( 0.748 -7.912 22.667) 24.020 17.503 ( 10.699 -17.230 9.693) 22.479 17.565 ( 6.998 -18.581 8.711) 21.682 18.152 ( 5.285 5.136 0.744) 7.407 19.170 ( 1.477 -13.385 3.063) 13.811 20.622 ( 3.898 6.617 17.918) 19.495 20.705 ( 0.364 7.024 2.619) 7.505 21.027 ( 3.135 -1.179 -3.551) 4.881 21.050 ( 4.658 -1.265 -4.245) 6.428 ======================= Grid point 19 (17/156) ======================= q-point: ( 0.00 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 8.595 15.544 -26.630) 32.010 1.970 ( 18.995 17.758 -0.114) 26.003 2.823 ( 15.269 -0.176 -1.710) 15.366 2.968 ( 19.798 -3.315 -7.504) 21.430 3.594 ( -7.770 8.888 -2.518) 12.071 3.857 ( 3.251 38.462 2.360) 38.671 4.243 ( -0.433 12.004 0.315) 12.016 4.886 ( 25.684 22.025 1.894) 33.888 5.602 ( -6.562 13.593 12.312) 19.478 5.793 ( -8.109 14.505 11.767) 20.361 6.080 ( 16.899 -2.815 1.463) 17.194 6.639 ( -0.845 -3.804 -2.708) 4.745 7.036 ( 24.538 9.615 10.513) 28.374 7.260 ( 17.307 -1.256 1.834) 17.449 7.682 ( 26.521 21.124 2.198) 33.977 7.809 ( 2.375 -1.963 3.134) 4.395 8.983 ( -1.578 26.772 -1.232) 26.846 9.237 ( 3.559 14.805 -26.514) 30.575 9.320 ( 8.255 22.566 -8.664) 25.543 10.095 ( -4.159 -11.328 -39.357) 41.166 12.778 ( -10.331 -17.672 4.452) 20.949 13.146 ( 6.311 -13.948 3.919) 15.803 13.184 ( -3.451 -5.689 44.518) 45.012 13.437 ( -5.374 1.056 37.095) 37.497 14.529 ( 6.284 22.915 -2.890) 23.937 15.114 ( 9.101 3.360 -31.877) 33.321 15.268 ( 5.007 7.194 -37.769) 38.773 17.382 ( -0.763 -7.940 12.019) 14.425 17.615 ( -12.753 -20.560 3.445) 24.438 17.772 ( -2.418 -14.800 9.919) 17.980 18.139 ( -2.840 -0.244 -2.819) 4.009 19.196 ( -4.061 -13.132 0.030) 13.746 20.703 ( 1.081 5.802 0.462) 5.920 20.849 ( -5.321 -4.303 -0.035) 6.843 20.967 ( -3.990 -1.168 -2.878) 5.056 21.154 ( -8.211 4.277 15.475) 18.033 ======================= Grid point 20 (18/156) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 5.249 5.357 0.000) 7.500 2.809 ( 13.738 6.117 -0.000) 15.038 2.958 ( -5.432 -3.122 0.000) 6.266 3.255 ( -21.055 -11.172 0.000) 23.835 3.450 ( -9.319 -11.563 -0.000) 14.851 3.620 ( -0.180 0.294 0.000) 0.344 4.154 ( 8.814 5.698 -0.000) 10.495 4.897 ( -8.485 -6.333 0.000) 10.588 6.325 ( 7.154 10.285 0.000) 12.528 6.681 ( 3.012 -1.843 -0.000) 3.531 7.126 ( 13.310 -1.275 -0.000) 13.371 7.363 ( -8.185 7.398 0.000) 11.033 8.233 ( 7.932 7.787 -0.000) 11.115 8.580 ( 42.966 40.469 -0.000) 59.024 8.840 ( -9.582 3.936 0.000) 10.359 9.549 ( 43.192 -17.048 -0.000) 46.435 9.658 ( -13.257 29.806 0.000) 32.621 10.143 ( 0.045 31.253 0.000) 31.253 10.159 ( 26.029 -2.153 -0.000) 26.118 10.697 ( 21.729 27.566 0.000) 35.100 11.410 ( -24.898 -27.792 -0.000) 37.314 12.556 ( -19.181 -19.436 -0.000) 27.307 13.626 ( 1.724 8.393 0.000) 8.568 13.642 ( 8.183 0.862 -0.000) 8.228 15.406 ( 9.913 2.520 -0.000) 10.229 15.416 ( 2.674 8.623 0.000) 9.028 16.220 ( 24.433 25.566 0.000) 35.363 16.810 ( 0.833 -1.830 -0.000) 2.011 17.208 ( -12.344 -1.050 0.000) 12.389 17.484 ( 11.307 -25.740 -0.000) 28.114 17.509 ( -21.795 7.455 0.000) 23.035 18.089 ( -20.390 -20.125 0.000) 28.649 20.225 ( -1.619 -10.353 -0.000) 10.478 20.294 ( -11.205 -2.914 0.000) 11.577 20.635 ( -4.085 -3.867 0.000) 5.625 20.702 ( -3.120 -3.300 -0.000) 4.541 ======================= Grid point 21 (19/156) ======================= q-point: ( 0.00 -0.80 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( -7.484 4.621 0.617) 8.818 2.901 ( 0.814 -7.595 2.430) 8.016 2.952 ( 10.987 0.554 1.707) 11.132 3.108 ( 4.973 -8.156 0.832) 9.589 3.441 ( 0.926 6.721 -0.347) 6.794 3.682 ( 0.917 -7.956 6.063) 10.044 4.545 ( -3.950 -3.591 4.080) 6.720 4.658 ( 7.046 3.872 8.945) 12.027 6.449 ( -4.589 9.111 1.833) 10.365 6.547 ( -10.389 4.495 2.785) 11.657 6.880 ( -11.959 6.417 -1.102) 13.617 7.416 ( 1.315 3.465 -3.360) 5.002 8.247 ( -31.364 30.187 4.111) 43.725 8.733 ( 9.550 13.411 12.305) 20.554 8.889 ( -21.021 -1.843 10.022) 23.360 9.411 ( -20.763 21.475 -11.655) 32.064 9.664 ( -49.828 -13.998 -2.127) 51.800 9.743 ( 13.343 53.149 -1.015) 54.808 11.031 ( 24.882 -24.351 2.928) 34.938 11.080 ( 16.383 -21.065 -16.198) 31.217 11.609 ( 10.682 25.630 13.661) 30.946 11.624 ( -25.192 -9.439 12.625) 29.717 13.185 ( -3.486 3.439 -41.287) 41.576 13.888 ( 12.401 -12.797 -30.216) 35.079 15.553 ( -6.972 6.327 27.611) 29.172 15.878 ( -1.147 1.141 29.893) 29.937 16.131 ( -24.851 25.400 -0.338) 35.536 16.832 ( -0.665 3.206 -7.851) 8.507 16.897 ( -3.781 2.385 -7.384) 8.632 17.358 ( 3.536 -5.545 0.457) 6.593 17.363 ( 5.390 -3.898 0.839) 6.704 18.218 ( 21.324 -21.326 -1.275) 30.185 20.044 ( -1.696 0.022 3.872) 4.228 20.395 ( 6.742 -4.929 2.877) 8.833 20.685 ( 5.629 -6.433 -3.530) 9.248 20.697 ( 6.934 -6.439 -3.190) 9.986 ======================= Grid point 22 (20/156) ======================= q-point: ( 0.00 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( -10.624 9.253 2.657) 14.337 2.880 ( -8.121 -8.450 0.935) 11.758 2.978 ( -14.020 4.508 -1.904) 14.850 3.486 ( -0.695 5.384 8.899) 10.424 3.646 ( 10.397 4.286 -10.753) 15.559 3.863 ( 14.966 -4.930 6.607) 17.086 4.551 ( 0.939 4.011 -0.340) 4.134 5.091 ( 5.145 3.593 -2.991) 6.952 5.804 ( -16.793 22.378 -0.785) 27.989 6.171 ( -18.700 -0.901 9.789) 21.126 6.479 ( -22.258 1.539 1.297) 22.349 6.780 ( -20.731 24.890 4.911) 32.763 7.171 ( -13.344 8.449 -1.628) 15.878 7.565 ( -41.576 -8.728 5.665) 42.858 8.103 ( -29.715 11.635 -4.800) 32.271 8.196 ( -25.714 -2.212 11.743) 28.355 9.410 ( 4.698 21.410 16.413) 27.383 10.022 ( 1.057 61.069 1.209) 61.090 11.090 ( 7.913 -29.729 -35.796) 47.199 11.244 ( -7.455 -17.765 32.318) 37.624 11.833 ( -0.459 -1.578 -42.934) 42.965 11.962 ( 8.759 -20.724 -10.094) 24.660 12.245 ( 3.178 14.540 17.139) 22.699 13.269 ( -11.716 -14.784 -18.416) 26.363 15.162 ( -18.409 18.805 12.733) 29.234 16.242 ( -7.749 -9.126 -15.070) 19.247 16.399 ( -1.432 -3.461 25.371) 25.646 16.649 ( 5.035 6.513 -11.909) 14.477 16.691 ( 15.817 3.330 4.379) 16.746 17.064 ( -1.982 -14.856 6.356) 16.279 18.152 ( 12.163 13.706 1.454) 18.382 18.751 ( 4.876 -17.241 2.510) 18.092 20.340 ( 8.624 4.984 8.132) 12.859 20.699 ( 4.771 1.336 2.033) 5.356 20.936 ( 6.827 -3.781 -2.603) 8.227 20.959 ( 10.463 -3.879 -6.701) 13.016 ======================= Grid point 24 (21/156) ======================= q-point: ( 0.00 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 14.656 10.206 -13.412) 22.335 2.458 ( 3.692 12.265 -1.325) 12.877 3.121 ( 14.307 -3.494 1.590) 14.813 3.291 ( 8.767 0.814 -7.336) 11.460 3.581 ( 0.205 -2.175 -3.976) 4.537 4.127 ( -18.212 -0.692 6.089) 19.215 4.355 ( -9.874 9.002 -3.778) 13.885 5.110 ( -3.244 3.767 4.502) 6.707 5.952 ( 7.566 12.339 3.434) 14.876 6.311 ( 17.585 -6.110 -0.090) 18.616 6.554 ( 14.456 -3.311 3.645) 15.271 6.691 ( 34.709 24.840 -3.969) 42.866 7.401 ( 8.919 -3.089 4.141) 10.307 7.731 ( 35.475 -12.890 0.085) 37.745 7.909 ( 16.499 3.367 -3.081) 17.119 8.544 ( 36.278 -2.580 5.204) 36.740 9.389 ( -4.719 6.392 -19.413) 20.976 9.779 ( 15.996 20.770 -28.785) 38.934 10.121 ( 4.215 36.624 5.426) 37.263 10.240 ( -1.318 39.633 -5.856) 40.084 12.049 ( -11.577 -33.461 2.598) 35.502 12.891 ( 3.031 -21.726 -1.338) 21.978 13.041 ( -0.603 -2.689 44.706) 44.790 13.368 ( -4.773 5.195 30.855) 31.652 15.062 ( 13.573 6.323 -17.861) 23.307 15.508 ( 9.492 11.427 -21.346) 26.006 15.579 ( 10.954 15.440 -21.042) 28.305 16.999 ( -12.184 -9.544 6.089) 16.632 17.274 ( -0.388 -7.095 9.918) 12.201 17.361 ( -4.853 -20.071 7.074) 21.827 18.124 ( -6.025 8.041 -2.696) 10.403 18.761 ( -10.893 -16.085 -0.975) 19.451 20.531 ( -10.525 -7.970 -0.453) 13.210 20.734 ( -5.882 -2.180 -1.702) 6.500 20.846 ( -5.571 1.256 -0.685) 5.751 20.983 ( -13.322 1.666 7.759) 15.506 ======================= Grid point 25 (22/156) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( -3.551 -4.908 -0.000) 6.058 2.779 ( 3.551 4.908 0.000) 6.058 2.863 ( -6.245 2.763 0.000) 6.829 2.863 ( 6.245 -2.763 -0.000) 6.829 3.507 ( -4.320 -6.940 -0.000) 8.175 3.507 ( 4.320 6.940 0.000) 8.175 4.503 ( -11.435 -9.639 0.000) 14.955 4.503 ( 11.435 9.639 -0.000) 14.955 6.597 ( -2.721 -6.788 -0.000) 7.313 6.597 ( 2.721 6.788 0.000) 7.313 7.305 ( -10.964 5.197 0.000) 12.134 7.305 ( 10.964 -5.197 -0.000) 12.134 8.582 ( -10.601 -6.881 0.000) 12.638 8.582 ( 10.601 6.881 -0.000) 12.638 9.851 ( 33.037 -30.528 -0.000) 44.982 9.851 ( -33.037 30.528 0.000) 44.982 10.059 ( -27.331 -29.250 -0.000) 40.032 10.059 ( 27.331 29.250 0.000) 40.032 10.495 ( 11.994 -26.581 -0.000) 29.162 10.495 ( -11.994 26.581 0.000) 29.162 11.680 ( -23.638 -24.795 -0.000) 34.257 11.680 ( 23.638 24.795 0.000) 34.257 13.773 ( 7.216 -7.472 -0.000) 10.387 13.773 ( -7.216 7.472 0.000) 10.387 15.544 ( 3.685 -3.569 -0.000) 5.130 15.544 ( -3.685 3.569 0.000) 5.130 16.935 ( -11.427 -0.325 0.000) 11.432 16.935 ( 11.427 0.325 -0.000) 11.432 17.204 ( -23.355 -24.539 -0.000) 33.877 17.204 ( 23.355 24.539 0.000) 33.877 17.323 ( 20.917 -19.794 -0.000) 28.798 17.323 ( -20.917 19.794 0.000) 28.798 20.125 ( 6.142 -4.090 -0.000) 7.379 20.125 ( -6.142 4.090 0.000) 7.379 20.590 ( -1.517 -1.543 -0.000) 2.164 20.590 ( 1.517 1.543 0.000) 2.164 ======================= Grid point 27 (23/156) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( -8.648 6.116 3.813) 11.258 2.713 ( -1.624 -9.941 1.544) 10.191 3.223 ( 15.814 -3.176 2.341) 16.299 3.252 ( -2.506 5.172 0.722) 5.792 3.432 ( 4.215 1.195 3.646) 5.700 3.731 ( 9.015 5.052 -3.224) 10.825 4.314 ( 0.510 -6.860 11.287) 13.219 5.022 ( 10.372 3.664 1.263) 11.073 6.328 ( -11.866 -3.533 2.817) 12.697 6.454 ( -10.722 6.679 0.698) 12.652 6.702 ( -15.788 4.823 -2.951) 16.770 7.452 ( -2.808 2.245 -3.486) 5.008 8.055 ( -33.052 9.210 5.321) 34.721 8.172 ( -51.289 -8.950 0.842) 52.071 8.456 ( -30.749 -3.427 4.671) 31.290 9.027 ( -16.130 10.368 5.086) 19.838 9.273 ( -8.165 7.110 2.984) 11.230 10.618 ( -18.281 -24.198 13.567) 33.224 10.817 ( 8.833 -27.682 -4.066) 29.340 10.929 ( 1.755 -23.586 -1.547) 23.702 11.035 ( 14.200 34.259 -1.646) 37.122 12.378 ( 5.554 27.502 7.926) 29.155 13.093 ( -5.695 -1.111 -44.138) 44.518 13.576 ( -2.433 -18.140 -27.034) 32.647 15.348 ( -17.050 4.837 22.859) 28.925 15.773 ( -5.378 -4.172 30.565) 31.314 16.339 ( -16.241 -24.596 -1.460) 29.510 16.599 ( 4.704 22.413 -1.070) 22.926 16.925 ( 0.958 7.580 -4.466) 8.850 17.125 ( 1.291 6.070 -9.463) 11.316 18.129 ( 18.783 17.629 1.391) 25.798 18.189 ( 14.596 -17.690 0.140) 22.935 20.179 ( 7.606 6.750 3.056) 10.619 20.523 ( 9.846 0.332 2.611) 10.191 20.761 ( 7.234 -2.105 -1.897) 7.769 20.763 ( 11.453 -3.157 -4.837) 12.827 ======================= Grid point 28 (24/156) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( -10.359 4.140 3.602) 11.723 2.532 ( -10.522 -8.713 -2.062) 13.816 2.725 ( -16.573 3.286 0.959) 16.923 3.219 ( -14.891 -3.061 7.470) 16.939 4.024 ( 14.622 -3.225 6.254) 16.227 4.263 ( 15.420 4.597 -6.496) 17.352 4.638 ( -0.291 0.244 2.935) 2.960 5.053 ( -0.209 -6.411 -12.215) 13.797 5.829 ( -16.600 4.769 4.714) 17.903 6.015 ( -7.568 15.966 1.221) 17.711 6.042 ( -11.351 -9.273 -1.982) 14.790 6.744 ( -11.089 -15.043 5.983) 19.623 6.860 ( -11.384 13.855 0.541) 17.941 7.064 ( -13.295 7.172 0.346) 15.110 7.690 ( -27.440 6.450 -2.392) 28.289 7.742 ( -13.200 -2.413 3.540) 13.878 9.797 ( -0.640 12.402 23.430) 26.517 10.492 ( -0.119 -30.476 -23.555) 38.518 10.801 ( -1.789 -15.100 47.194) 49.583 11.146 ( 1.150 6.543 1.360) 6.781 11.460 ( 6.174 -3.524 0.814) 7.155 11.913 ( -0.197 7.310 -56.816) 57.285 12.519 ( -3.184 13.186 9.925) 16.808 12.892 ( -3.413 -5.197 -23.519) 24.327 15.252 ( -6.925 10.561 18.106) 22.075 15.771 ( -6.760 -18.211 -6.408) 20.455 16.236 ( -3.089 -6.528 30.894) 31.727 16.760 ( -2.454 6.753 -20.148) 21.391 17.034 ( 7.914 5.046 -0.396) 9.394 17.082 ( 9.460 2.608 -6.241) 11.629 18.491 ( 0.657 -9.794 7.602) 12.416 18.604 ( 4.522 12.388 -1.333) 13.255 20.615 ( 7.301 4.567 2.521) 8.973 20.813 ( 2.943 0.924 0.866) 3.204 21.000 ( 4.185 -1.050 0.354) 4.329 21.095 ( 7.734 -2.390 -6.874) 10.619 ======================= Grid point 51 (25/156) ======================= q-point: ( 0.05 -0.05 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( -22.061 0.046 0.000) 22.061 0.592 ( -29.227 -1.006 0.000) 29.245 1.477 ( -72.740 -0.048 0.000) 72.740 2.636 ( -4.694 -0.064 0.000) 4.695 2.743 ( -4.157 -0.349 0.000) 4.171 3.272 ( -19.915 1.586 0.000) 19.979 3.408 ( -3.299 1.066 0.000) 3.467 3.535 ( -14.678 -1.672 0.000) 14.773 4.815 ( -29.545 -0.034 0.000) 29.545 4.838 ( -28.899 0.209 0.000) 28.899 6.336 ( -3.275 2.977 0.000) 4.426 6.550 ( 0.863 -2.410 -0.000) 2.560 6.672 ( 2.683 6.842 0.000) 7.349 6.741 ( -4.526 -6.009 -0.000) 7.523 7.348 ( 3.884 -2.171 -0.000) 4.450 7.982 ( 2.482 0.661 -0.000) 2.569 8.612 ( -1.338 -0.036 0.000) 1.338 8.630 ( -1.188 -0.181 0.000) 1.202 8.948 ( 1.620 0.459 -0.000) 1.684 9.809 ( 3.071 0.029 -0.000) 3.071 13.351 ( 4.196 0.006 -0.000) 4.196 13.383 ( 1.365 0.001 -0.000) 1.365 13.629 ( -10.578 -1.078 0.000) 10.633 14.203 ( 1.044 -3.995 -0.000) 4.130 14.233 ( -1.848 3.978 0.000) 4.386 14.239 ( -0.805 5.630 0.000) 5.687 14.273 ( -1.322 -5.189 -0.000) 5.355 17.725 ( 3.007 -0.080 -0.000) 3.008 18.256 ( 3.810 -0.193 -0.000) 3.815 18.281 ( 3.996 0.813 -0.000) 4.077 18.991 ( 32.363 0.026 -0.000) 32.363 19.620 ( 5.624 -0.014 -0.000) 5.624 20.114 ( -21.650 0.036 0.000) 21.650 20.947 ( 0.243 -0.053 -0.000) 0.249 20.971 ( -0.475 0.013 0.000) 0.475 21.470 ( 0.167 -0.159 -0.000) 0.231 ======================= Grid point 52 (26/156) ======================= q-point: ( 0.05 0.15 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 24.163 0.714 9.104) 25.831 1.172 ( 19.096 0.046 35.204) 40.049 1.584 ( 54.665 0.040 21.026) 58.569 2.657 ( 4.207 0.016 2.579) 4.935 2.832 ( 4.911 0.322 9.403) 10.613 3.234 ( 19.377 -1.086 -3.208) 19.671 3.441 ( 5.594 -1.805 2.580) 6.419 3.509 ( 14.828 2.281 -2.486) 15.207 4.797 ( 27.089 -0.080 -1.543) 27.133 4.829 ( 29.680 -1.619 -2.725) 29.849 5.160 ( 83.804 1.255 -73.394) 111.406 6.201 ( 0.626 -2.032 -24.186) 24.279 6.319 ( 12.153 2.276 -24.079) 27.068 6.890 ( -1.223 -0.762 8.346) 8.470 6.945 ( 4.850 0.718 4.041) 6.354 7.923 ( -2.547 -0.063 -6.152) 6.658 8.683 ( 0.179 0.305 -1.941) 1.973 8.903 ( -0.986 -0.273 -4.430) 4.546 9.046 ( 0.760 0.001 43.201) 43.208 11.709 ( -84.876 -0.222 89.688) 123.483 13.135 ( 4.330 -0.244 -18.464) 18.967 13.286 ( -6.137 0.299 -4.704) 7.739 13.430 ( -2.553 0.470 -35.304) 35.400 13.458 ( 0.147 -0.172 -37.341) 37.342 13.873 ( 5.377 0.335 11.649) 12.834 14.985 ( 0.232 0.153 36.910) 36.911 15.011 ( 2.902 -0.271 36.979) 37.094 17.613 ( -3.003 0.052 -11.723) 12.101 18.183 ( -5.691 -0.078 -6.893) 8.939 18.234 ( -1.559 -0.424 -5.026) 5.279 18.977 ( -32.466 0.017 -1.399) 32.496 19.610 ( -5.138 0.043 -1.853) 5.462 20.110 ( 21.818 -0.043 -0.467) 21.823 20.399 ( 60.173 0.096 -63.368) 87.386 20.987 ( -0.220 0.021 3.846) 3.852 21.009 ( 0.408 0.053 3.626) 3.649 ======================= Grid point 53 (27/156) ======================= q-point: ( 0.05 0.35 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 19.299 -0.470 0.623) 19.315 2.187 ( 7.707 2.408 12.390) 14.789 2.709 ( -4.260 -2.128 4.233) 6.371 2.987 ( 1.456 2.789 7.909) 8.512 3.686 ( 22.927 -0.901 3.108) 23.154 3.853 ( 18.126 -4.640 12.187) 22.330 4.343 ( 19.860 0.769 0.092) 19.875 4.612 ( 32.199 4.335 6.016) 33.042 5.524 ( 5.087 -2.696 -16.832) 17.789 5.533 ( 12.169 -4.565 -10.088) 16.453 5.643 ( 8.508 7.544 -16.867) 20.342 6.387 ( 25.876 -5.102 -11.580) 28.804 6.910 ( -2.359 1.093 -0.432) 2.635 7.061 ( 2.069 8.202 -3.976) 9.347 7.230 ( 11.319 -10.300 -3.478) 15.694 7.722 ( 5.422 3.315 -7.974) 10.196 8.925 ( 38.401 1.215 -8.567) 39.364 9.220 ( 21.945 -0.691 -1.698) 22.022 10.209 ( 1.628 -0.030 64.356) 64.377 11.119 ( -29.071 -0.484 55.487) 62.643 12.326 ( -11.923 -0.228 -42.373) 44.020 12.721 ( -0.728 0.461 -31.358) 31.370 12.915 ( -11.707 11.200 -4.466) 16.806 12.943 ( -11.463 -11.175 -5.940) 17.075 14.465 ( 21.937 1.226 -3.607) 22.265 15.668 ( -0.622 -0.446 31.268) 31.278 15.907 ( 7.911 0.062 30.949) 31.945 17.043 ( -7.871 -0.320 -23.246) 24.545 17.530 ( -14.744 0.036 -12.760) 19.499 17.739 ( -24.346 -0.187 -1.679) 24.405 18.204 ( 4.635 -0.159 -0.134) 4.639 19.175 ( -12.157 -0.019 -6.544) 13.806 20.662 ( 7.931 -0.623 -11.000) 13.576 20.711 ( 9.545 0.415 -10.318) 14.063 21.056 ( -0.632 0.247 2.751) 2.834 21.097 ( 0.268 0.061 4.359) 4.368 ======================= Grid point 54 (28/156) ======================= q-point: ( 0.05 -0.45 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 3.884 -1.567 -1.366) 4.405 2.342 ( -3.561 1.404 -1.313) 4.047 2.557 ( -2.127 0.335 -0.451) 2.200 3.043 ( -2.703 0.204 -6.960) 7.469 4.175 ( -5.704 -0.674 -6.662) 8.796 4.438 ( 6.659 -1.001 7.301) 9.932 4.614 ( -6.912 1.481 -2.363) 7.453 5.044 ( 4.822 3.687 8.467) 10.418 5.663 ( 1.644 -3.194 -1.977) 4.100 5.889 ( 0.388 1.077 4.831) 4.964 5.958 ( 3.409 -1.591 -2.337) 4.429 6.722 ( -0.300 -4.335 -2.414) 4.971 6.757 ( 4.034 1.517 -0.670) 4.361 6.923 ( 1.640 0.243 -3.946) 4.280 7.316 ( 4.362 4.670 -3.593) 7.332 7.630 ( 2.764 -1.866 -0.240) 3.344 9.791 ( 10.245 -0.700 -21.630) 23.943 10.473 ( -24.372 1.582 20.940) 32.171 10.797 ( -15.038 -0.394 -48.172) 50.466 11.154 ( -7.830 -0.072 -0.721) 7.864 11.531 ( 6.148 -0.892 0.410) 6.226 11.917 ( 6.913 0.088 57.521) 57.935 12.481 ( 11.502 0.317 -10.085) 15.301 12.857 ( -3.016 -0.067 24.428) 24.614 15.189 ( 13.901 -0.675 -18.344) 23.026 15.699 ( -20.842 0.491 6.787) 21.925 16.203 ( -6.791 -0.079 -32.459) 33.161 16.728 ( 7.284 0.769 20.247) 21.531 17.101 ( 7.604 0.473 -0.479) 7.634 17.207 ( -2.110 -0.894 8.962) 9.250 18.490 ( -8.251 -0.091 -10.271) 13.175 18.646 ( 11.934 -0.002 2.223) 12.140 20.694 ( 4.228 -0.244 -1.855) 4.623 20.844 ( 0.842 -0.256 -0.624) 1.079 21.037 ( -0.287 0.514 -1.280) 1.409 21.174 ( -2.409 -0.002 7.376) 7.759 ======================= Grid point 55 (29/156) ======================= q-point: ( 0.05 -0.25 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -22.708 0.240 -0.474) 22.714 1.751 ( -16.843 -1.203 -28.754) 33.346 2.630 ( 3.919 2.322 -3.168) 5.549 2.780 ( 4.319 -3.263 -9.023) 10.522 3.699 ( -9.269 0.096 -3.363) 9.860 3.825 ( -39.817 4.649 11.552) 41.719 4.317 ( -21.476 -2.342 -2.664) 21.767 4.519 ( -32.940 -1.788 -3.432) 33.166 5.641 ( -2.918 15.395 3.944) 16.158 5.837 ( -5.950 -16.036 12.108) 20.956 6.032 ( -7.786 -0.010 21.637) 22.996 6.628 ( -8.766 2.928 11.404) 14.678 6.798 ( 3.049 -1.033 -10.475) 10.959 7.089 ( -5.074 -2.011 1.149) 5.578 7.277 ( -9.276 6.516 -0.522) 11.348 7.853 ( -0.227 -3.823 4.895) 6.215 9.029 ( -27.324 -3.461 -0.889) 27.557 9.178 ( -12.056 1.895 -30.804) 33.134 9.241 ( -25.075 0.628 -4.934) 25.563 10.129 ( 13.612 0.886 -41.721) 43.894 12.967 ( 13.891 -7.316 3.680) 16.125 12.988 ( 17.975 7.551 4.235) 19.952 13.234 ( 6.169 -1.041 45.093) 45.525 13.497 ( -1.708 0.271 42.938) 42.973 14.491 ( -24.847 -2.071 -1.483) 24.977 15.000 ( -1.004 1.488 -36.322) 36.367 15.215 ( -6.492 -0.067 -40.022) 40.545 17.383 ( 8.460 0.494 12.026) 14.711 17.756 ( 20.001 -0.818 4.764) 20.577 17.798 ( 16.610 0.697 9.128) 18.966 18.158 ( 1.507 0.385 -5.016) 5.251 19.232 ( 12.824 0.120 0.729) 12.846 20.687 ( -7.527 0.196 -0.152) 7.531 20.913 ( 2.979 -0.726 0.374) 3.089 21.004 ( 0.568 0.230 -3.001) 3.063 21.243 ( -5.284 0.057 18.344) 19.090 ======================= Grid point 57 (30/156) ======================= q-point: ( 0.05 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 14.943 9.804 38.057) 42.044 1.610 ( 18.095 22.155 1.461) 28.643 2.796 ( 47.235 10.448 -0.951) 48.386 2.864 ( 0.371 16.468 2.019) 16.595 3.073 ( 2.867 15.378 9.119) 18.107 3.438 ( 6.325 -4.753 3.014) 8.467 4.036 ( 20.150 14.680 -4.612) 25.353 4.222 ( 35.974 29.893 1.487) 46.796 5.286 ( 9.146 -4.732 -6.465) 12.159 5.489 ( 25.333 -0.979 -13.852) 28.889 6.137 ( 6.008 17.907 -14.066) 23.550 6.461 ( 19.313 6.917 -4.983) 21.111 6.725 ( 7.579 10.933 -16.996) 21.584 7.109 ( 12.571 16.230 -0.074) 20.530 7.289 ( 19.240 19.362 -12.388) 29.976 7.843 ( -1.545 -1.654 -5.362) 5.820 8.776 ( 8.245 3.348 -2.498) 9.243 8.899 ( 4.264 -0.945 -2.052) 4.825 9.135 ( 4.664 5.797 41.516) 42.177 10.480 ( -27.971 -10.835 62.825) 69.619 13.009 ( -6.211 -8.339 -11.032) 15.160 13.266 ( -5.583 1.385 -24.254) 24.926 13.383 ( -4.232 1.696 -19.326) 19.856 13.404 ( 0.232 -5.742 -39.738) 40.152 14.159 ( 17.095 7.728 5.367) 19.513 15.050 ( 1.268 5.943 36.245) 36.751 15.131 ( 6.555 3.512 36.759) 37.504 17.506 ( -5.409 -1.814 -11.601) 12.928 18.005 ( -11.408 -0.977 -8.244) 14.109 18.110 ( -16.331 -13.734 -4.304) 21.768 18.169 ( -12.697 -9.008 -1.156) 15.611 19.423 ( -10.022 -3.984 0.149) 10.786 20.530 ( 11.260 5.390 -0.300) 12.487 20.917 ( -0.089 -2.935 -8.365) 8.865 20.980 ( -0.417 -2.177 1.686) 2.785 21.049 ( 6.237 -2.651 -16.739) 18.058 ======================= Grid point 58 (31/156) ======================= q-point: ( 0.05 0.35 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 10.436 12.710 -3.506) 16.815 2.516 ( 6.094 14.948 10.020) 18.999 2.687 ( -5.952 11.128 2.375) 12.841 3.209 ( -0.861 16.150 10.613) 19.344 3.871 ( 10.859 -12.639 0.966) 16.691 4.163 ( 16.941 -7.478 4.639) 19.090 4.519 ( 2.232 -1.624 -4.443) 5.230 5.098 ( -1.391 -2.497 0.482) 2.898 5.608 ( 19.791 9.028 -3.637) 22.055 5.996 ( 16.717 17.182 -3.576) 24.238 6.030 ( -0.895 17.897 -12.643) 21.930 6.733 ( 1.245 -0.129 -2.654) 2.934 6.890 ( 7.186 9.240 1.300) 11.777 7.142 ( -12.525 14.948 -3.644) 19.839 7.524 ( 4.166 21.546 1.858) 22.024 7.943 ( -3.148 18.521 -7.589) 20.262 9.707 ( 26.528 2.168 -7.343) 27.611 10.027 ( 54.318 2.301 0.651) 54.371 10.301 ( 0.683 4.370 42.639) 42.868 10.670 ( -2.812 -5.716 49.735) 50.141 12.079 ( -11.118 -1.380 -47.802) 49.098 12.258 ( -32.954 -8.262 -5.330) 34.390 12.755 ( 3.047 -0.899 -29.970) 30.138 12.842 ( -14.769 8.241 3.903) 17.357 15.084 ( 26.687 8.776 -6.371) 28.806 15.653 ( -5.724 5.308 28.103) 29.167 16.100 ( 7.750 3.417 31.345) 32.469 16.866 ( -8.318 -1.018 -19.775) 21.477 17.208 ( -12.638 -12.146 -4.818) 18.179 17.257 ( -11.570 -1.894 -12.758) 17.327 18.290 ( 8.767 -3.574 4.024) 10.287 18.890 ( -14.672 -2.987 -3.107) 15.292 20.677 ( -0.404 -5.811 -7.163) 9.233 20.800 ( 2.660 -2.792 -1.822) 4.265 20.999 ( -1.576 -4.555 2.877) 5.613 21.051 ( 1.530 -6.784 -1.584) 7.132 ======================= Grid point 59 (32/156) ======================= q-point: ( 0.05 -0.45 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -9.551 12.400 1.419) 15.716 2.394 ( -4.893 11.690 -8.046) 15.012 2.789 ( 3.242 14.103 0.009) 14.471 3.175 ( -1.200 16.060 -10.920) 19.458 3.877 ( -10.095 -10.744 -7.033) 16.334 4.316 ( -3.900 -14.906 7.946) 17.336 4.444 ( -15.536 6.114 -6.998) 18.103 4.977 ( -3.618 -2.764 10.320) 11.280 5.755 ( -15.800 3.297 5.230) 16.967 5.888 ( -4.623 16.587 3.982) 17.674 6.036 ( -11.681 22.911 2.474) 25.836 6.623 ( 4.243 -4.225 -5.347) 8.027 7.065 ( 3.285 12.707 4.082) 13.745 7.108 ( -1.121 21.791 5.066) 22.400 7.724 ( 0.565 7.306 0.416) 7.340 7.753 ( -0.250 27.579 8.078) 28.738 9.720 ( -25.907 2.291 1.593) 26.057 9.895 ( -41.201 -3.017 -1.144) 41.327 10.385 ( -14.689 8.707 -43.282) 46.529 10.715 ( 1.855 -4.613 -43.531) 43.814 12.092 ( 10.701 -0.153 49.345) 50.492 12.210 ( 34.722 -10.201 3.480) 36.357 12.687 ( 0.560 -0.202 21.787) 21.795 12.919 ( 11.035 7.309 4.479) 13.974 15.027 ( -25.588 6.353 3.124) 26.549 15.689 ( 4.084 6.867 -25.041) 26.285 16.095 ( -7.676 3.168 -30.722) 31.824 16.897 ( 7.368 0.724 20.839) 22.116 17.199 ( 11.544 -10.988 6.562) 17.236 17.254 ( 13.630 -3.897 9.799) 17.233 18.293 ( -8.598 -3.529 -4.112) 10.163 18.891 ( 14.788 -2.882 3.196) 15.401 20.675 ( 1.020 -6.661 5.849) 8.923 20.799 ( -2.586 -2.073 1.550) 3.659 20.996 ( 0.661 -4.603 -1.119) 4.783 21.053 ( -1.430 -6.775 1.300) 7.045 ======================= Grid point 60 (33/156) ======================= q-point: ( 0.05 -0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -14.187 9.587 -37.567) 41.285 1.608 ( -18.489 22.802 -1.450) 29.392 2.652 ( -25.998 12.217 -0.586) 28.731 2.987 ( -6.987 16.833 -2.687) 18.422 3.110 ( -20.649 14.964 -7.957) 26.714 3.453 ( -6.718 -5.435 -2.510) 8.998 3.965 ( -15.123 11.347 2.873) 19.123 4.259 ( -37.088 31.937 -0.187) 48.944 5.340 ( -15.611 -6.080 14.452) 22.125 5.473 ( -19.598 -0.383 7.837) 21.111 6.056 ( -6.695 16.309 8.967) 19.779 6.571 ( -11.387 1.025 10.795) 15.724 6.740 ( -19.188 20.752 18.436) 33.744 7.129 ( -16.714 20.338 0.750) 26.336 7.206 ( -12.404 13.439 7.741) 19.859 7.849 ( 2.428 -1.252 5.453) 6.099 8.710 ( -3.699 1.363 2.228) 4.528 8.954 ( -7.855 0.574 2.215) 8.181 9.136 ( -4.795 6.019 -41.059) 41.774 10.487 ( 27.421 -10.725 -62.671) 69.243 13.009 ( 6.486 -8.258 10.236) 14.665 13.291 ( 4.703 1.029 30.415) 30.794 13.321 ( 4.828 -0.865 20.987) 21.552 13.431 ( 0.103 -2.810 32.013) 32.136 14.134 ( -15.463 7.586 -5.265) 18.011 15.063 ( -2.326 6.322 -35.763) 36.392 15.130 ( -6.444 3.257 -36.858) 37.559 17.508 ( 5.020 -1.711 11.620) 12.773 17.998 ( 12.402 -2.835 7.603) 14.821 18.142 ( 25.485 -15.456 3.780) 30.044 18.160 ( 2.293 -5.640 2.555) 6.603 19.425 ( 9.836 -3.925 -0.066) 10.590 20.531 ( -11.347 5.355 0.425) 12.554 20.913 ( 1.034 -3.093 6.276) 7.073 20.990 ( 0.933 -2.427 -3.178) 4.106 21.038 ( -7.349 -2.218 20.026) 21.447 ======================= Grid point 61 (34/156) ======================= q-point: ( 0.05 -0.05 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 13.696 22.738 0.000) 26.544 1.594 ( 24.261 19.488 -0.000) 31.119 2.647 ( 11.893 25.434 0.000) 28.077 2.957 ( 17.333 0.065 -0.000) 17.333 3.045 ( 14.753 31.755 0.000) 35.015 3.430 ( -5.973 5.753 0.000) 8.293 4.000 ( 11.017 14.411 0.000) 18.140 4.256 ( 33.515 36.564 0.000) 49.600 5.504 ( 4.493 19.670 0.000) 20.177 5.530 ( -3.861 23.166 0.000) 23.486 6.166 ( 0.568 -4.244 -0.000) 4.282 6.643 ( -4.473 1.803 0.000) 4.823 6.933 ( 18.594 15.691 -0.000) 24.330 7.138 ( 22.133 24.537 0.000) 33.044 7.430 ( 17.900 -6.824 -0.000) 19.157 7.920 ( -0.791 -4.200 -0.000) 4.274 8.698 ( 1.732 5.415 0.000) 5.685 8.713 ( 5.686 5.236 -0.000) 7.730 8.992 ( 2.631 6.957 0.000) 7.438 9.706 ( -2.991 -3.541 -0.000) 4.635 13.115 ( -7.951 -10.817 -0.000) 13.425 13.374 ( 3.417 -5.244 -0.000) 6.259 13.884 ( -1.663 5.758 0.000) 5.994 13.951 ( -10.793 -5.517 0.000) 12.122 14.177 ( -1.710 9.764 0.000) 9.913 14.520 ( 12.734 7.476 -0.000) 14.766 14.522 ( 12.115 7.435 -0.000) 14.215 17.621 ( -1.793 -4.854 -0.000) 5.175 18.083 ( -5.621 -12.123 -0.000) 13.363 18.174 ( -2.565 -4.624 -0.000) 5.288 18.181 ( -14.540 -24.689 -0.000) 28.653 19.423 ( -4.496 -9.808 -0.000) 10.789 20.535 ( 5.606 11.347 0.000) 12.656 