----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:40:03]------------------------- Compiled with OpenMP support (max 32 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 -2.433966140000000 2.433966140000000 5.267030485000000 b 2.433966140000000 -2.433966140000000 5.267030485000000 c 2.433966140000000 2.433966140000000 -5.267030485000000 Atomic positions (fractional): *1 O 0.56591020100712 0.15885888441280 0.05909734061996 15.999 2 O 0.25681286038717 0.81591020100712 0.90705131659432 15.999 3 O 0.90885888441280 0.34976154379284 0.09294868340567 15.999 4 O 0.09976154379284 0.50681286038717 0.94090265938005 15.999 5 O 0.65023845620716 0.74318713961283 0.55909734061996 15.999 6 O 0.84114111558720 0.90023845620716 0.40705131659433 15.999 7 O 0.49318713961283 0.43408979899288 0.59294868340568 15.999 8 O 0.18408979899288 0.09114111558720 0.44090265938005 15.999 *9 Ge 0.75000000000000 0.25000000000000 0.50000000000000 72.640 10 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 *11 Zr 0.25000000000000 0.75000000000000 0.50000000000000 91.224 12 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.867932280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.867932280000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.534060970000001 Atomic positions (fractional): *1 O 0.82602301201282 0.23307432860714 0.33283587239998 15.999 > 1 2 O 0.73307432860714 0.17397698798719 0.08283587239998 15.999 > 2 3 O 0.26692567139286 0.82602301201282 0.08283587239998 15.999 > 3 4 O 0.17397698798719 0.76692567139286 0.33283587239998 15.999 > 4 5 O 0.32602301201282 0.23307432860714 0.41716412760002 15.999 > 5 6 O 0.73307432860714 0.67397698798718 0.16716412760002 15.999 > 6 7 O 0.26692567139286 0.32602301201282 0.16716412760002 15.999 > 7 8 O 0.67397698798718 0.76692567139286 0.41716412760002 15.999 > 8 9 O 0.32602301201282 0.73307432860714 0.83283587239998 15.999 > 1 10 O 0.23307432860714 0.67397698798718 0.58283587239998 15.999 > 2 11 O 0.76692567139286 0.32602301201282 0.58283587239998 15.999 > 3 12 O 0.67397698798718 0.26692567139286 0.83283587239998 15.999 > 4 13 O 0.82602301201282 0.73307432860714 0.91716412760002 15.999 > 5 14 O 0.23307432860714 0.17397698798719 0.66716412760002 15.999 > 6 15 O 0.76692567139286 0.82602301201282 0.66716412760002 15.999 > 7 16 O 0.17397698798719 0.26692567139286 0.91716412760002 15.999 > 8 *17 Ge 0.00000000000000 0.50000000000000 0.25000000000000 72.640 > 9 18 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 > 10 19 Ge 0.50000000000000 0.00000000000000 0.75000000000000 72.640 > 9 20 Ge 0.50000000000000 0.50000000000000 0.50000000000000 72.640 > 10 *21 Zr 0.50000000000000 0.00000000000000 0.25000000000000 91.224 > 11 22 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 > 12 23 Zr 0.00000000000000 0.50000000000000 0.75000000000000 91.224 > 11 24 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.735864560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.735864560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.534060970000001 Atomic positions (fractional): *1 O 0.41301150600641 0.11653716430357 0.33283587239998 15.999 > 1 2 O 0.91301150600641 0.11653716430357 0.33283587239998 15.999 > 1 3 O 0.41301150600641 0.61653716430357 0.33283587239998 15.999 > 1 4 O 0.91301150600641 0.61653716430357 0.33283587239998 15.999 > 1 5 O 0.36653716430357 0.08698849399359 0.08283587239998 15.999 > 2 6 O 0.86653716430357 0.08698849399359 0.08283587239998 15.999 > 2 7 O 0.36653716430357 0.58698849399359 0.08283587239998 15.999 > 2 8 O 0.86653716430357 0.58698849399359 0.08283587239998 15.999 > 2 9 O 0.13346283569643 0.41301150600641 0.08283587239998 15.999 > 3 10 O 0.63346283569643 0.41301150600641 0.08283587239998 15.999 > 3 11 O 0.13346283569643 0.91301150600641 0.08283587239998 15.999 > 3 12 O 0.63346283569643 0.91301150600641 0.08283587239998 15.999 > 3 13 O 0.08698849399359 0.38346283569643 0.33283587239998 15.999 > 4 14 O 0.58698849399359 0.38346283569643 0.33283587239998 15.999 > 4 15 O 0.08698849399359 0.88346283569643 0.33283587239998 15.999 > 4 16 O 0.58698849399359 0.88346283569643 0.33283587239998 15.999 > 4 17 O 0.16301150600641 0.11653716430357 0.41716412760002 15.999 > 5 18 O 0.66301150600641 0.11653716430357 0.41716412760002 15.999 > 5 19 O 0.16301150600641 0.61653716430357 0.41716412760002 15.999 > 5 20 O 0.66301150600641 0.61653716430357 0.41716412760002 15.999 > 5 21 O 0.36653716430357 0.33698849399359 0.16716412760002 15.999 > 6 22 O 0.86653716430357 0.33698849399359 0.16716412760002 15.999 > 6 23 O 0.36653716430357 0.83698849399359 0.16716412760002 15.999 > 6 24 O 0.86653716430357 0.83698849399359 0.16716412760002 15.999 > 6 25 O 0.13346283569643 0.16301150600641 0.16716412760002 15.999 > 7 26 O 0.63346283569643 0.16301150600641 0.16716412760002 15.999 > 7 27 O 0.13346283569643 0.66301150600641 0.16716412760002 15.999 > 7 28 O 0.63346283569643 0.66301150600641 0.16716412760002 15.999 > 7 29 O 0.33698849399359 0.38346283569643 0.41716412760002 15.999 > 8 30 O 0.83698849399359 0.38346283569643 0.41716412760002 15.999 > 8 31 O 0.33698849399359 0.88346283569643 0.41716412760002 15.999 > 8 32 O 0.83698849399359 0.88346283569643 0.41716412760002 15.999 > 8 33 O 0.16301150600641 0.36653716430357 0.83283587239998 15.999 > 1 34 O 0.66301150600641 0.36653716430357 0.83283587239998 15.999 > 1 35 O 0.16301150600641 0.86653716430357 0.83283587239998 15.999 > 1 36 O 0.66301150600641 0.86653716430357 0.83283587239998 15.999 > 1 37 O 0.11653716430357 0.33698849399359 0.58283587239998 15.999 > 2 38 O 0.61653716430357 0.33698849399359 0.58283587239998 15.999 > 2 39 O 0.11653716430357 0.83698849399359 0.58283587239998 15.999 > 2 40 O 0.61653716430357 0.83698849399359 0.58283587239998 15.999 > 2 41 O 0.38346283569643 0.16301150600641 0.58283587239998 15.999 > 3 42 O 0.88346283569643 0.16301150600641 0.58283587239998 15.999 > 3 43 O 0.38346283569643 0.66301150600641 0.58283587239998 15.999 > 3 44 O 0.88346283569643 0.66301150600641 0.58283587239998 15.999 > 3 45 O 0.33698849399359 0.13346283569643 0.83283587239998 15.999 > 4 46 O 0.83698849399359 0.13346283569643 0.83283587239998 15.999 > 4 47 O 0.33698849399359 0.63346283569643 0.83283587239998 15.999 > 4 48 O 0.83698849399359 0.63346283569643 0.83283587239998 15.999 > 4 49 O 0.41301150600641 0.36653716430357 0.91716412760002 15.999 > 5 50 O 0.91301150600641 0.36653716430357 0.91716412760002 15.999 > 5 51 O 0.41301150600641 0.86653716430357 0.91716412760002 15.999 > 5 52 O 0.91301150600641 0.86653716430357 0.91716412760002 15.999 > 5 53 O 0.11653716430357 0.08698849399359 0.66716412760002 15.999 > 6 54 O 0.61653716430357 0.08698849399359 0.66716412760002 15.999 > 6 55 O 0.11653716430357 0.58698849399359 0.66716412760002 15.999 > 6 56 O 0.61653716430357 0.58698849399359 0.66716412760002 15.999 > 6 57 O 0.38346283569643 0.41301150600641 0.66716412760002 15.999 > 7 58 O 0.88346283569643 0.41301150600641 0.66716412760002 15.999 > 7 59 O 0.38346283569643 0.91301150600641 0.66716412760002 15.999 > 7 60 O 0.88346283569643 0.91301150600641 0.66716412760002 15.999 > 7 61 O 0.08698849399359 0.13346283569643 0.91716412760002 15.999 > 8 62 O 0.58698849399359 0.13346283569643 0.91716412760002 15.999 > 8 63 O 0.08698849399359 0.63346283569643 0.91716412760002 15.999 > 8 64 O 0.58698849399359 0.63346283569643 0.91716412760002 15.999 > 8 *65 Ge 0.00000000000000 0.25000000000000 0.25000000000000 72.640 > 9 66 Ge 0.50000000000000 0.25000000000000 0.25000000000000 72.640 > 9 67 Ge 0.00000000000000 0.75000000000000 0.25000000000000 72.640 > 9 68 Ge 0.50000000000000 0.75000000000000 0.25000000000000 72.640 > 9 69 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 > 10 70 Ge 0.50000000000000 0.00000000000000 0.00000000000000 72.640 > 10 71 Ge 0.00000000000000 0.50000000000000 0.00000000000000 72.640 > 10 72 Ge 0.50000000000000 0.50000000000000 0.00000000000000 72.640 > 10 73 Ge 0.25000000000000 0.00000000000000 0.75000000000000 72.640 > 9 74 Ge 0.75000000000000 0.00000000000000 0.75000000000000 72.640 > 9 75 Ge 0.25000000000000 0.50000000000000 0.75000000000000 72.640 > 9 76 Ge 0.75000000000000 0.50000000000000 0.75000000000000 72.640 > 9 77 Ge 0.25000000000000 0.25000000000000 0.50000000000000 72.640 > 10 78 Ge 0.75000000000000 0.25000000000000 0.50000000000000 72.640 > 10 79 Ge 0.25000000000000 0.75000000000000 0.50000000000000 72.640 > 10 80 Ge 0.75000000000000 0.75000000000000 0.50000000000000 72.640 > 10 *81 Zr 0.25000000000000 0.00000000000000 0.25000000000000 91.224 > 11 82 Zr 0.75000000000000 0.00000000000000 0.25000000000000 91.224 > 11 83 Zr 0.25000000000000 0.50000000000000 0.25000000000000 91.224 > 11 84 Zr 0.75000000000000 0.50000000000000 0.25000000000000 91.224 > 11 85 Zr 0.25000000000000 0.25000000000000 0.00000000000000 91.224 > 12 86 Zr 0.75000000000000 0.25000000000000 0.00000000000000 91.224 > 12 87 Zr 0.25000000000000 0.75000000000000 0.00000000000000 91.224 > 12 88 Zr 0.75000000000000 0.75000000000000 0.00000000000000 91.224 > 12 89 Zr 0.00000000000000 0.25000000000000 0.75000000000000 91.224 > 11 90 Zr 0.50000000000000 0.25000000000000 0.75000000000000 91.224 > 11 91 Zr 0.00000000000000 0.75000000000000 0.75000000000000 91.224 > 11 92 Zr 0.50000000000000 0.75000000000000 0.75000000000000 91.224 > 11 93 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 > 12 94 Zr 0.50000000000000 0.00000000000000 0.50000000000000 91.224 > 12 95 Zr 0.00000000000000 0.50000000000000 0.50000000000000 91.224 > 12 96 Zr 0.50000000000000 0.50000000000000 0.50000000000000 91.224 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0285434 0.0000025 0.0000000 -0.0000025 5.0285434 0.0000000 0.0000000 0.0000000 4.7585694 -------------------------- Born effective charges -------------------------- 1 O -2.3807647 -0.5332692 -0.4476027 -0.5560925 -2.3614493 0.3292214 -0.2746172 0.3136279 -2.1780563 2 O -2.3614492 0.5560925 0.3292214 0.5332692 -2.3807647 0.4476027 0.3136279 0.2746172 -2.1780563 3 O -2.3614492 0.5560925 -0.3292214 0.5332692 -2.3807647 -0.4476027 -0.3136279 -0.2746172 -2.1780563 4 O -2.3807647 -0.5332692 0.4476027 -0.5560925 -2.3614493 -0.3292214 0.2746172 -0.3136279 -2.1780563 5 O -2.3807647 -0.5332692 0.4476027 -0.5560925 -2.3614493 -0.3292214 0.2746172 -0.3136279 -2.1780563 6 O -2.3614492 0.5560925 -0.3292214 0.5332692 -2.3807647 -0.4476027 -0.3136279 -0.2746172 -2.1780563 7 O -2.3614492 0.5560925 0.3292214 0.5332692 -2.3807647 0.4476027 0.3136279 0.2746172 -2.1780563 8 O -2.3807647 -0.5332692 -0.4476027 -0.5560925 -2.3614493 0.3292214 -0.2746172 0.3136279 -2.1780563 9 Ge 4.2588581 0.0212055 0.0000000 -0.0212055 4.2588581 0.0000000 0.0000000 -0.0000000 3.5496057 10 Ge 4.2588581 0.0212055 0.0000000 -0.0212055 4.2588581 0.0000000 0.0000000 -0.0000000 3.5496057 11 Zr 5.2255699 -0.0668521 0.0000000 0.0668521 5.2255699 0.0000000 0.0000000 -0.0000000 5.1626194 12 Zr 5.2255699 -0.0668521 0.0000000 0.0668521 5.2255699 0.0000000 0.0000000 -0.0000000 5.1626194 ---------------------------------------------------------------------------- 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: 0.179 Solver_block: 200 / 240 - Time: 0.185 Solver_block: 240 / 240 - Time: 0.083 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.454 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) 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 (yy) -0.00000000 (yy) 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 2026-01-07 22:40:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:40:15]------------------------- Compiled with OpenMP support (max 32 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 -2.433966140000000 2.433966140000000 5.267030485000000 b 2.433966140000000 -2.433966140000000 5.267030485000000 c 2.433966140000000 2.433966140000000 -5.267030485000000 Atomic positions (fractional): 1 O 0.56591020100712 0.15885888441280 0.05909734061996 15.999 2 O 0.25681286038717 0.81591020100712 0.90705131659432 15.999 3 O 0.90885888441280 0.34976154379284 0.09294868340567 15.999 4 O 0.09976154379284 0.50681286038717 0.94090265938005 15.999 5 O 0.65023845620716 0.74318713961283 0.55909734061996 15.999 6 O 0.84114111558720 0.90023845620716 0.40705131659433 15.999 7 O 0.49318713961283 0.43408979899288 0.59294868340568 15.999 8 O 0.18408979899288 0.09114111558720 0.44090265938005 15.999 9 Ge 0.75000000000000 0.25000000000000 0.50000000000000 72.640 10 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 11 Zr 0.25000000000000 0.75000000000000 0.50000000000000 91.224 12 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.735864560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.735864560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.534060970000001 Atomic positions (fractional): 1 O 0.41301150600641 0.11653716430357 0.33283587239998 15.999 > 1 2 O 0.91301150600641 0.11653716430357 0.33283587239998 15.999 > 1 3 O 0.41301150600641 0.61653716430357 0.33283587239998 15.999 > 1 4 O 0.91301150600641 0.61653716430357 0.33283587239998 15.999 > 1 5 O 0.36653716430357 0.08698849399359 0.08283587239998 15.999 > 5 6 O 0.86653716430357 0.08698849399359 0.08283587239998 15.999 > 5 7 O 0.36653716430357 0.58698849399359 0.08283587239998 15.999 > 5 8 O 0.86653716430357 0.58698849399359 0.08283587239998 15.999 > 5 9 O 0.13346283569643 0.41301150600641 0.08283587239998 15.999 > 9 10 O 0.63346283569643 0.41301150600641 0.08283587239998 15.999 > 9 11 O 0.13346283569643 0.91301150600641 0.08283587239998 15.999 > 9 12 O 0.63346283569643 0.91301150600641 0.08283587239998 15.999 > 9 13 O 0.08698849399359 0.38346283569643 0.33283587239998 15.999 > 13 14 O 0.58698849399359 0.38346283569643 0.33283587239998 15.999 > 13 15 O 0.08698849399359 0.88346283569643 0.33283587239998 15.999 > 13 16 O 0.58698849399359 0.88346283569643 0.33283587239998 15.999 > 13 17 O 0.16301150600641 0.11653716430357 0.41716412760002 15.999 > 17 18 O 0.66301150600641 0.11653716430357 0.41716412760002 15.999 > 17 19 O 0.16301150600641 0.61653716430357 0.41716412760002 15.999 > 17 20 O 0.66301150600641 0.61653716430357 0.41716412760002 15.999 > 17 21 O 0.36653716430357 0.33698849399359 0.16716412760002 15.999 > 21 22 O 0.86653716430357 0.33698849399359 0.16716412760002 15.999 > 21 23 O 0.36653716430357 0.83698849399359 0.16716412760002 15.999 > 21 24 O 0.86653716430357 0.83698849399359 0.16716412760002 15.999 > 21 25 O 0.13346283569643 0.16301150600641 0.16716412760002 15.999 > 25 26 O 0.63346283569643 0.16301150600641 0.16716412760002 15.999 > 25 27 O 0.13346283569643 0.66301150600641 0.16716412760002 15.999 > 25 28 O 0.63346283569643 0.66301150600641 0.16716412760002 15.999 > 25 29 O 0.33698849399359 0.38346283569643 0.41716412760002 15.999 > 29 30 O 0.83698849399359 0.38346283569643 0.41716412760002 15.999 > 29 31 O 0.33698849399359 0.88346283569643 0.41716412760002 15.999 > 29 32 O 0.83698849399359 0.88346283569643 0.41716412760002 15.999 > 29 33 O 0.16301150600641 0.36653716430357 0.83283587239998 15.999 > 1 34 O 0.66301150600641 0.36653716430357 0.83283587239998 15.999 > 1 35 O 0.16301150600641 0.86653716430357 0.83283587239998 15.999 > 1 36 O 0.66301150600641 0.86653716430357 0.83283587239998 15.999 > 1 37 O 0.11653716430357 0.33698849399359 0.58283587239998 15.999 > 5 38 O 0.61653716430357 0.33698849399359 0.58283587239998 15.999 > 5 39 O 0.11653716430357 0.83698849399359 0.58283587239998 15.999 > 5 40 O 0.61653716430357 0.83698849399359 0.58283587239998 15.999 > 5 41 O 0.38346283569643 0.16301150600641 0.58283587239998 15.999 > 9 42 O 0.88346283569643 0.16301150600641 0.58283587239998 15.999 > 9 43 O 0.38346283569643 0.66301150600641 0.58283587239998 15.999 > 9 44 O 0.88346283569643 0.66301150600641 0.58283587239998 15.999 > 9 45 O 0.33698849399359 0.13346283569643 0.83283587239998 15.999 > 13 46 O 0.83698849399359 0.13346283569643 0.83283587239998 15.999 > 13 47 O 0.33698849399359 0.63346283569643 0.83283587239998 15.999 > 13 48 O 0.83698849399359 0.63346283569643 0.83283587239998 15.999 > 13 49 O 0.41301150600641 0.36653716430357 0.91716412760002 15.999 > 17 50 O 0.91301150600641 0.36653716430357 0.91716412760002 15.999 > 17 51 O 0.41301150600641 0.86653716430357 0.91716412760002 15.999 > 17 52 O 0.91301150600641 0.86653716430357 0.91716412760002 15.999 > 17 53 O 0.11653716430357 0.08698849399359 0.66716412760002 15.999 > 21 54 O 0.61653716430357 0.08698849399359 0.66716412760002 15.999 > 21 55 O 0.11653716430357 0.58698849399359 0.66716412760002 15.999 > 21 56 O 0.61653716430357 0.58698849399359 0.66716412760002 15.999 > 21 57 O 0.38346283569643 0.41301150600641 0.66716412760002 15.999 > 25 58 O 0.88346283569643 0.41301150600641 0.66716412760002 15.999 > 25 59 O 0.38346283569643 0.91301150600641 0.66716412760002 15.999 > 25 60 O 0.88346283569643 0.91301150600641 0.66716412760002 15.999 > 25 61 O 0.08698849399359 0.13346283569643 0.91716412760002 15.999 > 29 62 O 0.58698849399359 0.13346283569643 0.91716412760002 15.999 > 29 63 O 0.08698849399359 0.63346283569643 0.91716412760002 15.999 > 29 64 O 0.58698849399359 0.63346283569643 0.91716412760002 15.999 > 29 65 Ge 0.00000000000000 0.25000000000000 0.25000000000000 72.640 > 65 66 Ge 0.50000000000000 0.25000000000000 0.25000000000000 72.640 > 65 67 Ge 0.00000000000000 0.75000000000000 0.25000000000000 72.640 > 65 68 Ge 0.50000000000000 0.75000000000000 0.25000000000000 72.640 > 65 69 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 > 69 70 Ge 0.50000000000000 0.00000000000000 0.00000000000000 72.640 > 69 71 Ge 0.00000000000000 0.50000000000000 0.00000000000000 72.640 > 69 72 Ge 0.50000000000000 0.50000000000000 0.00000000000000 72.640 > 69 73 Ge 0.25000000000000 0.00000000000000 0.75000000000000 72.640 > 65 74 Ge 0.75000000000000 0.00000000000000 0.75000000000000 72.640 > 65 75 Ge 0.25000000000000 0.50000000000000 0.75000000000000 72.640 > 65 76 Ge 0.75000000000000 0.50000000000000 0.75000000000000 72.640 > 65 77 Ge 0.25000000000000 0.25000000000000 0.50000000000000 72.640 > 69 78 Ge 0.75000000000000 0.25000000000000 0.50000000000000 72.640 > 69 79 Ge 0.25000000000000 0.75000000000000 0.50000000000000 72.640 > 69 80 Ge 0.75000000000000 0.75000000000000 0.50000000000000 72.640 > 69 81 Zr 0.25000000000000 0.00000000000000 0.25000000000000 91.224 > 81 82 Zr 0.75000000000000 0.00000000000000 0.25000000000000 91.224 > 81 83 Zr 0.25000000000000 0.50000000000000 0.25000000000000 91.224 > 81 84 Zr 0.75000000000000 0.50000000000000 0.25000000000000 91.224 > 81 85 Zr 0.25000000000000 0.25000000000000 0.00000000000000 91.224 > 85 86 Zr 0.75000000000000 0.25000000000000 0.00000000000000 91.224 > 85 87 Zr 0.25000000000000 0.75000000000000 0.00000000000000 91.224 > 85 88 Zr 0.75000000000000 0.75000000000000 0.00000000000000 91.224 > 85 89 Zr 0.00000000000000 0.25000000000000 0.75000000000000 91.224 > 81 90 Zr 0.50000000000000 0.25000000000000 0.75000000000000 91.224 > 81 91 Zr 0.00000000000000 0.75000000000000 0.75000000000000 91.224 > 81 92 Zr 0.50000000000000 0.75000000000000 0.75000000000000 91.224 > 81 93 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 > 85 94 Zr 0.50000000000000 0.00000000000000 0.50000000000000 91.224 > 85 95 Zr 0.00000000000000 0.50000000000000 0.50000000000000 91.224 > 85 96 Zr 0.50000000000000 0.50000000000000 0.50000000000000 91.224 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0285434 0.0000025 0.0000000 -0.0000025 5.0285434 0.0000000 0.0000000 0.0000000 4.7585694 -------------------------- Born effective charges -------------------------- 1 O -2.3807647 -0.5332692 -0.4476027 -0.5560925 -2.3614493 0.3292214 -0.2746172 0.3136279 -2.1780563 2 O -2.3614492 0.5560925 0.3292214 0.5332692 -2.3807647 0.4476027 0.3136279 0.2746172 -2.1780563 3 O -2.3614492 0.5560925 -0.3292214 0.5332692 -2.3807647 -0.4476027 -0.3136279 -0.2746172 -2.1780563 4 O -2.3807647 -0.5332692 0.4476027 -0.5560925 -2.3614493 -0.3292214 0.2746172 -0.3136279 -2.1780563 5 O -2.3807647 -0.5332692 0.4476027 -0.5560925 -2.3614493 -0.3292214 0.2746172 -0.3136279 -2.1780563 6 O -2.3614492 0.5560925 -0.3292214 0.5332692 -2.3807647 -0.4476027 -0.3136279 -0.2746172 -2.1780563 7 O -2.3614492 0.5560925 0.3292214 0.5332692 -2.3807647 0.4476027 0.3136279 0.2746172 -2.1780563 8 O -2.3807647 -0.5332692 -0.4476027 -0.5560925 -2.3614493 0.3292214 -0.2746172 0.3136279 -2.1780563 9 Ge 4.2588581 0.0212055 0.0000000 -0.0212055 4.2588581 0.0000000 0.0000000 -0.0000000 3.5496057 10 Ge 4.2588581 0.0212055 0.0000000 -0.0212055 4.2588581 0.0000000 0.0000000 -0.0000000 3.5496057 11 Zr 5.2255699 -0.0668521 0.0000000 0.0668521 5.2255699 0.0000000 0.0000000 -0.0000000 5.1626194 12 Zr 5.2255699 -0.0668521 0.0000000 0.0668521 5.2255699 0.0000000 0.0000000 -0.0000000 5.1626194 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000008 (yzy) 0.00000008 (yzy) 0.00000008 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000007 (yx) 0.00000007 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:40:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:40:24]------------------------- Compiled with OpenMP support (max 32 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 -2.433966140000000 2.433966140000000 5.267030485000000 b 2.433966140000000 -2.433966140000000 5.267030485000000 c 2.433966140000000 2.433966140000000 -5.267030485000000 Atomic positions (fractional): 1 O 0.56591020100712 0.15885888441280 0.05909734061996 15.999 2 O 0.25681286038717 0.81591020100712 0.90705131659432 15.999 3 O 0.90885888441280 0.34976154379284 0.09294868340567 15.999 4 O 0.09976154379284 0.50681286038717 0.94090265938005 15.999 5 O 0.65023845620716 0.74318713961283 0.55909734061996 15.999 6 O 0.84114111558720 0.90023845620716 0.40705131659433 15.999 7 O 0.49318713961283 0.43408979899288 0.59294868340568 15.999 8 O 0.18408979899288 0.09114111558720 0.44090265938005 15.999 9 Ge 0.75000000000000 0.25000000000000 0.50000000000000 72.640 10 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 11 Zr 0.25000000000000 0.75000000000000 0.50000000000000 91.224 12 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.735864560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.735864560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.534060970000001 Atomic positions (fractional): 1 O 0.41301150600641 0.11653716430357 0.33283587239998 15.999 > 1 2 O 0.91301150600641 0.11653716430357 0.33283587239998 15.999 > 1 3 O 0.41301150600641 0.61653716430357 0.33283587239998 15.999 > 1 4 O 0.91301150600641 0.61653716430357 0.33283587239998 15.999 > 1 5 O 0.36653716430357 0.08698849399359 0.08283587239998 15.999 > 5 6 O 0.86653716430357 0.08698849399359 0.08283587239998 15.999 > 5 7 O 0.36653716430357 0.58698849399359 0.08283587239998 15.999 > 5 8 O 0.86653716430357 0.58698849399359 0.08283587239998 15.999 > 5 9 O 0.13346283569643 0.41301150600641 0.08283587239998 15.999 > 9 10 O 0.63346283569643 0.41301150600641 0.08283587239998 15.999 > 9 11 O 0.13346283569643 0.91301150600641 0.08283587239998 15.999 > 9 12 O 0.63346283569643 0.91301150600641 0.08283587239998 15.999 > 9 13 O 0.08698849399359 0.38346283569643 0.33283587239998 15.999 > 13 14 O 0.58698849399359 0.38346283569643 0.33283587239998 15.999 > 13 15 O 0.08698849399359 0.88346283569643 0.33283587239998 15.999 > 13 16 O 0.58698849399359 0.88346283569643 0.33283587239998 15.999 > 13 17 O 0.16301150600641 0.11653716430357 0.41716412760002 15.999 > 17 18 O 0.66301150600641 0.11653716430357 0.41716412760002 15.999 > 17 19 O 0.16301150600641 0.61653716430357 0.41716412760002 15.999 > 17 20 O 0.66301150600641 0.61653716430357 0.41716412760002 15.999 > 17 21 O 0.36653716430357 0.33698849399359 0.16716412760002 15.999 > 21 22 O 0.86653716430357 0.33698849399359 0.16716412760002 15.999 > 21 23 O 0.36653716430357 0.83698849399359 0.16716412760002 15.999 > 21 24 O 0.86653716430357 0.83698849399359 0.16716412760002 15.999 > 21 25 O 0.13346283569643 0.16301150600641 0.16716412760002 15.999 > 25 26 O 0.63346283569643 0.16301150600641 0.16716412760002 15.999 > 25 27 O 0.13346283569643 0.66301150600641 0.16716412760002 15.999 > 25 28 O 0.63346283569643 0.66301150600641 0.16716412760002 15.999 > 25 29 O 0.33698849399359 0.38346283569643 0.41716412760002 15.999 > 29 30 O 0.83698849399359 0.38346283569643 0.41716412760002 15.999 > 29 31 O 0.33698849399359 0.88346283569643 0.41716412760002 15.999 > 29 32 O 0.83698849399359 0.88346283569643 0.41716412760002 15.999 > 29 33 O 0.16301150600641 0.36653716430357 0.83283587239998 15.999 > 1 34 O 0.66301150600641 0.36653716430357 0.83283587239998 15.999 > 1 35 O 0.16301150600641 0.86653716430357 0.83283587239998 15.999 > 1 36 O 0.66301150600641 0.86653716430357 0.83283587239998 15.999 > 1 37 O 0.11653716430357 0.33698849399359 0.58283587239998 15.999 > 5 38 O 0.61653716430357 0.33698849399359 0.58283587239998 15.999 > 5 39 O 0.11653716430357 0.83698849399359 0.58283587239998 15.999 > 5 40 O 0.61653716430357 0.83698849399359 0.58283587239998 15.999 > 5 41 O 0.38346283569643 0.16301150600641 0.58283587239998 15.999 > 9 42 O 0.88346283569643 0.16301150600641 0.58283587239998 15.999 > 9 43 O 0.38346283569643 0.66301150600641 0.58283587239998 15.999 > 9 44 O 0.88346283569643 0.66301150600641 0.58283587239998 15.999 > 9 45 O 0.33698849399359 0.13346283569643 0.83283587239998 15.999 > 13 46 O 0.83698849399359 0.13346283569643 0.83283587239998 15.999 > 13 47 O 0.33698849399359 0.63346283569643 0.83283587239998 15.999 > 13 48 O 0.83698849399359 0.63346283569643 0.83283587239998 15.999 > 13 49 O 0.41301150600641 0.36653716430357 0.91716412760002 15.999 > 17 50 O 0.91301150600641 0.36653716430357 0.91716412760002 15.999 > 17 51 O 0.41301150600641 0.86653716430357 0.91716412760002 15.999 > 17 52 O 0.91301150600641 0.86653716430357 0.91716412760002 15.999 > 17 53 O 0.11653716430357 0.08698849399359 0.66716412760002 15.999 > 21 54 O 0.61653716430357 0.08698849399359 0.66716412760002 15.999 > 21 55 O 0.11653716430357 0.58698849399359 0.66716412760002 15.999 > 21 56 O 0.61653716430357 0.58698849399359 0.66716412760002 15.999 > 21 57 O 0.38346283569643 0.41301150600641 0.66716412760002 15.999 > 25 58 O 0.88346283569643 0.41301150600641 0.66716412760002 15.999 > 25 59 O 0.38346283569643 0.91301150600641 0.66716412760002 15.999 > 25 60 O 0.88346283569643 0.91301150600641 0.66716412760002 15.999 > 25 61 O 0.08698849399359 0.13346283569643 0.91716412760002 15.999 > 29 62 O 0.58698849399359 0.13346283569643 0.91716412760002 15.999 > 29 63 O 0.08698849399359 0.63346283569643 0.91716412760002 15.999 > 29 64 O 0.58698849399359 0.63346283569643 0.91716412760002 15.999 > 29 65 Ge 0.00000000000000 0.25000000000000 0.25000000000000 72.640 > 65 66 Ge 0.50000000000000 0.25000000000000 0.25000000000000 72.640 > 65 67 Ge 0.00000000000000 0.75000000000000 0.25000000000000 72.640 > 65 68 Ge 0.50000000000000 0.75000000000000 0.25000000000000 72.640 > 65 69 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 > 69 70 Ge 0.50000000000000 0.00000000000000 0.00000000000000 72.640 > 69 71 Ge 0.00000000000000 0.50000000000000 0.00000000000000 72.640 > 69 72 Ge 0.50000000000000 0.50000000000000 0.00000000000000 72.640 > 69 73 Ge 0.25000000000000 0.00000000000000 0.75000000000000 72.640 > 65 74 Ge 0.75000000000000 0.00000000000000 0.75000000000000 72.640 > 65 75 Ge 0.25000000000000 0.50000000000000 0.75000000000000 72.640 > 65 76 Ge 0.75000000000000 0.50000000000000 0.75000000000000 72.640 > 65 77 Ge 0.25000000000000 0.25000000000000 0.50000000000000 72.640 > 69 78 Ge 0.75000000000000 0.25000000000000 0.50000000000000 72.640 > 69 79 Ge 0.25000000000000 0.75000000000000 0.50000000000000 72.640 > 69 80 Ge 0.75000000000000 0.75000000000000 0.50000000000000 72.640 > 69 81 Zr 0.25000000000000 0.00000000000000 0.25000000000000 91.224 > 81 82 Zr 0.75000000000000 0.00000000000000 0.25000000000000 91.224 > 81 83 Zr 0.25000000000000 0.50000000000000 0.25000000000000 91.224 > 81 84 Zr 0.75000000000000 0.50000000000000 0.25000000000000 91.224 > 81 85 Zr 0.25000000000000 0.25000000000000 0.00000000000000 91.224 > 85 86 Zr 0.75000000000000 0.25000000000000 0.00000000000000 91.224 > 85 87 Zr 0.25000000000000 0.75000000000000 0.00000000000000 91.224 > 85 88 Zr 0.75000000000000 0.75000000000000 0.00000000000000 91.224 > 85 89 Zr 0.00000000000000 0.25000000000000 0.75000000000000 91.224 > 81 90 Zr 0.50000000000000 0.25000000000000 0.75000000000000 91.224 > 81 91 Zr 0.00000000000000 0.75000000000000 0.75000000000000 91.224 > 81 92 Zr 0.50000000000000 0.75000000000000 0.75000000000000 91.224 > 81 93 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 > 85 94 Zr 0.50000000000000 0.00000000000000 0.50000000000000 91.224 > 85 95 Zr 0.00000000000000 0.50000000000000 0.50000000000000 91.224 > 85 96 Zr 0.50000000000000 0.50000000000000 0.50000000000000 91.224 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.0285434 0.0000025 0.0000000 -0.0000025 5.0285434 0.0000000 0.0000000 0.0000000 4.7585694 -------------------------- Born effective charges -------------------------- 1 O -2.3807647 -0.5332692 -0.4476027 -0.5560925 -2.3614493 0.3292214 -0.2746172 0.3136279 -2.1780563 2 O -2.3614492 0.5560925 0.3292214 0.5332692 -2.3807647 0.4476027 0.3136279 0.2746172 -2.1780563 3 O -2.3614492 0.5560925 -0.3292214 0.5332692 -2.3807647 -0.4476027 -0.3136279 -0.2746172 -2.1780563 4 O -2.3807647 -0.5332692 0.4476027 -0.5560925 -2.3614493 -0.3292214 0.2746172 -0.3136279 -2.1780563 5 O -2.3807647 -0.5332692 0.4476027 -0.5560925 -2.3614493 -0.3292214 0.2746172 -0.3136279 -2.1780563 6 O -2.3614492 0.5560925 -0.3292214 0.5332692 -2.3807647 -0.4476027 -0.3136279 -0.2746172 -2.1780563 7 O -2.3614492 0.5560925 0.3292214 0.5332692 -2.3807647 0.4476027 0.3136279 0.2746172 -2.1780563 8 O -2.3807647 -0.5332692 -0.4476027 -0.5560925 -2.3614493 0.3292214 -0.2746172 0.3136279 -2.1780563 9 Ge 4.2588581 0.0212055 0.0000000 -0.0212055 4.2588581 0.0000000 0.0000000 -0.0000000 3.5496057 10 Ge 4.2588581 0.0212055 0.0000000 -0.0212055 4.2588581 0.0000000 0.0000000 -0.0000000 3.5496057 11 Zr 5.2255699 -0.0668521 0.0000000 0.0668521 5.2255699 0.0000000 0.0000000 -0.0000000 5.1626194 12 Zr 5.2255699 -0.0668521 0.0000000 0.0668521 5.2255699 0.0000000 0.0000000 -0.0000000 5.1626194 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000008 (yzy) 0.00000008 (yzy) 0.00000008 (yyz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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: 0.83, Number of G-points: 297, Lambda: 0.19 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 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 4.796 ( 0.000 0.000 0.000) 0.000 5.180 ( 0.000 -0.000 -0.000) 0.000 5.180 ( 0.000 0.000 -0.000) 0.000 5.360 ( 0.000 -0.000 0.000) 0.000 5.689 ( 0.000 -0.000 -0.000) 0.000 5.689 ( 0.000 0.000 0.000) 0.000 7.372 ( 0.000 0.000 -0.000) 0.000 7.372 ( 0.000 0.000 0.000) 0.000 8.359 ( 0.000 -0.000 0.000) 0.000 8.388 ( 0.000 0.000 0.000) 0.000 8.601 ( 0.000 0.000 0.000) 0.000 8.601 ( 0.000 0.000 0.000) 0.000 9.000 ( 0.000 -0.000 0.000) 0.000 9.851 ( 0.000 -0.000 0.000) 0.000 11.006 ( 0.000 -0.000 0.000) 0.000 11.006 ( 0.000 0.000 0.000) 0.000 11.064 ( 0.000 -0.000 -0.000) 0.000 11.571 ( 0.000 -0.000 -0.000) 0.000 12.741 ( 0.000 0.000 0.000) 0.000 12.741 ( 0.000 -0.000 0.000) 0.000 14.328 ( 0.000 -0.000 0.000) 0.000 14.328 ( 0.000 0.000 0.000) 0.000 14.968 ( 0.000 0.000 0.000) 0.000 16.371 ( 0.000 -0.000 -0.000) 0.000 18.373 ( 0.000 0.000 0.000) 0.000 19.807 ( 0.000 0.000 0.000) 0.000 19.807 ( 0.000 -0.000 0.000) 0.000 20.076 ( 0.000 0.000 0.000) 0.000 20.668 ( 0.000 -0.000 -0.000) 0.000 22.029 ( 0.000 0.000 -0.000) 0.000 22.386 ( 0.000 -0.000 0.000) 0.000 22.386 ( 0.000 -0.000 0.000) 0.000 22.916 ( 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 29.795 -10.943 13.425) 34.463 1.824 ( 30.841 -5.385 26.422) 40.967 3.427 ( 69.012 10.713 