20.903 ( -2.844 -2.528 0.000) 3.806 20.957 ( -2.222 -0.914 0.000) 2.402 21.349 ( -9.309 -1.386 0.000) 9.411 ======================= Grid point 62 (35/156) ======================= q-point: ( 0.05 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 16.841 14.002 22.986) 31.749 2.194 ( 14.547 7.392 2.864) 16.567 3.162 ( -4.591 10.718 -1.667) 11.778 3.277 ( -0.321 7.067 4.927) 8.621 3.588 ( 6.197 9.172 1.171) 11.131 3.763 ( 15.800 7.420 0.603) 17.466 4.417 ( 6.904 -8.619 -3.516) 11.590 5.032 ( -2.166 -1.759 -0.752) 2.890 5.676 ( 11.092 6.080 -12.842) 18.025 5.909 ( 39.204 36.815 0.283) 53.781 6.607 ( 0.450 8.351 -1.921) 8.581 6.663 ( 9.016 7.648 3.558) 12.347 7.188 ( -3.509 12.750 -8.312) 15.619 7.760 ( 4.405 28.202 -2.391) 28.644 7.855 ( -1.003 20.250 -0.084) 20.275 8.488 ( 30.569 29.756 -8.130) 43.428 9.103 ( 23.889 -0.200 -1.221) 23.921 9.274 ( 31.934 4.358 -4.052) 32.484 9.539 ( 12.950 17.912 35.043) 41.432 9.919 ( -13.561 -7.280 36.689) 39.787 12.563 ( -17.617 -12.848 -5.786) 22.559 13.123 ( -6.009 -1.403 -36.120) 36.644 13.253 ( -5.017 -3.256 -19.697) 20.585 13.294 ( -4.962 -2.835 -18.896) 19.741 14.822 ( 25.925 14.279 0.761) 29.607 15.259 ( 1.454 11.163 30.796) 32.789 15.396 ( 8.516 7.097 32.627) 34.459 17.256 ( -15.832 -13.975 -9.594) 23.194 17.383 ( -8.887 -5.065 -7.777) 12.849 17.738 ( -15.198 -0.647 -7.381) 16.908 18.013 ( 2.652 -9.082 -0.084) 9.462 19.052 ( -13.835 -9.874 1.173) 17.037 20.714 ( -0.424 -0.572 0.045) 0.713 20.736 ( -4.266 -8.742 -3.426) 10.313 20.853 ( -2.336 -5.840 3.594) 7.244 20.959 ( -0.888 -9.383 -8.562) 12.733 ======================= Grid point 63 (36/156) ======================= q-point: ( 0.05 0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 5.311 11.734 -2.510) 13.122 2.694 ( -9.092 7.784 -0.470) 11.978 2.978 ( 4.912 13.095 6.867) 15.581 3.407 ( -2.135 0.136 12.439) 12.622 3.783 ( 7.584 -8.661 -5.519) 12.766 3.910 ( -3.736 -21.370 -5.591) 22.402 4.559 ( 2.785 -2.426 9.469) 10.164 4.982 ( -7.781 0.926 -0.832) 7.880 6.136 ( 8.371 9.227 3.011) 12.817 6.310 ( -7.903 15.004 -1.173) 16.999 6.414 ( -2.922 18.771 -11.375) 22.142 7.127 ( 5.011 14.420 5.466) 16.215 7.308 ( -21.092 34.342 -1.970) 40.350 7.362 ( 17.089 31.186 2.948) 35.683 8.074 ( 2.035 27.202 11.476) 29.593 8.337 ( -7.399 29.200 -9.347) 31.540 9.852 ( -19.030 -1.469 27.566) 33.529 10.342 ( 16.877 -5.423 -22.563) 28.694 10.931 ( 15.427 11.344 43.994) 47.980 11.095 ( 36.316 -5.982 1.043) 36.820 11.338 ( -25.673 -10.270 -4.607) 28.032 11.962 ( -6.856 6.551 -54.106) 54.931 12.581 ( -20.910 3.290 11.916) 24.291 12.981 ( 14.938 4.672 -22.769) 27.629 15.493 ( -12.833 13.717 14.897) 23.974 15.935 ( 20.319 12.119 -4.651) 24.112 16.321 ( 5.995 4.184 30.579) 31.440 16.663 ( -7.924 -5.720 -8.228) 12.775 16.856 ( 0.172 -8.828 -4.197) 9.777 16.985 ( -8.680 -3.531 -11.924) 15.166 18.426 ( 14.810 -7.240 2.672) 16.700 18.451 ( -15.432 -11.054 0.302) 18.985 20.461 ( -4.549 -9.442 1.500) 10.587 20.705 ( -0.722 -7.978 1.275) 8.111 20.856 ( 1.232 -7.513 -1.030) 7.682 20.909 ( 2.410 -10.577 -3.720) 11.469 ======================= Grid point 64 (37/156) ======================= q-point: ( 0.05 -0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( -13.027 8.303 0.038) 15.448 2.529 ( -7.231 12.752 -18.466) 23.577 3.132 ( 1.784 15.061 4.159) 15.727 3.315 ( -5.058 -3.781 -2.036) 6.635 3.640 ( -8.410 5.145 0.201) 9.861 4.018 ( -2.895 4.288 -6.416) 8.242 4.227 ( -10.796 -1.980 -5.412) 12.237 4.918 ( 0.035 -0.013 10.769) 10.769 5.526 ( -17.677 8.605 7.247) 20.953 5.871 ( -41.439 39.033 3.023) 57.008 6.473 ( 3.941 18.036 -0.787) 18.478 6.660 ( -2.889 1.447 3.696) 4.909 7.217 ( -9.429 7.711 7.100) 14.099 7.672 ( -8.528 37.843 8.286) 39.667 7.889 ( -8.937 20.215 0.037) 22.103 8.235 ( -22.328 32.779 8.765) 40.618 8.932 ( -31.421 0.864 4.409) 31.741 9.200 ( -24.692 -1.687 8.161) 26.060 10.489 ( -8.530 12.084 -59.433) 61.246 10.815 ( 21.723 -12.862 -47.817) 54.072 12.319 ( 10.671 1.236 39.690) 41.118 12.405 ( 11.904 -12.437 11.499) 20.703 12.572 ( -0.336 -7.150 29.993) 30.835 13.329 ( 7.504 5.683 -3.894) 10.187 14.791 ( -19.456 16.503 -1.289) 25.545 15.879 ( -0.916 8.568 -27.478) 28.797 16.000 ( -8.816 3.269 -28.418) 29.933 16.995 ( 9.600 -9.302 19.461) 23.609 17.145 ( 10.722 -13.387 16.312) 23.670 17.578 ( 18.076 2.659 8.577) 20.183 17.985 ( -6.870 -12.099 3.107) 14.256 19.080 ( 14.088 -8.339 -0.981) 16.400 20.515 ( -0.977 -6.309 14.856) 16.169 20.703 ( -2.732 -0.609 2.620) 3.834 20.923 ( 3.748 -6.103 -3.276) 7.876 20.934 ( 3.586 -6.487 -5.492) 9.225 ======================= Grid point 66 (38/156) ======================= q-point: ( 0.05 -0.05 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 17.786 20.776 0.000) 27.350 2.188 ( 6.302 14.277 0.000) 15.606 3.198 ( 19.452 1.228 -0.000) 19.490 3.206 ( 0.791 -0.370 -0.000) 0.873 3.554 ( 13.962 2.604 -0.000) 14.202 3.973 ( 2.100 27.506 0.000) 27.586 4.205 ( -5.602 -3.903 0.000) 6.827 5.187 ( -10.221 -4.759 0.000) 11.274 5.789 ( 5.055 9.749 0.000) 10.982 5.928 ( 36.509 41.972 0.000) 55.629 6.398 ( 13.545 -1.016 -0.000) 13.583 6.675 ( 6.458 -0.784 -0.000) 6.505 7.498 ( 1.633 1.762 0.000) 2.403 7.858 ( 34.166 2.441 -0.000) 34.253 7.900 ( 15.036 -4.251 -0.000) 15.626 8.359 ( 30.019 32.811 0.000) 44.471 8.943 ( 5.676 11.142 0.000) 12.504 9.109 ( 16.153 15.124 -0.000) 22.128 9.484 ( 9.409 30.392 0.000) 31.816 9.622 ( -5.083 7.284 0.000) 8.882 12.606 ( -12.386 -20.312 -0.000) 23.790 13.247 ( 0.491 -13.202 -0.000) 13.211 13.650 ( -7.881 -3.594 0.000) 8.662 13.703 ( -9.440 -1.848 0.000) 9.619 14.684 ( 15.865 14.163 -0.000) 21.267 14.937 ( 12.270 8.504 -0.000) 14.929 15.015 ( 13.875 17.050 0.000) 21.982 17.343 ( -16.273 -18.185 -0.000) 24.403 17.487 ( -1.819 -4.845 -0.000) 5.176 17.798 ( -3.694 -15.243 -0.000) 15.684 18.028 ( -7.048 0.149 0.000) 7.049 19.047 ( -10.364 -13.607 -0.000) 17.104 20.692 ( -7.953 -8.140 -0.000) 11.380 20.735 ( -0.330 1.439 0.000) 1.476 20.829 ( -5.898 -1.622 0.000) 6.117 21.084 ( -12.699 -2.340 0.000) 12.913 ======================= Grid point 67 (39/156) ======================= q-point: ( 0.05 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 9.299 4.049 0.281) 10.146 2.733 ( 16.175 12.664 14.760) 25.295 3.079 ( -2.445 -5.992 0.269) 6.477 3.296 ( -18.519 3.711 -2.295) 19.026 3.675 ( 0.621 -16.052 -4.658) 16.726 3.740 ( -7.940 -0.543 4.297) 9.045 4.231 ( 5.799 -6.332 7.715) 11.543 5.012 ( -1.350 -2.623 1.249) 3.203 6.102 ( 10.488 12.342 -0.577) 16.206 6.656 ( -1.052 5.075 0.469) 5.204 6.991 ( 4.468 8.780 -7.725) 12.519 7.195 ( -2.277 8.173 -0.072) 8.484 7.645 ( 32.355 45.957 -0.442) 56.206 8.175 ( 8.577 12.386 7.759) 16.947 8.458 ( -14.696 41.148 3.980) 43.874 9.305 ( -4.771 32.117 -8.546) 33.575 9.550 ( -11.249 -1.356 21.334) 24.156 9.904 ( 51.880 -8.857 -0.143) 52.631 10.067 ( 35.623 -1.295 -11.846) 37.563 10.345 ( 16.966 29.365 26.152) 42.826 11.807 ( -28.014 -17.422 -3.997) 33.230 12.880 ( -21.051 -5.973 5.405) 22.539 13.094 ( -1.765 5.300 -37.711) 38.122 13.293 ( 10.994 -1.925 -30.483) 32.462 15.473 ( -0.837 12.898 22.542) 25.984 15.618 ( 15.083 6.110 21.144) 26.682 15.800 ( 19.788 18.484 9.264) 28.619 16.809 ( -3.775 -7.352 -8.435) 11.809 17.130 ( -17.750 0.752 -5.613) 18.631 17.414 ( -14.845 -0.543 -7.060) 16.447 17.899 ( 11.151 -16.605 -0.383) 20.005 18.476 ( -17.553 -16.862 1.521) 24.388 20.410 ( -8.450 -8.338 -0.056) 11.871 20.495 ( -3.904 -11.369 3.215) 12.444 20.732 ( -0.903 -9.990 -4.296) 10.912 20.760 ( -0.992 -4.071 -1.110) 4.334 ======================= Grid point 68 (40/156) ======================= q-point: ( 0.05 -0.65 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( -11.469 3.772 -0.640) 12.090 2.907 ( 8.696 6.362 -0.371) 10.781 3.165 ( -1.911 -10.962 4.023) 11.832 3.255 ( 0.498 8.868 2.968) 9.364 3.447 ( 0.486 -17.829 2.114) 17.960 3.892 ( 6.750 -3.090 -0.449) 7.437 4.555 ( -1.003 0.625 0.635) 1.342 4.827 ( -4.844 0.870 5.796) 7.603 6.198 ( -16.695 14.757 -2.899) 22.470 6.523 ( -0.652 6.622 7.891) 10.322 6.716 ( -1.126 12.563 -1.479) 12.700 7.284 ( -3.265 4.981 1.475) 6.136 7.547 ( -32.837 41.104 1.487) 52.631 8.558 ( 9.331 35.545 3.714) 36.937 8.649 ( -6.872 41.602 -3.788) 42.335 8.743 ( -1.094 28.504 5.869) 29.122 9.340 ( -22.046 -6.377 19.659) 30.218 9.818 ( -48.713 -7.880 -4.637) 49.563 10.939 ( 15.326 -15.635 -32.119) 38.871 11.515 ( 16.162 7.176 24.643) 30.331 11.584 ( 22.475 -5.984 11.044) 25.746 12.052 ( -10.101 8.711 -38.182) 40.445 12.155 ( -16.757 -1.884 6.457) 18.056 13.435 ( 16.437 1.659 -22.723) 28.094 15.559 ( -15.888 25.032 6.763) 30.411 16.219 ( -9.846 -11.469 16.442) 22.334 16.441 ( 3.594 7.403 -9.017) 12.208 16.481 ( 4.280 1.311 22.417) 22.860 16.692 ( -8.410 -2.425 -15.751) 18.020 17.157 ( 21.603 8.275 2.744) 23.296 17.837 ( -14.770 -19.677 2.275) 24.708 18.553 ( 18.753 -15.052 -1.455) 24.091 20.209 ( -2.842 -5.791 6.965) 9.493 20.565 ( 3.056 -6.471 2.351) 7.533 20.756 ( 4.329 -8.203 -3.891) 10.058 20.781 ( 6.075 -9.339 -4.645) 12.071 ======================= Grid point 69 (41/156) ======================= q-point: ( 0.05 -0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -8.790 12.072 0.556) 14.944 2.592 ( -11.367 11.576 -19.610) 25.451 3.125 ( -11.102 -6.634 2.394) 13.153 3.387 ( -0.692 4.252 -5.735) 7.172 3.491 ( -2.565 10.536 8.158) 13.570 3.915 ( -10.092 2.693 -11.435) 15.488 4.359 ( 5.890 8.338 1.152) 10.273 4.997 ( 3.028 4.376 2.690) 5.963 5.448 ( -13.713 16.221 9.116) 23.115 5.903 ( -37.038 42.266 0.772) 56.204 6.456 ( -16.318 -2.210 10.908) 19.752 6.750 ( 0.205 3.597 -1.002) 3.740 7.033 ( -17.817 5.599 5.722) 19.533 7.700 ( -32.518 8.337 4.564) 33.879 7.858 ( -22.787 4.149 -0.029) 23.162 8.290 ( -29.104 27.560 11.224) 41.624 9.025 ( -2.714 31.050 7.370) 32.028 9.151 ( 2.631 27.029 6.654) 27.960 10.487 ( -12.272 8.375 -59.485) 61.313 10.787 ( 12.954 -24.498 -48.683) 56.017 12.278 ( 1.688 -11.257 34.075) 35.926 12.474 ( 10.287 -13.243 14.365) 22.081 12.570 ( 7.134 4.208 33.168) 34.186 13.313 ( -6.226 -8.685 -4.170) 11.471 14.837 ( -15.442 21.761 -0.400) 26.687 15.853 ( -8.454 -0.139 -28.518) 29.745 16.008 ( -3.631 8.759 -28.771) 30.293 16.977 ( 8.744 -10.724 19.730) 24.099 17.144 ( 13.792 -10.953 16.414) 24.075 17.576 ( -2.913 -17.458 8.736) 19.738 17.984 ( 11.906 6.641 2.800) 13.918 19.077 ( 8.318 -14.239 -1.190) 16.533 20.516 ( 6.023 1.504 16.359) 17.498 20.700 ( 0.588 2.370 1.461) 2.846 20.925 ( 7.260 -4.168 -4.349) 9.433 20.938 ( 5.738 -3.129 -4.498) 7.934 ======================= Grid point 71 (42/156) ======================= q-point: ( 0.05 -0.05 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 17.188 13.082 -0.000) 21.600 2.509 ( 3.460 9.399 0.000) 10.015 3.105 ( -8.874 1.616 0.000) 9.020 3.415 ( 6.479 -8.339 -0.000) 10.560 3.633 ( -3.222 -20.200 -0.000) 20.455 3.871 ( -24.769 -0.653 0.000) 24.778 4.011 ( 1.446 8.908 0.000) 9.025 5.036 ( -5.780 0.426 0.000) 5.796 6.157 ( 9.230 10.222 0.000) 13.773 6.558 ( 9.247 -3.966 -0.000) 10.062 6.846 ( 14.224 -3.661 -0.000) 14.687 7.470 ( 0.860 7.498 0.000) 7.548 7.625 ( 46.838 27.640 -0.000) 54.385 8.089 ( 9.737 5.258 -0.000) 11.066 8.623 ( 47.407 -14.875 -0.000) 49.686 8.991 ( -3.743 2.488 0.000) 4.495 9.389 ( 31.084 -1.786 -0.000) 31.136 9.947 ( 22.022 27.000 0.000) 34.842 10.040 ( -7.914 40.937 0.000) 41.695 10.362 ( 9.392 33.263 0.000) 34.563 11.813 ( -16.079 -31.513 -0.000) 35.378 12.823 ( -7.633 -22.631 -0.000) 23.883 13.581 ( -1.937 1.873 0.000) 2.694 13.598 ( 0.402 7.596 0.000) 7.607 15.145 ( 15.691 1.074 -0.000) 15.728 15.299 ( 8.951 6.154 -0.000) 10.862 15.795 ( 18.309 27.490 0.000) 33.029 16.866 ( -6.740 -6.929 -0.000) 9.666 17.342 ( -3.263 -5.483 -0.000) 6.381 17.367 ( 0.710 -24.338 -0.000) 24.348 17.907 ( -15.459 9.842 0.000) 18.326 18.467 ( -17.125 -17.466 -0.000) 24.461 20.324 ( -8.154 -10.295 -0.000) 13.133 20.524 ( -11.387 -2.984 0.000) 11.772 20.769 ( -3.393 -0.653 0.000) 3.456 20.794 ( -11.714 -1.204 0.000) 11.775 ======================= Grid point 72 (43/156) ======================= q-point: ( 0.05 0.15 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( 5.061 1.975 1.053) 5.534 2.867 ( -10.062 -1.997 -1.382) 10.351 2.911 ( -2.716 -7.253 2.078) 8.018 3.034 ( 3.038 -10.764 1.970) 11.357 3.406 ( 2.085 5.873 3.232) 7.021 3.668 ( 0.046 -5.290 3.765) 6.493 4.422 ( 8.720 7.245 8.413) 14.118 4.765 ( -9.221 -9.113 4.934) 13.872 6.460 ( 2.909 9.708 3.378) 10.682 6.681 ( -3.174 0.564 0.789) 3.319 7.114 ( -10.242 9.573 -4.199) 14.635 7.321 ( 7.222 0.390 -2.412) 7.624 8.534 ( 9.683 12.411 12.977) 20.400 8.720 ( -17.388 15.191 10.417) 25.330 9.269 ( 28.671 43.994 -3.307) 52.616 9.337 ( -22.827 17.331 8.660) 29.940 9.795 ( -11.900 29.132 -12.221) 33.758 10.366 ( -4.578 -13.734 -12.101) 18.869 10.439 ( 34.329 -23.690 2.621) 41.792 10.883 ( -11.219 -21.958 -8.629) 26.125 11.292 ( 17.903 29.665 17.856) 38.980 12.190 ( -26.793 -14.088 10.897) 32.173 13.242 ( -2.089 8.970 -35.225) 36.409 13.571 ( 17.098 -4.307 -28.170) 33.233 15.662 ( -4.212 11.150 22.853) 25.775 15.845 ( 4.748 1.396 25.913) 26.381 16.669 ( -3.037 17.257 -4.340) 18.051 16.761 ( -5.837 16.280 -0.711) 17.310 16.820 ( 7.063 4.148 -3.988) 9.110 17.151 ( -7.681 -2.154 -7.035) 10.636 17.699 ( -19.271 -23.699 1.211) 30.569 17.794 ( 19.871 -24.320 -0.986) 31.421 20.136 ( -7.218 -1.800 3.257) 8.121 20.286 ( 3.726 -8.117 3.177) 9.480 20.589 ( 3.246 -5.639 -3.676) 7.473 20.635 ( -0.348 -5.746 -2.902) 6.446 ======================= Grid point 73 (44/156) ======================= q-point: ( 0.05 -0.65 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( -6.069 9.225 0.776) 11.069 2.975 ( -1.341 -9.421 3.940) 10.300 3.157 ( -1.874 4.752 -2.332) 5.615 3.264 ( 11.796 -1.841 1.658) 12.054 3.472 ( 9.766 4.387 0.580) 10.722 3.791 ( -2.505 -9.785 4.221) 10.947 4.535 ( -0.742 1.543 0.038) 1.713 4.958 ( 7.466 4.675 2.674) 9.206 6.159 ( -17.665 16.301 -3.295) 24.262 6.468 ( -11.236 1.191 8.441) 14.103 6.735 ( -8.864 -3.041 4.874) 10.563 7.277 ( -9.425 8.591 -3.311) 13.175 7.570 ( -38.542 32.730 2.139) 50.610 8.508 ( -44.932 -7.625 -1.136) 45.589 8.680 ( -32.306 7.534 -8.891) 34.344 8.737 ( -27.256 -2.587 14.000) 30.750 9.290 ( 7.345 20.834 19.864) 29.708 9.943 ( 7.476 56.502 -0.272) 56.996 10.861 ( 13.732 -23.970 -34.664) 44.325 11.489 ( -8.155 -15.835 22.438) 28.649 11.618 ( 6.823 -20.350 12.065) 24.622 12.065 ( -9.536 7.754 -42.141) 43.897 12.162 ( 4.110 18.456 11.634) 22.200 13.424 ( -2.306 -16.665 -22.954) 28.459 15.587 ( -24.319 15.172 8.806) 29.986 16.228 ( 13.151 11.957 16.093) 23.977 16.433 ( -7.923 -6.470 -8.939) 13.585 16.474 ( -1.159 -3.215 20.543) 20.825 16.672 ( 0.662 8.612 -16.571) 18.687 17.163 ( -8.110 -21.362 3.412) 23.103 17.837 ( 19.598 14.826 2.383) 24.689 18.552 ( 15.049 -18.830 -1.603) 24.158 20.194 ( 5.290 1.990 7.844) 9.668 20.586 ( 6.440 -1.525 2.230) 6.984 20.745 ( 9.743 -6.071 -5.897) 12.906 20.786 ( 8.398 -5.066 -3.226) 10.325 ======================= Grid point 75 (45/156) ======================= q-point: ( 0.05 -0.25 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( 8.135 9.989 -13.406) 18.592 2.303 ( 13.583 15.616 0.376) 20.700 2.765 ( 17.362 -4.227 -1.590) 17.940 2.926 ( 19.429 0.073 -11.315) 22.484 3.757 ( -10.506 7.552 -4.738) 13.779 4.380 ( -3.598 6.658 -0.510) 7.585 4.498 ( -9.892 17.734 8.616) 22.059 5.124 ( 3.836 6.757 5.125) 9.308 5.857 ( 2.360 9.492 4.911) 10.945 5.951 ( 17.844 -5.439 2.085) 18.771 6.154 ( 8.898 16.053 8.115) 20.068 6.487 ( -0.968 -8.865 -6.281) 10.907 7.063 ( 19.440 -6.753 -4.430) 21.051 7.173 ( 21.126 -6.923 1.534) 22.284 7.732 ( 2.111 -4.647 0.496) 5.128 7.857 ( 31.843 -1.123 2.744) 31.981 9.381 ( 4.201 8.666 -21.360) 23.431 9.625 ( -0.111 18.829 -30.753) 36.059 10.047 ( 2.689 42.524 6.838) 43.154 10.254 ( 0.590 37.310 -8.261) 38.218 12.253 ( -9.121 -36.597 1.701) 37.755 12.785 ( 6.722 -20.621 -0.491) 21.694 13.086 ( -2.969 -4.277 49.237) 49.512 13.473 ( -5.015 2.282 39.077) 39.464 14.860 ( 6.450 4.328 -23.684) 24.926 15.314 ( 8.603 19.936 -10.624) 24.172 15.411 ( 6.281 8.526 -36.639) 38.139 17.189 ( -3.901 -10.451 9.684) 14.772 17.311 ( -5.068 -11.013 4.718) 13.009 17.481 ( -6.190 -14.082 11.799) 19.387 18.167 ( 0.618 3.527 -8.160) 8.911 18.913 ( -4.693 -15.185 -0.087) 15.894 20.715 ( -6.697 -5.131 0.737) 8.469 20.799 ( -2.205 -0.012 -1.510) 2.672 20.955 ( -4.260 0.372 -2.092) 4.760 21.220 ( -9.419 2.654 10.717) 14.512 ======================= Grid point 76 (46/156) ======================= q-point: ( 0.05 -0.05 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( 1.769 7.503 0.000) 7.709 2.743 ( 4.551 -8.230 -0.000) 9.404 2.943 ( -10.204 -0.232 0.000) 10.206 3.075 ( -13.317 -5.076 0.000) 14.252 3.425 ( 3.207 7.049 0.000) 7.744 3.586 ( -4.331 -4.461 -0.000) 6.218 4.300 ( 8.735 8.860 0.000) 12.442 4.745 ( -12.739 -8.899 0.000) 15.540 6.492 ( 7.698 5.876 -0.000) 9.685 6.591 ( 3.576 -6.822 -0.000) 7.703 7.044 ( 14.947 -6.530 -0.000) 16.311 7.466 ( -4.966 2.440 0.000) 5.534 8.361 ( 12.472 4.649 -0.000) 13.311 8.786 ( -9.793 -6.325 0.000) 11.658 9.095 ( 42.625 -20.679 -0.000) 47.376 9.282 ( 45.989 23.591 -0.000) 51.686 9.884 ( 27.028 -10.662 -0.000) 29.055 10.439 ( -23.924 29.505 0.000) 37.986 10.722 ( -20.263 -41.537 -0.000) 46.216 10.742 ( -6.223 27.953 0.000) 28.638 11.169 ( 24.935 20.345 -0.000) 32.182 12.074 ( -15.849 -28.405 -0.000) 32.527 13.654 ( 3.884 0.457 -0.000) 3.910 13.892 ( -3.355 17.879 0.000) 18.191 15.382 ( 12.224 -5.290 -0.000) 13.320 15.526 ( 5.063 2.272 -0.000) 5.549 16.677 ( 10.902 -20.178 -0.000) 22.935 16.727 ( 21.300 23.204 0.000) 31.498 17.035 ( 7.790 -10.711 -0.000) 13.244 17.136 ( -6.494 -2.748 0.000) 7.051 17.689 ( -23.677 -19.431 0.000) 30.630 17.802 ( -24.082 20.084 0.000) 31.358 20.064 ( -0.371 -5.724 -0.000) 5.736 20.289 ( -9.955 2.145 0.000) 10.184 20.628 ( -5.745 2.759 0.000) 6.374 20.664 ( -5.265 0.162 0.000) 5.267 ======================= Grid point 77 (47/156) ======================= q-point: ( 0.05 0.15 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( -2.187 -5.179 0.856) 5.687 2.772 ( -2.948 6.451 2.022) 7.375 2.955 ( 10.508 0.417 1.060) 10.570 3.075 ( 13.871 4.279 -0.362) 14.520 3.443 ( -4.998 -5.799 1.886) 7.885 3.640 ( 3.695 3.058 4.818) 6.799 4.398 ( -7.750 -7.943 8.870) 14.206 4.803 ( 11.324 7.490 4.631) 14.345 6.523 ( -7.563 -5.935 2.957) 10.058 6.601 ( -4.158 6.077 1.197) 7.460 7.013 ( -14.833 5.901 -2.644) 16.181 7.426 ( 4.919 -2.357 -3.817) 6.657 8.482 ( -14.135 -3.227 12.310) 19.019 8.942 ( 9.736 8.103 15.866) 20.302 9.124 ( -42.791 15.915 2.831) 45.743 9.255 ( -44.092 -20.084 -2.609) 48.521 9.755 ( -25.535 11.709 -13.127) 31.007 10.464 ( 23.900 -31.430 2.502) 39.564 10.602 ( 11.306 -24.513 -14.898) 30.833 10.696 ( 20.409 38.535 -3.106) 43.716 11.317 ( -27.584 -18.085 16.363) 36.820 12.183 ( 14.176 27.088 11.133) 32.537 13.242 ( -9.007 2.150 -35.463) 36.652 13.567 ( 3.980 -17.126 -27.844) 32.931 15.649 ( -12.253 3.574 22.680) 26.025 15.845 ( -1.573 -4.516 25.815) 26.255 16.636 ( -11.118 11.560 -4.413) 16.635 16.733 ( -19.505 -15.152 0.281) 24.700 16.993 ( -8.607 11.441 -3.850) 14.826 17.057 ( 5.327 1.977 -7.975) 9.793 17.701 ( 23.901 19.551 1.180) 30.901 17.792 ( 24.224 -20.089 -0.990) 31.486 20.100 ( 0.246 5.473 3.602) 6.557 20.323 ( 9.718 -2.072 3.202) 10.439 20.585 ( 5.353 -2.943 -4.068) 7.339 20.635 ( 5.752 0.087 -2.811) 6.402 ======================= Grid point 78 (48/156) ======================= q-point: ( 0.05 0.35 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( -13.176 5.588 3.794) 14.806 2.685 ( -5.140 -9.476 0.463) 10.790 3.057 ( -14.043 2.428 -1.531) 14.334 3.513 ( -11.539 -3.739 6.239) 13.640 3.657 ( 19.364 1.259 4.185) 19.851 3.886 ( 20.863 4.447 -5.415) 22.008 4.600 ( 4.055 0.135 6.240) 7.443 5.064 ( 0.718 -5.483 -8.717) 10.323 6.145 ( -10.953 2.935 2.400) 11.591 6.225 ( -16.621 8.017 5.208) 19.174 6.335 ( -16.242 -4.075 -2.026) 16.868 7.214 ( -17.695 5.991 -1.526) 18.744 7.260 ( -37.589 -16.791 1.904) 41.213 7.396 ( -27.193 17.305 -0.991) 32.248 8.126 ( -24.091 -4.896 9.094) 26.211 8.294 ( -31.481 6.987 -7.904) 33.202 9.775 ( 3.878 14.856 26.920) 30.991 10.464 ( 3.336 -31.845 -26.498) 41.562 10.922 ( -11.140 -14.559 43.306) 47.026 11.091 ( 4.313 15.600 1.320) 16.239 11.288 ( 11.143 -8.707 1.543) 14.225 11.966 ( -6.167 6.322 -54.041) 54.758 12.588 ( -3.074 17.902 11.538) 21.519 12.977 ( -4.641 -12.007 -22.664) 26.064 15.456 ( -13.473 6.218 16.899) 22.489 15.961 ( -12.116 -15.272 -5.014) 20.129 16.310 ( -3.866 -5.876 27.257) 28.150 16.784 ( 12.399 5.052 0.060) 13.389 16.819 ( -1.597 7.529 -19.786) 21.230 16.927 ( 6.711 4.720 -3.355) 8.864 18.421 ( 7.299 -11.247 2.665) 13.670 18.454 ( 10.863 12.161 0.416) 16.312 20.434 ( 9.987 4.457 3.585) 11.509 20.722 ( 6.311 1.033 0.457) 6.411 20.876 ( 8.679 -2.096 -2.492) 9.269 20.897 ( 10.625 -2.014 -3.389) 11.332 ======================= Grid point 80 (49/156) ======================= q-point: ( 0.05 -0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 13.658 -2.283 -5.507) 14.903 2.678 ( 2.531 10.159 -0.154) 10.471 3.060 ( 15.605 -3.420 -0.473) 15.982 3.318 ( 13.471 2.739 -10.036) 17.021 3.571 ( -17.441 2.076 -4.052) 18.026 4.067 ( -20.577 -6.636 10.363) 23.976 4.424 ( -9.152 1.270 -9.659) 13.366 5.195 ( -6.675 2.075 3.338) 7.746 6.078 ( 12.619 -3.706 -3.265) 13.552 6.178 ( 16.603 -6.930 -0.654) 18.003 6.417 ( 12.659 -2.003 6.055) 14.175 7.162 ( 39.172 14.319 -3.611) 41.863 7.246 ( 29.013 -12.648 -2.061) 31.717 7.416 ( 22.544 -14.178 0.868) 26.646 7.958 ( 21.887 1.643 -6.943) 23.021 8.411 ( 35.138 -9.865 3.555) 36.669 9.349 ( -5.440 -5.966 -14.761) 16.825 10.217 ( 15.611 24.142 -25.554) 38.465 10.889 ( -1.118 35.114 14.330) 37.942 11.066 ( -5.239 8.586 -0.964) 10.104 11.280 ( -10.566 -13.146 0.110) 16.866 12.419 ( 0.761 -24.302 -5.324) 24.890 13.020 ( 1.749 0.500 50.792) 50.825 13.520 ( 1.979 9.996 29.906) 31.594 15.016 ( 15.605 -8.351 -25.026) 30.652 15.640 ( 7.571 4.314 -35.562) 36.614 16.063 ( 11.521 27.448 1.479) 29.804 16.819 ( -15.058 -12.893 2.494) 19.980 17.004 ( -6.769 -11.243 4.560) 13.893 17.122 ( 1.051 -8.192 9.962) 12.941 18.348 ( -1.792 14.236 -4.045) 14.908 18.435 ( -11.962 -16.147 -1.148) 20.128 20.378 ( -11.452 -7.328 -1.584) 13.687 20.689 ( -6.508 -2.086 -2.154) 7.166 20.889 ( -6.006 3.093 0.251) 6.760 21.029 ( -13.721 2.794 6.584) 15.473 ======================= Grid point 81 (50/156) ======================= q-point: ( 0.05 -0.05 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( -4.886 -1.934 0.000) 5.255 2.884 ( 12.886 3.136 -0.000) 13.262 2.887 ( 1.913 6.162 0.000) 6.452 3.002 ( -5.687 7.594 0.000) 9.487 3.373 ( -1.770 -3.598 -0.000) 4.010 3.627 ( 0.174 5.892 0.000) 5.894 4.330 ( -9.478 -7.760 0.000) 12.250 4.705 ( 10.557 10.411 -0.000) 14.827 6.426 ( -2.748 -10.041 -0.000) 10.410 6.672 ( 3.965 0.078 -0.000) 3.966 7.160 ( 12.132 -8.729 -0.000) 14.946 7.349 ( -8.684 -1.020 0.000) 8.744 8.406 ( -9.870 -11.223 -0.000) 14.945 8.613 ( 14.123 -9.521 -0.000) 17.033 9.258 ( 24.057 -22.707 -0.000) 33.081 9.300 ( -28.806 -46.036 -0.000) 54.305 9.916 ( 10.614 -29.773 -0.000) 31.608 10.414 ( -32.081 23.322 0.000) 39.662 10.476 ( 14.046 14.263 0.000) 20.018 10.978 ( 1.625 20.953 0.000) 21.016 11.114 ( -19.838 -31.650 -0.000) 37.353 12.083 ( 27.780 15.733 -0.000) 31.926 13.651 ( -0.809 -3.988 -0.000) 4.070 13.901 ( -17.491 4.037 0.000) 17.951 15.391 ( 5.569 -11.471 -0.000) 12.751 15.527 ( -2.325 -4.915 -0.000) 5.437 16.703 ( -1.968 -19.617 -0.000) 19.715 16.765 ( 8.806 -16.108 -0.000) 18.358 16.867 ( -3.792 -3.026 0.000) 4.852 17.222 ( 7.209 3.770 -0.000) 8.135 17.687 ( 19.123 23.470 0.000) 30.274 17.804 ( -19.853 24.148 0.000) 31.261 20.103 ( 7.634 2.127 -0.000) 7.925 20.252 ( -3.933 8.421 0.000) 9.294 20.629 ( -3.029 5.815 0.000) 6.557 20.664 ( 0.039 5.264 0.000) 5.265 ======================= Grid point 82 (51/156) ======================= q-point: ( 0.05 0.15 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( -3.486 -9.642 0.655) 10.274 2.639 ( -15.001 -8.069 12.218) 20.963 3.126 ( 8.848 -2.406 2.092) 9.405 3.383 ( -4.704 7.908 -3.023) 9.685 3.658 ( 13.978 16.492 -0.450) 21.623 3.782 ( 6.092 0.870 -2.724) 6.730 4.167 ( 3.220 -8.476 12.076) 15.101 5.042 ( 4.070 -1.041 -0.611) 4.245 6.146 ( -10.897 -12.865 -0.718) 16.875 6.573 ( -8.768 4.997 1.525) 10.207 6.805 ( -13.968 3.814 -3.613) 14.923 7.430 ( 0.973 -5.780 -3.868) 7.022 7.614 ( -48.282 -31.266 -1.065) 57.531 8.168 ( -11.471 -6.161 7.999) 15.282 8.627 ( -48.459 14.460 0.418) 50.573 9.178 ( -6.210 0.358 13.481) 14.847 9.321 ( -19.101 -1.761 -2.914) 19.402 10.028 ( -3.288 -34.697 -3.130) 34.993 10.082 ( 7.041 -35.656 6.577) 36.935 10.430 ( -21.786 -22.073 16.446) 35.104 11.777 ( 16.446 30.655 -3.522) 34.966 12.872 ( 5.748 20.821 4.430) 22.050 13.088 ( -5.689 0.997 -38.784) 39.212 13.297 ( 2.352 -9.682 -28.130) 29.842 15.375 ( -16.988 -3.866 17.845) 24.939 15.652 ( -4.999 -8.007 26.628) 28.252 15.850 ( -16.259 -21.874 7.977) 28.398 16.794 ( 7.321 5.417 -7.392) 11.729 17.249 ( 2.839 5.509 -9.663) 11.480 17.327 ( -2.207 24.559 -3.794) 24.948 17.901 ( 16.714 -10.883 -0.678) 19.956 18.482 ( 17.055 17.515 1.465) 24.490 20.342 ( 7.678 9.426 1.432) 12.242 20.553 ( 11.166 2.955 2.590) 11.837 20.737 ( 10.578 1.039 -4.909) 11.708 20.757 ( 4.009 0.969 -1.212) 4.298 ======================= Grid point 84 (52/156) ======================= q-point: ( 0.05 0.55 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 12.059 -9.258 -3.401) 15.579 2.608 ( 19.046 -4.879 -0.598) 19.670 2.730 ( 7.311 6.769 2.615) 10.301 3.270 ( 14.004 0.994 -2.958) 14.347 3.951 ( -13.828 -8.999 6.453) 17.716 4.189 ( -15.191 -5.134 -3.865) 16.494 4.538 ( 1.827 -5.889 4.567) 7.673 5.147 ( -0.605 -0.381 6.153) 6.195 5.560 ( 6.136 -26.492 -1.772) 27.251 5.753 ( 21.194 -2.361 -10.580) 23.805 5.996 ( 19.945 -17.670 -0.250) 26.647 6.611 ( 2.683 -9.286 -8.829) 13.091 6.878 ( 11.101 -9.384 -3.666) 14.991 7.035 ( 12.919 11.253 -7.251) 18.604 7.508 ( 28.102 -11.164 -3.049) 30.392 7.798 ( 14.171 2.691 -6.577) 15.853 9.480 ( -2.518 -18.993 -12.161) 22.693 10.008 ( 1.882 -63.994 -1.700) 64.044 11.113 ( 1.363 22.020 -1.018) 22.086 11.239 ( -2.140 30.114 6.313) 30.843 11.815 ( -1.502 -1.907 58.640) 58.691 12.191 ( -9.997 31.823 -3.011) 33.492 12.288 ( -1.413 -8.426 -16.640) 18.705 13.023 ( 11.557 7.612 15.506) 20.783 14.871 ( 10.572 -22.626 -15.764) 29.533 16.119 ( 4.293 12.224 17.932) 22.123 16.357 ( 2.017 5.733 -30.679) 31.275 16.612 ( 2.434 -8.349 20.363) 22.142 17.050 ( -2.285 7.749 -7.778) 11.214 17.145 ( -18.672 8.488 -1.511) 20.567 18.323 ( -5.280 -12.202 -0.164) 13.296 18.762 ( 2.534 13.903 -10.191) 17.423 20.501 ( -6.826 -6.954 -7.185) 12.107 20.770 ( -2.330 -3.398 -1.933) 4.551 21.035 ( -3.160 2.370 0.997) 4.074 21.139 ( -6.886 1.965 7.884) 10.651 ======================= Grid point 85 (53/156) ======================= q-point: ( 0.05 0.75 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( 7.357 -8.349 -1.556) 11.236 2.906 ( 0.817 8.761 -2.732) 9.214 3.161 ( 0.971 -3.023 -1.057) 3.346 3.202 ( -10.934 -2.286 -3.233) 11.629 3.518 ( -10.081 -2.943 3.665) 11.123 3.679 ( 1.107 7.803 -6.151) 9.998 4.450 ( 2.061 6.830 -6.394) 9.580 4.890 ( -13.050 -9.342 -4.213) 16.593 6.209 ( 18.628 -14.151 0.857) 23.409 6.337 ( 10.874 -5.027 -4.104) 12.663 6.666 ( 9.789 -0.324 -1.788) 9.956 7.319 ( 17.001 -15.344 0.878) 22.918 7.547 ( 31.295 -26.407 -0.265) 40.949 8.465 ( 27.050 12.366 -4.952) 30.153 8.546 ( 51.199 2.191 -3.316) 51.353 8.793 ( 22.556 -13.115 -0.810) 26.105 9.044 ( 1.459 -16.260 -3.676) 16.734 9.939 ( -5.829 -59.643 -0.545) 59.929 11.047 ( 21.505 19.685 -15.716) 33.121 11.401 ( -13.263 25.185 16.298) 32.800 11.493 ( -18.629 22.395 -2.053) 29.202 11.847 ( -9.568 -23.855 -10.069) 27.604 13.115 ( 3.395 0.694 49.953) 50.073 13.963 ( 5.511 17.552 31.395) 36.389 15.257 ( 22.671 -1.441 -24.752) 33.596 15.815 ( 5.079 -0.494 -34.231) 34.609 16.010 ( -14.388 -30.587 -6.993) 34.518 16.704 ( 8.652 8.993 9.569) 15.726 16.887 ( -0.626 -3.648 5.003) 6.223 17.143 ( 8.245 13.288 1.466) 15.706 17.796 ( -19.562 -15.833 -1.697) 25.224 18.573 ( -12.925 20.090 0.645) 23.898 20.078 ( -5.264 -3.424 -3.870) 7.376 20.534 ( -6.872 1.330 -2.458) 7.419 20.842 ( -7.356 6.144 2.355) 9.869 20.853 ( -10.812 5.390 4.244) 12.805 ======================= Grid point 86 (54/156) ======================= q-point: ( 0.05 -0.05 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( -9.172 -3.557 0.000) 9.838 2.561 ( -19.367 -15.793 0.000) 24.990 3.074 ( 1.143 7.412 0.000) 7.499 3.325 ( 21.790 -8.440 -0.000) 23.368 3.688 ( 9.800 4.028 -0.000) 10.596 3.724 ( -3.858 14.096 0.000) 14.614 4.156 ( -3.679 10.435 0.000) 11.064 4.990 ( 1.973 2.950 0.000) 3.549 6.113 ( -7.468 -10.185 -0.000) 12.630 6.644 ( -0.385 -6.071 -0.000) 6.084 7.082 ( -10.903 -5.967 0.000) 12.429 7.195 ( 8.743 -9.823 -0.000) 13.150 7.645 ( -30.228 -46.789 -0.000) 55.704 8.099 ( -7.841 -11.081 -0.000) 13.574 8.412 ( 13.265 -37.143 -0.000) 39.441 9.325 ( 9.342 -2.845 -0.000) 9.766 9.400 ( 2.376 -32.300 -0.000) 32.387 9.905 ( -51.264 7.951 0.000) 51.877 10.086 ( -18.189 -32.682 -0.000) 37.402 10.186 ( -36.809 -0.248 0.000) 36.810 11.847 ( 28.535 17.157 -0.000) 33.296 12.822 ( 22.546 7.285 -0.000) 23.694 13.566 ( -2.523 2.180 0.000) 3.334 13.630 ( -7.430 0.261 0.000) 7.434 15.193 ( 0.353 -13.640 -0.000) 13.645 15.297 ( -7.294 -8.276 -0.000) 11.031 15.755 ( -27.870 -20.743 0.000) 34.742 16.892 ( 4.239 7.162 0.000) 8.323 17.180 ( 20.824 -0.961 -0.000) 20.847 17.489 ( 12.874 2.315 -0.000) 13.080 17.901 ( -10.363 15.298 0.000) 18.478 18.461 ( 17.478 16.914 -0.000) 24.323 20.406 ( 10.606 8.092 -0.000) 13.340 20.459 ( 2.493 12.610 0.000) 12.854 20.771 ( 0.615 3.378 0.000) 3.433 20.784 ( 1.251 10.960 0.000) 11.032 ======================= Grid point 87 (55/156) ======================= q-point: ( 0.05 0.15 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( -15.243 -14.970 23.728) 31.929 2.192 ( -6.515 -14.338 1.039) 15.783 3.178 ( -13.752 1.275 -1.110) 13.855 3.255 ( -3.658 -2.834 3.395) 5.740 3.594 ( -13.648 -2.833 3.648) 14.408 3.961 ( -2.690 -24.047 -0.485) 24.201 4.196 ( 5.475 1.464 -0.450) 5.685 5.102 ( 6.038 2.470 -7.801) 10.169 5.695 ( -5.669 -12.464 -8.435) 16.082 5.917 ( -37.010 -41.934 -1.566) 55.952 6.430 ( -15.086 2.642 2.874) 15.583 6.684 ( -4.540 0.869 0.462) 4.646 7.388 ( -5.588 -5.565 -9.507) 12.352 7.800 ( -26.429 -4.373 -5.077) 27.265 7.886 ( -23.954 -1.370 -0.102) 23.993 8.357 ( -32.483 -29.409 -2.719) 43.902 8.966 ( -1.563 -19.016 0.642) 19.091 9.308 ( -3.262 -25.344 3.170) 25.749 9.578 ( -16.708 -17.379 26.713) 35.983 9.979 ( 6.853 7.053 34.400) 35.778 12.554 ( 12.611 18.589 -5.293) 23.078 13.126 ( 1.634 5.855 -40.160) 40.618 13.194 ( 2.306 6.638 -18.092) 19.409 13.342 ( 3.342 3.610 -16.308) 17.034 14.748 ( -15.861 -20.551 3.281) 26.167 15.322 ( -10.940 -5.783 27.469) 30.127 15.387 ( -6.446 -8.889 32.886) 34.671 17.259 ( 15.290 16.381 -8.640) 24.016 17.399 ( 3.765 6.216 -9.074) 11.625 17.729 ( 1.204 16.395 -6.384) 17.635 18.024 ( 9.294 -2.506 -0.845) 9.663 19.058 ( 10.006 13.612 1.051) 16.927 20.677 ( 5.893 5.179 -2.053) 8.110 20.754 ( 2.402 0.332 0.291) 2.442 20.855 ( 6.529 2.492 2.704) 7.493 20.968 ( 9.451 0.214 -9.097) 13.120 ======================= Grid point 89 (56/156) ======================= q-point: ( 0.05 0.55 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 10.464 -10.464 -1.252) 14.851 2.819 ( 14.754 -8.919 4.307) 17.770 3.064 ( 9.099 6.870 -3.705) 11.988 3.328 ( 0.439 -11.227 -5.918) 12.699 3.524 ( -8.743 -4.985 6.294) 11.870 4.003 ( 1.176 6.557 -3.242) 7.409 4.449 ( -0.448 -6.422 8.614) 10.754 4.942 ( -5.445 -10.038 -2.690) 11.732 5.352 ( 21.227 -21.814 -0.700) 30.445 5.881 ( 35.290 -43.729 -1.664) 56.218 6.225 ( 18.611 2.841 -11.255) 21.934 6.669 ( 3.059 -0.458 -8.226) 8.788 6.980 ( 20.191 -11.044 -1.008) 23.036 7.552 ( 40.553 -10.659 -10.709) 43.277 7.846 ( 26.075 -13.243 -1.495) 29.284 8.122 ( 24.985 -22.748 -4.174) 34.046 8.827 ( 3.868 -32.883 -11.747) 35.132 9.043 ( -5.924 -26.285 -5.040) 27.412 11.553 ( 4.622 14.945 -1.456) 15.711 11.696 ( -17.159 27.290 35.880) 48.234 11.801 ( 4.633 0.981 39.241) 39.526 12.040 ( -8.636 -5.956 -14.750) 18.100 12.293 ( -13.743 9.999 -7.420) 18.545 13.456 ( 12.963 1.742 11.582) 17.470 14.822 ( 18.895 -14.175 -2.456) 23.748 16.327 ( 5.170 0.820 17.328) 18.101 16.471 ( -0.576 2.699 -26.279) 26.424 16.483 ( 1.621 -7.347 15.871) 17.564 16.783 ( -27.388 11.960 -19.607) 35.743 17.414 ( 6.141 18.392 -7.711) 20.867 17.915 ( -13.500 -10.127 -3.946) 17.331 19.088 ( -4.017 16.076 -0.247) 16.572 20.235 ( -3.910 -5.797 -11.138) 13.151 20.662 ( -1.257 -2.598 -2.319) 3.703 21.022 ( -4.699 4.810 3.916) 7.781 21.036 ( -7.886 3.707 6.133) 10.655 ======================= Grid point 90 (57/156) ======================= q-point: ( 0.05 0.75 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( 12.595 -3.514 0.122) 13.076 2.896 ( -9.352 -4.357 -0.777) 10.347 3.061 ( 0.213 7.778 -5.314) 9.422 3.187 ( -1.804 -9.743 -3.687) 10.573 3.442 ( 1.571 15.669 0.623) 15.760 3.871 ( -3.908 10.451 -1.715) 11.289 4.428 ( -7.823 -8.459 -8.492) 14.313 4.757 ( 9.042 6.905 -2.928) 11.747 6.233 ( 9.848 -12.934 0.119) 16.257 6.372 ( 9.786 -11.413 -5.847) 16.131 6.754 ( 7.401 -7.534 2.135) 10.774 7.275 ( 5.898 -12.591 -0.000) 13.904 7.536 ( 28.760 -35.255 0.300) 45.499 8.384 ( -9.614 -22.310 -8.589) 25.767 8.585 ( -5.695 -58.546 -2.526) 58.877 8.881 ( 17.617 -29.310 7.440) 34.997 9.042 ( 14.471 5.619 -10.622) 18.810 9.863 ( 55.802 5.990 0.758) 56.127 11.058 ( -19.073 -21.778 -16.479) 33.311 11.443 ( -22.022 15.659 17.074) 31.964 11.480 ( -24.228 18.490 -3.129) 30.638 11.835 ( 24.949 8.544 -9.519) 28.036 13.114 ( -0.681 -3.597 49.919) 50.053 13.973 ( -17.406 -5.075 31.504) 36.349 15.262 ( 2.494 -22.996 -23.841) 33.217 15.822 ( -0.043 -4.593 -35.038) 35.337 15.977 ( 30.187 12.156 -7.016) 33.291 16.708 ( -8.351 -7.810 10.029) 15.209 16.879 ( -0.731 0.007 2.858) 2.950 17.159 ( -9.780 -6.821 2.870) 12.264 17.797 ( 15.719 19.649 -1.624) 25.215 18.571 ( -20.026 12.804 0.515) 23.775 20.105 ( 4.882 6.169 -3.491) 8.607 20.512 ( -2.759 6.594 -2.541) 7.586 20.819 ( -5.215 6.644 2.370) 8.773 20.875 ( -6.210 10.903 4.030) 13.179 ======================= Grid point 91 (58/156) ======================= q-point: ( 0.05 -0.05 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -22.435 -17.503 0.000) 28.455 2.187 ( -14.010 -6.703 0.000) 15.530 3.198 ( 0.974 0.841 -0.000) 1.287 3.207 ( 4.057 -21.051 -0.000) 21.438 3.551 ( -3.947 -11.603 -0.000) 12.256 3.782 ( -19.988 -4.469 0.000) 20.481 4.460 ( -6.610 9.979 0.000) 11.970 5.035 ( 5.867 1.237 -0.000) 5.996 5.848 ( -7.921 3.732 0.000) 8.756 5.887 ( -38.266 -41.482 -0.000) 56.436 6.542 ( -5.634 -4.135 0.000) 6.988 6.689 ( -8.444 -14.344 -0.000) 16.645 7.279 ( 8.030 -9.782 -0.000) 12.656 7.787 ( -1.306 -35.468 -0.000) 35.492 7.866 ( 3.178 -10.112 -0.000) 10.600 8.576 ( -31.953 -28.568 0.000) 42.862 9.073 ( -19.262 -5.949 0.000) 20.159 9.230 ( -15.428 -16.207 -0.000) 22.376 9.273 ( -24.843 -8.114 0.000) 26.135 9.554 ( -4.366 5.724 0.000) 7.199 12.619 ( 19.262 12.696 -0.000) 23.070 13.240 ( 13.529 -0.774 -0.000) 13.551 13.683 ( 2.819 7.855 0.000) 8.345 13.694 ( 1.849 10.652 0.000) 10.811 14.821 ( -27.282 -12.631 0.000) 30.064 14.870 ( -4.167 -14.891 -0.000) 15.463 14.954 ( -8.546 -14.478 -0.000) 16.813 17.352 ( 17.746 16.528 -0.000) 24.251 17.454 ( 7.997 1.602 -0.000) 8.156 17.822 ( 13.894 3.066 -0.000) 14.228 18.004 ( -0.743 6.768 0.000) 6.808 19.039 ( 13.852 10.200 -0.000) 17.202 20.709 ( 2.307 1.673 -0.000) 2.849 20.757 ( 3.693 8.874 0.000) 9.612 20.813 ( 1.221 3.979 0.000) 4.162 21.073 ( 3.096 12.674 0.000) 13.047 ======================= Grid point 93 (59/156) ======================= q-point: ( 0.05 0.35 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 20.094 -15.887 1.543) 25.662 2.104 ( 12.621 -14.591 14.914) 24.385 2.828 ( 9.825 -28.990 5.679) 31.132 2.915 ( 13.532 0.688 2.909) 13.858 3.358 ( 5.009 -4.020 16.983) 18.157 3.558 ( 2.396 -9.716 12.772) 16.226 3.965 ( 14.984 -20.975 -1.718) 25.835 4.251 ( 25.205 -38.076 1.709) 45.695 5.089 ( -7.104 -20.954 -15.972) 27.288 5.165 ( -2.472 -9.786 -14.331) 17.529 5.866 ( 32.283 -17.477 -14.739) 39.558 6.174 ( 29.390 -21.146 -16.295) 39.705 6.574 ( -0.421 -30.125 -0.412) 30.131 7.046 ( 10.568 -11.281 -7.899) 17.359 7.119 ( 13.779 -16.132 -9.434) 23.219 7.684 ( 1.078 1.435 -11.063) 11.208 8.661 ( 5.160 -2.388 -8.463) 10.196 8.852 ( -3.478 -10.575 -2.900) 11.503 10.224 ( 3.985 -2.422 67.385) 67.547 11.686 ( -15.454 37.843 56.807) 69.985 12.522 ( -1.711 9.523 -33.339) 34.715 12.686 ( -5.875 0.978 -32.300) 32.845 12.826 ( -9.518 1.765 -13.314) 16.461 13.232 ( 7.992 0.097 -6.422) 10.253 14.279 ( 8.368 -9.401 6.027) 13.955 15.702 ( 4.580 -1.467 30.176) 30.557 15.785 ( 2.297 -6.952 29.847) 30.732 17.163 ( -1.488 5.105 -23.943) 24.527 17.823 ( 0.850 13.659 -9.999) 16.949 17.986 ( -19.180 17.714 -8.262) 27.384 18.106 ( -10.096 6.026 -5.193) 12.854 19.412 ( -0.292 10.797 -1.954) 10.977 20.387 ( 3.566 -17.670 -26.392) 31.961 20.522 ( 4.758 -11.448 -1.220) 12.457 21.053 ( -1.927 1.355 5.315) 5.813 21.077 ( -2.285 1.211 4.961) 5.595 ======================= Grid point 94 (60/156) ======================= q-point: ( 0.05 0.55 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 12.268 -9.683 -0.438) 15.635 2.761 ( 3.966 -14.743 6.102) 16.442 3.025 ( -1.927 -14.031 -5.812) 15.309 3.299 ( 4.773 6.210 -4.309) 8.939 3.624 ( 9.373 5.645 0.011) 10.941 4.112 ( -6.175 3.635 2.955) 7.751 4.421 ( 13.042 -3.007 10.448) 16.980 4.706 ( -1.903 -3.682 -9.771) 10.614 5.455 ( 23.821 -14.273 0.032) 27.769 5.800 ( 38.402 -38.168 -4.368) 54.320 6.460 ( 0.676 -16.145 -1.746) 16.253 6.541 ( 7.982 -3.740 -7.779) 11.756 7.091 ( 7.724 -9.441 -6.597) 13.868 7.490 ( 14.247 -49.017 -9.946) 52.005 7.872 ( 16.537 -22.103 -1.924) 27.671 8.082 ( 14.524 -29.364 -4.902) 33.125 8.789 ( 39.096 -3.341 -9.875) 40.462 9.062 ( 21.255 5.826 -5.779) 22.784 11.598 ( -14.048 -4.388 -7.611) 16.569 11.689 ( -23.296 11.872 39.608) 47.460 11.799 ( -3.276 1.531 41.603) 41.760 12.016 ( 4.695 7.589 -14.348) 16.897 12.281 ( -10.903 13.378 -7.778) 18.930 13.468 ( -1.023 -12.531 11.482) 17.027 14.791 ( 12.984 -19.511 -1.700) 23.498 16.342 ( -0.949 -6.328 18.746) 19.808 16.411 ( 1.695 2.065 -1.918) 3.289 16.511 ( 1.075 -0.763 -16.355) 16.408 16.821 ( -9.015 26.465 -13.841) 31.197 17.416 ( -18.857 -6.035 -7.772) 21.270 17.913 ( 10.481 13.496 -3.965) 17.542 19.086 ( -16.004 3.888 -0.497) 16.477 20.247 ( 6.250 4.454 -10.691) 13.161 20.655 ( 2.410 1.039 -2.590) 3.687 20.994 ( -5.230 5.002 3.448) 8.016 21.058 ( -3.676 7.295 6.611) 10.509 ======================= Grid point 95 (61/156) ======================= q-point: ( 0.05 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( -5.726 -9.592 1.839) 11.321 2.699 ( 8.215 -11.420 -0.318) 14.072 2.800 ( -9.559 -10.444 -9.957) 17.308 3.180 ( 3.035 -4.575 -9.022) 10.562 3.787 ( -7.074 9.634 -3.263) 12.389 4.057 ( 1.363 19.471 7.840) 21.034 4.380 ( 4.547 8.147 -7.218) 11.796 5.008 ( 5.170 1.091 0.704) 5.331 6.068 ( -4.219 -8.154 -2.956) 9.645 6.324 ( 10.583 -15.396 0.234) 18.684 6.655 ( 5.439 -15.629 11.695) 20.264 7.036 ( -3.270 -17.882 -3.305) 18.476 7.280 ( -11.656 -35.422 -4.772) 37.595 7.344 ( 16.399 -29.751 1.678) 34.013 7.843 ( 1.561 -27.593 -11.161) 29.805 8.492 ( 10.737 -34.041 5.961) 36.189 9.400 ( 9.492 3.944 -16.479) 19.422 10.232 ( -23.809 -15.817 -25.625) 38.388 10.675 ( -8.974 4.119 10.547) 14.447 11.076 ( -44.619 7.737 -0.963) 45.295 11.437 ( 20.411 7.396 4.708) 22.214 12.410 ( 24.817 -1.056 -5.540) 25.450 13.019 ( -0.055 -1.780 51.368) 51.398 13.528 ( -10.390 -2.326 30.100) 31.927 15.059 ( 11.143 -15.788 -25.566) 32.048 15.653 ( -4.110 -7.492 -36.570) 37.555 16.019 ( -29.314 -11.386 2.718) 31.565 16.770 ( 17.435 11.971 4.081) 21.539 16.921 ( 4.354 6.818 2.810) 8.564 17.231 ( 9.626 2.048 10.034) 14.055 18.348 ( -14.114 2.237 -4.359) 14.941 18.437 ( 15.713 11.832 -0.905) 19.691 20.427 ( 7.946 10.443 -0.924) 13.155 20.669 ( 1.861 8.589 -2.312) 9.087 20.869 ( -2.250 5.056 0.332) 5.544 21.024 ( -3.716 13.354 6.063) 15.129 ======================= Grid point 96 (62/156) ======================= q-point: ( 0.05 -0.05 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -22.978 -13.817 0.000) 26.812 1.597 ( -19.196 -23.670 -0.000) 30.476 2.809 ( -48.281 -8.617 0.000) 49.044 2.845 ( -4.308 -17.271 -0.000) 17.800 2.990 ( -1.979 -16.384 -0.000) 16.504 3.410 ( -5.123 5.231 0.000) 7.322 4.096 ( -20.039 -11.884 0.000) 23.298 4.200 ( -35.600 -34.376 0.000) 49.488 5.350 ( -7.583 3.150 0.000) 8.211 5.624 ( -32.088 -4.521 0.000) 32.405 6.365 ( -10.302 1.466 0.000) 10.406 6.428 ( 8.537 -0.642 -0.000) 8.561 6.884 ( -12.188 -19.399 -0.000) 22.910 7.108 ( -12.559 -14.724 -0.000) 19.352 7.586 ( -4.530 -21.315 -0.000) 21.791 7.898 ( 2.930 1.658 -0.000) 3.367 8.718 ( -5.625 -5.673 -0.000) 7.988 8.755 ( -10.923 -3.247 0.000) 11.396 8.930 ( -1.764 -1.112 0.000) 2.085 9.697 ( 4.444 3.211 -0.000) 5.483 13.117 ( 10.518 7.958 -0.000) 13.190 13.371 ( 5.482 -3.450 -0.000) 6.477 13.913 ( -2.761 4.748 0.000) 5.493 13.992 ( 3.107 12.269 0.000) 12.656 14.154 ( -13.667 -3.122 0.000) 14.019 14.482 ( -4.878 -13.516 -0.000) 14.369 14.541 ( -7.710 -10.925 -0.000) 13.371 17.618 ( 5.312 1.921 -0.000) 5.649 18.113 ( 8.860 3.033 -0.000) 9.365 18.139 ( 5.410 3.888 -0.000) 6.662 18.168 ( 27.393 15.523 -0.000) 31.485 19.420 ( 10.033 4.562 -0.000) 11.021 20.532 ( -11.144 -5.605 0.000) 12.474 20.917 ( 1.323 2.559 0.000) 2.881 20.952 ( 1.449 2.346 0.000) 2.758 21.351 ( 1.531 9.454 0.000) 9.577 ======================= Grid point 98 (63/156) ======================= q-point: ( 0.05 0.35 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 16.394 -20.362 1.718) 26.198 2.085 ( 13.086 -12.759 14.763) 23.494 2.696 ( 15.927 -9.935 4.847) 19.388 3.058 ( 10.270 -14.680 4.479) 18.467 3.371 ( 8.323 -4.599 13.894) 16.836 3.583 ( 11.756 -2.697 16.707) 20.606 3.920 ( 17.193 -11.021 -1.217) 20.458 4.260 ( 38.523 -28.577 -0.128) 47.965 4.999 ( 14.424 7.486 -18.816) 24.862 5.242 ( 14.040 2.745 -14.931) 20.678 5.895 ( 19.811 -33.913 -6.849) 39.868 6.159 ( 21.792 -23.921 -21.069) 38.613 6.619 ( 33.806 -5.373 -0.312) 34.231 7.047 ( 8.012 -8.212 -11.520) 16.258 7.076 ( 15.582 -13.557 -6.473) 21.644 7.697 ( -0.986 -1.844 -10.513) 10.719 8.608 ( 0.948 -3.137 -7.771) 8.433 8.890 ( 11.108 1.760 -3.687) 11.836 10.225 ( 2.450 -4.002 67.430) 67.593 11.690 ( -37.436 15.370 56.502) 69.499 12.540 ( -10.172 0.821 -34.727) 36.195 12.668 ( -1.481 7.398 -29.321) 30.277 12.821 ( -1.201 8.904 -14.585) 17.131 13.235 ( 0.209 -7.917 -6.310) 10.126 14.257 ( 8.233 -8.338 6.343) 13.325 15.709 ( 1.863 -4.846 29.957) 30.403 15.783 ( 6.900 -2.073 29.752) 30.612 17.165 ( -4.853 1.428 -23.968) 24.496 17.821 ( -13.700 0.444 -9.959) 16.943 18.027 ( -26.238 21.419 -7.958) 34.793 18.076 ( 2.880 6.635 -5.738) 9.233 19.411 ( -10.680 0.207 -2.183) 10.903 20.396 ( 18.026 -3.311 -26.466) 32.192 20.517 ( 11.255 -4.972 -1.052) 12.349 21.050 ( -1.577 1.937 5.061) 5.644 21.075 ( -1.325 2.284 5.436) 6.044 ======================= Grid point 99 (64/156) ======================= q-point: ( 0.05 0.55 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 10.587 -13.892 -2.271) 17.613 2.504 ( 1.308 -14.043 2.557) 14.334 2.756 ( -2.805 -9.311 -2.259) 9.984 3.250 ( -2.060 -12.299 -3.504) 12.954 4.012 ( 11.961 9.415 6.386) 16.507 4.235 ( -2.038 14.189 -0.672) 14.350 4.615 ( 10.960 -4.832 5.496) 13.179 4.766 ( 3.048 8.482 -6.569) 11.153 5.697 ( 20.978 -7.951 -0.317) 22.437 5.801 ( 14.985 -17.805 -4.966) 23.796 6.039 ( 9.473 -25.385 2.473) 27.208 6.666 ( 3.156 3.860 -0.842) 5.056 6.899 ( -1.419 -13.773 -11.932) 18.278 7.015 ( 6.427 -19.409 -4.586) 20.954 7.549 ( 0.813 -25.910 -12.004) 28.567 7.711 ( 3.806 -12.383 -1.196) 13.010 9.507 ( 18.008 1.565 -12.479) 21.965 9.937 ( 60.342 0.957 0.458) 60.352 11.153 ( -19.668 -2.996 -19.699) 27.997 11.278 ( -26.542 0.222 24.519) 36.135 11.819 ( 1.054 1.943 59.157) 59.198 12.153 ( -33.026 11.127 -2.635) 34.950 12.261 ( 9.435 1.766 -17.168) 19.669 13.047 ( -8.072 -11.780 14.338) 20.237 14.853 ( 23.643 -9.741 -14.482) 29.388 16.129 ( -12.350 -4.637 18.773) 22.945 16.355 ( -5.368 -2.028 -31.818) 32.331 16.591 ( 7.036 -0.785 16.895) 18.318 17.045 ( -8.103 2.023 -7.515) 11.235 17.173 ( -7.908 17.173 0.744) 18.921 18.327 ( 12.381 5.226 -0.116) 13.439 18.761 ( -13.886 -2.569 -10.294) 17.476 20.518 ( 6.855 6.315 -6.650) 11.449 20.769 ( 3.851 2.489 -2.007) 5.005 21.011 ( -2.503 4.038 0.657) 4.796 21.147 ( -2.196 6.410 7.786) 10.321 ======================= Grid point 100 (65/156) ======================= q-point: ( 0.05 -0.25 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( -15.286 -9.737 -11.720) 21.583 2.261 ( -13.282 -14.889 -4.156) 20.380 2.646 ( 6.996 -13.548 -1.553) 15.326 2.971 ( 3.352 -18.944 -10.053) 21.707 3.783 ( -9.531 8.576 -6.203) 14.243 4.246 ( -19.225 10.190 9.978) 23.937 4.594 ( -3.499 2.019 1.927) 4.476 5.085 ( -0.720 4.099 -1.088) 4.302 5.707 ( -14.136 -17.287 5.446) 22.985 6.010 ( -5.761 -5.058 1.812) 7.877 6.343 ( -2.361 -16.132 15.864) 22.748 6.678 ( 0.886 0.217 -7.345) 7.402 6.860 ( -0.766 -12.298 -2.439) 12.560 7.194 ( 11.626 -14.803 2.458) 18.983 7.440 ( 4.901 -19.280 -6.411) 20.900 8.065 ( 4.930 -22.699 4.503) 23.661 9.426 ( -8.162 -8.498 -23.995) 26.732 9.696 ( -12.125 -1.591 -29.613) 32.038 10.028 ( -46.440 -0.522 3.301) 46.560 10.153 ( -39.000 3.420 -3.243) 39.284 12.292 ( 34.961 8.335 1.829) 35.987 12.774 ( 20.582 -7.159 -1.236) 21.826 13.094 ( 5.030 2.646 49.658) 49.982 13.469 ( -2.640 5.216 39.933) 40.359 14.958 ( 1.775 -10.529 -28.984) 30.888 15.238 ( -27.844 -5.685 -3.434) 28.625 15.406 ( -6.357 -5.801 -39.072) 40.009 17.154 ( 10.940 3.969 10.671) 15.790 17.289 ( 13.663 7.745 2.819) 15.957 17.519 ( 11.096 4.189 12.815) 17.461 18.164 ( -3.955 -0.514 -8.353) 9.256 18.911 ( 14.927 4.857 -0.113) 15.698 20.720 ( 3.610 4.256 0.013) 5.581 20.827 ( 0.987 3.548 0.495) 3.716 20.939 ( 0.385 4.563 -3.068) 5.512 21.208 ( -2.582 9.926 10.490) 14.671 ======================= Grid point 101 (66/156) ======================= q-point: ( 0.10 -0.10 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -24.853 0.026 0.000) 24.853 1.151 ( -27.098 -0.669 0.000) 27.106 2.647 ( -4.581 -3.719 0.000) 5.901 2.767 ( 1.866 -1.681 -0.000) 2.512 2.872 ( -58.616 4.704 0.000) 58.805 3.513 ( -6.933 1.531 0.000) 7.101 3.816 ( -32.751 3.037 0.000) 32.891 3.896 ( -20.192 -3.932 0.000) 20.571 5.440 ( -24.622 6.493 0.000) 25.464 5.506 ( -33.851 -4.465 0.000) 34.145 6.390 ( -0.123 -9.548 -0.000) 9.549 6.601 ( 4.252 12.719 0.000) 13.411 6.627 ( -11.521 4.007 0.000) 12.198 6.910 ( -13.404 -4.107 0.000) 14.019 7.241 ( 6.453 -4.968 -0.000) 8.144 7.927 ( 2.433 0.591 -0.000) 2.504 8.664 ( -4.322 -0.226 0.000) 4.328 8.704 ( -7.832 -1.700 0.000) 8.014 8.945 ( -3.506 1.913 0.000) 3.994 9.734 ( 3.951 0.270 -0.000) 3.960 13.223 ( 8.826 -0.198 -0.000) 8.829 13.305 ( 7.750 0.205 -0.000) 7.752 13.907 ( -15.187 -2.233 0.000) 15.351 14.175 ( 1.774 -6.999 -0.000) 7.220 14.272 ( -3.908 11.435 0.000) 12.084 14.286 ( -3.395 6.965 0.000) 7.748 14.329 ( -4.772 -10.255 -0.000) 11.311 17.638 ( 5.699 0.049 -0.000) 5.699 18.148 ( 7.133 -1.651 -0.000) 7.321 18.170 ( 6.986 2.249 -0.000) 7.339 18.348 ( 31.308 0.213 -0.000) 31.308 19.464 ( 9.932 0.087 -0.000) 9.932 20.471 ( -14.302 0.108 0.000) 14.302 20.937 ( 0.820 -0.423 -0.000) 0.923 20.977 ( 0.029 0.157 0.000) 0.160 21.465 ( 0.428 -0.144 -0.000) 0.452 ======================= Grid point 102 (67/156) ======================= q-point: ( 0.10 0.10 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( -0.000 0.000 18.584) 18.584 0.371 ( -0.000 0.000 18.584) 18.584 1.250 ( -0.000 0.000 62.124) 62.124 2.592 ( -0.000 0.000 2.786) 2.786 2.779 ( -0.000 0.000 7.698) 7.698 3.029 ( 0.000 -0.000 -4.223) 4.223 3.029 ( 0.000 -0.000 -4.223) 4.223 3.401 ( -0.000 0.000 1.997) 1.997 3.401 ( -0.000 0.000 1.997) 1.997 4.506 ( -0.000 0.000 0.053) 0.053 4.527 ( -0.000 0.000 0.418) 0.418 6.205 ( 0.000 -0.000 -23.644) 23.644 6.205 ( 0.000 -0.000 -23.644) 23.644 6.903 ( -0.000 0.000 7.400) 7.400 6.903 ( -0.000 0.000 7.400) 7.400 7.949 ( 0.000 -0.000 -6.237) 6.237 8.685 ( 0.000 -0.000 -2.577) 2.577 8.918 ( 0.000 -0.000 -4.977) 4.977 9.040 ( -0.000 0.000 43.238) 43.238 13.082 ( 0.000 -0.000 -19.447) 19.447 13.082 ( 0.000 -0.000 -19.447) 19.447 13.457 ( 0.000 -0.000 -34.726) 34.726 13.457 ( 0.000 -0.000 -34.726) 34.726 13.824 ( -0.000 0.000 13.772) 13.772 13.824 ( -0.000 0.000 13.772) 13.772 14.985 ( -0.000 0.000 36.348) 36.348 14.985 ( -0.000 0.000 36.348) 36.348 17.643 ( 0.000 -0.000 -11.749) 11.749 18.233 ( 0.000 -0.000 -6.047) 6.047 18.256 ( 0.000 -0.000 -6.442) 6.442 18.831 ( -0.000 0.000 2.140) 2.140 19.521 ( 0.000 -0.000 -1.676) 1.676 19.675 ( 0.000 -0.000 -0.238) 0.238 19.675 ( 0.000 -0.000 -0.238) 0.238 20.990 ( -0.000 0.000 3.961) 3.961 21.004 ( -0.000 0.000 3.795) 3.795 ======================= Grid point 103 (68/156) ======================= q-point: ( 0.10 0.30 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 20.278 0.176 5.438) 20.995 1.978 ( 15.386 0.884 10.149) 18.453 2.697 ( 15.686 5.257 4.676) 17.192 2.823 ( 10.098 -4.848 4.838) 12.201 3.270 ( 9.425 -1.008 27.264) 28.865 3.564 ( 14.381 -0.620 4.825) 15.182 3.860 ( 26.121 -4.490 0.374) 26.506 3.932 ( 32.232 5.155 5.598) 33.118 5.176 ( 24.629 3.794 -18.296) 30.915 5.324 ( 24.775 -1.442 -10.962) 27.130 5.384 ( 20.085 -2.885 -18.943) 27.759 5.855 ( 19.758 -0.362 -21.262) 29.027 6.572 ( 42.957 -0.205 -1.116) 42.972 6.929 ( 0.204 -0.685 -3.383) 3.458 6.991 ( 6.269 1.346 -9.832) 11.738 7.679 ( -2.544 -0.297 -12.699) 12.955 8.595 ( 1.781 1.450 -9.320) 9.598 8.900 ( 10.582 -1.017 -2.002) 10.817 10.184 ( 0.803 -0.010 68.365) 68.370 11.843 ( -42.615 -0.122 55.409) 69.902 12.546 ( -9.637 -0.449 -34.479) 35.804 12.745 ( -1.882 0.214 -31.021) 31.079 13.027 ( 4.626 2.747 -11.694) 12.873 13.054 ( -7.508 -2.489 -6.191) 10.044 14.178 ( 7.360 0.864 4.774) 8.815 15.657 ( 1.207 -0.212 30.554) 30.579 15.761 ( 6.535 -0.005 30.032) 30.734 17.178 ( -5.635 -0.051 -24.185) 24.832 17.814 ( -12.868 -0.173 -11.016) 16.941 18.133 ( 2.352 -0.578 -5.070) 5.619 18.298 ( -31.150 0.321 -1.867) 31.207 19.382 ( -8.310 0.073 -8.677) 12.015 20.359 ( 24.535 -0.501 -26.144) 35.857 20.462 ( 15.065 0.336 -1.206) 15.117 21.071 ( -0.808 0.114 4.955) 5.021 21.099 ( -0.195 0.081 5.367) 5.372 ======================= Grid point 104 (69/156) ======================= q-point: ( 0.10 0.50 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 13.033 -1.550 -1.715) 13.236 2.351 ( 3.135 2.875 -3.190) 5.317 2.670 ( -7.135 -0.685 4.072) 8.244 3.089 ( -1.363 0.487 -0.680) 1.599 4.098 ( 11.967 -1.030 4.792) 12.932 4.388 ( 1.934 -2.357 -3.835) 4.900 4.520 ( 10.716 -1.315 8.945) 14.021 5.033 ( 0.547 14.088 1.362) 14.165 5.537 ( 12.541 -3.026 -7.991) 15.175 5.624 ( 20.129 -13.409 0.294) 24.188 5.723 ( 17.627 7.049 -3.406) 19.288 6.645 ( 13.568 -7.173 -10.060) 18.351 6.801 ( 2.020 -1.760 -5.196) 5.846 6.895 ( -8.720 10.210 -1.214) 13.482 7.183 ( 7.581 -5.027 -11.799) 14.898 7.629 ( -1.955 2.819 -4.640) 5.771 9.513 ( 16.482 -0.819 -10.332) 19.470 9.966 ( 64.371 2.011 -1.136) 64.413 11.112 ( -20.398 -1.197 -6.312) 21.386 11.264 ( -28.697 -0.902 13.907) 31.902 11.847 ( -1.531 -0.330 57.792) 57.813 12.272 ( -9.904 0.641 -10.669) 14.571 12.314 ( -22.301 1.685 -9.271) 24.210 12.897 ( -0.437 -1.065 14.542) 14.587 14.759 ( 24.777 0.462 -16.650) 29.855 16.079 ( -13.167 -0.260 19.051) 23.159 16.334 ( -6.324 0.072 -32.170) 32.785 16.582 ( 7.723 0.417 19.410) 20.894 17.065 ( -5.458 0.182 -8.244) 9.888 17.369 ( -13.714 -0.628 4.993) 14.608 18.373 ( 11.516 -0.164 0.033) 11.517 18.721 ( -10.828 0.062 -15.257) 18.709 20.580 ( 7.389 -0.508 -6.424) 9.805 20.792 ( 4.448 0.024 -1.960) 4.860 21.059 ( -1.868 0.696 0.245) 2.009 21.211 ( -1.255 -0.169 8.169) 8.267 ======================= Grid point 105 (70/156) ======================= q-point: ( 0.10 -0.30 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( -13.222 -3.405 -7.967) 15.808 2.076 ( -16.159 1.514 -5.745) 17.217 2.539 ( 4.061 3.859 -2.654) 6.199 2.724 ( 0.054 -1.745 -12.759) 12.878 3.878 ( -8.603 -0.508 -5.447) 10.195 4.372 ( -16.253 1.970 9.963) 19.165 4.653 ( -10.373 1.331 3.238) 10.948 5.073 ( -20.043 -4.389 -0.576) 20.526 5.608 ( 2.346 11.736 0.730) 11.990 5.909 ( -2.419 -6.510 6.978) 9.846 6.140 ( -1.648 -4.049 19.410) 19.896 6.645 ( 4.565 -8.329 -11.286) 14.751 6.786 ( -0.563 4.885 -6.798) 8.390 6.988 ( 10.477 -2.841 2.101) 11.057 7.350 ( 2.385 14.820 -2.122) 15.160 7.783 ( 7.115 -7.100 2.438) 10.343 9.338 ( -10.723 -0.789 -22.583) 25.012 9.659 ( -16.725 -2.099 -28.123) 32.787 10.020 ( -45.655 0.178 4.495) 45.876 10.219 ( -34.866 2.805 -7.976) 35.877 12.379 ( 40.608 -1.561 1.372) 40.662 12.686 ( 16.491 0.811 -0.513) 16.519 13.124 ( 5.100 -0.245 51.606) 51.858 13.529 ( -1.183 0.099 44.289) 44.305 14.821 ( -0.493 -2.703 -30.074) 30.199 15.203 ( -25.162 2.121 -6.557) 26.088 15.344 ( -6.865 