16.255) 71.705 4.818 ( -12.235 1.513 -4.930) 13.278 4.919 ( 5.498 -3.849 0.280) 6.717 5.273 ( 5.468 -7.105 -8.046) 12.046 5.712 ( 20.668 2.257 -5.732) 21.566 6.133 ( 16.838 -6.465 0.603) 18.046 6.794 ( 3.395 6.860 -17.039) 18.679 7.158 ( -1.633 8.818 -15.120) 17.580 7.321 ( 2.923 -5.358 -9.323) 11.144 7.969 ( -12.578 -0.600 2.410) 12.821 8.205 ( -13.307 5.657 -0.719) 14.478 8.824 ( 1.546 -14.384 -0.805) 14.489 8.841 ( -19.593 -3.920 27.261) 33.800 9.136 ( -10.872 4.473 -8.225) 14.348 9.450 ( -12.051 11.426 2.410) 16.781 11.005 ( -2.268 0.665 0.417) 2.400 11.157 ( -2.035 1.103 5.233) 5.722 11.290 ( -1.973 -3.405 3.920) 5.555 11.688 ( 11.974 10.503 4.201) 16.472 12.942 ( 8.790 -14.898 -3.608) 17.670 14.232 ( 4.877 7.052 -13.531) 16.019 14.339 ( 5.429 -4.158 -6.634) 9.528 14.583 ( 9.643 0.451 0.885) 9.694 16.097 ( -17.015 0.288 17.429) 24.359 16.183 ( -12.736 1.490 18.693) 22.668 17.993 ( -14.910 -0.633 -1.898) 15.044 19.513 ( -10.506 -12.620 -1.171) 16.463 20.054 ( 1.868 0.953 -5.108) 5.522 20.927 ( 7.398 12.565 0.910) 14.610 21.589 ( -13.662 1.237 5.206) 14.673 22.415 ( 0.493 -4.493 0.055) 4.520 22.662 ( 3.978 1.215 -4.936) 6.455 22.841 ( 0.936 -0.402 3.157) 3.317 23.790 ( 12.450 0.483 -24.068) 27.102 ======================= Grid point 2 (3/156) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( 14.275 -8.397 7.258) 18.082 3.406 ( 21.123 -1.643 12.611) 24.656 4.274 ( -7.495 3.025 5.833) 9.967 4.988 ( -4.041 1.947 -5.130) 6.814 5.414 ( 14.245 -9.614 -8.397) 19.127 6.120 ( 22.738 2.755 6.549) 23.822 6.233 ( 1.727 10.749 5.989) 12.426 6.499 ( 15.627 3.189 -12.976) 20.561 6.549 ( 12.297 -0.635 -19.828) 23.340 7.097 ( -4.514 2.716 -3.461) 6.303 7.235 ( 11.157 -8.521 4.451) 14.727 7.560 ( -16.383 -12.725 2.207) 20.862 7.785 ( -6.099 2.269 4.027) 7.653 8.181 ( -19.134 2.504 0.680) 19.309 8.662 ( -0.443 -2.424 -6.866) 7.295 8.912 ( -5.058 3.718 -1.859) 6.547 9.347 ( 0.949 13.514 21.879) 25.734 10.618 ( -11.806 -5.988 -5.546) 14.353 11.049 ( -5.132 -0.762 -5.030) 7.226 11.142 ( -0.374 1.845 0.847) 2.064 12.437 ( 13.632 9.682 10.190) 19.581 13.007 ( -2.102 -16.800 -10.492) 19.918 14.336 ( 7.014 10.556 -0.953) 12.709 14.439 ( -0.275 -5.352 3.646) 6.482 14.985 ( 4.845 -1.383 5.375) 7.367 15.571 ( -9.331 -0.317 -6.973) 11.653 16.133 ( -3.551 2.782 9.160) 10.211 17.376 ( -9.653 -1.318 -1.735) 9.896 19.120 ( -5.673 -6.792 -0.805) 8.886 20.035 ( 1.496 1.213 -4.099) 4.529 20.910 ( -3.890 4.201 -1.577) 5.939 21.541 ( 1.371 6.023 7.137) 9.438 22.366 ( -0.925 -6.699 -2.400) 7.175 22.623 ( -0.311 0.561 0.209) 0.675 23.027 ( 2.021 0.110 1.780) 2.695 23.793 ( 2.885 0.908 -7.617) 8.196 ======================= Grid point 5 (4/156) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 26.332 26.352 0.000) 37.253 1.248 ( 13.983 44.277 0.000) 46.433 2.240 ( 59.124 40.887 0.000) 71.885 4.880 ( 2.246 7.873 0.000) 8.187 4.968 ( -7.565 -9.750 -0.000) 12.341 5.295 ( -2.855 3.919 0.000) 4.849 5.581 ( 14.996 12.033 0.000) 19.226 5.813 ( 4.354 7.220 0.000) 8.431 7.154 ( -6.676 -10.858 -0.000) 12.746 7.415 ( 14.377 5.327 0.000) 15.332 7.460 ( 1.438 5.796 0.000) 5.971 8.142 ( -10.328 -10.344 -0.000) 14.617 8.393 ( -1.774 -2.051 -0.000) 2.712 8.408 ( -2.182 -15.187 -0.000) 15.343 8.934 ( -19.136 16.735 0.000) 25.421 9.443 ( -15.638 -16.765 -0.000) 22.926 9.474 ( 15.407 -7.334 -0.000) 17.064 11.046 ( 5.195 -1.310 -0.000) 5.357 11.119 ( 0.603 4.151 0.000) 4.195 11.169 ( 2.285 8.755 0.000) 9.049 11.480 ( 4.294 -11.306 -0.000) 12.094 12.872 ( -1.739 13.943 0.000) 14.051 14.301 ( -3.794 1.531 0.000) 4.091 14.356 ( 4.083 -1.073 -0.000) 4.222 14.964 ( -0.214 -0.441 -0.000) 0.491 15.408 ( 2.852 0.169 0.000) 2.857 16.288 ( -3.792 -3.968 -0.000) 5.489 18.168 ( -9.915 -9.620 -0.000) 13.814 19.778 ( -11.738 8.986 0.000) 14.783 20.095 ( 1.260 1.039 0.000) 1.633 20.685 ( 10.637 -9.102 -0.000) 14.000 21.712 ( -10.634 -11.834 -0.000) 15.910 22.421 ( 0.069 2.937 0.000) 2.938 22.601 ( 6.968 5.571 0.000) 8.921 22.848 ( -3.221 -2.619 -0.000) 4.152 24.035 ( 0.330 0.003 0.000) 0.330 ======================= Grid point 6 (5/156) ======================= q-point: ( 0.00 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 21.597 13.263 9.473) 27.056 2.576 ( 30.706 13.087 20.243) 39.037 4.514 ( -12.148 -2.852 -1.594) 12.580 4.755 ( 37.908 -13.041 2.880) 40.192 5.134 ( 5.849 -3.518 -5.807) 8.962 5.297 ( 19.497 13.765 4.329) 24.256 6.203 ( 16.279 -0.509 -6.521) 17.544 6.403 ( 17.535 4.117 0.248) 18.014 6.771 ( -8.191 4.646 -3.893) 10.190 7.135 ( -7.330 -5.153 -11.355) 14.465 7.490 ( -15.508 -13.715 -10.007) 22.995 7.588 ( 0.683 4.952 -12.223) 13.206 8.006 ( -10.492 7.452 8.262) 15.293 8.374 ( -15.891 -8.260 13.845) 22.637 8.644 ( 0.625 5.616 0.704) 5.694 9.107 ( -0.338 2.767 6.028) 6.642 9.498 ( -4.521 10.810 0.307) 11.721 10.867 ( -13.009 0.160 2.855) 13.320 11.168 ( -2.497 2.007 1.412) 3.501 11.204 ( -1.307 0.246 -2.490) 2.823 12.128 ( 19.294 -0.088 2.593) 19.468 12.869 ( 4.779 -2.334 -9.007) 10.460 14.167 ( -5.849 -0.663 11.740) 13.133 14.598 ( 8.535 4.141 -11.426) 14.851 14.789 ( 6.064 2.894 -1.093) 6.807 15.756 ( -10.788 -3.018 13.682) 17.683 16.070 ( -1.269 -0.885 1.053) 1.871 17.530 ( -16.002 -12.371 -2.315) 20.358 19.185 ( -11.169 1.699 0.515) 11.309 20.139 ( 2.534 3.261 -4.188) 5.881 21.110 ( -3.147 -3.759 -4.053) 6.361 21.379 ( 2.286 -4.798 7.983) 9.591 22.333 ( -2.436 -0.807 -2.205) 3.384 22.654 ( -4.301 0.109 1.500) 4.557 22.908 ( 4.534 -0.510 2.317) 5.118 23.931 ( 2.640 -1.963 -12.071) 12.512 ======================= Grid point 7 (6/156) ======================= q-point: ( 0.00 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.049 ( 8.493 11.018 7.242) 15.683 3.747 ( 0.817 8.931 2.902) 9.426 4.290 ( 3.519 2.926 10.191) 11.172 4.924 ( -5.426 4.355 -6.483) 9.510 5.455 ( 13.809 -14.606 -1.712) 20.173 5.911 ( -19.081 4.219 7.705) 21.006 6.242 ( 4.149 -19.071 3.023) 19.749 6.346 ( -19.721 -26.407 -0.875) 32.970 6.941 ( 4.636 -2.615 -8.061) 9.660 7.042 ( -8.468 3.059 -2.244) 9.279 7.298 ( 12.585 -4.390 -5.344) 14.360 7.470 ( 12.032 10.996 9.939) 19.091 7.882 ( 5.114 9.618 -4.780) 11.896 7.911 ( -6.482 0.789 -2.073) 6.851 8.659 ( -4.697 6.073 0.943) 7.735 8.890 ( 0.319 1.621 -3.467) 3.840 9.799 ( -4.345 22.732 0.584) 23.151 10.428 ( 2.664 4.661 7.215) 8.993 10.983 ( -1.453 -1.463 -2.272) 3.068 11.102 ( -3.101 0.229 3.730) 4.856 12.665 ( -2.287 -10.848 -16.525) 19.900 12.967 ( 14.561 12.703 5.505) 20.093 14.154 ( -9.010 -10.311 9.144) 16.466 14.677 ( 3.863 7.572 -5.436) 10.090 15.094 ( 3.511 3.875 3.818) 6.475 15.404 ( -5.002 -0.515 0.829) 5.096 16.149 ( 3.145 -2.200 -5.242) 6.497 17.113 ( 0.262 -13.952 0.362) 13.959 19.038 ( 1.677 2.300 6.855) 7.422 20.091 ( -1.894 4.024 -2.464) 5.084 20.846 ( -3.285 -1.747 0.566) 3.763 21.528 ( 1.230 -10.026 -9.871) 14.124 22.366 ( 2.729 4.442 6.940) 8.680 22.579 ( -2.437 -1.065 4.193) 4.965 23.039 ( 0.756 -1.808 -0.184) 1.968 23.773 ( -2.066 -3.701 -4.729) 6.350 ======================= Grid point 8 (7/156) ======================= q-point: ( 0.00 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( -19.418 20.491 -10.940) 30.275 3.025 ( -27.877 9.105 -13.879) 32.445 4.379 ( 8.418 -5.006 2.935) 10.224 4.629 ( -28.463 -9.910 -15.834) 34.045 5.299 ( -10.522 6.271 6.638) 13.932 5.412 ( -17.154 7.484 3.930) 19.124 5.996 ( -19.203 1.720 13.604) 23.597 6.389 ( 14.546 -8.132 3.918) 17.119 6.559 ( -11.561 5.793 12.525) 18.002 6.780 ( -14.949 1.764 10.545) 18.379 7.263 ( 7.729 -6.578 0.181) 10.151 7.706 ( 1.846 -6.042 0.366) 6.328 8.079 ( 6.566 6.726 -5.627) 10.955 8.629 ( 22.288 -5.512 -2.506) 23.096 8.745 ( 0.698 2.665 18.888) 19.087 8.992 ( 4.629 4.784 0.665) 6.690 9.311 ( 7.053 3.190 -28.994) 30.010 10.975 ( 5.025 7.916 5.333) 10.786 11.086 ( 4.588 -3.559 1.992) 6.139 11.205 ( 4.623 1.717 2.892) 5.717 12.037 ( -9.317 -5.232 -20.268) 22.912 13.318 ( -7.839 11.263 5.332) 14.722 13.916 ( -6.375 -7.524 14.034) 17.152 14.575 ( 0.090 6.284 -8.889) 10.886 14.893 ( -9.084 2.666 -6.465) 11.464 15.738 ( 7.677 -1.836 13.520) 15.656 16.230 ( 15.589 -7.504 -22.063) 28.037 17.527 ( 15.011 -11.758 2.302) 19.206 19.521 ( 11.212 12.291 9.963) 19.392 19.971 ( -4.163 -1.099 4.115) 5.956 20.754 ( -3.772 -8.717 -0.460) 9.509 21.420 ( 8.824 -9.587 -13.068) 18.454 22.527 ( -1.829 -0.697 0.958) 2.179 22.621 ( 1.116 7.828 5.022) 9.367 22.955 ( -3.052 -1.722 -3.361) 4.856 23.643 ( -7.551 -1.809 12.070) 14.352 ======================= Grid point 9 (8/156) ======================= q-point: ( 0.00 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -30.462 15.543 -20.526) 39.886 1.458 ( -26.065 20.787 -24.045) 41.106 2.512 ( -35.715 48.121 -29.243) 66.681 4.837 ( -0.207 -2.838 4.787) 5.568 4.958 ( 2.542 -1.150 0.621) 2.858 5.220 ( -5.432 -0.787 7.921) 9.637 5.517 ( -10.160 11.638 5.752) 16.484 5.837 ( -7.231 4.685 -1.685) 8.779 6.761 ( -13.118 18.869 28.333) 36.481 7.168 ( 4.562 1.060 12.199) 13.067 7.351 ( -5.093 1.231 10.207) 11.473 8.088 ( 9.663 -9.925 1.141) 13.899 8.377 ( 10.111 -0.488 4.060) 10.906 8.723 ( -8.338 -6.950 -1.969) 11.032 9.044 ( -3.289 1.975 -0.912) 3.943 9.416 ( 13.337 -21.972 -2.339) 25.809 9.611 ( 22.137 -5.249 -19.704) 30.097 11.079 ( 1.480 1.538 -4.271) 4.774 11.146 ( -2.816 2.599 -2.861) 4.782 11.321 ( -5.420 -3.617 -12.707) 14.280 11.493 ( 9.700 7.485 -3.169) 12.656 12.834 ( -13.412 -3.010 3.466) 14.176 14.017 ( -15.408 21.439 39.090) 47.170 14.402 ( -4.494 -2.502 -6.812) 8.536 14.444 ( -1.057 6.329 -4.457) 7.812 16.211 ( 3.747 -3.537 8.235) 9.714 16.516 ( 30.606 -29.198 -58.716) 72.366 18.145 ( 9.553 -10.036 2.206) 14.030 19.761 ( -9.035 -12.283 1.741) 15.347 20.017 ( 0.616 3.531 7.403) 8.225 20.731 ( 8.498 9.378 -4.360) 13.385 21.754 ( 11.175 -10.294 -4.332) 15.800 22.396 ( -3.838 -0.943 2.946) 4.929 22.612 ( -5.139 7.458 -1.092) 9.123 22.839 ( 1.218 -1.791 1.164) 2.459 23.555 ( -17.960 18.038 37.065) 44.964 ======================= Grid point 10 (9/156) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 27.663 27.768 0.000) 39.196 2.347 ( 9.997 37.662 0.000) 38.966 3.873 ( 35.488 18.914 0.000) 40.213 4.577 ( -8.247 -9.999 -0.000) 12.961 5.234 ( -8.916 3.143 0.000) 9.454 5.320 ( 13.555 18.579 0.000) 22.998 6.158 ( 8.639 14.630 0.000) 16.990 6.202 ( 10.496 7.653 0.000) 12.990 6.861 ( 4.578 -4.090 -0.000) 6.139 7.438 ( -15.083 -23.134 -0.000) 27.616 7.518 ( -13.693 3.098 0.000) 14.039 7.968 ( -7.641 -15.031 -0.000) 16.861 8.038 ( 13.784 11.892 0.000) 18.205 8.127 ( -5.783 -8.411 -0.000) 10.207 8.841 ( -4.310 -17.430 -0.000) 17.955 8.917 ( -4.656 7.971 0.000) 9.231 9.580 ( 6.967 -4.277 -0.000) 8.175 11.110 ( -12.932 4.811 0.000) 13.798 11.159 ( 4.857 1.883 0.000) 5.209 11.331 ( -1.073 4.411 0.000) 4.540 11.499 ( 20.699 -7.998 -0.000) 22.191 13.207 ( -1.315 20.701 0.000) 20.743 14.230 ( -8.186 2.513 0.000) 8.563 14.459 ( 9.298 -2.726 -0.000) 9.689 14.950 ( 0.112 0.325 0.000) 0.344 15.476 ( 3.738 -1.082 -0.000) 3.892 16.085 ( -4.298 -6.468 -0.000) 7.766 17.610 ( -17.363 -15.994 -0.000) 23.607 19.704 ( -18.311 14.327 0.000) 23.250 20.186 ( 3.739 2.882 0.000) 4.721 20.721 ( 17.067 -15.429 -0.000) 23.008 21.211 ( -11.231 -14.261 -0.000) 18.153 22.484 ( -1.977 4.656 0.000) 5.058 22.717 ( -4.486 -1.563 -0.000) 4.750 22.801 ( 4.008 2.529 0.000) 4.739 23.988 ( -1.741 -4.052 -0.000) 4.410 ======================= Grid point 11 (10/156) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( 14.447 21.942 6.552) 27.075 3.504 ( 25.814 18.057 13.457) 34.256 4.286 ( -7.361 0.786 2.061) 7.684 4.942 ( 1.244 -14.573 -1.562) 14.709 5.025 ( 15.338 -4.751 1.158) 16.099 5.693 ( 1.378 -8.945 -4.534) 10.122 6.137 ( -11.800 -21.020 -0.858) 24.121 6.438 ( -26.138 -2.765 -0.338) 26.286 6.760 ( 4.597 1.230 3.012) 5.632 6.915 ( 3.040 -12.134 -4.638) 13.342 7.311 ( 15.044 10.503 -6.535) 19.477 7.693 ( 1.541 10.810 -3.776) 11.554 7.963 ( -4.950 6.172 6.796) 10.430 8.126 ( -6.268 4.482 2.736) 8.177 8.789 ( 7.362 -5.324 -11.270) 14.476 9.151 ( -6.465 5.427 -4.011) 9.346 9.928 ( 15.526 20.249 15.137) 29.669 10.580 ( -13.557 2.327 4.404) 14.443 11.109 ( -9.114 2.671 -1.272) 9.582 11.198 ( -1.492 2.570 -1.930) 3.543 12.467 ( 20.075 -6.326 -0.738) 21.061 13.067 ( 3.465 12.280 -12.702) 18.004 13.970 ( -9.756 -4.313 12.015) 16.067 14.808 ( 4.952 2.884 -4.879) 7.526 15.001 ( 6.886 5.795 3.009) 9.490 15.504 ( -7.611 -2.916 3.089) 8.716 16.082 ( 4.817 -2.794 -1.211) 5.699 16.879 ( -13.202 -20.495 -1.485) 24.424 19.098 ( -8.160 8.828 2.508) 12.280 20.275 ( 0.517 5.795 -2.953) 6.525 20.797 ( -5.757 -12.147 -0.019) 13.442 21.362 ( 8.934 -12.406 -2.173) 15.442 22.312 ( -2.723 4.434 1.981) 5.568 22.575 ( -3.693 1.820 4.122) 5.826 22.949 ( 2.102 -2.335 0.986) 3.293 23.830 ( -2.243 -7.879 -7.005) 10.778 ======================= Grid point 12 (11/156) ======================= q-point: ( 0.00 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.478 ( 0.100 19.257 3.715) 19.612 3.698 ( -17.724 4.052 1.873) 18.277 4.384 ( -3.422 2.434 -7.451) 8.553 4.994 ( 0.008 3.661 -2.637) 4.512 5.253 ( -4.400 -17.356 3.897) 18.324 5.615 ( -14.413 3.793 9.575) 17.715 5.689 ( 14.059 -16.244 0.294) 21.485 5.983 ( 0.231 -7.368 13.011) 14.954 6.635 ( -11.589 -8.048 9.838) 17.201 7.119 ( 1.770 3.367 -7.500) 8.409 7.270 ( -17.622 -1.762 -0.693) 17.723 7.449 ( 0.577 2.570 -4.810) 5.484 8.147 ( 6.760 5.431 0.647) 8.695 8.316 ( 9.583 8.476 5.237) 13.824 8.673 ( -5.400 5.250 -1.195) 7.626 9.003 ( 8.138 -2.773 -9.633) 12.912 10.007 ( -7.171 18.259 -11.669) 22.826 10.814 ( -1.382 -1.875 8.650) 8.958 10.926 ( 10.668 13.544 9.582) 19.724 11.157 ( 1.038 3.615 0.959) 3.882 12.473 ( -1.138 -4.612 -22.991) 23.477 13.511 ( 7.230 13.657 4.665) 16.142 13.640 ( -11.455 -14.377 7.890) 20.004 14.849 ( 0.515 5.721 -5.706) 8.097 15.224 ( -3.531 5.657 -2.283) 7.048 15.339 ( 0.478 -0.935 11.033) 11.083 16.155 ( 8.012 -8.303 -13.154) 17.497 16.847 ( 9.898 -21.227 4.278) 23.809 19.229 ( 6.638 5.736 12.391) 15.182 20.075 ( -6.576 2.091 -0.105) 6.901 20.729 ( -1.714 -4.364 1.215) 4.843 21.347 ( 5.674 -10.508 -17.028) 20.798 22.437 ( -0.991 -0.946 6.623) 6.763 22.655 ( 4.153 7.939 5.297) 10.408 22.983 ( -0.503 -3.734 -1.561) 4.078 23.576 ( -5.296 -7.032 -0.653) 8.827 ======================= Grid point 13 (12/156) ======================= q-point: ( 0.00 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( -28.896 10.509 -13.694) 33.659 2.800 ( -18.586 23.352 -19.504) 35.653 4.241 ( -13.548 20.310 -18.071) 30.374 4.431 ( 8.304 -3.908 3.900) 9.971 5.113 ( -6.059 -5.081 6.235) 10.070 5.398 ( -14.057 14.476 -3.347) 20.454 5.815 ( -11.250 11.669 12.668) 20.572 6.248 ( -18.381 11.907 5.543) 22.591 6.586 ( 13.998 -3.612 3.574) 14.892 6.891 ( 0.849 9.845 28.961) 30.601 7.221 ( 0.666 -7.517 5.615) 9.406 7.561 ( 6.598 -13.237 1.269) 14.844 8.257 ( 1.045 2.167 -2.328) 3.348 8.610 ( -0.190 -8.000 3.631) 8.787 8.818 ( 7.392 -9.573 1.997) 12.259 9.124 ( 0.826 1.998 4.888) 5.345 9.695 ( 6.389 8.412 -21.853) 24.272 11.067 ( 4.871 -1.164 3.057) 5.867 11.198 ( 1.246 -6.997 -2.940) 7.692 11.282 ( 0.177 5.467 2.875) 6.179 11.932 ( 0.660 6.366 -23.466) 24.324 12.947 ( -18.080 -8.121 7.705) 21.265 14.011 ( 0.840 12.740 13.816) 18.812 14.656 ( -4.002 0.600 -10.965) 11.688 14.768 ( -7.055 6.797 -5.160) 11.072 15.806 ( 5.085 -4.470 14.429) 15.939 16.364 ( 16.692 -14.576 -24.270) 32.865 17.522 ( 15.853 -18.223 3.801) 24.451 19.592 ( -8.467 -14.062 5.836) 17.421 19.946 ( 0.622 6.937 8.435) 10.939 20.791 ( 10.361 7.576 -1.827) 12.964 21.465 ( 11.205 -8.626 -11.214) 18.047 22.384 ( -5.287 -2.377 3.146) 6.595 22.833 ( -0.329 -1.350 -3.867) 4.109 22.839 ( -1.532 4.898 -1.550) 5.361 23.516 ( -5.352 5.412 18.015) 19.557 ======================= Grid point 15 (13/156) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.175 ( 6.347 26.201 0.000) 26.958 3.282 ( 25.397 26.436 0.000) 36.659 4.292 ( -4.199 -4.768 -0.000) 6.353 4.609 ( 15.628 8.057 0.000) 17.583 5.051 ( -15.582 1.397 0.000) 15.644 5.773 ( -3.647 3.820 0.000) 5.282 5.940 ( -8.298 -19.125 -0.000) 20.847 6.499 ( -13.868 -31.124 -0.000) 34.074 6.794 ( 12.637 16.855 0.000) 21.066 7.004 ( -23.623 -0.251 -0.000) 23.624 7.410 ( 18.820 16.403 0.000) 24.965 7.598 ( -0.983 -3.702 -0.000) 3.830 8.144 ( 9.169 0.262 0.000) 9.173 8.246 ( -7.679 0.185 -0.000) 7.681 8.496 ( 3.059 -16.189 -0.000) 16.476 9.280 ( 9.294 8.395 0.000) 12.524 9.689 ( 16.468 2.962 0.000) 16.732 10.940 ( -13.460 7.617 0.000) 15.466 11.277 ( -3.788 0.023 -0.000) 3.788 11.311 ( 0.146 2.746 0.000) 2.749 11.878 ( 23.406 -1.379 -0.000) 23.446 13.635 ( -2.088 23.910 0.000) 24.001 14.008 ( -13.841 -3.095 -0.000) 14.183 14.577 ( 11.896 -7.649 -0.000) 14.143 15.052 ( 3.145 6.412 0.000) 7.142 15.466 ( -0.943 -3.384 -0.000) 3.513 15.914 ( 2.267 -6.852 -0.000) 7.218 16.867 ( -20.206 -16.837 -0.000) 26.302 19.633 ( -18.102 15.669 0.000) 23.942 20.334 ( 4.971 -0.097 0.000) 4.972 20.706 ( -10.637 -10.374 -0.000) 14.858 20.739 ( 17.629 -17.657 -0.000) 24.951 22.535 ( -3.883 6.898 0.000) 7.916 22.630 ( -3.161 1.259 0.000) 3.402 22.872 ( 0.855 -0.156 -0.000) 0.869 23.776 ( -4.672 -10.147 -0.000) 11.171 ======================= Grid point 16 (14/156) ======================= q-point: ( 0.00 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.619 ( 9.939 16.837 3.888) 19.934 4.070 ( -12.511 3.146 1.101) 12.948 4.256 ( 11.210 2.660 9.659) 15.035 4.755 ( 13.033 -10.632 -2.808) 17.053 5.166 ( -13.869 -14.720 4.570) 20.734 5.242 ( 11.372 -5.424 -1.378) 12.674 5.530 ( -6.485 -9.800 -5.517) 12.982 5.952 ( -13.110 -9.126 -4.269) 16.534 6.499 ( -12.191 4.160 18.568) 22.599 7.035 ( 5.298 3.438 -2.195) 6.687 7.544 ( -11.352 3.598 3.886) 12.526 8.031 ( -1.047 13.073 -10.273) 16.660 8.139 ( 8.641 3.193 3.361) 9.806 8.241 ( 2.015 10.315 1.672) 10.642 8.762 ( 11.598 -14.718 -12.972) 22.790 9.068 ( -6.425 0.241 -6.231) 8.954 10.388 ( -2.873 8.104 6.116) 10.552 10.797 ( 11.088 11.437 2.639) 16.146 10.958 ( -6.692 10.311 4.668) 13.148 11.247 ( -2.000 3.755 -0.884) 4.345 12.701 ( 10.408 -1.132 -10.698) 14.969 13.328 ( -1.320 -4.066 -1.190) 4.437 13.698 ( -6.481 8.499 6.837) 12.688 14.964 ( 4.255 3.456 -0.806) 5.541 15.228 ( 2.813 2.494 0.595) 3.806 15.363 ( -0.754 -0.100 2.375) 2.494 16.056 ( -1.703 -11.973 -6.988) 13.967 16.248 ( -0.909 -16.575 4.075) 17.093 19.201 ( -2.802 11.849 4.071) 12.838 20.285 ( -8.868 0.428 -0.444) 8.889 20.521 ( 3.492 -9.440 0.231) 10.068 21.235 ( 7.132 -14.699 -6.426) 17.556 22.411 ( -1.034 9.559 4.299) 10.533 22.622 ( 2.259 3.994 2.635) 5.291 22.906 ( 0.463 -3.991 0.187) 4.022 23.541 ( -4.749 -12.204 -3.953) 13.679 ======================= Grid point 17 (15/156) ======================= q-point: ( 0.00 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.431 ( -14.667 8.868 -6.610) 18.370 3.777 ( -8.434 18.906 -3.288) 20.962 4.351 ( -0.163 3.608 -7.785) 8.582 4.896 ( -6.712 2.501 -5.845) 9.245 4.963 ( -1.150 -9.860 2.754) 10.302 5.555 ( -0.707 -3.049 7.234) 7.882 5.902 ( 15.019 1.714 6.334) 16.390 5.962 ( 15.266 -9.753 8.029) 19.815 6.431 ( -7.975 11.514 26.074) 29.597 6.871 ( -15.027 0.796 0.455) 15.055 7.133 ( -0.345 -4.687 -5.831) 7.489 7.537 ( -10.784 15.427 -7.316) 20.195 8.296 ( -0.158 -0.189 1.714) 1.732 8.498 ( -2.245 5.353 16.527) 17.517 8.643 ( -1.213 -2.534 -10.058) 10.443 8.967 ( 5.621 -13.625 -8.458) 16.993 10.328 ( -1.808 17.937 -9.611) 20.430 10.806 ( 5.794 -0.149 3.574) 6.810 11.129 ( -4.909 -5.869 1.506) 7.798 11.354 ( 2.322 9.286 2.192) 9.819 12.408 ( -1.589 -1.235 -15.719) 15.848 13.027 ( -15.369 -5.791 1.695) 16.511 13.971 ( 7.788 9.384 4.913) 13.147 14.942 ( -1.505 2.508 -8.756) 9.232 15.134 ( -9.033 2.884 -1.381) 9.582 15.388 ( 1.617 0.873 12.010) 12.150 16.116 ( 11.141 -15.286 -8.088) 20.572 16.711 ( 16.298 -16.413 3.627) 23.413 19.399 ( 0.018 0.091 5.799) 5.800 19.990 ( -5.367 5.624 5.407) 9.469 20.650 ( 6.005 -5.443 0.507) 8.120 21.319 ( 7.714 -9.125 -10.147) 15.676 22.454 ( -0.906 5.100 -1.365) 5.357 22.861 ( 0.417 -3.151 -2.596) 4.104 22.917 ( 3.384 3.255 0.651) 4.740 23.349 ( -2.489 -3.777 7.874) 9.081 ======================= Grid point 18 (16/156) ======================= q-point: ( 0.00 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( -12.822 18.409 -16.462) 27.826 3.002 ( -10.367 25.488 -21.690) 35.037 4.505 ( 2.449 -6.898 -1.082) 7.400 4.825 ( 11.429 25.476 -3.795) 28.179 4.993 ( 2.871 5.025 8.882) 10.602 5.398 ( -12.218 19.902 -6.577) 24.261 6.065 ( -0.675 22.560 8.672) 24.179 6.305 ( -9.561 18.646 8.316) 22.545 6.780 ( 2.290 -10.989 -1.832) 11.374 6.875 ( 0.747 -0.404 15.365) 15.388 7.134 ( 2.429 0.481 14.263) 14.476 7.536 ( 12.844 -9.600 3.362) 16.384 8.102 ( -9.228 -7.381 -0.107) 11.817 8.544 ( 8.620 -12.612 -4.439) 15.908 8.632 ( -4.743 -4.507 1.924) 6.820 9.107 ( -1.465 -4.393 6.526) 8.002 9.694 ( -13.179 0.855 -20.221) 24.152 10.890 ( -4.671 -14.177 1.071) 14.965 11.120 ( 3.121 -4.939 3.650) 6.889 11.263 ( -3.255 -3.160 -5.089) 6.818 12.253 ( -0.127 15.859 -12.223) 20.023 12.695 ( 5.345 1.330 8.166) 9.850 14.271 ( 1.077 9.657 9.766) 13.776 14.483 ( -8.401 -0.859 -10.310) 13.327 14.861 ( -1.485 7.307 -5.705) 9.388 15.747 ( 1.950 -8.501 11.532) 14.459 16.286 ( 5.496 -13.204 -17.075) 22.274 17.477 ( 13.131 -15.522 2.859) 20.532 19.201 ( -2.194 -9.061 -1.226) 9.403 20.025 ( -2.533 3.836 7.556) 8.845 21.065 ( 3.235 -3.238 0.593) 4.615 21.507 ( 6.715 -2.511 -4.595) 8.515 22.297 ( -0.624 0.676 0.713) 1.164 22.695 ( -3.358 -2.566 -2.664) 4.996 22.961 ( 1.007 3.406 -2.943) 4.612 23.652 ( 1.360 8.559 15.807) 18.026 ======================= Grid point 19 (17/156) ======================= q-point: ( 0.00 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( 16.147 29.134 -13.450) 35.922 2.795 ( 21.258 27.422 -8.135) 35.638 4.367 ( -9.607 32.989 -6.757) 35.017 4.483 ( -5.628 -5.468 2.815) 8.337 5.371 ( 12.569 17.401 1.720) 21.534 5.479 ( -1.463 9.891 2.683) 10.352 6.179 ( -0.579 7.839 4.559) 9.087 6.517 ( -3.549 -0.883 8.234) 9.010 6.619 ( 3.990 20.904 2.150) 21.389 7.232 ( 8.715 -0.454 27.012) 28.387 7.268 ( -12.523 -17.215 0.886) 21.306 7.718 ( -0.063 1.231 2.160) 2.487 7.907 ( 1.197 -11.545 -11.175) 16.112 8.567 ( 5.220 -19.983 -12.576) 24.181 8.627 ( -11.279 -6.573 -19.700) 23.633 8.989 ( -1.400 -9.394 -2.253) 9.761 9.145 ( 9.224 -3.364 10.476) 14.358 11.024 ( 8.619 -8.439 -0.939) 12.099 11.121 ( 1.724 3.824 2.709) 4.993 11.278 ( 0.521 -2.912 4.643) 5.505 11.763 ( -9.693 14.634 -9.348) 19.887 13.440 ( 11.032 12.159 6.734) 17.745 14.143 ( -1.887 -3.046 5.903) 6.905 14.466 ( 0.435 1.913 -0.477) 2.019 14.822 ( 4.040 8.433 1.299) 9.441 15.746 ( -2.760 -9.371 -22.515) 24.543 15.955 ( -4.997 -6.960 4.448) 9.654 17.570 ( -11.136 -14.953 1.889) 18.740 19.657 ( 19.894 -11.079 4.231) 23.161 20.079 ( -1.289 2.493 6.538) 7.115 20.739 ( -15.278 6.839 -1.207) 16.783 21.204 ( -9.754 -11.810 -8.885) 17.708 22.528 ( 3.426 1.707 -0.489) 3.859 22.698 ( 2.222 -1.122 3.104) 3.978 22.896 ( -1.349 4.358 -2.733) 5.318 23.876 ( -3.759 0.283 10.703) 11.348 ======================= Grid point 20 (18/156) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.690 ( 4.411 13.971 0.000) 14.651 4.088 ( 0.328 5.398 0.000) 5.408 4.261 ( 5.350 8.389 0.000) 9.949 4.634 ( -8.465 -0.642 -0.000) 8.489 4.797 ( -3.312 -16.179 -0.000) 16.514 5.335 ( -8.727 -2.086 -0.000) 8.973 5.567 ( -2.033 -5.544 -0.000) 5.905 5.854 ( -11.241 -16.441 -0.000) 19.916 6.791 ( -7.965 10.657 0.000) 13.305 7.057 ( 3.662 -0.005 0.000) 3.662 7.802 ( -6.269 8.428 0.000) 10.504 7.873 ( 9.592 -5.214 -0.000) 10.918 8.142 ( 7.265 2.890 0.000) 7.818 8.295 ( 12.823 -11.454 -0.000) 17.194 8.491 ( 5.937 12.942 0.000) 14.238 9.205 ( -6.436 -7.628 -0.000) 9.980 10.386 ( 17.405 12.479 0.000) 21.417 10.959 ( -1.121 11.714 0.000) 11.768 11.056 ( -7.183 -6.693 -0.000) 9.818 11.392 ( -2.928 3.970 0.000) 4.932 12.364 ( 23.129 2.083 0.000) 23.223 13.540 ( -18.764 -8.881 -0.000) 20.759 14.095 ( -4.198 26.851 0.000) 27.177 14.634 ( 13.454 -12.947 -0.000) 18.672 15.242 ( 1.851 4.094 0.000) 4.493 15.341 ( -2.459 -3.552 -0.000) 4.320 15.872 ( 7.017 -7.752 -0.000) 10.456 16.184 ( -18.054 -8.228 -0.000) 19.841 19.630 ( -12.384 15.312 0.000) 19.693 20.119 ( -1.253 -18.156 -0.000) 18.199 20.607 ( -4.204 9.237 0.000) 10.149 20.724 ( 13.970 -15.216 -0.000) 20.656 22.643 ( -0.057 2.966 0.000) 2.967 22.651 ( -1.858 10.685 0.000) 10.845 22.847 ( -1.208 -1.047 -0.000) 1.598 23.402 ( -5.810 -14.850 -0.000) 15.946 ======================= Grid point 21 (19/156) ======================= q-point: ( 0.00 -0.80 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.910 ( -3.543 11.200 -4.137) 12.454 4.075 ( 5.793 8.685 1.351) 10.526 4.343 ( 11.886 -12.758 5.160) 18.185 4.497 ( 0.762 -11.019 -2.263) 11.275 5.137 ( -9.958 -7.995 -6.712) 14.427 5.363 ( 18.306 4.548 5.823) 19.741 5.462 ( 4.339 -4.383 4.076) 7.393 5.522 ( -4.340 -1.615 5.034) 6.840 6.580 ( -8.998 20.300 12.213) 25.342 7.164 ( -3.274 -2.363 2.175) 4.587 7.269 ( -12.494 8.328 -2.835) 15.280 8.124 ( -5.806 3.608 -1.368) 6.971 8.264 ( 3.225 -2.664 3.841) 5.679 8.461 ( -1.421 3.690 0.488) 3.984 8.687 ( 5.506 -5.526 -11.563) 13.948 8.870 ( -6.012 -8.043 -8.181) 12.952 10.585 ( 2.204 10.306 0.379) 10.546 10.801 ( -1.344 0.117 1.879) 2.313 11.186 ( -7.457 -1.169 -0.461) 7.562 11.417 ( 8.097 8.027 2.650) 11.706 12.634 ( -17.019 -8.066 -3.968) 19.247 13.142 ( 6.945 3.595 -0.279) 7.826 14.005 ( 1.852 13.470 -0.022) 13.597 15.091 ( 5.302 -7.210 -9.244) 12.867 15.183 ( -5.546 2.759 5.762) 8.460 15.422 ( 7.378 -6.870 3.815) 10.779 15.605 ( -8.386 -4.549 2.658) 9.904 16.218 ( 11.335 -6.424 -1.601) 13.127 19.443 ( 0.665 12.629 1.941) 12.794 20.117 ( -0.289 -2.424 0.527) 2.498 20.411 ( -3.290 -3.948 1.347) 5.313 21.080 ( 5.803 -13.534 -3.326) 15.097 22.654 ( 1.617 9.792 -1.986) 10.121 22.781 ( 3.699 0.537 2.147) 4.310 22.855 ( 3.412 1.974 0.639) 3.993 23.191 ( -3.372 -11.710 -0.330) 12.191 ======================= Grid point 22 (20/156) ======================= q-point: ( 0.00 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.392 ( -16.143 12.556 -14.949) 25.333 3.929 ( -12.299 13.715 -6.439) 19.515 4.561 ( 1.685 1.042 -8.688) 8.911 4.811 ( 5.337 2.076 6.997) 9.041 4.928 ( 1.469 2.204 5.264) 5.893 5.550 ( 10.425 6.481 3.773) 12.842 6.070 ( 17.010 -14.025 9.581) 24.038 6.284 ( 16.062 0.072 -1.477) 16.130 6.642 ( -0.666 11.989 12.503) 17.336 6.821 ( -4.246 13.362 9.130) 16.731 7.022 ( -0.911 0.084 -7.307) 7.364 7.615 ( -15.025 17.700 -5.265) 23.807 8.053 ( -8.865 -9.277 5.520) 13.969 8.385 ( -6.126 -14.508 -9.319) 18.299 8.622 ( -1.715 5.975 12.020) 13.533 8.821 ( 6.471 -10.034 -2.546) 12.208 10.533 ( -16.240 11.579 -11.955) 23.253 10.624 ( -10.638 -19.319 5.219) 22.664 10.919 ( 1.762 0.373 3.280) 3.742 11.390 ( -2.974 -2.803 -8.112) 9.083 12.317 ( 4.276 -4.129 6.589) 8.874 12.976 ( -5.404 15.166 -12.234) 20.221 14.224 ( 6.491 1.556 -0.444) 6.689 14.778 ( -8.882 -4.474 -3.305) 10.481 15.125 ( -3.962 5.690 0.188) 6.936 15.409 ( -0.643 0.592 6.681) 6.738 16.029 ( 10.062 -12.554 1.700) 16.178 16.845 ( 19.077 -7.170 -0.590) 20.389 19.283 ( -6.982 -0.211 -7.196) 10.029 20.044 ( -4.923 6.672 9.144) 12.344 20.790 ( 14.640 -4.188 0.317) 15.230 21.229 ( 4.613 -9.462 3.734) 11.169 22.526 ( -3.663 4.387 -8.281) 10.062 22.749 ( -1.778 -3.812 -3.804) 5.671 23.008 ( 2.076 -0.213 -1.681) 2.679 23.443 ( 7.494 5.457 10.830) 14.256 ======================= Grid point 24 (21/156) ======================= q-point: ( 0.00 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.468 ( 20.775 23.853 -5.272) 32.068 3.654 ( 9.311 25.200 -4.316) 27.209 4.250 ( -0.963 -4.074 4.910) 6.452 4.699 ( -2.036 8.954 -5.761) 10.840 5.401 ( -16.343 -0.494 1.751) 16.444 5.722 ( -8.971 -14.325 0.565) 16.912 5.988 ( -0.530 15.263 3.113) 15.586 6.269 ( -21.683 -25.383 -2.034) 33.445 6.839 ( 2.075 2.626 7.301) 8.032 7.259 ( 4.553 12.881 5.119) 14.590 7.363 ( -7.807 -4.367 7.128) 11.438 7.452 ( 8.897 0.066 11.439) 14.492 7.788 ( 7.313 -1.031 -17.974) 19.432 8.288 ( 5.856 -8.167 -0.707) 10.074 8.476 ( -8.707 -5.645 -9.225) 13.884 9.164 ( 3.802 -8.545 8.502) 12.639 9.408 ( 30.165 18.264 -14.535) 38.142 11.039 ( 5.642 -3.941 2.271) 7.247 11.171 ( 2.115 -9.449 1.737) 9.837 11.340 ( 4.709 7.171 7.663) 11.503 11.866 ( -5.044 10.879 -8.536) 14.719 13.836 ( 10.826 -5.175 11.753) 16.796 14.014 ( -10.028 9.760 8.993) 16.634 14.505 ( 3.036 0.644 -10.117) 10.582 15.075 ( 5.923 5.790 -2.543) 8.665 15.576 ( -2.595 -3.493 -13.736) 14.409 15.711 ( -3.905 -6.626 5.078) 9.216 16.977 ( -19.120 -10.558 2.061) 21.938 19.786 ( 13.048 -12.028 13.928) 22.559 20.091 ( -0.836 2.940 2.228) 3.782 20.656 ( -11.502 2.794 -16.623) 20.407 20.780 ( -6.966 -2.476 -0.119) 7.394 22.616 ( 0.425 3.384 3.079) 4.595 22.731 ( 2.238 0.165 -1.298) 2.592 22.933 ( -2.623 3.070 -0.649) 4.090 23.670 ( -8.376 -7.500 3.760) 11.855 ======================= Grid point 25 (22/156) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.970 ( -4.247 -5.638 -0.000) 7.059 3.970 ( 4.247 5.638 0.000) 7.059 4.273 ( 0.389 -12.772 -0.000) 12.778 4.273 ( -0.389 12.772 0.000) 12.778 5.183 ( -17.130 -17.892 -0.000) 24.770 5.183 ( 17.130 17.892 0.000) 24.770 5.440 ( -2.422 -4.616 -0.000) 5.213 5.440 ( 2.422 4.616 0.000) 5.213 6.989 ( 2.526 -13.485 -0.000) 13.719 6.989 ( -2.526 13.485 0.000) 13.719 7.792 ( 10.797 -15.410 -0.000) 18.816 7.792 ( -10.797 15.410 0.000) 18.816 8.342 ( 2.967 -4.432 -0.000) 5.333 8.342 ( -2.967 4.432 0.000) 5.333 8.880 ( -5.441 -11.245 -0.000) 12.493 8.880 ( 5.441 11.245 0.000) 12.493 10.765 ( -5.014 -8.685 -0.000) 10.029 10.765 ( 5.014 8.685 0.000) 10.029 11.283 ( -8.794 -4.191 -0.000) 9.741 11.283 ( 8.794 4.191 0.000) 9.741 12.931 ( -22.025 -7.868 -0.000) 23.388 12.931 ( 22.025 7.868 0.000) 23.388 14.508 ( 9.874 -24.550 -0.000) 26.461 14.508 ( -9.874 24.550 0.000) 26.461 15.271 ( 1.201 -1.475 -0.000) 1.902 15.271 ( -1.201 1.475 0.000) 1.902 15.888 ( 10.222 -6.085 -0.000) 11.896 15.888 ( -10.222 6.085 0.000) 11.896 19.782 ( 4.206 -16.374 -0.000) 16.906 19.782 ( -4.206 16.374 0.000) 16.906 20.688 ( 8.718 -11.215 -0.000) 14.205 20.688 ( -8.718 11.215 0.000) 14.205 22.724 ( -1.821 -2.017 -0.000) 2.718 22.724 ( 1.821 2.017 0.000) 2.718 22.986 ( -3.221 -14.603 -0.000) 14.954 22.986 ( 3.221 14.603 0.000) 14.954 ======================= Grid point 27 (23/156) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.071 ( -4.553 -5.295 -4.774) 8.459 4.157 ( 2.790 -5.536 -6.393) 8.905 4.378 ( -2.624 -14.665 3.770) 15.367 4.644 ( 5.116 8.173 8.473) 12.836 4.787 ( 11.207 7.900 0.459) 13.719 5.411 ( 7.842 4.893 1.233) 9.325 5.603 ( 6.434 1.059 3.509) 7.405 5.909 ( 16.199 3.491 -1.828) 16.671 6.795 ( -3.847 12.234 4.085) 13.459 7.015 ( -2.478 3.363 2.330) 4.783 7.375 ( -7.194 14.307 -6.257) 17.192 7.969 ( -12.925 -10.385 0.320) 16.583 8.111 ( -9.011 -5.680 4.813) 11.689 8.277 ( 7.397 -6.477 7.722) 12.502 8.481 ( -10.030 -9.811 -7.357) 15.843 8.943 ( 1.438 13.366 -9.318) 16.357 10.392 ( -19.066 -19.263 7.522) 28.127 10.913 ( 3.358 9.039 -1.456) 9.751 11.088 ( -2.248 3.766 -2.706) 5.153 11.525 ( -0.468 -3.415 -3.484) 4.901 12.103 ( -11.844 -7.957 4.759) 15.042 13.533 ( 5.828 15.861 -6.314) 18.039 14.165 ( 0.354 -1.271 -7.850) 7.960 14.736 ( -4.611 -14.899 4.302) 16.178 15.240 ( -3.753 1.900 2.542) 4.914 15.441 ( 9.241 -3.798 8.442) 13.080 15.573 ( -4.335 7.617 -1.819) 8.951 16.452 ( 18.075 1.026 -2.014) 18.216 19.680 ( -1.335 10.397 -10.625) 14.925 20.216 ( -12.571 8.130 5.513) 15.953 20.284 ( 17.585 -5.680 5.477) 19.274 20.902 ( 1.926 -11.459 1.288) 11.691 22.696 ( 0.156 -3.829 -3.226) 5.009 22.792 ( -1.228 -0.589 -0.541) 1.466 22.938 ( 2.077 -4.444 -0.639) 4.947 23.268 ( 9.970 11.282 2.041) 15.194 ======================= Grid point 28 (24/156) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.202 ( -16.462 0.946 -8.480) 18.542 3.802 ( -10.800 -1.770 -2.733) 11.280 4.297 ( -3.744 -10.745 9.104) 14.572 4.881 ( -1.010 3.525 -1.840) 4.103 5.422 ( 12.703 19.068 1.883) 22.989 5.941 ( 1.342 -13.356 3.823) 13.957 6.309 ( 21.328 17.406 -1.307) 27.560 6.446 ( 21.095 -19.091 -11.066) 30.527 6.719 ( -7.263 2.304 11.016) 13.394 7.054 ( 