0.086 -40.795) 41.369 17.198 ( 9.682 1.090 11.816) 15.314 17.382 ( 15.243 0.420 1.446) 15.317 17.563 ( 9.187 -0.992 15.706) 18.223 18.149 ( -0.843 0.093 -12.130) 12.160 18.957 ( 14.672 0.028 0.406) 14.678 20.764 ( 0.420 0.507 0.117) 0.669 20.850 ( 2.466 -1.484 -0.162) 2.883 20.993 ( 0.235 0.552 -2.775) 2.839 21.316 ( -2.540 0.315 11.947) 12.218 ======================= Grid point 112 (71/156) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 15.129 14.255 33.034) 39.030 1.913 ( 13.162 13.127 0.492) 18.596 3.089 ( 20.783 11.314 0.229) 23.664 3.215 ( 2.705 4.176 0.643) 5.016 3.359 ( 11.012 23.207 0.655) 25.696 3.504 ( 11.140 12.936 8.394) 19.023 4.212 ( 12.613 2.882 -3.125) 13.309 5.011 ( 37.399 45.834 -1.214) 59.168 5.183 ( -3.315 -5.199 -9.714) 11.506 5.519 ( 6.167 5.408 -12.851) 15.246 6.430 ( 15.999 4.688 3.898) 17.122 6.587 ( 1.466 9.756 -1.063) 9.922 7.120 ( 13.058 21.213 -16.445) 29.849 7.530 ( 18.228 30.014 -4.957) 35.464 7.688 ( 35.367 14.877 -9.782) 39.596 7.841 ( 1.223 5.118 -2.809) 5.965 8.824 ( 12.423 1.771 -2.041) 12.714 8.962 ( 0.788 9.215 -3.402) 9.855 9.306 ( 10.588 11.205 37.974) 40.984 10.217 ( -15.342 -14.289 50.637) 54.805 12.831 ( -10.409 -10.488 -8.968) 17.285 13.250 ( -6.331 -1.780 -32.686) 33.341 13.263 ( -1.232 -7.579 -38.456) 39.215 13.407 ( -1.808 -0.667 -6.727) 6.998 14.384 ( 17.670 15.100 3.945) 23.576 15.201 ( 4.471 8.261 33.490) 34.782 15.223 ( 8.189 5.815 33.563) 35.034 17.453 ( -4.247 -3.746 -11.545) 12.859 17.698 ( -21.790 -22.224 -6.419) 31.779 17.988 ( -5.210 -5.938 -4.513) 9.098 18.014 ( -6.691 -4.777 -4.254) 9.257 19.289 ( -9.741 -9.454 1.006) 13.612 20.645 ( 5.376 5.339 -0.897) 7.629 20.836 ( -4.491 -5.217 -5.060) 8.543 20.922 ( -3.948 -3.610 3.040) 6.153 20.993 ( -2.251 -2.360 -11.345) 11.804 ======================= Grid point 113 (72/156) ======================= q-point: ( 0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 10.220 8.222 -1.804) 13.240 2.802 ( 8.298 12.548 12.192) 19.364 2.945 ( -9.885 12.205 -1.207) 15.752 3.426 ( 0.770 -2.639 11.073) 11.410 3.657 ( 5.832 -0.965 -6.690) 8.927 3.940 ( 0.282 -13.945 -1.300) 14.009 4.486 ( 4.782 -3.155 3.484) 6.705 5.056 ( 0.308 -1.958 0.673) 2.093 5.819 ( 19.470 12.768 -2.388) 23.405 6.389 ( -2.342 16.315 -9.569) 19.058 6.508 ( 6.436 28.074 -3.485) 29.012 6.844 ( 16.080 16.417 -0.930) 22.999 7.131 ( 5.561 11.340 1.811) 12.759 7.643 ( -11.579 36.959 -2.387) 38.804 7.984 ( 6.639 23.298 6.963) 25.206 8.440 ( -2.331 29.779 -12.342) 32.319 9.745 ( 30.219 0.821 -15.360) 33.908 10.035 ( 56.473 -1.924 0.319) 56.506 10.331 ( -19.182 -6.299 37.970) 43.004 10.679 ( 10.976 12.044 53.062) 55.508 11.985 ( -23.931 -10.746 -13.888) 29.682 12.152 ( -14.191 1.384 -37.770) 40.372 12.715 ( 10.141 -2.416 -30.229) 31.976 13.014 ( -19.852 7.181 8.851) 22.891 15.321 ( 25.120 14.995 -4.331) 29.574 15.806 ( -4.324 9.770 26.292) 28.380 16.178 ( 8.146 3.799 29.362) 30.707 16.793 ( -6.568 -9.028 -13.921) 17.845 16.969 ( -8.730 -7.263 -14.406) 18.343 17.230 ( -15.932 -0.310 -10.794) 19.247 18.161 ( 11.258 -9.983 0.816) 15.068 18.772 ( -16.178 -9.393 0.263) 18.709 20.522 ( -1.291 -9.122 -8.258) 12.372 20.718 ( -0.290 -5.672 0.092) 5.681 20.859 ( -1.835 -9.177 1.472) 9.473 20.895 ( -0.996 -7.935 1.528) 8.141 ======================= Grid point 114 (73/156) ======================= q-point: ( 0.10 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( -11.036 8.410 0.086) 13.876 2.618 ( -1.023 11.238 -9.670) 14.861 3.087 ( 1.641 13.214 2.437) 13.537 3.415 ( -5.042 -1.783 -3.521) 6.403 3.698 ( 1.165 2.207 -7.278) 7.694 3.971 ( 3.989 -19.697 7.384) 21.410 4.499 ( -11.263 -2.404 -9.845) 15.151 4.953 ( -3.887 0.657 11.492) 12.150 5.896 ( -18.595 10.757 1.312) 21.523 6.318 ( 2.469 22.489 -0.085) 22.625 6.477 ( 2.002 14.777 3.997) 15.438 6.776 ( -21.902 26.762 -3.941) 34.806 7.294 ( 0.123 7.080 6.431) 9.566 7.699 ( 8.757 39.566 3.303) 40.658 8.003 ( -6.481 19.729 -5.988) 21.612 8.375 ( 0.803 33.302 11.624) 35.281 9.739 ( -28.969 -1.611 -3.253) 29.196 9.832 ( -36.160 -3.431 6.323) 36.868 10.544 ( -4.614 -4.837 -27.499) 28.300 10.678 ( -10.815 13.502 -52.750) 55.514 11.980 ( 30.805 -12.981 4.410) 33.719 12.121 ( 9.211 3.968 46.800) 47.863 12.668 ( -7.309 -1.446 26.814) 27.830 13.063 ( 17.056 5.845 -5.337) 18.803 15.232 ( -22.859 14.307 -0.224) 26.968 15.864 ( 1.817 10.315 -21.860) 24.240 16.170 ( -8.061 3.786 -27.960) 29.344 16.833 ( 4.768 -11.365 11.242) 16.682 16.990 ( 7.362 -3.782 18.414) 20.189 17.201 ( 18.800 -1.189 8.572) 20.696 18.162 ( -11.157 -10.129 -0.823) 15.091 18.775 ( 16.295 -9.275 -0.113) 18.750 20.504 ( 2.172 -9.610 5.109) 11.098 20.732 ( -0.315 -5.205 2.277) 5.690 20.867 ( 1.431 -8.255 -0.724) 8.409 20.886 ( 1.003 -8.906 -1.734) 9.128 ======================= Grid point 116 (74/156) ======================= q-point: ( 0.10 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 10.746 23.431 0.000) 25.778 1.972 ( 19.095 18.402 -0.000) 26.519 2.801 ( 16.804 -0.075 -0.000) 16.804 2.897 ( 20.600 -4.990 -0.000) 21.195 3.567 ( -8.372 7.460 0.000) 11.213 3.894 ( 0.000 43.104 0.000) 43.104 4.249 ( 0.633 9.891 0.000) 9.911 4.902 ( 29.808 24.928 -0.000) 38.858 5.781 ( -4.594 10.055 0.000) 11.055 5.889 ( -17.421 14.292 0.000) 22.534 6.077 ( 12.796 -4.420 -0.000) 13.538 6.606 ( 1.270 -4.981 -0.000) 5.140 7.175 ( 26.095 1.055 -0.000) 26.117 7.271 ( 19.425 -5.415 -0.000) 20.166 7.695 ( 32.353 22.462 -0.000) 39.386 7.837 ( -2.167 -4.138 -0.000) 4.671 8.867 ( 6.984 11.286 0.000) 13.272 8.942 ( -2.368 20.615 0.000) 20.751 9.332 ( 6.301 29.624 0.000) 30.287 9.694 ( -2.198 5.736 0.000) 6.143 12.822 ( -9.750 -19.785 -0.000) 22.057 13.170 ( 6.422 -15.754 -0.000) 17.012 13.864 ( -13.353 -3.255 0.000) 13.744 13.929 ( -12.383 0.913 0.000) 12.416 14.446 ( 8.377 10.342 0.000) 13.309 14.656 ( 15.643 6.022 -0.000) 16.762 14.748 ( 12.096 19.436 0.000) 22.892 17.506 ( -0.342 -6.641 -0.000) 6.650 17.641 ( -12.291 -22.441 -0.000) 25.587 17.898 ( -5.712 -12.624 -0.000) 13.856 18.085 ( 0.823 -3.704 -0.000) 3.794 19.194 ( -4.547 -13.167 -0.000) 13.930 20.708 ( 1.826 6.028 0.000) 6.299 20.835 ( -5.895 -4.362 0.000) 7.334 20.936 ( -3.835 -0.975 0.000) 3.957 21.334 ( -11.027 -0.193 0.000) 11.028 ======================= Grid point 117 (75/156) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( 8.260 8.767 0.555) 12.058 2.397 ( 17.252 14.284 19.931) 29.982 3.138 ( -4.435 -3.034 1.233) 5.513 3.476 ( 7.715 2.721 -1.402) 8.300 3.703 ( -8.913 3.242 -7.252) 11.939 3.961 ( -6.317 11.194 8.582) 15.455 4.091 ( 3.626 -20.679 0.884) 21.013 5.014 ( -0.710 0.788 -0.988) 1.449 5.873 ( 11.528 13.478 -5.597) 18.598 6.626 ( 5.068 2.040 3.397) 6.433 6.786 ( 35.453 29.085 -3.106) 45.961 6.832 ( 18.253 16.409 -1.965) 24.623 7.357 ( -4.714 6.213 -4.966) 9.245 8.025 ( 7.948 8.559 3.130) 12.093 8.656 ( -3.616 44.738 4.449) 45.104 8.827 ( 54.543 -2.347 -1.417) 54.612 9.327 ( 29.746 6.509 -8.476) 31.607 9.351 ( 5.942 24.585 -5.661) 25.918 9.747 ( -6.791 0.780 26.778) 27.637 10.008 ( 15.788 20.027 29.153) 38.733 12.258 ( -18.012 -18.820 -5.107) 26.546 13.110 ( -4.876 -1.436 -25.138) 25.647 13.143 ( 3.538 -4.676 -34.296) 34.794 13.237 ( -8.794 -4.536 -7.018) 12.131 15.146 ( 23.518 17.050 3.503) 29.258 15.475 ( 3.693 9.861 27.999) 29.914 15.550 ( 10.262 9.477 25.052) 28.683 16.964 ( -12.140 -12.426 -9.015) 19.572 17.328 ( -5.081 -2.701 -9.504) 11.110 17.744 ( -1.983 -11.433 -3.229) 12.044 17.768 ( -11.010 -2.484 -3.155) 11.719 18.805 ( -15.148 -14.743 1.544) 21.195 20.541 ( -6.360 -10.392 -1.851) 12.323 20.642 ( -8.783 -5.570 2.418) 10.678 20.783 ( -1.271 -1.599 0.066) 2.044 20.806 ( -6.374 -5.798 -4.948) 9.936 ======================= Grid point 118 (76/156) ======================= q-point: ( 0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( 8.940 3.033 0.507) 9.454 2.811 ( -12.836 3.502 -3.016) 13.642 3.172 ( 3.750 -2.249 6.573) 7.895 3.220 ( 1.812 -5.646 4.708) 7.571 3.485 ( -5.652 -16.271 -2.470) 17.401 3.778 ( 4.012 0.475 -1.040) 4.172 4.524 ( 3.404 0.050 8.220) 8.898 4.951 ( -5.586 -3.958 0.705) 6.882 6.335 ( 5.439 10.726 3.681) 12.577 6.559 ( -4.712 9.916 -2.134) 11.184 6.759 ( -4.180 15.455 -7.295) 17.594 7.274 ( 2.576 3.361 2.957) 5.165 8.127 ( -23.600 44.671 2.605) 50.589 8.206 ( 22.784 47.073 0.963) 52.306 8.587 ( 8.237 24.021 14.001) 28.998 8.912 ( -9.312 28.085 -15.043) 33.193 9.759 ( -19.978 -7.057 28.973) 35.893 10.201 ( 14.494 -9.120 -25.956) 31.096 10.885 ( 39.519 -14.491 3.008) 42.200 11.082 ( -28.957 -15.294 -6.658) 33.418 11.293 ( 11.245 22.853 37.765) 45.551 12.175 ( -5.174 14.321 -47.148) 49.546 12.607 ( -24.681 -1.468 15.489) 29.176 13.047 ( 20.410 1.095 -24.621) 31.999 15.803 ( -7.717 16.864 15.356) 24.079 16.221 ( 15.572 16.027 -4.487) 22.792 16.367 ( 6.167 -0.266 25.518) 26.254 16.581 ( -15.477 0.631 -1.091) 15.528 16.719 ( 5.253 -4.053 -5.977) 8.930 16.962 ( -7.778 -0.019 -13.569) 15.640 18.158 ( -16.590 -18.516 1.745) 24.922 18.187 ( 16.679 -17.007 -0.783) 23.834 20.289 ( -4.430 -7.022 1.838) 8.504 20.520 ( 0.646 -9.719 2.117) 9.968 20.685 ( 2.745 -9.522 -2.880) 10.320 20.716 ( 0.168 -8.457 -1.871) 8.663 ======================= Grid point 119 (77/156) ======================= q-point: ( 0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( -8.896 8.131 -0.350) 12.057 2.780 ( -7.473 12.328 -16.394) 21.831 3.164 ( 1.875 -4.994 -0.905) 5.411 3.417 ( 3.310 8.752 4.973) 10.597 3.542 ( -3.986 -12.442 8.183) 15.416 4.043 ( 6.366 -9.439 0.242) 11.388 4.245 ( -4.647 9.466 -13.618) 17.224 4.954 ( 0.485 3.595 5.247) 6.379 5.787 ( -18.972 16.212 2.162) 25.049 6.620 ( -7.236 4.528 6.054) 10.465 6.726 ( -13.060 26.581 2.253) 29.701 6.799 ( -26.738 21.489 1.098) 34.320 7.265 ( -7.456 0.407 3.432) 8.218 8.133 ( -15.421 15.048 -7.315) 22.754 8.694 ( -51.034 2.878 1.298) 51.131 8.761 ( -7.085 53.488 6.078) 54.296 9.110 ( -0.289 24.871 12.306) 27.751 9.172 ( -20.090 1.789 10.827) 22.892 10.473 ( 12.672 -15.297 -44.278) 48.529 10.803 ( -13.714 12.681 -50.512) 53.855 12.115 ( 15.767 -16.570 9.850) 24.903 12.419 ( 6.912 6.944 35.526) 36.853 12.425 ( -5.203 -6.027 34.938) 35.833 13.337 ( 5.066 -6.085 -9.554) 12.408 15.184 ( -19.585 22.956 -1.294) 30.203 16.024 ( -6.802 2.688 -26.423) 27.417 16.077 ( -4.631 7.145 -26.134) 27.487 16.702 ( 11.899 -12.628 17.958) 24.971 17.038 ( 2.821 -3.680 20.612) 21.127 17.664 ( 5.545 -5.998 4.696) 9.422 17.687 ( 6.180 -5.478 4.905) 9.605 18.845 ( 14.674 -14.910 -2.439) 21.062 20.407 ( 4.638 -4.142 11.230) 12.836 20.665 ( 3.289 -3.422 0.968) 4.844 20.784 ( 6.370 -7.177 -3.535) 10.227 20.820 ( 5.611 -4.852 -3.641) 8.263 ======================= Grid point 121 (78/156) ======================= q-point: ( 0.10 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 15.552 16.047 0.000) 22.347 2.453 ( 2.906 12.374 0.000) 12.711 3.162 ( 18.347 -4.116 -0.000) 18.803 3.186 ( 9.147 -1.489 -0.000) 9.268 3.543 ( -0.357 -1.908 -0.000) 1.941 4.176 ( -12.573 1.519 0.000) 12.665 4.335 ( -18.801 6.323 0.000) 19.836 5.148 ( -5.963 2.295 0.000) 6.389 5.989 ( 6.730 8.576 0.000) 10.901 6.313 ( 15.531 -6.231 -0.000) 16.734 6.598 ( 9.807 -5.908 -0.000) 11.449 6.649 ( 41.567 29.618 -0.000) 51.040 7.441 ( 12.355 -6.800 -0.000) 14.103 7.726 ( 30.777 -12.867 -0.000) 33.358 7.882 ( 18.227 0.175 -0.000) 18.228 8.585 ( 36.132 -2.767 -0.000) 36.237 9.188 ( -3.976 5.804 0.000) 7.035 9.467 ( 21.076 21.403 0.000) 30.038 10.158 ( -3.366 44.993 0.000) 45.119 10.229 ( 5.745 42.320 0.000) 42.708 12.075 ( -11.065 -34.472 -0.000) 36.204 12.872 ( 2.003 -23.645 -0.000) 23.729 13.641 ( -5.312 2.706 0.000) 5.961 13.707 ( -10.211 2.026 0.000) 10.410 14.821 ( 16.328 0.403 -0.000) 16.333 15.069 ( 13.975 4.851 -0.000) 14.793 15.486 ( 13.150 28.625 0.000) 31.501 17.060 ( -11.899 -10.661 0.000) 15.976 17.370 ( -0.083 -6.947 -0.000) 6.948 17.438 ( -7.243 -20.560 -0.000) 21.798 18.090 ( -3.172 6.693 0.000) 7.407 18.750 ( -11.216 -16.100 -0.000) 19.622 20.526 ( -11.297 -8.408 0.000) 14.082 20.711 ( -6.356 -2.485 0.000) 6.825 20.841 ( -4.380 1.850 0.000) 4.755 21.070 ( -15.001 0.613 0.000) 15.014 ======================= Grid point 122 (79/156) ======================= q-point: ( 0.10 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 5.337 5.502 0.607) 7.689 2.898 ( 9.875 -0.005 6.555) 11.853 2.976 ( -5.260 -2.041 2.078) 6.012 3.226 ( -20.571 -8.788 -2.944) 22.562 3.414 ( -2.643 -6.995 -1.880) 7.710 3.693 ( -3.240 -2.191 5.704) 6.917 4.256 ( 7.995 5.882 9.788) 13.940 4.932 ( -7.132 -5.391 2.309) 9.234 6.345 ( 8.406 11.354 2.066) 14.277 6.683 ( 2.743 -1.835 0.282) 3.312 7.077 ( 12.264 0.056 -4.479) 13.057 7.334 ( -6.913 6.399 -2.549) 9.759 8.353 ( 8.901 9.095 12.030) 17.512 8.550 ( 42.701 39.784 -2.938) 58.436 9.003 ( -12.063 7.047 15.845) 21.125 9.571 ( 43.044 -16.143 2.082) 46.019 9.708 ( -8.176 21.676 4.645) 23.628 10.024 ( 8.178 16.417 -13.129) 22.556 10.038 ( 9.223 13.662 -10.942) 19.785 10.894 ( 22.386 24.808 20.699) 39.307 11.371 ( -25.004 -27.472 -3.917) 37.353 12.640 ( -17.780 -18.130 8.427) 26.755 13.264 ( 5.145 6.776 -31.293) 32.429 13.275 ( 6.507 4.600 -31.698) 32.684 15.674 ( 10.949 2.307 21.825) 24.526 15.707 ( 1.574 8.038 24.223) 25.570 16.238 ( 23.093 24.690 2.370) 33.889 16.730 ( 0.732 -1.052 -8.190) 8.290 17.134 ( -10.106 -2.406 -7.904) 13.053 17.465 ( 7.389 -21.160 -1.903) 22.493 17.486 ( -18.758 4.672 -2.108) 19.445 18.103 ( -20.492 -20.251 1.432) 28.846 20.247 ( -2.025 -8.712 1.779) 9.119 20.331 ( -10.269 -3.684 3.685) 11.516 20.591 ( -3.751 -3.812 -3.861) 6.596 20.680 ( -3.541 -3.710 -2.211) 5.585 ======================= Grid point 123 (80/156) ======================= q-point: ( 0.10 -0.70 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( -6.677 5.261 -0.150) 8.502 2.953 ( 3.349 -5.800 2.322) 7.089 2.999 ( 10.199 -1.808 2.753) 10.718 3.118 ( 5.511 -11.117 0.541) 12.420 3.436 ( -2.811 6.364 -0.612) 6.985 3.787 ( 2.665 -6.028 3.448) 7.438 4.591 ( -3.354 1.416 -1.211) 3.837 4.830 ( 4.284 0.254 7.650) 8.772 6.454 ( -10.784 10.424 -1.743) 15.099 6.623 ( -4.804 3.214 4.382) 7.253 6.895 ( -7.524 5.948 2.944) 10.033 7.337 ( 0.702 1.207 -3.962) 4.201 8.352 ( -36.057 36.808 6.196) 51.898 9.010 ( -8.583 17.343 -1.711) 19.427 9.150 ( -2.160 14.407 11.855) 18.782 9.215 ( -20.655 -1.715 13.731) 24.862 9.582 ( -43.304 -15.674 -6.751) 46.546 9.710 ( 15.692 50.364 -2.369) 52.805 10.590 ( 11.693 -19.578 -30.364) 37.973 11.139 ( 25.901 -24.958 6.438) 36.540 11.996 ( -0.071 16.087 25.823) 30.424 11.999 ( -16.525 1.409 24.593) 29.663 12.309 ( -10.676 10.408 -44.905) 47.316 13.325 ( 12.025 -12.373 -25.905) 31.125 16.074 ( -1.278 4.408 23.960) 24.396 16.114 ( -24.495 22.559 -1.343) 33.327 16.449 ( 1.974 -3.116 26.106) 26.365 16.601 ( -1.504 3.744 -15.331) 15.853 16.680 ( -6.330 3.831 -14.633) 16.397 17.379 ( 8.078 -2.572 1.662) 8.639 17.392 ( 3.004 -7.956 2.060) 8.750 18.184 ( 20.981 -21.083 -2.136) 29.820 20.148 ( -0.685 -0.326 6.323) 6.368 20.454 ( 6.513 -4.472 2.078) 8.169 20.597 ( 4.784 -7.165 -4.838) 9.880 20.625 ( 7.299 -5.970 -3.181) 9.952 ======================= Grid point 126 (81/156) ======================= q-point: ( 0.10 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 10.643 -3.118 -0.000) 11.091 2.698 ( 1.008 9.584 0.000) 9.637 3.196 ( -14.408 4.593 0.000) 15.122 3.244 ( 0.440 -7.686 -0.000) 7.698 3.384 ( 2.278 -1.582 -0.000) 2.773 3.785 ( -18.483 -7.639 0.000) 20.000 4.183 ( 1.925 8.934 0.000) 9.139 4.997 ( -12.334 -4.985 0.000) 13.303 6.297 ( 11.841 2.470 -0.000) 12.096 6.450 ( 10.628 -6.549 -0.000) 12.484 6.740 ( 14.788 -5.918 -0.000) 15.928 7.486 ( 3.733 -3.150 -0.000) 4.884 7.998 ( 28.135 -5.935 -0.000) 28.754 8.161 ( 51.685 6.925 -0.000) 52.147 8.414 ( 34.987 1.893 -0.000) 35.038 8.925 ( 0.878 -6.532 -0.000) 6.591 9.298 ( 25.677 -8.169 -0.000) 26.946 10.438 ( 28.151 23.497 -0.000) 36.669 10.826 ( -14.740 27.326 0.000) 31.048 11.019 ( -3.227 31.826 0.000) 31.989 11.051 ( -13.431 -38.286 -0.000) 40.574 12.301 ( -7.115 -28.683 -0.000) 29.553 13.643 ( -3.012 4.023 0.000) 5.026 13.874 ( 4.777 20.714 0.000) 21.257 15.084 ( 17.155 -7.317 -0.000) 18.651 15.370 ( 10.119 1.095 -0.000) 10.178 16.351 ( 16.386 27.543 0.000) 32.048 16.612 ( -5.086 -25.924 -0.000) 26.418 16.973 ( -0.893 -8.464 -0.000) 8.511 17.217 ( -1.741 -6.212 -0.000) 6.451 18.115 ( -18.781 -17.668 0.000) 25.786 18.186 ( -13.246 17.799 0.000) 22.187 20.150 ( -8.250 -7.117 0.000) 10.896 20.495 ( -10.088 -0.241 0.000) 10.090 20.778 ( -5.959 2.143 0.000) 6.333 20.816 ( -12.757 3.014 0.000) 13.109 ======================= Grid point 127 (82/156) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( -3.804 -5.027 1.272) 6.431 2.792 ( 3.804 5.027 1.272) 6.431 2.867 ( 3.568 -2.737 0.060) 4.497 2.867 ( -3.568 2.737 0.060) 4.497 3.551 ( -4.160 -6.725 3.909) 8.821 3.551 ( 4.160 6.725 3.909) 8.821 4.584 ( -10.320 -8.835 7.040) 15.301 4.584 ( 10.320 8.835 7.040) 15.301 6.621 ( -2.096 -6.083 2.330) 6.843 6.621 ( 2.096 6.083 2.330) 6.843 7.269 ( -2.057 -1.737 -3.302) 4.261 7.269 ( 2.057 1.737 -3.302) 4.261 8.726 ( -11.389 -7.146 14.762) 19.967 8.726 ( 11.389 7.146 14.762) 19.967 9.888 ( 33.322 -30.010 3.745) 45.000 9.888 ( -33.322 30.010 3.745) 45.000 9.980 ( -20.356 -26.075 -8.964) 34.273 9.980 ( 20.356 26.075 -8.964) 34.273 10.373 ( 4.283 -28.018 -11.284) 30.507 10.373 ( -4.283 28.018 -11.284) 30.507 11.820 ( -22.274 -23.017 14.218) 35.044 11.820 ( 22.274 23.017 14.218) 35.044 13.429 ( 9.108 -9.161 -29.914) 32.584 13.429 ( -9.108 9.161 -29.914) 32.584 15.817 ( 4.691 -4.547 23.008) 23.917 15.817 ( -4.691 4.547 23.008) 23.917 16.867 ( -9.695 -2.358 -7.127) 12.261 16.867 ( 9.695 2.358 -7.127) 12.261 17.212 ( -23.427 -24.542 0.822) 33.938 17.212 ( 23.427 24.542 0.822) 33.938 17.306 ( 21.693 -21.087 -1.493) 30.290 17.306 ( -21.693 21.087 -1.493) 30.290 20.162 ( 3.995 -3.420 3.581) 6.362 20.162 ( -3.995 3.420 3.581) 6.362 20.554 ( -1.836 -1.779 -3.524) 4.354 20.554 ( 1.836 1.779 -3.524) 4.354 ======================= Grid point 129 (83/156) ======================= q-point: ( 0.10 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( -4.995 8.436 1.359) 9.897 2.755 ( -3.115 -10.391 2.638) 11.164 3.241 ( 6.695 2.030 -0.903) 7.054 3.274 ( 6.705 0.467 0.094) 6.722 3.460 ( 14.616 -1.080 -0.212) 14.657 3.732 ( -3.862 3.002 2.938) 5.706 4.526 ( 1.623 -2.686 7.874) 8.476 4.999 ( 5.552 -0.331 -3.445) 6.542 6.370 ( -11.602 -0.494 0.385) 11.619 6.496 ( -10.317 3.558 3.679) 11.517 6.673 ( -16.964 0.224 1.049) 16.998 7.361 ( -2.073 1.527 -5.329) 5.919 8.151 ( -44.957 -5.408 2.136) 45.331 8.184 ( -47.107 7.099 1.227) 47.655 8.619 ( -25.573 -7.196 12.254) 29.256 8.891 ( -27.934 9.133 -14.119) 32.605 9.635 ( 9.650 13.305 28.451) 32.857 10.350 ( 8.165 -27.862 -28.411) 40.622 10.902 ( 12.045 0.070 3.109) 12.440 11.003 ( 16.500 7.911 -0.194) 18.300 11.311 ( -22.489 -11.870 36.439) 44.435 12.171 ( -14.034 4.844 -47.458) 49.726 12.609 ( 1.774 22.589 15.432) 27.415 13.045 ( -1.260 -18.490 -24.414) 30.652 15.770 ( -17.543 2.472 16.959) 24.525 16.230 ( -13.390 -13.058 -0.118) 18.703 16.373 ( -2.872 -5.503 18.076) 19.112 16.586 ( 4.345 12.360 0.562) 13.114 16.840 ( 1.148 8.309 -6.282) 10.480 16.857 ( -0.802 -0.946 -13.788) 13.843 18.161 ( 18.440 17.569 1.679) 25.525 18.184 ( 17.064 -17.542 -0.793) 24.486 20.258 ( 6.881 4.021 4.262) 9.038 20.564 ( 9.217 -0.652 -0.341) 9.247 20.664 ( 10.175 -1.418 -2.470) 10.567 20.721 ( 8.428 -1.274 -2.013) 8.758 ======================= Grid point 131 (84/156) ======================= q-point: ( 0.10 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 8.939 -2.245 -4.497) 10.255 2.566 ( 13.314 9.326 0.803) 16.275 2.687 ( 15.049 -2.506 -1.622) 15.342 3.007 ( 15.074 8.025 -11.511) 20.594 3.881 ( -12.476 4.526 -6.468) 14.764 4.410 ( -11.700 -2.223 4.012) 12.566 4.610 ( -8.763 -4.166 3.242) 10.231 5.282 ( -2.646 7.454 8.427) 11.558 5.780 ( 17.421 -9.086 -0.121) 19.648 5.923 ( 6.962 -9.376 -5.400) 12.866 6.191 ( 10.236 -4.720 11.444) 16.063 6.599 ( 12.253 14.297 -7.679) 20.334 6.813 ( 12.082 -17.353 -5.766) 21.916 6.984 ( 20.830 -11.031 -6.734) 24.514 7.644 ( 11.909 -4.502 -1.896) 12.872 7.747 ( 28.157 -7.854 0.133) 29.233 9.421 ( -1.877 -2.750 -12.597) 13.030 10.038 ( 3.625 25.742 -28.472) 38.554 10.881 ( 1.744 33.846 14.119) 36.714 11.123 ( -1.237 13.848 -1.376) 13.971 11.450 ( -6.577 -9.901 -0.275) 11.890 12.378 ( 2.616 -19.695 -4.028) 20.273 13.016 ( -0.835 -2.775 52.489) 52.568 13.514 ( -0.946 1.593 38.937) 38.981 14.760 ( 9.481 -11.590 -29.857) 33.401 15.502 ( 5.604 4.862 -40.986) 41.652 15.885 ( 6.441 29.576 2.116) 30.343 17.020 ( -2.822 -6.476 6.512) 9.608 17.113 ( -1.314 -9.721 6.518) 11.778 17.245 ( -16.001 -8.889 9.231) 20.500 18.290 ( 6.214 8.965 -11.289) 15.698 18.607 ( -5.547 -15.293 -0.547) 16.277 20.588 ( -8.654 -7.034 0.285) 11.156 20.779 ( -2.760 -2.098 -2.346) 4.186 20.984 ( -3.174 2.350 -0.927) 4.057 21.263 ( -8.925 1.680 7.979) 12.089 ======================= Grid point 132 (85/156) ======================= q-point: ( 0.10 -0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( 7.928 -4.124 -0.000) 8.936 2.875 ( -0.376 7.117 0.000) 7.127 2.936 ( -10.568 -0.981 0.000) 10.613 3.095 ( -4.798 7.144 0.000) 8.606 3.450 ( -4.595 -8.399 -0.000) 9.574 3.610 ( 1.413 10.624 0.000) 10.717 4.501 ( 9.222 11.175 0.000) 14.489 4.550 ( -13.045 -10.577 0.000) 16.794 6.425 ( 2.955 -9.577 -0.000) 10.023 6.519 ( 11.697 -4.257 -0.000) 12.447 6.899 ( 13.497 -6.956 -0.000) 15.184 7.450 ( -0.966 -4.200 -0.000) 4.309 8.206 ( 28.903 -26.573 -0.000) 39.262 8.614 ( -10.612 -11.536 -0.000) 15.674 8.794 ( 20.803 -0.020 -0.000) 20.803 9.530 ( 21.320 -24.418 -0.000) 32.416 9.681 ( 52.882 14.262 -0.000) 54.771 9.752 ( -12.085 -54.526 -0.000) 55.849 10.992 ( -25.431 23.803 0.000) 34.833 11.233 ( -10.687 21.582 0.000) 24.083 11.476 ( -16.365 -30.128 -0.000) 34.285 11.514 ( 24.296 14.745 -0.000) 28.420 13.671 ( -1.604 1.549 0.000) 2.230 14.284 ( -18.366 19.001 0.000) 26.426 15.194 ( 13.944 -13.396 -0.000) 19.336 15.500 ( 5.089 -5.056 -0.000) 7.174 16.134 ( 25.160 -25.730 -0.000) 35.987 16.907 ( 1.100 -2.120 -0.000) 2.388 16.967 ( 1.909 -3.068 -0.000) 3.613 17.355 ( 13.372 22.037 0.000) 25.777 17.357 ( -21.091 -12.865 0.000) 24.705 18.231 ( -21.461 21.413 0.000) 30.317 20.006 ( 1.846 0.028 -0.000) 1.846 20.364 ( -6.939 5.143 0.000) 8.638 20.720 ( -5.967 5.953 0.000) 8.429 20.730 ( -6.535 6.696 0.000) 9.356 ======================= Grid point 137 (86/156) ======================= q-point: ( 0.10 0.70 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 11.896 -8.060 -2.589) 14.601 2.862 ( 3.471 8.114 -0.593) 8.845 2.965 ( 16.838 -5.786 -2.235) 17.944 3.343 ( 2.335 -1.895 -5.653) 6.403 3.695 ( -9.071 9.916 -6.023) 14.727 3.862 ( -19.813 -12.618 7.656) 24.706 4.477 ( -3.713 3.900 -6.163) 8.184 5.129 ( -10.120 -8.720 0.164) 13.360 5.816 ( 19.095 -19.810 -0.817) 27.527 6.069 ( 16.385 -2.554 -0.559) 16.593 6.461 ( 14.517 0.421 0.277) 14.526 6.690 ( 28.182 -32.527 -3.740) 43.200 7.183 ( 18.053 -10.186 -0.219) 20.729 7.428 ( 49.044 3.228 -7.680) 49.747 8.026 ( 22.825 6.864 -5.021) 24.358 8.164 ( 34.401 -14.991 1.401) 37.552 9.168 ( -7.583 -13.611 -8.082) 17.552 9.995 ( -0.405 -64.459 -1.329) 64.474 10.722 ( 10.435 26.070 -18.394) 33.569 11.631 ( -9.817 33.750 18.312) 39.633 11.844 ( -16.121 22.096 -3.094) 27.526 11.990 ( -5.129 -15.742 -7.596) 18.216 13.053 ( 3.027 2.361 57.086) 57.215 13.746 ( 13.370 10.992 29.590) 34.280 14.808 ( 20.904 -10.282 -23.403) 33.021 15.696 ( 6.378 1.322 -39.312) 39.848 16.501 ( -25.284 -10.015 -2.964) 27.356 16.545 ( 1.326 13.167 6.852) 14.903 16.909 ( -1.537 -5.163 3.234) 6.283 17.012 ( 5.245 3.271 3.647) 7.177 18.119 ( -12.984 -15.040 -1.548) 19.930 18.687 ( 1.652 18.951 -3.323) 19.311 20.240 ( -10.267 -6.759 -2.322) 12.510 20.653 ( -4.911 -1.628 -2.267) 5.649 20.970 ( -5.283 5.029 1.135) 7.382 21.087 ( -11.800 2.912 5.307) 13.262 ======================= Grid point 138 (87/156) ======================= q-point: ( 0.10 -0.10 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( -8.129 -0.951 0.000) 8.184 2.898 ( -13.014 -10.172 0.000) 16.518 2.901 ( 18.570 -3.731 -0.000) 18.941 3.068 ( -0.901 5.392 0.000) 5.467 3.523 ( 6.023 14.487 0.000) 15.690 3.799 ( -3.241 13.020 0.000) 13.417 4.212 ( -3.125 -2.772 0.000) 4.178 4.897 ( 7.462 8.313 0.000) 11.171 6.218 ( -2.892 -10.328 -0.000) 10.726 6.576 ( 7.859 -9.672 -0.000) 12.462 6.989 ( 10.943 -8.367 -0.000) 13.775 7.258 ( -6.064 -8.346 -0.000) 10.317 8.058 ( -13.844 -30.072 -0.000) 33.105 8.063 ( 22.340 -38.116 -0.000) 44.180 8.350 ( -14.332 -42.682 -0.000) 45.024 9.134 ( 9.761 3.911 -0.000) 10.515 9.269 ( 10.812 -34.979 -0.000) 36.612 10.467 ( -20.833 -30.385 -0.000) 36.841 10.674 ( 4.774 6.667 0.000) 8.200 10.820 ( -39.394 16.039 0.000) 42.534 11.308 ( 9.406 12.517 0.000) 15.658 12.301 ( 28.688 6.488 -0.000) 29.413 13.637 ( -4.340 2.899 0.000) 5.219 13.897 ( -20.113 -4.225 0.000) 20.552 15.109 ( 8.219 -16.451 -0.000) 18.390 15.374 ( -0.978 -9.973 -0.000) 10.021 16.323 ( -26.557 -17.059 0.000) 31.564 16.631 ( 30.804 2.155 -0.000) 30.879 16.860 ( -0.133 2.458 0.000) 2.461 17.292 ( 8.009 2.512 -0.000) 8.393 18.107 ( 15.392 18.370 0.000) 23.966 18.189 ( -15.784 13.655 0.000) 20.871 20.212 ( 8.635 8.713 0.000) 12.267 20.445 ( -0.872 10.522 0.000) 10.558 20.775 ( -1.432 5.458 0.000) 5.642 20.814 ( -3.881 12.386 0.000) 12.979 ======================= Grid point 141 (88/156) ======================= q-point: ( 0.10 0.50 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 15.043 -11.285 -1.597) 18.873 2.452 ( 19.005 -10.525 -2.390) 21.856 2.864 ( 8.132 5.962 2.317) 10.346 3.213 ( 10.099 -7.583 0.449) 12.637 3.745 ( -10.434 -10.852 9.086) 17.584 4.032 ( -4.328 -9.067 2.886) 10.453 4.412 ( 4.375 -9.694 10.327) 14.824 4.938 ( 7.427 -23.702 0.620) 24.846 5.095 ( 1.483 -15.667 -7.184) 17.300 5.407 ( 11.138 -32.503 -3.517) 34.537 5.766 ( 26.363 -2.085 -12.144) 29.100 6.359 ( 21.718 -18.038 -9.435) 29.767 6.749 ( -0.109 -4.117 -9.018) 9.914 7.076 ( 11.936 -9.970 -12.758) 20.115 7.351 ( 22.092 -2.052 -5.507) 22.860 7.745 ( 12.562 -16.826 -1.730) 21.069 8.761 ( 2.664 -44.456 -11.703) 46.048 9.137 ( -3.372 -20.601 -3.466) 21.161 11.489 ( 1.910 14.359 18.573) 23.554 11.717 ( 2.406 11.208 20.821) 23.768 12.012 ( -12.354 27.246 41.420) 51.093 12.184 ( -5.300 -0.070 -13.602) 14.598 12.570 ( -14.401 7.060 -5.728) 17.030 13.157 ( 16.139 3.083 4.332) 16.992 14.491 ( 13.418 -13.032 -7.545) 20.170 16.232 ( 3.538 0.648 22.033) 22.325 16.428 ( 2.428 -6.638 12.875) 14.687 16.477 ( 0.216 3.314 -27.430) 27.630 17.307 ( -3.406 