2.271 -0.575 -3.374) 4.107 7.289 ( 8.711 13.016 -2.835) 15.916 7.626 ( -11.594 3.783 -4.508) 13.002 7.741 ( -6.570 4.728 6.621) 10.458 7.923 ( -5.555 -10.207 -1.615) 11.732 8.634 ( -1.254 2.662 4.004) 4.969 8.842 ( 0.109 1.947 1.010) 2.196 9.675 ( -19.482 -22.436 11.872) 31.998 10.578 ( -10.950 10.404 -6.343) 16.383 10.963 ( 0.232 3.392 -0.289) 3.412 11.218 ( -3.027 -5.417 -8.427) 10.465 12.419 ( 12.425 -7.050 9.208) 16.996 13.139 ( -10.616 13.012 -12.864) 21.154 14.316 ( 10.016 -9.133 -8.001) 15.740 14.540 ( -8.751 1.235 8.828) 12.491 15.102 ( -4.143 -0.084 3.210) 5.242 15.433 ( -1.010 4.678 -1.613) 5.050 16.037 ( 7.388 -4.517 5.882) 10.468 17.134 ( 12.684 1.708 -1.736) 12.916 19.173 ( -7.664 4.031 -6.931) 11.092 20.048 ( -2.353 1.645 1.901) 3.443 20.857 ( 0.900 -2.950 -0.601) 3.142 21.330 ( 16.120 -3.154 10.499) 19.494 22.483 ( -7.314 2.859 -4.848) 9.229 22.651 ( -1.235 -2.172 -3.261) 4.108 23.038 ( 1.776 -1.042 -0.136) 2.064 23.707 ( 6.457 3.506 1.879) 7.584 ======================= Grid point 51 (25/156) ======================= q-point: ( 0.05 -0.05 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -35.657 0.009 -0.000) 35.657 0.814 ( -38.422 20.643 0.000) 43.616 1.674 ( -80.427 -10.596 -0.000) 81.122 4.824 ( -2.798 2.923 0.000) 4.046 5.093 ( 8.013 -1.937 -0.000) 8.244 5.254 ( -5.391 4.077 0.000) 6.759 5.442 ( -9.377 -1.702 -0.000) 9.530 5.810 ( -11.299 1.839 0.000) 11.448 7.240 ( -3.603 -5.592 -0.000) 6.652 7.280 ( 8.737 -3.256 -0.000) 9.324 7.383 ( -1.020 3.282 0.000) 3.437 8.245 ( 11.228 0.135 0.000) 11.228 8.409 ( -1.174 -0.123 -0.000) 1.180 8.473 ( 10.500 -7.545 -0.000) 12.930 8.944 ( 3.375 23.484 0.000) 23.726 9.424 ( -5.250 -15.517 -0.000) 16.382 9.633 ( 18.462 -0.158 0.000) 18.462 11.009 ( -0.444 -2.887 -0.000) 2.921 11.086 ( -1.399 0.624 0.000) 1.531 11.113 ( -8.128 2.798 0.000) 8.597 11.565 ( -0.495 -7.684 -0.000) 7.700 12.809 ( -6.273 8.746 0.000) 10.763 14.294 ( 3.224 1.067 0.000) 3.396 14.360 ( -3.087 -1.006 -0.000) 3.247 14.967 ( 0.248 -0.071 -0.000) 0.258 15.388 ( -1.363 -1.328 -0.000) 1.903 16.329 ( 4.033 -0.030 0.000) 4.033 18.272 ( 9.425 0.083 0.000) 9.426 19.720 ( 7.750 9.358 0.000) 12.151 20.083 ( -0.695 -0.065 -0.000) 0.698 20.745 ( -6.867 -8.761 -0.000) 11.131 21.844 ( 13.840 -0.467 0.000) 13.848 22.395 ( -0.778 1.261 0.000) 1.482 22.531 ( -10.008 -0.725 -0.000) 10.034 22.880 ( 3.297 0.169 0.000) 3.301 24.037 ( -1.284 -0.058 -0.000) 1.285 ======================= Grid point 52 (26/156) ======================= q-point: ( 0.05 0.15 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 27.959 -10.964 22.235) 37.367 1.208 ( 29.839 0.592 30.228) 42.479 2.052 ( 59.411 5.593 40.404) 72.065 4.831 ( 2.420 -2.359 0.588) 3.430 5.026 ( -6.620 2.796 -7.332) 10.267 5.159 ( 5.876 -3.618 -9.413) 11.671 5.412 ( 7.159 0.565 -2.812) 7.713 5.836 ( 11.024 -1.813 2.114) 11.370 6.443 ( 31.866 3.674 -32.781) 45.864 7.237 ( -3.530 4.839 -9.552) 11.275 7.283 ( 1.092 -4.471 -9.956) 10.968 8.205 ( -10.621 -0.674 0.011) 10.642 8.409 ( -7.367 5.690 -7.149) 11.737 8.726 ( 8.608 -9.302 -1.278) 12.738 8.973 ( 5.005 2.199 -8.306) 9.943 9.581 ( -24.407 -1.869 2.866) 24.646 9.875 ( -39.309 3.892 31.676) 50.633 11.047 ( -1.998 1.501 4.932) 5.529 11.139 ( 2.764 -0.077 5.521) 6.175 11.296 ( 2.729 -2.892 16.711) 17.177 11.547 ( 1.297 7.483 -1.231) 7.693 12.785 ( 5.848 -9.039 -2.169) 10.982 13.720 ( 43.553 3.386 -44.762) 62.546 14.368 ( -2.506 -1.191 7.159) 7.678 14.437 ( 4.266 0.791 6.362) 7.701 16.249 ( -3.850 0.060 -8.480) 9.313 16.977 ( -67.394 0.860 68.691) 96.235 18.251 ( -9.341 -0.178 -1.998) 9.554 19.708 ( -7.771 -9.147 -1.240) 12.066 20.011 ( 2.944 1.322 -6.771) 7.500 20.781 ( 6.036 8.147 3.660) 10.779 21.876 ( -13.436 0.270 3.243) 13.825 22.400 ( 0.897 -3.961 -0.008) 4.061 22.505 ( 10.145 2.806 -3.600) 11.125 22.851 ( 1.080 -0.237 -4.401) 4.538 23.263 ( 46.170 -0.099 -45.363) 64.726 ======================= Grid point 53 (27/156) ======================= q-point: ( 0.05 0.35 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 20.435 -9.661 13.605) 26.383 2.902 ( 26.485 -1.074 21.556) 34.165 4.477 ( -10.818 4.037 -1.232) 11.612 4.917 ( 26.708 14.201 7.379) 31.136 5.080 ( 18.706 -12.105 -0.752) 22.294 5.280 ( 21.686 -5.093 -4.252) 22.678 6.025 ( 23.733 4.058 -10.420) 26.235 6.316 ( 9.579 -9.745 -11.852) 18.089 6.633 ( -16.119 10.441 -6.976) 20.433 6.876 ( 15.739 5.301 -5.177) 17.396 7.223 ( 2.308 -6.830 -6.891) 9.973 7.800 ( -8.466 -4.937 0.867) 9.839 7.934 ( -9.592 1.094 -0.945) 9.700 8.592 ( -11.748 -2.887 -3.267) 12.531 8.699 ( -11.035 -4.531 -3.033) 12.308 9.032 ( -4.702 5.251 -6.271) 9.434 9.418 ( -8.141 11.890 25.222) 29.048 10.859 ( -10.869 -2.252 -3.204) 11.553 11.159 ( -3.345 -0.285 -1.663) 3.746 11.188 ( -6.117 3.102 0.302) 6.865 12.161 ( 12.679 6.328 15.725) 21.168 12.985 ( 3.983 -18.349 -6.540) 19.883 14.139 ( 12.501 11.690 -13.372) 21.720 14.458 ( -1.509 -4.403 11.320) 12.239 14.856 ( 7.411 -0.870 6.496) 9.893 15.762 ( -8.516 0.367 -12.969) 15.519 16.330 ( -16.730 1.578 20.730) 26.686 17.637 ( -15.014 -1.503 -1.836) 15.200 19.275 ( -9.081 -9.270 -1.992) 13.129 19.987 ( 2.834 1.124 -6.233) 6.939 20.978 ( -1.618 10.121 -1.647) 10.381 21.560 ( -4.047 2.713 9.817) 10.959 22.379 ( -0.355 -8.510 -3.915) 9.374 22.624 ( 0.499 3.260 -0.876) 3.413 22.973 ( 3.315 0.012 3.228) 4.627 23.664 ( 10.205 0.193 -14.217) 17.502 ======================= Grid point 54 (28/156) ======================= q-point: ( 0.05 -0.45 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.976 ( -4.365 4.292 0.602) 6.151 3.662 ( -1.784 1.532 -0.676) 2.447 4.258 ( -6.888 0.042 -10.302) 12.393 4.870 ( 5.477 -0.690 5.910) 8.087 5.603 ( 7.814 -2.769 -0.803) 8.329 5.877 ( -2.042 3.514 -4.459) 6.034 6.534 ( 5.650 9.392 -6.102) 12.544 6.649 ( 9.254 -7.098 7.142) 13.676 6.872 ( -10.473 -9.077 3.255) 14.236 7.046 ( 13.277 2.833 -2.674) 13.837 7.217 ( -8.521 2.139 6.172) 10.737 7.496 ( -6.407 5.144 -3.082) 8.776 7.718 ( -2.589 -4.109 1.181) 4.998 7.914 ( 2.094 -1.770 4.384) 5.171 8.604 ( 4.605 0.531 -0.867) 4.716 8.848 ( 2.212 -0.983 -4.044) 4.713 9.480 ( -11.278 -3.997 -6.925) 13.825 10.425 ( 5.188 3.807 0.570) 6.461 10.975 ( 1.787 -1.007 2.416) 3.170 11.149 ( -0.818 3.549 1.548) 3.957 12.694 ( -10.702 -13.693 -7.094) 18.771 12.905 ( 7.212 11.943 15.149) 20.594 14.355 ( 4.603 9.283 -9.465) 14.034 14.510 ( -6.041 -8.767 6.911) 12.693 15.053 ( -1.854 0.232 -3.785) 4.221 15.416 ( 5.049 0.670 0.185) 5.097 16.144 ( -4.062 -2.816 -0.162) 4.945 17.267 ( 0.527 0.456 0.895) 1.134 19.052 ( 0.773 3.598 -0.763) 3.759 20.035 ( 1.665 -1.155 0.982) 2.252 20.859 ( 0.545 0.172 -0.006) 0.572 21.587 ( -2.641 -6.156 -1.816) 6.941 22.343 ( 1.221 4.044 0.306) 4.235 22.619 ( -0.019 2.052 -0.561) 2.128 23.058 ( -0.960 -0.041 0.232) 0.989 23.794 ( 2.734 -1.727 1.690) 3.649 ======================= Grid point 55 (29/156) ======================= q-point: ( 0.05 -0.25 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -25.949 13.010 -6.849) 29.825 2.466 ( -31.453 4.389 -21.535) 38.371 4.521 ( 11.933 -2.037 3.184) 12.518 4.754 ( -47.031 -20.520 -6.852) 51.768 5.086 ( -16.749 13.402 -0.062) 21.451 5.409 ( -8.792 9.084 5.894) 13.948 6.184 ( -21.270 -2.378 5.437) 22.082 6.478 ( -13.827 9.757 5.770) 17.880 6.654 ( 8.147 -6.411 0.532) 10.381 7.185 ( -1.005 -1.371 19.973) 20.045 7.402 ( -1.371 -5.463 11.473) 12.781 7.728 ( 8.598 2.392 -5.554) 10.512 7.868 ( 17.230 -2.123 -6.281) 18.461 8.423 ( 19.380 3.407 -18.896) 27.281 8.795 ( 3.636 13.352 2.808) 14.120 8.958 ( 6.709 -12.137 -8.602) 16.319 9.243 ( 9.977 -12.509 4.142) 16.528 10.895 ( 9.614 3.575 0.143) 10.258 11.116 ( -0.340 -1.351 -2.360) 2.741 11.247 ( 2.970 2.317 3.792) 5.345 11.987 ( -16.174 -10.920 -4.242) 19.971 13.123 ( -8.217 17.616 7.228) 20.738 14.175 ( 4.275 -0.369 -9.248) 10.195 14.502 ( -6.822 -4.078 13.505) 15.670 14.770 ( -7.358 0.916 0.406) 7.426 15.783 ( 11.542 -0.460 -18.169) 21.531 16.046 ( 4.316 -3.161 -0.333) 5.360 17.676 ( 14.964 1.174 1.884) 15.127 19.299 ( 9.843 12.787 0.713) 16.152 20.092 ( -1.690 -1.167 4.310) 4.775 21.038 ( -1.197 -10.609 4.630) 11.637 21.367 ( 5.568 -5.274 -9.989) 12.593 22.415 ( 0.538 6.173 0.248) 6.201 22.665 ( 1.938 1.125 2.889) 3.656 22.912 ( -4.641 -0.242 -2.912) 5.485 23.934 ( -2.949 -1.557 12.348) 12.790 ======================= Grid point 57 (30/156) ======================= q-point: ( 0.05 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 21.237 23.094 12.475) 33.764 1.964 ( 28.108 16.212 25.901) 41.518 3.673 ( 59.224 11.833 12.614) 61.698 4.727 ( -7.930 -8.357 -5.450) 12.745 5.004 ( 5.389 11.124 2.024) 12.525 5.177 ( -1.281 -0.529 -4.075) 4.304 5.838 ( 18.065 7.621 -8.945) 21.551 6.050 ( 14.739 3.743 0.453) 15.214 6.889 ( -2.552 -3.188 -9.340) 10.194 7.295 ( -4.181 5.375 -10.480) 12.498 7.382 ( 12.153 8.501 -23.770) 28.018 7.833 ( -14.523 -11.902 -0.495) 18.783 8.267 ( -11.326 -3.800 1.569) 12.049 8.595 ( -4.911 -5.065 5.499) 8.945 8.823 ( -17.960 2.553 19.058) 26.311 9.135 ( -4.259 -4.461 0.438) 6.183 9.574 ( -1.888 0.920 -1.409) 2.529 11.058 ( -4.524 3.345 1.709) 5.880 11.198 ( 0.844 -3.201 1.006) 3.459 11.231 ( -3.377 3.983 5.776) 7.787 11.754 ( 16.411 -6.189 4.466) 18.099 12.804 ( 0.978 6.483 -5.779) 8.739 14.265 ( -1.251 -1.689 2.010) 2.908 14.413 ( 7.986 6.753 -12.170) 16.047 14.623 ( 9.769 4.065 -3.684) 11.204 16.025 ( -16.178 -7.447 26.934) 32.290 16.139 ( -5.251 -4.334 3.511) 7.661 17.868 ( -15.955 -10.793 -2.415) 19.414 19.453 ( -14.790 6.215 -1.052) 16.078 20.081 ( 2.918 1.614 -5.254) 6.223 20.983 ( 11.829 -6.915 1.153) 13.750 21.516 ( -11.567 -8.136 5.572) 15.200 22.374 ( -1.477 1.435 -3.271) 3.865 22.718 ( 0.145 3.375 -0.807) 3.473 22.817 ( 2.432 -1.519 3.358) 4.415 23.823 ( 8.375 1.922 -20.819) 22.522 ======================= Grid point 58 (31/156) ======================= q-point: ( 0.05 0.35 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( 15.118 10.423 12.486) 22.206 3.493 ( 20.917 9.659 13.675) 26.792 4.346 ( -7.352 3.461 8.295) 11.612 5.019 ( -0.856 0.861 -6.447) 6.561 5.174 ( 11.449 -13.146 -6.311) 18.540 5.901 ( 22.651 -16.979 -0.133) 28.308 6.378 ( -19.077 2.770 1.731) 19.355 6.533 ( 11.882 -3.942 -7.197) 14.441 6.731 ( 20.513 9.306 -1.325) 22.564 6.923 ( -3.983 -14.827 -10.094) 18.374 7.075 ( 8.708 -1.587 -3.560) 9.541 7.411 ( -5.087 1.221 -1.730) 5.510 7.950 ( -7.768 10.183 1.852) 12.940 8.177 ( -16.794 -2.749 3.954) 17.471 8.676 ( 2.798 3.807 -2.433) 5.314 8.966 ( -7.490 0.927 -6.038) 9.665 9.778 ( 5.238 24.568 18.000) 30.904 10.572 ( -14.462 1.688 -2.923) 14.851 11.034 ( -3.437 -0.904 -5.341) 6.416 11.184 ( -4.333 2.219 5.631) 7.443 12.593 ( 15.032 -1.087 4.974) 15.871 12.725 ( 2.576 -3.061 -9.343) 10.164 14.298 ( -4.662 -6.458 9.403) 12.323 14.566 ( 6.621 9.744 -5.090) 12.834 14.996 ( 5.743 2.430 5.048) 8.024 15.554 ( -9.215 -1.336 -4.997) 10.567 16.138 ( -2.391 -2.141 3.673) 4.878 17.212 ( -9.512 -13.907 -1.582) 16.922 19.064 ( -4.102 1.543 4.009) 5.940 20.089 ( 1.960 3.921 -5.376) 6.937 20.947 ( -6.372 -1.863 -0.161) 6.641 21.506 ( 1.048 -8.222 -3.017) 8.820 22.320 ( 1.642 1.793 3.893) 4.590 22.635 ( -2.981 0.891 3.745) 4.869 23.014 ( 1.809 -1.363 1.623) 2.786 23.766 ( 2.819 -3.531 -10.129) 11.091 ======================= Grid point 59 (32/156) ======================= q-point: ( 0.05 -0.45 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.087 ( -11.782 19.659 -1.641) 22.978 3.545 ( -21.559 10.296 -7.287) 24.979 4.233 ( 4.273 -0.902 -3.996) 5.919 4.925 ( -2.322 -4.418 -2.397) 5.537 5.538 ( -10.749 0.418 5.378) 12.026 5.903 ( -21.815 -10.537 7.524) 25.368 5.973 ( 10.753 -12.880 -2.868) 17.022 6.407 ( -11.165 -5.184 16.320) 20.442 6.775 ( -6.837 14.392 10.728) 19.208 6.925 ( 4.819 -11.037 -2.939) 12.397 7.265 ( -15.215 -2.639 -4.672) 16.133 7.633 ( 6.997 -6.961 2.367) 10.150 7.916 ( 8.339 7.568 -9.766) 14.906 8.165 ( 22.105 5.082 0.174) 22.682 8.708 ( 3.539 0.111 6.505) 7.406 8.898 ( 3.138 4.125 0.189) 5.186 9.324 ( -9.113 10.798 -23.046) 27.032 10.805 ( 10.644 11.839 5.771) 16.934 11.050 ( 2.892 -1.576 7.048) 7.780 11.130 ( -0.773 1.656 3.235) 3.715 12.241 ( -9.858 -8.988 -13.690) 19.115 13.344 ( 5.464 15.521 9.790) 19.147 14.087 ( -10.781 -12.887 8.187) 18.691 14.569 ( 0.806 6.585 -8.895) 11.096 15.047 ( -5.337 4.341 -5.092) 8.559 15.571 ( 8.109 -0.185 8.836) 11.995 16.029 ( 4.239 -6.965 -13.931) 16.142 17.261 ( 10.189 -12.010 2.403) 15.932 19.309 ( 8.880 10.379 8.729) 16.210 20.039 ( -2.244 1.338 2.115) 3.362 20.818 ( -1.936 -4.036 1.095) 4.608 21.307 ( 1.809 -14.760 -13.869) 20.334 22.530 ( 1.425 5.972 2.759) 6.731 22.617 ( -0.924 1.633 4.245) 4.641 23.007 ( -1.995 -1.864 -1.822) 3.283 23.731 ( -1.331 -5.007 4.705) 6.998 ======================= Grid point 60 (33/156) ======================= q-point: ( 0.05 -0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -28.180 17.275 -21.860) 39.628 2.170 ( -33.882 17.853 -8.460) 39.221 3.422 ( -49.597 14.846 -17.373) 54.609 4.693 ( 10.234 -8.232 5.828) 14.369 5.088 ( -10.859 10.133 -0.355) 14.856 5.331 ( -5.816 -2.544 5.562) 8.440 5.818 ( -18.358 10.979 8.814) 23.135 6.136 ( -20.317 -1.076 -2.131) 20.456 6.768 ( 10.142 -1.914 9.602) 14.097 7.175 ( -4.096 13.312 26.146) 29.624 7.433 ( -1.469 2.870 9.175) 9.725 7.837 ( 12.953 -11.470 -1.405) 17.358 8.154 ( 11.672 -0.964 -4.617) 12.589 8.759 ( 5.519 -9.869 -24.308) 26.809 9.019 ( 17.043 -5.085 -1.759) 17.872 9.145 ( 3.390 -11.985 1.085) 12.502 9.226 ( 11.584 16.219 3.363) 20.213 11.052 ( -0.046 4.076 -0.097) 4.078 11.192 ( 2.011 5.425 -1.321) 5.934 11.307 ( 3.639 -3.660 0.977) 5.253 11.502 ( -10.157 -3.978 -13.166) 17.098 13.148 ( -15.449 2.760 4.095) 16.219 14.176 ( -1.342 2.161 18.485) 18.660 14.433 ( -0.889 3.149 -5.431) 6.340 14.615 ( -11.361 4.660 5.130) 13.308 16.014 ( 17.649 -7.721 -37.360) 42.034 16.103 ( 6.818 -4.229 5.904) 9.962 17.885 ( 14.865 -10.714 1.999) 18.432 19.842 ( 4.419 12.126 1.768) 13.026 20.018 ( -2.518 -3.220 9.482) 10.326 20.638 ( -1.116 -7.629 -3.943) 8.660 21.481 ( 14.237 -8.405 -6.062) 17.609 22.477 ( -3.295 0.438 0.417) 3.351 22.699 ( -2.256 4.610 2.613) 5.759 22.826 ( -1.209 -1.884 -2.995) 3.739 23.807 ( -6.974 1.674 20.280) 21.510 ======================= Grid point 61 (34/156) ======================= q-point: ( 0.05 -0.05 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 18.751 32.839 0.000) 37.816 2.088 ( 20.212 35.482 0.000) 40.834 3.260 ( 16.683 54.573 0.000) 57.066 4.753 ( -8.174 -10.957 -0.000) 13.670 5.085 ( 9.822 11.572 0.000) 15.179 5.382 ( -4.637 4.957 0.000) 6.788 5.913 ( 14.421 19.241 0.000) 24.045 6.105 ( -2.988 19.715 0.000) 19.940 6.891 ( -5.673 -14.175 -0.000) 15.268 7.509 ( 14.848 3.170 0.000) 15.182 7.555 ( 6.174 3.167 0.000) 6.939 7.845 ( -4.916 -15.051 -0.000) 15.834 8.090 ( -4.452 -16.001 -0.000) 16.609 8.305 ( -7.798 -7.033 -0.000) 10.502 9.026 ( -12.042 -22.271 -0.000) 25.318 9.132 ( -13.685 -1.147 -0.000) 13.733 9.317 ( 17.536 -4.141 -0.000) 18.019 11.054 ( 4.272 2.671 0.000) 5.038 11.177 ( 10.046 -5.090 -0.000) 11.262 11.319 ( 2.063 4.474 0.000) 4.927 11.375 ( -13.440 7.922 0.000) 15.601 13.194 ( 4.381 16.105 0.000) 16.691 14.283 ( 5.204 -4.119 -0.000) 6.637 14.383 ( -4.224 4.292 0.000) 6.022 14.947 ( -0.006 -1.227 -0.000) 1.227 15.412 ( 1.550 0.485 0.000) 1.624 16.171 ( -3.545 -7.159 -0.000) 7.989 17.906 ( -10.539 -14.967 -0.000) 18.305 19.857 ( 10.627 -3.198 -0.000) 11.098 20.123 ( 2.147 1.668 0.000) 2.719 20.591 ( -11.132 1.894 0.000) 11.292 21.422 ( -8.698 -15.329 -0.000) 17.625 22.480 ( 2.515 2.472 0.000) 3.527 22.734 ( 1.885 6.800 0.000) 7.057 22.786 ( -2.001 -3.116 -0.000) 3.704 24.029 ( -2.138 -0.885 -0.000) 2.314 ======================= Grid point 62 (35/156) ======================= q-point: ( 0.05 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 14.258 27.255 6.893) 31.522 2.945 ( 27.615 21.593 16.826) 38.884 4.401 ( -4.948 -7.454 -2.000) 9.168 4.577 ( 26.466 -2.597 3.840) 26.869 5.030 ( -7.811 -1.884 -1.960) 8.271 5.603 ( 9.173 10.917 -0.299) 14.262 6.231 ( 5.512 -3.899 -3.832) 7.763 6.479 ( 11.766 5.901 2.694) 13.436 6.877 ( 2.037 3.579 -14.532) 15.104 7.016 ( -8.998 -5.172 -6.798) 12.407 7.142 ( -18.025 -14.498 1.349) 23.171 7.666 ( 3.456 2.015 -16.168) 16.656 8.084 ( -4.071 -0.589 11.326) 12.049 8.286 ( -8.890 3.119 7.257) 11.891 8.696 ( -0.534 -6.791 -5.193) 8.565 9.192 ( 3.314 6.905 4.931) 9.109 9.669 ( 8.643 6.095 6.443) 12.384 10.874 ( -14.011 0.582 4.517) 14.733 11.180 ( 0.921 2.262 -4.847) 5.427 11.281 ( -4.806 3.791 1.557) 6.316 12.015 ( 22.652 -6.879 4.319) 24.064 13.050 ( -1.474 16.470 -12.161) 20.526 14.149 ( -7.246 -1.385 8.379) 11.164 14.643 ( 9.501 -0.001 -3.454) 10.109 14.889 ( 5.175 6.593 -1.427) 8.502 15.670 ( -8.256 -5.025 10.000) 13.907 16.013 ( 1.480 -4.464 -0.301) 4.712 17.209 ( -18.058 -17.802 -2.560) 25.486 19.333 ( -14.536 11.381 -0.317) 18.464 20.215 ( 4.558 3.784 -5.012) 7.760 20.919 ( -1.994 -13.050 -3.484) 13.653 21.185 ( 4.893 -13.113 7.986) 16.114 22.380 ( -3.615 4.606 -2.219) 6.261 22.666 ( -4.818 1.006 4.322) 6.550 22.895 ( 3.308 -0.719 1.603) 3.746 23.853 ( -0.138 -5.561 -9.992) 11.436 ======================= Grid point 63 (36/156) ======================= q-point: ( 0.05 0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.374 ( 9.161 18.656 9.858) 23.003 3.965 ( -4.428 10.297 2.844) 11.564 4.368 ( 3.185 4.421 9.043) 10.558 5.019 ( -1.764 0.377 -6.207) 6.464 5.103 ( 11.785 -14.484 -0.651) 18.684 5.745 ( -9.370 -25.866 -1.780) 27.568 5.815 ( 3.540 -19.799 2.703) 20.294 6.005 ( -17.122 -1.443 5.187) 17.949 6.825 ( -5.479 -5.017 5.855) 9.459 7.004 ( 9.404 -4.109 -0.662) 10.284 7.374 ( 1.354 8.332 -18.442) 20.282 7.656 ( -7.325 9.168 10.392) 15.675 8.030 ( 3.261 10.474 -0.778) 10.997 8.091 ( 5.891 8.756 0.629) 10.572 8.773 ( 0.063 0.940 -1.860) 2.085 8.858 ( 1.084 -3.134 -12.382) 12.819 10.249 ( -14.407 18.114 -1.176) 23.175 10.643 ( 13.824 15.897 12.400) 24.445 10.922 ( -5.971 -3.088 1.879) 6.980 11.160 ( -1.768 4.662 2.260) 5.475 12.488 ( 0.123 -5.635 -16.352) 17.296 13.209 ( 17.254 10.509 3.584) 20.518 13.942 ( -13.615 -9.607 9.040) 18.957 14.820 ( 2.585 6.160 -4.423) 8.012 15.195 ( 4.499 5.460 3.859) 8.059 15.393 ( -4.390 -0.499 1.469) 4.656 16.061 ( 1.734 -6.299 -9.472) 11.507 16.739 ( 0.054 -20.940 2.536) 21.094 19.138 ( 1.719 7.042 9.127) 11.655 20.187 ( -3.497 5.014 -2.269) 6.520 20.746 ( -0.581 -8.828 0.741) 8.878 21.291 ( 0.251 -11.155 -13.121) 17.224 22.434 ( 1.627 2.255 8.467) 8.912 22.611 ( -0.522 3.779 4.790) 6.124 22.986 ( 0.173 -3.240 0.076) 3.245 23.647 ( -1.766 -8.300 -6.208) 10.514 ======================= Grid point 64 (37/156) ======================= q-point: ( 0.05 -0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.185 ( -26.323 6.975 -5.598) 27.801 3.197 ( -20.789 20.983 -13.074) 32.302 4.285 ( 5.223 -3.765 1.681) 6.655 4.582 ( -17.081 5.061 -13.407) 22.296 5.242 ( -6.728 -8.522 4.488) 11.748 5.636 ( -9.411 9.624 3.769) 13.978 6.012 ( 1.211 -2.056 7.211) 7.595 6.280 ( 8.143 -1.629 12.453) 14.968 6.666 ( -17.395 9.332 11.220) 22.706 6.913 ( -5.599 -2.707 9.442) 11.306 7.089 ( 7.170 2.268 3.841) 8.445 7.487 ( 3.497 -14.599 -1.277) 15.066 8.189 ( 5.603 4.597 -8.544) 11.204 8.531 ( 7.322 -3.512 -5.411) 9.758 8.724 ( 2.560 -3.522 5.340) 6.890 9.069 ( 4.473 -0.199 5.926) 7.428 9.597 ( 0.935 22.104 -21.048) 30.536 10.978 ( 2.399 -4.433 6.773) 8.443 11.186 ( 0.784 5.452 2.246) 5.948 11.250 ( 3.613 5.278 3.763) 7.421 11.975 ( -4.621 0.456 -21.429) 21.926 13.345 ( -19.694 -7.054 8.532) 22.592 13.929 ( 7.146 7.178 11.265) 15.149 14.690 ( -0.569 4.332 -9.931) 10.849 14.967 ( -10.294 4.605 -4.916) 12.302 15.687 ( 6.256 -3.389 12.561) 14.436 16.062 ( 12.271 -7.707 -19.235) 24.082 17.193 ( 15.384 -19.461 3.748) 25.089 19.659 ( 4.066 -1.903 15.856) 16.479 19.963 ( -4.072 3.389 1.595) 5.533 20.687 ( -0.491 0.862 -2.025) 2.255 21.216 ( 12.232 -9.041 -14.744) 21.184 22.477 ( -3.726 -2.320 3.559) 5.651 22.784 ( 2.651 5.651 -0.913) 6.308 22.906 ( -2.699 -2.619 -2.627) 4.588 23.593 ( -1.984 -2.887 10.833) 11.385 ======================= Grid point 66 (38/156) ======================= q-point: ( 0.05 -0.05 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( 23.486 30.476 0.000) 38.475 3.060 ( 7.593 30.973 0.000) 31.890 4.312 ( 11.047 21.435 0.000) 24.114 4.410 ( -6.440 -6.158 -0.000) 8.910 5.328 ( -11.329 5.593 0.000) 12.634 5.671 ( 11.584 16.028 0.000) 19.776 6.104 ( -7.315 -15.811 -0.000) 17.421 6.557 ( 5.343 20.248 0.000) 20.941 6.880 ( -19.317 -27.737 -0.000) 33.801 7.016 ( 18.392 17.971 0.000) 25.714 7.513 ( -21.525 -3.638 -0.000) 21.830 7.662 ( -3.808 -14.410 -0.000) 14.904 7.934 ( 6.852 -11.591 -0.000) 13.465 8.306 ( 7.341 11.462 0.000) 13.611 8.491 ( -1.242 -14.642 -0.000) 14.695 8.963 ( 11.734 0.999 0.000) 11.776 9.475 ( 8.778 -6.425 -0.000) 10.878 11.144 ( -1.307 -2.806 -0.000) 3.096 11.247 ( 4.090 6.074 0.000) 7.323 11.345 ( -1.073 -2.826 -0.000) 3.023 11.520 ( 5.503 9.991 0.000) 11.407 13.648 ( 1.846 21.674 0.000) 21.752 14.236 ( -4.904 -5.040 -0.000) 7.032 14.383 ( 3.464 -2.100 -0.000) 4.051 14.982 ( 3.461 2.896 0.000) 4.513 15.446 ( 1.940 -1.549 -0.000) 2.483 15.929 ( -3.121 -8.336 -0.000) 8.901 17.275 ( -18.594 -15.716 -0.000) 24.346 19.971 ( -6.230 9.009 0.000) 10.953 20.234 ( 4.550 0.884 0.000) 4.635 20.422 ( 4.936 -10.848 -0.000) 11.918 20.923 ( -10.260 -12.305 -0.000) 16.021 22.577 ( 0.302 4.126 0.000) 4.137 22.697 ( -2.881 -0.274 -0.000) 2.894 22.859 ( 0.235 3.116 0.000) 3.125 23.879 ( -5.303 -6.692 -0.000) 8.538 ======================= Grid point 67 (39/156) ======================= q-point: ( 0.05 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.394 ( 10.894 18.751 4.069) 22.064 3.892 ( 20.338 18.560 10.896) 29.612 4.243 ( 0.426 -4.561 -0.349) 4.594 4.726 ( -12.197 -6.921 -0.204) 14.025 4.959 ( 14.490 -1.303 2.761) 14.808 5.533 ( -17.033 -8.845 0.608) 19.202 5.696 ( -9.694 -16.964 -5.988) 20.435 6.221 ( -12.660 -18.706 -5.142) 23.166 6.728 ( -11.102 4.146 12.184) 16.997 6.920 ( 6.398 5.302 -5.674) 10.062 7.562 ( 11.826 13.125 -1.648) 17.744 7.931 ( 8.489 11.857 2.612) 14.815 8.064 ( -1.465 1.853 -2.690) 3.580 8.239 ( -2.950 5.770 3.651) 7.438 8.524 ( 9.267 -16.794 -9.619) 21.459 9.214 ( -6.293 -0.641 -8.339) 10.467 10.263 ( 19.352 11.976 13.771) 26.600 10.689 ( -7.373 8.157 -0.402) 11.003 11.163 ( -9.433 1.350 1.732) 9.685 11.278 ( -0.911 5.421 -1.436) 5.681 12.373 ( 20.306 -2.140 0.035) 20.419 13.354 ( -2.812 12.972 -14.239) 19.466 13.906 ( -11.117 -0.017 10.619) 15.374 14.808 ( 10.060 -3.384 -0.914) 10.653 15.138 ( 4.416 7.127 2.303) 8.695 15.440 ( -5.477 -3.201 2.592) 6.852 15.990 ( 5.305 -5.908 -2.340) 8.278 16.463 ( -16.253 -18.539 -0.919) 24.672 19.331 ( -9.897 13.141 0.978) 16.480 20.396 ( 4.554 3.203 -3.286) 6.465 20.501 ( -8.113 -13.118 0.105) 15.424 21.068 ( 9.314 -15.263 0.643) 17.892 22.445 ( -2.035 8.168 0.950) 8.471 22.624 ( -2.362 2.765 3.703) 5.190 22.897 ( 0.499 -2.577 0.934) 2.786 23.627 ( -3.825 -11.558 -5.708) 13.446 ======================= Grid point 68 (40/156) ======================= q-point: ( 0.05 -0.65 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.740 ( -14.655 2.415 0.738) 14.871 3.861 ( -0.535 15.519 2.919) 15.800 4.438 ( -6.265 1.991 -7.352) 9.862 4.864 ( 8.661 -19.215 5.561) 21.798 5.047 ( -6.014 -0.738 -9.372) 11.161 5.450 ( 16.706 -4.544 5.503) 18.167 5.634 ( 0.438 -1.934 8.334) 8.567 5.776 ( 4.198 -12.667 3.507) 13.798 6.642 ( -11.145 9.257 21.882) 26.244 7.080 ( 0.540 -0.692 -3.150) 3.270 7.251 ( -15.141 -0.249 -1.179) 15.189 7.741 ( -8.664 18.869 -8.732) 22.524 8.246 ( 2.928 3.414 -0.098) 4.499 8.457 ( 7.062 5.677 7.738) 11.915 8.710 ( -2.289 -4.229 -5.339) 7.186 8.825 ( 6.038 -11.182 -13.633) 18.637 10.384 ( -4.258 16.359 -2.014) 17.024 10.762 ( -2.096 -0.764 1.997) 2.994 11.186 ( 1.840 3.068 1.071) 3.734 11.270 ( 3.422 11.852 6.660) 14.020 12.442 ( -1.596 2.170 -17.661) 17.865 13.352 ( -13.268 -12.426 8.043) 19.878 13.781 ( 8.647 12.242 3.956) 15.502 14.946 ( 0.808 2.940 -7.494) 8.090 15.299 ( -5.657 -0.129 2.458) 6.169 15.359 ( 1.101 4.495 4.187) 6.241 15.931 ( 5.936 -13.351 -7.439) 16.396 16.436 ( 9.892 -16.745 3.723) 19.802 19.356 ( 3.140 6.502 9.840) 12.204 20.114 ( -6.849 1.915 0.518) 7.131 20.590 ( 1.674 -8.642 1.221) 8.887 21.160 ( 6.571 -8.124 -13.160) 16.804 22.478 ( -1.584 5.099 3.297) 6.275 22.782 ( 5.437 4.261 3.321) 7.664 22.900 ( -0.424 -4.041 -0.967) 4.176 23.402 ( -2.329 -9.547 -0.208) 9.829 ======================= Grid point 69 (41/156) ======================= q-point: ( 0.05 -0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( -22.743 13.765 -12.692) 29.459 3.293 ( -16.925 24.340 -17.335) 34.343 4.382 ( 7.902 0.129 -0.668) 7.931 4.679 ( 1.413 20.069 -6.528) 21.151 4.976 ( -1.178 -6.976 3.701) 7.984 5.590 ( -6.322 2.907 1.250) 7.069 6.136 ( -2.807 17.166 6.833) 18.689 6.500 ( 14.580 -3.065 2.934) 15.185 6.604 ( -13.447 15.528 9.613) 22.680 6.851 ( 4.970 -7.233 14.813) 17.218 7.097 ( 0.574 -9.833 5.016) 11.053 7.391 ( 1.128 3.356 6.283) 7.212 8.260 ( -5.371 -2.662 -1.455) 6.169 8.416 ( 2.655 -10.665 -9.376) 14.446 8.683 ( 1.221 -3.648 0.096) 3.848 9.094 ( 2.218 -4.356 9.433) 10.624 9.931 ( -9.521 14.182 -17.943) 24.773 10.967 ( 3.075 -12.401 -4.047) 13.402 11.064 ( -3.411 -2.213 6.669) 7.811 11.328 ( -2.912 -1.685 -2.961) 4.482 12.164 ( 5.076 15.012 -11.897) 19.815 12.821 ( -14.090 -2.987 10.199) 17.649 14.199 ( 4.884 4.213 4.184) 7.688 14.666 ( -7.311 1.739 -7.652) 10.725 14.925 ( -5.197 7.721 -3.990) 10.126 15.683 ( 4.143 -7.655 9.025) 12.539 16.133 ( 8.640 -7.173 -12.047) 16.469 17.146 ( 17.947 -17.312 3.745) 25.216 19.329 ( -8.926 -10.702 -0.045) 13.936 20.083 ( -2.692 6.361 8.667) 11.083 20.873 ( 12.714 -0.969 1.444) 12.832 21.335 ( 9.946 -3.295 -7.257) 12.745 22.360 ( -4.403 0.126 -0.741) 4.466 22.754 ( -2.262 -4.370 -4.501) 6.669 22.936 ( 1.353 3.030 -2.549) 4.184 23.608 ( 2.903 3.414 14.768) 15.433 ======================= Grid point 71 (42/156) ======================= q-point: ( 0.05 -0.05 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.671 ( -1.295 22.682 0.000) 22.719 3.829 ( 20.669 26.408 0.000) 33.535 4.249 ( -4.339 0.285 0.000) 4.349 4.732 ( 7.134 -0.269 0.000) 7.139 5.015 ( -21.727 -7.043 -0.000) 22.840 5.617 ( -3.563 -9.405 -0.000) 10.057 5.682 ( -22.365 -15.669 -0.000) 27.307 6.022 ( -4.970 -9.722 -0.000) 10.919 6.990 ( 2.658 -0.190 -0.000) 2.665 7.001 ( -13.494 -0.521 -0.000) 13.504 7.675 ( 9.749 1.221 0.000) 9.825 7.686 ( 13.205 13.079 0.000) 18.586 7.967 ( 17.452 -6.176 -0.000) 18.513 8.181 ( -8.791 -4.461 -0.000) 9.858 8.400 ( 4.229 3.915 0.000) 5.763 9.284 ( -0.759 -7.794 -0.000) 7.831 9.889 ( 28.725 17.070 0.000) 33.414 11.081 ( -6.740 4.862 0.000) 8.310 11.166 ( -3.196 -9.276 -0.000) 9.811 11.430 ( -0.774 6.972 0.000) 7.015 11.917 ( 17.969 4.848 0.000) 18.611 13.877 ( -13.125 -10.303 -0.000) 16.685 14.155 ( -0.617 26.359 0.000) 26.366 14.403 ( 7.943 -8.243 -0.000) 11.447 15.172 ( 4.806 4.536 0.000) 6.609 15.391 ( -2.120 -3.715 -0.000) 4.277 15.759 ( 3.348 -8.047 -0.000) 8.715 16.583 ( -20.406 -10.008 -0.000) 22.728 19.953 ( -18.237 14.981 0.000) 23.602 20.151 ( -1.485 -15.230 -0.000) 15.303 20.390 ( 17.953 -15.616 -0.000) 23.795 20.689 ( -4.074 6.824 0.000) 7.947 22.668 ( -2.020 2.446 0.000) 3.172 22.681 ( -0.454 6.862 0.000) 6.877 22.881 ( -2.008 1.257 0.000) 2.369 23.539 ( -7.620 -12.866 -0.000) 14.953 ======================= Grid point 72 (43/156) ======================= q-point: ( 0.05 0.15 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.866 ( 8.669 7.576 1.994) 11.685 4.104 ( -9.667 2.388 -0.689) 9.982 4.157 ( 4.449 -8.966 4.475) 10.964 4.549 ( -4.294 -16.152 -6.507) 17.935 4.961 ( 14.657 6.417 8.147) 17.955 5.325 ( -1.659 3.749 -1.591) 4.398 5.423 ( -4.076 -1.861 0.456) 4.504 5.678 ( -8.518 -12.847 3.230) 15.750 6.752 ( -7.118 15.750 11.707) 20.876 7.123 ( 4.269 2.802 -0.116) 5.108 7.591 ( -15.426 3.099 1.601) 15.816 8.094 ( 8.186 -10.133 1.959) 13.173 8.227 ( 0.073 6.763 -3.060) 7.423 8.435 ( 5.849 -6.706 -3.072) 9.413 8.532 ( 7.884 10.623 -9.423) 16.242 8.996 ( -6.198 -7.076 -7.402) 11.970 10.566 ( -0.089 9.044 1.571) 9.180 10.846 ( -1.496 -2.582 -3.237) 4.402 11.219 ( 9.007 9.960 7.648) 15.453 11.317 ( -5.157 2.636 0.928) 5.866 12.753 ( 11.745 5.916 -5.644) 14.311 13.141 ( -12.751 -11.004 1.629) 16.922 14.025 ( -3.240 20.485 0.948) 20.761 14.890 ( 11.947 -12.979 -4.007) 18.089 15.266 ( -2.177 1.880 3.004) 4.159 15.344 ( 0.755 -1.868 3.294) 3.861 15.830 ( -12.012 -4.203 -2.079) 12.894 16.029 ( 6.667 -8.205 -0.124) 10.573 19.473 ( -3.930 14.401 2.119) 15.077 20.105 ( -0.010 -14.846 -0.535) 14.855 20.510 ( -4.427 6.148 0.262) 7.581 20.939 ( 7.711 -13.691 -2.320) 15.883 22.647 ( -0.425 12.294 1.661) 12.413 22.691 ( 3.454 2.951 2.065) 4.990 22.833 ( -0.289 -2.539 -0.080) 2.556 23.266 ( -4.069 -14.295 -2.957) 15.154 ======================= Grid point 73 (44/156) ======================= q-point: ( 0.05 -0.65 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.664 ( -9.927 13.052 -9.356) 18.879 4.117 ( -4.038 12.317 -1.695) 13.072 4.458 ( 4.512 6.282 -6.773) 10.281 4.694 ( 8.028 -12.983 2.264) 15.432 4.954 ( -3.264 0.146 3.750) 4.974 5.457 ( -1.160 -4.408 3.298) 5.626 5.688 ( 15.983 -11.281 -1.520) 19.622 5.920 ( 18.826 -1.840 7.322) 20.283 6.724 ( -6.912 13.231 13.452) 20.094 6.982 ( -10.144 9.506 10.574) 17.466 7.094 ( -5.568 1.812 -4.513) 7.393 7.896 ( -11.507 15.336 -6.366) 20.202 8.258 ( -8.916 -2.413 3.669) 9.939 8.499 ( -3.584 -11.008 -10.940) 15.928 8.620 ( 1.886 5.523 2.909) 6.521 8.647 ( 8.029 -14.444 0.292) 16.528 10.636 ( -0.396 8.211 -0.161) 8.222 10.838 ( 2.992 3.653 -7.276) 8.674 10.968 ( -13.567 -7.267 5.733) 16.424 11.449 ( -2.340 0.456 -5.405) 5.907 12.352 ( -6.812 -4.780 2.140) 8.592 13.090 ( -5.545 11.820 -3.980) 13.650 14.090 ( 5.911 1.326 -0.716) 6.100 14.922 ( -4.026 -4.248 -6.359) 8.642 15.213 ( -4.467 4.792 2.623) 7.056 15.426 ( -1.043 2.415 1.735) 3.151 15.817 ( 9.766 -12.058 6.255) 16.730 16.467 ( 16.707 -7.463 -1.610) 18.369 19.411 ( -5.167 1.705 -3.196) 6.311 20.157 ( -4.405 9.912 8.251) 13.628 20.493 ( 11.103 -8.889 0.428) 14.230 21.132 ( 5.809 -9.081 -2.136) 10.989 22.578 ( -1.984 5.703 -5.867) 8.419 22.774 ( -0.817 -3.840 -3.069) 4.983 22.958 ( 3.008 -0.127 -1.708) 3.461 23.298 ( 6.177 -0.540 9.578) 11.410 ======================= Grid point 75 (45/156) ======================= q-point: ( 0.05 -0.25 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.059 ( 19.328 21.749 -1.189) 29.120 3.328 ( 18.056 25.379 -12.397) 33.523 4.247 ( 0.900 -9.982 3.733) 10.695 4.862 ( -10.922 9.688 -3.241) 14.955 5.622 ( -3.901 7.499 3.407) 9.114 5.914 ( -9.107 -19.493 -2.440) 21.654 5.960 ( -0.359 30.564 -0.942) 30.580 6.705 ( -13.966 -4.507 10.862) 18.257 6.854 ( -8.187 -9.591 4.289) 13.319 7.074 ( 9.297 17.898 7.641) 21.568 7.260 ( 3.784 5.715 8.835) 11.182 7.642 ( 1.040 -7.552 -10.065) 12.626 7.721 ( -3.294 -8.571 -1.149) 9.254 8.172 ( 1.785 -16.257 1.370) 16.412 8.619 ( -3.023 -1.583 -15.306) 15.682 8.912 ( 11.162 9.073 -8.569) 16.743 9.028 ( 8.719 -6.339 2.307) 11.024 10.828 ( 10.735 -9.686 -1.136) 14.503 11.143 ( 1.338 -7.251 1.822) 7.596 11.266 ( 3.431 6.469 9.134) 11.707 12.064 ( -12.183 13.714 -5.706) 19.210 13.578 ( 14.430 -0.662 14.504) 20.471 14.141 ( -1.377 5.055 -6.448) 8.308 14.489 ( -3.003 -0.147 3.345) 4.497 14.959 ( 5.040 4.936 -3.409) 7.835 15.585 ( 0.197 -7.409 -8.685) 11.418 15.864 ( -8.654 -0.603 -0.883) 8.720 17.303 ( -11.531 -10.345 1.805) 15.596 19.439 ( 17.897 -9.533 4.631) 20.800 20.101 ( 0.100 -0.972 3.892) 4.013 20.843 ( -6.557 1.520 1.728) 6.949 21.062 ( -18.035 0.067 -11.262) 21.263 22.549 ( 6.267 0.346 -0.110) 6.278 22.683 ( 2.250 -0.035 2.471) 3.343 22.979 ( -1.728 3.665 -1.023) 4.179 23.832 ( -6.967 -4.374 4.996) 9.625 ======================= Grid point 76 (46/156) ======================= q-point: ( 0.05 -0.05 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.978 ( -4.757 14.527 0.000) 15.287 4.127 ( -9.378 0.395 -0.000) 9.386 4.358 ( -7.632 -21.978 -0.000) 23.265 4.374 ( -8.164 2.841 0.000) 