16.454 -9.428) 19.267 17.408 ( -22.822 17.318 -7.884) 29.714 18.113 ( -6.394 -8.889 -2.877) 11.321 19.046 ( 7.093 14.425 -9.628) 18.737 20.329 ( -4.864 -10.954 -9.077) 15.035 20.672 ( 0.227 -6.735 -2.113) 7.062 21.089 ( -2.066 3.007 2.530) 4.440 21.170 ( -5.072 1.119 7.007) 8.723 ======================= Grid point 142 (89/156) ======================= q-point: ( 0.10 0.70 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 10.012 -7.013 -0.511) 12.234 3.030 ( -0.046 0.785 -1.534) 1.723 3.079 ( -0.694 -2.830 -1.973) 3.519 3.149 ( 1.305 -7.108 -5.274) 8.947 3.459 ( -4.128 4.141 1.445) 6.023 3.918 ( -0.322 12.732 -4.349) 13.458 4.557 ( 0.462 1.413 1.011) 1.797 4.688 ( -8.133 -8.228 -6.883) 13.461 5.866 ( 23.367 -19.118 3.042) 30.344 6.211 ( 10.115 -10.675 -9.582) 17.552 6.606 ( 9.464 -9.154 -2.207) 13.351 6.729 ( 36.265 -29.645 -1.681) 46.870 7.251 ( 9.340 -10.953 0.759) 14.415 8.353 ( 24.127 -24.638 2.417) 34.568 8.482 ( 22.649 -31.681 -2.364) 39.016 8.517 ( 30.883 -22.513 -1.749) 38.257 8.780 ( 20.679 -7.219 -5.435) 22.567 8.837 ( 6.199 -20.778 -7.218) 22.853 11.405 ( 12.472 14.024 -11.939) 22.244 11.420 ( -14.221 -11.843 -12.082) 22.101 11.862 ( -16.548 15.820 -0.198) 22.894 11.892 ( -19.680 20.580 14.365) 31.893 13.114 ( 0.688 -0.829 56.599) 56.609 14.086 ( 7.514 -6.756 29.304) 30.997 15.219 ( 19.132 -19.888 0.467) 27.601 15.628 ( -10.955 10.511 -33.990) 37.226 15.837 ( -4.803 3.815 -37.220) 37.722 16.758 ( 1.715 -3.111 9.676) 10.308 16.804 ( 3.977 -1.139 9.646) 10.496 17.505 ( -5.172 1.126 -2.553) 5.876 17.513 ( -1.139 5.224 -2.971) 6.116 18.932 ( -14.633 14.374 1.437) 20.562 20.046 ( 0.731 0.474 -4.604) 4.686 20.571 ( -2.929 2.152 -2.270) 4.286 20.959 ( -8.598 5.135 3.142) 10.496 20.994 ( -5.517 8.669 3.244) 10.776 ======================= Grid point 143 (90/156) ======================= q-point: ( 0.10 -0.10 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -22.003 -15.187 0.000) 26.735 2.442 ( -11.663 -4.093 0.000) 12.361 3.014 ( 13.828 -20.439 -0.000) 24.678 3.163 ( 2.883 -3.313 -0.000) 4.391 3.624 ( -4.451 -2.565 0.000) 5.137 4.056 ( -7.991 17.034 0.000) 18.815 4.476 ( 4.892 14.916 0.000) 15.698 5.019 ( -1.979 0.638 0.000) 2.080 5.978 ( -5.153 -1.558 0.000) 5.384 6.373 ( -6.934 -27.074 -0.000) 27.948 6.741 ( -16.109 -24.357 -0.000) 29.202 6.879 ( -9.416 -14.532 -0.000) 17.316 7.092 ( 8.073 -11.592 -0.000) 14.126 7.676 ( 11.397 -32.030 -0.000) 33.997 7.789 ( 4.211 -20.807 -0.000) 21.228 8.727 ( 4.897 -34.565 -0.000) 34.910 9.338 ( 4.781 1.532 -0.000) 5.021 9.493 ( -20.456 -23.076 -0.000) 30.837 10.033 ( -54.811 3.569 0.000) 54.927 10.163 ( -40.506 -1.496 0.000) 40.533 12.121 ( 31.695 11.214 -0.000) 33.621 12.861 ( 23.726 -2.496 -0.000) 23.857 13.679 ( -2.493 5.188 0.000) 5.756 13.699 ( -2.117 10.751 0.000) 10.957 14.888 ( 2.592 -16.819 -0.000) 17.017 15.078 ( -4.774 -13.912 -0.000) 14.709 15.419 ( -31.490 -12.948 0.000) 34.048 17.082 ( 9.567 11.048 0.000) 14.615 17.215 ( 16.848 3.929 -0.000) 17.300 17.550 ( 12.482 4.161 -0.000) 13.158 18.081 ( -7.336 3.136 0.000) 7.978 18.744 ( 15.729 11.376 -0.000) 19.411 20.585 ( 8.016 8.954 0.000) 12.018 20.691 ( 2.972 9.958 0.000) 10.392 20.832 ( -1.631 2.981 0.000) 3.397 21.049 ( -0.628 14.972 0.000) 14.985 ======================= Grid point 146 (91/156) ======================= q-point: ( 0.10 0.50 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 12.526 -11.717 0.316) 17.155 2.575 ( 15.304 -16.681 2.539) 22.780 3.048 ( 0.996 -15.313 -0.311) 15.348 3.172 ( 9.163 3.508 -3.032) 10.269 3.477 ( 2.536 -0.718 3.863) 4.677 4.053 ( 11.910 -2.867 -0.050) 12.250 4.297 ( 0.240 -8.423 19.951) 21.657 4.748 ( 3.016 -8.333 -7.053) 11.326 4.966 ( 33.471 -39.765 -3.268) 52.079 5.026 ( 20.793 -15.104 -6.680) 26.554 6.212 ( 23.225 -7.359 -10.831) 26.662 6.523 ( -2.643 -19.406 -3.831) 19.956 6.765 ( 31.929 -9.026 -2.034) 33.242 7.160 ( 20.860 -41.546 -11.013) 47.776 7.234 ( 33.436 -26.318 -12.989) 44.490 7.610 ( 15.042 -11.120 -10.216) 21.314 8.629 ( -3.505 -12.580 -6.273) 14.488 8.716 ( 11.402 2.804 -7.162) 13.754 11.666 ( 2.129 -1.035 62.531) 62.576 11.930 ( -6.117 8.790 -18.461) 21.343 11.990 ( -7.466 3.075 -12.717) 15.064 12.261 ( -25.546 26.183 38.978) 53.455 12.425 ( -5.658 5.612 -10.927) 13.524 13.343 ( 11.332 -10.916 1.750) 15.832 14.583 ( 9.878 -11.305 4.496) 15.671 16.307 ( 5.773 -2.600 19.900) 20.882 16.324 ( 2.802 -6.526 19.719) 20.959 16.540 ( -2.031 2.382 -35.661) 35.798 17.187 ( -27.020 28.058 -17.933) 42.882 17.736 ( 1.344 8.835 -6.691) 11.164 17.757 ( -9.018 -1.069 -7.236) 11.611 19.347 ( -8.627 8.335 1.571) 12.098 20.110 ( 7.017 -6.161 -13.688) 16.570 20.590 ( 4.138 -4.620 -1.877) 6.480 21.099 ( -4.928 2.610 4.865) 7.400 21.118 ( -2.433 4.557 5.225) 7.347 ======================= Grid point 147 (92/156) ======================= q-point: ( 0.10 0.70 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 12.906 -11.938 -0.279) 17.582 2.790 ( -6.542 -6.703 1.998) 9.577 2.918 ( -0.292 -15.095 -4.781) 15.837 3.166 ( -1.579 1.076 -10.054) 10.234 3.834 ( 7.007 21.342 0.741) 22.475 4.051 ( -5.986 5.125 5.155) 9.417 4.347 ( -1.362 4.247 -11.840) 12.652 4.842 ( 10.558 1.022 2.171) 10.827 5.955 ( 17.965 -14.085 2.048) 22.919 6.105 ( 9.687 -17.032 -7.116) 20.846 6.553 ( 5.214 -12.968 5.254) 14.932 6.805 ( 25.372 -23.486 -1.887) 34.625 7.098 ( 3.339 -18.332 -0.220) 18.635 7.474 ( 0.997 -47.475 -8.697) 48.275 7.882 ( -9.009 -27.088 -7.345) 29.476 8.221 ( 16.805 -33.976 2.714) 38.002 9.195 ( 12.716 7.521 -8.889) 17.242 9.926 ( 61.045 1.054 -0.193) 61.054 10.738 ( -26.290 -10.268 -18.397) 33.690 11.701 ( -29.907 10.310 16.811) 35.824 11.825 ( -24.915 16.004 -2.017) 29.681 11.965 ( 18.469 4.740 -7.635) 20.539 13.047 ( -2.312 -3.238 57.443) 57.581 13.758 ( -11.166 -13.600 29.168) 34.065 14.808 ( 11.969 -20.945 -22.298) 32.850 15.705 ( -1.160 -6.448 -39.695) 40.232 16.386 ( 5.396 19.054 -2.392) 19.948 16.582 ( -10.465 0.584 6.779) 12.482 16.903 ( -1.523 2.197 -1.313) 2.978 17.074 ( 3.472 -1.161 7.143) 8.027 18.123 ( 15.160 13.071 -1.532) 20.075 18.684 ( -18.716 -1.664 -3.475) 19.109 20.275 ( 7.488 10.259 -1.749) 12.821 20.637 ( 1.473 5.467 -2.651) 6.252 20.936 ( -4.621 5.056 1.087) 6.935 21.102 ( -3.902 11.326 5.212) 13.064 ======================= Grid point 148 (93/156) ======================= q-point: ( 0.10 -0.10 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -24.810 -11.278 0.000) 27.253 1.963 ( -17.407 -18.730 -0.000) 25.570 2.778 ( 6.340 -18.584 -0.000) 19.636 2.964 ( 3.642 -19.703 -0.000) 20.036 3.547 ( -8.143 7.639 0.000) 11.165 3.744 ( -40.722 5.970 0.000) 41.157 4.447 ( -13.983 -8.561 0.000) 16.396 4.849 ( -24.265 -23.201 0.000) 33.572 5.459 ( -8.797 2.261 0.000) 9.083 6.124 ( -9.536 20.717 0.000) 22.806 6.321 ( -5.217 -19.516 -0.000) 20.201 6.486 ( -2.797 -1.465 0.000) 3.157 6.990 ( 4.167 -17.133 -0.000) 17.633 7.291 ( -3.956 -14.962 -0.000) 15.476 7.557 ( 9.019 -24.086 -0.000) 25.719 8.057 ( -12.833 -16.304 -0.000) 20.749 8.877 ( -11.416 -7.082 0.000) 13.435 9.123 ( -23.580 -6.826 0.000) 24.548 9.175 ( -28.960 1.914 0.000) 29.023 9.655 ( -4.087 4.071 0.000) 5.768 12.836 ( 18.783 9.712 -0.000) 21.145 13.159 ( 16.301 -6.585 -0.000) 17.581 13.884 ( 2.390 11.806 0.000) 12.045 13.955 ( 0.626 14.910 0.000) 14.924 14.553 ( -2.030 -16.506 -0.000) 16.631 14.584 ( -21.808 -11.602 0.000) 24.702 14.704 ( -12.668 -9.950 0.000) 16.109 17.484 ( 8.233 1.328 -0.000) 8.339 17.650 ( 22.773 12.071 -0.000) 25.774 17.909 ( 11.422 5.399 -0.000) 12.634 18.060 ( 2.991 -0.614 -0.000) 3.053 19.188 ( 13.159 4.809 -0.000) 14.010 20.697 ( -5.176 -1.335 0.000) 5.345 20.884 ( 2.026 3.870 0.000) 4.368 20.914 ( 2.007 4.612 0.000) 5.030 21.329 ( 0.719 11.404 0.000) 11.426 ======================= Grid point 150 (94/156) ======================= q-point: ( 0.10 0.30 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 18.528 -18.982 4.650) 26.930 1.664 ( 27.510 -27.819 5.370) 39.491 2.373 ( 10.117 -11.957 28.411) 32.443 2.846 ( 9.723 -7.665 4.784) 13.273 3.275 ( 6.111 -6.326 24.174) 25.725 3.404 ( 7.897 -7.794 4.394) 11.934 3.553 ( 24.850 -18.329 -1.821) 30.932 3.619 ( 12.516 -19.318 -2.312) 23.134 4.640 ( 24.689 -24.606 -23.037) 41.781 4.936 ( 15.016 -11.574 -6.907) 20.178 5.187 ( 37.183 -40.748 -9.774) 56.023 5.940 ( 19.941 -7.574 -16.071) 26.707 5.957 ( 8.368 -19.584 -18.810) 28.414 6.934 ( 2.342 -2.283 -7.274) 7.976 6.957 ( 3.147 -3.643 -6.969) 8.470 7.724 ( -1.181 1.471 -12.489) 12.631 8.627 ( 0.139 -1.984 -4.454) 4.878 8.775 ( 0.809 0.750 -7.292) 7.375 10.188 ( 1.293 -1.283 69.269) 69.293 12.390 ( -25.976 25.221 34.102) 49.737 12.666 ( 0.154 4.521 -24.794) 25.203 12.727 ( -6.595 4.869 -26.689) 27.920 12.830 ( -2.941 0.652 -20.777) 20.994 13.272 ( -6.935 7.229 1.427) 10.119 14.155 ( 3.413 -4.272 11.226) 12.487 15.670 ( 2.698 -2.373 29.625) 29.842 15.677 ( 2.715 -2.841 29.594) 29.853 17.238 ( -2.503 2.494 -24.391) 24.645 18.021 ( -3.594 2.207 -8.536) 9.521 18.037 ( -1.850 3.952 -8.944) 9.952 18.564 ( -26.263 26.001 -8.085) 37.831 19.581 ( -4.631 4.228 0.292) 6.277 19.928 ( 26.140 -25.513 -27.618) 45.792 20.267 ( 13.057 -13.283 -0.835) 18.645 21.076 ( -0.898 0.826 5.696) 5.825 21.095 ( -0.616 0.570 5.289) 5.355 ======================= Grid point 151 (95/156) ======================= q-point: ( 0.10 0.50 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 12.477 -15.948 -1.133) 20.280 2.408 ( 8.450 -18.022 -0.632) 19.915 2.807 ( -1.792 -5.696 0.130) 5.973 3.255 ( 2.409 -11.093 0.664) 11.371 3.735 ( 14.060 6.954 5.254) 16.542 4.229 ( 6.493 6.191 2.464) 9.303 4.311 ( 14.424 -5.475 16.626) 22.682 4.698 ( 6.866 1.703 -6.146) 9.371 5.236 ( 36.917 -15.922 -6.900) 40.792 5.275 ( 20.288 -3.642 -6.939) 21.749 5.918 ( 4.454 -32.391 -3.719) 32.907 6.466 ( 21.519 -11.248 -7.108) 25.300 6.829 ( 6.974 -12.927 -13.246) 19.779 6.883 ( 4.962 -9.023 -10.686) 14.839 7.489 ( 4.385 -20.454 -10.328) 23.330 7.639 ( 13.930 -9.822 1.139) 17.082 8.739 ( 47.178 -1.662 -10.911) 48.452 9.149 ( 18.479 2.842 -3.615) 19.042 11.520 ( -13.479 -3.305 20.947) 25.127 11.697 ( -11.993 -1.254 18.432) 22.026 12.034 ( -24.853 11.503 44.765) 52.478 12.160 ( -1.292 6.090 -16.572) 17.703 12.551 ( -8.525 14.025 -5.922) 17.449 13.176 ( -2.252 -15.853 4.180) 16.549 14.464 ( 12.919 -12.525 -6.904) 19.273 16.238 ( -0.465 -3.814 22.060) 22.392 16.406 ( 4.971 -1.036 8.402) 9.817 16.491 ( -2.068 -1.002 -24.639) 24.746 17.309 ( -16.472 2.362 -9.452) 19.137 17.428 ( -17.423 22.978 -6.536) 29.568 18.110 ( 9.413 6.374 -3.150) 11.796 19.043 ( -14.285 -7.068 -9.851) 18.737 20.345 ( 11.014 4.582 -8.721) 14.777 20.663 ( 6.957 -0.138 -2.469) 7.383 21.072 ( -3.434 2.805 2.280) 4.986 21.180 ( -1.124 4.525 7.370) 8.721 ======================= Grid point 152 (96/156) ======================= q-point: ( 0.10 -0.30 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 6.239 -15.048 0.156) 16.291 2.457 ( -7.008 -13.992 -4.940) 16.410 2.641 ( -6.312 -6.405 -0.760) 9.024 2.954 ( -3.355 -13.480 -13.283) 19.220 3.967 ( -8.822 7.501 -6.614) 13.335 4.408 ( 4.364 11.992 6.884) 14.500 4.589 ( -0.027 11.998 2.295) 12.216 5.015 ( 6.987 2.757 2.561) 7.936 5.890 ( -1.508 -12.734 0.805) 12.849 5.999 ( 7.481 -12.947 -2.686) 15.192 6.304 ( 5.806 -18.899 12.910) 23.612 6.682 ( -1.307 -9.446 -6.835) 11.732 6.860 ( 7.781 -8.577 -4.217) 12.324 6.959 ( 4.911 -13.564 -0.265) 14.428 7.332 ( 4.469 -21.680 -12.408) 25.376 7.896 ( 10.978 -23.464 2.130) 25.993 9.443 ( 3.944 0.584 -13.083) 13.677 10.051 ( -25.375 -3.960 -28.527) 38.385 10.751 ( -15.319 3.785 10.871) 19.162 11.153 ( -43.100 0.786 -0.139) 43.107 11.536 ( 19.872 2.624 2.171) 20.162 12.367 ( 19.692 -2.391 -4.389) 20.317 13.015 ( 3.114 0.851 53.249) 53.346 13.515 ( -1.768 0.755 38.758) 38.806 14.789 ( 13.427 -10.647 -30.106) 34.641 15.511 ( -4.643 -5.964 -41.843) 42.521 15.855 ( -31.090 -5.210 3.176) 31.683 16.965 ( 8.134 5.537 8.664) 13.110 17.059 ( 9.370 6.133 2.291) 11.431 17.338 ( 7.040 9.131 11.310) 16.151 18.293 ( -9.116 -6.271 -11.480) 15.944 18.609 ( 15.296 5.518 -0.450) 16.267 20.610 ( 6.597 7.183 0.616) 9.772 20.790 ( 3.035 3.402 -2.238) 5.079 20.957 ( -2.098 3.738 -1.169) 4.443 21.256 ( -2.239 9.109 7.764) 12.177 ======================= Grid point 153 (97/156) ======================= q-point: ( 0.15 -0.15 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -25.636 -0.411 0.000) 25.639 1.660 ( -24.051 0.048 0.000) 24.051 2.601 ( 4.483 1.974 -0.000) 4.898 2.692 ( 5.038 -2.954 -0.000) 5.841 3.665 ( -8.099 1.175 0.000) 8.184 3.979 ( -47.328 4.519 0.000) 47.543 4.273 ( -16.339 -5.660 0.000) 17.291 4.484 ( -33.029 0.038 0.000) 33.029 5.679 ( -1.379 15.918 0.000) 15.978 5.966 ( -11.852 -13.783 -0.000) 18.179 6.382 ( -0.539 -14.998 -0.000) 15.008 6.521 ( 3.237 12.101 0.000) 12.526 6.802 ( 1.665 4.589 0.000) 4.882 7.136 ( 3.669 -8.714 -0.000) 9.455 7.219 ( -13.230 10.872 0.000) 17.124 7.901 ( 1.356 -3.928 -0.000) 4.155 8.809 ( -11.251 -0.365 0.000) 11.257 9.010 ( -22.519 -4.495 0.000) 22.964 9.232 ( -29.193 3.870 0.000) 29.448 9.706 ( -4.449 1.030 0.000) 4.566 12.997 ( 14.603 -4.418 -0.000) 15.256 13.023 ( 21.418 4.300 -0.000) 21.846 14.077 ( -1.725 3.073 0.000) 3.524 14.133 ( 2.487 -8.827 -0.000) 9.170 14.362 ( -4.132 9.124 0.000) 10.016 14.378 ( -4.584 -5.355 -0.000) 7.049 14.606 ( -24.849 0.853 0.000) 24.864 17.504 ( 7.774 0.580 -0.000) 7.796 17.776 ( 24.649 -0.311 -0.000) 24.651 18.003 ( 8.011 -4.561 -0.000) 9.218 18.019 ( 7.814 5.129 -0.000) 9.346 19.235 ( 12.949 0.148 -0.000) 12.950 20.684 ( -7.391 0.306 0.000) 7.397 20.909 ( 2.161 -1.334 -0.000) 2.539 20.968 ( 0.758 0.631 -0.000) 0.986 21.455 ( 0.511 0.101 -0.000) 0.521 ======================= Grid point 155 (98/156) ======================= q-point: ( 0.15 0.25 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 16.564 0.417 11.664) 20.264 1.402 ( 43.185 -0.062 3.379) 43.317 2.295 ( 10.584 0.490 31.795) 33.514 2.740 ( 4.585 -0.224 5.613) 7.251 3.164 ( 19.672 -1.326 0.590) 19.726 3.189 ( 6.361 1.037 25.517) 26.318 3.426 ( 18.694 -0.766 -4.703) 19.292 3.509 ( 9.558 0.998 3.545) 10.243 4.238 ( 70.063 -0.876 -23.679) 73.961 4.762 ( 23.214 -1.740 -1.907) 23.357 4.822 ( 26.673 2.461 -2.566) 26.909 5.729 ( 0.137 -0.529 -23.356) 23.362 5.912 ( 19.738 0.237 -18.497) 27.051 6.916 ( 0.626 0.160 -6.085) 6.119 6.923 ( 1.312 -0.070 -7.130) 7.250 7.736 ( -2.260 -0.070 -13.305) 13.496 8.610 ( -0.741 0.418 -5.253) 5.322 8.787 ( 1.457 -0.346 -6.950) 7.110 10.175 ( 0.238 -0.003 69.844) 69.845 12.567 ( -18.648 0.950 2.681) 18.864 12.681 ( -3.092 -1.497 -26.731) 26.951 12.803 ( -4.425 -0.703 -25.093) 25.489 12.894 ( 5.059 1.269 -19.267) 19.961 13.443 ( -39.636 -0.204 22.543) 45.599 14.107 ( 1.369 0.417 10.952) 11.046 15.634 ( 0.933 -0.012 29.537) 29.552 15.659 ( 3.553 -0.063 29.398) 29.612 17.263 ( -2.872 0.012 -24.585) 24.752 18.015 ( -7.033 -0.090 -9.764) 12.034 18.099 ( 1.082 -0.167 -8.287) 8.359 18.940 ( -32.519 0.052 -2.200) 32.593 19.397 ( 18.772 0.267 -20.364) 27.698 19.764 ( 22.094 -0.349 -5.128) 22.684 20.095 ( 22.092 0.126 -1.208) 22.126 21.084 ( -0.460 0.023 5.678) 5.696 21.100 ( 0.064 0.010 5.474) 5.475 ======================= Grid point 156 (99/156) ======================= q-point: ( 0.15 0.45 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 15.229 -0.658 1.422) 15.309 2.229 ( 9.380 1.532 -6.333) 11.421 2.789 ( -4.420 1.423 4.654) 6.574 3.071 ( 3.762 -1.197 3.667) 5.388 3.827 ( 13.965 1.526 7.485) 15.917 4.141 ( 17.107 -6.084 8.278) 19.955 4.384 ( 11.051 0.553 8.373) 13.876 4.763 ( 28.488 7.621 10.689) 31.367 5.146 ( 18.709 0.480 -17.189) 25.411 5.337 ( 12.918 9.832 -13.106) 20.864 5.406 ( 12.840 -12.254 -7.103) 19.118 6.201 ( 28.894 -6.542 -7.186) 30.485 6.778 ( 1.738 -2.388 -11.636) 12.005 6.877 ( 9.157 10.636 -13.838) 19.710 7.176 ( -3.189 -7.445 -4.852) 9.441 7.595 ( 12.803 3.122 -2.839) 13.480 8.728 ( 48.542 0.572 -11.345) 49.853 9.174 ( 17.728 -0.335 -2.793) 17.950 11.477 ( -13.040 -0.816 32.841) 35.344 11.692 ( -14.005 0.443 8.446) 16.361 12.145 ( -22.252 -0.602 31.506) 38.577 12.237 ( -8.934 0.631 -1.020) 9.014 12.832 ( -11.686 8.664 -4.263) 15.159 12.873 ( 1.195 -8.640 -0.084) 8.723 14.340 ( 14.358 0.811 -9.849) 17.430 16.197 ( -0.491 -0.145 22.980) 22.985 16.398 ( 6.118 0.501 12.679) 14.087 16.478 ( -3.711 -0.330 -28.252) 28.497 17.299 ( -15.804 -0.033 -10.885) 19.190 17.737 ( -23.192 -0.673 2.231) 23.309 18.170 ( 8.761 0.144 -2.802) 9.199 18.932 ( -9.909 0.123 -18.463) 20.954 20.391 ( 11.992 -0.605 -7.247) 14.025 20.662 ( 8.878 0.360 -2.530) 9.239 21.105 ( -2.566 0.481 1.875) 3.215 21.224 ( -0.081 -0.245 7.465) 7.470 ======================= Grid point 157 (100/156) ======================= q-point: ( 0.15 -0.35 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 4.221 -5.131 -1.529) 6.817 2.270 ( -1.695 4.505 -5.147) 7.047 2.573 ( -8.601 0.542 1.890) 8.822 2.820 ( -9.392 1.829 -13.066) 16.195 4.028 ( -5.937 -2.053 -7.017) 9.418 4.512 ( 0.819 0.079 1.465) 1.681 4.723 ( 2.444 -0.423 10.349) 10.642 5.217 ( 1.973 13.284 7.075) 15.179 5.626 ( 0.178 -8.061 -1.160) 8.146 5.871 ( 8.417 -1.789 -4.239) 9.592 6.064 ( 9.950 -0.986 11.156) 14.981 6.582 ( 1.922 -4.129 -9.296) 10.352 6.760 ( 3.128 -2.429 -12.614) 13.221 6.791 ( 5.651 -5.258 2.559) 8.132 7.215 ( 10.633 15.577 -5.219) 19.568 7.624 ( 7.467 -4.530 -0.348) 8.740 9.441 ( 0.616 -0.518 -11.144) 11.173 10.016 ( -24.886 -0.406 -29.723) 38.768 10.826 ( -24.218 3.595 12.609) 27.540 11.142 ( -31.363 -1.076 -0.720) 31.390 11.539 ( 15.867 -2.294 0.423) 16.038 12.343 ( 17.136 0.345 -3.932) 17.584 13.029 ( 4.607 0.043 53.073) 53.272 13.529 ( 1.504 0.016 44.399) 44.425 14.670 ( 13.453 -0.815 -33.050) 35.692 15.445 ( -5.170 -0.257 -44.121) 44.424 15.812 ( -30.988 0.821 2.905) 31.134 17.019 ( 8.095 1.265 10.126) 13.026 17.131 ( 10.801 0.932 2.411) 11.106 17.458 ( 0.678 -1.805 16.169) 16.284 18.199 ( -4.213 -0.074 -18.554) 19.026 18.662 ( 14.812 -0.067 -0.212) 14.814 20.684 ( 6.111 -0.379 1.538) 6.313 20.811 ( 2.646 -0.693 -2.741) 3.872 21.006 ( -1.652 0.912 -1.605) 2.478 21.353 ( -1.251 0.197 8.503) 8.597 ======================= Grid point 170 (101/156) ======================= q-point: ( 0.15 0.25 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( 9.394 4.856 0.120) 10.576 2.995 ( 6.463 5.753 7.809) 11.656 3.076 ( -4.053 0.253 1.090) 4.204 3.267 ( -9.155 -6.406 -0.232) 11.176 3.557 ( 2.437 -13.282 -6.587) 15.025 3.814 ( -9.696 0.917 2.017) 9.946 4.423 ( 7.068 -1.056 10.145) 12.409 5.006 ( 0.378 -3.193 -1.937) 3.754 6.110 ( 15.113 15.643 1.554) 21.806 6.616 ( -1.313 6.904 -5.403) 8.864 6.843 ( -1.478 10.173 -6.543) 12.185 7.214 ( 3.275 6.827 2.420) 7.949 7.618 ( 34.691 43.230 -2.295) 55.476 8.375 ( 8.800 20.148 11.377) 24.755 8.541 ( -12.907 45.270 4.495) 47.288 9.053 ( -4.800 30.929 -16.251) 35.267 9.715 ( 30.243 -4.264 -21.198) 37.177 9.931 ( 53.437 -8.998 0.525) 54.192 10.136 ( -17.936 -10.238 36.738) 42.145 11.053 ( 11.969 22.157 45.074) 51.632 11.700 ( -26.306 -17.625 -6.838) 32.394 12.287 ( -6.281 11.589 -40.499) 42.590 12.664 ( 15.956 -2.851 -31.107) 35.076 13.075 ( -19.417 -2.057 13.396) 23.679 15.666 ( 23.141 19.289 -0.424) 30.129 16.022 ( -0.518 11.444 23.913) 26.515 16.234 ( 7.460 2.094 24.713) 25.899 16.578 ( 0.023 -8.734 -14.540) 16.962 16.922 ( -9.260 -0.472 -16.946) 19.317 17.264 ( -20.851 4.361 -6.967) 22.412 17.879 ( 13.052 -18.655 -1.723) 22.833 18.514 ( -17.918 -16.435 2.133) 24.407 20.351 ( -2.051 -7.260 -6.783) 10.145 20.571 ( -5.213 -8.557 4.003) 10.790 20.680 ( -2.484 -8.516 -0.047) 8.871 20.745 ( -2.752 -6.930 0.341) 7.464 ======================= Grid point 171 (102/156) ======================= q-point: ( 0.15 -0.55 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( -10.372 3.680 -0.916) 11.044 2.844 ( 2.465 10.297 -7.033) 12.710 3.176 ( -4.007 -9.010 -2.310) 10.128 3.315 ( 4.315 4.297 3.551) 7.050 3.548 ( 4.785 -21.176 7.446) 22.951 3.838 ( 8.362 2.772 -4.672) 9.972 4.419 ( -8.156 -1.870 -12.266) 14.848 4.971 ( -1.731 0.010 6.776) 6.994 6.150 ( -16.615 13.748 -1.445) 21.614 6.602 ( 4.452 6.023 -0.337) 7.497 6.729 ( 2.805 15.023 3.436) 15.664 7.343 ( -4.085 -0.161 4.326) 5.952 7.584 ( -34.071 46.058 1.987) 57.325 8.381 ( -8.567 17.267 -13.107) 23.310 8.631 ( 12.770 51.055 0.303) 52.628 9.028 ( 4.487 31.745 15.899) 35.786 9.619 ( -27.097 -10.167 -15.222) 32.700 9.761 ( -31.503 -4.297 19.066) 37.073 10.347 ( -9.797 -12.573 -23.701) 28.562 11.068 ( -12.456 21.736 -44.216) 50.821 11.684 ( 28.353 -17.330 5.744) 33.722 12.279 ( 6.270 12.282 41.430) 43.665 12.636 ( -14.087 -1.815 28.990) 32.283 13.100 ( 17.580 -3.258 -11.530) 21.275 15.589 ( -19.188 21.313 -3.344) 28.873 16.075 ( -1.903 9.991 -20.227) 22.640 16.233 ( -8.363 2.988 -23.318) 24.952 16.588 ( -0.189 -9.782 12.536) 15.903 16.962 ( 5.164 -1.655 19.934) 20.658 17.237 ( 24.348 5.420 4.931) 25.427 17.878 ( -13.000 -18.740 1.765) 22.876 18.517 ( 17.847 -16.554 -2.026) 24.427 20.333 ( 3.322 -6.820 3.906) 8.533 20.586 ( 3.342 -8.700 0.014) 9.320 20.687 ( 3.280 -9.222 -1.844) 9.960 20.736 ( 2.613 -6.320 0.210) 6.842 ======================= Grid point 173 (103/156) ======================= q-point: ( 0.15 -0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 8.130 17.805 0.000) 19.573 2.315 ( 13.280 15.941 0.000) 20.748 2.752 ( 19.318 -4.139 -0.000) 19.756 2.808 ( 20.253 -2.376 -0.000) 20.392 3.709 ( -10.154 6.558 0.000) 12.088 4.380 ( -7.346 3.749 0.000) 8.247 4.588 ( -9.408 23.159 0.000) 24.997 5.177 ( 6.872 6.394 -0.000) 9.386 5.930 ( -1.348 3.832 0.000) 4.062 5.970 ( 19.353 -7.013 -0.000) 20.585 6.196 ( -0.878 16.862 0.000) 16.885 6.483 ( 1.713 -6.048 -0.000) 6.286 6.969 ( 27.965 -14.535 -0.000) 31.517 7.184 ( 21.281 -9.369 -0.000) 23.253 7.739 ( 0.150 -5.719 -0.000) 5.721 7.878 ( 33.739 -1.415 -0.000) 33.769 9.197 ( 6.805 22.610 0.000) 23.612 9.265 ( -3.310 6.597 0.000) 7.381 10.128 ( 4.121 47.432 0.000) 47.611 10.183 ( 0.337 43.860 0.000) 43.861 12.270 ( -8.767 -37.352 -0.000) 38.367 12.778 ( 6.378 -22.168 -0.000) 23.068 13.815 ( -11.998 -1.968 0.000) 12.158 13.953 ( -13.185 1.527 0.000) 13.273 14.520 ( 13.151 -1.206 -0.000) 13.206 14.758 ( 17.017 4.167 -0.000) 17.520 15.277 ( 7.691 30.907 0.000) 31.850 17.283 ( -9.102 -13.654 -0.000) 16.410 17.359 ( 0.937 -8.142 -0.000) 8.196 17.628 ( -11.385 -14.239 -0.000) 18.231 18.054 ( 6.042 1.272 -0.000) 6.175 18.910 ( -5.064 -15.302 -0.000) 16.119 20.732 ( -8.677 -6.010 0.000) 10.555 20.772 ( -0.807 0.489 0.000) 0.944 20.933 ( -3.708 1.013 0.000) 3.844 21.338 ( -10.671 0.423 0.000) 10.680 ======================= Grid point 175 (104/156) ======================= q-point: ( 0.15 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( 4.192 2.076 1.003) 4.784 2.835 ( -6.227 -0.151 -1.784) 6.479 2.957 ( -1.736 -9.179 2.242) 9.607 3.049 ( 1.539 -13.569 -0.195) 13.657 3.471 ( 0.536 7.779 2.484) 8.184 3.738 ( 0.623 -4.367 2.320) 4.984 4.580 ( 4.401 5.201 5.405) 8.697 4.842 ( -4.586 -6.562 2.455) 8.374 6.537 ( 2.438 9.004 3.688) 10.031 6.687 ( -1.790 2.752 -0.781) 3.374 7.025 ( -4.323 11.364 -4.224) 12.871 7.289 ( 2.836 -1.765 0.105) 3.342 8.871 ( 5.669 20.527 18.662) 28.316 8.965 ( -19.116 29.568 13.314) 37.643 9.158 ( 22.071 33.559 -8.194) 40.994 9.469 ( -5.296 30.050 -14.341) 33.715 9.651 ( -20.738 0.923 20.082) 28.883 9.979 ( 9.223 -13.094 -26.980) 31.376 10.515 ( 37.388 -22.902 4.911) 44.119 10.705 ( -27.611 -23.158 -8.568) 37.041 11.780 ( 12.984 24.461 31.633) 42.042 12.474 ( -11.447 5.111 -15.625) 20.032 12.514 ( -19.389 1.438 -3.253) 19.713 12.996 ( 19.500 -6.525 -28.169) 34.876 16.106 ( -2.713 12.084 20.005) 23.528 16.347 ( 7.033 -1.471 22.564) 23.680 16.503 ( 1.016 10.712 -11.587) 15.812 16.670 ( -15.170 2.899 -9.727) 18.252 16.793 ( 15.526 16.542 1.002) 22.708 16.987 ( -8.600 4.814 -7.755) 12.541 17.730 ( -19.553 -24.127 1.819) 31.109 17.767 ( 19.792 -24.510 -1.707) 31.549 20.207 ( -4.122 -0.983 2.723) 5.037 20.354 ( 2.324 -6.839 3.135) 7.874 20.520 ( 2.643 -6.185 -2.130) 7.055 20.563 ( -1.093 -6.750 -3.844) 7.844 ======================= Grid point 178 (105/156) ======================= q-point: ( 0.15 -0.15 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 13.651 1.447 -0.000) 13.728 2.677 ( 1.378 10.245 0.000) 10.337 3.058 ( 17.034 -5.967 -0.000) 18.049 3.205 ( 13.706 4.614 -0.000) 14.462 3.528 ( -15.752 0.971 0.000) 15.782 4.247 ( -24.983 -12.124 0.000) 27.770 4.254 ( -8.190 5.922 0.000) 10.106 5.216 ( -9.349 0.984 0.000) 9.400 6.043 ( 12.660 -5.148 -0.000) 13.667 6.174 ( 16.982 -6.559 -0.000) 18.205 6.501 ( 8.472 -2.397 -0.000) 8.804 7.121 ( 43.270 16.235 -0.000) 46.216 7.208 ( 31.790 -17.349 -0.000) 36.216 7.423 ( 23.901 -14.731 -0.000) 28.076 7.888 ( 20.506 0.892 -0.000) 20.526 8.440 ( 35.670 -10.585 -0.000) 37.208 9.212 ( -5.385 -2.128 0.000) 5.790 9.963 ( 17.415 28.162 0.000) 33.112 11.015 ( -4.606 11.720 0.000) 12.592 11.069 ( -1.564 40.935 0.000) 40.965 11.282 ( -10.035 -20.767 -0.000) 23.065 12.368 ( -0.245 -25.709 -0.000) 25.710 13.767 ( 3.924 10.565 0.000) 11.270 13.772 ( -9.635 4.253 0.000) 10.532 14.731 ( 17.796 -9.105 -0.000) 19.990 15.130 ( 14.155 1.267 -0.000) 14.211 16.078 ( 11.246 29.990 0.000) 32.029 16.848 ( -16.338 -15.345 0.000) 22.415 17.054 ( -7.518 -13.736 -0.000) 15.659 17.219 ( 1.148 -7.990 -0.000) 8.072 18.302 ( 1.384 14.597 0.000) 14.663 18.422 ( -12.200 -16.606 -0.000) 20.605 20.367 ( -12.564 -7.551 0.000) 14.659 20.664 ( -6.516 -2.127 0.000) 6.855 20.891 ( -5.278 3.450 0.000) 6.306 21.098 ( -14.563 2.007 0.000) 14.701 ======================= Grid point 180 (106/156) ======================= q-point: ( 0.15 0.25 -0.65) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( -2.117 -1.593 0.674) 2.733 2.804 ( -1.373 2.193 1.359) 2.922 2.974 ( 10.547 -0.489 0.564) 10.574 3.056 ( 13.976 2.653 -1.235) 14.279 3.482 ( -7.289 -2.512 1.293) 7.818 3.729 ( 3.645 1.320 3.243) 5.054 4.568 ( -5.350 -3.714 6.375) 9.114 4.863 ( 7.747 3.032 0.738) 8.351 6.571 ( -8.033 -2.076 0.652) 8.322 6.643 ( -4.534 1.847 3.075) 5.782 6.978 ( -13.573 2.653 0.065) 13.830 7.338 ( 4.112 -1.091 -4.420) 6.135 8.806 ( -21.057 2.496 19.127) 28.557 9.115 ( -42.653 -20.974 -5.589) 47.858 9.252 ( -37.479 11.312 5.751) 39.569 9.347 ( -8.459 12.657 0.589) 15.235 9.451 ( -1.915 9.669 5.871) 11.473 10.158 ( 10.161 -23.781 -27.412) 37.686 10.559 ( 23.123 -29.543 5.886) 37.975 10.617 ( 22.211 36.524 -4.716) 43.007 11.790 ( -23.896 -13.059 31.256) 41.455 12.480 ( -8.932 10.280 -24.118) 27.698 12.500 ( 2.243 19.966 5.118) 20.733 12.998 ( 6.402 -18.833 -27.999) 34.346 16.096 ( -13.371 1.566 20.525) 24.546 16.340 ( 0.586 -7.874 22.513) 23.857 16.486 ( -7.605 2.055 -11.008) 13.536 16.697 ( -9.341 5.148 -7.443) 13.006 16.862 ( -5.760 -3.258 -8.802) 11.013 16.926 ( -9.983 5.181 -1.448) 11.340 17.732 ( 24.312 19.815 1.814) 31.416 17.765 ( 24.360 -20.012 -1.700) 31.571 20.186 ( 0.216 3.466 4.264) 5.499 20.386 ( 8.321 -1.975 1.547) 8.691 20.504 ( 5.331 -1.643 -2.236) 6.010 20.567 ( 6.802 0.360 -3.588) 7.698 ======================= Grid point 183 (107/156) ======================= q-point: ( 0.15 -0.15 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 7.998 -7.585 -0.000) 11.023 2.878 ( 0.458 8.033 0.000) 8.046 3.144 ( 2.819 -2.004 -0.000) 3.459 3.170 ( -11.917 -4.004 0.000) 12.571 3.575 ( 1.776 14.585 0.000) 14.693 3.596 ( -12.632 -10.341 0.000) 16.325 4.374 ( 2.778 10.351 0.000) 10.717 4.838 ( -15.327 -10.680 0.000) 18.681 6.205 ( 19.520 -11.586 -0.000) 22.699 6.306 ( 9.053 -8.057 -0.000) 12.119 6.655 ( 10.696 -2.745 -0.000) 11.043 7.324 ( 20.665 -18.060 -0.000) 27.445 7.547 ( 28.121 -23.489 -0.000) 36.640 8.407 ( 20.276 10.433 -0.000) 22.802 8.532 ( 61.338 7.131 -0.000) 61.751 8.746 ( 7.003 -12.290 -0.000) 14.145 9.042 ( 16.163 -18.290 -0.000) 24.409 9.932 ( -5.236 -61.195 -0.000) 61.418 10.890 ( 23.722 21.912 -0.000) 32.293 11.438 ( -20.179 20.918 0.000) 29.065 11.597 ( -12.684 26.368 0.000) 29.261 11.749 ( -11.095 -24.370 -0.000) 26.777 13.731 ( -4.791 4.764 0.000) 6.756 14.428 ( 8.004 35.005 0.000) 35.908 14.861 ( 18.972 -14.856 -0.000) 24.096 15.344 ( 9.552 -3.652 -0.000) 10.226 15.955 ( -10.704 -36.368 -0.000) 37.911 16.803 ( 8.425 13.348 0.000) 15.784 16.916 ( 1.622 -0.847 -0.000) 1.830 17.172 ( 5.906 6.172 0.000) 8.542 17.778 ( -19.412 -16.132 0.000) 25.240 18.579 ( -11.821 20.727 0.000) 23.861 20.042 ( -5.751 -3.803 0.000) 6.895 20.508 ( -7.050 1.447 0.000) 7.197 20.865 ( -6.694 6.614 0.000) 9.410 20.897 ( -11.385 4.748 0.000) 12.336 ======================= Grid point 187 (108/156) ======================= q-point: ( 0.15 0.65 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 10.338 -8.077 -2.050) 13.278 2.533 ( 24.040 -7.290 -5.025) 25.619 2.794 ( 2.827 7.703 3.304) 8.846 3.176 ( 10.878 6.919 -5.531) 14.028 3.929 ( -11.154 0.463 -6.425) 12.880 4.249 ( -16.758 -13.826 8.470) 23.318 4.545 ( -2.313 -0.070 -3.009) 3.796 5.280 ( -6.281 -9.541 3.704) 12.009 5.531 ( 7.822 -24.585 -2.791) 25.950 5.670 ( 24.167 -1.707 4.305) 24.606 6.021 ( 21.601 -20.746 3.695) 30.177 6.436 ( 6.503 -14.553 -7.494) 17.614 6.700 ( 13.346 -9.036 -15.119) 22.098 6.903 ( 12.468 4.547 -4.688) 14.075 7.459 ( 31.974 -13.627 -0.905) 34.769 7.697 ( 13.140 3.836 -4.016) 14.266 9.296 ( -5.032 -10.841 -6.330) 13.525 9.976 ( 1.845 -68.465 -1.414) 68.504 10.606 ( 2.379 30.081 -19.313) 35.826 11.789 ( -6.135 41.064 19.738) 45.973 12.042 ( -2.182 -11.115 -7.024) 13.328 12.130 ( -10.131 30.528 -2.908) 32.297 12.983 ( 3.999 -0.009 53.166) 53.316 13.529 ( 7.192 -0.119 38.343) 39.012 14.466 ( 12.798 -15.989 -25.693) 32.857 15.584 ( 4.362 3.608 -44.536) 44.894 16.415 ( 4.417 21.119 9.139) 23.432 16.912 ( 2.363 -8.636 10.286) 13.637 16.951 ( -0.955 -0.527 -2.627) 2.845 17.156 ( -30.180 0.352 2.053) 30.252 18.307 ( -5.626 -13.451 -0.957) 14.611 18.533 ( 12.195 13.891 -11.522) 21.781 20.440 ( -8.772 -7.985 0.171) 11.864 20.721 ( -1.841 -3.785 -2.836) 5.075 21.044 ( -2.132 3.660 0.100) 4.236 21.286 ( -7.570 0.652 6.142) 9.770 ======================= Grid point 188 (109/156) ======================= q-point: ( 0.15 -0.15 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( 13.116 -3.244 -0.000) 13.511 2.889 ( -9.136 -3.601 0.000) 9.820 3.001 ( -0.311 5.153 0.000) 5.163 3.144 ( -3.241 -9.597 -0.000) 10.130 3.450 ( 1.623 14.843 0.000) 14.931 3.851 ( -2.005 14.315 0.000) 14.455 4.333 ( -9.984 -11.013 -0.000) 14.865 4.720 ( 9.333 9.983 0.000) 13.666 6.221 ( 2.671 -10.892 -0.000) 11.215 6.321 ( 17.638 -14.184 -0.000) 22.633 6.779 ( 10.160 -6.217 -0.000) 11.911 7.275 ( 8.158 -16.081 -0.000) 18.032 7.543 ( 26.546 -32.158 -0.000) 41.699 8.298 ( -10.280 -21.000 -0.000) 23.382 8.564 ( -7.681 -62.031 -0.000) 62.505 8.925 ( 12.326 9.301 -0.000) 15.442 8.965 ( 19.983 -33.952 -0.000) 39.396 9.867 ( 58.048 5.382 -0.000) 58.297 10.897 ( -21.856 -23.138 -0.000) 31.829 11.445 ( -24.000 19.009 0.000) 30.616 11.599 ( -15.358 15.410 0.000) 21.757 11.758 ( 18.722 9.918 -0.000) 21.186 13.729 ( -4.848 4.643 0.000) 6.713 14.442 ( -34.783 -7.795 0.000) 35.646 14.871 ( 15.466 -18.527 -0.000) 24.134 15.345 ( 3.701 -9.215 -0.000) 9.931 15.920 ( 35.940 8.190 -0.000) 36.862 16.831 ( -16.376 -9.527 0.000) 18.946 16.867 ( -0.026 -0.808 -0.000) 0.809 17.201 ( -2.605 -4.083 -0.000) 4.843 17.780 ( 15.993 19.508 0.000) 25.226 18.576 ( -20.674 11.641 0.000) 23.726 20.072 ( 5.432 6.820 0.000) 8.719 20.484 ( -2.873 6.634 0.000) 7.229 20.842 ( -5.559 5.966 0.000) 8.155 20.916 ( -5.840 11.485 0.000) 12.885 ======================= Grid point 192 (110/156) ======================= q-point: ( 0.15 0.65 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 11.812 -8.803 -1.319) 14.790 2.821 ( 19.254 -8.936 -2.107) 21.331 3.001 ( 4.673 5.387 -2.347) 7.508 3.242 ( -3.730 -7.906 -3.316) 9.349 3.630 ( -12.869 -8.991 4.214) 16.254 3.901 ( 0.523 9.353 -5.186) 10.707 4.554 ( -1.478 3.142 1.754) 3.890 4.895 ( -8.666 -13.422 -2.173) 16.124 5.378 ( 24.302 -23.229 1.495) 33.651 5.827 ( 29.666 -41.427 -3.462) 51.071 6.092 ( 19.211 -2.512 -1.977) 19.475 6.499 ( 5.862 -2.471 -7.349) 9.720 6.969 ( 23.806 -11.256 -0.130) 26.333 7.334 ( 49.280 -10.991 -9.798) 51.432 7.800 ( 32.735 -20.971 -2.815) 38.978 8.148 ( 19.891 -12.768 5.841) 24.348 8.598 ( 4.408 -39.750 -11.473) 41.607 8.954 ( -7.468 -26.701 -3.686) 27.970 11.218 ( 4.543 23.390 -12.884) 27.088 11.708 ( -12.033 -7.694 -9.551) 17.181 12.152 ( -14.201 7.758 -4.730) 16.859 12.273 ( -17.963 29.603 18.844) 39.422 13.088 ( 1.962 0.605 61.294) 61.329 13.798 ( 18.062 -8.356 23.595) 30.867 14.717 ( 25.557 0.536 -8.755) 27.021 15.701 ( 2.425 -0.240 -43.808) 43.876 16.398 ( -40.908 5.470 -14.907) 43.881 16.678 ( 3.368 0.559 11.475) 11.972 16.766 ( 1.531 -7.065 9.055) 11.587 17.287 ( 9.079 18.716 -4.999) 21.394 17.846 ( -14.133 -12.344 -2.770) 18.968 19.072 ( 2.059 18.966 -1.049) 19.106 20.097 ( -6.166 -8.074 -3.550) 10.762 20.617 ( -1.525 -2.216 -2.007) 3.356 21.083 ( -3.309 6.141 2.187) 7.310 21.139 ( -8.910 2.292 3.986) 10.026 ======================= Grid point 193 (111/156) ======================= q-point: ( 0.15 -0.15 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( -4.515 -8.558 -0.000) 9.676 2.643 ( -17.112 -13.516 0.000) 21.806 2.724 ( 10.840 -9.064 -0.000) 14.130 3.090 ( 3.916 -6.932 -0.000) 7.962 3.743 ( -7.283 7.558 0.000) 10.496 4.152 ( -2.841 21.644 0.000) 21.830 4.299 ( 11.525 11.019 -0.000) 15.945 5.010 ( 4.273 2.830 -0.000) 5.125 6.040 ( -0.676 -7.170 -0.000) 7.202 6.324 ( 9.494 -15.442 -0.000) 18.127 6.787 ( 8.551 -13.515 -0.000) 15.993 7.012 ( -2.248 -15.992 -0.000) 16.150 7.213 ( -14.837 -41.811 -0.000) 44.366 7.368 ( 18.358 -28.049 -0.000) 33.523 7.713 ( 2.425 -29.572 -0.000) 29.671 8.552 ( 12.167 -36.311 -0.000) 38.296 9.241 ( 5.025 5.485 0.000) 7.438 9.978 ( -27.987 -17.438 0.000) 32.975 10.772 ( -1.571 3.947 0.000) 4.248 11.065 ( -46.576 8.284 0.000) 47.307 11.487 ( 14.177 6.008 -0.000) 15.398 12.357 ( 25.762 -0.172 -0.000) 25.762 13.767 ( -4.358 9.805 0.000) 10.730 13.792 ( -9.505 -4.359 0.000) 10.457 14.761 ( 10.187 -18.016 -0.000) 20.697 15.137 ( -1.236 -14.040 -0.000) 14.094 16.044 ( -30.694 -11.082 0.000) 32.633 16.814 ( 21.938 14.308 -0.000) 26.191 16.951 ( 4.432 6.010 0.000) 7.467 17.332 ( 9.949 2.494 -0.000) 10.257 18.298 ( -13.992 -0.799 0.000) 14.014 18.427 ( 15.633 11.930 -0.000) 19.665 20.423 ( 8.131 11.544 0.000) 14.120 20.640 ( 2.126 8.467 0.000) 8.730 20.872 ( -2.645 4.265 0.000) 5.019 21.089 ( -3.042 14.340 0.000) 14.659 ======================= Grid point 196 (112/156) ======================= q-point: ( 0.15 0.45 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 16.555 -12.869 1.181) 21.002 2.173 ( 21.091 -18.326 -2.953) 28.096 2.947 ( 9.074 -0.468 2.918) 9.543 2.989 ( 5.797 -10.952 6.207) 13.860 3.546 ( -6.336 -8.543 5.821) 12.125 3.835 ( 7.729 -12.924 3.072) 15.369 4.095 ( 20.460 -21.791 14.498) 33.221 4.334 ( 14.699 -33.350 10.530) 37.936 4.748 ( -0.731 -19.603 -15.475) 24.986 4.956 ( -5.136 -12.048 -8.785) 15.770 5.604 ( 35.223 -17.263 -9.276) 40.308 5.957 ( 35.084 -19.239 -7.024) 40.625 6.581 ( -2.843 -29.028 -1.977) 29.234 6.817 ( 9.465 -14.941 -13.721) 22.385 6.885 ( 12.959 -29.113 -12.266) 34.146 7.414 ( 5.414 -0.825 -16.734) 17.608 8.474 ( 7.858 3.377 -10.232) 13.336 8.787 ( -5.722 -14.428 -3.633) 15.941 11.621 ( 1.935 1.904 70.315) 70.367 11.978 ( -1.793 14.350 -17.375) 22.606 12.175 ( -7.142 2.315 -18.904) 20.341 12.523 ( -6.347 3.167 3.582) 7.946 12.726 ( -16.453 19.766 26.610) 37.007 13.117 ( 8.481 0.176 -4.594) 9.647 14.371 ( 10.807 -1.336 3.143) 11.334 16.205 ( 3.828 -2.413 21.366) 21.840 16.274 ( 2.151 -7.110 20.261) 21.580 16.569 ( -0.918 4.066 -37.382) 37.614 17.636 ( 2.339 14.832 -8.846) 17.427 17.802 ( -28.673 20.164 -10.185) 36.503 17.985 ( -10.698 -1.398 -6.592) 12.643 19.327 ( 11.776 13.835 -6.515) 19.301 20.044 ( -1.689 -18.326 -8.671) 20.344 20.496 ( 4.994 -10.970 -1.614) 12.161 21.148 ( -0.921 2.679 4.092) 4.977 21.185 ( -3.125 0.493 5.725) 6.541 ======================= Grid point 197 (113/156) ======================= q-point: ( 0.15 0.65 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 11.676 -10.840 -0.492) 15.940 2.802 ( 6.829 -19.493 -0.783) 20.670 2.950 ( -4.958 -8.195 -1.287) 9.664 3.172 ( 1.882 4.767 -7.322) 8.937 3.643 ( 9.133 11.161 1.292) 14.479 4.148 ( 0.675 9.747 0.938) 9.816 4.434 ( -7.651 -6.734 -6.631) 12.160 4.659 ( 5.714 -0.009 2.942) 6.427 5.500 ( 26.324 -16.757 3.605) 31.412 5.707 ( 33.158 -33.991 -4.920) 47.739 6.363 ( 15.057 -3.532 -6.813) 16.900 6.457 ( 5.464 -14.174 -1.011) 15.225 6.991 ( 7.996 -17.997 -2.042) 19.799 7.302 ( 13.283 -54.919 -9.078) 57.227 7.822 ( 23.063 -30.921 -2.511) 38.657 8.083 ( 2.999 -23.438 4.124) 23.986 8.582 ( 49.165 -4.054 -10.560) 50.449 8.972 ( 21.395 7.726 -3.471) 23.010 11.237 ( -23.387 -4.564 -13.060) 27.173 11.690 ( 7.918 11.972 -9.473) 17.198 12.139 ( -8.370 13.758 -4.271) 16.661 12.291 ( -28.459 18.593 18.314) 38.614 13.084 ( -0.834 -2.148 61.594) 61.637 13.809 ( 8.879 -17.830 23.357) 30.697 14.702 ( -0.865 -26.058 -8.002) 27.273 15.705 ( 0.530 -2.443 -43.825) 43.896 16.336 ( -6.920 34.041 -13.780) 37.370 16.677 ( 1.143 -3.068 11.654) 12.105 16.831 ( 6.209 5.293 7.002) 10.751 17.290 ( -18.812 -8.789 -4.843) 21.321 17.845 ( 12.669 13.980 -2.725) 19.062 19.066 ( -18.951 -2.292 -1.242) 19.130 20.117 ( 8.878 6.877 -3.244) 11.689 20.606 ( 1.829 1.025 -2.252) 3.077 21.048 ( -6.391 3.695 1.932) 7.631 21.168 ( -2.578 8.343 4.256) 9.715 ======================= Grid point 198 (114/156) ======================= q-point: ( 0.15 -0.15 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( -23.504 -9.883 0.000) 25.497 2.268 ( -12.236 -14.284 -0.000) 18.809 2.631 ( 6.938 -14.661 -0.000) 16.220 2.873 ( 4.909 -20.403 -0.000) 20.986 3.717 ( -8.761 8.273 0.000) 12.050 4.371 ( -21.438 15.736 0.000) 26.593 4.603 ( -1.111 -1.815 -0.000) 2.129 5.069 ( -2.326 4.832 0.000) 5.363 5.760 ( -16.376 -24.855 -0.000) 29.765 6.063 ( 6.163 6.013 -0.000) 8.611 6.531 ( -2.198 -3.913 -0.000) 4.488 6.582 ( -12.320 -10.976 0.000) 16.501 6.799 ( 12.897 -17.771 -0.000) 21.958 7.240 ( 8.540 -11.056 -0.000) 13.970 7.338 ( 11.472 -22.446 -0.000) 25.207 8.109 ( 5.749 -24.427 -0.000) 25.094 9.209 ( -22.611 -7.208 0.000) 23.733 9.348 ( -0.573 -0.629 -0.000) 0.851 10.065 ( -54.501 0.326 0.000) 54.502 10.147 ( -41.106 0.106 0.000) 41.107 12.310 ( 35.758 7.879 -0.000) 36.616 12.761 ( 22.140 -6.476 -0.000) 23.068 13.840 ( 2.327 10.646 0.000) 10.897 13.962 ( -1.141 14.484 0.000) 14.529 14.549 ( 2.715 -16.267 -0.000) 16.492 14.764 ( -4.545 -16.969 -0.000) 17.567 15.237 ( -32.150 -5.676 0.000) 32.647 17.286 ( 14.141 8.408 -0.000) 16.452 17.293 ( 10.866 3.155 -0.000) 11.315 17.678 ( 11.399 9.007 -0.000) 14.528 18.045 ( -1.941 -6.189 -0.000) 6.486 18.907 ( 14.991 5.241 -0.000) 15.880 20.721 ( 2.652 4.227 0.000) 4.990 20.833 ( 3.237 4.084 0.000) 5.211 20.901 ( -1.158 3.945 0.000) 4.112 21.324 ( -0.294 11.274 0.000) 11.278 ======================= Grid point 201 (115/156) ======================= q-point: ( 0.15 0.45 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 13.627 -16.798 1.311) 21.670 2.159 ( 17.193 -21.252 -2.435) 27.444 2.808 ( 1.954 -6.350 5.466) 8.603 3.137 ( 9.279 -8.697 2.732) 13.008 3.509 ( 7.777 4.402 4.160) 9.857 3.891 ( 20.334 -11.212 0.965) 23.240 4.146 ( 11.880 -8.242 24.748) 28.662 4.270 ( 35.835 -20.713 5.969) 41.818 4.672 ( 15.774 1.408 -13.717) 20.952 4.939 ( 12.659 0.924 -15.257) 19.846 5.791 ( 12.866 -42.775 -5.157) 44.965 5.869 ( 31.680 -22.650 -6.721) 39.520 6.629 ( 33.040 -3.291 -1.547) 33.240 6.744 ( 8.542 -5.046 -17.453) 20.075 6.887 ( 27.475 -12.495 -10.661) 32.011 7.436 ( 2.183 -6.119 -16.410) 17.649 8.427 ( -4.169 -6.119 -10.318) 12.700 8.818 ( 14.251 4.223 -3.658) 15.308 11.626 ( -1.269 -2.101 71.900) 71.942 11.986 ( -14.945 1.479 -19.881) 24.916 12.157 ( -2.609 7.645 -16.841) 18.678 12.517 ( -3.647 6.454 0.972) 7.477 12.737 ( -19.086 16.219 28.039) 37.597 13.122 ( 0.076 -8.279 -4.507) 9.427 14.355 ( 0.510 -10.841 3.427) 11.381 16.208 ( 2.488 -4.055 21.235) 21.761 16.268 ( 6.781 -1.827 19.830) 21.037 16.570 ( -3.870 0.868 -37.309) 37.519 17.633 ( -14.731 -0.783 -9.016) 17.289 17.845 ( -24.438 30.294 -10.203) 40.238 17.956 ( 6.170 7.462 -6.157) 11.474 19.321 ( -13.720 -11.796 -6.745) 19.310 20.058 ( 18.611 1.783 -8.433) 20.510 20.488 ( 10.662 -5.153 -1.857) 11.987 21.138 ( -3.059 1.357 3.860) 5.109 21.193 ( -0.277 2.716 6.105) 6.688 ======================= Grid point 202 (116/156) ======================= q-point: ( 0.15 0.65 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 10.672 -13.806 -0.958) 17.476 2.480 ( 4.280 -21.367 -3.764) 22.114 2.761 ( -5.628 -2.098 2.710) 6.590 3.096 ( -8.241 -6.322 -10.064) 14.463 4.083 ( 3.711 0.896 -0.691) 3.880 4.229 ( 3.668 16.437 0.071) 16.841 4.572 ( 4.514 11.241 -0.826) 12.142 4.836 ( 9.390 3.270 5.018) 11.138 5.694 ( 19.990 -13.038 -3.014) 24.056 5.740 ( 19.064 -14.810 1.389) 24.180 6.124 ( 12.256 -29.505 5.555) 32.429 6.610 ( 11.568 -1.652 -4.539) 12.536 6.665 ( 5.655 -10.821 -9.866) 15.698 6.908 ( 5.492 -17.245 -6.518) 19.236 7.347 ( -4.432 -26.712 -7.205) 28.019 7.682 ( 7.679 -16.796 -1.553) 18.534 9.317 ( 9.572 4.341 -6.672) 12.449 9.930 ( 66.897 -0.082 -0.688) 66.900 10.619 ( -30.176 -2.854 -19.338) 35.954 11.847 ( -38.827 4.258 19.008) 43.439 12.031 ( 12.967 2.124 -7.087) 14.929 12.102 ( -31.896 11.295 -2.177) 33.907 12.978 ( 0.058 -3.685 53.671) 53.797 13.534 ( -0.175 -7.551 37.457) 38.211 14.467 ( 17.204 -12.795 -24.984) 32.922 15.590 ( -3.453 -4.611 -44.778) 45.147 16.403 ( -21.493 -3.570 9.033) 23.586 16.827 ( 6.152 6.335 7.068) 11.310 16.941 ( 0.629 1.356 -3.077) 3.420 17.253 ( 0.818 21.018 5.957) 21.861 18.309 ( 13.998 5.366 -1.247) 15.043 18.530 ( -13.831 -12.149 -11.582) 21.749 20.468 ( 7.893 7.968 0.883) 11.250 20.713 ( 4.663 2.114 -3.495) 6.199 21.017 ( -3.856 3.055 0.031) 4.920 21.293 ( -1.301 7.180 6.134) 9.532 ======================= Grid point 203 (117/156) ======================= q-point: ( 0.20 -0.20 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( -21.304 -2.617 0.000) 21.465 2.080 ( -16.935 2.155 0.000) 17.071 2.512 ( 3.018 3.602 0.000) 4.699 2.600 ( 2.964 -2.416 -0.000) 3.824 3.822 ( -7.529 0.255 0.000) 7.534 4.501 ( -6.219 -6.113 0.000) 8.721 4.674 ( -21.843 9.109 0.000) 23.667 5.064 ( -23.370 -4.187 0.000) 23.743 5.615 ( 4.650 11.789 0.000) 12.673 6.027 ( 4.472 -6.909 -0.000) 8.230 6.421 ( -3.014 -11.226 -0.000) 11.624 6.502 ( -1.675 -1.903 -0.000) 2.535 6.598 ( 15.615 3.551 -0.000) 16.014 7.010 ( 9.527 -5.416 -0.000) 10.959 7.318 ( 2.811 19.531 0.000) 19.732 7.807 ( 8.128 -7.632 -0.000) 11.149 9.143 ( -22.940 -0.359 0.000) 22.942 9.319 ( -5.135 -2.152 0.000) 5.568 10.075 ( -51.613 1.286 0.000) 51.629 10.163 ( -41.673 1.276 0.000) 41.693 12.393 ( 41.126 -1.582 -0.000) 41.156 12.681 ( 18.114 0.976 -0.000) 18.140 14.052 ( 3.582 7.524 0.000) 8.333 14.070 ( 4.248 -10.060 -0.000) 10.920 14.440 ( -3.466 11.584 0.000) 12.091 14.456 ( -3.273 -10.843 -0.000) 11.326 15.190 ( -32.213 0.971 0.000) 32.227 17.336 ( 8.984 1.459 -0.000) 9.101 17.377 ( 15.817 0.115 -0.000) 15.817 17.863 ( 5.590 -11.417 -0.000) 12.712 17.882 ( 5.447 10.487 0.000) 11.817 18.958 ( 14.857 0.030 -0.000) 14.857 20.768 ( -1.083 1.066 0.000) 1.520 20.847 ( 4.167 -2.664 -0.000) 4.946 20.960 ( -0.335 1.128 0.000) 1.177 21.447 ( 0.255 0.343 0.000) 0.427 ======================= Grid point 205 (118/156) ======================= q-point: ( 0.20 0.20 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -0.000 0.000 16.198) 16.198 0.711 ( -0.000 0.000 16.198) 16.198 2.269 ( -0.000 0.000 36.441) 36.441 2.672 ( -0.000 0.000 5.308) 5.308 2.926 ( 0.000 -0.000 -6.086) 6.086 2.926 ( 0.000 -0.000 -6.086) 6.086 3.132 ( -0.000 0.000 34.319) 34.319 3.443 ( -0.000 0.000 2.108) 2.108 3.443 ( -0.000 0.000 2.108) 2.108 4.508 ( -0.000 0.000 0.064) 0.064 4.540 ( -0.000 0.000 0.997) 0.997 5.734 ( 0.000 -0.000 -23.982) 23.982 5.734 ( 0.000 -0.000 -23.982) 23.982 6.912 ( 0.000 -0.000 -6.650) 6.650 6.912 ( 0.000 -0.000 -6.650) 6.650 7.759 ( 0.000 -0.000 -13.704) 13.704 8.613 ( 0.000 -0.000 -4.616) 4.616 8.785 ( 0.000 -0.000 -8.266) 8.266 10.172 ( -0.000 0.000 70.275) 70.275 12.685 ( 0.000 -0.000 -21.438) 21.438 12.685 ( 0.000 -0.000 -21.438) 21.438 12.860 ( 0.000 -0.000 -24.181) 24.181 12.860 ( 0.000 -0.000 -24.181) 24.181 14.095 ( -0.000 0.000 12.719) 12.719 14.095 ( -0.000 0.000 12.719) 12.719 15.625 ( -0.000 0.000 29.081) 29.081 15.625 ( -0.000 0.000 29.081) 29.081 17.291 ( 0.000 -0.000 -24.711) 24.711 18.079 ( 0.000 -0.000 -9.187) 9.187 18.094 ( 0.000 -0.000 -9.624) 9.624 18.891 ( -0.000 0.000 3.955) 3.955 19.473 ( 0.000 -0.000 -3.195) 3.195 19.669 ( 0.000 -0.000 -0.384) 0.384 19.669 ( 0.000 -0.000 -0.384) 0.384 21.089 ( -0.000 0.000 5.824) 5.824 21.099 ( -0.000 0.000 5.609) 5.609 ======================= Grid point 206 (119/156) ======================= q-point: ( 0.20 0.40 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 15.065 -0.027 5.829) 16.153 1.953 ( 19.310 0.622 -7.489) 20.721 2.819 ( 2.940 5.386 6.587) 9.002 2.948 ( 6.713 -5.433 7.156) 11.215 3.566 ( 13.736 1.939 4.937) 14.724 3.781 ( 19.679 1.252 4.605) 20.250 3.927 ( 32.651 -6.643 7.060) 34.059 4.181 ( 23.987 2.052 23.048) 33.328 4.781 ( 22.940 5.684 -17.258) 29.264 5.052 ( 16.186 11.726 -14.965) 24.969 5.151 ( 15.383 -17.295 -8.787) 24.758 5.592 ( 26.899 0.166 -5.106) 27.379 6.615 ( 54.107 0.145 4.079) 54.261 6.717 ( 7.553 1.692 -16.082) 17.848 6.745 ( 3.576 -0.879 -14.509) 14.970 7.370 ( -1.006 -0.600 -19.113) 19.149 8.382 ( -2.985 1.328 -12.008) 12.445 8.854 ( 13.794 -0.812 -2.635) 14.067 11.602 ( -2.661 -0.159 72.737) 72.786 12.001 ( -15.425 -0.235 -19.232) 24.655 12.242 ( -3.259 0.595 -17.833) 18.138 12.618 ( -0.465 0.297 15.613) 15.623 12.815 ( 10.725 -0.335 -9.842) 14.560 13.104 ( -36.099 -0.422 18.965) 40.780 14.232 ( -1.212 0.672 0.356) 1.431 16.167 ( 2.529 -0.082 21.750) 21.897 16.250 ( 6.971 0.120 20.093) 21.269 16.578 ( -4.684 -0.049 -37.771) 38.061 17.608 ( -14.098 -0.091 -9.717) 17.123 18.022 ( 5.585 -0.605 -5.818) 8.087 18.276 ( -29.946 0.282 0.058) 29.948 19.090 ( -5.261 0.261 -19.376) 20.079 20.096 ( 17.431 -0.600 -2.761) 17.659 20.428 ( 15.032 0.434 -2.617) 15.265 21.154 ( -2.246 0.242 3.500) 4.166 21.219 ( 0.491 -0.194 6.293) 6.315 ======================= Grid point 207 (120/156) ======================= q-point: ( 0.20 0.60 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 10.818 -2.064 1.584) 11.127 2.211 ( 6.286 1.628 -9.157) 11.226 2.763 ( -8.591 1.022 4.731) 9.860 3.023 ( -9.173 1.895 -5.155) 10.692 4.072 ( 2.922 -3.098 -5.537) 6.985 4.428 ( 6.431 1.327 5.155) 8.349 4.584 ( 8.992 -3.500 0.909) 9.692 5.159 ( 3.141 23.604 7.196) 24.876 5.454 ( 18.593 -9.520 -1.026) 20.914 5.558 ( 20.038 -9.553 -4.106) 22.575 5.745 ( 21.742 1.284 3.342) 22.035 6.433 ( 12.484 -6.382 -9.620) 17.003 6.668 ( 5.103 -5.651 -8.369) 11.315 6.870 ( -5.575 5.402 -1.635) 7.934 6.950 ( 13.333 2.897 -9.325) 16.526 7.549 ( -1.268 1.534 -3.329) 3.879 9.355 ( 8.088 -0.627 -5.539) 9.823 9.941 ( 70.433 1.313 -1.169) 70.455 10.591 ( -31.203 -0.354 -19.656) 36.879 11.870 ( -43.622 -1.738 21.257) 48.557 12.055 ( 10.536 0.412 -6.866) 12.583 12.233 ( -39.522 0.905 -3.873) 39.722 12.931 ( 5.627 0.080 47.412) 47.745 13.464 ( 4.840 -0.091 46.781) 47.031 14.333 ( 18.659 -0.031 -27.073) 32.880 15.540 ( -4.570 -0.161 -46.995) 47.217 16.368 ( -22.654 0.260 9.030) 24.389 16.873 ( 7.469 1.291 9.943) 12.503 16.961 ( 4.049 0.320 -2.636) 4.842 17.551 ( -10.038 -1.861 13.712) 17.095 18.290 ( -0.538 0.347 -15.759) 15.772 18.408 ( 6.259 -0.109 -7.744) 9.958 20.546 ( 7.722 -0.904 2.335) 8.118 20.732 ( 5.406 0.298 -4.231) 6.871 21.056 ( -3.250 0.822 -0.394) 3.375 21.365 ( 0.045 -0.153 6.475) 6.477 ======================= Grid point 225 (121/156) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( 5.427 5.963 0.764) 8.099 2.968 ( -0.523 -5.685 1.004) 5.797 3.026 ( -2.663 -6.028 1.000) 6.665 3.156 ( -16.820 -6.282 -3.493) 18.291 3.412 ( 4.390 1.147 1.380) 4.743 3.789 ( -4.822 -3.154 3.144) 6.564 4.472 ( 5.486 4.950 10.319) 12.691 4.934 ( -3.667 -3.822 -2.718) 5.953 6.400 ( 10.538 12.739 3.272) 16.853 6.681 ( 2.292 0.041 -1.184) 2.580 6.978 ( 8.992 3.296 -5.136) 10.868 7.297 ( -3.168 2.917 -0.303) 4.317 8.467 ( 40.266 39.323 -5.242) 56.525 8.673 ( 13.278 11.635 19.508) 26.311 9.352 ( -15.826 26.047 15.686) 34.278 9.562 ( 27.965 -7.459 -15.170) 32.677 9.610 ( 10.169 7.933 -14.033) 19.060 9.705 ( 26.599 0.115 -10.885) 28.740 10.052 ( -17.077 8.633 19.818) 27.548 11.268 ( -25.126 -26.708 -6.372) 37.219 11.473 ( 18.143 18.970 37.637) 45.887 12.581 ( 2.301 11.133 -32.352) 34.292 12.601 ( 12.847 1.766 -34.286) 36.657 12.913 ( -15.278 -13.567 15.437) 25.608 16.025 ( 18.766 13.292 10.203) 25.158 16.187 ( 2.522 4.708 22.406) 23.034 16.374 ( 12.091 14.983 13.505) 23.517 16.495 ( 1.193 0.554 -15.407) 15.463 16.889 ( -6.282 -3.601 -17.559) 18.993 17.420 ( -1.115 -11.245 -2.450) 11.563 17.439 ( -10.598 -2.239 -2.585) 11.136 18.140 ( -20.761 -20.576 2.233) 29.315 20.251 ( -1.667 -3.223 -2.834) 4.604 20.421 ( -7.525 -5.625 4.714) 10.512 20.538 ( -4.685 -5.010 0.090) 6.860 20.626 ( -4.760 -4.941 -2.712) 7.378 ======================= Grid point 228 (122/156) ======================= q-point: ( 0.20 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 7.833 1.327 -0.000) 7.945 2.567 ( 18.534 4.994 -0.000) 19.195 2.678 ( 10.247 1.198 -0.000) 10.317 2.878 ( 16.248 9.875 -0.000) 19.013 3.813 ( -11.764 3.654 0.000) 12.318 4.430 ( -7.827 2.180 0.000) 8.125 4.676 ( -16.450 -10.635 0.000) 19.588 5.357 ( -5.095 8.682 0.000) 10.067 5.799 ( 19.931 -8.434 -0.000) 21.642 5.851 ( 5.713 -12.401 -0.000) 13.654 6.427 ( -1.404 0.270 0.000) 1.430 6.475 ( 17.470 5.047 -0.000) 18.184 6.658 ( 24.091 -14.553 -0.000) 28.145 6.918 ( 20.399 -14.150 -0.000) 24.827 7.637 ( 6.198 -3.614 -0.000) 7.174 7.740 ( 33.657 -11.191 -0.000) 35.469 9.309 ( -3.756 -0.482 0.000) 3.787 9.751 ( 5.260 32.193 0.000) 32.620 11.031 ( 2.401 7.644 0.000) 8.013 11.095 ( -1.460 48.228 0.000) 48.250 11.447 ( -6.665 -15.978 -0.000) 17.312 12.340 ( 2.305 -21.248 -0.000) 21.372 13.775 ( -5.206 -2.125 0.000) 5.623 13.978 ( -8.089 0.175 0.000) 8.090 14.428 ( 9.734 -7.334 -0.000) 12.187 14.818 ( 16.851 1.889 -0.000) 16.956 15.906 ( 6.083 31.671 0.000) 32.250 17.076 ( -5.571 -8.119 -0.000) 9.846 17.188 ( 1.704 -9.016 -0.000) 9.175 17.358 ( -22.169 -12.158 0.000) 25.284 18.153 ( 12.889 8.904 -0.000) 15.665 18.599 ( -5.796 -15.687 -0.000) 16.724 20.602 ( -10.215 -6.996 0.000) 12.381 20.747 ( -1.935 -2.427 -0.000) 3.104 20.973 ( -2.627 2.892 0.000) 3.907 21.347 ( -9.501 0.396 0.000) 9.510 ======================= Grid point 230 (123/156) ======================= q-point: ( 0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( -4.141 -5.758 1.715) 7.298 2.823 ( 4.141 5.758 1.715) 7.298 2.857 ( 4.263 -4.048 -1.126) 5.986 2.857 ( -4.263 4.048 -1.126) 5.986 3.622 ( -3.547 -6.423 2.452) 7.737 3.622 ( 3.547 6.423 2.452) 7.737 4.705 ( -6.365 -6.588 3.882) 9.949 4.705 ( 6.365 6.588 3.882) 9.949 6.671 ( -1.141 -4.068 2.028) 4.686 6.671 ( 1.141 4.068 2.028) 4.686 7.205 ( -2.809 -5.059 -2.343) 6.243 7.205 ( 2.809 5.059 -2.343) 6.243 9.135 ( -13.939 -7.577 25.957) 30.422 9.135 ( 13.939 7.576 25.957) 30.422 9.660 ( -0.303 -18.358 -23.836) 30.088 9.660 ( 0.303 18.358 -23.836) 30.088 9.990 ( 32.622 -28.466 6.496) 43.781 9.990 ( -32.622 28.466 6.496) 43.781 10.152 ( -18.276 -32.295 -9.667) 38.346 10.152 ( 18.276 32.295 -9.667) 38.346 12.213 ( -18.143 -18.467 25.537) 36.363 12.213 ( 18.143 18.467 25.537) 36.363 12.795 ( 13.586 -13.338 -32.633) 37.781 12.795 ( -13.586 13.338 -32.633) 37.781 16.277 ( 5.398 -5.766 22.123) 23.491 16.277 ( -5.398 5.766 22.123) 23.491 16.653 ( -7.405 -4.619 -14.901) 17.269 16.653 ( 7.405 4.619 -14.901) 17.269 17.233 ( -21.860 -23.385 1.228) 32.034 17.233 ( 21.860 23.385 1.228) 32.034 17.274 ( 19.831 -21.118 -1.572) 29.012 17.274 ( -19.831 21.118 -1.572) 29.012 20.244 ( -0.027 -3.103 3.784) 4.893 20.244 ( 0.027 3.103 3.784) 4.893 20.473 ( -2.053 -1.579 -3.748) 4.556 20.473 ( 2.053 1.579 -3.748) 4.556 ======================= Grid point 234 (124/156) ======================= q-point: ( 0.20 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 12.091 -7.203 -0.000) 14.074 2.857 ( 1.505 7.659 0.000) 7.805 2.936 ( 17.807 -6.252 -0.000) 18.872 3.283 ( 3.950 0.118 -0.000) 3.952 3.626 ( -9.548 9.575 0.000) 13.522 3.952 ( -21.432 -15.924 0.000) 26.701 4.399 ( -4.441 8.347 0.000) 9.455 5.121 ( -12.220 -10.058 0.000) 15.827 5.797 ( 19.900 -17.916 -0.000) 26.777 6.077 ( 13.617 -3.699 -0.000) 14.110 6.484 ( 6.326 -1.026 -0.000) 6.408 6.647 ( 34.458 -34.858 -0.000) 49.015 7.177 ( 22.409 -10.579 -0.000) 24.781 7.337 ( 53.381 1.004 -0.000) 53.390 7.984 ( 20.760 10.398 -0.000) 23.219 8.174 ( 36.666 -16.620 -0.000) 40.257 9.092 ( -8.117 -11.420 -0.000) 14.011 9.980 ( -0.255 -65.990 -0.000) 65.991 10.544 ( 10.986 29.452 0.000) 31.434 11.797 ( -15.463 18.103 0.000) 23.808 11.820 ( -9.916 34.677 0.000) 36.067 11.919 ( -6.660 -13.672 -0.000) 15.208 13.857 ( -7.104 3.563 0.000) 7.948 14.089 ( 20.407 22.159 