8.644 4.833 ( 15.522 17.982 0.000) 23.755 5.354 ( 1.642 0.473 0.000) 1.709 5.488 ( -2.323 -3.150 -0.000) 3.913 5.564 ( -16.421 -12.221 -0.000) 20.470 6.903 ( 5.265 -15.488 -0.000) 16.359 6.995 ( 1.612 8.804 0.000) 8.950 7.583 ( 9.115 -17.010 -0.000) 19.299 8.010 ( -10.038 11.747 0.000) 15.452 8.212 ( 8.333 -1.578 -0.000) 8.481 8.283 ( 8.981 10.711 0.000) 13.978 8.752 ( 7.493 11.958 0.000) 14.112 8.985 ( -4.405 -12.983 -0.000) 13.710 10.629 ( 10.010 10.464 0.000) 14.481 10.861 ( -4.123 -12.040 -0.000) 12.726 11.136 ( 3.860 5.392 0.000) 6.631 11.450 ( -6.955 0.975 0.000) 7.023 12.460 ( 22.865 7.396 0.000) 24.032 13.337 ( -16.974 -10.434 -0.000) 19.924 14.325 ( 7.110 -16.047 -0.000) 17.551 14.687 ( -6.010 30.431 0.000) 31.019 15.253 ( -0.655 -5.313 -0.000) 5.353 15.275 ( 1.107 -0.437 -0.000) 1.190 15.708 ( 7.340 -7.795 -0.000) 10.707 16.137 ( -14.207 2.538 0.000) 14.432 19.753 ( -1.262 -17.145 -0.000) 17.191 19.931 ( -10.280 13.226 0.000) 16.751 20.465 ( 13.099 -9.308 -0.000) 16.069 20.827 ( -4.861 12.262 0.000) 13.190 22.707 ( -0.310 3.141 0.000) 3.156 22.771 ( -2.334 -0.149 -0.000) 2.339 22.943 ( 1.107 11.288 0.000) 11.342 23.084 ( -6.404 -15.724 -0.000) 16.979 ======================= Grid point 77 (47/156) ======================= q-point: ( 0.05 0.15 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.997 ( 4.438 -14.043 1.559) 14.810 4.109 ( 4.629 2.988 -2.078) 5.889 4.277 ( 7.649 6.685 -2.951) 10.578 4.413 ( 11.644 6.763 -0.051) 13.466 4.892 ( -13.448 -12.996 5.533) 19.503 5.386 ( -2.222 -0.332 2.478) 3.345 5.486 ( 7.385 2.443 1.758) 7.975 5.619 ( 9.755 9.170 2.207) 13.569 6.908 ( -6.965 8.279 4.158) 11.591 7.079 ( -1.688 -3.983 6.426) 7.746 7.548 ( -9.835 17.540 -4.401) 20.585 8.029 ( 10.494 -9.903 1.949) 14.560 8.203 ( -7.562 -5.239 -0.950) 9.248 8.318 ( -5.648 -5.008 3.210) 8.202 8.657 ( -7.535 -11.576 -8.231) 16.079 8.891 ( 3.518 13.305 -9.207) 16.558 10.659 ( -6.739 -6.608 2.629) 9.797 10.820 ( 4.797 4.842 -3.951) 7.878 11.162 ( -6.732 -0.951 2.854) 7.373 11.475 ( 5.030 -1.336 1.749) 5.491 12.476 ( -21.652 -6.547 1.698) 22.684 13.303 ( 15.688 9.570 -3.245) 18.661 14.263 ( -8.845 8.633 -5.652) 13.590 14.705 ( 7.652 -19.706 1.564) 21.198 15.282 ( -0.763 3.999 2.995) 5.054 15.328 ( 1.524 -1.103 4.396) 4.782 15.699 ( -7.379 7.313 -0.716) 10.414 16.120 ( 13.988 -2.266 -1.696) 14.271 19.702 ( -1.904 9.867 -4.389) 10.966 19.975 ( 12.205 -6.917 3.627) 14.490 20.476 ( -11.808 8.299 1.137) 14.478 20.829 ( 5.241 -10.510 0.276) 11.748 22.704 ( -1.173 -3.016 -0.254) 3.246 22.785 ( 1.658 1.211 0.942) 2.259 22.922 ( -0.653 -8.373 -2.125) 8.663 23.087 ( 7.476 11.381 0.623) 13.631 ======================= Grid point 78 (48/156) ======================= q-point: ( 0.05 0.35 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.585 ( -18.894 4.629 -11.696) 22.698 4.028 ( -9.140 -5.080 -3.935) 11.172 4.397 ( -5.151 -12.654 5.656) 14.787 4.886 ( 0.798 1.280 7.142) 7.299 5.106 ( 17.482 16.841 -0.769) 24.286 5.719 ( 18.233 -5.213 1.684) 19.039 5.874 ( 18.233 9.978 -1.123) 20.815 6.119 ( 11.841 -11.698 -7.655) 18.320 6.880 ( -6.859 3.068 6.790) 10.127 7.005 ( 1.970 7.601 -0.321) 7.859 7.122 ( 1.664 7.220 -1.768) 7.617 7.766 ( -7.562 -15.517 0.255) 17.264 8.011 ( -13.404 14.616 3.131) 20.077 8.118 ( -11.263 -7.813 -4.114) 14.312 8.610 ( 3.925 -1.720 11.954) 12.699 8.819 ( 2.645 6.276 -5.506) 8.758 10.131 ( -22.476 -23.160 10.120) 33.823 10.841 ( -12.769 13.369 -7.456) 19.934 10.949 ( 1.808 2.338 -0.886) 3.086 11.287 ( -4.630 -5.870 -10.309) 12.735 12.222 ( 5.571 -5.332 11.207) 13.604 13.333 ( -7.821 18.002 -9.403) 21.764 14.111 ( 9.240 -12.133 -8.844) 17.630 14.711 ( -7.533 -1.592 6.773) 10.255 15.205 ( -5.355 1.191 2.844) 6.179 15.456 ( -1.093 3.904 -4.144) 5.797 15.856 ( 9.645 -3.991 11.127) 15.256 16.792 ( 19.243 2.016 -2.842) 19.556 19.338 ( -7.751 5.511 -11.700) 15.078 20.130 ( -5.665 0.758 3.832) 6.881 20.746 ( 12.430 0.698 1.344) 12.522 21.053 ( 7.794 -7.269 10.860) 15.216 22.580 ( -2.008 0.139 -6.571) 6.873 22.697 ( -3.384 -0.326 -3.847) 5.134 22.989 ( 2.946 -1.447 -0.178) 3.287 23.541 ( 9.350 3.932 4.468) 11.084 ======================= Grid point 80 (49/156) ======================= q-point: ( 0.05 -0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.791 ( 19.390 4.618 9.606) 22.126 4.092 ( 11.467 9.299 -0.417) 14.769 4.248 ( 7.037 12.150 -5.141) 14.952 4.767 ( -8.518 -0.551 -4.953) 9.869 5.121 ( -15.727 -19.182 0.584) 24.812 5.685 ( -14.346 -2.100 -1.273) 14.555 5.811 ( -15.235 -10.994 -6.431) 19.858 6.256 ( -17.521 9.236 3.576) 20.127 6.725 ( 3.244 -13.390 -1.777) 13.891 7.066 ( -7.524 -14.426 3.252) 16.592 7.267 ( 1.935 -8.294 7.970) 11.664 7.703 ( 10.783 14.697 -4.539) 18.785 7.896 ( 11.711 -0.256 -6.949) 13.620 8.238 ( 12.930 8.423 6.707) 16.826 8.428 ( -6.389 2.446 -6.767) 9.623 8.938 ( 2.389 -10.829 5.472) 12.366 9.923 ( 25.250 28.712 -10.074) 39.540 10.932 ( 9.760 -10.332 2.620) 14.453 10.960 ( 2.289 -6.179 0.302) 6.596 11.482 ( 2.959 5.378 8.514) 10.496 12.064 ( -6.998 8.205 -5.547) 12.127 13.551 ( 2.730 -15.453 12.336) 19.961 14.267 ( -8.010 5.476 7.012) 11.971 14.563 ( 10.975 7.339 -8.636) 15.776 15.138 ( 5.673 0.046 -2.859) 6.353 15.472 ( 2.881 -6.909 -3.631) 8.320 15.705 ( -12.687 7.390 -3.078) 15.001 16.838 ( -18.612 -2.703 1.830) 18.896 19.569 ( 10.921 -8.627 12.013) 18.385 20.033 ( 3.746 -7.599 -6.486) 10.670 20.680 ( -19.889 3.593 -4.848) 20.784 20.919 ( -0.697 10.810 -3.165) 11.285 22.677 ( 3.508 2.132 3.586) 5.451 22.746 ( 2.207 1.609 1.283) 3.017 22.993 ( -2.851 2.647 0.228) 3.897 23.487 ( -10.945 -10.240 -1.405) 15.055 ======================= Grid point 81 (50/156) ======================= q-point: ( 0.05 -0.05 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.848 ( -9.910 -8.037 -0.000) 12.760 4.108 ( 1.909 3.107 0.000) 3.647 4.112 ( 4.607 0.387 0.000) 4.623 4.634 ( 8.826 21.921 0.000) 23.631 4.853 ( -19.866 -12.820 -0.000) 23.643 5.315 ( -4.011 -6.382 -0.000) 7.538 5.507 ( 4.245 2.790 0.000) 5.080 5.579 ( 15.017 20.723 0.000) 25.592 6.636 ( 7.731 -19.532 -0.000) 21.006 7.129 ( -2.991 -0.439 -0.000) 3.023 7.573 ( 13.642 -4.769 -0.000) 14.451 8.066 ( -8.860 7.439 0.000) 11.569 8.254 ( -0.103 -4.414 -0.000) 4.415 8.448 ( -3.393 0.742 0.000) 3.473 8.668 ( -9.258 -1.846 -0.000) 9.440 9.063 ( 6.179 6.016 0.000) 8.624 10.552 ( -1.903 -11.549 -0.000) 11.704 10.894 ( 7.784 3.616 0.000) 8.583 11.118 ( -13.588 -12.472 -0.000) 18.444 11.311 ( 4.880 -1.059 -0.000) 4.994 12.813 ( -19.770 -3.184 -0.000) 20.024 13.123 ( 21.524 10.609 0.000) 23.997 14.017 ( 2.668 -22.190 -0.000) 22.350 14.933 ( -15.133 12.541 0.000) 19.654 15.246 ( 1.382 0.143 0.000) 1.390 15.295 ( 2.079 0.990 0.000) 2.303 15.849 ( 14.549 5.108 0.000) 15.420 16.032 ( -8.588 7.208 0.000) 11.212 19.453 ( 4.913 -15.375 -0.000) 16.140 20.110 ( -0.412 14.879 0.000) 14.885 20.507 ( 5.651 -6.137 -0.000) 8.342 20.962 ( -9.379 15.261 0.000) 17.913 22.630 ( -0.416 -12.905 -0.000) 12.912 22.670 ( -2.599 -3.007 -0.000) 3.975 22.834 ( -0.052 1.872 0.000) 1.872 23.295 ( 4.749 14.844 0.000) 15.585 ======================= Grid point 82 (51/156) ======================= q-point: ( 0.05 0.15 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.690 ( 0.919 -21.956 1.871) 22.054 3.911 ( -20.143 -23.250 6.778) 31.500 4.203 ( 3.359 0.428 -3.159) 4.631 4.776 ( -6.342 -0.297 4.431) 7.742 4.998 ( 21.427 7.271 -1.682) 22.689 5.559 ( 7.552 11.491 -3.190) 14.115 5.739 ( 17.787 8.057 3.303) 19.805 6.025 ( 6.229 12.362 -2.298) 14.032 6.900 ( -2.908 -1.823 -2.571) 4.288 7.039 ( 8.683 -0.032 0.667) 8.709 7.599 ( -15.734 -19.950 -1.746) 25.467 7.720 ( -13.847 15.489 -15.528) 25.938 7.962 ( -9.601 -9.265 11.846) 17.842 8.258 ( 8.856 5.160 6.825) 12.314 8.401 ( -2.139 -0.269 1.966) 2.917 9.188 ( 1.287 9.061 -10.716) 14.093 10.015 ( -27.489 -15.667 11.877) 33.796 10.978 ( 7.833 -1.997 -7.595) 11.092 11.210 ( 0.595 6.887 1.677) 7.113 11.422 ( -0.992 -6.223 -1.081) 6.394 11.972 ( -15.694 -4.607 5.888) 17.383 13.760 ( 13.709 -1.343 -10.741) 17.467 14.029 ( -6.863 -4.748 -8.534) 11.936 14.564 ( -2.838 -1.116 11.633) 12.026 15.189 ( -4.833 -5.696 1.986) 7.729 15.467 ( 5.802 4.026 6.175) 9.381 15.737 ( -4.467 8.081 -1.539) 9.361 16.563 ( 20.245 9.914 -2.083) 22.638 19.810 ( 8.644 -2.975 -11.985) 15.073 20.135 ( -2.442 2.450 -0.715) 3.532 20.533 ( -0.820 15.368 9.554) 18.114 20.708 ( 0.614 -6.431 3.499) 7.346 22.606 ( 0.546 -4.928 -3.412) 6.018 22.747 ( 0.946 -3.127 3.698) 4.934 22.883 ( 1.997 -0.886 0.220) 2.196 23.503 ( 7.609 10.949 -3.472) 13.778 ======================= Grid point 84 (52/156) ======================= q-point: ( 0.05 0.55 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( 12.885 -10.768 15.494) 22.848 3.683 ( 10.259 -12.144 6.823) 17.300 4.506 ( 5.062 6.623 5.327) 9.893 4.866 ( 0.577 1.486 -7.656) 7.821 5.050 ( -9.446 -15.000 -6.478) 18.873 5.861 ( -18.004 -19.727 -5.366) 27.241 6.239 ( -0.027 4.572 -12.901) 13.687 6.422 ( 3.868 -13.256 -5.949) 15.035 6.752 ( 5.136 -20.111 5.239) 21.407 6.846 ( -15.952 5.593 1.296) 16.953 7.073 ( -6.238 -7.353 2.549) 9.974 7.409 ( -0.651 -4.511 1.295) 4.738 7.893 ( 7.522 7.873 -6.073) 12.468 8.294 ( 2.559 21.229 7.076) 22.523 8.549 ( 4.498 -6.658 -10.811) 13.470 8.888 ( 0.001 6.226 -1.648) 6.441 10.066 ( 23.520 9.111 9.522) 26.961 10.497 ( 3.943 8.345 -2.335) 9.521 10.946 ( -1.434 2.210 -3.822) 4.641 11.307 ( 5.592 2.488 6.066) 8.617 12.520 ( -14.387 2.703 -6.308) 15.940 12.866 ( 5.529 -12.358 18.311) 22.772 14.319 ( -0.871 -7.882 -4.041) 8.900 14.609 ( 5.547 6.245 5.483) 9.991 15.060 ( 2.066 -3.870 0.441) 4.409 15.396 ( 0.727 0.891 -9.430) 9.500 16.209 ( -7.059 12.618 3.106) 14.788 17.198 ( -13.824 7.801 0.229) 15.874 19.148 ( 5.345 1.580 4.695) 7.288 19.975 ( 1.748 -4.988 -6.328) 8.245 20.958 ( -0.432 6.528 1.325) 6.675 21.410 ( -13.421 4.484 -6.564) 15.599 22.416 ( 6.663 -3.703 5.508) 9.405 22.701 ( 2.975 2.511 2.910) 4.861 23.046 ( -1.545 -0.453 1.713) 2.351 23.588 ( -6.204 -8.054 -7.885) 12.866 ======================= Grid point 85 (53/156) ======================= q-point: ( 0.05 0.75 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.848 ( 3.908 -16.230 9.422) 19.170 4.145 ( 0.834 -13.130 0.523) 13.167 4.527 ( -6.972 -1.499 1.126) 7.220 4.631 ( -9.346 12.038 -4.133) 15.790 4.911 ( 10.066 11.851 0.534) 15.559 5.364 ( 2.835 1.268 -6.551) 7.250 5.658 ( -10.628 5.224 -3.248) 12.280 5.842 ( -24.539 -2.309 -2.806) 24.806 6.414 ( 6.484 -23.100 -11.405) 26.566 6.919 ( 12.064 -4.699 -0.850) 12.975 7.195 ( 1.194 -2.608 4.447) 5.292 7.964 ( 9.784 -9.310 0.939) 13.539 8.190 ( 10.455 4.658 -2.997) 11.832 8.426 ( 1.154 -5.227 -5.932) 7.990 8.693 ( 6.738 9.522 8.703) 14.553 8.830 ( -3.861 9.524 7.305) 12.609 10.637 ( -1.699 -5.163 0.352) 5.447 10.768 ( 3.851 2.504 -7.210) 8.549 11.030 ( 7.035 0.116 5.158) 8.725 11.521 ( -1.953 -5.173 2.138) 5.928 12.303 ( 12.391 11.833 -2.386) 17.299 13.245 ( -3.125 -10.014 9.942) 14.454 14.093 ( -5.998 -7.067 -0.089) 9.270 14.994 ( 10.518 6.647 -2.979) 12.794 15.144 ( 1.155 -5.430 1.194) 5.679 15.419 ( 5.479 -6.783 -0.101) 8.720 15.702 ( -13.986 21.217 -5.187) 25.936 16.500 ( -16.110 5.152 1.515) 16.981 19.476 ( -1.560 -9.159 3.343) 9.874 20.009 ( 9.392 -7.866 -6.676) 13.952 20.486 ( -10.572 9.476 -0.304) 14.200 21.165 ( -2.238 14.055 1.267) 14.289 22.701 ( -2.052 -5.777 6.764) 9.129 22.817 ( -0.390 3.587 1.354) 3.854 22.972 ( -5.985 -4.619 -0.910) 7.614 23.141 ( 0.084 2.736 -6.154) 6.735 ======================= Grid point 86 (54/156) ======================= q-point: ( 0.05 -0.05 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.355 ( -10.751 -19.837 -0.000) 22.563 3.772 ( -21.129 -20.285 -0.000) 29.290 4.253 ( 0.821 3.272 0.000) 3.374 4.728 ( 12.567 7.051 0.000) 14.410 4.927 ( -15.353 1.623 0.000) 15.439 5.524 ( 18.159 12.086 0.000) 21.814 5.774 ( 7.699 15.418 0.000) 17.234 6.280 ( 9.234 25.198 0.000) 26.837 6.576 ( 18.223 -9.774 -0.000) 20.679 6.983 ( -4.879 -5.536 -0.000) 7.379 7.629 ( -0.655 -8.032 -0.000) 8.059 7.780 ( -16.845 -10.126 -0.000) 19.655 8.126 ( 1.306 -0.490 -0.000) 1.395 8.226 ( 0.139 -12.970 -0.000) 12.971 8.670 ( -12.594 20.308 0.000) 23.896 9.274 ( 6.695 -1.687 -0.000) 6.904 10.117 ( -20.245 -14.388 -0.000) 24.836 10.693 ( 8.207 -12.267 -0.000) 14.759 11.135 ( 9.429 1.112 0.000) 9.494 11.302 ( 1.378 -4.459 -0.000) 4.667 12.373 ( -23.558 2.926 0.000) 23.739 13.596 ( 0.984 -21.418 -0.000) 21.440 13.699 ( 15.994 6.672 0.000) 17.330 14.825 ( -11.098 5.517 0.000) 12.393 15.116 ( -3.752 -7.448 -0.000) 8.340 15.407 ( 4.206 2.887 0.000) 5.101 16.013 ( -6.549 5.636 0.000) 8.641 16.473 ( 17.574 18.815 0.000) 25.745 19.322 ( 11.665 -14.197 -0.000) 18.374 20.426 ( -2.677 -3.539 -0.000) 4.437 20.499 ( 8.210 13.355 0.000) 15.677 21.063 ( -13.689 17.100 0.000) 21.904 22.440 ( 4.789 -9.110 -0.000) 10.293 22.584 ( 1.005 -2.865 -0.000) 3.036 22.888 ( -0.736 2.489 0.000) 2.595 23.683 ( 4.549 12.361 0.000) 13.172 ======================= Grid point 87 (55/156) ======================= q-point: ( 0.05 0.15 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( -22.331 -28.074 13.838) 38.449 3.095 ( -7.751 -29.531 3.587) 30.741 4.348 ( 1.321 0.888 -2.153) 2.678 4.390 ( -5.098 -14.819 4.835) 16.401 5.306 ( 10.647 -5.822 -2.291) 12.349 5.667 ( -10.736 -14.796 -0.509) 18.288 6.089 ( 6.734 13.025 -1.831) 14.777 6.499 ( -2.819 -10.731 -7.413) 13.344 6.840 ( -15.287 -18.989 -11.547) 26.974 6.924 ( 17.471 22.126 3.448) 28.403 7.468 ( -4.729 2.395 -13.752) 14.738 7.499 ( 12.703 3.724 -13.847) 19.156 7.947 ( -3.355 9.397 14.353) 17.481 8.457 ( 3.277 4.254 3.794) 6.575 8.589 ( 6.728 8.541 12.167) 16.317 9.140 ( -13.954 -3.003 13.208) 19.447 9.375 ( -13.264 6.563 -7.122) 16.424 11.094 ( 4.352 1.163 -4.961) 6.701 11.227 ( -4.964 -3.368 -1.887) 6.289 11.305 ( -4.279 3.055 -2.499) 5.821 11.655 ( -2.306 -7.976 12.390) 14.915 13.532 ( 1.556 -20.520 -9.963) 22.864 14.139 ( -0.855 7.728 -9.573) 12.333 14.494 ( -2.425 -0.460 9.813) 10.119 14.927 ( -5.816 -8.084 -1.541) 10.078 15.675 ( 4.377 6.488 18.481) 20.070 15.875 ( 1.908 8.216 -5.502) 10.070 17.252 ( 18.760 15.583 -2.282) 24.494 19.932 ( 14.122 -10.099 -7.914) 19.080 20.026 ( -14.338 8.054 -9.451) 18.967 20.594 ( -3.388 1.031 8.732) 9.422 20.990 ( 10.479 13.873 7.811) 19.060 22.540 ( 1.540 -4.084 -3.034) 5.316 22.737 ( -0.330 0.808 3.199) 3.316 22.870 ( 0.480 -3.040 1.186) 3.299 23.791 ( 4.284 4.179 -8.639) 10.510 ======================= Grid point 89 (56/156) ======================= q-point: ( 0.05 0.55 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.116 ( 16.373 -13.509 15.088) 26.043 3.557 ( 11.665 -20.529 10.418) 25.807 4.426 ( -6.312 -7.206 3.401) 10.166 4.801 ( 0.614 -8.060 5.716) 9.900 4.894 ( 4.869 4.936 -4.759) 8.409 5.543 ( 1.156 2.041 -4.200) 4.811 5.938 ( 3.712 -20.196 -13.119) 24.367 6.333 ( 3.679 -15.939 -25.522) 30.315 6.436 ( -21.802 7.574 0.553) 23.087 6.636 ( 6.150 -3.170 -1.017) 6.993 7.096 ( 3.895 1.213 5.009) 6.460 7.367 ( 3.386 -0.191 0.707) 3.464 8.202 ( 7.587 4.659 -5.213) 10.317 8.453 ( 2.364 -7.927 -14.310) 16.529 8.646 ( -1.352 8.976 4.435) 10.103 9.037 ( -0.956 8.367 2.936) 8.918 10.270 ( 4.730 -10.624 16.792) 20.426 10.932 ( -2.550 3.524 -5.976) 7.391 11.022 ( 3.073 14.256 0.869) 14.610 11.364 ( 0.915 -5.418 0.253) 5.501 12.394 ( -1.416 3.181 6.070) 6.998 12.781 ( 8.037 -2.421 11.909) 14.570 14.082 ( -2.862 -11.307 -6.250) 13.232 14.851 ( 7.501 2.010 9.650) 12.387 14.995 ( 3.542 -6.593 1.924) 7.728 15.422 ( -1.502 1.468 -16.360) 16.495 16.360 ( -11.890 18.993 10.451) 24.725 17.078 ( -18.655 15.179 -3.132) 24.254 19.341 ( 5.152 5.095 1.457) 7.390 19.900 ( 3.138 -6.510 -10.196) 12.497 20.860 ( -13.445 1.353 -0.074) 13.513 21.441 ( -3.862 11.232 3.682) 12.435 22.422 ( 2.792 -5.197 5.896) 8.341 22.830 ( 2.853 3.833 3.444) 5.890 22.983 ( -2.136 -3.139 2.137) 4.357 23.324 ( -0.608 -5.923 -14.512) 15.686 ======================= Grid point 90 (57/156) ======================= q-point: ( 0.05 0.75 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.730 ( 5.650 -8.998 0.441) 10.634 3.817 ( 2.825 -13.192 -2.386) 13.700 4.484 ( -7.749 0.337 -2.644) 8.195 4.786 ( 4.780 14.122 -1.145) 14.953 5.223 ( 1.285 -2.243 5.436) 6.019 5.358 ( -16.784 12.725 0.806) 21.078 5.534 ( -1.957 3.763 -3.453) 5.469 5.722 ( 5.903 7.453 -0.848) 9.545 6.229 ( 13.339 -6.725 -20.916) 25.703 7.139 ( -3.466 0.230 2.414) 4.231 7.239 ( 15.583 0.305 -1.597) 15.667 7.927 ( 8.935 -14.294 9.287) 19.245 8.211 ( 1.486 -10.578 -4.081) 11.435 8.314 ( -3.614 -0.374 -3.580) 5.101 8.874 ( 2.432 -0.762 8.257) 8.641 9.048 ( -5.048 12.409 8.588) 15.913 10.372 ( -2.205 -9.893 -1.784) 10.292 10.734 ( 4.896 -4.636 -1.449) 6.897 11.129 ( -11.138 -19.035 -5.620) 22.759 11.198 ( 2.760 -0.651 0.339) 2.856 12.779 ( 3.170 6.464 16.412) 17.922 13.223 ( 6.492 10.722 -6.007) 13.899 13.732 ( -7.639 -13.257 -1.330) 15.358 14.996 ( 0.402 -7.872 -4.161) 8.914 15.205 ( 3.354 0.506 0.283) 3.404 15.377 ( 1.630 -5.375 1.156) 5.734 16.037 ( -4.373 25.483 3.554) 26.098 16.378 ( -10.540 10.336 -2.195) 14.924 19.208 ( -3.131 -10.028 -5.480) 11.849 20.106 ( 8.777 -1.478 -0.351) 8.907 20.569 ( -1.837 8.584 -0.853) 8.820 21.371 ( -6.067 14.309 8.374) 17.654 22.422 ( -2.450 -10.252 -2.373) 10.805 22.706 ( -5.481 -5.429 -3.782) 8.592 22.917 ( -0.465 4.567 0.708) 4.645 23.423 ( 6.898 10.472 1.437) 12.622 ======================= Grid point 91 (58/156) ======================= q-point: ( 0.05 -0.05 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( -13.866 -29.228 -0.000) 32.350 2.763 ( -29.766 -23.391 -0.000) 37.857 4.426 ( 6.624 7.118 0.000) 9.723 4.540 ( -28.082 3.040 0.000) 28.246 5.049 ( 8.101 3.030 0.000) 8.649 5.605 ( -11.946 -12.928 -0.000) 17.602 6.274 ( 2.695 10.516 0.000) 10.856 6.444 ( -18.379 -13.982 -0.000) 23.093 7.019 ( 21.328 -3.146 -0.000) 21.559 7.109 ( 15.243 25.464 0.000) 29.677 7.136 ( -11.137 -4.060 -0.000) 11.853 7.761 ( 12.099 11.189 0.000) 16.480 8.056 ( 3.581 -5.293 -0.000) 6.390 8.158 ( 1.735 -7.564 -0.000) 7.761 8.858 ( -5.224 15.278 0.000) 16.147 8.994 ( -9.899 -18.884 -0.000) 21.321 9.643 ( -1.346 -3.516 -0.000) 3.765 10.828 ( 14.524 -2.390 -0.000) 14.720 11.228 ( -1.662 -1.739 -0.000) 2.405 11.268 ( 5.181 -3.903 -0.000) 6.487 11.977 ( -24.601 7.823 0.000) 25.815 13.191 ( -0.398 -18.385 -0.000) 18.390 14.035 ( 10.384 0.169 0.000) 10.386 14.678 ( -11.658 1.661 0.000) 11.775 14.944 ( 0.719 -3.360 -0.000) 3.436 15.522 ( 0.204 1.848 0.000) 1.859 16.031 ( -0.004 4.295 0.000) 4.295 17.234 ( 18.232 17.826 0.000) 25.499 19.336 ( 15.917 -12.262 -0.000) 20.092 20.264 ( -3.430 -4.553 -0.000) 5.701 20.981 ( 10.676 13.398 0.000) 17.131 21.077 ( -16.393 14.040 0.000) 21.583 22.411 ( 4.879 -4.832 -0.000) 6.866 22.616 ( 4.891 0.035 0.000) 4.892 22.879 ( -3.424 0.396 0.000) 3.447 23.953 ( 1.936 6.919 0.000) 7.184 ======================= Grid point 93 (59/156) ======================= q-point: ( 0.05 0.35 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 18.780 -17.633 20.377) 32.846 2.476 ( 11.896 -25.504 25.069) 37.689 4.049 ( 6.387 -42.564 26.199) 50.387 4.609 ( -8.124 3.480 -6.674) 11.075 4.970 ( 8.075 1.302 -7.351) 10.997 5.134 ( 8.361 -8.677 1.633) 12.160 5.647 ( 5.417 -17.337 -10.428) 20.944 6.004 ( 3.710 -11.002 -5.146) 12.700 6.717 ( 3.642 -10.107 -11.648) 15.846 6.951 ( -6.163 -4.754 -17.555) 19.203 7.106 ( 8.888 4.342 -7.760) 12.572 7.768 ( -11.463 11.422 -7.133) 17.685 8.232 ( 3.736 3.703 -5.882) 7.891 8.570 ( 1.478 0.284 -8.415) 8.548 8.969 ( -4.421 14.172 -2.328) 15.027 9.123 ( -0.989 1.054 -2.519) 2.904 9.789 ( -1.605 10.407 23.075) 25.364 11.101 ( 1.738 6.533 2.330) 7.151 11.210 ( 0.064 1.999 1.191) 2.328 11.333 ( -3.528 4.699 1.979) 6.200 11.978 ( -1.594 -10.510 21.120) 23.645 12.688 ( 3.300 1.347 -5.621) 6.656 13.958 ( 6.187 -19.996 -17.794) 27.473 14.532 ( 5.095 2.629 12.027) 13.323 14.709 ( 0.746 -7.068 7.224) 10.134 15.886 ( -2.537 5.225 -15.842) 16.874 16.704 ( -14.467 27.334 28.874) 42.310 17.812 ( -11.572 16.103 -3.126) 20.074 19.429 ( 4.919 12.934 -1.403) 13.909 19.945 ( 0.602 -3.885 -8.695) 9.542 21.020 ( -7.848 -7.375 2.815) 11.131 21.646 ( -5.937 10.275 7.122) 13.840 22.289 ( 2.097 -0.205 -4.991) 5.417 22.726 ( 6.581 -0.134 1.488) 6.748 22.877 ( -1.566 -4.436 2.771) 5.460 23.397 ( 5.193 -16.556 -21.303) 27.475 ======================= Grid point 94 (60/156) ======================= q-point: ( 0.05 0.55 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.289 ( 19.816 -7.371 4.967) 21.718 3.380 ( 10.651 -17.512 6.421) 21.479 4.316 ( 1.395 0.191 4.843) 5.043 4.857 ( 11.977 0.291 14.172) 18.557 5.128 ( 7.634 5.316 -7.733) 12.097 5.475 ( -0.937 -9.635 -13.308) 16.456 5.809 ( 11.285 -6.894 -12.664) 18.310 6.107 ( -16.513 8.241 -6.374) 19.525 6.383 ( 10.757 2.752 -12.270) 16.549 6.848 ( 19.285 -6.551 1.622) 20.432 7.147 ( -0.331 2.739 6.204) 6.789 7.513 ( -2.407 10.135 0.955) 10.461 8.253 ( -2.399 -3.593 -2.879) 5.192 8.389 ( 2.791 -6.254 -20.099) 21.233 8.638 ( -4.157 -1.225 4.402) 6.177 9.126 ( -2.961 0.382 6.723) 7.356 9.983 ( -4.295 -13.626 18.643) 23.488 10.852 ( -5.551 4.271 -6.222) 9.369 11.108 ( -6.661 -12.111 -6.783) 15.397 11.192 ( -2.200 0.164 -1.292) 2.556 12.452 ( 0.750 3.313 27.511) 27.720 13.234 ( 18.520 11.163 -2.631) 21.783 13.740 ( -5.771 -11.688 -8.298) 15.452 14.851 ( 0.253 -5.479 6.230) 8.300 15.076 ( 9.216 -3.044 5.681) 11.246 15.391 ( -3.364 0.924 -17.621) 17.963 16.396 ( -15.370 11.675 15.637) 24.840 17.115 ( -15.406 21.219 -4.415) 26.591 19.379 ( -6.915 -2.216 -13.126) 15.000 19.934 ( 6.938 -0.384 -1.379) 7.084 20.705 ( -0.912 0.675 0.255) 1.163 21.507 ( -9.001 9.099 15.145) 19.829 22.407 ( 1.959 0.913 -3.730) 4.311 22.754 ( -5.048 -9.912 -4.135) 11.867 22.960 ( 1.908 3.556 2.765) 4.892 23.426 ( 9.254 3.182 -5.959) 11.458 ======================= Grid point 95 (61/156) ======================= q-point: ( 0.05 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.227 ( -11.493 -18.992 -5.414) 22.849 3.905 ( -3.441 -11.908 -4.011) 13.028 4.147 ( -3.579 -5.376 -10.288) 12.147 5.091 ( -9.571 17.623 1.378) 20.101 5.134 ( 2.227 -1.688 2.063) 3.473 5.746 ( -2.716 25.628 -1.327) 25.805 5.860 ( 12.013 19.058 6.630) 23.483 5.924 ( 23.344 -3.854 -3.091) 23.861 6.692 ( 8.217 16.625 -8.213) 20.283 7.038 ( -6.486 4.659 1.743) 8.174 7.421 ( 4.923 -7.809 -7.487) 11.886 7.717 ( 2.436 -15.722 12.026) 19.943 8.019 ( -9.179 -7.181 -1.576) 11.760 8.098 ( -4.646 -5.147 0.950) 6.998 8.852 ( 5.408 -7.801 5.394) 10.918 9.064 ( -3.098 0.498 8.514) 9.074 10.172 ( -2.366 -17.639 -7.850) 19.451 10.440 ( -5.922 -13.386 -7.390) 16.397 10.892 ( 10.662 1.569 -1.114) 10.834 11.170 ( 1.303 -3.806 1.853) 4.429 12.792 ( -10.802 7.020 13.105) 18.376 13.210 ( -10.410 -11.196 4.608) 15.967 13.754 ( 11.255 9.202 -11.050) 18.261 14.846 ( 0.120 -6.740 -1.914) 7.008 15.149 ( -5.669 -4.909 0.835) 7.545 15.369 ( 5.236 0.655 -1.753) 5.560 16.198 ( -6.422 3.511 4.825) 8.766 16.702 ( 3.173 23.544 -1.260) 23.790 19.001 ( 1.238 -7.119 -5.055) 8.819 20.219 ( 5.595 -4.148 1.140) 7.058 20.730 ( 1.283 8.348 -0.758) 8.480 21.519 ( -6.428 12.198 10.040) 17.056 22.278 ( 0.413 -3.306 -7.253) 7.982 22.530 ( 0.455 -4.362 -3.407) 5.553 22.985 ( -1.449 3.500 -0.025) 3.788 23.754 ( 5.302 8.143 4.415) 10.673 ======================= Grid point 96 (62/156) ======================= q-point: ( 0.05 -0.05 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( -22.393 -26.334 -0.000) 34.568 1.672 ( -32.801 -18.736 -0.000) 37.775 3.558 ( -64.486 -13.134 -0.000) 65.810 4.790 ( 10.307 9.091 0.000) 13.743 4.971 ( -7.238 -12.110 -0.000) 14.108 5.220 ( 2.908 2.605 0.000) 3.904 5.957 ( -20.407 -12.592 -0.000) 23.979 6.009 ( -13.168 0.350 -0.000) 13.173 7.011 ( 7.720 6.665 0.000) 10.199 7.416 ( 5.498 -5.237 -0.000) 7.593 7.672 ( -7.545 -8.228 -0.000) 11.163 7.873 ( 11.282 2.530 0.000) 11.562 8.286 ( 10.926 10.758 0.000) 15.333 8.288 ( 10.034 6.688 0.000) 12.059 8.663 ( 6.815 -8.970 -0.000) 11.265 9.141 ( 10.425 10.408 0.000) 14.731 9.614 ( 0.543 -2.532 -0.000) 2.590 11.047 ( 7.486 -0.952 -0.000) 7.546 11.146 ( -2.915 -3.162 -0.000) 4.301 11.209 ( -1.981 -2.813 -0.000) 3.441 11.722 ( -16.989 8.795 0.000) 19.131 12.867 ( -2.367 -8.356 -0.000) 8.685 14.188 ( 6.749 -0.991 -0.000) 6.822 14.479 ( -7.566 -0.374 -0.000) 7.575 14.953 ( 1.129 0.210 0.000) 1.148 15.478 ( -3.576 -1.184 -0.000) 3.767 16.186 ( 5.676 3.240 0.000) 6.536 17.893 ( 15.925 10.633 0.000) 19.148 19.464 ( 15.449 -6.719 -0.000) 16.847 20.132 ( -2.251 -2.179 -0.000) 3.133 20.973 ( -14.465 6.880 0.000) 16.018 21.460 ( 13.139 8.809 0.000) 15.818 22.405 ( 1.553 -2.360 -0.000) 2.825 22.755 ( -7.187 -1.893 -0.000) 7.432 22.756 ( 5.430 2.148 0.000) 5.839 24.049 ( -0.798 1.908 0.000) 2.068 ======================= Grid point 98 (63/156) ======================= q-point: ( 0.05 0.35 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 20.965 -22.274 18.268) 35.629 2.414 ( 31.415 -6.944 17.810) 36.774 3.911 ( 35.827 -8.690 32.740) 49.305 4.555 ( -7.963 7.430 -8.069) 13.555 5.098 ( 9.596 -10.806 0.612) 14.464 5.162 ( 8.467 -3.535 -12.341) 15.378 5.632 ( 14.921 -5.863 -9.342) 18.555 6.151 ( 19.718 1.488 -1.303) 19.817 6.572 ( 6.607 -11.903 -16.713) 21.556 6.732 ( -11.600 4.953 -12.869) 18.019 7.273 ( 5.404 -3.766 -6.759) 9.438 7.818 ( -8.430 11.765 -4.502) 15.157 8.181 ( -3.527 -5.167 -2.723) 6.823 8.707 ( 3.670 0.960 -21.230) 21.566 9.004 ( 3.791 -6.915 -2.797) 8.367 9.076 ( -19.509 11.668 -0.876) 22.748 9.615 ( -21.704 1.430 29.827) 36.916 11.070 ( -5.403 -1.707 1.918) 5.982 11.194 ( -3.663 -0.302 -2.212) 4.290 11.293 ( -4.899 2.565 0.188) 5.533 11.884 ( 5.221 0.654 26.896) 27.406 13.073 ( 14.812 0.353 -3.213) 15.161 13.757 ( 10.584 -8.260 -20.135) 24.201 14.579 ( -0.358 -5.515 9.071) 10.622 14.705 ( 8.372 -0.388 8.662) 12.052 15.877 ( -5.748 2.558 -15.973) 17.167 16.677 ( -28.189 14.163 29.308) 43.060 17.842 ( -14.732 11.609 -2.148) 18.879 19.735 ( -8.544 -9.713 -11.076) 17.030 19.868 ( 6.045 5.412 -3.788) 8.954 20.712 ( -1.189 4.548 3.562) 5.898 21.639 ( -11.756 7.115 10.155) 17.087 22.454 ( 5.525 4.295 -2.316) 7.372 22.644 ( -0.711 -11.824 -3.356) 12.312 22.885 ( 3.668 1.517 3.068) 5.017 23.402 ( 16.333 -5.020 -19.464) 25.900 ======================= Grid point 99 (64/156) ======================= q-point: ( 0.05 0.55 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.117 ( 2.441 -14.418 1.532) 14.704 3.589 ( 13.376 -5.213 -0.825) 14.380 4.360 ( -0.447 0.468 5.914) 5.949 4.909 ( -4.299 -3.973 -4.214) 7.213 5.414 ( 16.736 -5.901 -7.941) 19.441 5.719 ( 11.390 18.572 -8.856) 23.518 6.026 ( 3.124 14.496 1.657) 14.921 6.129 ( 9.839 8.706 -9.793) 16.386 6.696 ( 18.982 -10.696 0.865) 21.805 7.014 ( 0.472 3.831 5.477) 6.701 7.345 ( 11.340 3.656 2.392) 12.153 7.591 ( -9.015 7.078 -2.104) 11.653 8.050 ( -8.005 -7.942 4.883) 12.288 8.125 ( -16.629 -4.053 -4.583) 17.719 8.554 ( 3.604 -4.807 -6.034) 8.515 8.918 ( -2.411 -8.402 1.061) 8.805 9.722 ( 0.002 -8.238 17.174) 19.048 10.608 ( -12.216 -10.421 -12.000) 20.045 10.973 ( -0.383 6.700 -2.847) 7.290 11.081 ( -1.588 -2.832 -1.866) 3.745 12.599 ( 3.611 6.991 23.770) 25.038 13.203 ( -7.568 -16.085 -5.274) 18.542 13.936 ( 11.846 13.963 -7.081) 19.633 14.727 ( -1.235 -5.969 5.958) 8.524 15.116 ( 2.120 -4.520 0.908) 5.075 15.359 ( -0.812 0.981 -10.727) 10.802 16.280 ( -10.203 3.820 11.354) 15.735 17.222 ( -10.014 13.629 -1.411) 16.972 19.129 ( -6.985 -3.692 -9.448) 12.316 20.020 ( 4.551 -3.085 -0.095) 5.498 20.799 ( 1.850 3.539 -0.882) 4.090 21.571 ( -3.364 9.726 13.596) 17.052 22.429 ( -3.344 -7.295 -7.463) 10.959 22.535 ( 1.926 2.119 -4.316) 5.179 23.044 ( 0.405 2.021 1.885) 2.793 23.678 ( 7.318 2.647 -0.746) 7.817 ======================= Grid point 100 (65/156) ======================= q-point: ( 0.05 -0.25 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( -18.375 -8.280 -6.836) 21.282 3.195 ( -28.782 -10.891 -15.135) 34.294 4.249 ( 12.917 -1.845 -2.128) 13.220 5.089 ( -3.525 0.599 1.346) 3.821 5.279 ( -8.905 16.522 4.344) 19.266 5.914 ( -23.716 10.187 1.773) 25.872 6.262 ( 12.918 -5.111 -7.585) 15.828 6.665 ( 0.312 11.061 5.405) 12.315 6.727 ( -12.460 4.353 -0.909) 13.230 7.168 ( -9.829 -2.335 8.937) 13.488 7.178 ( 7.933 11.044 9.482) 16.578 7.481 ( 8.886 -10.133 4.944) 14.356 7.830 ( 7.444 -7.956 -8.379) 13.745 8.121 ( 7.899 4.168 -3.523) 9.601 8.708 ( -2.852 -7.561 2.209) 8.378 9.044 ( 6.170 -6.719 0.671) 9.147 9.479 ( -4.686 -22.485 -11.152) 25.532 10.573 ( 14.435 1.632 -2.003) 14.664 11.100 ( 4.084 1.857 -0.198) 4.491 11.157 ( 3.122 -1.319 3.777) 5.075 12.522 ( -18.480 -4.812 -1.974) 19.198 12.977 ( -5.221 6.712 14.398) 16.721 14.052 ( 5.182 3.436 -13.955) 15.277 14.722 ( -2.359 -5.019 8.807) 10.408 14.906 ( -6.600 -3.227 -3.691) 8.222 15.554 ( 9.080 1.862 -4.055) 10.118 16.098 ( -3.900 -1.421 -0.525) 4.184 17.247 ( 10.771 14.012 1.707) 17.756 19.002 ( 6.395 0.277 -2.313) 6.806 20.171 ( -0.174 -4.189 3.066) 5.194 20.959 ( 7.856 3.331 0.842) 8.575 21.523 ( -8.490 1.622 -0.630) 8.666 22.281 ( 2.390 1.982 -0.449) 3.137 22.568 ( 3.811 1.477 -3.019) 5.081 22.988 ( -3.233 1.302 -1.008) 3.628 23.941 ( 1.611 2.718 7.356) 8.006 ======================= Grid point 101 (66/156) ======================= q-point: ( 0.10 -0.10 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -35.982 0.016 -0.000) 35.982 1.558 ( -33.571 20.476 0.000) 39.323 3.279 ( -75.030 -12.577 -0.000) 76.077 4.869 ( 13.325 -1.875 -0.000) 13.456 4.913 ( -5.756 5.389 0.000) 7.885 5.353 ( -4.721 7.837 0.000) 9.149 5.771 ( -21.564 -3.142 -0.000) 21.791 6.119 ( -17.861 5.813 0.000) 18.783 7.026 ( 15.490 -5.396 -0.000) 16.403 7.369 ( -9.293 -9.734 -0.000) 13.458 7.409 ( -1.332 5.497 0.000) 5.656 7.937 ( 17.168 -0.314 0.000) 17.171 8.206 ( 15.791 -8.244 -0.000) 17.813 8.373 ( 6.631 0.965 0.000) 6.701 8.882 ( 2.880 20.767 0.000) 20.966 9.217 ( 19.411 -3.777 -0.000) 19.775 9.447 ( 3.551 -13.076 -0.000) 13.550 11.034 ( -2.212 -3.098 -0.000) 3.807 11.061 ( 5.058 2.433 0.000) 5.613 11.256 ( -4.640 3.669 0.000) 5.915 11.663 ( -10.126 -12.703 -0.000) 16.245 12.981 ( -10.029 14.448 0.000) 17.588 14.201 ( 5.678 2.326 0.000) 6.136 14.453 ( -5.905 -2.208 -0.000) 6.304 14.951 ( 1.494 -0.300 -0.000) 1.523 15.429 ( -2.575 -2.732 -0.000) 3.754 16.215 ( 6.760 -0.446 -0.000) 6.775 18.013 ( 14.942 0.481 0.000) 14.950 19.524 ( 10.637 13.158 0.000) 16.920 20.105 ( -1.382 -0.334 -0.000) 1.422 20.919 ( -9.531 -12.597 -0.000) 15.796 21.537 ( 15.422 -1.528 -0.000) 15.498 22.411 ( -0.592 2.823 0.000) 2.885 22.726 ( -8.596 -0.760 -0.000) 8.629 22.794 ( 4.709 1.104 0.000) 4.837 24.063 ( -0.917 -0.697 -0.000) 1.152 ======================= Grid point 102 (67/156) ======================= q-point: ( 0.10 0.10 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( -0.000 -0.000 34.762) 34.762 0.664 ( -0.000 -0.000 34.762) 34.762 1.398 ( -0.000 -0.000 72.949) 72.949 4.812 ( -0.000 -0.000 1.621) 1.621 5.079 ( 0.000 0.000 -9.944) 9.944 5.079 ( 0.000 0.000 -9.944) 9.944 5.429 ( 0.000 0.000 -3.440) 3.440 5.717 ( -0.000 -0.000 2.294) 2.294 5.717 ( -0.000 -0.000 2.294) 2.294 7.272 ( 0.000 0.000 -9.807) 9.807 7.272 ( 0.000 0.000 -9.807) 9.807 8.424 ( -0.000 -0.000 6.379) 6.379 8.497 ( 0.000 0.000 -10.839) 10.839 8.497 ( 0.000 0.000 -10.839) 10.839 8.893 ( 0.000 0.000 -11.243) 11.243 9.808 ( 0.000 0.000 -4.532) 4.532 10.932 ( -0.000 -0.000 0.618) 0.618 11.070 ( -0.000 -0.000 6.546) 6.546 11.070 ( -0.000 -0.000 6.546) 6.546 11.252 ( -0.000 -0.000 19.008) 19.008 11.557 ( 0.000 0.000 -1.393) 1.393 12.722 ( 0.000 0.000 -1.792) 1.792 12.722 ( 0.000 0.000 -1.792) 1.792 14.395 ( -0.000 -0.000 6.665) 6.665 14.395 ( -0.000 -0.000 6.665) 6.665 16.289 ( 0.000 0.000 -8.775) 8.775 18.350 ( 0.000 0.000 -2.141) 2.141 18.817 ( 0.000 0.000 -2.739) 2.739 19.796 ( 0.000 0.000 -1.145) 1.145 19.796 ( 0.000 0.000 -1.145) 1.145 20.708 ( -0.000 -0.000 4.165) 4.165 21.754 ( 0.000 0.000 -2.307) 2.307 22.063 ( -0.000 -0.000 3.485) 3.485 22.394 ( -0.000 -0.000 0.877) 0.877 22.394 ( -0.000 -0.000 0.877) 0.877 22.905 ( 0.000 0.000 -1.159) 1.159 ======================= Grid point 103 (68/156) ======================= q-point: ( 0.10 0.30 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 22.949 -9.302 20.391) 32.077 2.341 ( 28.239 1.006 24.944) 37.692 3.912 ( 51.099 6.278 33.998) 61.696 4.695 ( -8.983 3.509 -7.770) 12.384 4.893 ( 6.587 -5.544 -5.319) 10.120 5.090 ( 5.889 -2.486 -8.446) 10.592 5.582 ( 17.938 0.641 -7.092) 19.300 6.093 ( 11.851 -9.299 -6.164) 16.276 6.522 ( 19.066 10.196 -12.605) 25.027 6.898 ( -9.113 9.285 -9.296) 15.990 7.128 ( 4.820 -8.472 -9.688) 13.743 7.958 ( -7.374 -3.763 -4.818) 9.579 8.118 ( -6.552 4.195 -9.173) 12.028 8.624 ( 1.088 -6.414 -16.813) 18.028 8.958 ( 3.165 2.263 -7.071) 8.071 9.184 ( -18.511 -1.431 3.004) 18.807 9.731 ( -23.367 6.829 26.157) 35.733 11.050 ( -7.820 1.228 3.879) 8.815 11.219 ( -2.808 0.307 1.965) 3.441 11.338 ( -7.322 2.203 -1.064) 7.720 11.935 ( 8.994 3.883 23.460) 25.424 12.868 ( 6.651 -16.041 -3.684) 17.752 13.786 ( 22.798 8.433 -19.672) 31.271 14.498 ( -2.194 -1.679 11.331) 11.663 14.703 ( 6.862 0.022 8.111) 10.624 15.908 ( -5.766 0.317 -16.348) 17.338 16.857 ( -35.511 1.223 30.106) 46.571 17.955 ( -14.990 -1.162 -1.546) 15.114 19.478 ( -10.248 -10.192 -2.600) 14.685 19.928 ( 2.790 1.081 -7.503) 8.077 20.959 ( 3.102 13.145 2.592) 13.752 21.715 ( -10.380 -0.338 7.324) 12.708 22.376 ( 0.986 -10.371 -5.418) 11.743 22.582 ( 4.280 6.612 -2.099) 8.151 22.897 ( 3.881 -0.293 2.670) 4.720 23.341 ( 22.093 -0.236 -20.026) 29.819 ======================= Grid point 104 (69/156) ======================= q-point: ( 0.10 0.50 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( 7.285 -1.420 9.706) 12.219 3.548 ( 11.108 2.234 3.336) 11.812 4.407 ( -4.416 3.908 4.735) 7.563 4.857 ( -4.886 -0.744 -6.942) 8.522 5.247 ( 18.666 -9.208 -9.023) 22.685 6.071 ( -3.814 10.419 -14.317) 18.114 6.169 ( 27.856 0.411 -9.689) 29.496 6.398 ( 24.667 -4.141 6.160) 25.759 6.455 ( 9.475 13.300 6.683) 17.645 7.066 ( -1.803 -2.659 0.954) 3.352 7.297 ( 10.934 -10.993 0.766) 15.524 7.602 ( -11.061 -7.463 2.085) 13.506 7.803 ( -2.547 -5.319 -1.437) 6.070 8.212 ( -20.691 6.118 1.557) 21.632 8.510 ( 2.446 -0.705 -7.023) 7.470 8.840 ( -2.065 2.440 -5.158) 6.068 9.709 ( -9.455 8.483 13.684) 18.670 10.478 ( -10.785 -2.451 -6.839) 13.004 10.988 ( -3.238 -2.525 -1.866) 4.510 11.164 ( -0.432 7.815 0.884) 7.877 12.742 ( 7.771 6.579 22.113) 24.345 12.857 ( -4.648 -17.296 -5.596) 18.764 14.198 ( 10.534 10.915 -7.270) 16.821 14.615 ( -3.825 -4.416 7.351) 9.390 15.052 ( 2.255 -1.455 0.504) 2.730 15.379 ( -1.283 0.906 -10.521) 10.638 16.303 ( -11.963 -1.758 7.570) 14.266 17.359 ( -9.237 -0.858 0.114) 9.277 19.089 ( -4.334 0.198 -2.332) 4.926 19.970 ( 4.286 -1.270 -2.473) 5.109 20.891 ( -3.256 4.980 -0.576) 5.978 21.643 ( -2.890 -5.184 3.131) 6.710 22.317 ( 1.297 0.264 -2.037) 2.429 22.623 ( -0.219 4.511 -0.502) 4.544 23.064 ( 0.487 -0.042 1.965) 2.025 23.680 ( 8.398 -2.388 -3.870) 9.550 ======================= Grid point 105 (70/156) ======================= q-point: ( 0.10 -0.30 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( -19.358 14.130 -2.345) 24.080 3.101 ( -29.651 2.686 -16.698) 34.136 4.231 ( 13.541 0.208 0.524) 13.553 5.042 ( -0.954 -5.485 0.989) 5.655 5.557 ( -10.882 9.278 6.272) 15.615 6.001 ( -31.476 -1.423 -5.166) 31.929 6.102 ( 11.045 -8.956 -6.025) 15.444 6.779 ( -14.369 0.110 14.715) 20.567 6.874 ( -17.894 9.928 9.211) 22.441 7.179 ( 11.788 -7.919 -0.245) 14.203 7.208 ( 2.901 -3.747 9.301) 10.438 7.515 ( 12.851 15.463 -3.505) 20.409 7.677 ( 5.862 -4.400 -4.788) 8.755 8.154 ( 5.221 0.462 -3.674) 6.401 8.737 ( 2.155 6.318 1.031) 6.755 8.820 ( 7.425 -11.496 -12.611) 18.609 9.068 ( 2.933 -14.692 -3.219) 15.324 10.653 ( 12.585 6.187 -0.832) 14.048 11.127 ( 3.130 0.208 1.016) 3.297 11.186 ( -0.087 3.994 5.971) 7.184 12.321 ( -15.675 -12.223 -3.069) 20.113 13.252 ( -3.746 16.489 14.506) 22.279 14.113 ( 1.134 2.607 -14.954) 15.221 14.603 ( -2.458 -6.459 11.020) 13.008 14.886 ( -4.749 1.548 -4.170) 6.507 15.579 ( 9.086 0.586 -5.712) 10.748 16.020 ( -2.320 -6.017 -1.923) 6.730 17.412 ( 10.012 1.450 1.738) 10.264 19.124 ( 6.836 11.420 -0.120) 13.310 20.111 ( 0.309 -1.568 3.374) 3.734 20.950 ( 6.576 -3.483 2.387) 7.815 21.399 ( -5.959 -12.848 -6.911) 15.759 22.392 ( 1.618 7.817 0.451) 7.996 22.625 ( 1.590 3.352 0.411) 3.733 23.000 ( -3.719 -0.196 -1.068) 3.875 23.938 ( 2.307 -2.898 6.543) 7.519 ======================= Grid point 112 (71/156) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 20.532 28.594 14.204) 37.959 2.451 ( 15.385 31.020 12.661) 36.867 3.964 ( 31.887 17.813 9.783) 37.812 4.526 ( -7.378 -9.706 -4.735) 13.079 5.202 ( -7.462 4.303 -3.252) 9.207 5.343 ( 13.239 16.819 2.227) 21.520 6.029 ( 9.651 11.795 -9.387) 17.899 6.272 ( 11.764 13.826 2.488) 18.324 6.730 ( 1.321 -8.289 -10.412) 13.374 7.337 ( -12.530 -9.459 -8.637) 17.919 7.493 ( 12.824 2.381 -29.717) 32.454 7.553 ( -16.569 -8.728 1.271) 18.770 8.123 ( -1.457 -8.044 10.331) 13.174 8.501 ( -12.380 -3.551 14.090) 19.090 8.822 ( -10.351 -8.983 0.439) 13.713 9.085 ( 4.236 2.905 12.549) 13.560 9.512 ( 9.438 -6.050 -4.235) 11.984 11.122 ( -2.920 -2.603 -1.446) 4.171 11.143 ( -4.646 4.934 1.300) 6.901 11.319 ( 2.207 1.983 -1.161) 3.186 11.604 ( 14.717 -3.788 11.123) 18.833 13.112 ( -3.866 19.563 -8.477) 21.668 14.234 ( 0.194 -2.096 -5.157) 5.570 14.484 ( 4.491 0.987 4.815) 6.658 14.758 ( 7.555 8.120 -7.027) 13.130 15.839 ( -8.423 -9.240 25.184) 28.117 16.028 ( -2.713 -6.515 -4.570) 8.408 17.585 ( -17.539 -15.904 -2.504) 23.808 19.676 ( -17.734 13.233 -2.980) 22.327 20.105 ( 6.204 -0.029 -7.482) 9.720 20.751 ( 12.996 -12.447 2.373) 18.151 21.283 ( -9.868 -13.690 7.255) 18.369 22.448 ( -2.709 4.679 -3.206) 6.286 22.758 ( -3.450 -0.526 3.656) 5.054 22.812 ( 4.410 2.094 1.136) 5.013 23.840 ( 1.243 -0.622 -14.314) 14.381 ======================= Grid point 113 (72/156) ======================= q-point: ( 0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.133 ( 13.563 19.434 11.879) 26.509 3.765 ( 19.930 15.522 11.617) 27.805 4.383 ( -1.570 -0.906 8.376) 8.570 4.899 ( 1.887 -11.491 -3.042) 12.035 5.017 ( 9.931 -1.767 -2.763) 10.459 5.611 ( 3.231 -9.309 -3.526) 10.466 6.129 ( -16.464 -24.625 0.187) 29.623 6.383 ( -15.033 -9.100 -6.708) 18.809 6.742 ( 12.405 -0.118 -4.956) 13.359 6.876 ( -0.517 2.460 3.972) 4.701 7.182 ( 17.889 10.109 -14.463) 25.127 7.546 ( 8.979 10.289 -1.771) 13.771 8.135 ( -8.834 7.714 -1.948) 11.888 8.180 ( -10.703 4.295 11.818) 16.512 8.684 ( 3.431 -5.946 -0.021) 6.865 8.969 ( -7.046 0.321 -13.088) 14.867 10.250 ( 15.374 19.829 17.012) 30.314 10.657 ( -15.775 4.493 2.139) 16.542 11.021 ( -3.025 0.797 -6.634) 7.335 11.240 ( -5.466 3.554 6.166) 8.973 12.428 ( 7.590 -6.564 -4.014) 10.807 12.888 ( 11.059 11.269 -3.583) 16.190 14.162 ( -7.123 -6.491 6.890) 11.847 14.742 ( 4.676 6.904 -0.885) 8.385 15.075 ( 6.764 4.992 4.212) 9.403 15.516 ( -7.609 -2.319 -2.787) 8.429 16.057 ( -1.209 -5.506 -1.326) 5.791 16.851 ( -10.595 -19.906 -1.137) 22.579 19.168 ( -4.722 7.940 4.901) 10.458 20.189 ( 3.240 5.693 -6.109) 8.957 20.796 ( -4.387 -12.692 -0.202) 13.431 21.303 ( -0.896 -10.074 -3.814) 10.809 22.387 ( 2.250 4.074 5.935) 7.542 22.665 ( -3.966 1.821 4.861) 6.532 22.975 ( 1.032 -2.289 1.643) 3.000 23.654 ( 1.028 -7.138 -10.825) 13.007 ======================= Grid point 114 (73/156) ======================= q-point: ( 0.10 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.520 ( -11.095 21.176 0.029) 23.907 3.726 ( -22.743 5.274 -0.641) 23.356 4.233 ( -1.380 0.684 -5.160) 5.385 4.848 ( -7.084 -1.199 -9.251) 11.713 5.350 ( -0.277 -16.391 3.898) 16.851 5.709 ( 13.459 -11.767 1.072) 17.910 5.845 ( -10.648 0.803 11.899) 15.988 6.201 ( 10.731 -15.926 8.702) 21.083 6.807 ( -4.599 1.590 1.898) 5.223 7.049 ( -3.560 10.766 9.284) 14.655 7.232 ( -7.438 -3.052 -0.739) 8.074 7.420 ( -6.091 -2.941 -0.459) 6.780 8.064 ( 4.425 7.255 -9.627) 12.842 8.330 ( 12.495 7.124 -3.251) 14.746 8.656 ( 4.214 -4.284 -6.745) 9.033 8.952 ( 6.371 -0.749 8.936) 11.000 9.730 ( -14.163 25.501 -16.983) 33.754 10.962 ( 0.381 -3.821 6.100) 7.208 11.096 ( 9.111 11.258 7.407) 16.267 11.203 ( -1.340 5.710 4.601) 7.454 12.097 ( -6.539 -3.825 -16.069) 17.765 13.637 ( 5.009 12.821 8.717) 16.292 13.815 ( -9.535 -13.302 10.520) 19.456 14.697 ( -0.250 5.469 -9.472) 10.941 15.148 ( -6.524 5.166 -4.600) 9.509 15.560 ( 5.899 -1.290 10.300) 11.939 15.874 ( 5.531 -7.150 -15.936) 18.321 16.922 ( 10.315 -19.660 3.557) 22.484 19.496 ( 9.194 6.870 15.350) 19.166 20.075 ( -5.226 2.032 0.158) 5.609 20.752 ( -3.012 -3.523 1.025) 4.747 21.010 ( 5.620 -11.917 -18.130) 22.412 22.543 ( -2.824 -1.119 4.644) 5.549 22.729 ( 2.535 5.708 1.979) 6.551 22.953 ( -1.982 -3.253 -1.464) 4.081 23.598 ( 1.414 -7.614 2.986) 8.300 ======================= Grid point 116 (74/156) ======================= q-point: ( 0.10 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 14.967 33.848 0.000) 37.009 2.722 ( 25.710 26.737 0.000) 37.093 4.297 ( -11.036 41.470 0.000) 42.913 4.524 ( -4.063 -11.229 -0.000) 11.942 5.385 ( 14.841 19.794 0.000) 24.740 5.505 ( -4.948 6.971 0.000) 8.549 6.211 ( -2.073 -0.926 -0.000) 2.270 6.562 ( -3.707 23.157 0.000) 23.452 6.714 ( 8.372 7.287 0.000) 11.099 7.263 ( -16.513 -23.017 -0.000) 28.328 7.579 ( 7.738 -1.152 -0.000) 7.823 7.713 ( 0.063 -16.832 -0.000) 16.832 7.920 ( 20.411 15.738 0.000) 25.774 8.089 ( -9.880 -13.990 -0.000) 17.127 8.583 ( -10.899 -19.811 -0.000) 22.612 8.965 ( -5.530 -10.863 -0.000) 12.190 9.254 ( 11.041 -5.214 -0.000) 12.211 11.004 ( 8.155 -9.460 -0.000) 12.490 11.152 ( 4.353 5.968 0.000) 7.387 11.338 ( 1.589 -2.030 -0.000) 2.577 11.669 ( -13.203 17.019 0.000) 21.539 13.519 ( 11.225 15.421 0.000) 19.073 14.156 ( 5.841 -8.266 -0.000) 10.122 14.489 ( -6.861 5.335 0.000) 8.691 14.921 ( 2.143 -0.925 -0.000) 2.334 15.431 ( -1.120 1.382 0.000) 1.779 16.009 ( -3.956 -8.128 -0.000) 9.040 17.589 ( -11.044 -15.003 -0.000) 18.630 19.694 ( 21.660 -10.474 -0.000) 24.060 20.157 ( 2.663 1.237 0.000) 2.936 20.721 ( -22.420 8.898 0.000) 24.121 21.115 ( -7.977 -13.823 -0.000) 15.960 22.521 ( 4.695 1.572 0.000) 4.951 22.731 ( -0.156 -2.039 -0.000) 2.045 22.865 ( -0.690 5.762 0.000) 5.803 23.987 ( -4.916 -3.354 -0.000) 5.952 ======================= Grid point 117 (75/156) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.208 ( 6.855 25.361 3.681) 26.528 3.419 ( 24.281 23.870 12.431) 36.248 4.260 ( -3.087 -5.203 -2.625) 6.595 4.653 ( 14.773 8.150 4.471) 17.454 5.039 ( -15.003 1.224 -1.139) 15.096 5.744 ( -3.727 2.783 -3.011) 5.541 5.931 ( -9.926 -19.091 -0.360) 21.520 6.473 ( -11.348 -24.793 -6.182) 27.959 6.751 ( 6.607 10.264 -1.838) 12.344 7.038 ( -18.096 0.010 2.050) 18.211 7.214 ( 17.632 16.206 -8.459) 25.398 7.730 ( 11.314 5.562 -9.965) 16.070 8.032 ( 4.431 -6.232 5.999) 9.719 8.367 ( -7.252 1.895 7.917) 10.903 8.456 ( -2.712 -11.862 -0.000) 12.168 9.284 ( 0.355 0.173 -6.703) 6.715 9.786 ( 24.326 6.983 12.745) 28.336 10.912 ( -11.636 3.182 -2.487) 12.317 11.273 ( 0.575 5.047 -3.582) 6.215 11.314 ( -3.846 -0.051 3.001) 4.879 11.931 ( 20.817 -0.964 5.763) 21.622 13.444 ( -5.368 20.433 -14.791) 25.789 14.095 ( -6.212 -4.281 3.289) 8.230 14.604 ( 8.553 -3.138 4.340) 10.091 15.043 ( 5.153 7.890 0.198) 9.426 15.563 ( -6.147 -5.085 7.239) 10.772 15.894 ( 3.432 -6.946 -1.230) 7.844 16.844 ( -20.037 -16.672 -2.363) 26.173 19.600 ( -15.767 13.432 -3.418) 20.993 20.251 ( 8.546 -2.448 -7.046) 11.343 20.677 ( -4.744 -7.077 -1.008) 8.579 20.877 ( 5.726 -16.060 10.747) 20.155 22.493 ( -2.565 5.869 -2.777) 6.981 22.695 ( -3.659 1.853 4.979) 6.451 22.882 ( 1.016 -0.462 0.990) 1.492 23.706 ( -3.944 -8.624 -7.075) 11.831 ======================= Grid point 118 (76/156) ======================= q-point: ( 0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.729 ( 9.077 14.071 7.640) 18.406 4.089 ( -13.093 1.113 0.898) 13.171 4.446 ( 6.869 0.277 7.814) 10.408 4.684 ( 7.658 -16.428 -3.610) 18.482 5.124 ( 0.233 -2.477 -9.941) 10.248 5.294 ( -4.653 -10.198 7.976) 13.757 5.525 ( 2.824 -7.070 4.126) 8.660 5.891 ( -9.430 -10.026 -2.829) 14.051 6.825 ( -5.374 5.935 14.676) 16.718 7.005 ( 5.548 4.004 0.196) 6.845 7.508 ( -6.558 4.637 -14.339) 16.436 7.898 ( -5.201 12.950 2.499) 14.178 8.222 ( 0.141 5.165 4.668) 6.963 8.261 ( 7.724 9.343 0.183) 12.123 8.566 ( 9.947 -15.329 -5.893) 19.200 8.869 ( -4.886 -0.309 -12.864) 13.764 10.507 ( -7.595 7.705 5.124) 11.971 10.837 ( 1.032 -1.019 1.372) 1.997 11.032 ( 5.208 14.963 1.550) 15.919 11.281 ( -1.898 6.825 5.667) 9.072 12.462 ( 0.331 3.626 -13.068) 13.565 13.337 ( 12.025 -0.845 2.179) 12.250 13.838 ( -11.929 2.668 7.851) 14.528 14.908 ( 3.055 1.286 -4.367) 5.482 15.297 ( 4.027 3.937 4.657) 7.308 15.386 ( -2.612 -0.161 0.811) 2.740 15.895 ( -1.461 -9.221 -9.992) 13.675 16.325 ( 0.213 -17.600 4.050) 18.061 19.312 ( 0.332 9.666 7.521) 12.252 20.273 ( -8.209 1.070 -0.785) 8.316 20.512 ( 6.201 -10.423 -1.697) 12.246 21.086 ( 0.726 -9.413 -8.292) 12.566 22.511 ( -0.904 6.024 5.830) 8.431 22.687 ( 2.719 3.112 3.919) 5.695 22.912 ( -0.731 -3.775 0.469) 3.874 23.443 ( -1.772 -11.314 -5.940) 12.901 ======================= Grid point 119 (77/156) ======================= q-point: ( 0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.306 ( -21.428 7.293 -6.243) 23.480 3.657 ( -17.700 22.245 -10.252) 30.220 4.243 ( 4.501 0.080 -2.268) 5.041 4.767 ( -7.879 11.143 -6.999) 15.337 5.010 ( -1.121 -13.545 1.945) 13.730 5.669 ( -0.826 -5.415 4.776) 7.267 5.930 ( 18.624 -8.402 -0.028) 20.432 6.234 ( 13.464 -4.495 16.257) 21.582 6.742 ( -2.811 -1.634 2.187) 3.919 7.007 ( -17.981 16.221 9.569) 26.038 7.098 ( -0.844 -6.272 5.698) 8.516 7.453 ( -6.001 14.659 3.497) 16.221 8.268 ( 4.260 2.849 -8.352) 9.799 8.438 ( -2.267 -5.952 -6.531) 9.122 8.604 ( 4.638 -8.357 -8.674) 12.907 9.026 ( 4.531 -3.022 15.926) 16.831 10.086 ( -6.450 24.006 -15.674) 29.386 10.862 ( 3.652 -7.109 2.627) 8.413 11.190 ( -5.552 -2.140 4.461) 7.437 11.363 ( -0.286 1.519 -1.380) 2.072 12.110 ( 0.166 12.420 -13.344) 18.230 13.176 ( -19.184 -7.036 12.223) 23.810 14.069 ( 8.113 4.184 4.611) 10.227 14.754 ( -1.776 2.608 -10.107) 10.588 15.077 ( -8.777 5.786 -3.126) 10.968 15.588 ( 4.733 -6.067 6.392) 10.003 15.951 ( 8.885 -2.847 -7.888) 12.218 16.783 ( 16.381 -19.191 3.763) 25.511 19.511 ( -7.365 -8.955 5.638) 12.893 20.111 ( 0.338 9.147 7.153) 11.616 20.662 ( 5.758 -5.359 0.697) 7.897 21.102 ( 12.233 -1.751 -12.229) 17.386 22.454 ( -4.479 0.326 1.165) 4.639 22.789 ( -1.317 -3.897 -4.634) 6.196 22.906 ( 1.502 1.774 -1.354) 2.690 23.532 ( 4.416 -2.846 10.353) 11.610 ======================= Grid point 121 (78/156) ======================= q-point: ( 0.10 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.396 ( 20.168 30.022 0.000) 36.167 3.616 ( 10.882 22.951 0.000) 25.400 4.313 ( -1.140 -3.704 -0.000) 3.876 4.642 ( -2.035 9.173 0.000) 9.396 5.418 ( -16.342 -0.871 -0.000) 16.365 5.730 ( -7.265 -14.593 -0.000) 16.301 6.005 ( 0.673 15.673 0.000) 15.687 6.226 ( -23.983 -28.704 -0.000) 37.404 6.958 ( -0.080 5.777 0.000) 5.777 7.364 ( -18.922 -7.303 -0.000) 20.282 7.452 ( 8.025 -0.370 0.000) 8.033 7.459 ( 9.986 16.482 0.000) 19.271 7.641 ( 12.192 -12.943 -0.000) 17.781 8.291 ( 6.403 -5.014 -0.000) 8.133 8.372 ( -8.343 -3.385 -0.000) 9.004 9.180 ( 18.672 14.028 0.000) 23.355 9.313 ( 17.940 -2.579 -0.000) 18.125 11.059 ( 10.128 -4.634 -0.000) 11.137 11.188 ( 0.727 -9.929 -0.000) 9.956 11.424 ( 1.431 8.485 0.000) 8.605 11.779 ( -5.703 12.943 0.000) 14.144 14.008 ( 0.733 -14.729 -0.000) 14.747 14.083 ( 8.160 20.250 0.000) 21.832 14.384 ( -6.491 0.078 -0.000) 6.492 15.055 ( 6.269 3.684 0.000) 7.272 15.423 ( -1.238 -0.449 -0.000) 1.317 15.760 ( -3.485 -7.463 -0.000) 8.237 16.997 ( -19.012 -10.655 -0.000) 21.794 19.933 ( 21.393 -9.990 -0.000) 23.611 20.166 ( 0.245 -8.418 -0.000) 8.422 20.427 ( -22.628 8.779 0.000) 24.271 20.783 ( -5.156 -0.015 -0.000) 5.156 22.652 ( 3.387 3.270 0.000) 4.708 22.708 ( -1.421 1.425 0.000) 2.013 22.927 ( -2.358 3.449 0.000) 4.178 23.710 ( -8.792 -9.782 -0.000) 13.153 ======================= Grid point 122 (79/156) ======================= q-point: ( 0.10 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.714 ( 4.537 13.555 2.344) 14.485 4.129 ( -1.720 -0.533 2.893) 3.408 4.249 ( 6.196 8.984 -0.039) 10.913 4.613 ( -10.393 -4.436 -2.027) 11.480 4.849 ( -0.516 -10.878 4.706) 11.864 5.368 ( -6.736 -1.450 3.201) 7.598 5.531 ( -5.111 -2.881 -1.940) 6.180 5.864 ( -9.120 -14.641 -1.405) 17.307 6.866 ( -4.448 7.325 7.692) 11.516 7.028 ( 4.304 4.053 -1.824) 6.186 7.811 ( -0.344 9.440 2.661) 9.814 7.935 ( 5.342 -13.758 -0.754) 14.778 8.159 ( 4.625 -1.861 1.199) 5.127 8.194 ( 12.542 6.001 -6.843) 15.496 8.445 ( 2.373 7.968 -1.027) 8.377 9.119 ( -5.166 -8.283 -9.482) 13.609 10.473 ( 14.268 9.750 8.262) 19.155 10.839 ( -2.755 4.223 -7.722) 9.222 11.162 ( -2.486 -0.810 5.918) 6.470 11.398 ( -2.674 5.493 0.739) 6.154 12.380 ( 21.181 2.627 1.729) 21.413 13.457 ( -15.618 -3.533 -7.637) 17.740 14.088 ( -1.283 17.104 -1.164) 17.191 14.670 ( 8.362 -9.023 3.836) 12.886 15.263 ( 2.193 4.342 2.146) 5.317 15.373 ( -3.250 -3.375 2.654) 5.385 15.851 ( 6.089 -7.298 -2.174) 9.750 16.175 ( -16.903 -8.491 -0.816) 18.934 19.608 ( -9.019 12.951 -2.183) 15.932 20.127 ( -1.695 -16.025 0.629) 16.127 20.565 ( -0.551 5.548 -3.309) 6.483 20.778 ( 7.109 -10.740 4.670) 13.700 22.615 ( 1.642 6.643 -0.906) 6.902 22.704 ( -2.590 6.252 3.313) 7.535 22.851 ( -1.268 -1.665 0.427) 2.136 23.365 ( -5.737 -13.680 -3.637) 15.274 ======================= Grid point 123 (80/156) ======================= q-point: ( 0.10 -0.70 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.837 ( -8.212 7.931 -3.549) 11.956 4.093 ( 3.954 6.502 1.087) 7.687 4.422 ( 1.092 -3.859 -3.025) 5.024 4.465 ( 12.719 -17.759 4.265) 22.256 5.034 ( -4.639 0.746 -4.602) 6.577 5.453 ( 9.107 -1.364 1.792) 9.381 5.551 ( -2.391 -4.438 0.768) 5.100 5.585 ( 7.288 -1.906 7.330) 10.511 6.897 ( -8.684 12.250 17.134) 22.783 7.152 ( -3.575 7.223 -5.356) 9.677 7.271 ( -13.118 2.272 7.221) 15.146 8.085 ( -6.836 11.821 -4.379) 14.340 8.261 ( 8.600 -3.097 -4.644) 10.253 8.442 ( 4.511 -12.184 -8.586) 15.573 8.571 ( 3.423 3.501 6.485) 8.126 8.680 ( -7.332 -5.720 -8.199) 12.397 10.618 ( 1.257 6.156 3.187) 7.045 10.784 ( 0.749 1.641 -4.218) 4.587 11.201 ( -8.395 0.434 1.876) 8.613 11.450 ( 2.487 4.590 0.295) 5.229 12.533 ( -8.911 4.118 -5.958) 11.483 13.176 ( -1.808 -3.032 4.216) 5.499 14.015 ( 0.491 10.187 1.225) 10.272 14.918 ( 4.096 -6.819 -8.529) 11.663 15.298 ( -3.424 1.055 4.617) 5.844 15.430 ( 1.720 0.484 -1.586) 2.389 15.694 ( 0.320 -5.798 5.641) 8.096 16.183 ( 10.749 -8.500 -1.746) 13.815 19.493 ( -2.825 6.755 3.127) 7.962 20.129 ( 4.795 -2.154 0.582) 5.289 20.448 ( -4.198 -2.555 2.442) 5.488 20.993 ( 6.988 -8.203 -5.551) 12.122 22.624 ( -2.613 8.029 -1.132) 8.519 22.791 ( -0.908 -3.184 -0.812) 3.409 22.875 ( 4.962 1.924 0.593) 5.355 23.204 ( 2.725 -8.902 2.309) 9.591 ======================= Grid point 126 (81/156) ======================= q-point: ( 0.10 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.100 ( -3.451 16.630 0.000) 16.985 4.262 ( -0.149 -0.455 -0.000) 0.478 4.348 ( 12.300 22.428 0.000) 25.580 4.518 ( -7.316 -16.387 -0.000) 17.946 4.795 ( -14.277 -9.845 -0.000) 17.342 5.393 ( -7.981 -9.021 -0.000) 12.045 5.561 ( -5.501 1.775 0.000) 5.780 5.910 ( -17.003 -5.283 -0.000) 17.804 6.799 ( 4.209 -17.457 -0.000) 17.957 6.973 ( -1.262 -2.269 -0.000) 2.597 7.424 ( 6.331 -14.464 -0.000) 15.789 7.997 ( 16.552 11.390 0.000) 20.092 8.029 ( 9.424 1.697 0.000) 9.576 8.206 ( -8.224 10.976 0.000) 13.715 8.564 ( 10.835 11.509 0.000) 15.807 9.038 ( -0.334 -14.181 -0.000) 14.185 10.309 ( 20.732 21.535 0.000) 29.893 10.925 ( -2.071 -13.377 -0.000) 13.537 11.119 ( 0.924 -0.926 -0.000) 1.309 11.557 ( -3.132 4.154 0.000) 5.202 12.059 ( 13.441 8.637 0.000) 15.977 13.603 ( -8.386 -14.702 -0.000) 16.925 14.252 ( -0.795 -6.969 -0.000) 7.014 14.685 ( 6.714 23.120 0.000) 24.075 15.220 ( 4.154 0.179 0.000) 4.157 15.339 ( -6.801 0.356 0.000) 6.811 15.598 ( 2.374 -7.124 -0.000) 7.509 16.471 ( -18.095 -1.041 -0.000) 18.125 19.820 ( -4.776 -15.972 -0.000) 16.671 20.101 ( 10.681 -9.889 -0.000) 14.556 20.253 ( -9.556 11.762 0.000) 15.154 20.891 ( -1.508 12.137 0.000) 12.231 22.731 ( -1.632 3.673 0.000) 4.019 22.791 ( 1.213 3.197 0.000) 3.420 22.945 ( -1.508 5.459 0.000) 5.663 23.251 ( -9.798 -15.106 -0.000) 18.006 ======================= Grid point 127 (82/156) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.991 ( -3.657 -6.213 2.145) 7.522 3.991 ( 3.657 6.213 2.145) 7.522 4.242 ( -0.194 -11.122 -2.970) 11.513 4.242 ( 0.194 11.122 -2.970) 11.513 5.194 ( -14.721 -12.390 1.576) 19.305 5.194 ( 14.721 12.390 1.576) 19.305 5.500 ( -3.323 -5.714 4.565) 8.033 5.500 ( 3.323 5.714 4.565) 8.033 7.043 ( 2.068 -10.479 6.155) 12.328 7.043 ( -2.068 10.479 6.155) 12.328 7.781 ( 12.343 -15.332 -1.704) 19.757 7.781 ( -12.343 15.332 -1.704) 19.757 8.332 ( 0.609 -3.275 -1.184) 3.535 8.332 ( -0.609 3.275 -1.184) 3.535 8.797 ( -5.802 -11.889 -7.598) 15.256 8.797 ( 5.802 11.889 -7.598) 15.256 10.739 ( -1.970 -7.223 -2.111) 7.779 10.739 ( 1.970 7.223 -2.111) 7.779 11.333 ( -8.411 -1.683 4.252) 9.574 11.333 ( 8.411 1.683 4.252) 9.574 12.922 ( -19.117 -9.021 -0.830) 21.155 12.922 ( 19.117 9.021 -0.830) 21.155 14.486 ( 5.892 -22.575 -1.948) 23.413 14.486 ( -5.892 22.575 -1.948) 23.413 15.306 ( 0.529 -1.701 3.179) 3.644 15.306 ( -0.529 1.701 3.179) 3.644 15.876 ( 1.668 -3.831 -1.155) 4.335 15.876 ( -1.668 3.831 -1.155) 4.335 19.784 ( 2.426 -15.418 0.253) 15.610 19.784 ( -2.426 15.418 0.253) 15.610 20.686 ( 5.764 -10.144 -0.180) 11.668 20.686 ( -5.764 10.144 -0.180) 11.668 22.741 ( -2.160 -2.187 1.722) 3.523 22.741 ( 2.160 2.187 1.722) 3.523 22.968 ( -3.200 -14.088 -1.768) 14.554 22.968 ( 3.200 14.088 -1.768) 14.554 ======================= Grid point 129 (83/156) ======================= q-point: ( 0.10 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.902 ( -10.642 8.188 -10.194) 16.859 4.106 ( 1.929 -14.140 -1.043) 14.309 4.468 ( -0.307 -7.106 4.393) 8.360 4.681 ( 18.865 12.004 -2.403) 22.489 4.917 ( -0.162 -1.028 11.012) 11.062 5.407 ( 7.670 0.543 -2.684) 8.144 5.623 ( 6.172 5.241 -3.598) 8.860 5.855 ( 14.090 -3.768 -0.623) 14.599 6.937 ( -2.835 7.611 3.362) 8.790 7.101 ( -7.730 -3.867 4.350) 9.676 7.206 ( -8.053 10.485 -1.930) 13.360 7.976 ( -11.453 -13.194 -1.618) 17.546 8.205 ( -4.365 2.829 5.044) 7.246 8.332 ( -7.687 -7.103 -6.711) 12.433 8.475 ( 7.034 2.681 9.515) 12.133 8.754 ( 2.843 6.901 -6.292) 9.762 10.523 ( -14.156 -13.469 4.224) 19.991 10.869 ( 5.663 -1.247 -2.581) 6.347 11.047 ( -8.142 10.261 -1.204) 13.154 11.421 ( -6.492 -2.203 -7.311) 10.023 12.241 ( -8.223 -5.334 9.698) 13.788 13.411 ( 2.136 16.369 -5.572) 17.423 13.998 ( -0.466 -9.847 -8.977) 13.333 14.821 ( -2.137 -4.031 4.524) 6.425 15.302 ( -3.644 2.323 3.085) 5.310 15.457 ( 2.054 0.355 -5.123) 5.531 15.685 ( 4.768 0.103 11.472) 12.424 16.398 ( 17.978 0.847 -3.486) 18.333 19.480 ( -6.236 4.860 -9.970) 12.725 20.256 ( -2.974 -6.443 1.027) 7.170 20.433 ( 11.948 9.169 6.887) 16.560 20.955 ( 4.187 -7.490 4.846) 9.855 22.617 ( -2.567 -2.478 -5.009) 6.150 22.757 ( -2.109 2.479 -3.079) 4.480 22.924 ( 3.127 -2.479 -0.740) 4.058 23.335 ( 10.471 3.759 4.944) 12.175 ======================= Grid point 131 (84/156) ======================= q-point: ( 0.10 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.361 ( 20.985 7.345 8.273) 23.723 3.789 ( 14.373 13.051 -6.716) 20.543 4.124 ( 5.125 3.820 -4.159) 7.626 4.918 ( -5.139 -2.213 1.071) 5.697 5.382 ( -10.034 -22.806 -2.018) 24.997 5.867 ( -3.109 7.024 -2.424) 8.055 6.199 ( -18.352 -18.351 -10.128) 27.859 6.587 ( -9.635 8.042 0.170) 12.551 6.734 ( -10.271 -3.891 12.358) 16.534 7.151 ( -0.457 -9.998 5.563) 11.450 7.356 ( -1.800 -6.652 3.481) 7.720 7.593 ( 2.596 4.222 -5.519) 7.418 7.648 ( 6.023 -1.997 -4.373) 7.707 8.022 ( 4.456 9.926 8.204) 13.626 8.527 ( -2.855 -5.106 -6.303) 8.600 8.839 ( 7.020 -5.838 0.171) 9.132 9.432 ( 19.357 31.802 -11.594) 38.993 10.643 ( 13.389 -7.771 1.290) 15.534 10.975 ( -1.463 -7.563 0.572) 7.724 11.385 ( 6.826 3.740 7.542) 10.838 12.302 ( -14.357 9.182 -3.583) 17.415 13.454 ( 6.674 -8.635 19.490) 22.337 14.317 ( 10.236 8.178 -14.096) 19.244 14.454 ( -7.568 -1.945 4.931) 9.240 15.028 ( 4.462 1.884 -2.924) 5.657 15.427 ( 1.554 -7.653 -2.275) 8.134 15.956 ( -11.078 9.433 -2.313) 14.733 17.168 ( -12.235 -2.372 1.576) 12.562 19.284 ( 14.595 -5.211 4.344) 16.095 20.024 ( -1.277 -6.378 -0.648) 6.537 20.868 ( 0.139 3.400 0.487) 3.438 21.154 ( -20.305 6.242 -7.315) 22.467 22.542 ( 8.741 -1.012 1.493) 8.926 22.700 ( 3.224 1.555 1.830) 4.020 23.043 ( -1.865 2.469 0.293) 3.108 23.699 ( -9.169 -8.613 0.551) 12.592 ======================= Grid point 132 (85/156) ======================= q-point: ( 0.10 -0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.970 ( 2.526 -13.684 -0.000) 13.915 4.045 ( -8.059 -9.344 -0.000) 12.340 4.288 ( -12.306 12.854 0.000) 17.795 4.520 ( 1.853 11.653 0.000) 11.800 5.256 ( 15.986 22.317 0.000) 27.452 5.291 ( -20.447 -6.182 -0.000) 21.361 5.398 ( 4.008 -2.262 -0.000) 4.602 5.441 ( -7.871 -0.508 -0.000) 7.888 6.469 ( 8.220 -25.030 -0.000) 26.346 7.141 ( 4.895 5.003 0.000) 6.999 7.296 ( 9.869 -9.878 -0.000) 13.964 8.149 ( 8.411 -4.642 -0.000) 9.607 8.207 ( -3.830 6.562 0.000) 7.598 8.462 ( 2.380 -4.455 -0.000) 5.051 8.814 ( -5.069 6.604 0.000) 8.325 8.949 ( 6.043 6.169 0.000) 8.636 10.588 ( -2.567 -13.519 -0.000) 13.760 10.768 ( 4.324 1.986 0.000) 4.758 11.198 ( 5.865 1.359 0.000) 6.020 11.383 ( -10.843 -8.866 -0.000) 14.006 12.672 ( 21.799 13.119 0.000) 25.442 13.153 ( -13.072 -6.045 -0.000) 14.402 14.007 ( -1.950 -14.582 -0.000) 14.711 15.111 ( 4.305 -7.747 -0.000) 8.862 15.253 ( 2.195 -1.215 -0.000) 2.509 15.314 ( -14.142 25.626 0.000) 29.269 15.588 ( 10.767 0.100 0.000) 10.768 16.235 ( -11.471 5.986 0.000) 12.939 19.424 ( -1.883 -14.737 -0.000) 14.857 20.112 ( 2.251 2.568 0.000) 3.415 20.398 ( 2.818 4.427 0.000) 5.248 21.113 ( -5.280 15.489 0.000) 16.365 22.686 ( -5.170 -11.350 -0.000) 12.472 22.742 ( -4.047 -2.375 -0.000) 4.693 22.852 ( -1.767 -0.438 -0.000) 1.821 23.197 ( 5.078 12.504 0.000) 13.495 ======================= Grid point 137 (86/156) ======================= q-point: ( 0.10 0.70 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.679 ( 12.981 -12.156 14.514) 22.955 4.017 ( 10.744 -12.046 2.062) 16.272 4.629 ( 7.910 15.449 -6.348) 18.481 4.707 ( -8.343 -7.901 2.990) 11.873 4.849 ( -3.407 -2.079 -3.293) 5.174 5.445 ( -10.508 -8.931 -7.009) 15.470 5.874 ( -9.175 2.692 -8.368) 12.707 6.322 ( 0.570 -23.011 -12.564) 26.224 6.373 ( -24.744 2.726 3.702) 25.167 6.790 ( -0.605 -11.234 0.627) 11.268 7.187 ( -0.708 1.750 8.272) 8.485 7.696 ( 16.102 -15.512 3.279) 22.597 7.949 ( 11.039 9.970 -5.225) 15.766 8.390 ( 2.876 -9.897 -9.501) 14.017 8.533 ( 7.209 13.686 5.766) 16.508 8.899 ( -1.623 8.924 3.450) 9.704 10.500 ( 15.913 25.288 -5.952) 30.465 10.702 ( 3.347 -9.701 5.539) 11.661 10.889 ( 5.502 -1.065 -0.440) 5.621 11.509 ( 3.005 -3.650 4.075) 6.241 12.214 ( -4.393 7.075 -3.850) 9.175 13.290 ( -1.533 -8.651 18.163) 20.177 14.217 ( -5.230 -7.742 -0.414) 9.352 14.754 ( 11.920 7.935 -8.324) 16.563 15.095 ( 3.105 -3.412 0.573) 4.649 15.330 ( 3.188 -6.572 -2.079) 7.595 15.996 ( -13.788 20.428 -1.535) 24.693 16.865 ( -18.556 5.035 1.096) 19.258 19.441 ( 6.751 -3.947 9.303) 12.153 19.850 ( 3.408 -8.861 -10.930) 14.477 20.785 ( -17.064 5.391 -0.179) 17.896 21.171 ( 1.191 13.661 -2.210) 13.890 22.679 ( 5.232 -2.184 7.121) 9.102 22.805 ( 1.588 3.691 2.035) 4.504 23.035 ( -1.676 1.167 1.063) 2.303 23.261 ( -10.151 -11.226 -7.867) 17.058 ======================= Grid point 138 (87/156) ======================= q-point: ( 0.10 -0.10 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.582 ( -10.453 -17.923 -0.000) 20.749 4.053 ( 8.718 -4.869 -0.000) 9.985 4.157 ( -7.980 -3.955 -0.000) 8.906 4.781 ( -17.288 8.238 0.000) 19.150 5.124 ( 18.645 19.121 0.000) 26.707 5.239 ( -14.169 5.257 0.000) 15.113 5.619 ( 7.680 9.836 0.000) 12.479 6.052 ( 13.374 25.322 0.000) 28.636 6.234 ( 15.485 -18.669 -0.000) 24.256 7.059 ( -4.048 -3.623 -0.000) 5.433 7.505 ( 11.477 -4.523 -0.000) 12.336 8.092 ( -13.105 -3.142 -0.000) 13.477 8.169 ( -0.546 -3.573 -0.000) 3.615 8.200 ( 1.832 -16.815 -0.000) 16.914 8.935 ( -12.002 16.768 0.000) 20.621 9.099 ( 8.310 -3.305 -0.000) 8.943 10.321 ( -0.332 -10.285 -0.000) 10.290 10.765 ( -14.409 -21.237 -0.000) 25.663 10.910 ( 11.531 -1.680 -0.000) 11.653 11.261 ( 2.446 -3.201 -0.000) 4.028 12.812 ( -18.655 3.070 0.000) 18.906 13.355 ( 17.454 11.639 0.000) 20.979 13.615 ( -3.065 -16.906 -0.000) 17.181 14.959 ( -1.331 -5.714 -0.000) 5.867 15.255 ( -9.379 -1.654 -0.000) 9.524 15.316 ( 4.296 1.144 0.000) 4.446 16.164 ( -8.154 5.346 0.000) 9.750 16.167 ( 11.374 23.683 0.000) 26.273 19.162 ( 3.937 -12.613 -0.000) 13.213 20.289 ( 9.063 -0.229 0.000) 9.066 20.517 ( -2.776 9.172 0.000) 9.583 21.301 ( -9.472 17.095 0.000) 19.543 22.367 ( 1.647 -11.354 -0.000) 11.473 22.596 ( -2.158 -4.370 -0.000) 4.874 22.905 ( -0.886 4.024 0.000) 4.120 23.581 ( 5.711 12.589 0.000) 13.824 ======================= Grid point 141 (88/156) ======================= q-point: ( 0.10 0.50 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( 12.102 -14.841 19.674) 27.455 3.339 ( 8.702 -20.294 13.522) 25.892 4.548 ( -2.623 -3.019 2.860) 4.917 4.791 ( 1.623 -3.959 -10.262) 11.118 4.878 ( -5.671 -8.304 -0.389) 10.064 5.520 ( 1.312 -13.526 2.975) 13.911 5.874 ( 0.014 -23.185 -10.031) 25.262 6.152 ( 13.782 -21.890 -8.167) 27.126 6.555 ( 1.008 -0.337 -8.922) 8.985 6.842 ( -15.222 -2.773 0.818) 15.494 7.027 ( 2.703 -1.199 0.815) 3.067 7.445 ( -11.276 6.897 -4.989) 14.128 8.021 ( 9.713 4.292 -7.237) 12.851 8.387 ( 4.100 -8.276 -18.069) 20.293 8.695 ( -3.361 16.862 5.615) 18.087 9.006 ( 3.650 3.880 -2.617) 5.935 10.116 ( 10.087 2.300 21.888) 24.210 10.843 ( 5.365 18.421 -3.090) 19.434 11.060 ( -2.579 8.660 -3.032) 9.531 11.310 ( 4.807 -1.754 -0.470) 5.139 12.532 ( -12.375 -1.317 1.097) 12.493 12.677 ( 2.874 -5.302 21.867) 22.684 14.077 ( 3.762 -15.192 -8.324) 17.726 14.706 ( 5.005 3.071 9.946) 11.550 14.958 ( 0.594 -5.719 3.525) 6.744 15.443 ( -0.446 3.036 -18.802) 19.050 16.574 ( -8.106 23.088 12.226) 27.354 17.435 ( -14.763 14.534 -1.346) 20.760 19.233 ( 3.917 6.543 2.274) 7.958 19.864 ( 0.525 -5.431 -9.082) 10.595 21.086 ( -3.730 4.483 2.687) 6.421 21.525 ( -7.420 7.432 -2.761) 10.859 22.332 ( 5.316 -4.477 4.365) 8.207 22.747 ( 5.228 1.768 2.541) 6.076 23.013 ( -1.132 -2.940 2.382) 3.949 23.373 ( -3.529 -13.036 -12.855) 18.645 ======================= Grid point 142 (89/156) ======================= q-point: ( 0.10 0.70 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.547 ( 7.801 -11.842 5.258) 15.124 3.812 ( 2.593 -17.470 0.585) 17.671 4.495 ( 2.261 -1.659 7.036) 7.575 4.838 ( -4.052 6.748 -8.109) 11.301 5.054 ( 9.187 2.704 9.350) 13.384 5.429 ( 4.933 0.139 -5.075) 7.079 5.749 ( -2.074 -0.197 -6.225) 6.564 5.821 ( -13.972 -3.927 -13.895) 20.092 6.042 ( -4.351 -0.232 -9.434) 10.392 6.872 ( 15.637 0.557 0.074) 15.647 7.254 ( -4.516 7.424 5.350) 10.204 7.676 ( 14.976 -16.601 7.191) 23.486 8.171 ( 2.236 -12.525 -11.932) 17.443 8.292 ( 5.895 2.078 -2.322) 6.668 8.785 ( 4.640 -1.570 4.730) 6.809 9.128 ( -1.646 13.362 6.740) 15.056 10.459 ( -5.246 -9.006 4.465) 11.338 10.732 ( -4.140 -3.595 -3.618) 6.569 11.128 ( 4.051 5.292 0.804) 6.713 11.297 ( -5.020 -15.454 -3.070) 16.536 12.591 ( 12.591 15.623 3.239) 20.325 13.167 ( -0.754 2.266 14.157) 14.357 13.896 ( -6.992 -11.840 -2.772) 14.027 14.959 ( 3.411 -6.660 -11.774) 13.951 15.117 ( 4.993 1.258 3.572) 6.267 15.287 ( 5.222 -6.099 0.579) 8.050 16.234 ( -12.892 27.305 4.089) 30.472 16.655 ( -16.326 10.581 -2.073) 19.565 19.305 ( -5.543 -7.412 -3.683) 9.961 19.910 ( 10.351 -1.819 -2.902) 10.903 20.643 ( -6.543 5.432 -0.255) 8.508 21.470 ( -3.128 15.297 5.500) 16.554 22.508 ( -5.248 -10.854 4.053) 12.719 22.834 ( -6.767 -6.367 -5.329) 10.711 22.919 ( 0.482 3.882 1.208) 4.094 23.257 ( 9.042 6.270 -2.124) 11.206 ======================= Grid point 143 (90/156) ======================= q-point: ( 0.10 -0.10 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( -14.724 -22.936 -0.000) 27.256 3.359 ( -27.531 -18.976 -0.000) 33.437 4.273 ( 9.310 -1.529 -0.000) 9.435 4.958 ( -0.713 15.632 0.000) 15.648 5.008 ( -16.642 5.807 0.000) 17.626 5.745 ( -1.763 10.382 0.000) 10.531 6.147 ( 8.734 15.290 0.000) 17.609 6.437 ( 28.285 0.451 0.000) 28.289 6.724 ( 0.816 5.115 0.000) 5.179 6.944 ( -5.096 11.865 0.000) 12.913 7.514 ( 10.111 -2.134 -0.000) 10.333 7.547 ( -21.666 -11.398 -0.000) 24.482 7.962 ( 4.897 -12.388 -0.000) 13.321 8.086 ( 2.414 -3.035 -0.000) 3.878 9.006 ( -7.941 10.200 0.000) 12.927 9.104 ( 3.139 -14.959 -0.000) 15.285 9.768 ( -12.895 -19.092 -0.000) 23.039 10.533 ( 13.185 -2.787 -0.000) 13.477 11.112 ( 9.838 -2.429 -0.000) 10.134 11.231 ( 1.246 -2.224 -0.000) 2.549 12.473 ( -23.068 5.779 0.000) 23.781 13.233 ( -3.687 -12.978 -0.000) 13.492 13.814 ( 10.998 4.431 0.000) 11.857 14.867 ( -1.094 -1.177 -0.000) 1.607 14.972 ( -8.549 -5.738 -0.000) 10.296 15.460 ( 5.164 2.207 0.000) 5.616 16.095 ( -5.702 2.205 0.000) 6.114 16.895 ( 14.035 20.679 0.000) 24.992 19.074 ( 9.446 -9.183 -0.000) 13.174 20.303 ( 0.438 -5.729 -0.000) 5.746 20.797 ( 6.517 12.228 0.000) 13.856 21.383 ( -13.374 12.581 0.000) 18.362 22.298 ( 5.727 -4.252 -0.000) 7.133 22.531 ( 3.152 -1.888 -0.000) 3.674 22.940 ( -2.520 2.326 0.000) 3.429 23.899 ( 3.538 8.349 0.000) 9.068 ======================= Grid point 146 (91/156) ======================= q-point: ( 0.10 0.50 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.867 ( 20.558 -10.213 14.532) 27.168 3.124 ( 13.202 -21.172 14.617) 28.917 4.336 ( -2.953 -1.170 -2.324) 3.936 4.643 ( 6.604 -6.113 18.426) 20.506 4.961 ( 8.366 0.402 -9.699) 12.814 5.440 ( 8.875 -15.858 -0.708) 18.186 5.585 ( 6.788 -9.337 -10.407) 15.543 6.058 ( 11.401 -5.614 -15.064) 19.708 6.477 ( -1.308 -9.746 -8.937) 13.288 6.580 ( -2.376 1.789 1.080) 3.164 7.142 ( 1.154 6.441 -3.506) 7.423 7.521 ( 0.374 8.238 -1.892) 8.461 8.210 ( 6.228 -4.317 -6.501) 9.985 8.302 ( 3.800 -6.289 -24.269) 25.357 8.810 ( -10.315 8.360 0.184) 13.278 9.116 ( 3.217 -0.633 3.138) 4.538 10.126 ( -7.814 -3.348 21.447) 23.071 11.014 ( -8.765 4.682 -2.767) 10.315 11.213 ( -3.788 -7.310 -3.715) 9.032 11.237 ( -2.280 6.431 0.791) 6.869 12.448 ( -0.467 2.253 26.747) 26.845 12.868 ( 15.938 9.081 2.431) 18.504 13.787 ( 1.104 -16.761 -9.252) 19.176 14.841 ( 0.819 -4.311 7.137) 8.378 14.888 ( 8.150 -1.934 6.806) 10.793 15.458 ( -2.913 1.875 -21.585) 21.861 16.768 ( -19.894 19.576 18.073) 33.250 17.447 ( -16.180 19.684 -4.147) 25.815 19.463 ( -0.266 5.431 -7.254) 9.066 19.807 ( 4.564 -1.688 -5.895) 7.644 20.822 ( -10.854 -4.605 1.389) 11.872 21.677 ( -6.475 10.975 10.231) 16.341 22.344 ( 4.525 -1.492 -0.485) 4.789 22.848 ( -3.462 -10.326 -1.461) 10.989 22.900 ( 3.757 2.546 2.918) 5.396 23.212 ( 10.565 -4.690 -12.610) 17.106 ======================= Grid point 147 (92/156) ======================= q-point: ( 0.10 0.70 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.412 ( -6.137 -16.874 -2.655) 18.151 3.673 ( 15.754 -5.298 -0.874) 16.644 4.420 ( -11.953 -4.646 -4.076) 13.456 4.937 ( 8.355 -0.651 -2.208) 8.666 5.291 ( 1.592 10.605 4.194) 11.515 5.480 ( 18.833 -10.121 -5.392) 22.049 5.733 ( -5.954 19.079 0.277) 19.988 5.786 ( 1.173 9.115 -1.810) 9.366 6.445 ( 14.157 18.987 -11.072) 26.144 7.190 ( 10.078 -5.549 -2.324) 11.738 7.249 ( -7.313 9.892 1.619) 12.408 7.620 ( 6.746 -12.723 10.608) 17.886 8.048 ( 5.014 -4.923 -6.902) 9.849 8.272 ( -6.453 -4.324 0.148) 7.769 8.718 ( 4.646 -11.919 2.037) 12.954 9.179 ( -5.515 -2.934 7.580) 9.823 10.167 ( -2.236 -10.313 5.330) 11.822 10.669 ( -6.304 -10.969 -5.984) 13.995 10.753 ( -3.503 -3.965 -7.603) 9.263 11.155 ( -0.144 -3.446 0.464) 3.480 12.928 ( -3.182 8.137 23.295) 24.880 13.445 ( -10.941 -11.965 -3.141) 16.514 13.510 ( 12.232 12.833 -5.786) 18.649 14.833 ( 0.812 -7.730 -8.033) 11.178 15.189 ( 1.227 -2.593 0.687) 2.950 15.282 ( 4.315 -2.993 0.060) 5.252 16.363 ( -10.462 7.070 8.557) 15.253 16.765 ( -8.898 24.804 -4.063) 26.663 19.041 ( -4.787 -5.973 -7.032) 10.394 20.077 ( 7.624 -1.595 0.086) 7.789 20.709 ( 1.119 4.752 -0.768) 4.942 21.643 ( -6.081 11.534 13.538) 18.796 22.292 ( -1.625 -1.715 -8.174) 8.509 22.560 ( -3.209 -8.526 -3.982) 9.942 23.008 ( -0.594 4.000 0.905) 4.144 23.605 ( 9.393 6.773 1.715) 11.707 ======================= Grid point 148 (93/156) ======================= q-point: ( 0.10 -0.10 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( -22.969 -13.313 -0.000) 26.548 2.360 ( -33.591 -14.764 -0.000) 36.693 4.536 ( 14.044 3.223 0.000) 14.409 4.727 ( -41.088 13.251 0.000) 43.172 5.214 ( -2.559 12.359 0.000) 12.621 5.230 ( -23.514 -22.373 -0.000) 32.457 6.320 ( -16.961 2.918 0.000) 17.210 6.329 ( -10.292 -3.625 -0.000) 10.912 6.842 ( 6.259 -8.321 -0.000) 10.412 7.273 ( 6.279 9.298 0.000) 11.220 7.474 ( 15.606 10.229 0.000) 18.659 7.900 ( 8.612 -7.604 -0.000) 11.488 7.999 ( 15.523 1.088 0.000) 15.561 8.029 ( 2.375 -2.466 -0.000) 3.423 8.629 ( -3.036 -7.697 -0.000) 8.274 9.042 ( 1.079 1.363 0.000) 1.738 9.514 ( 7.772 -9.106 -0.000) 11.971 10.831 ( 12.920 1.853 0.000) 13.053 11.153 ( 1.475 -4.896 -0.000) 5.114 11.239 ( -0.083 1.501 0.000) 1.503 12.109 ( -19.685 0.678 -0.000) 19.696 12.971 ( -7.380 0.562 0.000) 7.401 14.036 ( 7.763 0.393 0.000) 7.773 14.660 ( -9.933 -2.432 -0.000) 10.226 14.910 ( 3.193 -0.720 -0.000) 3.273 15.533 ( -0.950 -1.004 -0.000) 1.382 16.086 ( 3.009 1.020 0.000) 3.177 17.553 ( 16.152 12.175 0.000) 20.227 19.180 ( 11.980 -1.629 -0.000) 12.090 20.179 ( -2.032 -3.418 -0.000) 3.976 21.193 ( 12.378 6.365 0.000) 13.919 21.255 ( -13.053 1.804 0.000) 13.177 22.357 ( 3.086 0.059 0.000) 3.086 22.640 ( 5.615 2.341 0.000) 6.083 22.884 ( -5.366 0.017 -0.000) 5.366 24.054 ( 0.594 2.784 0.000) 2.847 ======================= Grid point 150 (94/156) ======================= q-point: ( 0.10 0.30 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 27.171 -9.953 23.746) 37.432 1.944 ( 15.925 -26.009 24.371) 39.039 3.297 ( 22.020 -26.387 49.687) 60.415 4.687 ( -4.844 4.950 -10.882) 12.900 4.960 ( 2.910 -6.237 -0.026) 6.883 5.001 ( 8.069 -2.260 -13.933) 16.258 5.403 ( 6.846 -5.933 -5.278) 10.484 5.851 ( 7.512 -2.898 -0.701) 8.083 6.361 ( 14.525 -21.541 -16.175) 30.604 6.931 ( -7.605 2.523 -11.762) 14.232 7.136 ( 6.653 -1.848 -10.796) 12.815 7.990 ( -7.567 9.871 -10.532) 16.298 8.231 ( -1.143 -3.016 -11.445) 11.891 8.603 ( 5.186 2.604 -16.089) 17.103 8.874 ( 7.274 -11.530 -6.754) 15.214 9.409 ( -12.113 13.877 -2.878) 18.643 10.110 ( -23.057 19.362 24.974) 39.118 11.187 ( -5.310 0.391 6.478) 8.385 11.215 ( 0.932 2.025 3.730) 4.345 11.420 ( -6.240 2.701 0.021) 6.800 11.825 ( 0.951 -4.415 29.500) 29.843 12.764 ( 12.623 5.410 -3.420) 14.153 13.471 ( 16.225 -25.660 -19.300) 35.975 14.574 ( 4.048 1.269 10.045) 10.904 14.589 ( -0.402 -4.140 8.965) 9.883 15.969 ( -3.054 2.860 -17.393) 17.889 17.365 ( -35.970 34.035 31.716) 58.806 18.097 ( -9.414 10.712 -2.412) 14.463 19.710 ( 7.809 12.844 -3.845) 15.516 19.855 ( -2.669 -5.840 -8.508) 10.659 20.832 ( -8.911 -7.420 5.965) 13.040 21.869 ( -9.276 9.579 7.502) 15.300 22.288 ( 9.925 0.410 -8.853) 13.306 22.636 ( 2.330 -10.804 0.925) 11.091 22.787 ( 8.180 -5.620 -4.882) 11.061 23.018 ( 15.524 -14.999 -15.628) 26.650 ======================= Grid point 151 (95/156) ======================= q-point: ( 0.10 0.50 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.955 ( 12.481 -17.414 10.321) 23.781 3.237 ( 20.551 -2.878 7.747) 22.151 4.357 ( -0.584 3.874 1.081) 4.065 4.907 ( 11.350 2.675 7.623) 13.932 5.126 ( 8.525 -6.178 -10.000) 14.521 5.346 ( 16.725 0.759 -1.713) 16.830 5.719 ( 16.628 -0.081 -14.574) 22.111 6.261 ( -2.979 -3.375 -6.526) 7.928 6.356 ( 9.984 1.850 -3.260) 10.664 6.779 ( 15.639 4.197 3.816) 16.636 7.269 ( -0.036 3.440 0.920) 3.561 7.683 ( 0.061 4.991 -2.102) 5.416 8.107 ( 1.207 -13.062 -2.686) 13.390 8.281 ( 2.393 -1.756 -25.538) 25.710 8.680 ( -15.782 6.393 0.106) 17.028 9.000 ( -4.604 -9.535 2.630) 10.910 9.828 ( -9.980 -1.562 23.738) 25.798 10.872 ( -12.803 -5.968 -5.110) 15.021 11.008 ( -3.355 6.334 -5.976) 9.332 11.165 ( -6.151 -2.345 -1.279) 6.706 12.531 ( 2.773 4.005 30.724) 31.108 13.246 ( 3.991 -13.338 -2.344) 14.118 13.687 ( 11.849 9.453 -9.400) 17.836 14.740 ( -0.313 -4.830 6.978) 8.492 15.013 ( 6.972 -2.855 5.341) 9.235 15.416 ( -3.863 1.341 -19.278) 19.707 16.591 ( -20.434 6.974 15.500) 26.579 17.495 ( -15.533 13.716 -0.919) 20.742 19.308 ( -9.823 -4.446 -11.456) 15.732 19.922 ( 4.798 -1.847 -1.428) 5.336 20.760 ( 1.605 6.680 0.187) 6.873 21.678 ( -7.086 6.775 13.730) 16.871 22.483 ( 1.624 5.412 -3.598) 6.698 22.505 ( -1.999 -12.992 -7.150) 14.964 23.016 ( 2.463 1.724 2.872) 4.158 23.465 ( 13.552 0.398 -6.162) 14.892 ======================= Grid point 152 (96/156) ======================= q-point: ( 0.10 -0.30 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.941 ( -13.311 -6.582 -3.841) 15.338 3.672 ( -11.049 -8.836 -5.384) 15.137 4.060 ( -0.856 -2.640 -9.705) 10.094 5.050 ( 6.434 -3.519 5.332) 9.067 5.487 ( -9.220 16.165 1.525) 18.672 5.746 ( 21.712 -6.230 -7.336) 23.750 6.196 ( 6.641 15.765 -2.156) 17.242 6.411 ( 16.470 27.520 4.246) 32.352 6.992 ( -2.143 11.299 -0.427) 11.508 7.106 ( 4.836 -4.835 2.381) 7.241 7.302 ( -8.969 -2.382 -5.984) 11.042 7.457 ( -1.244 -6.971 8.033) 10.708 7.871 ( -12.939 -7.520 -0.743) 14.984 8.039 ( -1.135 1.631 6.231) 6.540 8.630 ( 10.012 -9.763 -1.391) 14.053 8.944 ( 2.560 -12.281 1.829) 12.678 9.682 ( -13.176 -24.772 -8.594) 29.345 10.344 ( 5.497 0.925 -2.314) 6.036 11.005 ( 4.988 8.738 -0.543) 10.076 11.091 ( 2.802 -3.767 2.217) 5.192 12.866 ( -14.436 -7.521 -0.727) 16.294 13.072 ( -4.058 5.264 20.187) 21.253 13.949 ( 5.291 8.997 -12.907) 16.598 14.714 ( 1.756 -5.828 -1.722) 6.325 15.044 ( -5.619 -4.750 0.449) 7.371 15.386 ( 7.186 0.849 -1.423) 7.375 16.222 ( -8.132 -1.257 2.403) 8.572 17.117 ( 1.194 15.411 0.605) 15.469 18.929 ( 0.633 0.518 -4.265) 4.343 20.133 ( 3.895 -4.019 1.730) 5.858 20.837 ( 3.886 2.413 -0.335) 4.587 21.685 ( -6.985 1.789 6.130) 9.464 22.249 ( 0.400 0.591 -4.686) 4.741 22.502 ( 2.618 2.737 -3.504) 5.160 23.043 ( -2.149 1.987 0.168) 2.931 23.863 ( 6.032 2.234 4.028) 7.590 ======================= Grid point 153 (97/156) ======================= q-point: ( 0.15 -0.15 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( -27.281 20.032 0.000) 33.846 2.201 ( -35.384 0.051 -0.000) 35.384 4.566 ( 15.675 -0.179 0.000) 15.676 4.681 ( -53.954 -22.625 -0.000) 58.506 5.084 ( -16.686 13.815 0.000) 21.663 5.467 ( -6.631 9.214 0.000) 11.352 6.233 ( -16.607 -3.087 -0.000) 16.891 6.510 ( -19.687 10.879 0.000) 22.493 6.703 ( 9.938 -4.919 -0.000) 11.089 7.429 ( -0.359 6.606 0.000) 6.616 7.518 ( 10.790 -8.090 -0.000) 13.486 7.682 ( -5.168 -5.072 -0.000) 7.241 7.837 ( 16.326 -7.950 -0.000) 18.159 8.091 ( 19.808 5.659 0.000) 20.601 8.815 ( 3.708 16.479 0.000) 16.891 8.899 ( 12.070 -14.377 -0.000) 18.772 9.292 ( 10.767 -11.125 -0.000) 15.482 10.886 ( 11.099 3.677 0.000) 11.693 11.099 ( -3.773 0.166 -0.000) 3.776 11.289 ( 1.214 2.847 0.000) 3.096 11.952 ( -16.553 -13.023 -0.000) 21.062 13.206 ( -11.590 17.331 0.000) 20.849 14.066 ( 7.252 2.780 0.000) 7.766 14.598 ( -7.986 -3.836 -0.000) 8.859 14.900 ( 3.440 -0.009 0.000) 3.440 15.484 ( -2.235 -3.240 -0.000) 3.936 16.074 ( 6.087 -2.080 -0.000) 6.433 17.696 ( 14.999 1.045 0.000) 15.036 19.305 ( 10.167 13.796 0.000) 17.137 20.135 ( -1.356 -0.644 -0.000) 1.501 21.122 ( -9.987 -14.358 -0.000) 17.490 21.229 ( 14.068 -2.544 -0.000) 14.296 22.414 ( 0.391 4.862 0.000) 4.878 22.700 ( 4.152 2.871 0.000) 5.048 22.879 ( -6.310 -0.525 -0.000) 6.332 24.063 ( 1.196 -1.929 -0.000) 2.269 ======================= Grid point 155 (98/156) ======================= q-point: ( 0.15 0.25 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 18.095 -6.839 28.413) 34.373 1.726 ( 30.795 4.219 25.824) 40.410 3.048 ( 29.338 1.384 58.825) 65.750 4.800 ( 0.254 -7.026 -8.708) 11.192 4.825 ( -1.254 8.035 -12.568) 14.970 4.962 ( 6.641 -1.823 -6.654) 9.576 5.349 ( 3.860 -0.557 -3.282) 5.097 5.857 ( 9.840 -3.630 -0.837) 10.522 6.077 ( 23.655 4.701 -11.206) 26.594 7.015 ( -2.880 5.169 -12.166) 13.529 7.059 ( 1.907 -5.118 -12.319) 13.475 8.109 ( -7.179 -2.675 -11.651) 13.944 8.194 ( -1.611 3.681 -15.211) 15.732 8.594 ( 1.479 -4.614 -18.375) 19.003 8.752 ( 12.781 3.160 -3.008) 13.505 9.545 ( -13.189 -0.525 -4.941) 14.094 10.382 ( -38.015 0.701 20.458) 43.176 11.183 ( -4.920 1.167 8.760) 10.115 11.261 ( -0.788 -0.567 6.563) 6.634 11.465 ( -4.605 2.073 -2.208) 5.511 11.798 ( 4.255 1.513 30.807) 31.136 12.741 ( 5.035 -9.912 -2.223) 11.337 13.190 ( 33.911 6.123 -16.195) 38.075 14.538 ( -1.467 -0.438 9.897) 10.015 14.592 ( 3.717 0.244 9.036) 9.774 16.000 ( -3.091 0.052 -17.894) 18.159 17.823 ( -57.442 1.379 25.621) 62.912 18.214 ( -9.492 -0.716 -1.200) 9.595 19.673 ( -8.034 -7.514 -2.467) 11.274 19.865 ( 3.890 2.026 -7.627) 8.798 20.878 ( 4.192 7.677 6.312) 10.786 21.948 ( -10.421 -0.931 2.750) 10.818 22.250 ( 19.272 -8.387 -14.798) 25.705 22.453 ( 5.096 7.914 0.927) 9.458 22.693 ( 23.446 -1.484 -4.906) 24.000 22.906 ( 6.367 -0.100 -4.117) 7.583 ======================= Grid point 156 (99/156) ======================= q-point: ( 0.15 0.45 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( 14.466 -4.457 16.837) 22.641 3.225 ( 20.022 2.242 12.045) 23.473 4.471 ( -3.015 6.690 0.306) 7.345 4.871 ( 12.555 -5.817 -9.870) 16.996 4.997 ( 0.072 -5.540 -6.906) 8.854 5.445 ( 37.164 6.027 14.086) 40.198 5.836 ( 18.935 10.686 -8.562) 23.367 6.027 ( 11.160 -10.531 -12.386) 19.720 6.494 ( -1.488 5.601 -5.072) 7.702 6.919 ( 9.960 6.703 4.971) 12.994 7.155 ( 6.095 -13.004 -0.141) 14.362 7.749 ( -3.434 -11.872 -5.909) 13.699 7.837 ( -2.291 3.152 -7.864) 8.777 8.301 ( 5.660 3.321 -21.518) 22.497 8.776 ( -20.259 -2.899 6.500) 21.473 8.906 ( -3.671 4.429 -5.839) 8.197 9.904 ( -11.121 8.531 23.159) 27.071 10.793 ( -17.421 -0.858 -3.303) 17.753 11.110 ( -8.348 -2.411 -2.677) 9.093 11.172 ( -0.819 7.933 -2.604) 8.389 12.606 ( 5.203 3.093 30.187) 30.788 12.885 ( 1.615 -18.898 -3.901) 19.363 13.922 ( 16.457 10.739 -8.597) 21.449 14.671 ( -1.920 -1.368 9.080) 9.381 14.967 ( 5.553 -1.464 4.346) 7.202 15.439 ( -3.818 0.758 -19.616) 19.998 16.664 ( -23.735 -0.326 13.690) 27.402 17.621 ( -15.424 -1.956 0.363) 15.551 19.221 ( -8.214 -2.793 -3.530) 9.367 19.876 ( 4.560 -1.719 -5.049) 7.017 20.970 ( -3.792 11.367 0.521) 11.994 21.715 ( -4.365 -5.519 5.655) 9.027 22.289 ( 1.490 -4.211 -4.217) 6.143 22.620 ( 0.738 6.812 -0.211) 6.855 23.030 ( 2.997 -0.299 2.725) 4.061 23.441 ( 15.077 -2.587 -8.687) 17.592 ======================= Grid point 157 (100/156) ======================= q-point: ( 0.15 -0.35 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.001 ( -11.265 11.923 1.993) 16.524 3.601 ( -13.232 2.792 -6.470) 14.991 4.050 ( -1.539 1.709 -7.340) 7.692 4.989 ( 5.788 -2.621 4.933) 8.044 5.552 ( 22.247 -6.608 -4.258) 23.595 5.809 ( -6.871 8.016 -0.917) 10.598 6.378 ( 11.296 1.788 -8.804) 14.433 6.774 ( 13.867 -8.271 5.393) 17.023 6.996 ( 10.125 11.095 1.406) 15.086 7.050 ( -6.653 -8.135 9.396) 14.096 7.277 ( -3.490 1.454 -0.989) 3.908 7.444 ( -5.986 4.549 -2.820) 8.030 7.733 ( -13.535 -4.893 1.234) 14.445 8.086 ( 0.379 -2.822 12.968) 13.277 8.574 ( 12.162 0.097 -2.323) 12.382 8.698 ( 2.812 -2.018 -11.180) 11.704 9.306 ( -22.956 -8.561 -8.602) 25.967 10.430 ( 7.605 7.254 -0.220) 10.512 11.020 ( 4.992 -2.935 1.444) 5.968 11.208 ( -0.045 9.977 3.859) 10.698 12.606 ( -11.615 -14.589 -2.584) 18.827 13.274 ( 0.939 10.538 22.943) 25.265 14.123 ( -0.888 8.389 -15.960) 18.052 14.599 ( 1.941 -5.999 1.893) 6.584 14.983 ( -4.277 -0.548 -1.618) 4.606 15.403 ( 7.824 0.901 -1.603) 8.037 16.141 ( -9.288 -6.647 -0.072) 11.422 17.292 ( 1.181 1.054 1.389) 2.106 19.030 ( 2.117 9.186 -1.211) 9.505 20.063 ( 4.423 -2.628 1.606) 5.390 20.859 ( 1.534 0.420 -0.002) 1.591 21.535 ( -6.644 -15.001 -2.904) 16.662 22.352 ( 2.263 8.671 0.444) 8.973 22.605 ( 0.424 5.725 -0.772) 5.792 23.064 ( -2.460 -0.020 0.293) 2.477 23.841 ( 7.119 -4.267 2.644) 8.711 ======================= Grid point 170 (101/156) ======================= q-point: ( 0.15 0.25 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.504 ( 11.429 15.340 7.331) 20.487 4.071 ( 15.687 12.337 4.983) 20.570 4.298 ( 5.189 -5.410 7.611) 10.683 4.719 ( -12.319 -6.957 -0.603) 14.161 4.996 ( 10.183 -0.295 0.143) 10.189 5.513 ( -9.688 -1.380 -2.851) 10.193 5.644 ( -14.756 -19.333 1.307) 24.356 6.089 ( -9.142 -17.404 -8.781) 21.531 6.818 ( 5.805 7.230 -2.988) 9.741 6.944 ( -2.155 4.316 8.601) 9.861 7.424 ( 14.907 12.357 -21.927) 29.253 7.775 ( 14.319 10.818 1.864) 18.043 8.259 ( -5.184 1.846 11.805) 13.025 8.319 ( -5.765 9.647 1.988) 11.413 8.447 ( -1.603 -14.879 4.181) 15.538 8.958 ( -3.720 -2.309 -17.134) 17.684 10.547 ( 19.684 8.600 13.080) 25.149 10.691 ( -8.494 0.019 2.015) 8.730 11.111 ( -5.798 6.887 -6.698) 11.222 11.331 ( -2.911 4.976 6.147) 8.428 12.373 ( 9.715 0.757 -0.239) 9.747 13.132 ( 4.425 11.660 -7.959) 14.794 14.048 ( -6.451 -3.885 4.358) 8.701 14.825 ( 4.343 0.714 3.143) 5.408 15.194 ( 5.521 6.307 3.039) 8.916 15.464 ( -5.275 -2.586 -0.721) 5.919 15.923 ( -0.742 -7.108 -4.699) 8.553 16.451 ( -12.119 -17.713 -0.008) 21.462 19.360 ( -5.076 10.091 2.084) 11.487 20.301 ( 8.313 2.720 -6.542) 10.923 20.500 ( -8.294 -12.137 -0.212) 14.702 21.092 ( -0.387 -10.739 1.827) 10.901 22.487 ( 2.447 5.737 3.552) 7.177 22.704 ( -3.570 2.009 4.227) 5.886 22.923 ( -0.083 -2.691 1.733) 3.202 23.481 ( -2.095 -9.436 -9.174) 13.326 ======================= Grid point 171 (102/156) ======================= q-point: ( 0.15 -0.55 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.730 ( -20.009 -0.212 -1.807) 20.092 3.942 ( -6.331 15.682 4.250) 17.437 4.259 ( -8.108 2.262 -9.396) 12.615 4.887 ( -0.955 2.135 -6.800) 7.191 4.954 ( 7.216 -19.690 2.944) 21.176 5.514 ( 10.467 -6.555 2.051) 12.520 5.772 ( -0.583 -12.044 0.997) 12.100 5.884 ( 16.069 -8.791 10.495) 21.110 6.908 ( -10.638 6.106 0.982) 12.305 7.061 ( 2.827 -4.917 -0.714) 5.716 7.316 ( -4.484 13.578 16.559) 21.878 7.632 ( -13.993 16.195 -2.914) 21.601 8.192 ( -0.083 4.660 -7.626) 8.938 8.387 ( 7.292 -3.128 -8.117) 11.351 8.546 ( 1.938 -5.269 -12.567) 13.764 8.904 ( 7.158 -2.562 17.091) 18.705 10.255 ( -11.006 23.913 -11.222) 28.616 10.840 ( -0.941 -7.081 6.240) 9.485 11.212 ( 4.502 1.680 1.133) 4.937 11.376 ( -1.903 6.607 4.027) 7.968 12.148 ( -3.492 9.689 -12.676) 16.333 13.538 ( -11.596 -12.918 11.402) 20.769 13.882 ( 6.672 10.448 6.669) 14.077 14.774 ( -0.972 1.700 -10.197) 10.383 15.247 ( -6.813 4.176 -3.792) 8.845 15.499 ( 3.757 -4.591 4.876) 7.679 15.779 ( 7.375 -1.539 -7.066) 10.329 16.508 ( 9.765 -19.458 3.547) 22.058 19.571 ( 2.110 0.649 12.423) 12.618 20.124 ( -3.752 2.445 0.520) 4.508 20.607 ( 3.786 -8.738 0.090) 9.524 20.895 ( 4.614 -1.002 -13.913) 14.692 22.542 ( -4.116 1.497 3.377) 5.530 22.801 ( 0.744 0.755 -1.426) 1.777 22.887 ( -0.377 -2.399 -0.283) 2.445 23.432 ( 5.157 -8.193 3.253) 10.213 ======================= Grid point 173 (103/156) ======================= q-point: ( 0.15 -0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( 12.806 32.259 0.000) 34.708 3.193 ( 27.067 18.955 0.000) 33.044 4.296 ( 2.317 -10.749 -0.000) 10.996 4.827 ( -12.870 11.880 0.000) 17.515 5.657 ( -6.047 6.231 0.000) 8.683 5.891 ( -7.825 -20.767 -0.000) 22.192 5.937 ( 2.988 29.157 0.000) 29.310 6.746 ( -24.738 -21.310 -0.000) 32.651 6.999 ( -2.520 11.418 0.000) 11.693 7.160 ( 12.840 26.839 0.000) 29.753 7.351 ( 2.470 -13.732 -0.000) 13.953 7.483 ( 3.705 -8.920 -0.000) 9.659 7.772 ( -6.860 -14.963 -0.000) 16.461 8.236 ( -9.275 -13.432 -0.000) 16.323 8.346 ( 16.833 18.044 0.000) 24.677 8.820 ( 0.592 3.641 0.000) 3.689 9.081 ( 11.663 -11.304 -0.000) 16.242 10.812 ( 11.067 -8.935 -0.000) 14.223 11.160 ( 1.477 -7.090 -0.000) 7.242 11.363 ( 4.556 6.063 0.000) 7.584 12.010 ( -13.877 15.215 0.000) 20.593 13.823 ( 16.520 13.901 0.000) 21.590 13.954 ( 2.742 -10.820 -0.000) 11.162 14.564 ( -9.171 0.824 0.000) 9.208 14.930 ( 5.515 2.288 0.000) 5.971 15.454 ( -1.776 -0.098 -0.000) 1.779 15.876 ( -6.943 -3.276 -0.000) 7.677 17.321 ( -11.486 -10.411 -0.000) 15.502 19.482 ( 20.981 -9.435 -0.000) 23.005 20.148 ( 1.024 -2.979 -0.000) 3.150 20.894 ( -5.271 -6.485 -0.000) 8.357 20.910 ( -23.007 8.995 0.000) 24.703 22.545 ( 6.756 0.780 0.000) 6.801 22.707 ( 1.877 -0.292 -0.000) 1.900 22.970 ( -1.623 4.427 0.000) 4.715 23.885 ( -7.723 -6.719 -0.000) 10.236 ======================= Grid point 175 (104/156) ======================= q-point: ( 0.15 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.924 ( 6.312 5.779 4.032) 9.460 4.083 ( -8.516 0.831 -1.401) 8.671 4.255 ( 5.304 -13.062 4.968) 14.947 4.426 ( -2.657 -13.314 -5.939) 14.819 5.064 ( 5.827 4.760 0.663) 7.553 5.317 ( -2.794 2.058 3.512) 4.937 5.501 ( 0.911 2.624 5.003) 5.722 5.666 ( -4.447 -9.660 -3.825) 11.301 7.024 ( -2.796 11.641 14.047) 18.456 7.136 ( 4.219 7.507 1.745) 8.786 7.577 ( -13.951 2.660 -6.978) 15.823 8.044 ( 8.623 -10.999 -4.418) 14.658 8.200 ( -1.876 1.691 0.800) 2.649 8.322 ( 6.856 0.597 -2.683) 7.387 8.499 ( 2.595 8.287 2.311) 8.986 8.806 ( -4.354 -5.463 -10.854) 12.908 10.615 ( -1.508 4.167 3.576) 5.694 10.794 ( 0.208 -3.229 -2.438) 4.052 11.279 ( 2.272 8.840 -1.102) 9.193 11.400 ( -0.456 3.486 6.343) 7.252 12.632 ( 1.821 11.969 -6.383) 13.686 13.179 ( -1.115 -11.909 2.412) 12.202 14.062 ( -3.122 16.669 3.148) 17.249 14.807 ( 4.747 -12.194 -4.142) 13.725 15.342 ( -0.307 0.959 3.786) 3.917 15.382 ( 1.032 -0.613 0.558) 1.324 15.770 ( -4.680 -0.641 -3.960) 6.164 16.039 ( 2.016 -10.887 1.385) 11.159 19.530 ( -1.144 11.556 3.791) 12.215 20.086 ( -1.038 -14.717 -1.623) 14.843 20.513 ( -0.635 6.718 -0.150) 6.750 20.886 ( 2.508 -10.050 -2.834) 10.739 22.681 ( -2.252 9.707 1.529) 10.082 22.742 ( 5.209 2.877 3.022) 6.674 22.838 ( -1.617 -3.328 0.890) 3.806 23.193 ( -1.798 -12.743 -4.303) 13.570 ======================= Grid point 178 (105/156) ======================= q-point: ( 0.15 -0.15 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.956 ( 17.499 7.862 0.000) 19.184 3.966 ( 17.797 21.963 0.000) 28.268 4.252 ( 5.291 0.088 0.000) 5.292 4.715 ( -11.600 0.551 -0.000) 11.613 5.126 ( -14.810 -19.854 -0.000) 24.769 5.689 ( -18.857 -21.363 -0.000) 28.494 5.713 ( -8.422 5.808 0.000) 10.231 6.267 ( -17.624 7.078 0.000) 18.992 6.754 ( -0.563 -19.145 -0.000) 19.153 7.098 ( -10.305 -15.755 -0.000) 18.825 7.344 ( -0.057 -8.339 -0.000) 8.339 7.653 ( 15.325 12.512 0.000) 19.784 7.817 ( 11.434 5.683 0.000) 12.769 8.316 ( 12.671 9.678 0.000) 15.944 8.360 ( -6.500 3.653 0.000) 7.456 8.993 ( 4.732 -12.877 -0.000) 13.719 9.815 ( 26.250 31.481 0.000) 40.989 10.953 ( -1.014 -11.767 -0.000) 11.810 10.964 ( 13.993 -4.531 -0.000) 14.709 11.568 ( 2.222 4.169 0.000) 4.724 12.010 ( -7.938 9.358 0.000) 12.271 13.700 ( -2.456 -13.662 -0.000) 13.881 14.349 ( -7.383 -3.847 -0.000) 8.325 14.445 ( 15.626 13.738 0.000) 20.806 15.114 ( 5.768 1.763 0.000) 6.031 15.409 ( 0.363 -2.587 -0.000) 2.613 15.692 ( -10.860 4.059 0.000) 11.594 16.856 ( -18.488 -2.835 -0.000) 18.704 19.729 ( 20.086 -8.388 -0.000) 21.767 19.928 ( -5.217 -13.158 -0.000) 14.154 20.624 ( -21.232 9.155 0.000) 23.121 20.896 ( 0.798 9.661 0.000) 9.694 22.713 ( 6.073 2.703 0.000) 6.647 22.754 ( -0.088 2.949 0.000) 2.950 22.995 ( -2.863 3.050 0.000) 4.183 23.476 ( -11.683 -13.055 -0.000) 17.519 ======================= Grid point 180 (106/156) ======================= q-point: ( 0.15 0.25 -0.65) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.002 ( 0.536 -2.391 -2.772) 3.699 4.064 ( -1.702 -2.307 -0.455) 2.903 4.284 ( 14.215 2.221 2.412) 14.589 4.381 ( 11.443 3.341 -2.082) 12.101 5.005 ( -8.908 -5.217 5.454) 11.676 5.398 ( -1.361 1.290 -2.328) 2.989 5.560 ( 5.684 -0.958 4.410) 7.258 5.596 ( 4.854 4.166 -2.886) 7.018 7.054 ( -7.997 2.470 7.022) 10.925 7.226 ( -3.426 -4.714 6.289) 8.574 7.418 ( -12.204 13.237 -4.468) 18.551 8.056 ( 15.455 -8.613 -0.878) 17.715 8.186 ( -7.202 -1.496 0.280) 7.361 8.349 ( 0.558 -4.203 -2.006) 4.691 8.548 ( -7.393 -1.866 -1.605) 7.792 8.713 ( 1.461 6.937 -5.249) 8.821 10.684 ( -2.508 1.197 -2.078) 3.470 10.759 ( 4.085 -3.935 -0.071) 5.673 11.230 ( -9.575 1.702 3.622) 10.377 11.481 ( 0.786 -0.951 -1.786) 2.170 12.530 ( -17.905 -3.815 4.120) 18.764 13.235 ( 13.442 6.177 -3.453) 15.191 14.147 ( -12.483 0.299 -5.728) 13.738 14.743 ( 10.288 -5.224 2.603) 11.829 15.344 ( -0.793 2.828 2.853) 4.095 15.390 ( 2.266 -2.591 0.924) 3.564 15.705 ( -5.125 3.622 2.032) 6.596 16.078 ( 13.079 -1.127 -2.429) 13.350 19.612 ( -7.122 3.245 -4.710) 9.135 20.042 ( 14.121 -2.747 3.040) 14.703 20.500 ( -8.882 4.706 1.130) 10.114 20.844 ( 6.784 -4.987 1.470) 8.547 22.699 ( -5.033 -2.889 -0.413) 5.818 22.786 ( -0.841 4.180 -1.164) 4.420 22.873 ( 1.266 -4.051 -2.640) 4.998 23.120 ( 10.248 3.272 3.000) 11.168 ======================= Grid point 183 (107/156) ======================= q-point: ( 0.15 -0.15 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.966 ( -0.149 -20.139 -0.000) 20.140 4.130 ( 1.040 -12.782 -0.000) 12.824 4.549 ( -4.123 1.064 0.000) 4.258 4.565 ( -12.853 12.597 0.000) 17.996 4.943 ( 13.597 20.843 0.000) 24.886 5.270 ( 2.744 -3.839 -0.000) 4.719 5.623 ( -9.260 3.379 0.000) 9.858 5.800 ( -24.867 -4.233 -0.000) 25.225 6.326 ( 4.715 -26.480 -0.000) 26.896 6.909 ( 11.515 -3.518 -0.000) 12.040 7.239 ( -0.353 -2.528 -0.000) 2.553 7.965 ( 9.335 -7.040 -0.000) 11.692 8.160 ( 9.713 6.785 0.000) 11.848 8.378 ( 3.962 -6.757 -0.000) 7.833 8.787 ( 9.547 7.841 0.000) 12.354 8.897 ( -3.162 8.454 0.000) 9.026 10.660 ( -4.201 -11.187 -0.000) 11.950 10.672 ( 6.996 10.632 0.000) 12.727 11.080 ( 5.999 -0.806 -0.000) 6.053 11.539 ( -4.059 -7.190 -0.000) 8.257 12.279 ( 14.312 13.248 0.000) 19.503 13.361 ( -7.896 -6.886 -0.000) 10.477 14.092 ( -5.760 -9.075 -0.000) 10.749 14.921 ( 12.691 -1.009 -0.000) 12.731 15.198 ( 3.202 -1.760 -0.000) 3.654 15.408 ( 6.686 -3.615 -0.000) 7.601 15.648 ( -16.726 23.016 0.000) 28.452 16.516 ( -15.945 4.609 0.000) 16.597 19.514 ( -6.377 -13.577 -0.000) 15.000 19.937 ( 13.711 -5.284 -0.000) 14.694 20.483 ( -10.439 9.709 0.000) 14.256 21.177 ( -0.952 15.575 0.000) 15.604 22.804 ( -3.962 1.367 0.000) 4.191 22.814 ( -1.986 -0.718 -0.000) 2.112 22.936 ( -8.175 -13.351 -0.000) 15.655 23.088 ( 4.973 7.710 0.000) 9.175 ======================= Grid point 187 (108/156) ======================= q-point: ( 0.15 0.65 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.365 ( 15.502 -6.115 14.705) 22.225 3.762 ( 12.493 -8.486 0.959) 15.133 4.458 ( 7.238 19.051 -7.601) 21.751 4.820 ( -1.421 -6.413 1.537) 6.746 4.942 ( -6.189 -18.613 -4.452) 20.114 5.717 ( -13.204 -18.725 -7.700) 24.171 5.997 ( -2.322 -4.455 -10.815) 11.925 6.336 ( -3.900 -17.204 -2.834) 17.867 6.867 ( -5.836 -11.796 4.680) 13.968 6.895 ( -18.199 0.807 2.128) 18.340 7.193 ( 3.618 -4.029 11.042) 12.299 7.448 ( -1.309 -10.979 2.324) 11.299 7.755 ( 7.671 8.198 -8.452) 14.053 8.293 ( 6.620 -10.268 -9.904) 15.728 8.448 ( 0.338 16.368 4.264) 16.917 8.873 ( 4.506 6.600 -0.437) 8.004 10.099 ( 20.212 30.483 -3.212) 36.716 10.544 ( 8.635 -0.280 5.249) 10.109 10.885 ( -3.063 -0.220 -2.737) 4.114 11.389 ( 8.616 -3.536 2.544) 9.654 12.437 ( -15.394 4.114 -2.617) 16.148 13.303 ( 0.691 -5.054 25.501) 26.006 14.251 ( 3.887 -10.310 -2.318) 11.260 14.568 ( 3.956 8.116 -12.555) 15.465 15.039 ( 1.842 -0.834 0.658) 2.127 15.283 ( 1.498 -6.195 -2.659) 6.906 16.248 ( -10.335 19.085 1.073) 21.730 17.214 ( -13.968 6.700 1.075) 15.529 19.232 ( 11.247 0.137 3.722) 11.848 19.864 ( -3.070 -8.469 -4.917) 10.263 20.997 ( 2.199 8.511 2.668) 9.186 21.280 ( -17.114 5.987 -6.463) 19.249 22.507 ( 10.355 -2.414 3.658) 11.245 22.740 ( 4.942 2.170 1.230) 5.536 23.075 ( -1.827 0.358 1.170) 2.199 23.479 ( -10.029 -12.768 -3.626) 16.636 ======================= Grid point 188 (109/156) ======================= q-point: ( 0.15 -0.15 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.755 ( -5.896 -17.708 -0.000) 18.664 3.774 ( 11.840 -6.192 -0.000) 13.361 4.435 ( -14.719 0.134 -0.000) 14.720 4.789 ( 13.114 12.043 0.000) 17.805 5.226 ( -19.992 0.950 -0.000) 20.014 5.467 ( 4.280 9.264 0.000) 10.205 5.480 ( -6.494 6.111 0.000) 8.917 5.761 ( 12.577 25.497 0.000) 28.430 5.945 ( 11.541 -23.762 -0.000) 26.416 7.162 ( -3.575 -0.308 -0.000) 3.588 7.221 ( 13.312 -0.066 0.000) 13.312 8.040 ( 11.830 -5.265 -0.000) 12.949 8.145 ( 3.763 -19.304 -0.000) 19.667 8.290 ( -5.137 1.513 0.000) 5.355 8.962 ( 6.033 -5.574 -0.000) 8.214 9.130 ( -6.434 15.175 0.000) 16.483 10.351 ( -4.563 -8.708 -0.000) 9.831 10.716 ( 5.919 -5.164 -0.000) 7.855 11.067 ( -12.842 -20.985 -0.000) 24.602 11.206 ( 2.901 -0.731 -0.000) 2.992 12.984 ( 18.590 16.613 0.000) 24.931 13.130 ( -12.500 3.763 0.000) 13.054 13.722 ( -6.937 -13.427 -0.000) 15.113 14.924 ( 4.052 -9.920 -0.000) 10.716 15.235 ( 3.638 -0.471 -0.000) 3.668 15.385 ( -0.647 -5.410 -0.000) 5.448 16.069 ( -3.438 32.541 0.000) 32.722 16.357 ( -11.040 5.586 0.000) 12.373 19.155 ( -3.033 -11.241 -0.000) 11.643 20.102 ( 9.462 -1.310 -0.000) 9.552 20.561 ( -2.038 8.580 0.000) 8.819 21.454 ( -5.494 17.396 0.000) 18.243 22.397 ( -4.988 -13.490 -0.000) 14.383 22.666 ( -4.347 -5.306 -0.000) 6.859 22.924 ( -0.855 4.669 0.000) 4.746 23.439 ( 8.225 10.768 0.000) 13.550 ======================= Grid point 192 (110/156) ======================= q-point: ( 0.15 0.65 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.386 ( 9.170 -14.935 12.330) 21.429 3.696 ( 8.105 -17.093 4.137) 19.364 4.492 ( -1.973 -9.341 3.205) 10.070 4.800 ( 6.640 0.286 -4.761) 8.176 4.910 ( 4.230 3.417 6.946) 8.821 5.401 ( 0.339 3.400 -11.590) 12.083 5.726 ( 1.948 -17.774 -7.385) 19.346 5.880 ( -4.081 -15.279 -18.643) 24.448 6.482 ( -24.661 7.144 2.599) 25.806 6.647 ( 5.232 -2.428 0.760) 5.818 7.281 ( 9.591 -5.995 13.964) 17.970 7.379 ( 5.437 -2.084 0.362) 5.835 8.089 ( 8.242 -2.834 -13.548) 16.110 8.119 ( 7.780 -8.524 -9.993) 15.266 8.728 ( 0.055 5.141 2.821) 5.864 9.108 ( 3.683 7.964 3.214) 9.344 10.547 ( -2.279 -4.933 12.016) 13.188 10.833 ( -3.531 6.252 -4.390) 8.416 11.019 ( 6.336 13.609 -0.934) 15.041 11.342 ( 0.484 -10.941 -1.856) 11.108 12.391 ( 3.881 10.958 -2.066) 11.807 13.211 ( -2.662 0.228 26.043) 26.180 13.994 ( -2.243 -13.623 -2.516) 14.034 14.841 ( 7.598 0.605 -16.332) 18.023 15.031 ( 2.816 -2.150 5.824) 6.817 15.206 ( 2.617 -5.444 -3.693) 7.080 16.511 ( -13.112 28.328 5.312) 31.664 17.033 ( -19.848 11.296 -1.534) 22.889 19.388 ( -0.538 -1.938 3.417) 3.965 19.713 ( 6.700 -3.509 -8.907) 11.685 20.864 ( -14.810 1.683 0.339) 14.910 21.480 ( 2.425 16.292 0.790) 16.491 22.575 ( 1.016 -7.975 9.748) 12.635 22.881 ( 3.001 3.498 1.861) 4.971 22.985 ( -7.251 -8.716 -4.927) 12.363 23.094 ( 4.681 -2.266 -6.747) 8.519 ======================= Grid point 193 (111/156) ======================= q-point: ( 0.15 -0.15 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.175 ( -12.331 -19.176 -0.000) 22.798 3.845 ( -13.978 -13.172 -0.000) 19.207 4.055 ( 5.728 -5.049 -0.000) 7.636 5.101 ( -12.335 19.805 0.000) 23.332 5.153 ( 3.606 -2.032 -0.000) 4.140 5.736 ( 1.185 26.645 0.000) 26.672 5.891 ( 24.618 -10.618 -0.000) 26.811 5.952 ( 9.299 18.428 0.000) 20.641 6.584 ( 10.626 24.406 0.000) 26.618 7.052 ( -5.841 4.456 0.000) 7.346 7.355 ( 7.902 -9.657 -0.000) 12.478 7.838 ( 2.482 -16.696 -0.000) 16.880 8.001 ( -16.835 -6.000 -0.000) 17.872 8.107 ( -1.589 -2.533 -0.000) 2.990 8.916 ( 11.719 -13.758 -0.000) 18.073 9.153 ( -6.108 1.677 0.000) 6.334 10.069 ( -11.436 -19.267 -0.000) 22.405 10.372 ( -1.525 -10.576 -0.000) 10.685 10.881 ( 11.824 0.951 0.000) 11.862 11.192 ( 2.103 -3.509 -0.000) 4.091 12.911 ( -19.417 4.563 0.000) 19.946 13.335 ( -5.908 -8.967 -0.000) 10.738 13.583 ( 11.697 9.948 0.000) 15.355 14.812 ( 4.136 -7.476 -0.000) 8.544 15.179 ( -8.394 -5.039 -0.000) 9.790 15.342 ( 5.827 1.274 0.000) 5.964 16.243 ( -8.581 2.162 0.000) 8.849 16.690 ( 5.002 24.956 0.000) 25.452 18.952 ( 2.360 -7.237 -0.000) 7.612 20.230 ( 6.234 -3.789 -0.000) 7.296 20.722 ( 1.456 8.385 0.000) 8.510 21.626 ( -10.258 13.111 0.000) 16.647 22.198 ( 3.303 -4.327 -0.000) 5.443 22.495 ( 0.215 -4.760 -0.000) 4.765 22.985 ( -1.920 3.592 0.000) 4.073 23.798 ( 6.514 8.218 0.000) 10.487 ======================= Grid point 196 (112/156) ======================= q-point: ( 0.15 0.45 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 14.196 -14.576 22.804) 30.561 2.881 ( 9.717 -23.870 17.855) 31.353 4.438 ( -7.372 -5.774 -3.835) 10.119 4.598 ( -0.425 -15.858 18.918) 24.689 4.771 ( 9.852 -1.062 -11.604) 15.259 5.208 ( 11.052 -15.774 4.209) 19.715 5.501 ( 1.918 -12.574 -1.759) 12.841 5.856 ( 6.233 -6.835 -10.719) 14.159 6.406 ( 3.392 -13.229 -15.010) 20.294 6.767 ( -9.661 -3.364 -5.271) 11.507 7.051 ( 8.304 1.322 1.191) 8.492 7.587 ( -7.600 6.212 -10.271) 14.207 8.051 ( 8.475 -1.761 -12.561) 15.255 8.231 ( 3.283 -6.584 -25.578) 26.615 8.934 ( 1.093 2.589 0.372) 2.835 9.099 ( -4.552 9.639 -0.834) 10.693 10.241 ( -2.439 9.844 22.241) 24.444 11.141 ( -2.370 10.393 1.798) 10.810 11.244 ( -1.076 3.526 1.989) 4.190 11.298 ( -0.902 5.636 -4.523) 7.283 12.498 ( -5.340 -1.241 22.417) 23.078 12.640 ( 4.741 1.225 9.824) 10.976 13.700 ( 7.130 -21.358 -9.477) 24.430 14.745 ( 4.536 1.006 9.599) 10.664 14.840 ( 0.032 -5.367 5.832) 7.926 15.504 ( -1.430 2.694 -23.956) 24.150 17.146 ( -14.498 31.663 17.773) 39.097 17.760 ( -13.812 16.163 -2.232) 21.377 19.408 ( 3.363 10.141 -0.546) 10.698 19.767 ( -0.179 -3.634 -9.513) 10.185 21.089 ( -10.883 -4.533 4.368) 12.573 21.735 ( 0.141 12.741 0.911) 12.774 22.233 ( 4.542 -5.126 0.626) 6.877 22.764 ( 8.038 -0.325 2.219) 8.345 22.919 ( -1.801 -7.098 1.510) 7.477 23.058 ( 3.153 -16.227 -14.266) 21.835 ======================= Grid point 197 (113/156) ======================= q-point: ( 0.15 0.65 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.363 ( 13.791 -7.193 2.664) 15.781 3.464 ( 1.382 -15.141 2.803) 15.460 4.452 ( 6.395 -2.257 9.054) 11.313 4.898 ( 2.529 -1.473 -12.765) 13.096 5.122 ( 9.539 3.632 9.203) 13.743 5.221 ( 0.976 -12.309 -9.671) 15.684 5.593 ( 11.594 -5.477 -9.395) 15.896 5.999 ( 2.240 14.200 -5.039) 15.233 6.250 ( -7.394 11.639 -3.268) 14.171 6.894 ( 14.595 -1.155 2.126) 14.794 7.321 ( 9.667 -6.447 12.315) 16.932 7.512 ( -1.029 7.631 -0.927) 7.756 7.936 ( 4.623 -9.074 -19.587) 22.076 8.270 ( 6.399 -5.656 -1.706) 8.709 8.681 ( -1.625 -6.237 0.494) 6.464 9.249 ( -0.502 -2.621 5.397) 6.020 10.286 ( -8.559 -6.986 13.004) 17.064 10.740 ( -7.025 4.531 -5.868) 10.213 10.972 ( -10.803 -13.740 -6.158) 18.532 11.181 ( -2.335 0.059 -0.221) 2.346 12.901 ( 7.243 13.430 14.487) 21.041 13.299 ( 6.314 9.064 12.141) 16.414 13.619 ( -5.592 -14.334 -4.277) 15.970 14.819 ( 0.486 -6.473 -13.052) 14.577 15.137 ( 4.498 0.589 -2.083) 4.991 15.169 ( 5.108 -5.247 1.668) 7.510 16.649 ( -17.342 11.653 10.731) 23.488 17.027 ( -15.431 25.094 -4.793) 29.846 19.178 ( -7.933 -4.739 -7.605) 11.968 19.913 ( 8.526 1.128 -0.840) 8.641 20.706 ( -2.018 1.279 -0.025) 2.389 21.766 ( -5.350 12.441 11.373) 17.685 22.339 ( -2.775 -3.759 -3.257) 5.696 22.648 ( -4.932 -11.743 -5.881) 14.029 23.002 ( 1.337 3.643 1.541) 4.176 23.365 ( 13.761 3.827 -1.159) 14.330 ======================= Grid point 198 (114/156) ======================= q-point: ( 0.15 -0.15 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( -19.664 -7.131 -0.000) 20.917 3.031 ( -31.289 -11.888 -0.000) 33.471 4.235 ( 14.713 -1.102 -0.000) 14.755 5.096 ( -5.306 1.530 0.000) 5.522 5.323 ( -7.788 18.170 0.000) 19.768 5.947 ( -31.259 6.338 0.000) 31.895 6.169 ( 20.768 -5.498 -0.000) 21.484 6.694 ( -18.097 2.979 0.000) 18.341 6.743 ( 10.436 18.702 0.000) 21.416 7.208 ( 7.472 6.063 0.000) 9.622 7.364 ( -17.095 -4.275 -0.000) 17.622 7.511 ( 21.059 -2.515 -0.000) 21.209 7.737 ( 8.721 -8.718 -0.000) 12.332 8.068 ( -0.041 2.240 0.000) 2.241 8.743 ( -3.699 -14.648 -0.000) 15.108 9.023 ( 1.836 -9.155 -0.000) 9.337 9.383 ( 1.065 -17.650 -0.000) 17.682 10.546 ( 13.885 2.971 0.000) 14.199 11.097 ( 3.958 1.600 0.000) 4.269 11.204 ( 3.318 -0.276 -0.000) 3.329 12.505 ( -18.484 -5.270 -0.000) 19.221 13.154 ( -9.975 7.168 0.000) 12.283 13.881 ( 7.190 2.165 0.000) 7.509 14.817 ( 5.416 -2.429 -0.000) 5.936 14.876 ( -10.264 -4.212 -0.000) 11.095 15.491 ( 4.819 0.712 0.000) 4.872 16.097 ( -4.258 -2.028 -0.000) 4.716 17.265 ( 11.181 14.049 0.000) 17.956 18.980 ( 7.311 0.788 0.000) 7.353 20.201 ( 0.373 -4.051 -0.000) 4.069 20.969 ( 9.032 4.194 0.000) 9.959 21.511 ( -11.954 -1.418 -0.000) 12.038 22.282 ( 4.032 2.816 0.000) 4.918 22.536 ( 4.317 2.923 0.000) 5.214 22.978 ( -3.850 1.274 0.000) 4.056 24.015 ( 3.466 2.681 0.000) 4.382 ======================= Grid point 201 (115/156) ======================= q-point: ( 0.15 0.45 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( 17.556 -16.009 15.787) 28.526 2.774 ( 23.006 -7.311 18.312) 30.300 4.377 ( -0.059 4.923 -5.718) 7.545 4.570 ( 15.957 -0.832 25.485) 30.080 4.897 ( 12.877 -6.475 -11.941) 18.717 5.110 ( 8.078 -12.103 0.698) 14.568 5.486 ( 7.830 -1.294 -6.574) 10.306 6.050 ( 13.351 -0.747 -9.688) 16.513 6.218 ( 9.629 -8.389 -11.955) 17.494 6.681 ( -3.595 6.787 2.270) 8.008 7.193 ( 7.884 -4.683 -1.862) 9.357 7.672 ( -0.716 8.200 -9.689) 12.714 8.045 ( 4.087 -10.900 -11.396) 16.291 8.200 ( 4.094 -3.175 -29.481) 29.933 8.947 ( -3.102 0.421 -3.899) 5.000 9.103 ( -9.813 3.747 3.712) 11.141 10.123 ( -18.120 2.802 22.794) 29.254 11.110 ( -6.405 1.652 -5.961) 8.904 11.120 ( -11.073 1.621 3.001) 11.586 11.309 ( -7.196 1.105 1.023) 7.352 12.490 ( 1.242 1.868 35.124) 35.196 13.041 ( 14.868 2.344 0.359) 15.056 13.457 ( 10.933 -10.533 -11.409) 18.991 14.745 ( -0.178 -3.832 7.401) 8.336 14.866 ( 6.690 -0.980 7.509) 10.104 15.494 ( -3.423 1.534 -23.964) 24.256 17.120 ( -30.605 13.683 17.390) 37.766 17.817 ( -14.803 14.218 -0.228) 20.526 19.500 ( -7.982 -2.180 -12.102) 14.660 19.825 ( 4.769 0.918 -1.572) 5.104 20.772 ( -4.052 3.934 2.713) 6.265 21.850 ( -9.212 4.827 11.688) 15.645 22.382 ( 8.487 4.179 -5.045) 10.721 22.563 ( -2.641 -15.116 -5.302) 16.235 22.938 ( 5.308 0.984 2.427) 5.919 23.129 ( 18.151 -3.647 -9.051) 20.608 ======================= Grid point 202 (116/156) ======================= q-point: ( 0.15 0.65 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.144 ( -5.791 -7.780 1.182) 9.770 3.566 ( 12.201 -3.913 -1.029) 12.855 4.345 ( -16.155 -1.973 -6.986) 17.710 4.870 ( 8.739 -3.709 2.480) 9.812 5.241 ( 21.555 -8.929 -9.307) 25.119 5.624 ( 4.957 16.213 -1.625) 17.032 5.907 ( 18.652 4.783 -7.279) 20.585 6.194 ( 0.203 21.589 8.600) 23.240 6.710 ( 17.358 -0.415 -0.738) 17.379 7.090 ( 9.328 1.469 0.399) 9.451 7.364 ( 1.237 -2.633 2.462) 3.811 7.554 ( -8.888 5.535 -2.223) 10.703 8.033 ( 6.705 3.267 -3.716) 8.333 8.120 ( -4.371 -10.425 2.599) 11.599 8.490 ( -1.303 -6.490 -1.737) 6.843 8.940 ( -3.677 -16.712 1.409) 17.170 9.938 ( -11.422 -11.197 5.398) 16.881 10.431 ( -13.646 -5.369 -5.491) 15.659 10.910 ( 3.712 11.757 -3.195) 12.736 11.068 ( -1.100 -4.723 0.120) 4.851 13.080 ( -5.454 0.670 16.296) 17.198 13.159 ( -5.000 -8.673 9.296) 13.661 13.808 ( 8.913 13.971 -7.409) 18.152 14.688 ( 0.328 -6.197 -10.803) 12.459 15.106 ( -0.335 -4.410 1.887) 4.808 15.258 ( 5.548 -0.118 -1.730) 5.813 16.442 ( -13.806 1.106 5.636) 14.953 17.210 ( -9.937 16.150 -0.078) 18.963 18.975 ( -4.985 -0.139 -6.154) 7.921 20.025 ( 6.012 -3.569 0.417) 7.004 20.785 ( 1.636 3.634 -0.519) 4.019 21.811 ( -5.586 3.055 11.328) 12.994 22.273 ( -2.763 -3.877 -8.316) 9.582 22.457 ( 1.921 3.344 -3.520) 5.221 23.073 ( -0.603 2.227 1.081) 2.548 23.688 ( 11.189 1.038 1.125) 11.294 ======================= Grid point 203 (117/156) ======================= q-point: ( 0.20 -0.20 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( -20.668 18.868 0.000) 27.986 2.906 ( -32.862 0.299 -0.000) 32.863 4.245 ( 15.051 1.959 0.000) 15.178 5.047 ( -2.887 -6.778 -0.000) 7.367 5.626 ( -8.458 9.333 0.000) 12.595 5.944 ( -41.739 -3.273 -0.000) 41.867 6.042 ( 23.349 -6.753 -0.000) 24.306 6.913 ( -18.807 12.070 0.000) 22.347 6.975 ( -20.816 6.075 0.000) 21.684 7.175 ( 17.812 -12.439 -0.000) 21.726 7.367 ( 18.711 -5.642 -0.000) 19.543 7.422 ( 0.562 5.050 0.000) 5.081 7.670 ( 16.746 4.921 0.000) 17.454 8.070 ( -17.374 2.545 0.000) 17.559 8.665 ( 11.413 -23.477 -0.000) 26.104 8.749 ( 2.601 11.809 0.000) 12.092 9.060 ( 8.637 -12.842 -0.000) 15.476 10.638 ( 12.320 6.123 0.000) 13.758 11.136 ( 2.422 1.128 0.000) 2.671 11.253 ( 0.206 5.194 0.000) 5.199 12.295 ( -16.002 -13.155 -0.000) 20.715 13.449 ( -11.914 18.408 0.000) 21.927 13.913 ( 7.274 1.399 0.000) 7.407 14.731 ( -0.300 -6.762 -0.000) 6.769 14.846 ( -2.450 2.077 0.000) 3.212 15.487 ( 2.767 -1.109 -0.000) 2.981 16.014 ( -1.417 -5.863 -0.000) 6.031 17.430 ( 10.134 1.440 0.000) 10.236 19.122 ( 7.322 12.930 0.000) 14.860 20.145 ( 0.857 -1.186 -0.000) 1.463 20.980 ( 9.578 -2.485 -0.000) 9.896 21.323 ( -9.397 -15.907 -0.000) 18.475 22.394 ( 1.468 7.245 0.000) 7.392 22.631 ( 2.531 5.110 0.000) 5.703 22.989 ( -4.518 -0.217 -0.000) 4.523 24.005 ( 4.539 -3.487 -0.000) 5.723 ======================= Grid point 205 (118/156) ======================= q-point: ( 0.20 0.20 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -0.000 -0.000 33.556) 33.556 1.315 ( -0.000 -0.000 33.556) 33.556 2.755 ( -0.000 -0.000 69.545) 69.545 4.827 ( 0.000 0.000 -16.148) 16.148 4.827 ( 0.000 0.000 -16.148) 16.148 4.854 ( -0.000 -0.000 2.706) 2.706 5.353 ( 0.000 0.000 -3.948) 3.948 5.745 ( -0.000 -0.000 0.005) 0.005 5.745 ( -0.000 -0.000 0.005) 0.005 7.041 ( 0.000 0.000 -13.245) 13.245 7.041 ( 0.000 0.000 -13.245) 13.245 8.209 ( 0.000 0.000 -18.534) 18.534 8.209 ( 0.000 0.000 -18.534) 18.534 8.576 ( 0.000 0.000 -22.023) 22.023 8.579 ( -0.000 -0.000 9.355) 9.355 9.683 ( 0.000 0.000 -8.380) 8.380 10.959 ( -0.000 -0.000 2.328) 2.328 11.237 ( -0.000 -0.000 10.337) 10.337 11.237 ( -0.000 -0.000 10.337) 10.337 11.518 ( 0.000 0.000 -2.779) 2.779 11.762 ( -0.000 -0.000 33.867) 33.867 12.685 ( 0.000 0.000 -1.815) 1.815 12.685 ( 0.000 0.000 -1.815) 1.815 14.554 ( -0.000 -0.000 9.237) 9.237 14.554 ( -0.000 -0.000 9.237) 9.237 16.032 ( 0.000 0.000 -18.429) 18.429 18.307 ( 0.000 0.000 -1.952) 1.952 18.743 ( 0.000 0.000 -4.957) 4.957 19.767 ( 0.000 0.000 -1.821) 1.821 19.767 ( 0.000 0.000 -1.821) 1.821 20.818 ( -0.000 -0.000 7.063) 7.063 21.690 ( 0.000 0.000 -4.428) 4.428 22.157 ( -0.000 -0.000 6.236) 6.236 22.417 ( -0.000 -0.000 1.373) 1.373 22.417 ( -0.000 -0.000 1.373) 1.373 22.871 ( 0.000 0.000 -2.513) 2.513 ======================= Grid point 206 (119/156) ======================= q-point: ( 0.20 0.40 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 16.709 -5.014 23.008) 28.874 2.747 ( 25.878 2.984 18.196) 31.776 4.517 ( 1.853 7.014 -5.614) 9.173 4.584 ( 16.937 0.445 11.532) 20.495 4.705 ( 18.959 -8.664 2.944) 21.052 5.037 ( 4.666 4.113 1.693) 6.446 5.487 ( 13.640 0.396 -1.106) 13.691 5.876 ( 4.869 -8.130 -15.425) 18.103 6.293 ( 17.974 7.648 -10.369) 22.115 6.847 ( 0.007 9.266 2.403) 9.573 6.994 ( 8.075 -11.707 -3.752) 14.708 7.786 ( -1.129 -8.654 -12.218) 15.015 7.879 ( -0.745 6.282 -14.680) 15.985 8.180 ( 5.362 1.129 -28.536) 29.058 8.907 ( 2.037 -0.791 0.302) 2.206 9.173 ( -15.658 -0.190 -1.750) 15.756 10.213 ( -19.722 4.479 22.624) 30.346 11.127 ( -14.199 2.024 3.168) 14.688 11.221 ( -4.239 4.883 -3.484) 7.345 11.300 ( -9.105 -1.494 0.266) 9.231 12.526 ( 2.764 1.665 36.519) 36.661 12.811 ( 5.022 -17.205 -2.303) 18.070 13.515 ( 23.155 9.770 -9.209) 26.766 14.701 ( -1.078 -0.172 9.115) 9.180 14.847 ( 5.565 -0.710 6.471) 8.564 15.515 ( -3.277 0.323 -24.695) 24.913 17.285 ( -36.475 1.324 15.414) 39.620 17.950 ( -15.555 -2.317 1.251) 15.776 19.413 ( -10.012 -4.176 -4.160) 11.618 19.795 ( 3.156 -2.292 -5.989) 7.147 21.024 ( -1.150 15.493 4.071) 16.060 21.828 ( -6.303 -7.404 3.051) 10.191 22.244 ( 3.525 -7.448 -5.566) 9.944 22.579 ( 3.672 9.220 0.644) 9.945 22.940 ( 5.674 -0.584 1.878) 6.005 23.064 ( 20.668 -2.396 -9.772) 22.987 ======================= Grid point 207 (120/156) ======================= q-point: ( 0.20 0.60 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.126 ( -0.469 6.153 8.887) 10.820 3.569 ( 8.383 5.034 -0.650) 9.800 4.353 ( -18.451 2.802 -8.277) 20.415 4.825 ( 8.661 -0.577 3.278) 9.278 5.081 ( 21.500 -7.053 -8.065) 24.022 5.857 ( 10.312 2.515 -6.432) 12.411 5.973 ( 18.122 3.070 -9.625) 20.747 6.509 ( 13.755 -12.065 3.584) 18.644 6.629 ( 14.449 19.773 9.371) 26.221 7.145 ( 4.284 -0.098 6.505) 7.789 7.262 ( 1.769 -10.156 -2.554) 10.621 7.604 ( -7.550 0.800 -3.285) 8.273 7.789 ( 7.278 -17.861 1.197) 19.324 8.147 ( 8.706 6.155 -7.390) 12.973 8.501 ( -15.000 -1.553 5.341) 15.998 8.733 ( -4.861 3.789 -5.800) 8.463 9.826 ( -24.530 3.373 -0.027) 24.761 10.420 ( -8.394 3.138 0.344) 8.967 10.966 ( -0.426 -4.542 -0.589) 4.600 11.170 ( 3.358 12.186 -0.070) 12.641 12.784 ( -5.457 -17.354 -2.329) 18.340 13.247 ( 1.109 4.859 29.395) 29.815 14.072 ( 7.245 11.580 -7.045) 15.369 14.584 ( -1.575 -3.693 -11.889) 12.549 15.037 ( -0.639 -1.845 1.467) 2.442 15.263 ( 5.842 0.576 -2.404) 6.343 16.406 ( -16.806 -4.786 3.334) 17.789 17.375 ( -9.193 -0.435 1.235) 9.286 19.041 ( -3.145 6.534 -2.330) 7.617 19.941 ( 6.883 -4.215 -0.745) 8.106 20.886 ( -3.675 6.080 -0.037) 7.104 21.661 ( -5.553 -16.346 -0.589) 17.274 22.303 ( 2.376 7.903 0.382) 8.261 22.604 ( -0.177 7.986 -1.291) 8.092 23.096 ( -0.461 -0.031 1.220) 1.304 23.642 ( 12.349 -5.371 -0.589) 13.479 ======================= Grid point 225 (121/156) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.771 ( 5.419 11.880 3.420) 13.498 4.127 ( 3.342 -3.187 -2.187) 5.110 4.318 ( -1.127 2.520 6.130) 6.723 4.556 ( -13.553 -9.388 -4.038) 16.975 4.945 ( 2.756 -2.677 4.969) 6.281 5.434 ( -3.430 -2.187 2.983) 5.045 5.528 ( -7.145 1.960 1.325) 7.526 5.761 ( -5.179 -12.911 -8.736) 16.426 7.023 ( 3.246 11.710 2.295) 12.366 7.033 ( 3.166 3.783 6.240) 7.954 7.608 ( 11.664 1.038 -24.422) 27.084 7.932 ( 9.210 3.857 8.952) 13.411 8.196 ( -5.422 -4.466 2.040) 7.315 8.272 ( -0.745 0.292 9.536) 9.569 8.485 ( -1.214 5.641 5.283) 7.823 8.864 ( -1.783 -6.578 -15.708) 17.123 10.648 ( 10.053 3.690 8.629) 13.752 10.708 ( -2.098 0.974 -5.437) 5.908 11.225 ( 0.825 3.013 0.439) 3.154 11.427 ( -0.442 3.993 2.122) 4.543 12.434 ( 14.985 4.529 4.086) 16.179 13.298 ( -9.752 2.425 -8.125) 12.922 14.051 ( 5.023 4.915 -2.340) 7.407 14.773 ( -0.782 -4.766 6.723) 8.278 15.313 ( 2.296 4.711 2.356) 5.746 15.410 ( -3.118 -2.749 0.832) 4.240 15.790 ( 1.536 -5.196 -4.237) 6.879 16.164 ( -13.014 -9.509 0.079) 16.118 19.555 ( -1.366 7.880 -3.236) 8.627 20.135 ( -2.035 -10.950 0.062) 11.138 20.502 ( -0.717 4.681 -3.195) 5.712 20.881 ( -0.856 -8.386 5.948) 10.317 22.610 ( 4.939 5.582 0.318) 7.461 22.761 ( -3.322 4.104 2.366) 5.786 22.866 ( -0.762 -2.923 1.080) 3.208 23.278 ( -6.237 -9.854 -4.924) 12.659 ======================= Grid point 228 (122/156) ======================= q-point: ( 0.20 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.486 ( 25.424 9.149 0.000) 27.020 3.646 ( 12.167 22.879 0.000) 25.913 4.114 ( 7.127 -4.001 -0.000) 8.173 4.924 ( -7.762 -0.463 -0.000) 7.776 5.361 ( -8.313 -24.124 -0.000) 25.517 5.852 ( -3.620 6.001 0.000) 7.009 6.077 ( -16.627 -18.671 -0.000) 25.001 6.586 ( -11.936 1.229 0.000) 11.999 6.883 ( -13.444 -7.747 -0.000) 15.516 7.213 ( 0.211 -14.859 -0.000) 14.860 7.411 ( 8.069 10.117 0.000) 12.941 7.489 ( 3.040 -7.482 -0.000) 8.076 7.609 ( -4.061 3.517 0.000) 5.372 8.133 ( 0.113 9.081 0.000) 9.081 8.446 ( -0.182 -3.385 -0.000) 3.390 8.841 ( 10.379 -8.423 -0.000) 13.367 9.309 ( 19.200 35.225 0.000) 40.118 10.652 ( 14.109 -5.963 -0.000) 15.317 10.980 ( -1.858 -8.661 -0.000) 8.858 11.462 ( 8.076 1.864 0.000) 8.288 12.270 ( -15.141 9.823 0.000) 18.049 13.746 ( -2.309 -8.402 -0.000) 8.714 14.079 ( 19.190 10.718 0.000) 21.980 14.504 ( -6.771 -6.371 -0.000) 9.297 15.006 ( 3.962 4.191 0.000) 5.767 15.392 ( 0.759 -5.689 -0.000) 5.740 15.938 ( -11.655 9.672 0.000) 15.145 17.185 ( -12.197 -2.506 -0.000) 12.452 19.327 ( 18.204 -5.334 -0.000) 18.970 20.019 ( -3.506 -9.060 -0.000) 9.715 20.873 ( 1.048 4.124 0.000) 4.255 21.079 ( -22.325 7.289 0.000) 23.485 22.553 ( 9.176 0.016 0.000) 9.176 22.718 ( 3.893 1.213 0.000) 4.077 23.047 ( -1.886 2.996 0.000) 3.540 23.708 ( -10.215 -10.649 -0.000) 14.756 ======================= Grid point 230 (123/156) ======================= q-point: ( 0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.042 ( -3.162 -7.014 2.540) 8.102 4.042 ( 3.162 7.014 2.540) 8.102 4.178 ( -1.774 -8.261 -2.897) 8.932 4.178 ( 1.774 8.261 -2.897) 8.932 5.234 ( -9.712 -8.125 1.791) 12.788 5.234 ( 9.712 8.125 1.791) 12.788 5.557 ( -1.646 -2.094 1.123) 2.890 5.557 ( 1.646 2.094 1.123) 2.890 7.209 ( -0.700 -2.133 8.732) 9.016 7.209 ( 0.700 2.133 8.732) 9.016 7.709 ( 5.322 -10.563 -5.033) 12.855 7.709 ( -5.322 10.563 -5.033) 12.855 8.302 ( -0.436 -2.665 -1.353) 3.021 8.302 ( 0.436 2.665 -1.353) 3.021 8.666 ( -3.527 -7.648 -4.272) 9.444 8.666 ( 3.527 7.648 -4.272) 9.444 10.707 ( 0.731 -4.719 -0.957) 4.870 10.707 ( -0.731 4.719 -0.957) 4.870 11.403 ( -4.671 -2.166 2.238) 5.614 11.403 ( 4.671 2.166 2.238) 5.614 12.907 ( -11.681 -12.222 -0.486) 16.913 12.907 ( 11.681 12.222 -0.486) 16.913 14.452 ( -3.085 -18.385 -1.115) 18.676 14.452 ( 3.085 18.385 -1.115) 18.676 15.362 ( 1.056 -1.101 1.992) 2.509 15.362 ( -1.056 1.101 1.992) 2.509 15.853 ( -2.272 -5.798 -0.847) 6.285 15.853 ( 2.272 5.798 -0.847) 6.285 19.789 ( -2.338 -12.692 0.157) 12.906 19.789 ( 2.338 12.692 0.157) 12.906 20.683 ( -0.809 -8.364 -0.113) 8.404 20.683 ( 0.809 8.364 -0.113) 8.404 22.778 ( -1.952 -2.540 1.587) 3.575 22.778 ( 1.952 2.540 1.587) 3.575 22.931 ( -3.636 -12.086 -1.616) 12.724 22.931 ( 3.636 12.086 -1.616) 12.724 ======================= Grid point 234 (124/156) ======================= q-point: ( 0.20 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.875 ( 10.693 -13.908 -0.000) 17.543 3.992 ( 11.336 -10.619 -0.000) 15.533 4.554 ( 7.577 15.714 0.000) 17.446 4.755 ( -5.819 2.586 0.000) 6.367 4.808 ( -2.877 -5.670 -0.000) 6.358 5.355 ( -11.171 -11.732 -0.000) 16.200 5.792 ( -6.629 -0.078 -0.000) 6.630 6.193 ( -6.340 -21.601 -0.000) 22.512 6.422 ( -20.920 -2.218 -0.000) 21.037 6.797 ( -1.802 -11.940 -0.000) 12.076 7.276 ( -3.437 1.937 0.000) 3.945 7.741 ( 13.141 -9.755 -0.000) 16.366 7.878 ( 15.080 8.993 0.000) 17.558 8.297 ( 4.618 -14.271 -0.000) 15.000 8.592 ( 8.144 12.606 0.000) 15.008 8.932 ( 0.234 8.823 0.000) 8.826 10.437 ( 15.799 26.936 0.000) 31.228 10.753 ( -4.727 -6.662 -0.000) 8.169 10.887 ( 13.426 -1.974 -0.000) 13.570 11.546 ( 3.293 -6.897 -0.000) 7.643 12.177 ( -4.988 7.713 0.000) 9.186 13.507 ( -6.765 -4.192 -0.000) 7.958 14.217 ( -5.894 -8.992 -0.000) 10.752 14.613 ( 16.806 2.801 0.000) 17.038 15.125 ( 3.628 -0.589 -0.000) 3.676 15.306 ( 3.480 -6.177 -0.000) 7.090 15.980 ( -15.176 22.632 0.000) 27.249 16.876 ( -18.431 4.458 0.000) 18.962 19.610 ( 17.077 -3.010 -0.000) 17.340 19.663 ( -7.639 -12.134 -0.000) 14.338 20.784 ( -18.190 6.182 0.000) 19.211 21.149 ( 3.670 14.643 0.000) 15.095 22.758 ( 7.900 1.307 0.000) 8.008 22.824 ( 1.403 3.703 0.000) 3.960 23.045 ( -1.174 1.690 0.000) 2.057 23.176 ( -13.523 -16.015 -0.000) 20.960 ======================= Grid point 239 (125/156) ======================= q-point: ( 0.20 0.80 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.605 ( 5.023 -14.041 -0.000) 14.912 3.812 ( 0.567 -16.552 -0.000) 16.562 4.599 ( 5.550 3.167 0.000) 6.390 4.709 ( -9.707 1.037 0.000) 9.762 5.223 ( 6.928 -0.785 -0.000) 6.972 5.345 ( 14.099 15.361 0.000) 20.851 5.608 ( -0.526 -23.022 -0.000) 23.028 5.696 ( -1.220 5.272 0.000) 5.411 5.982 ( -21.501 3.659 0.000) 21.810 6.873 ( 15.523 0.692 0.000) 15.539 7.305 ( -6.052 8.035 0.000) 10.059 7.772 ( 13.164 -10.958 -0.000) 17.127 8.029 ( 7.712 -20.689 -0.000) 22.079 8.275 ( 6.539 2.958 0.000) 7.177 8.829 ( 6.244 -3.882 -0.000) 7.352 9.195 ( -0.080 13.227 0.000) 13.227 10.502 ( -9.170 -4.178 -0.000) 10.077 10.692 ( -2.873 -4.682 -0.000) 5.493 11.139 ( 4.003 4.096 0.000) 5.728 11.263 ( -6.107 -17.954 -0.000) 18.965 12.610 ( 16.818 18.518 0.000) 25.016 13.348 ( -9.300 4.936 0.000) 10.529 13.870 ( -6.760 -12.609 -0.000) 14.306 14.801 ( 8.013 -8.508 -0.000) 11.687 15.163 ( 3.374 -1.460 -0.000) 3.676 15.300 ( 6.512 -5.467 -0.000) 8.502 16.272 ( -13.749 33.709 0.000) 36.406 16.635 ( -16.265 6.572 0.000) 17.543 19.269 ( -7.509 -10.153 -0.000) 12.628 19.883 ( 12.215 -0.306 0.000) 12.218 20.640 ( -6.790 5.424 0.000) 8.690 21.523 ( -1.010 17.756 0.000) 17.784 22.568 ( -11.216 -15.364 -0.000) 19.022 22.755 ( -3.607 -5.367 -0.000) 6.466 22.932 ( 0.356 4.410 0.000) 4.424 23.242 ( 10.661 6.940 0.000) 12.721 ======================= Grid point 244 (126/156) ======================= q-point: ( 0.20 0.60 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( 10.819 -12.240 17.694) 24.082 3.512 ( 8.941 -15.405 4.383) 18.344 4.563 ( -4.128 -14.475 -5.491) 16.022 4.633 ( 8.157 -4.125 -1.157) 9.213 4.863 ( 1.097 6.983 -0.339) 7.077 5.397 ( -0.997 -11.003 -12.847) 16.944 5.732 ( -1.943 -16.501 -5.823) 17.606 5.999 ( -5.675 -17.430 -5.984) 19.282 6.608 ( 3.349 -10.126 9.113) 14.028 6.899 ( -14.780 -3.903 6.240) 16.511 7.058 ( 2.490 -6.930 2.616) 7.815 7.399 ( -4.402 4.655 0.754) 6.450 7.866 ( 10.903 1.266 -9.631) 14.603 7.980 ( 7.039 -16.211 -21.440) 27.785 8.783 ( -4.721 12.977 3.282) 14.193 8.985 ( 7.831 3.680 -0.356) 8.660 10.486 ( 9.659 7.598 16.592) 20.647 10.793 ( 4.340 22.496 -1.799) 22.982 10.979 ( -2.443 8.678 -6.189) 10.935 11.277 ( 5.740 -5.383 -1.957) 8.109 12.489 ( -12.575 1.683 -1.867) 12.824 13.252 ( -0.886 -0.448 31.689) 31.705 13.978 ( 4.012 -15.941 -1.234) 16.484 14.699 ( 5.115 4.694 -16.962) 18.328 14.997 ( 0.567 -2.947 3.492) 4.604 15.171 ( 1.024 -4.844 -6.049) 7.817 16.740 ( -8.596 28.604 5.446) 30.360 17.426 ( -16.867 13.317 0.213) 21.492 19.286 ( 8.008 4.924 3.032) 9.877 19.700 ( -3.742 -7.002 -7.487) 10.912 21.163 ( -5.856 5.599 5.304) 9.684 21.425 ( -4.603 9.511 -6.905) 12.623 22.437 ( 10.235 -4.555 5.677) 12.559 22.781 ( 6.851 1.589 0.857) 7.085 23.048 ( -1.380 -3.091 1.363) 3.649 23.179 ( -8.548 -16.209 -7.325) 19.735 ======================= Grid point 245 (127/156) ======================= q-point: ( 0.20 -0.20 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.386 ( -7.988 -16.325 -0.000) 18.175 3.664 ( 15.010 -5.427 -0.000) 15.961 4.350 ( -18.985 -6.104 -0.000) 19.942 4.936 ( 14.387 2.318 0.000) 14.572 5.335 ( -4.156 8.335 0.000) 9.314 5.422 ( 20.042 -14.967 -0.000) 25.014 5.672 ( 6.229 10.682 0.000) 12.365 5.875 ( -6.454 18.567 0.000) 19.657 6.291 ( 16.554 25.147 0.000) 30.106 7.152 ( 11.109 -5.154 -0.000) 12.246 7.275 ( -14.102 9.882 0.000) 17.220 7.751 ( 5.151 -17.994 -0.000) 18.717 7.962 ( 16.427 -1.648 -0.000) 16.509 8.277 ( -7.086 -3.044 -0.000) 7.712 8.737 ( 5.301 -14.754 -0.000) 15.677 9.257 ( -4.082 -5.218 -0.000) 6.625 10.217 ( -8.031 -6.558 -0.000) 10.368 10.607 ( -15.602 -20.409 -0.000) 25.690 10.676 ( 6.696 3.877 0.000) 7.737 11.162 ( 0.492 -3.515 -0.000) 3.549 13.266 ( -15.160 6.552 0.000) 16.515 13.322 ( 14.003 15.470 0.000) 20.866 13.459 ( -5.748 -10.161 -0.000) 11.674 14.717 ( 5.001 -9.937 -0.000) 11.124 15.231 ( 4.884 0.023 0.000) 4.884 15.266 ( 0.240 -5.861 -0.000) 5.866 16.455 ( -12.398 3.669 0.000) 12.930 16.717 ( -7.548 29.176 0.000) 30.137 18.973 ( -4.078 -6.221 -0.000) 7.438 20.078 ( 8.025 -1.347 -0.000) 8.137 20.702 ( 0.900 4.884 0.000) 4.966 21.800 ( -6.547 15.095 0.000) 16.454 22.186 ( -2.497 -6.172 -0.000) 6.658 22.520 ( -2.466 -8.416 -0.000) 8.770 23.016 ( -0.979 4.079 0.000) 4.195 23.623 ( 10.674 6.738 0.000) 12.623 ======================= Grid point 249 (128/156) ======================= q-point: ( 0.20 0.60 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.108 ( 11.320 -11.485 9.768) 18.854 3.355 ( 8.620 -15.802 9.331) 20.275 4.331 ( 3.800 -6.020 2.658) 7.599 4.716 ( 10.777 -8.096 -12.433) 18.338 4.955 ( 5.734 2.491 11.211) 12.836 5.353 ( 9.664 -10.609 -6.438) 15.728 5.413 ( -11.429 -9.398 -8.371) 17.000 5.759 ( 11.684 4.764 -13.197) 18.259 6.547 ( -6.802 -7.494 11.420) 15.259 6.636 ( 6.163 2.564 4.510) 8.056 7.081 ( 7.708 -0.378 -1.471) 7.856 7.512 ( 2.426 3.810 0.101) 4.518 7.823 ( 6.971 -11.964 -23.700) 27.449 8.058 ( 12.740 -7.979 -8.243) 17.145 8.800 ( -8.955 3.426 -0.954) 9.635 9.188 ( 5.834 0.594 3.419) 6.788 10.479 ( -9.020 -2.181 15.463) 18.034 10.941 ( -10.955 4.083 -5.446) 12.897 11.158 ( -7.191 -4.509 -1.545) 8.628 11.237 ( -2.390 6.938 -0.588) 7.362 12.665 ( 12.401 14.905 0.841) 19.407 13.252 ( 0.040 2.513 30.076) 30.180 13.672 ( 0.324 -17.064 -1.850) 17.167 14.807 ( 1.043 -2.887 -16.927) 17.203 15.007 ( 5.863 -0.864 4.941) 7.716 15.110 ( 1.907 -3.634 -7.416) 8.476 17.053 ( -20.580 20.628 12.137) 31.565 17.361 ( -16.782 22.204 -5.015) 28.281 19.340 ( -7.170 -2.496 -5.085) 9.137 19.724 ( 9.424 3.970 -2.851) 10.616 20.843 ( -12.062 -3.306 0.862) 12.536 21.824 ( 0.941 16.473 4.818) 17.188 22.387 ( -0.685 -8.709 5.324) 10.231 22.744 ( -4.071 -14.120 -9.026) 17.246 22.943 ( 4.647 2.325 1.621) 5.443 23.074 ( 12.455 -1.061 -2.613) 12.770 ======================= Grid point 250 (129/156) ======================= q-point: ( 0.20 -0.20 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( -15.009 -4.638 -0.000) 15.710 3.598 ( -19.540 -9.443 -0.000) 21.702 3.976 ( 6.347 -1.872 -0.000) 6.617 5.102 ( 4.261 -2.825 -0.000) 5.112 5.503 ( -6.777 16.394 0.000) 17.739 5.674 ( 23.721 -6.759 -0.000) 24.665 6.170 ( 8.775 13.492 0.000) 16.095 6.461 ( 13.816 27.051 0.000) 30.375 6.977 ( -2.597 13.893 0.000) 14.134 7.114 ( 7.538 -9.178 -0.000) 11.877 7.263 ( -5.702 7.486 0.000) 9.410 7.533 ( 4.146 -12.234 -0.000) 12.917 7.871 ( -20.300 -6.352 -0.000) 21.270 8.104 ( -4.421 4.714 0.000) 6.463 8.617 ( 13.396 -12.142 -0.000) 18.080 8.959 ( 3.595 -19.472 -0.000) 19.801 9.584 ( -17.864 -23.357 -0.000) 29.405 10.322 ( 5.829 2.290 0.000) 6.263 10.996 ( 5.643 9.246 0.000) 10.832 11.120 ( 4.127 -2.911 -0.000) 5.050 12.852 ( -14.955 -10.349 -0.000) 18.187 13.366 ( -10.403 11.460 0.000) 15.477 13.741 ( 6.618 5.017 0.000) 8.305 14.681 ( 7.395 -4.851 -0.000) 8.845 15.067 ( -7.359 -5.387 -0.000) 9.120 15.365 ( 6.732 0.931 0.000) 6.796 16.244 ( -9.655 -2.342 -0.000) 9.935 17.125 ( 1.724 16.014 0.000) 16.107 18.887 ( 1.598 1.346 0.000) 2.089 20.150 ( 4.544 -3.785 -0.000) 5.914 20.834 ( 4.189 2.682 0.000) 4.974 21.745 ( -10.777 -3.597 -0.000) 11.361 22.203 ( 3.283 4.589 0.000) 5.643 22.465 ( 2.678 3.325 0.000) 4.270 23.045 ( -2.654 2.071 0.000) 3.366 23.904 ( 7.470 1.859 0.000) 7.698 ======================= Grid point 253 (130/156) ======================= q-point: ( 0.20 0.40 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 18.223 -8.691 24.510) 31.754 2.392 ( 13.718 -21.723 22.961) 34.456 4.248 ( 8.724 -10.099 45.091) 47.025 4.445 ( -1.164 0.627 -12.819) 12.887 4.673 ( 8.814 -8.060 -18.162) 21.738 4.993 ( 3.685 -4.864 1.846) 6.375 5.349 ( 4.647 -3.080 0.733) 5.623 5.792 ( 8.519 0.045 -5.822) 10.319 6.071 ( 7.126 -17.214 -13.854) 23.217 6.759 ( -3.746 2.239 -5.991) 7.412 6.996 ( 9.570 -6.090 -3.153) 11.773 7.722 ( -3.771 6.969 -15.798) 17.674 7.957 ( 4.286 -6.475 -16.483) 18.220 8.127 ( 2.919 -3.450 -30.898) 31.227 8.880 ( 5.085 -4.458 4.181) 7.951 9.327 ( -8.650 9.054 -5.400) 13.636 10.505 ( -16.544 14.439 16.961) 27.747 11.249 ( -6.533 2.349 -0.732) 6.981 11.316 ( -7.374 4.378 6.620) 10.834 11.427 ( -3.075 3.686 1.493) 5.027 12.483 ( -0.764 -0.353 36.094) 36.104 12.724 ( 12.633 6.421 1.221) 14.224 13.223 ( 11.806 -23.534 -7.693) 27.431 14.747 ( 0.586 -2.363 7.439) 7.828 14.759 ( 2.879 -0.663 8.410) 8.914 15.550 ( -1.860 1.679 -26.590) 26.708 17.787 ( -30.861 26.844 14.360) 43.350 18.065 ( -8.913 13.177 -0.723) 15.925 19.605 ( -1.596 5.836 -6.753) 9.067 19.734 ( 2.688 1.504 -4.032) 5.074 20.948 ( -11.509 -5.769 6.051) 14.225 22.015 ( 0.975 13.138 4.646) 13.969 22.098 ( 11.265 -9.517 -6.830) 16.252 22.607 ( -1.453 -16.839 -4.041) 17.377 22.730 ( 13.892 -3.565 0.552) 14.353 22.882 ( 4.306 -3.250 -3.055) 6.200 ======================= Grid point 254 (131/156) ======================= q-point: ( 0.20 0.60 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( 6.786 -10.932 8.995) 15.699 3.319 ( 10.911 -1.175 1.031) 11.023 4.421 ( 7.833 -0.104 5.553) 9.602 4.812 ( 12.607 -6.066 -11.263) 17.961 4.935 ( -6.983 -7.680 -10.870) 15.030 5.389 ( 13.187 14.761 3.491) 20.099 5.507 ( 18.642 -3.429 -7.050) 20.224 6.286 ( 6.075 12.060 0.192) 13.505 6.344 ( 9.284 -5.457 8.080) 13.464 6.862 ( 9.329 3.724 4.456) 10.989 7.294 ( 5.662 1.103 1.676) 6.007 7.624 ( 3.854 2.009 -5.327) 6.875 7.818 ( 10.003 -4.221 -18.451) 21.408 8.037 ( 9.721 -15.811 -4.959) 19.212 8.642 ( -11.072 4.196 -2.870) 12.183 9.087 ( -7.826 -10.142 5.070) 13.778 10.185 ( -12.961 -2.190 13.403) 18.773 10.789 ( -17.883 -4.269 -3.022) 18.632 10.888 ( -3.162 8.848 -6.007) 11.152 11.151 ( -6.914 -2.449 -0.406) 7.346 13.116 ( 1.608 6.895 25.151) 26.128 13.226 ( -0.213 -16.542 1.199) 16.587 13.591 ( 11.057 11.787 1.732) 16.254 14.705 ( -1.855 -4.384 -15.572) 16.284 15.072 ( 3.470 -3.987 1.353) 5.456 15.148 ( 4.924 0.423 -4.055) 6.393 16.809 ( -22.212 4.882 7.457) 23.934 17.494 ( -16.553 16.956 0.628) 23.704 19.120 ( -8.601 -0.763 -7.597) 11.501 19.906 ( 5.392 -2.881 -0.419) 6.128 20.763 ( 0.210 6.394 0.117) 6.398 21.930 ( -6.308 2.450 12.596) 14.299 22.351 ( -4.346 -9.335 -8.834) 13.567 22.410 ( 3.102 3.743 -3.565) 6.028 23.059 ( 2.201 1.760 1.552) 3.217 23.400 ( 16.719 -0.701 -1.392) 16.791 ======================= Grid point 255 (132/156) ======================= q-point: ( 0.25 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.030 ( -13.601 16.164 0.000) 21.125 3.504 ( -21.598 1.081 0.000) 21.625 3.995 ( 5.570 3.744 0.000) 6.711 5.037 ( 3.727 -3.797 -0.000) 5.320 5.501 ( 25.971 -6.105 -0.000) 26.679 5.813 ( -6.477 8.023 0.000) 10.312 6.279 ( 11.780 -2.248 -0.000) 11.992 6.830 ( 14.846 -13.177 -0.000) 19.850 6.995 ( 14.498 22.614 0.000) 26.862 7.201 ( -6.812 -13.026 -0.000) 14.700 7.266 ( -10.692 8.809 0.000) 13.854 7.367 ( 4.016 -2.840 -0.000) 4.918 7.756 ( -16.864 -4.745 -0.000) 17.519 8.317 ( -5.027 11.567 0.000) 12.612 8.456 ( 5.944 -25.990 -0.000) 26.661 8.576 ( 11.178 10.252 0.000) 15.167 9.218 ( -23.551 -9.878 -0.000) 25.539 10.425 ( 6.798 7.855 0.000) 10.388 11.032 ( 5.517 -2.989 -0.000) 6.274 11.251 ( 1.689 11.704 0.000) 11.825 12.583 ( -11.657 -14.761 -0.000) 18.809 13.687 ( -11.008 18.249 0.000) 21.312 13.783 ( 5.127 -0.582 -0.000) 5.160 14.606 ( 9.028 -3.382 -0.000) 9.641 14.983 ( -6.802 -1.990 -0.000) 7.087 15.379 ( 6.738 0.540 0.000) 6.760 16.141 ( -10.504 -7.685 -0.000) 13.015 17.307 ( 1.319 1.205 0.000) 1.787 19.017 ( 2.686 11.195 0.000) 11.512 20.081 ( 5.527 -2.951 -0.000) 6.265 20.859 ( 1.992 0.494 0.000) 2.052 21.503 ( -8.083 -17.833 -0.000) 19.580 22.356 ( 2.123 9.355 0.000) 9.593 22.596 ( 0.899 7.421 0.000) 7.475 23.067 ( -3.001 0.018 -0.000) 3.001 23.870 ( 8.777 -5.100 -0.000) 10.151 ======================= Grid point 258 (133/156) ======================= q-point: ( 0.25 0.35 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 12.448 -3.614 28.338) 31.161 2.211 ( 23.797 3.103 24.918) 34.596 4.150 ( 14.232 0.469 54.062) 55.905 4.516 ( 2.524 -1.875 -17.145) 17.430 4.524 ( 3.916 1.962 -18.566) 19.076 4.950 ( 3.636 0.181 1.857) 4.087 5.318 ( 2.853 -0.738 1.458) 3.288 5.771 ( 5.547 -6.024 -8.625) 11.894 5.903 ( 17.436 6.744 -7.939) 20.311 6.832 ( 1.122 2.767 -6.262) 6.938 6.866 ( 4.232 -3.380 -6.877) 8.753 7.817 ( -1.813 -4.572 -16.833) 17.537 7.863 ( 1.675 4.369 -18.331) 18.919 8.092 ( 3.128 0.115 -31.805) 31.958 8.822 ( 4.924 -0.199 6.533) 8.183 9.420 ( -8.070 -0.138 -7.739) 11.182 10.694 ( -24.812 0.236 13.423) 28.211 11.334 ( -6.016 1.875 -0.938) 6.371 11.355 ( -7.641 2.250 7.981) 11.276 11.445 ( -4.150 -1.327 3.040) 5.313 12.488 ( 0.761 0.973 39.509) 39.528 