0.000) 30.125 14.482 ( 17.808 -15.062 -0.000) 23.323 15.120 ( 13.216 -2.312 -0.000) 13.417 16.454 ( -34.387 -19.483 0.000) 39.523 16.629 ( 8.140 23.790 0.000) 25.144 16.911 ( -0.798 -4.312 -0.000) 4.385 17.079 ( 3.949 -4.500 -0.000) 5.987 18.103 ( -13.199 -15.457 -0.000) 20.326 18.651 ( 4.855 19.940 0.000) 20.523 20.224 ( -11.637 -7.139 0.000) 13.653 20.628 ( -4.765 -1.560 0.000) 5.014 20.981 ( -4.679 5.537 0.000) 7.249 21.141 ( -12.317 2.170 0.000) 12.507 ======================= Grid point 239 (125/156) ======================= q-point: ( 0.20 0.80 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 10.326 -6.532 -0.000) 12.219 3.000 ( 0.589 4.768 0.000) 4.804 3.069 ( -8.602 -6.084 0.000) 10.536 3.092 ( 8.699 -8.143 -0.000) 11.916 3.476 ( -5.256 2.260 0.000) 5.721 3.870 ( 0.459 14.816 0.000) 14.824 4.575 ( 4.217 8.952 0.000) 9.896 4.596 ( -15.222 -13.070 0.000) 20.063 5.897 ( 24.527 -17.875 -0.000) 30.349 6.110 ( 8.873 -13.627 -0.000) 16.261 6.587 ( 9.148 -4.955 -0.000) 10.404 6.712 ( 38.455 -33.658 -0.000) 51.104 7.259 ( 10.387 -11.911 -0.000) 15.804 8.384 ( 12.609 -29.033 -0.000) 31.653 8.483 ( 51.691 -0.568 -0.000) 51.695 8.489 ( 14.760 -45.868 -0.000) 48.185 8.735 ( 35.262 11.453 -0.000) 37.075 8.738 ( -8.336 -44.536 -0.000) 45.310 11.291 ( 15.921 18.214 0.000) 24.192 11.303 ( -18.582 -15.242 0.000) 24.034 11.818 ( -15.262 14.340 0.000) 20.942 12.069 ( -20.436 21.609 0.000) 29.742 13.826 ( -4.510 4.404 0.000) 6.303 14.520 ( 18.911 -18.485 -0.000) 26.444 15.146 ( -2.600 4.097 0.000) 4.853 15.222 ( 23.340 -13.844 -0.000) 27.137 15.328 ( -24.145 11.410 0.000) 26.705 16.853 ( 1.424 -2.413 -0.000) 2.802 16.899 ( 3.152 -0.999 -0.000) 3.307 17.481 ( -18.976 -13.764 0.000) 23.442 17.482 ( 13.969 18.996 0.000) 23.579 18.946 ( -14.654 14.268 0.000) 20.453 20.003 ( 1.010 0.403 -0.000) 1.088 20.547 ( -3.130 2.250 0.000) 3.855 20.991 ( -9.045 4.450 0.000) 10.080 21.027 ( -4.985 9.238 0.000) 10.498 ======================= Grid point 244 (126/156) ======================= q-point: ( 0.20 0.60 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 12.114 -9.480 -0.968) 15.413 2.353 ( 25.103 -10.816 -5.491) 27.880 2.915 ( 2.733 4.507 2.661) 5.904 3.225 ( 5.175 -2.615 -0.029) 5.799 3.882 ( -6.872 -8.711 2.952) 11.481 3.972 ( -10.620 -9.125 -2.902) 14.300 4.571 ( 1.098 1.192 3.013) 3.421 4.916 ( 7.346 -27.693 -0.350) 28.653 5.051 ( 3.600 -20.974 -2.373) 21.413 5.372 ( 13.787 -38.544 -0.928) 40.946 5.675 ( 28.817 -0.937 4.858) 29.239 6.188 ( 20.708 -13.253 -7.901) 25.824 6.526 ( 2.709 -7.244 -12.612) 14.794 6.850 ( 12.732 -11.355 -7.372) 18.584 7.198 ( 25.131 -10.649 -9.349) 28.850 7.806 ( 13.374 -2.785 6.374) 15.075 8.534 ( 2.250 -59.461 -10.835) 60.482 9.075 ( -4.415 -18.401 -2.560) 19.095 11.185 ( -0.147 27.431 -12.897) 30.312 11.887 ( -5.937 -2.637 -8.571) 10.754 12.448 ( -15.716 2.635 -2.628) 16.151 12.582 ( -12.407 36.815 20.983) 44.154 13.013 ( 7.130 0.620 48.175) 48.704 13.475 ( 11.999 -7.208 36.360) 38.961 14.271 ( 18.308 0.011 -15.072) 23.714 15.649 ( 2.157 3.037 -48.083) 48.227 16.595 ( 2.348 -0.884 14.377) 14.594 16.729 ( 1.777 -8.940 9.493) 13.161 17.149 ( 2.465 17.423 -6.793) 18.862 17.273 ( -39.465 11.822 -5.334) 41.541 18.059 ( -7.226 -11.165 -2.246) 13.487 18.849 ( 18.973 17.404 -8.797) 27.208 20.258 ( -8.565 -10.925 0.194) 13.884 20.623 ( 1.076 -6.333 -2.629) 6.941 21.125 ( -1.061 4.366 1.174) 4.644 21.289 ( -5.736 -0.278 4.703) 7.422 ======================= Grid point 245 (127/156) ======================= q-point: ( 0.20 -0.20 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 13.470 -12.468 -0.000) 18.355 2.825 ( -7.299 -2.040 0.000) 7.579 2.853 ( -2.223 -17.454 -0.000) 17.595 3.054 ( -1.511 -2.020 -0.000) 2.522 3.833 ( 3.414 20.809 0.000) 21.088 4.144 ( -2.074 -6.803 -0.000) 7.112 4.189 ( -0.814 19.613 0.000) 19.630 4.858 ( 9.800 3.256 -0.000) 10.327 5.981 ( 7.714 -14.294 -0.000) 16.243 6.026 ( 19.988 -14.506 -0.000) 24.697 6.611 ( 8.723 -11.512 -0.000) 14.443 6.778 ( 25.447 -23.200 -0.000) 34.435 7.133 ( 4.999 -15.591 -0.000) 16.373 7.345 ( 3.708 -57.835 -0.000) 57.954 7.815 ( -14.230 -26.510 -0.000) 30.088 8.247 ( 18.756 -36.464 -0.000) 41.005 9.109 ( 9.926 8.711 -0.000) 13.206 9.922 ( 63.175 0.796 -0.000) 63.180 10.560 ( -29.624 -10.821 0.000) 31.538 11.792 ( -25.448 15.718 0.000) 29.911 11.848 ( -9.516 9.586 0.000) 13.507 11.917 ( -1.047 6.773 0.000) 6.854 13.854 ( -3.774 7.341 0.000) 8.254 14.092 ( -21.198 -21.373 -0.000) 30.102 14.497 ( 15.715 -17.913 -0.000) 23.830 15.127 ( 2.253 -13.077 -0.000) 13.270 16.350 ( 14.744 27.391 0.000) 31.107 16.662 ( -22.245 -4.994 0.000) 22.799 16.878 ( 3.449 1.588 -0.000) 3.797 17.155 ( 7.074 -0.179 -0.000) 7.076 18.106 ( 15.539 13.209 -0.000) 20.395 18.646 ( -19.636 -4.855 0.000) 20.227 20.265 ( 7.987 11.779 0.000) 14.232 20.606 ( 1.367 5.073 0.000) 5.254 20.947 ( -5.011 4.429 0.000) 6.688 21.156 ( -3.371 11.909 0.000) 12.377 ======================= Grid point 249 (128/156) ======================= q-point: ( 0.20 0.60 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 12.300 -10.936 -0.054) 16.458 2.560 ( 18.069 -18.435 -2.045) 25.894 3.042 ( -3.203 -8.885 -0.481) 9.457 3.099 ( 4.908 2.547 -3.908) 6.771 3.539 ( 0.074 -0.625 2.320) 2.404 4.017 ( 10.087 0.752 -2.047) 10.320 4.569 ( -3.530 -3.262 5.964) 7.660 4.660 ( -2.668 -7.338 -2.421) 8.175 4.905 ( 34.484 -35.653 -1.203) 49.615 4.984 ( 30.633 -26.153 -0.111) 40.279 6.080 ( 16.018 -1.990 -3.067) 16.430 6.390 ( 1.441 -9.949 -7.686) 12.654 6.738 ( 24.043 -12.395 -0.047) 27.050 7.023 ( 13.155 -64.819 -3.470) 66.232 7.050 ( 55.243 -15.721 -4.663) 57.625 7.382 ( 23.149 -19.649 -12.457) 32.820 8.520 ( -9.778 -16.891 -4.418) 20.011 8.593 ( 16.109 8.438 -5.003) 18.860 11.626 ( -0.968 16.867 -9.531) 19.397 11.643 ( -16.599 0.708 -9.886) 19.333 12.251 ( -4.848 4.210 -6.397) 9.064 12.826 ( -25.305 25.985 16.507) 39.850 13.063 ( 3.494 -3.587 56.779) 56.999 13.516 ( 16.338 -16.016 22.632) 32.182 14.651 ( 8.537 -9.380 2.409) 12.910 15.703 ( -0.167 0.295 -48.676) 48.677 16.582 ( -3.679 1.164 5.225) 6.495 16.619 ( 3.327 -5.280 10.607) 12.307 16.884 ( -24.326 29.171 -9.647) 39.188 17.628 ( 5.107 11.112 -4.177) 12.923 17.638 ( -11.241 -4.943 -4.576) 13.104 19.372 ( -8.373 7.615 0.958) 11.359 19.934 ( 7.300 -5.968 -5.059) 10.701 20.556 ( 3.415 -4.176 -1.483) 5.594 21.176 ( -6.175 1.444 2.855) 6.955 21.202 ( -0.924 5.595 3.142) 6.483 ======================= Grid point 250 (129/156) ======================= q-point: ( 0.20 -0.20 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 7.565 -16.021 -0.000) 17.717 2.382 ( -13.070 -13.555 -0.000) 18.830 2.643 ( -8.261 -3.510 0.000) 8.975 2.812 ( -1.102 -15.895 -0.000) 15.933 3.890 ( -8.620 6.752 0.000) 10.950 4.499 ( 10.647 6.313 -0.000) 12.378 4.604 ( -3.909 21.845 0.000) 22.192 5.043 ( 5.150 3.157 -0.000) 6.041 5.925 ( 8.815 -5.516 -0.000) 10.399 5.951 ( -0.676 -20.031 -0.000) 20.043 6.482 ( 12.334 -18.847 -0.000) 22.524 6.603 ( 2.138 -16.591 -0.000) 16.728 6.751 ( -3.926 -8.100 -0.000) 9.001 6.990 ( 15.297 -9.095 -0.000) 17.797 7.178 ( 2.046 -22.981 -0.000) 23.071 7.916 ( 12.541 -25.108 -0.000) 28.066 9.327 ( 1.866 2.928 0.000) 3.472 9.762 ( -32.202 -5.676 0.000) 32.698 10.852 ( -6.363 4.438 0.000) 7.758 11.151 ( -52.456 0.893 0.000) 52.464 11.559 ( 18.284 1.404 -0.000) 18.338 12.327 ( 21.045 -2.038 -0.000) 21.143 13.783 ( 3.289 4.058 0.000) 5.224 13.985 ( -0.419 9.483 0.000) 9.492 14.440 ( 7.971 -11.684 -0.000) 14.144 14.827 ( -1.913 -16.726 -0.000) 16.835 15.883 ( -32.335 -5.132 0.000) 32.740 17.067 ( 8.689 4.984 -0.000) 10.017 17.071 ( 10.879 8.300 -0.000) 13.684 17.471 ( 9.231 13.795 0.000) 16.599 18.151 ( -8.932 -13.221 -0.000) 15.956 18.602 ( 15.577 5.714 -0.000) 16.592 20.629 ( 5.921 8.435 0.000) 10.306 20.757 ( 4.334 2.895 -0.000) 5.211 20.944 ( -2.909 3.069 0.000) 4.228 21.339 ( -0.995 9.789 0.000) 9.840 ======================= Grid point 253 (130/156) ======================= q-point: ( 0.20 0.40 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 14.421 -14.786 4.033) 21.044 1.717 ( 25.507 -25.514 1.333) 36.102 2.736 ( 4.333 -8.342 11.365) 14.749 2.937 ( 8.995 -5.284 4.126) 11.219 3.401 ( 13.932 -14.634 0.771) 20.220 3.504 ( 20.122 -13.573 -2.744) 24.427 3.532 ( 11.746 -19.595 -1.338) 22.885 3.951 ( 17.429 -11.524 19.737) 28.742 4.376 ( 10.964 -16.940 3.711) 20.517 4.775 ( 5.811 -6.435 -9.001) 12.498 5.117 ( 32.099 -26.714 2.695) 41.848 5.673 ( 5.537 -36.261 -10.202) 38.074 5.698 ( 36.916 -8.074 -8.875) 38.817 6.682 ( 0.517 -2.182 -17.168) 17.314 6.721 ( 3.924 -2.810 -16.059) 16.769 7.406 ( 0.978 -0.558 -20.460) 20.491 8.530 ( -0.895 -2.839 -5.097) 5.902 8.625 ( 2.440 0.956 -7.752) 8.183 11.637 ( -0.166 0.231 76.948) 76.948 12.206 ( -3.797 7.183 -17.225) 19.045 12.228 ( -6.925 3.169 -17.540) 19.122 12.506 ( 0.256 -0.061 -13.420) 13.423 12.728 ( 9.731 -9.730 -1.058) 13.802 13.543 ( -28.420 28.838 20.853) 45.543 14.343 ( 2.184 -2.811 7.977) 8.735 16.157 ( 3.112 -2.540 20.438) 20.829 16.163 ( 2.734 -3.300 20.304) 20.751 16.629 ( -2.040 2.056 -38.438) 38.547 17.855 ( -3.463 1.296 -8.079) 8.885 17.864 ( -1.023 3.600 -8.364) 9.163 18.383 ( -29.044 28.951 -9.584) 42.113 19.585 ( -11.423 -7.619 -0.535) 13.741 19.600 ( 25.780 -6.458 -7.889) 27.723 20.249 ( 12.889 -13.267 -0.964) 18.522 21.185 ( -1.235 0.652 5.194) 5.378 21.196 ( -0.469 1.038 4.883) 5.014 ======================= Grid point 254 (131/156) ======================= q-point: ( 0.20 0.60 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 11.085 -13.674 -0.610) 17.613 2.333 ( 9.836 -24.769 -4.747) 27.070 2.853 ( -3.472 -1.010 3.924) 5.336 3.199 ( -1.308 -2.655 -5.540) 6.281 3.826 ( 14.839 6.568 3.721) 16.648 4.266 ( 7.626 1.464 2.056) 8.033 4.395 ( 4.013 1.881 -5.936) 7.408 4.720 ( 2.906 10.161 5.298) 11.822 5.134 ( 37.575 -19.587 -3.973) 42.560 5.241 ( 28.240 -11.273 3.034) 30.558 5.891 ( 10.538 -39.933 0.734) 41.307 6.349 ( 16.254 -2.802 -5.095) 17.263 6.502 ( 9.239 -11.933 -14.626) 21.016 6.745 ( 10.143 -14.828 -4.512) 18.523 7.264 ( 10.618 -22.876 -11.507) 27.721 7.725 ( -1.378 -11.357 6.263) 13.043 8.525 ( 62.612 -1.842 -10.140) 63.455 9.088 ( 16.189 3.883 -2.443) 16.827 11.198 ( -27.351 -0.374 -13.084) 30.322 11.874 ( 2.665 6.452 -8.524) 11.018 12.430 ( -2.815 15.662 -2.158) 16.059 12.604 ( -36.217 12.044 20.500) 43.325 13.011 ( -0.984 -6.570 49.530) 49.974 13.484 ( 7.417 -12.406 35.193) 38.046 14.254 ( 0.266 -17.934 -14.775) 23.238 15.652 ( -2.900 -2.284 -48.127) 48.268 16.583 ( 0.616 -1.111 13.319) 13.379 16.696 ( 7.093 1.075 8.441) 11.077 17.143 ( -17.672 -1.527 -7.404) 19.221 17.339 ( -10.259 34.926 -2.493) 36.486 18.052 ( 11.639 6.774 -2.440) 13.686 18.842 ( -17.209 -18.895 -9.026) 27.104 20.284 ( 11.202 8.323 0.771) 13.976 20.604 ( 6.479 -1.121 -3.294) 7.354 21.104 ( -4.783 2.021 1.060) 5.299 21.305 ( 0.099 4.974 4.895) 6.979 ======================= Grid point 255 (132/156) ======================= q-point: ( 0.25 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( -2.260 -9.290 -0.000) 9.561 2.209 ( 3.791 8.416 0.000) 9.230 2.597 ( -11.282 0.483 0.000) 11.292 2.670 ( -11.684 2.789 0.000) 12.013 3.952 ( -5.218 -1.642 0.000) 5.470 4.532 ( 2.078 -2.246 -0.000) 3.059 4.843 ( 3.700 0.491 -0.000) 3.732 5.287 ( 0.000 18.852 0.000) 18.852 5.619 ( -3.066 -11.500 -0.000) 11.902 5.827 ( 15.081 -2.908 -0.000) 15.359 6.235 ( 20.491 3.650 -0.000) 20.814 6.473 ( -0.184 -2.776 -0.000) 2.782 6.554 ( -2.181 -10.468 -0.000) 10.693 6.822 ( 6.238 -9.972 -0.000) 11.762 7.159 ( 12.019 22.914 0.000) 25.875 7.620 ( 9.421 -5.490 -0.000) 10.904 9.352 ( 0.207 -0.464 -0.000) 0.508 9.708 ( -33.153 -0.327 0.000) 33.155 10.949 ( -8.565 5.070 0.000) 9.953 11.132 ( -52.780 -2.015 0.000) 52.819 11.544 ( 19.100 -2.943 -0.000) 19.326 12.307 ( 18.691 0.445 -0.000) 18.696 13.932 ( 8.829 9.287 0.000) 12.814 13.948 ( 8.490 -10.346 -0.000) 13.384 14.493 ( -1.918 14.340 0.000) 14.468 14.505 ( -1.703 -14.245 -0.000) 14.346 15.839 ( -32.533 0.613 0.000) 32.539 17.124 ( 10.428 0.414 -0.000) 10.436 17.153 ( 9.337 1.997 -0.000) 9.548 17.803 ( -0.033 -21.094 -0.000) 21.094 17.826 ( -0.284 19.054 0.000) 19.056 18.657 ( 15.229 -0.090 -0.000) 15.229 20.740 ( 3.339 2.789 -0.000) 4.350 20.746 ( 5.897 -4.023 -0.000) 7.139 20.988 ( -2.418 1.045 0.000) 2.635 21.443 ( 0.245 0.236 -0.000) 0.341 ======================= Grid point 258 (133/156) ======================= q-point: ( 0.25 0.35 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 11.475 0.296 10.273) 15.404 1.447 ( 30.877 -0.135 1.397) 30.908 2.681 ( 6.787 1.047 12.228) 14.025 2.852 ( 4.744 -0.334 5.391) 7.189 3.108 ( 27.339 -0.241 -2.408) 27.446 3.318 ( 29.361 -0.164 -5.770) 29.923 3.529 ( 6.468 2.484 2.845) 7.490 3.733 ( 23.995 -4.953 4.036) 24.831 4.232 ( 21.752 3.640 29.777) 37.055 4.720 ( 17.887 -2.521 -4.068) 18.517 4.772 ( 16.563 0.707 1.328) 16.632 5.332 ( 3.670 0.645 -16.385) 16.803 5.625 ( 34.837 -0.387 -10.507) 36.389 6.670 ( 0.415 0.874 -16.954) 16.982 6.691 ( 2.050 -0.764 -16.185) 16.333 7.397 ( -0.903 -0.107 -21.898) 21.917 8.489 ( -4.435 0.609 -6.859) 8.190 8.653 ( 5.823 -0.520 -6.399) 8.668 11.638 ( -1.304 -0.014 77.950) 77.961 12.241 ( -8.052 -0.475 -16.929) 18.752 12.300 ( -1.961 0.671 -15.943) 16.077 12.538 ( 4.182 -0.479 -8.748) 9.708 12.587 ( 9.257 0.330 -13.088) 16.034 13.894 ( -36.448 -0.287 19.984) 41.568 14.281 ( -2.354 0.352 6.862) 7.263 16.121 ( 1.792 -0.038 20.432) 20.511 16.140 ( 3.836 0.030 20.041) 20.405 16.650 ( -2.484 -0.002 -38.754) 38.833 17.828 ( -7.660 -0.045 -8.956) 11.785 17.936 ( 3.029 -0.044 -7.980) 8.536 18.899 ( -31.664 -0.304 -1.907) 31.722 19.093 ( 5.780 0.497 -10.711) 12.181 19.771 ( 12.255 -0.428 2.831) 12.585 20.061 ( 21.896 0.260 -2.291) 22.017 21.189 ( -1.228 0.083 4.804) 4.959 21.209 ( 0.399 -0.081 5.371) 5.387 ======================= Grid point 259 (134/156) ======================= q-point: ( 0.25 0.55 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 12.106 -0.851 3.892) 12.745 2.041 ( 10.766 0.751 -10.847) 15.301 2.889 ( -4.027 2.110 4.889) 6.676 3.135 ( -1.487 0.030 2.085) 2.561 3.912 ( 11.645 2.106 0.423) 11.842 4.180 ( 17.637 -7.819 1.953) 19.391 4.505 ( 2.276 5.522 -0.123) 5.974 4.893 ( 33.044 -5.769 -5.015) 33.917 5.058 ( 14.680 15.916 12.683) 25.094 5.116 ( 22.042 4.598 -8.487) 24.063 5.305 ( 18.972 -12.423 -3.345) 22.923 6.124 ( 18.586 -9.715 -0.596) 20.980 6.562 ( 5.668 -4.734 -9.634) 12.139 6.602 ( 15.351 12.809 -10.157) 22.425 6.977 ( -0.342 -4.343 -14.147) 14.803 7.643 ( -0.247 2.601 5.796) 6.358 8.509 ( 65.216 0.235 -10.210) 66.011 9.123 ( 15.092 -0.366 -2.133) 15.247 11.194 ( -28.640 -0.364 -12.936) 31.428 11.942 ( 0.692 0.351 -8.355) 8.391 12.690 ( -28.107 0.939 6.038) 28.763 12.758 ( -10.189 1.201 -2.407) 10.538 12.807 ( -1.494 -2.335 47.691) 47.772 13.372 ( 2.586 -0.182 55.643) 55.704 14.063 ( 4.274 0.603 -19.097) 19.578 15.627 ( -4.208 -0.079 -49.710) 49.888 16.569 ( 1.004 0.183 14.936) 14.971 16.704 ( 8.857 0.620 9.648) 13.112 17.112 ( -17.045 0.049 -8.313) 18.965 17.846 ( -19.197 -2.693 9.187) 21.452 18.116 ( 10.138 1.480 -2.199) 10.479 18.519 ( -9.706 0.320 -21.980) 24.030 20.373 ( 10.067 -1.133 3.564) 10.739 20.590 ( 9.124 0.966 -4.825) 10.367 21.129 ( -3.987 0.552 0.734) 4.092 21.352 ( 1.239 -0.395 5.046) 5.210 ======================= Grid point 285 (135/156) ======================= q-point: ( 0.25 -0.25 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 8.974 -7.342 -0.000) 11.595 2.475 ( 26.177 -8.050 -0.000) 27.387 2.832 ( 1.014 7.971 0.000) 8.035 3.109 ( 10.362 10.507 0.000) 14.757 3.853 ( -10.690 0.787 0.000) 10.719 4.361 ( -17.822 -18.778 -0.000) 25.889 4.492 ( -3.339 4.264 0.000) 5.416 5.300 ( -6.742 -13.311 -0.000) 14.921 5.488 ( 9.877 -23.102 -0.000) 25.125 5.752 ( 20.777 2.043 -0.000) 20.878 6.119 ( 22.959 -30.479 -0.000) 38.158 6.397 ( 23.561 -17.031 -0.000) 29.072 6.428 ( -1.363 -1.403 -0.000) 1.956 6.860 ( 13.276 2.218 -0.000) 13.460 7.459 ( 33.994 -16.945 -0.000) 37.983 7.652 ( 12.158 6.700 -0.000) 13.882 9.235 ( -5.761 -8.508 -0.000) 10.275 9.961 ( 1.771 -70.263 -0.000) 70.285 10.421 ( 2.657 34.174 0.000) 34.277 11.968 ( -2.766 -11.142 -0.000) 11.480 11.994 ( -7.617 41.982 0.000) 42.667 12.084 ( -8.419 29.342 0.000) 30.526 13.766 ( 10.063 3.406 -0.000) 10.624 13.888 ( 7.790 -11.373 -0.000) 13.786 14.304 ( -4.348 -2.695 0.000) 5.116 14.831 ( 15.569 -0.596 -0.000) 15.580 16.500 ( 4.667 27.377 0.000) 27.772 16.930 ( -1.161 -7.196 -0.000) 7.290 17.013 ( 2.641 -8.025 -0.000) 8.449 17.185 ( -37.041 -4.337 0.000) 37.294 18.299 ( -6.659 -14.399 -0.000) 15.864 18.401 ( 19.637 15.760 -0.000) 25.179 20.455 ( -10.638 -7.977 0.000) 13.296 20.685 ( -0.765 -3.800 -0.000) 3.877 21.044 ( -1.680 4.205 0.000) 4.528 21.349 ( -7.908 -0.240 0.000) 7.912 ======================= Grid point 290 (136/156) ======================= q-point: (-0.75 -0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 12.255 -8.023 -0.000) 14.648 2.794 ( 20.502 -8.753 -0.000) 22.292 2.979 ( 2.238 4.350 0.000) 4.891 3.205 ( -4.264 -6.936 -0.000) 8.142 3.674 ( -14.201 -10.775 0.000) 17.826 3.845 ( 0.925 10.723 0.000) 10.763 4.561 ( -1.870 7.097 0.000) 7.339 4.870 ( -10.500 -13.935 -0.000) 17.448 5.387 ( 25.563 -22.301 -0.000) 33.923 5.788 ( 25.996 -40.509 -0.000) 48.133 6.086 ( 17.812 -5.907 -0.000) 18.766 6.428 ( 6.391 -4.616 -0.000) 7.884 6.970 ( 25.935 -10.426 -0.000) 27.952 7.231 ( 54.285 -9.492 -0.000) 55.108 7.766 ( 35.882 -24.682 -0.000) 43.551 8.260 ( 21.454 15.364 -0.000) 26.388 8.437 ( 1.579 -67.678 -0.000) 67.696 8.916 ( -8.339 -26.488 -0.000) 27.770 11.095 ( 4.585 25.566 0.000) 25.974 11.617 ( -12.846 -8.232 0.000) 15.257 12.104 ( -14.635 6.677 0.000) 16.086 12.445 ( -17.479 28.677 0.000) 33.584 13.830 ( 8.408 -10.150 -0.000) 13.180 14.234 ( 4.731 -5.511 -0.000) 7.263 14.555 ( 30.746 19.699 -0.000) 36.515 15.031 ( 10.646 -7.008 -0.000) 12.745 16.235 ( -49.842 1.859 0.000) 49.877 16.817 ( 1.944 -3.355 -0.000) 3.878 16.834 ( 2.693 -3.481 -0.000) 4.401 17.235 ( 10.670 18.659 0.000) 21.494 17.818 ( -14.295 -13.106 0.000) 19.393 19.060 ( 4.894 20.389 0.000) 20.968 20.068 ( -7.917 -8.977 -0.000) 11.970 20.596 ( -1.474 -1.915 -0.000) 2.417 21.104 ( -2.721 6.683 0.000) 7.215 21.179 ( -9.348 1.619 0.000) 9.487 ======================= Grid point 296 (137/156) ======================= q-point: ( 0.25 0.75 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 11.482 -11.247 -0.000) 16.072 2.785 ( 7.571 -21.304 -0.000) 22.610 2.952 ( -5.513 -4.770 0.000) 7.290 3.082 ( 0.410 3.110 0.000) 3.137 3.657 ( 9.203 12.685 0.000) 15.671 4.156 ( 5.060 13.533 0.000) 14.448 4.355 ( -14.270 -9.922 0.000) 17.380 4.689 ( 5.690 2.252 -0.000) 6.119 5.554 ( 27.122 -15.578 -0.000) 31.277 5.639 ( 29.634 -31.447 -0.000) 43.210 6.291 ( 18.518 -8.043 -0.000) 20.189 6.445 ( 7.859 -9.858 -0.000) 12.607 7.002 ( 9.108 -14.064 -0.000) 16.756 7.186 ( 10.047 -65.147 -0.000) 65.917 7.795 ( 26.325 -35.509 -0.000) 44.203 8.157 ( -17.468 -23.085 -0.000) 28.949 8.448 ( 69.668 -2.283 -0.000) 69.706 8.936 ( 21.363 8.491 -0.000) 22.988 11.113 ( -25.465 -4.670 0.000) 25.890 11.600 ( 8.297 12.814 0.000) 15.266 12.093 ( -7.275 14.259 0.000) 16.007 12.461 ( -27.478 18.003 0.000) 32.850 13.833 ( 9.919 -7.706 -0.000) 12.561 14.235 ( 6.040 -5.198 -0.000) 7.968 14.546 ( -19.501 -31.607 -0.000) 37.139 15.039 ( 7.066 -10.731 -0.000) 12.849 16.178 ( -3.813 45.466 0.000) 45.626 16.804 ( 3.996 -2.020 -0.000) 4.478 16.895 ( 3.202 2.082 -0.000) 3.820 17.241 ( -18.016 -10.028 0.000) 20.619 17.817 ( 13.410 14.103 0.000) 19.460 19.052 ( -20.403 -5.163 0.000) 21.046 20.091 ( 9.948 8.750 -0.000) 13.248 20.581 ( 1.381 0.775 -0.000) 1.583 21.067 ( -6.861 3.140 0.000) 7.545 21.211 ( -2.012 8.787 0.000) 9.014 ======================= Grid point 301 (138/156) ======================= q-point: ( 0.25 0.55 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 13.057 -10.500 0.563) 16.765 2.099 ( 25.747 -15.189 -3.500) 30.097 2.977 ( 4.354 1.873 0.924) 4.829 3.086 ( 0.454 -10.177 2.937) 10.603 3.637 ( -7.144 -11.490 3.495) 13.974 3.826 ( 7.623 -11.676 -1.683) 14.045 4.225 ( 21.971 -39.075 3.366) 44.955 4.457 ( 18.343 -33.775 -6.264) 38.942 4.622 ( -0.738 -0.540 2.912) 3.053 4.824 ( -4.433 -15.398 -4.815) 16.731 5.600 ( 38.845 -6.909 6.804) 40.037 5.900 ( 26.349 -15.698 2.603) 30.781 6.401 ( -1.830 -6.414 -12.541) 14.204 6.566 ( 12.431 -12.832 -8.660) 19.854 6.819 ( 7.512 -69.293 2.547) 69.745 7.038 ( 11.109 -6.678 -21.517) 25.120 8.291 ( 11.220 10.373 -7.737) 17.127 8.722 ( -7.403 -16.610 -2.641) 18.376 11.664 ( -2.389 20.397 -9.027) 22.432 11.904 ( -9.111 3.283 -8.349) 12.786 12.378 ( -8.532 -5.856 -5.105) 11.539 12.898 ( 13.422 -12.732 18.130) 25.903 13.195 ( -3.080 12.290 37.015) 39.123 13.381 ( -12.398 13.725 37.001) 41.366 14.396 ( 15.280 7.635 -0.349) 17.085 15.704 ( 0.065 2.431 -51.126) 51.184 16.529 ( 3.110 -4.111 11.760) 12.840 16.569 ( 2.269 -6.960 9.939) 12.344 17.494 ( 3.875 15.509 -5.442) 16.887 17.619 ( -39.665 22.417 -7.644) 46.198 17.875 ( -10.075 -6.414 -4.255) 12.678 19.206 ( 23.348 18.361 -4.773) 30.083 19.981 ( -9.823 -17.751 -0.000) 20.287 20.463 ( 6.000 -9.912 -1.631) 11.701 21.209 ( 0.010 3.922 2.210) 4.502 21.279 ( -3.889 -0.638 3.583) 5.326 ======================= Grid point 302 (139/156) ======================= q-point: ( 0.25 -0.25 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 10.763 -13.140 -0.000) 16.985 2.432 ( 5.055 -24.121 -0.000) 24.645 2.809 ( -7.146 0.058 0.000) 7.146 2.966 ( -10.760 -4.311 0.000) 11.591 4.045 ( -4.733 -0.904 0.000) 4.819 4.244 ( 11.542 16.089 0.000) 19.801 4.581 ( 6.567 15.788 0.000) 17.099 4.884 ( 8.761 3.898 -0.000) 9.589 5.658 ( 19.724 -16.013 -0.000) 25.406 5.764 ( 18.096 -11.480 -0.000) 21.430 6.194 ( 15.193 -34.246 -0.000) 37.465 6.529 ( 6.680 -16.889 -0.000) 18.162 6.587 ( 17.526 3.811 -0.000) 17.936 6.823 ( 2.970 -15.300 -0.000) 15.586 7.282 ( -7.283 -27.652 -0.000) 28.595 7.664 ( 9.088 -18.406 -0.000) 20.528 9.252 ( 7.141 5.267 -0.000) 8.873 9.922 ( 68.999 -0.279 -0.000) 68.999 10.433 ( -34.212 -3.145 0.000) 34.357 11.962 ( 13.075 2.788 -0.000) 13.369 12.042 ( -34.237 8.475 0.000) 35.270 12.059 ( -36.917 6.998 0.000) 37.574 13.750 ( -2.425 -10.809 -0.000) 11.077 13.906 ( 10.941 -6.593 -0.000) 12.774 14.301 ( 3.267 3.272 0.000) 4.623 14.839 ( 0.650 -15.535 -0.000) 15.549 16.488 ( -27.427 -3.527 0.000) 27.653 16.893 ( 6.102 10.783 0.000) 12.390 16.915 ( 7.136 1.803 -0.000) 7.361 17.326 ( 4.859 23.205 0.000) 23.708 18.294 ( 13.625 4.106 -0.000) 14.230 18.401 ( -14.297 -17.711 -0.000) 22.762 20.494 ( 7.812 10.327 0.000) 12.949 20.665 ( 4.836 0.511 -0.000) 4.863 21.016 ( -4.378 2.619 0.000) 5.102 21.356 ( -0.525 7.530 0.000) 7.548 ======================= Grid point 306 (140/156) ======================= q-point: ( 0.25 0.55 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 11.521 -13.515 0.603) 17.770 2.095 ( 14.549 -25.811 -3.052) 29.786 2.898 ( -0.963 -2.952 3.867) 4.959 3.142 ( 6.544 -0.714 -2.056) 6.896 3.577 ( 9.314 3.954 2.841) 10.510 3.901 ( 21.931 -10.137 0.463) 24.165 4.211 ( 40.963 -22.626 -1.332) 46.815 4.492 ( 10.351 -3.152 -4.027) 11.546 4.668 ( 16.160 -6.556 13.234) 21.893 4.677 ( 9.333 0.962 -9.364) 13.256 5.695 ( 9.281 -48.974 -2.975) 49.934 5.933 ( 24.539 -14.234 10.925) 30.399 6.367 ( 3.878 -4.562 -15.415) 16.537 6.541 ( 11.426 -6.868 -7.622) 15.357 6.816 ( 66.015 -7.281 1.626) 66.435 7.070 ( 9.990 -11.582 -20.447) 25.535 8.239 ( -11.495 -9.399 -8.061) 16.895 8.756 ( 16.346 5.795 -2.505) 17.522 11.673 ( -20.061 2.024 -9.403) 22.248 11.896 ( -3.663 9.473 -7.989) 12.922 12.369 ( 5.332 8.333 -5.122) 11.140 12.901 ( 12.753 -13.068 18.727) 26.156 13.200 ( -10.958 2.453 37.655) 39.294 13.386 ( -14.276 13.090 35.747) 40.657 14.385 ( -8.230 -15.471 -0.174) 17.525 15.705 ( -2.358 -0.084 -51.116) 51.170 16.527 ( 3.711 -3.076 11.408) 12.384 16.560 ( 6.252 -1.760 9.692) 11.668 17.487 ( -15.784 -0.984 -5.628) 16.787 17.666 ( -22.535 38.758 -7.215) 45.410 17.854 ( 8.216 7.746 -3.901) 11.946 19.197 ( -18.359 -23.309 -4.911) 30.074 19.998 ( 18.256 9.934 0.171) 20.785 20.450 ( 9.276 -6.392 -1.897) 11.424 21.197 ( -4.332 0.700 2.099) 4.865 21.292 ( 0.986 3.221 3.772) 5.057 ======================= Grid point 307 (141/156) ======================= q-point: ( 0.30 -0.30 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 8.028 -11.474 -0.000) 14.004 2.065 ( 9.332 10.527 0.000) 14.068 2.817 ( -9.258 0.579 0.000) 9.276 2.956 ( -13.894 3.895 0.000) 14.429 4.002 ( 1.077 -4.233 -0.000) 4.368 4.475 ( 2.133 6.120 0.000) 6.481 4.614 ( 17.132 -7.652 -0.000) 18.763 5.220 ( 5.623 23.727 0.000) 24.384 5.437 ( 24.418 -4.913 -0.000) 24.907 5.543 ( 11.493 -12.732 -0.000) 17.152 5.785 ( 25.314 2.312 -0.000) 25.419 6.339 ( 11.351 -6.212 -0.000) 12.940 6.550 ( 3.139 -10.566 -0.000) 11.022 6.837 ( -2.494 -12.662 -0.000) 12.905 6.878 ( 15.511 23.263 0.000) 27.960 7.514 ( -1.679 1.100 0.000) 2.008 9.301 ( 5.879 -0.528 -0.000) 5.903 9.928 ( 72.449 1.122 -0.000) 72.457 10.403 ( -35.559 -0.339 0.000) 35.561 11.989 ( 11.825 0.211 -0.000) 11.827 12.101 ( -43.490 -2.189 0.000) 43.545 12.154 ( -40.415 1.483 0.000) 40.443 13.706 ( 13.006 5.825 -0.000) 14.251 13.730 ( 12.630 -5.976 -0.000) 13.973 14.522 ( -1.213 14.972 0.000) 15.021 14.531 ( -1.102 -14.964 -0.000) 15.005 16.451 ( -28.457 0.238 0.000) 28.458 16.938 ( 8.766 0.391 -0.000) 8.775 16.973 ( 8.542 1.686 -0.000) 8.707 17.873 ( -6.966 -31.213 -0.000) 31.981 17.905 ( -7.711 29.465 0.000) 30.457 18.368 ( 13.635 -0.273 -0.000) 13.638 20.617 ( 7.084 -5.419 -0.000) 8.919 20.647 ( 6.000 4.815 -0.000) 7.693 21.051 ( -3.847 0.835 0.000) 3.936 21.432 ( 0.968 -0.156 -0.000) 0.980 ======================= Grid point 310 (142/156) ======================= q-point: ( 0.30 0.30 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -0.000 0.000 12.197) 12.197 0.989 ( -0.000 0.000 12.197) 12.197 2.678 ( -0.000 0.000 12.133) 12.133 2.788 ( -0.000 0.000 6.218) 6.218 2.805 ( 0.000 -0.000 -5.981) 5.981 2.805 ( 0.000 -0.000 -5.981) 5.981 3.477 ( -0.000 0.000 1.287) 1.287 3.477 ( -0.000 0.000 1.287) 1.287 4.041 ( -0.000 0.000 49.322) 49.322 4.509 ( -0.000 0.000 0.048) 0.048 4.588 ( -0.000 0.000 6.598) 6.598 5.306 ( 0.000 -0.000 -19.369) 19.369 5.306 ( 0.000 -0.000 -19.369) 19.369 6.670 ( 0.000 -0.000 -16.744) 16.744 6.670 ( 0.000 -0.000 -16.744) 16.744 7.405 ( 0.000 -0.000 -23.025) 23.025 8.516 ( 0.000 -0.000 -5.031) 5.031 8.617 ( 0.000 -0.000 -8.475) 8.475 11.652 ( -0.000 0.000 79.721) 79.721 12.314 ( 0.000 -0.000 -15.037) 15.037 12.314 ( 0.000 -0.000 -15.037) 15.037 12.499 ( 0.000 -0.000 -14.417) 14.417 12.499 ( 0.000 -0.000 -14.417) 14.417 14.306 ( -0.000 0.000 8.873) 8.873 14.306 ( -0.000 0.000 8.873) 8.873 16.102 ( -0.000 0.000 19.948) 19.948 16.102 ( -0.000 0.000 19.948) 19.948 16.675 ( 0.000 -0.000 -39.024) 39.024 17.901 ( 0.000 -0.000 -8.607) 8.607 17.908 ( 0.000 -0.000 -8.889) 8.889 18.980 ( -0.000 0.000 5.189) 5.189 19.399 ( 0.000 -0.000 -4.371) 4.371 19.661 ( 0.000 -0.000 -0.382) 0.382 19.661 ( 0.000 -0.000 -0.382) 0.382 21.200 ( -0.000 0.000 5.280) 5.280 21.206 ( -0.000 0.000 5.088) 5.088 ======================= Grid point 311 (143/156) ======================= q-point: ( 0.30 0.50 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 11.624 -0.055 6.138) 13.145 1.788 ( 14.758 0.207 -8.640) 17.102 2.925 ( 0.284 3.095 4.063) 5.116 3.078 ( 6.729 -2.515 5.511) 9.054 3.644 ( 16.713 2.870 3.296) 17.275 3.784 ( 22.170 -0.886 -1.439) 22.235 4.022 ( 39.142 1.173 2.939) 39.270 4.358 ( 40.403 -8.133 -5.609) 41.593 4.607 ( 1.564 3.347 -6.220) 7.234 4.902 ( 14.180 11.376 0.203) 18.180 5.024 ( 7.063 -8.402 -3.164) 11.423 5.715 ( 21.119 -3.489 18.440) 28.253 6.392 ( 5.628 5.385 -13.249) 15.369 6.453 ( 5.034 -3.110 -12.923) 14.214 6.742 ( 70.300 -0.123 5.985) 70.554 6.941 ( 3.344 -0.996 -24.556) 24.803 8.161 ( -10.559 1.518 -9.598) 14.350 8.806 ( 15.592 -0.863 -2.030) 15.747 11.694 ( -21.227 -0.249 -8.954) 23.039 11.993 ( -4.695 0.242 -7.822) 9.126 12.553 ( 11.800 1.309 4.611) 12.737 12.656 ( 14.175 -1.136 -6.190) 15.510 13.186 ( -3.160 -0.049 64.685) 64.762 13.621 ( -30.963 -0.547 28.221) 41.898 14.175 ( -11.004 0.680 -6.673) 12.887 15.703 ( -3.343 -0.025 -51.961) 52.068 16.496 ( 4.444 0.082 12.061) 12.854 16.543 ( 7.071 0.226 9.776) 12.068 17.451 ( -15.261 -0.034 -6.071) 16.425 17.926 ( 7.503 -0.549 -3.689) 8.379 18.317 ( -26.370 -0.564 4.512) 26.759 18.727 ( -11.022 0.848 -16.708) 20.034 20.137 ( 13.768 -1.089 5.034) 14.700 20.358 ( 14.672 1.037 -4.630) 15.420 21.206 ( -3.557 0.289 1.834) 4.013 21.322 ( 1.599 -0.335 3.931) 4.257 ======================= Grid point 343 (144/156) ======================= q-point: (-0.70 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 10.259 -8.900 -0.000) 13.582 2.293 ( 27.832 -10.299 -0.000) 29.676 2.947 ( 0.452 3.669 0.000) 3.697 3.217 ( 2.636 -0.413 -0.000) 2.668 3.862 ( -2.259 0.087 0.000) 2.261 3.986 ( -15.382 -18.140 -0.000) 23.783 4.584 ( 1.261 4.204 0.000) 4.389 4.962 ( -1.000 -20.528 -0.000) 20.552 4.963 ( 14.987 -29.240 -0.000) 32.857 5.364 ( 13.486 -40.682 -0.000) 42.859 5.790 ( 29.029 -2.425 -0.000) 29.130 6.099 ( 20.761 -11.162 -0.000) 23.571 6.360 ( -0.182 -5.089 -0.000) 5.093 6.804 ( 9.631 -7.358 -0.000) 12.120 7.077 ( 31.890 -21.210 -0.000) 38.299 7.895 ( 14.339 15.871 0.000) 21.389 8.406 ( 1.274 -77.412 -0.000) 77.422 9.049 ( -4.809 -17.622 -0.000) 18.266 11.063 ( -0.203 29.890 0.000) 29.891 11.806 ( -6.212 -2.889 0.000) 6.851 12.415 ( -16.616 2.109 0.000) 16.750 12.736 ( -9.856 31.648 0.000) 33.147 13.558 ( 12.192 -18.581 -0.000) 22.224 13.998 ( 25.098 19.206 -0.000) 31.603 14.325 ( -9.851 3.448 0.000) 10.437 14.799 ( 12.514 -2.548 -0.000) 12.770 16.782 ( 1.474 -4.589 -0.000) 4.820 16.786 ( 1.113 -7.150 -0.000) 7.236 17.070 ( 5.821 19.346 0.000) 20.203 17.220 ( -47.315 8.515 0.000) 48.075 18.036 ( -7.688 -12.026 -0.000) 14.273 18.757 ( 24.580 19.611 -0.000) 31.445 20.272 ( -10.965 -11.097 -0.000) 15.601 20.591 ( 2.252 -5.862 -0.000) 6.280 21.136 ( -0.645 4.929 0.000) 4.971 21.337 ( -6.027 -0.966 0.000) 6.104 ======================= Grid point 349 (145/156) ======================= q-point: ( 0.30 0.70 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 12.230 -10.560 -0.000) 16.158 2.537 ( 18.360 -18.366 -0.000) 25.969 3.044 ( 2.925 2.901 -0.000) 4.119 3.045 ( -3.979 -8.007 -0.000) 8.942 3.562 ( -0.672 -0.684 -0.000) 0.959 3.994 ( 10.011 2.652 -0.000) 10.356 4.613 ( -9.906 -11.283 -0.000) 15.014 4.630 ( 2.352 -1.046 -0.000) 2.574 4.902 ( 38.458 -43.526 -0.000) 58.083 4.981 ( 29.062 -16.323 -0.000) 33.332 6.054 ( 7.587 0.372 -0.000) 7.596 6.309 ( 5.551 -7.496 -0.000) 9.328 6.759 ( 20.656 -10.948 -0.000) 23.378 6.993 ( 8.768 -71.613 -0.000) 72.148 7.025 ( 62.902 -10.072 -0.000) 63.704 7.219 ( 30.469 -28.925 -0.000) 42.012 8.475 ( -13.954 -20.169 -0.000) 24.526 8.542 ( 19.420 12.355 -0.000) 23.018 11.537 ( -0.735 18.596 0.000) 18.610 11.549 ( -18.207 0.318 0.000) 18.210 12.188 ( -4.457 3.883 0.000) 5.911 12.954 ( -20.697 21.196 0.000) 29.625 13.494 ( 18.632 -18.237 -0.000) 26.072 14.266 ( -5.870 5.724 0.000) 8.199 14.674 ( 7.889 -8.939 -0.000) 11.922 14.871 ( 7.403 -6.709 -0.000) 9.991 16.570 ( -25.888 19.932 0.000) 32.672 16.724 ( 3.952 -4.662 -0.000) 6.112 16.838 ( -6.664 13.489 0.000) 15.046 17.585 ( 9.724 15.156 0.000) 18.008 17.592 ( -15.326 -9.469 0.000) 18.015 19.382 ( -8.309 7.311 0.000) 11.068 19.889 ( 7.198 -5.618 -0.000) 9.131 20.540 ( 3.093 -3.987 -0.000) 5.046 21.204 ( -6.640 0.940 0.000) 6.706 21.233 ( -0.338 6.021 0.000) 6.030 ======================= Grid point 355 (146/156) ======================= q-point: ( 0.30 0.70 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 10.754 -12.148 -0.000) 16.224 2.281 ( 9.412 -27.691 -0.000) 29.247 2.912 ( -3.284 0.805 0.000) 3.382 3.117 ( -3.399 0.901 0.000) 3.516 3.865 ( 14.916 5.628 -0.000) 15.942 4.288 ( -8.390 5.169 0.000) 9.854 4.319 ( 18.539 0.159 -0.000) 18.540 4.766 ( 4.186 10.022 0.000) 10.861 5.094 ( 37.185 -20.709 -0.000) 42.563 5.292 ( 28.309 -11.126 -0.000) 30.417 5.907 ( 13.424 -45.872 -0.000) 47.796 6.277 ( 12.420 5.575 -0.000) 13.615 6.362 ( 9.309 -13.341 -0.000) 16.268 6.719 ( 7.618 -13.693 -0.000) 15.670 7.125 ( 18.687 -28.918 -0.000) 34.431 7.806 ( -17.453 -11.467 0.000) 20.884 8.408 ( 78.043 -1.502 -0.000) 78.058 9.063 ( 15.443 4.216 -0.000) 16.008 11.074 ( -29.731 -0.275 0.000) 29.733 11.794 ( 2.819 6.695 0.000) 7.264 12.398 ( -2.588 16.442 0.000) 16.645 12.758 ( -30.425 9.860 0.000) 31.983 13.575 ( 18.856 -11.582 -0.000) 22.128 13.976 ( -19.461 -25.577 -0.000) 32.139 14.319 ( -3.551 9.702 0.000) 10.331 14.806 ( 2.646 -12.533 -0.000) 12.809 16.724 ( 3.020 5.615 0.000) 6.376 16.777 ( 6.817 -0.798 -0.000) 6.864 17.054 ( -20.928 -2.739 0.000) 21.107 17.320 ( -5.729 37.917 0.000) 38.347 18.027 ( 12.336 6.897 -0.000) 14.133 18.747 ( -19.414 -24.564 -0.000) 31.309 20.306 ( 11.729 11.298 -0.000) 16.286 20.563 ( 5.688 -2.893 -0.000) 6.381 21.114 ( -5.324 1.687 0.000) 5.585 21.354 ( 0.733 5.188 0.000) 5.239 ======================= Grid point 360 (147/156) ======================= q-point: ( 0.30 0.50 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 11.351 -11.787 2.161) 16.507 1.732 ( 21.822 -21.432 0.352) 30.588 2.887 ( 1.933 -6.848 5.010) 8.703 2.991 ( 6.709 -1.796 1.315) 7.069 3.396 ( 27.486 -27.531 -1.014) 38.916 3.462 ( 19.561 -19.894 -1.371) 27.933 3.518 ( 3.148 -9.344 0.082) 9.860 3.975 ( 27.323 -17.759 -4.225) 32.860 4.594 ( 0.051 -5.288 1.188) 5.420 4.631 ( 1.556 -1.498 -2.354) 3.195 5.432 ( 29.342 -11.761 23.797) 39.567 5.550 ( 7.359 -46.832 -3.086) 47.507 5.611 ( 35.659 -11.331 4.868) 37.731 6.348 ( -0.692 -2.059 -15.152) 15.307 6.417 ( 5.487 -3.495 -12.576) 14.159 6.929 ( 4.790 -4.224 -28.319) 29.030 8.445 ( -4.143 -5.558 -3.323) 7.688 8.494 ( 5.882 3.443 -5.222) 8.587 11.971 ( -6.437 7.536 -7.106) 12.195 11.982 ( -7.596 6.558 -7.436) 12.490 12.302 ( 0.440 -0.756 -7.346) 7.398 12.599 ( 14.947 -14.791 -0.411) 21.032 13.202 ( 1.047 -1.061 71.651) 71.667 13.878 ( -23.730 24.097 12.339) 36.000 14.461 ( 1.539 -1.975 4.084) 4.790 15.742 ( -1.323 1.336 -52.816) 52.850 16.458 ( 3.304 -2.989 10.451) 11.361 16.462 ( 2.966 -3.476 10.305) 11.272 17.726 ( -3.455 0.612 -4.817) 5.959 17.730 ( -0.391 3.467 -5.038) 6.129 18.226 ( -32.840 33.119 -5.992) 47.024 19.511 ( 10.855 -15.293 -1.722) 18.832 19.591 ( -0.948 5.627 0.166) 5.708 20.232 ( 12.666 -13.213 -0.749) 18.318 21.266 ( -2.176 -0.100 2.999) 3.706 21.274 ( 0.403 1.929 2.860) 3.473 ======================= Grid point 361 (148/156) ======================= q-point: ( 0.35 0.65 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 10.471 -11.414 -0.000) 15.490 1.860 ( 11.131 11.039 -0.000) 15.677 2.944 ( -3.578 0.964 0.000) 3.706 3.150 ( -4.808 2.935 0.000) 5.633 3.897 ( 8.870 -0.659 -0.000) 8.895 4.221 ( 21.703 -8.217 -0.000) 23.207 4.474 ( -1.344 9.531 0.000) 9.625 4.850 ( 34.971 -3.691 -0.000) 35.165 5.029 ( 21.457 4.228 -0.000) 21.870 5.195 ( 18.712 10.616 -0.000) 21.514 5.276 ( 21.714 -10.070 -0.000) 23.936 6.135 ( 7.970 -10.531 -0.000) 13.207 6.426 ( 8.837 -1.893 -0.000) 9.037 6.584 ( 13.264 12.603 -0.000) 18.297 6.761 ( 9.054 -6.917 -0.000) 11.394 7.720 ( -16.433 2.702 0.000) 16.654 8.393 ( 80.502 -0.040 -0.000) 80.502 9.101 ( 14.256 -0.401 -0.000) 14.262 11.072 ( -31.183 -0.310 0.000) 31.185 11.864 ( 0.838 0.348 -0.000) 0.908 12.707 ( -10.712 12.326 0.000) 16.331 12.726 ( -9.849 -12.417 -0.000) 15.849 13.567 ( -6.501 -13.652 -0.000) 15.121 13.593 ( -6.179 13.786 0.000) 15.107 14.547 ( -1.320 12.573 0.000) 12.642 14.553 ( -1.190 -12.582 -0.000) 12.638 16.760 ( 5.361 0.823 -0.000) 5.424 16.771 ( 8.023 0.254 -0.000) 8.027 17.010 ( -20.366 0.142 0.000) 20.366 18.030 ( -1.298 -20.624 -0.000) 20.665 18.126 ( -14.446 38.097 0.000) 40.744 18.172 ( -1.451 -18.670 -0.000) 18.727 20.460 ( 9.129 -7.535 -0.000) 11.837 20.497 ( 9.462 7.414 -0.000) 12.021 21.136 ( -4.576 0.569 0.000) 4.611 21.403 ( 1.919 -0.448 -0.000) 1.970 ======================= Grid point 366 (149/156) ======================= q-point: ( 0.35 0.45 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 9.627 0.429 7.326) 12.105 1.451 ( 19.182 -0.362 -1.102) 19.217 2.856 ( 8.040 0.866 6.333) 10.271 2.929 ( 5.950 0.059 2.151) 6.327 3.085 ( 31.784 -0.852 0.459) 31.798 3.214 ( 33.837 0.695 -4.784) 34.180 3.563 ( 8.320 6.070 1.002) 10.347 3.691 ( 21.230 -7.766 -2.936) 22.795 4.555 ( 4.480 1.975 -1.027) 5.002 4.630 ( 10.749 -0.464 -2.466) 11.038 4.977 ( -0.956 -0.529 -0.978) 1.466 5.358 ( 14.053 0.766 34.811) 37.549 5.499 ( 48.272 -0.815 -3.096) 48.378 6.346 ( 0.341 1.732 -14.148) 14.257 6.374 ( 2.766 -1.583 -14.040) 14.397 6.883 ( 2.360 -0.148 -30.904) 30.995 8.368 ( -7.996 0.757 -4.968) 9.444 8.552 ( 9.094 -0.657 -3.779) 9.870 12.015 ( -10.671 -0.019 -6.823) 12.666 12.083 ( -3.430 -0.001 -6.669) 7.500 12.352 ( 7.352 0.418 -4.649) 8.708 12.386 ( 10.489 -0.371 -7.383) 12.832 13.192 ( 0.330 0.006 75.179) 75.180 14.196 ( -22.886 -0.374 11.489) 25.611 14.366 ( -7.015 0.393 1.698) 7.228 15.756 ( -1.842 -0.003 -53.315) 53.346 16.422 ( 2.747 -0.006 10.550) 10.902 16.433 ( 3.862 0.053 10.013) 10.732 17.685 ( -8.078 -0.030 -5.317) 9.671 17.809 ( 4.192 -0.004 -4.772) 6.352 18.874 ( -28.606 -2.006 -0.511) 28.681 18.948 ( -10.819 2.123 -4.956) 12.088 19.843 ( 14.833 -0.756 4.269) 15.454 20.005 ( 20.682 0.624 -3.486) 20.983 21.263 ( -2.069 0.108 2.688) 3.393 21.295 ( 1.004 -0.127 3.208) 3.364 ======================= Grid point 403 (150/156) ======================= q-point: (-0.65 -0.35 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 11.357 -9.642 -0.000) 14.898 2.062 ( 27.585 -13.443 -0.000) 30.686 2.987 ( 1.943 0.855 -0.000) 2.123 3.110 ( -2.458 -9.019 -0.000) 9.348 3.674 ( -8.124 -12.811 -0.000) 15.170 3.804 ( 8.494 -8.649 -0.000) 12.122 4.279 ( 17.148 -47.816 -0.000) 50.798 4.362 ( 22.689 -28.480 -0.000) 36.413 4.640 ( 6.205 0.392 -0.000) 6.218 4.772 ( -4.198 -16.605 -0.000) 17.127 5.667 ( 49.923 -8.358 -0.000) 50.618 5.998 ( 3.493 -0.205 -0.000) 3.499 6.248 ( 0.031 -5.821 -0.000) 5.821 6.614 ( 7.885 -10.925 -0.000) 13.474 6.659 ( 24.207 -19.623 -0.000) 31.162 6.857 ( 4.751 -75.528 -0.000) 75.678 8.209 ( 13.008 14.602 0.000) 19.556 8.695 ( -8.026 -17.334 -0.000) 19.102 11.580 ( -2.596 21.818 0.000) 21.972 11.826 ( -9.586 3.610 0.000) 10.243 12.322 ( -9.762 -7.252 0.000) 12.160 12.941 ( 18.711 -15.596 -0.000) 24.359 13.526 ( -19.780 21.215 0.000) 29.005 14.370 ( 19.297 14.552 -0.000) 24.169 14.409 ( -8.104 4.731 0.000) 9.383 14.735 ( 7.533 -3.720 -0.000) 8.401 16.655 ( 2.387 -5.866 -0.000) 6.333 16.657 ( 2.596 -6.127 -0.000) 6.654 17.438 ( 5.014 15.888 0.000) 16.660 17.540 ( -44.786 23.350 0.000) 50.507 17.832 ( -9.778 -7.828 0.000) 12.526 19.159 ( 27.016 20.563 -0.000) 33.951 19.988 ( -12.860 -18.197 -0.000) 22.282 20.445 ( 6.865 -9.158 -0.000) 11.446 21.231 ( 0.378 4.408 0.000) 4.424 21.315 ( -4.186 -1.126 0.000) 4.334 ======================= Grid point 409 (151/156) ======================= q-point: ( 0.35 0.65 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 10.775 -12.035 -0.000) 16.154 2.063 ( 12.987 -27.534 -0.000) 30.443 2.946 ( -0.403 -1.114 -0.000) 1.184 3.103 ( 4.082 2.729 -0.000) 4.910 3.608 ( 9.928 4.013 -0.000) 10.708 3.907 ( 22.357 -9.543 -0.000) 24.309 4.194 ( 42.350 -22.714 -0.000) 48.057 4.482 ( -1.854 -3.028 -0.000) 3.550 4.536 ( 27.586 -9.123 -0.000) 29.055 4.802 ( 12.361 -0.599 -0.000) 12.376 5.670 ( 10.290 -53.568 -0.000) 54.548 6.101 ( 5.632 4.885 -0.000) 7.455 6.197 ( 6.422 -9.156 -0.000) 11.184 6.536 ( 11.634 -11.231 -0.000) 16.170 6.727 ( 19.646 -17.814 -0.000) 26.519 6.867 ( 73.275 -5.494 -0.000) 73.481 8.154 ( -16.125 -11.128 0.000) 19.592 8.730 ( 17.064 6.342 -0.000) 18.204 11.585 ( -21.339 2.332 0.000) 21.466 11.821 ( -4.225 9.852 0.000) 10.719 12.313 ( 6.859 9.547 0.000) 11.756 12.946 ( 15.925 -18.481 -0.000) 24.395 13.536 ( -20.598 20.152 0.000) 28.817 14.357 ( -15.172 -19.603 -0.000) 24.788 14.406 ( -4.891 8.001 0.000) 9.377 14.740 ( 3.876 -7.542 -0.000) 8.480 16.642 ( 4.488 -1.393 -0.000) 4.700 16.651 ( 5.686 -2.541 -0.000) 6.228 17.429 ( -16.509 -0.859 0.000) 16.531 17.593 ( -21.698 41.884 0.000) 47.170 17.815 ( 8.916 7.811 -0.000) 11.853 19.149 ( -20.654 -27.032 -0.000) 34.020 20.007 ( 18.927 13.157 -0.000) 23.051 20.428 ( 8.261 -7.494 -0.000) 11.153 21.217 ( -4.835 0.425 0.000) 4.853 21.330 ( 1.525 3.433 0.000) 3.756 ======================= Grid point 415 (152/156) ======================= q-point: ( 0.40 0.60 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 11.783 10.252 -0.000) 15.618 1.634 ( 11.078 -10.263 -0.000) 15.102 2.967 ( 0.836 1.244 0.000) 1.499 3.135 ( 5.981 0.181 -0.000) 5.983 3.680 ( 13.612 3.862 -0.000) 14.149 3.765 ( 25.367 -3.179 -0.000) 25.565 4.047 ( 41.779 6.669 -0.000) 42.308 4.289 ( 42.629 -12.606 -0.000) 44.454 4.516 ( -0.685 5.476 0.000) 5.519 4.894 ( 17.361 -7.104 -0.000) 18.758 5.010 ( 5.686 7.390 0.000) 9.325 6.038 ( 1.975 -5.916 -0.000) 6.237 6.256 ( 6.795 8.238 0.000) 10.678 6.358 ( 9.938 -2.658 -0.000) 10.288 6.547 ( 11.447 -1.708 -0.000) 11.574 6.811 ( 76.684 -0.184 -0.000) 76.685 8.059 ( -16.072 1.653 0.000) 16.156 8.785 ( 16.163 -0.901 -0.000) 16.188 11.611 ( -22.656 -0.135 0.000) 22.657 11.921 ( -5.233 0.138 0.000) 5.235 12.574 ( 15.048 16.537 0.000) 22.359 12.583 ( 15.412 -16.408 -0.000) 22.511 13.947 ( -23.547 -21.425 0.000) 31.835 13.961 ( -22.927 21.518 0.000) 31.444 14.573 ( -1.243 8.565 0.000) 8.655 14.577 ( -1.098 -8.602 -0.000) 8.672 16.627 ( 6.363 0.174 -0.000) 6.366 16.627 ( 6.313 0.287 -0.000) 6.319 17.389 ( -16.116 -0.027 0.000) 16.116 17.889 ( 8.130 -0.524 -0.000) 8.146 18.456 ( -19.677 -41.142 -0.000) 45.605 18.467 ( -19.661 41.270 0.000) 45.714 20.240 ( 13.439 -11.463 -0.000) 17.663 20.262 ( 14.350 11.462 -0.000) 18.365 21.224 ( -4.082 0.305 0.000) 4.094 21.361 ( 2.095 -0.385 -0.000) 2.130 ======================= Grid point 420 (153/156) ======================= q-point: ( 0.40 0.40 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -0.000 0.000 6.641) 6.641 1.174 ( -0.000 0.000 6.641) 6.641 2.707 ( 0.000 -0.000 -3.851) 3.851 2.707 ( 0.000 -0.000 -3.851) 3.851 2.853 ( -0.000 0.000 6.388) 6.388 2.893 ( -0.000 0.000 4.010) 4.010 3.492 ( -0.000 0.000 0.371) 0.371 3.492 ( -0.000 0.000 0.371) 0.371 4.483 ( -0.000 0.000 3.210) 3.210 4.509 ( 0.000 -0.000 -0.005) 0.005 5.008 ( 0.000 -0.000 -10.825) 10.825 5.008 ( 0.000 -0.000 -10.825) 10.825 5.208 ( -0.000 0.000 48.848) 48.848 6.347 ( 0.000 -0.000 -14.137) 14.137 6.347 ( 0.000 -0.000 -14.137) 14.137 6.858 ( 0.000 -0.000 -33.350) 33.350 8.433 ( 0.000 -0.000 -3.065) 3.065 8.477 ( 0.000 -0.000 -5.599) 5.599 12.113 ( 0.000 -0.000 -6.123) 6.123 12.113 ( 0.000 -0.000 -6.123) 6.123 12.285 ( 0.000 -0.000 -7.564) 7.564 12.285 ( 0.000 -0.000 -7.564) 7.564 13.188 ( -0.000 0.000 77.055) 77.055 14.436 ( -0.000 0.000 4.533) 4.533 14.436 ( -0.000 0.000 4.533) 4.533 15.774 ( 0.000 -0.000 -53.741) 53.741 16.394 ( -0.000 0.000 10.083) 10.083 16.394 ( -0.000 0.000 10.083) 10.083 17.764 ( 0.000 -0.000 -5.062) 5.062 17.768 ( 0.000 -0.000 -5.241) 5.241 19.088 ( -0.000 0.000 5.747) 5.747 19.306 ( 0.000 -0.000 -5.202) 5.202 19.655 ( 0.000 -0.000 -0.235) 0.235 19.655 ( 0.000 -0.000 -0.235) 0.235 21.283 ( -0.000 0.000 3.073) 3.073 21.286 ( -0.000 0.000 2.911) 2.911 ======================= Grid point 465 (154/156) ======================= q-point: ( 0.40 0.60 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 10.212 -10.726 -0.000) 14.810 1.735 ( 20.403 -19.789 -0.000) 28.423 2.939 ( 0.945 -5.833 -0.000) 5.909 2.997 ( 5.103 0.043 -0.000) 5.103 3.383 ( 29.530 -31.257 -0.000) 43.000 3.448 ( 22.631 -23.498 -0.000) 32.624 3.522 ( -0.245 -6.152 -0.000) 6.157 3.931 ( 26.497 -15.728 -0.000) 30.813 4.551 ( -2.554 -6.401 -0.000) 6.892 4.634 ( 7.686 -0.212 -0.000) 7.689 5.516 ( 4.996 -54.801 -0.000) 55.028 5.527 ( 52.985 -5.158 -0.000) 53.235 6.041 ( 1.338 4.148 0.000) 4.359 6.136 ( -0.608 -5.877 -0.000) 5.908 6.388 ( 14.140 -7.374 -0.000) 15.948 6.397 ( 6.028 -10.469 -0.000) 12.080 8.412 ( -9.447 -10.195 -0.000) 13.899 8.440 ( 11.177 8.076 -0.000) 13.789 11.906 ( -10.944 3.762 0.000) 11.573 11.912 ( -4.019 11.405 0.000) 12.092 12.229 ( 0.450 -0.943 -0.000) 1.045 12.573 ( 17.643 -17.446 -0.000) 24.813 13.983 ( -21.210 21.572 0.000) 30.252 14.500 ( 1.236 -1.788 -0.000) 2.174 14.504 ( -4.847 4.741 0.000) 6.780 14.662 ( 3.525 -3.272 -0.000) 4.810 16.560 ( 3.240 -3.388 -0.000) 4.688 16.562 ( 3.192 -3.343 -0.000) 4.622 17.678 ( -8.357 -4.378 0.000) 9.435 17.679 ( 4.700 8.230 0.000) 9.477 18.166 ( -34.634 35.084 0.000) 49.299 19.498 ( 9.686 -13.795 -0.000) 16.856 19.593 ( -0.954 5.289 0.000) 5.375 20.224 ( 12.552 -13.174 -0.000) 18.196 21.296 ( -2.897 -0.694 0.000) 2.979 21.302 ( 1.113 2.559 0.000) 2.790 ======================= Grid point 471 (155/156) ======================= q-point: ( 0.45 0.55 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 11.799 7.382 -0.000) 13.918 1.405 ( 12.055 -7.353 -0.000) 14.120 2.930 ( 3.315 3.357 0.000) 4.718 2.935 ( 15.433 -2.856 -0.000) 15.695 3.116 ( 35.705 -4.935 -0.000) 36.045 3.144 ( 28.798 5.529 -0.000) 29.324 3.572 ( 8.422 9.996 0.000) 13.071 3.661 ( 17.723 -11.628 -0.000) 21.197 4.518 ( 0.465 2.844 0.000) 2.882 4.612 ( 10.327 -4.091 -0.000) 11.108 4.927 ( 2.714 2.532 -0.000) 3.711 5.471 ( 53.456 -0.375 -0.000) 53.457 6.048 ( -2.792 -2.316 0.000) 3.627 6.162 ( 3.861 7.608 0.000) 8.531 6.221 ( 3.519 -6.161 -0.000) 7.096 6.333 ( 9.743 0.540 -0.000) 9.758 8.317 ( -9.327 0.803 0.000) 9.362 8.514 ( 10.098 -0.700 -0.000) 10.122 11.952 ( -11.387 0.328 0.000) 11.392 12.022 ( -3.934 -0.468 0.000) 3.962 12.305 ( 10.083 8.820 -0.000) 13.396 12.309 ( 10.241 -8.653 -0.000) 13.407 14.335 ( -14.192 -13.733 0.000) 19.749 14.339 ( -13.803 13.785 0.000) 19.508 14.592 ( -0.624 4.000 0.000) 4.048 14.594 ( -0.515 -4.039 -0.000) 4.071 16.527 ( 3.504 0.115 -0.000) 3.506 16.528 ( 3.535 -0.043 -0.000) 3.535 17.632 ( -8.295 -0.030 0.000) 8.295 17.761 ( 4.575 0.003 -0.000) 4.575 18.882 ( -22.226 -35.678 -0.000) 42.035 18.887 ( -21.863 35.768 0.000) 41.921 19.924 ( 17.914 -16.908 -0.000) 24.633 19.931 ( 18.490 16.791 -0.000) 24.976 21.290 ( -2.394 0.115 0.000) 2.396 21.327 ( 1.259 -0.141 -0.000) 1.267 ======================= Grid point 527 (156/156) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -0.000 0.000 0.000) 0.000 1.240 ( -0.000 0.000 0.000) 0.000 2.667 ( -0.000 0.000 0.000) 0.000 2.667 ( -0.000 0.000 0.000) 0.000 2.925 ( 0.000 -0.000 -0.959) 0.959 2.925 ( -0.000 0.000 0.959) 0.959 3.495 ( -0.000 0.000 0.000) 0.000 3.495 ( -0.000 0.000 0.000) 0.000 4.507 ( 0.000 -0.000 -0.358) 0.358 4.507 ( -0.000 0.000 0.358) 0.358 4.901 ( -0.000 0.000 0.000) 0.000 4.901 ( -0.000 0.000 0.000) 0.000 6.114 ( 0.000 -0.000 -43.081) 43.081 6.114 ( -0.000 0.000 43.081) 43.081 6.198 ( -0.000 0.000 0.000) 0.000 6.198 ( -0.000 0.000 0.000) 0.000 8.411 ( 0.000 -0.000 -1.048) 1.048 8.411 ( -0.000 0.000 1.048) 1.048 12.057 ( -0.000 0.000 0.000) 0.000 12.057 ( -0.000 0.000 0.000) 0.000 12.210 ( -0.000 0.000 0.000) 0.000 12.210 ( -0.000 0.000 0.000) 0.000 14.480 ( -0.000 0.000 0.000) 0.000 14.480 ( -0.000 0.000 0.000) 0.000 14.597 ( 0.000 -0.000 -67.227) 67.227 14.597 ( -0.000 0.000 67.227) 67.227 16.492 ( -0.000 0.000 0.000) 0.000 16.492 ( -0.000 0.000 0.000) 0.000 17.715 ( 0.000 -0.000 -0.075) 0.075 17.715 ( -0.000 0.000 0.075) 0.075 19.200 ( 0.000 -0.000 -5.699) 5.699 19.200 ( -0.000 0.000 5.699) 5.699 19.653 ( -0.000 0.000 0.000) 0.000 19.653 ( -0.000 0.000 0.000) 0.000 21.314 ( 0.000 -0.000 -0.075) 0.075 21.314 ( -0.000 0.000 0.075) 0.075 =================== 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 3/36000 10.0 322.156 322.156 279.422 0.000 -0.000 0.000 3/36000 20.0 116.926 116.926 142.686 -0.000 -0.000 0.000 3/36000 30.0 55.225 55.225 56.490 -0.000 -0.000 0.000 3/36000 40.0 33.016 33.016 29.265 -0.000 -0.000 0.000 3/36000 50.0 22.915 22.915 18.374 -0.000 -0.000 0.000 3/36000 60.0 17.515 17.515 13.050 0.000 -0.000 0.000 3/36000 70.0 14.288 14.288 10.076 0.000 -0.000 0.000 3/36000 80.0 12.187 12.187 8.261 0.000 -0.000 0.000 3/36000 90.0 10.719 10.719 7.084 0.000 -0.000 0.000 3/36000 100.0 9.632 9.632 6.284 0.000 -0.000 0.000 3/36000 110.0 8.790 8.790 5.717 0.000 -0.000 0.000 3/36000 120.0 8.111 8.111 5.300 0.000 -0.000 0.000 3/36000 130.0 7.548 7.548 4.980 0.000 -0.000 0.000 3/36000 140.0 7.071 7.071 4.726 0.000 -0.000 0.000 3/36000 150.0 6.658 6.658 4.516 0.000 -0.000 0.000 3/36000 160.0 6.296 6.296 4.337 0.000 -0.000 0.000 3/36000 170.0 5.975 5.975 4.181 0.000 -0.000 0.000 3/36000 180.0 5.688 5.688 4.040 0.000 -0.000 0.000 3/36000 190.0 5.429 5.429 3.912 0.000 -0.000 0.000 3/36000 200.0 5.193 5.193 3.793 0.000 -0.000 0.000 3/36000 210.0 4.978 4.978 3.682 0.000 -0.000 0.000 3/36000 220.0 4.781 4.781 3.578 0.000 -0.000 0.000 3/36000 230.0 4.599 4.599 3.479 0.000 -0.000 0.000 3/36000 240.0 4.430 4.430 3.386 0.000 -0.000 0.000 3/36000 250.0 4.274 4.274 3.296 0.000 -0.000 0.000 3/36000 260.0 4.129 4.129 3.211 0.000 -0.000 0.000 3/36000 270.0 3.993 3.993 3.129 0.000 -0.000 0.000 3/36000 280.0 3.865 3.865 3.051 0.000 -0.000 0.000 3/36000 290.0 3.746 3.746 2.976 0.000 -0.000 0.000 3/36000 300.0 3.634 3.634 2.904 0.000 -0.000 0.000 3/36000 310.0 3.528 3.528 2.835 0.000 -0.000 0.000 3/36000 320.0 3.428 3.428 2.769 0.000 -0.000 0.000 3/36000 330.0 3.333 3.333 2.705 0.000 -0.000 0.000 3/36000 340.0 3.244 3.244 2.644 0.000 -0.000 0.000 3/36000 350.0 3.159 3.159 2.585 0.000 -0.000 0.000 3/36000 360.0 3.078 3.078 2.529 0.000 -0.000 0.000 3/36000 370.0 3.001 3.001 2.475 0.000 -0.000 0.000 3/36000 380.0 2.928 2.928 2.422 0.000 -0.000 0.000 3/36000 390.0 2.859 2.859 2.372 0.000 -0.000 0.000 3/36000 400.0 2.792 2.792 2.323 0.000 -0.000 0.000 3/36000 410.0 2.729 2.729 2.276 0.000 -0.000 0.000 3/36000 420.0 2.668 2.668 2.231 0.000 -0.000 0.000 3/36000 430.0 2.610 2.610 2.188 0.000 -0.000 0.000 3/36000 440.0 2.554 2.554 2.146 0.000 -0.000 0.000 3/36000 450.0 2.501 2.501 2.105 0.000 -0.000 0.000 3/36000 460.0 2.450 2.450 2.066 0.000 -0.000 0.000 3/36000 470.0 2.401 2.401 2.028 0.000 -0.000 0.000 3/36000 480.0 2.353 2.353 1.991 0.000 -0.000 0.000 3/36000 490.0 2.308 2.308 1.956 0.000 -0.000 0.000 3/36000 500.0 2.264 2.264 1.922 0.000 -0.000 0.000 3/36000 510.0 2.222 2.222 1.888 0.000 -0.000 0.000 3/36000 520.0 2.181 2.181 1.856 0.000 -0.000 0.000 3/36000 530.0 2.142 2.142 1.825 0.000 -0.000 0.000 3/36000 540.0 2.104 2.104 1.795 0.000 -0.000 0.000 3/36000 550.0 2.067 2.067 1.766 0.000 -0.000 0.000 3/36000 560.0 2.032 2.032 1.738 0.000 -0.000 0.000 3/36000 570.0 1.998 1.998 1.710 0.000 -0.000 0.000 3/36000 580.0 1.965 1.965 1.683 0.000 -0.000 0.000 3/36000 590.0 1.933 1.933 1.657 0.000 -0.000 0.000 3/36000 600.0 1.902 1.902 1.632 0.000 -0.000 0.000 3/36000 610.0 1.872 1.872 1.608 0.000 -0.000 0.000 3/36000 620.0 1.843 1.843 1.584 0.000 -0.000 0.000 3/36000 630.0 1.814 1.814 1.561 0.000 -0.000 0.000 3/36000 640.0 1.787 1.787 1.539 0.000 -0.000 0.000 3/36000 650.0 1.760 1.760 1.517 0.000 -0.000 0.000 3/36000 660.0 1.734 1.734 1.495 0.000 -0.000 0.000 3/36000 670.0 1.709 1.709 1.475 0.000 -0.000 0.000 3/36000 680.0 1.685 1.685 1.455 0.000 -0.000 0.000 3/36000 690.0 1.661 1.661 1.435 0.000 -0.000 0.000 3/36000 700.0 1.638 1.638 1.416 0.000 -0.000 0.000 3/36000 710.0 1.616 1.616 1.397 0.000 -0.000 0.000 3/36000 720.0 1.594 1.594 1.379 0.000 -0.000 0.000 3/36000 730.0 1.573 1.573 1.361 0.000 -0.000 0.000 3/36000 740.0 1.552 1.552 1.344 0.000 -0.000 0.000 3/36000 750.0 1.532 1.532 1.327 0.000 -0.000 0.000 3/36000 760.0 1.512 1.512 1.311 0.000 -0.000 0.000 3/36000 770.0 1.493 1.493 1.295 0.000 -0.000 0.000 3/36000 780.0 1.474 1.474 1.279 0.000 -0.000 0.000 3/36000 790.0 1.456 1.456 1.264 0.000 -0.000 0.000 3/36000 800.0 1.438 1.438 1.249 0.000 -0.000 0.000 3/36000 810.0 1.421 1.421 1.234 0.000 -0.000 0.000 3/36000 820.0 1.404 1.404 1.220 0.000 -0.000 0.000 3/36000 830.0 1.387 1.387 1.206 0.000 -0.000 0.000 3/36000 840.0 1.371 1.371 1.192 0.000 -0.000 0.000 3/36000 850.0 1.355 1.355 1.179 0.000 -0.000 0.000 3/36000 860.0 1.340 1.340 1.166 0.000 -0.000 0.000 3/36000 870.0 1.325 1.325 1.153 0.000 -0.000 0.000 3/36000 880.0 1.310 1.310 1.140 0.000 -0.000 0.000 3/36000 890.0 1.296 1.296 1.128 0.000 -0.000 0.000 3/36000 900.0 1.282 1.282 1.116 0.000 -0.000 0.000 3/36000 910.0 1.268 1.268 1.104 0.000 -0.000 0.000 3/36000 920.0 1.254 1.254 1.093 0.000 -0.000 0.000 3/36000 930.0 1.241 1.241 1.082 0.000 -0.000 0.000 3/36000 940.0 1.228 1.228 1.071 0.000 -0.000 0.000 3/36000 950.0 1.215 1.215 1.060 0.000 -0.000 0.000 3/36000 960.0 1.203 1.203 1.049 0.000 -0.000 0.000 3/36000 970.0 1.191 1.191 1.039 0.000 -0.000 0.000 3/36000 980.0 1.179 1.179 1.028 0.000 -0.000 0.000 3/36000 990.0 1.167 1.167 1.018 0.000 -0.000 0.000 3/36000 1000.0 1.155 1.155 1.009 0.000 -0.000 0.000 3/36000 Thermal conductivity related properties were written into "kappa-m51020.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:35:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|