12.707 ( 4.332 -11.021 -1.237) 11.906 12.999 ( 25.216 7.682 -4.608) 26.760 14.717 ( -0.467 0.106 8.352) 8.366 14.755 ( 3.190 -0.217 7.585) 8.231 15.568 ( -1.843 0.048 -27.438) 27.499 18.084 ( -33.423 2.513 4.569) 33.828 18.238 ( -15.759 -2.320 3.723) 16.358 19.614 ( -8.998 -1.524 -3.630) 9.822 19.748 ( 1.497 -2.235 -4.483) 5.228 21.013 ( 2.089 8.700 7.788) 11.862 21.847 ( 12.052 -7.463 -11.433) 18.211 22.169 ( -2.125 -1.416 4.809) 5.445 22.482 ( 4.146 6.771 1.638) 8.107 22.658 ( 15.396 -2.838 -0.483) 15.663 22.848 ( 3.845 -0.288 -2.778) 4.752 ======================= Grid point 259 (134/156) ======================= q-point: ( 0.25 0.55 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.028 ( 8.958 0.866 15.860) 18.236 3.361 ( 12.726 5.122 2.169) 13.888 4.472 ( 7.333 5.249 -0.756) 9.050 4.683 ( 16.336 -5.956 -7.407) 18.900 4.857 ( -10.858 -0.977 -7.150) 13.038 5.442 ( 20.181 -2.918 -9.267) 22.398 5.677 ( 15.464 10.166 -6.715) 19.687 6.139 ( 18.678 -9.960 13.522) 25.118 6.472 ( 7.686 7.165 6.104) 12.152 7.010 ( 5.236 6.446 4.032) 9.231 7.196 ( 7.219 -12.439 3.409) 14.780 7.612 ( 4.983 -14.355 -6.834) 16.662 7.689 ( 2.124 5.015 -7.000) 8.869 7.860 ( 14.922 2.434 -23.082) 27.593 8.805 ( -7.518 9.349 -3.243) 12.427 8.905 ( -14.120 -7.237 4.943) 16.619 10.251 ( -17.407 9.140 12.639) 23.373 10.755 ( -20.755 0.081 -0.042) 20.755 11.024 ( -2.978 0.638 -6.247) 6.949 11.141 ( -4.321 4.891 -0.300) 6.533 12.832 ( 0.496 -19.045 -1.732) 19.130 13.232 ( 0.667 3.006 32.424) 32.570 13.830 ( 15.425 10.107 0.158) 18.442 14.652 ( -4.204 -0.454 -17.265) 17.776 15.010 ( 2.934 -1.867 2.277) 4.157 15.157 ( 4.649 0.489 -5.956) 7.572 16.846 ( -26.260 -1.573 5.811) 26.941 17.646 ( -16.237 -2.594 1.808) 16.542 19.152 ( -7.396 4.126 -3.238) 9.067 19.804 ( 5.964 -5.826 -2.423) 8.682 20.988 ( -5.798 13.817 1.134) 15.028 21.760 ( -3.879 -18.290 -0.337) 18.700 22.257 ( 1.970 4.991 0.722) 5.414 22.604 ( 0.327 10.013 -1.378) 10.113 23.072 ( 3.003 -0.453 1.613) 3.439 23.333 ( 17.677 -5.745 -3.156) 18.853 ======================= Grid point 285 (135/156) ======================= q-point: ( 0.25 -0.25 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.554 ( 18.270 -2.713 -0.000) 18.471 3.731 ( 12.283 -8.542 -0.000) 14.961 4.370 ( 8.136 21.931 0.000) 23.391 4.841 ( -3.037 -7.145 -0.000) 7.764 4.896 ( -3.790 -19.645 -0.000) 20.007 5.635 ( -13.283 -21.615 -0.000) 25.371 5.885 ( -2.172 -4.368 -0.000) 4.878 6.309 ( -8.229 -18.824 -0.000) 20.544 6.909 ( -21.991 2.067 0.000) 22.088 6.914 ( -3.536 -13.419 -0.000) 13.877 7.377 ( 0.171 -0.867 -0.000) 0.884 7.478 ( 1.208 -11.916 -0.000) 11.977 7.614 ( 9.593 8.551 0.000) 12.851 8.180 ( 6.649 -20.149 -0.000) 21.218 8.499 ( 0.171 19.237 0.000) 19.238 8.869 ( 6.596 7.068 0.000) 9.667 10.055 ( 19.149 35.436 0.000) 40.279 10.606 ( 11.776 2.555 0.000) 12.050 10.853 ( -5.064 -2.863 -0.000) 5.817 11.411 ( 9.553 -6.530 -0.000) 11.571 12.413 ( -15.761 4.421 0.000) 16.369 13.638 ( -5.502 -2.027 -0.000) 5.864 14.251 ( 17.990 5.864 0.000) 18.922 14.320 ( -4.036 -11.083 -0.000) 11.795 15.067 ( 1.555 1.220 0.000) 1.976 15.257 ( 1.450 -6.735 -0.000) 6.889 16.257 ( -11.417 21.044 0.000) 23.941 17.226 ( -14.117 6.427 0.000) 15.511 19.271 ( 15.168 -0.023 0.000) 15.168 19.812 ( -6.633 -10.295 -0.000) 12.247 21.035 ( 7.062 10.972 0.000) 13.049 21.204 ( -22.015 4.734 0.000) 22.518 22.543 ( 11.757 -1.094 -0.000) 11.808 22.751 ( 5.829 1.820 0.000) 6.106 23.086 ( -1.915 0.657 0.000) 2.024 23.446 ( -11.938 -14.813 -0.000) 19.025 ======================= Grid point 290 (136/156) ======================= q-point: (-0.75 -0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.523 ( 4.447 -17.812 -0.000) 18.359 3.725 ( 7.850 -13.936 -0.000) 15.995 4.530 ( 2.201 -5.942 -0.000) 6.337 4.741 ( 4.907 -5.399 -0.000) 7.295 5.071 ( 11.737 17.147 0.000) 20.779 5.173 ( -1.313 -6.403 -0.000) 6.536 5.675 ( -9.256 -23.671 -0.000) 25.416 5.687 ( 1.409 -8.584 -0.000) 8.699 6.508 ( -25.613 7.882 0.000) 26.798 6.653 ( 4.122 -1.892 -0.000) 4.535 7.379 ( 1.691 1.807 0.000) 2.475 7.510 ( 10.253 -7.020 -0.000) 12.426 7.828 ( 11.566 -19.593 -0.000) 22.752 8.067 ( 12.139 -0.657 -0.000) 12.157 8.754 ( 0.276 3.344 0.000) 3.356 9.140 ( 5.387 7.809 0.000) 9.487 10.694 ( -8.911 -0.044 -0.000) 8.911 10.768 ( -2.899 4.711 0.000) 5.532 11.004 ( 10.529 13.583 0.000) 17.185 11.320 ( 0.414 -12.776 -0.000) 12.783 12.370 ( 4.195 11.868 0.000) 12.588 13.521 ( -7.325 4.206 0.000) 8.447 13.986 ( -4.684 -12.963 -0.000) 13.784 14.593 ( 12.022 -3.886 -0.000) 12.635 15.098 ( 2.833 -1.807 -0.000) 3.361 15.183 ( 4.299 -5.613 -0.000) 7.070 16.561 ( -13.321 32.590 0.000) 35.207 17.019 ( -20.510 8.901 0.000) 22.358 19.441 ( -8.794 -9.296 -0.000) 12.797 19.606 ( 14.244 2.419 0.000) 14.448 20.868 ( -15.526 1.780 0.000) 15.628 21.485 ( 4.985 17.790 0.000) 18.475 22.745 ( 7.154 -3.329 -0.000) 7.890 22.828 ( -12.498 -16.884 -0.000) 21.006 22.901 ( 2.075 3.144 0.000) 3.767 23.064 ( 3.972 0.194 0.000) 3.977 ======================= Grid point 296 (137/156) ======================= q-point: ( 0.25 0.75 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.388 ( 11.236 -7.487 -0.000) 13.502 3.491 ( -1.861 -13.956 -0.000) 14.080 4.647 ( 12.761 0.986 0.000) 12.799 4.655 ( -5.406 -5.132 -0.000) 7.454 5.104 ( 4.356 -20.921 -0.000) 21.370 5.265 ( 7.851 4.957 0.000) 9.284 5.480 ( 11.483 -0.326 0.000) 11.487 5.943 ( 16.878 17.347 0.000) 24.203 6.222 ( -22.476 14.471 0.000) 26.732 6.914 ( 11.821 1.785 0.000) 11.955 7.495 ( 5.128 3.044 0.000) 5.963 7.584 ( 7.252 -0.135 0.000) 7.253 7.616 ( 8.288 -18.134 -0.000) 19.938 8.251 ( 9.037 -6.367 -0.000) 11.055 8.681 ( -0.693 -8.118 -0.000) 8.147 9.305 ( 0.374 -3.201 -0.000) 3.223 10.437 ( -12.117 -4.268 -0.000) 12.846 10.656 ( -5.149 3.259 0.000) 6.094 10.911 ( -13.398 -13.232 -0.000) 18.831 11.179 ( -2.108 -0.193 -0.000) 2.117 13.002 ( 16.867 18.709 0.000) 25.189 13.509 ( -5.705 6.427 0.000) 8.594 13.584 ( -8.974 -11.843 -0.000) 14.859 14.608 ( 5.628 -9.840 -0.000) 11.336 15.138 ( 4.212 -1.004 -0.000) 4.330 15.194 ( 5.580 -4.757 -0.000) 7.333 16.771 ( -18.745 6.355 0.000) 19.793 16.961 ( -14.750 31.881 0.000) 35.128 19.104 ( -8.193 -5.724 -0.000) 9.995 19.905 ( 9.077 1.648 0.000) 9.225 20.705 ( -2.427 1.442 0.000) 2.823 21.889 ( -1.965 17.290 0.000) 17.401 22.300 ( -8.264 -9.718 -0.000) 12.757 22.582 ( -2.932 -11.535 -0.000) 11.902 23.017 ( 1.148 3.636 0.000) 3.812 23.358 ( 14.946 3.963 0.000) 15.462 ======================= Grid point 301 (138/156) ======================= q-point: ( 0.25 0.55 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( 8.877 -13.325 18.261) 24.286 3.159 ( 9.065 -18.250 11.022) 23.168 4.308 ( -1.184 -9.725 -6.301) 11.648 4.496 ( 10.387 -8.666 -13.148) 18.864 4.905 ( -0.789 -1.213 9.515) 9.625 5.199 ( 4.827 -10.834 -3.741) 12.437 5.552 ( -0.286 -0.150 -6.734) 6.742 5.660 ( -2.463 -12.838 -1.643) 13.175 6.375 ( 10.052 -15.038 15.048) 23.529 6.718 ( -6.331 -6.287 0.450) 8.934 7.079 ( -0.965 2.584 0.019) 2.759 7.453 ( 0.354 -0.684 -2.868) 2.970 7.669 ( 7.250 -13.235 -29.982) 33.566 7.804 ( 10.957 -6.099 -13.775) 18.628 8.963 ( -2.882 3.745 1.998) 5.130 9.076 ( 1.041 6.879 -1.487) 7.115 10.610 ( -2.903 5.534 16.521) 17.663 11.123 ( -4.951 5.690 -6.245) 9.792 11.218 ( 3.077 14.198 -0.776) 14.548 11.284 ( -3.636 7.853 1.488) 8.781 12.540 ( -2.988 4.030 -1.074) 5.131 13.247 ( 1.245 -1.513 31.224) 31.286 13.616 ( 4.779 -18.161 4.426) 19.294 14.770 ( 2.245 2.336 -16.709) 17.020 14.932 ( 1.390 -2.984 5.131) 6.096 15.082 ( 0.917 -3.816 -11.897) 12.528 17.391 ( -10.199 33.189 8.357) 35.712 17.729 ( -18.453 15.414 -1.034) 24.066 19.416 ( 2.238 6.767 1.643) 7.315 19.599 ( -0.752 -1.745 -7.869) 8.095 21.176 ( -17.143 -4.095 4.344) 18.153 21.685 ( 11.513 14.495 -4.548) 19.061 22.316 ( 6.255 -7.178 6.478) 11.516 22.797 ( 7.066 -1.164 -0.408) 7.173 22.830 ( -2.862 -15.993 -7.225) 17.781 22.951 ( 0.328 -6.101 0.611) 6.140 ======================= Grid point 302 (139/156) ======================= q-point: ( 0.25 -0.25 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.157 ( -9.205 -4.537 -0.000) 10.262 3.556 ( 12.637 -4.038 -0.000) 13.266 4.249 ( -21.776 -2.822 -0.000) 21.958 4.931 ( 11.981 -1.702 -0.000) 12.102 5.124 ( 24.301 -10.426 -0.000) 26.443 5.618 ( 3.064 14.551 0.000) 14.870 5.830 ( 20.174 3.762 0.000) 20.522 6.305 ( -1.531 21.444 0.000) 21.499 6.683 ( 18.482 6.355 0.000) 19.544 7.066 ( 6.833 2.420 0.000) 7.248 7.440 ( 4.574 -11.474 -0.000) 12.352 7.502 ( -13.253 7.732 0.000) 15.344 7.997 ( 19.294 4.391 0.000) 19.787 8.147 ( -2.375 -10.460 -0.000) 10.726 8.473 ( -2.812 -5.966 -0.000) 6.596 8.958 ( -5.850 -19.925 -0.000) 20.766 9.972 ( -17.937 -14.727 -0.000) 23.209 10.390 ( -13.211 -1.636 -0.000) 13.311 10.876 ( 5.550 13.642 0.000) 14.728 11.071 ( -0.177 -5.084 -0.000) 5.087 13.102 ( -8.966 -15.367 -0.000) 17.791 13.573 ( -9.709 13.735 0.000) 16.820 13.588 ( 8.975 9.763 0.000) 13.261 14.528 ( 7.067 -8.042 -0.000) 10.706 15.152 ( -0.686 -4.966 -0.000) 5.013 15.233 ( 5.915 0.172 0.000) 5.918 16.495 ( -15.082 -0.117 -0.000) 15.082 17.211 ( -9.974 17.461 0.000) 20.109 18.914 ( -4.116 0.881 0.000) 4.210 20.030 ( 6.546 -3.564 -0.000) 7.453 20.780 ( 1.529 3.725 0.000) 4.026 21.952 ( -9.270 -5.007 -0.000) 10.536 22.162 ( 0.386 3.672 0.000) 3.692 22.420 ( 1.888 3.035 0.000) 3.575 23.083 ( -0.934 2.305 0.000) 2.487 23.701 ( 12.468 0.543 0.000) 12.480 ======================= Grid point 306 (140/156) ======================= q-point: ( 0.25 0.55 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( 13.058 -7.956 11.975) 19.422 3.079 ( 13.442 -9.044 12.849) 20.678 4.256 ( 6.354 -1.001 -4.342) 7.760 4.524 ( 12.386 -8.807 -14.403) 20.939 5.028 ( 5.505 3.555 6.476) 9.213 5.143 ( 10.482 -8.566 3.198) 13.909 5.336 ( -5.640 2.590 -8.205) 10.288 5.908 ( 17.700 5.495 -5.621) 19.367 6.251 ( 10.214 -13.772 18.469) 25.201 6.761 ( 2.816 7.827 5.224) 9.822 7.158 ( 6.212 0.716 -4.019) 7.434 7.492 ( 6.777 -2.477 -13.315) 15.144 7.629 ( 8.460 -6.589 -20.612) 23.235 7.824 ( 9.528 -12.413 -12.923) 20.295 8.878 ( -9.972 3.104 -2.900) 10.839 9.179 ( -1.298 -0.691 3.513) 3.808 10.474 ( -15.041 2.734 14.183) 20.853 10.988 ( -8.915 1.880 -6.445) 11.160 11.169 ( -15.500 3.023 1.814) 15.896 11.325 ( -9.008 2.160 0.658) 9.286 12.958 ( 13.950 12.159 5.821) 19.399 13.176 ( 4.263 -14.767 6.965) 16.875 13.428 ( 4.269 -0.915 21.691) 22.126 14.753 ( -2.535 -1.904 -15.067) 15.397 14.974 ( 5.191 -2.224 3.751) 6.780 15.069 ( 2.988 -0.566 -11.997) 12.376 17.348 ( -29.518 9.908 7.134) 31.943 17.834 ( -15.186 18.572 1.603) 24.044 19.307 ( -9.174 -0.367 -7.618) 11.930 19.802 ( 5.085 0.778 -0.844) 5.213 20.813 ( -6.365 4.376 1.594) 7.887 22.070 ( -7.030 1.933 11.191) 13.357 22.286 ( 10.728 -1.499 -4.284) 11.649 22.441 ( -4.139 -9.291 -7.521) 12.650 22.974 ( 6.314 0.611 1.313) 6.478 23.032 ( 17.077 -3.238 -2.220) 17.522 ======================= Grid point 307 (141/156) ======================= q-point: ( 0.30 -0.30 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.228 ( -5.474 11.137 0.000) 12.410 3.550 ( 9.661 4.328 0.000) 10.586 4.251 ( -22.438 3.103 0.000) 22.651 4.891 ( 10.397 -2.053 -0.000) 10.598 4.974 ( 23.961 -4.745 -0.000) 24.427 5.823 ( 26.032 -4.527 -0.000) 26.423 5.850 ( 5.053 6.521 0.000) 8.250 6.541 ( 13.924 -12.818 -0.000) 18.926 6.728 ( 8.462 18.570 0.000) 20.407 7.185 ( 6.080 -0.788 -0.000) 6.131 7.303 ( 2.276 -1.692 -0.000) 2.836 7.525 ( -10.008 -1.622 -0.000) 10.139 7.815 ( 10.299 -20.935 -0.000) 23.332 8.056 ( 22.353 3.844 0.000) 22.681 8.609 ( -17.851 -11.468 -0.000) 21.217 8.632 ( -8.022 15.438 0.000) 17.398 9.807 ( -30.106 1.771 0.000) 30.158 10.433 ( -9.038 5.161 0.000) 10.408 10.961 ( 0.856 -5.366 -0.000) 5.434 11.168 ( 5.604 13.663 0.000) 14.768 12.762 ( -5.629 -17.319 -0.000) 18.210 13.698 ( 3.852 0.691 0.000) 3.913 13.890 ( -8.600 16.772 0.000) 18.848 14.399 ( 10.445 -4.501 -0.000) 11.373 15.074 ( -1.716 -2.310 -0.000) 2.877 15.239 ( 6.563 0.474 0.000) 6.580 16.436 ( -18.303 -5.813 -0.000) 19.204 17.390 ( -9.329 -0.341 -0.000) 9.335 19.017 ( -2.622 9.023 0.000) 9.396 19.935 ( 7.945 -5.413 -0.000) 9.614 20.886 ( -4.016 6.676 0.000) 7.791 21.650 ( -6.135 -20.274 -0.000) 21.182 22.311 ( 2.128 10.053 0.000) 10.276 22.588 ( 0.073 9.567 0.000) 9.568 23.107 ( -0.776 0.020 -0.000) 0.777 23.640 ( 13.748 -6.470 -0.000) 15.195 ======================= Grid point 310 (142/156) ======================= q-point: ( 0.30 0.30 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -0.000 -0.000 30.758) 30.758 1.929 ( -0.000 -0.000 30.758) 30.758 4.011 ( -0.000 -0.000 61.264) 61.264 4.483 ( 0.000 0.000 -19.554) 19.554 4.483 ( 0.000 0.000 -19.554) 19.554 4.909 ( -0.000 -0.000 2.961) 2.961 5.308 ( -0.000 -0.000 0.535) 0.535 5.697 ( 0.000 0.000 -5.309) 5.309 5.697 ( 0.000 0.000 -5.309) 5.309 6.820 ( 0.000 0.000 -8.866) 8.866 6.820 ( 0.000 0.000 -8.866) 8.866 7.841 ( 0.000 0.000 -18.871) 18.871 7.841 ( 0.000 0.000 -18.871) 18.871 8.058 ( 0.000 0.000 -32.547) 32.547 8.762 ( -0.000 -0.000 9.654) 9.654 9.503 ( 0.000 0.000 -10.267) 10.267 11.022 ( -0.000 -0.000 4.272) 4.272 11.434 ( -0.000 -0.000 9.738) 9.738 11.434 ( -0.000 -0.000 9.738) 9.738 11.451 ( 0.000 0.000 -4.291) 4.291 12.501 ( -0.000 -0.000 42.865) 42.865 12.658 ( 0.000 0.000 -0.982) 0.982 12.658 ( 0.000 0.000 -0.982) 0.982 14.721 ( -0.000 -0.000 7.937) 7.937 14.721 ( -0.000 -0.000 7.937) 7.937 15.588 ( 0.000 0.000 -28.332) 28.332 18.289 ( -0.000 -0.000 0.317) 0.317 18.635 ( 0.000 0.000 -6.237) 6.237 19.731 ( 0.000 0.000 -1.785) 1.785 19.731 ( 0.000 0.000 -1.785) 1.785 20.967 ( -0.000 -0.000 8.516) 8.516 21.588 ( 0.000 0.000 -6.232) 6.232 22.292 ( -0.000 -0.000 7.780) 7.780 22.443 ( -0.000 -0.000 1.319) 1.319 22.443 ( -0.000 -0.000 1.319) 1.319 22.808 ( 0.000 0.000 -4.108) 4.108 ======================= Grid point 311 (143/156) ======================= q-point: ( 0.30 0.50 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( 12.300 -1.081 20.053) 23.550 3.027 ( 19.068 2.941 10.336) 21.887 4.300 ( 7.926 4.815 -13.146) 16.088 4.390 ( 11.941 -3.708 -9.389) 15.636 4.971 ( 2.598 -5.218 4.888) 7.607 5.126 ( 10.283 3.037 1.828) 10.876 5.468 ( 2.138 7.916 -10.136) 13.038 5.799 ( 13.680 -10.976 13.339) 22.035 6.214 ( 16.637 6.009 8.758) 19.739 6.911 ( 6.762 -1.605 2.512) 7.390 6.999 ( 9.481 -3.608 3.855) 10.852 7.520 ( 6.699 1.439 -22.860) 23.865 7.588 ( 4.703 -3.105 -15.898) 16.867 7.636 ( 5.751 2.088 -17.917) 18.933 8.921 ( -4.108 2.244 0.612) 4.721 9.148 ( -8.480 -3.185 -0.740) 9.088 10.580 ( -15.538 5.370 16.223) 23.097 11.061 ( -8.144 5.656 -8.715) 13.201 11.208 ( -16.446 0.130 1.763) 16.541 11.335 ( -11.335 -1.117 2.135) 11.589 12.780 ( 4.089 -17.774 -1.011) 18.266 13.175 ( 7.524 6.313 20.304) 22.555 13.500 ( 13.562 5.619 17.388) 22.757 14.738 ( -3.942 0.490 -14.764) 15.289 14.935 ( 3.933 -1.290 3.226) 5.248 15.069 ( 3.888 0.370 -13.311) 13.872 17.471 ( -33.564 1.637 5.206) 34.005 17.995 ( -16.472 -3.937 2.713) 17.152 19.333 ( -9.883 3.098 -3.693) 10.996 19.712 ( 2.782 -7.417 -2.737) 8.381 21.103 ( -4.837 20.211 3.789) 21.124 21.800 ( 1.259 -20.828 -4.405) 21.326 22.230 ( 0.265 1.155 2.834) 3.072 22.581 ( 2.235 11.990 -0.619) 12.212 22.939 ( 17.708 -5.398 -3.477) 18.837 22.970 ( 8.252 -1.078 0.758) 8.357 ======================= Grid point 343 (144/156) ======================= q-point: (-0.70 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.387 ( 8.289 -12.611 -0.000) 15.091 3.516 ( 11.221 -11.453 -0.000) 16.034 4.479 ( 2.663 -12.728 -0.000) 13.003 4.646 ( 2.886 -12.035 -0.000) 12.377 4.875 ( 7.311 17.630 0.000) 19.086 5.230 ( -4.285 -16.271 -0.000) 16.826 5.667 ( 0.723 -15.116 -0.000) 15.133 5.945 ( -15.043 -16.047 -0.000) 21.995 6.701 ( -5.010 -6.814 -0.000) 8.458 6.960 ( -16.494 3.937 0.000) 16.958 7.184 ( 7.622 -15.151 -0.000) 16.960 7.454 ( 0.124 5.594 0.000) 5.595 7.590 ( 9.834 -17.339 -0.000) 19.933 7.820 ( 11.452 -8.864 -0.000) 14.482 8.814 ( -5.534 11.346 0.000) 12.624 8.982 ( 9.537 3.678 0.000) 10.222 10.690 ( 18.124 22.410 0.000) 28.822 10.794 ( 0.255 17.830 0.000) 17.832 10.855 ( -6.534 1.047 0.000) 6.618 11.257 ( 5.292 -5.297 -0.000) 7.488 12.472 ( -12.826 2.022 0.000) 12.984 13.624 ( -1.825 -1.639 -0.000) 2.453 14.081 ( -5.198 -10.489 -0.000) 11.707 14.322 ( 13.866 1.344 0.000) 13.931 15.055 ( 1.110 -2.018 -0.000) 2.303 15.126 ( 1.441 -5.998 -0.000) 6.168 16.790 ( -8.521 30.417 0.000) 31.588 17.431 ( -17.873 12.813 0.000) 21.992 19.324 ( 12.490 5.031 0.000) 13.465 19.618 ( -8.262 -8.283 -0.000) 11.699 21.265 ( -22.418 0.902 -0.000) 22.436 21.306 ( 12.566 15.017 0.000) 19.581 22.501 ( 13.346 -3.245 -0.000) 13.734 22.784 ( 7.457 1.222 0.000) 7.556 23.063 ( -1.656 -3.105 -0.000) 3.519 23.106 ( -11.924 -17.862 -0.000) 21.477 ======================= Grid point 349 (145/156) ======================= q-point: ( 0.30 0.70 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.205 ( 6.910 -12.226 -0.000) 14.044 3.450 ( 5.891 -12.652 -0.000) 13.956 4.423 ( 9.373 -4.708 -0.000) 10.489 4.518 ( 11.086 -14.784 -0.000) 18.479 5.094 ( 5.744 -1.898 -0.000) 6.049 5.257 ( 8.989 -2.225 -0.000) 9.260 5.325 ( -16.439 -9.225 -0.000) 18.850 5.622 ( 13.384 7.237 0.000) 15.216 6.683 ( -21.111 7.093 0.000) 22.271 6.694 ( 8.151 4.813 0.000) 9.466 7.147 ( 16.656 -13.843 -0.000) 21.657 7.408 ( 11.866 -17.741 -0.000) 21.344 7.607 ( 1.449 5.104 0.000) 5.306 7.964 ( 17.283 -11.523 -0.000) 20.772 8.789 ( -8.914 1.731 0.000) 9.081 9.223 ( 7.059 1.130 0.000) 7.149 10.667 ( -9.662 -3.720 -0.000) 10.353 10.846 ( -11.199 3.823 0.000) 11.833 11.148 ( -9.553 -1.949 -0.000) 9.750 11.228 ( -1.717 7.465 0.000) 7.660 12.665 ( 14.127 16.100 0.000) 21.419 13.532 ( 1.845 -10.342 -0.000) 10.505 13.796 ( -10.142 1.005 0.000) 10.191 14.480 ( 7.036 -6.696 -0.000) 9.713 15.058 ( 3.520 -1.942 -0.000) 4.020 15.080 ( 4.756 -4.276 -0.000) 6.395 17.220 ( -24.347 10.148 0.000) 26.377 17.262 ( -13.287 33.927 0.000) 36.437 19.289 ( -9.449 -5.332 -0.000) 10.849 19.697 ( 11.004 5.949 0.000) 12.509 20.852 ( -12.644 -2.946 -0.000) 12.983 21.866 ( 5.004 18.858 0.000) 19.511 22.503 ( -10.833 -13.610 -0.000) 17.395 22.591 ( 4.240 -12.146 -0.000) 12.865 22.959 ( 4.727 2.198 0.000) 5.213 23.057 ( 11.580 -0.943 -0.000) 11.619 ======================= Grid point 355 (146/156) ======================= q-point: ( 0.30 0.70 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.271 ( -1.579 -6.557 -0.000) 6.744 3.288 ( 12.756 -2.044 -0.000) 12.919 4.530 ( 7.757 -6.113 -0.000) 9.876 4.641 ( 15.275 -1.061 -0.000) 15.312 4.813 ( -7.230 -6.980 -0.000) 10.050 5.430 ( 17.581 -3.762 -0.000) 17.979 5.434 ( 11.643 10.176 0.000) 15.463 6.269 ( 21.461 10.028 0.000) 23.689 6.481 ( -12.123 9.771 0.000) 15.571 6.918 ( 6.927 1.004 0.000) 7.000 7.336 ( 5.834 -8.196 -0.000) 10.061 7.469 ( 24.059 2.553 0.000) 24.194 7.684 ( 1.153 -0.303 -0.000) 1.192 7.982 ( 15.229 -19.477 -0.000) 24.724 8.610 ( -10.005 3.150 0.000) 10.489 9.143 ( -8.327 -9.820 -0.000) 12.875 10.316 ( -16.066 -4.505 -0.000) 16.685 10.778 ( -21.361 -1.360 -0.000) 21.404 10.806 ( 0.114 9.293 0.000) 9.294 11.147 ( -7.138 -2.306 -0.000) 7.501 13.210 ( -1.555 -18.690 -0.000) 18.754 13.347 ( 14.827 14.277 0.000) 20.584 13.765 ( -8.975 12.631 0.000) 15.495 14.406 ( 4.688 -9.681 -0.000) 10.757 15.109 ( 4.230 -3.459 -0.000) 5.464 15.121 ( 5.083 -0.653 -0.000) 5.125 16.879 ( -22.513 3.592 0.000) 22.797 17.503 ( -17.193 18.737 0.000) 25.430 19.044 ( -8.116 0.175 -0.000) 8.118 19.902 ( 5.672 -3.038 -0.000) 6.434 20.764 ( -0.298 6.446 0.000) 6.453 22.123 ( -7.268 -5.068 -0.000) 8.860 22.195 ( -3.581 -0.419 -0.000) 3.605 22.373 ( 3.237 1.524 0.000) 3.578 23.074 ( 2.119 1.777 0.000) 2.765 23.390 ( 17.639 -1.117 -0.000) 17.674 ======================= Grid point 360 (147/156) ======================= q-point: ( 0.30 0.50 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( 10.252 -8.144 18.280) 22.485 2.799 ( 12.212 -15.280 18.644) 27.022 4.172 ( 1.909 -3.417 -11.982) 12.605 4.307 ( 8.742 -8.432 -17.333) 21.165 4.898 ( 3.601 0.537 15.344) 15.770 5.024 ( 2.505 -5.110 1.124) 5.801 5.466 ( -4.711 -3.264 6.554) 8.707 5.637 ( 8.670 3.620 -8.947) 12.973 6.014 ( 10.800 -17.415 17.244) 26.782 6.701 ( 1.247 3.101 -0.620) 3.400 7.000 ( 9.972 -10.556 2.203) 14.687 7.424 ( -0.175 -2.461 -26.593) 26.707 7.495 ( 3.805 -0.910 -21.462) 21.815 7.667 ( 5.947 -6.685 -13.883) 16.516 8.976 ( 0.378 -1.180 5.374) 5.515 9.217 ( -3.437 5.219 -5.837) 8.551 10.768 ( -12.201 10.201 10.904) 19.283 11.192 ( -8.948 1.945 -4.521) 10.212 11.423 ( -8.754 6.318 4.194) 11.582 11.468 ( -3.805 6.861 2.132) 8.130 12.670 ( 9.840 8.357 -0.368) 12.915 13.053 ( 7.721 -18.143 2.251) 19.845 13.380 ( 1.198 -3.068 37.519) 37.663 14.799 ( -1.611 0.638 -10.775) 10.913 14.887 ( 2.908 -1.412 4.817) 5.801 15.019 ( 1.794 -2.125 -20.293) 20.483 17.954 ( -26.606 15.539 4.188) 31.095 18.073 ( -7.444 19.937 1.324) 21.323 19.491 ( -8.994 1.569 -4.503) 10.180 19.683 ( 6.333 7.071 -1.674) 9.639 21.051 ( -15.737 -4.649 4.355) 16.977 21.897 ( 25.480 -1.291 -6.873) 26.422 22.204 ( -5.334 1.657 7.964) 9.727 22.521 ( -3.807 -10.678 -4.755) 12.293 22.761 ( 9.817 -4.550 2.060) 11.014 22.838 ( 5.523 -3.525 -1.991) 6.848 ======================= Grid point 361 (148/156) ======================= q-point: ( 0.35 0.65 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.244 ( 4.075 3.853 0.000) 5.608 3.326 ( 11.495 6.023 0.000) 12.978 4.452 ( 14.841 -0.910 -0.000) 14.869 4.623 ( 15.152 -0.257 0.000) 15.155 4.775 ( -15.738 2.122 0.000) 15.881 5.335 ( 19.689 -5.274 -0.000) 20.383 5.613 ( 15.561 5.756 0.000) 16.591 6.232 ( 16.419 -11.097 -0.000) 19.817 6.647 ( 1.288 7.574 0.000) 7.682 7.050 ( 6.583 7.576 0.000) 10.036 7.241 ( 6.070 -4.962 -0.000) 7.840 7.549 ( 18.446 -3.807 -0.000) 18.834 7.561 ( 10.479 -15.710 -0.000) 18.884 7.617 ( 8.295 5.681 0.000) 10.054 8.772 ( -6.700 10.310 0.000) 12.296 8.957 ( -13.757 -8.059 -0.000) 15.943 10.368 ( -24.063 10.406 0.000) 26.217 10.781 ( -22.186 0.773 -0.000) 22.199 10.935 ( 3.930 0.539 0.000) 3.967 11.141 ( -6.444 3.819 0.000) 7.491 12.816 ( 0.178 -19.031 -0.000) 19.032 13.570 ( 10.120 7.073 0.000) 12.346 14.037 ( -5.722 13.700 0.000) 14.847 14.219 ( 5.920 -8.220 -0.000) 10.130 15.058 ( 2.835 -1.360 -0.000) 3.144 15.113 ( 5.731 -0.031 0.000) 5.731 16.899 ( -26.765 -2.002 -0.000) 26.840 17.667 ( -16.715 -3.009 -0.000) 16.984 19.118 ( -7.016 7.058 0.000) 9.952 19.782 ( 6.464 -7.617 -0.000) 9.990 21.001 ( -6.730 15.298 0.000) 16.713 21.748 ( -2.980 -23.298 -0.000) 23.487 22.275 ( 1.259 7.873 0.000) 7.973 22.586 ( 0.318 11.601 0.000) 11.606 23.088 ( 2.946 -0.390 -0.000) 2.972 23.305 ( 18.598 -7.114 -0.000) 19.912 ======================= Grid point 366 (149/156) ======================= q-point: ( 0.35 0.45 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 9.708 -1.443 22.428) 24.482 2.641 ( 16.363 1.688 18.808) 24.987 4.166 ( 4.722 1.390 -17.097) 17.792 4.193 ( 7.069 -1.008 -15.286) 16.871 4.889 ( 2.369 -1.428 16.576) 16.805 4.992 ( 3.398 1.020 2.379) 4.272 5.486 ( -1.356 4.098 5.865) 7.283 5.609 ( 4.681 -7.532 -0.709) 8.896 5.847 ( 17.414 4.114 13.586) 22.467 6.769 ( 5.054 -7.076 -0.996) 8.752 6.814 ( 8.142 5.927 0.607) 10.089 7.393 ( 4.512 1.026 -39.726) 39.995 7.539 ( 0.628 -5.461 -11.639) 12.872 7.562 ( 2.269 4.625 -13.440) 14.394 8.956 ( 0.496 0.054 7.215) 7.233 9.267 ( -3.693 -0.361 -8.004) 8.822 10.916 ( -16.260 -0.129 10.253) 19.223 11.243 ( -8.682 3.537 -6.575) 11.451 11.486 ( -9.489 0.317 4.977) 10.719 11.530 ( -6.397 -0.988 3.986) 7.602 12.691 ( 3.864 -11.658 -0.475) 12.291 12.871 ( 17.834 9.271 -0.305) 20.102 13.365 ( 1.941 0.307 42.582) 42.628 14.808 ( -2.784 0.420 -6.184) 6.795 14.866 ( 2.423 -0.567 4.119) 4.812 14.999 ( 2.865 0.100 -25.190) 25.353 18.122 ( -24.356 2.599 0.979) 24.514 18.293 ( -13.556 -2.933 1.471) 13.947 19.550 ( -10.954 4.399 -2.640) 12.096 19.691 ( -0.466 -7.087 -1.730) 7.310 21.164 ( -0.465 13.064 7.659) 15.151 21.641 ( 13.583 -12.479 -9.520) 20.757 22.281 ( -5.811 -1.525 5.513) 8.154 22.507 ( 4.082 8.848 0.870) 9.783 22.649 ( 9.509 -4.313 -0.634) 10.461 22.800 ( 7.832 -0.655 -2.050) 8.122 ======================= Grid point 403 (150/156) ======================= q-point: (-0.65 -0.35 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( 3.920 -14.446 -0.000) 14.969 3.269 ( 10.592 -12.636 -0.000) 16.488 4.247 ( 7.580 -9.285 -0.000) 11.986 4.342 ( 5.340 -16.307 -0.000) 17.159 5.025 ( 0.596 -4.023 -0.000) 4.067 5.128 ( 3.968 1.408 0.000) 4.210 5.424 ( 5.871 -1.734 -0.000) 6.121 5.661 ( -14.771 -11.392 -0.000) 18.654 6.630 ( -1.102 -0.505 -0.000) 1.212 6.876 ( 7.097 -13.899 -0.000) 15.606 7.051 ( -13.318 0.727 0.000) 13.338 7.140 ( 13.686 -18.907 -0.000) 23.341 7.538 ( 4.445 1.495 0.000) 4.689 7.608 ( 15.391 -14.120 -0.000) 20.887 8.988 ( -9.283 5.886 0.000) 10.992 9.056 ( 8.033 4.045 0.000) 8.994 10.824 ( -5.600 -1.920 -0.000) 5.920 10.995 ( 0.680 10.978 0.000) 10.999 11.221 ( 1.041 17.897 0.000) 17.928 11.299 ( -5.112 7.792 0.000) 9.319 12.530 ( -3.092 4.353 0.000) 5.340 13.445 ( 6.541 -16.132 -0.000) 17.408 13.992 ( -8.940 1.888 0.000) 9.137 14.317 ( 8.670 -1.575 -0.000) 8.812 15.000 ( 1.973 -2.987 -0.000) 3.580 15.014 ( 1.700 -4.788 -0.000) 5.081 17.470 ( -6.389 34.186 0.000) 34.778 17.719 ( -22.224 14.425 0.000) 26.495 19.470 ( 10.485 8.973 0.000) 13.801 19.484 ( -9.624 -4.408 -0.000) 10.585 21.226 ( -22.974 -5.037 -0.000) 23.520 21.630 ( 19.146 15.549 0.000) 24.665 22.400 ( 10.299 -6.656 -0.000) 12.263 22.718 ( -8.739 -14.623 -0.000) 17.035 22.820 ( 8.026 -1.951 -0.000) 8.260 22.958 ( -0.065 -6.919 -0.000) 6.919 ======================= Grid point 409 (151/156) ======================= q-point: ( 0.35 0.65 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( 10.925 -3.233 -0.000) 11.393 3.211 ( 7.343 -10.076 -0.000) 12.468 4.241 ( 12.812 -9.968 -0.000) 16.233 4.338 ( 13.707 -3.383 -0.000) 14.119 5.059 ( -3.988 -1.068 -0.000) 4.128 5.145 ( 9.573 -5.445 -0.000) 11.013 5.280 ( -3.065 2.615 0.000) 4.029 5.841 ( 18.890 9.410 0.000) 21.104 6.701 ( -7.362 -5.298 -0.000) 9.070 6.771 ( 7.616 0.550 0.000) 7.636 6.988 ( 20.237 2.075 0.000) 20.343 7.202 ( 6.874 -3.228 -0.000) 7.594 7.610 ( 5.094 -4.415 -0.000) 6.741 7.623 ( 17.718 -18.499 -0.000) 25.615 8.849 ( -11.848 3.591 0.000) 12.381 9.215 ( 1.354 -1.787 -0.000) 2.242 10.629 ( -14.201 2.883 0.000) 14.491 10.905 ( -9.628 1.476 0.000) 9.741 11.186 ( -17.292 3.239 0.000) 17.593 11.332 ( -9.656 3.093 0.000) 10.139 12.992 ( 18.626 15.019 0.000) 23.927 13.178 ( 4.321 -20.232 -0.000) 20.688 13.937 ( -7.659 9.096 0.000) 11.891 14.330 ( 3.043 -7.700 -0.000) 8.280 15.010 ( 4.679 -2.470 -0.000) 5.291 15.023 ( 4.450 -1.419 -0.000) 4.671 17.412 ( -28.604 7.847 0.000) 29.661 17.854 ( -15.458 20.797 0.000) 25.913 19.232 ( -9.858 -0.031 -0.000) 9.858 19.794 ( 5.304 0.922 0.000) 5.383 20.829 ( -7.269 4.692 0.000) 8.651 22.242 ( 11.355 2.016 0.000) 11.532 22.245 ( -4.286 -5.838 -0.000) 7.243 22.303 ( -6.617 -5.559 -0.000) 8.642 22.987 ( 6.551 0.448 0.000) 6.566 23.014 ( 16.762 -3.486 -0.000) 17.120 ======================= Grid point 415 (152/156) ======================= q-point: ( 0.40 0.60 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.072 ( 11.733 -2.743 -0.000) 12.050 3.079 ( 12.609 6.433 0.000) 14.156 4.148 ( 11.956 0.857 0.000) 11.987 4.296 ( 15.780 -0.363 0.000) 15.784 5.057 ( 7.444 -3.194 -0.000) 8.100 5.069 ( -6.485 1.923 0.000) 6.764 5.347 ( 5.122 2.986 0.000) 5.928 5.886 ( 16.286 -5.709 -0.000) 17.258 6.618 ( 2.244 -0.220 -0.000) 2.254 6.864 ( 12.873 10.727 0.000) 16.757 7.006 ( 14.199 -15.537 -0.000) 21.048 7.131 ( 17.426 6.877 0.000) 18.734 7.453 ( 1.939 2.260 0.000) 2.978 7.485 ( 5.650 -4.867 -0.000) 7.457 8.926 ( -7.831 4.516 0.000) 9.040 9.142 ( -4.149 -5.511 -0.000) 6.898 10.807 ( -18.688 12.621 0.000) 22.550 10.901 ( -3.035 -1.943 -0.000) 3.604 11.226 ( -19.307 0.267 -0.000) 19.309 11.358 ( -12.136 -0.710 -0.000) 12.156 12.770 ( 3.771 -17.905 -0.000) 18.298 13.263 ( 18.846 11.135 0.000) 21.889 14.130 ( -3.441 9.410 0.000) 10.020 14.167 ( -0.038 -8.189 -0.000) 8.189 14.982 ( 4.007 -0.248 -0.000) 4.015 15.003 ( 4.955 -0.398 -0.000) 4.971 17.516 ( -32.177 1.762 0.000) 32.226 18.025 ( -16.714 -4.749 -0.000) 17.375 19.294 ( -9.937 6.095 0.000) 11.657 19.687 ( 2.538 -9.485 -0.000) 9.819 21.144 ( -6.749 23.880 0.000) 24.815 21.745 ( 4.366 -26.146 -0.000) 26.508 22.271 ( -1.217 2.251 0.000) 2.559 22.569 ( 1.509 13.906 0.000) 13.987 22.907 ( 18.561 -6.992 -0.000) 19.834 22.979 ( 7.727 -1.079 -0.000) 7.802 ======================= Grid point 420 (153/156) ======================= q-point: ( 0.40 0.40 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( -0.000 -0.000 23.135) 23.135 2.454 ( -0.000 -0.000 23.135) 23.135 4.117 ( 0.000 0.000 -17.569) 17.569 4.117 ( 0.000 0.000 -17.569) 17.569 4.876 ( -0.000 -0.000 20.250) 20.250 4.961 ( -0.000 -0.000 2.359) 2.359 5.567 ( 0.000 0.000 -6.983) 6.983 5.567 ( 0.000 0.000 -6.983) 6.983 5.571 ( -0.000 -0.000 36.379) 36.379 6.720 ( 0.000 0.000 -2.098) 2.098 6.720 ( 0.000 0.000 -2.098) 2.098 7.345 ( 0.000 0.000 -42.344) 42.344 7.538 ( 0.000 0.000 -12.020) 12.020 7.538 ( 0.000 0.000 -12.020) 12.020 8.941 ( -0.000 -0.000 9.304) 9.304 9.306 ( 0.000 0.000 -10.214) 10.214 11.119 ( -0.000 -0.000 5.894) 5.894 11.355 ( 0.000 0.000 -5.718) 5.718 11.584 ( -0.000 -0.000 5.687) 5.687 11.584 ( -0.000 -0.000 5.687) 5.687 12.647 ( 0.000 0.000 -0.315) 0.315 12.647 ( 0.000 0.000 -0.315) 0.315 13.349 ( -0.000 -0.000 45.574) 45.574 14.841 ( -0.000 -0.000 4.429) 4.429 14.841 ( -0.000 -0.000 4.429) 4.429 14.964 ( 0.000 0.000 -36.998) 36.998 18.322 ( -0.000 -0.000 3.072) 3.072 18.514 ( 0.000 0.000 -6.339) 6.339 19.703 ( 0.000 0.000 -1.087) 1.087 19.703 ( 0.000 0.000 -1.087) 1.087 21.134 ( -0.000 -0.000 8.908) 8.908 21.456 ( 0.000 0.000 -7.635) 7.635 22.444 ( -0.000 -0.000 8.033) 8.033 22.464 ( -0.000 -0.000 0.789) 0.789 22.464 ( -0.000 -0.000 0.789) 0.789 22.714 ( 0.000 0.000 -5.788) 5.788 ======================= Grid point 465 (154/156) ======================= q-point: ( 0.40 0.60 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( 6.343 -7.238 -0.000) 9.624 3.004 ( 11.166 -12.234 -0.000) 16.564 4.058 ( 5.039 -9.732 -0.000) 10.960 4.094 ( 9.578 -5.606 -0.000) 11.098 5.007 ( 2.812 0.891 0.000) 2.950 5.033 ( 1.977 -4.317 -0.000) 4.748 5.484 ( -9.917 -5.720 -0.000) 11.449 5.539 ( 9.911 6.486 0.000) 11.844 6.608 ( 7.710 -4.895 -0.000) 9.132 6.712 ( 5.041 2.067 0.000) 5.448 6.719 ( 5.370 -15.180 -0.000) 16.102 7.039 ( 10.215 -11.121 -0.000) 15.101 7.380 ( 3.052 -2.522 -0.000) 3.959 7.512 ( 4.340 -3.479 -0.000) 5.562 9.054 ( -7.588 0.845 0.000) 7.635 9.134 ( 4.881 2.867 0.000) 5.661 10.891 ( -11.048 9.025 0.000) 14.266 11.127 ( -8.623 1.581 0.000) 8.767 11.464 ( -9.516 6.566 0.000) 11.561 11.490 ( -4.764 8.418 0.000) 9.672 12.665 ( 10.061 8.630 0.000) 13.255 13.048 ( 7.999 -20.563 -0.000) 22.064 14.077 ( -5.978 5.194 0.000) 7.919 14.266 ( 3.472 -3.296 -0.000) 4.788 14.936 ( 2.297 -2.629 -0.000) 3.491 14.945 ( 2.906 -2.164 -0.000) 3.624 17.987 ( -24.814 10.772 0.000) 27.051 18.091 ( -6.928 22.978 0.000) 24.000 19.447 ( -11.323 1.010 0.000) 11.368 19.667 ( 7.059 8.300 0.000) 10.896 21.096 ( -18.453 -4.246 -0.000) 18.936 21.828 ( 27.893 -2.258 -0.000) 27.985 22.304 ( -1.701 2.678 0.000) 3.173 22.454 ( -7.730 -9.104 -0.000) 11.943 22.798 ( 4.171 -8.174 -0.000) 9.176 22.803 ( 11.184 -1.015 -0.000) 11.230 ======================= Grid point 471 (155/156) ======================= q-point: ( 0.45 0.55 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( 10.550 -3.935 -0.000) 11.260 2.827 ( 10.627 4.450 0.000) 11.522 3.973 ( 5.414 1.402 0.000) 5.592 4.022 ( 9.841 -1.159 -0.000) 9.909 4.989 ( 0.540 -0.633 -0.000) 0.832 5.022 ( 3.729 0.185 0.000) 3.734 5.432 ( -5.869 0.923 0.000) 5.941 5.603 ( 10.403 -1.104 -0.000) 10.462 6.536 ( 5.382 -2.215 -0.000) 5.821 6.587 ( 11.256 4.245 0.000) 12.030 6.772 ( 7.013 -10.069 -0.000) 12.271 6.834 ( 11.335 8.414 0.000) 14.117 7.423 ( 0.915 -4.470 -0.000) 4.562 7.427 ( 0.852 4.002 0.000) 4.092 9.065 ( -5.070 1.432 0.000) 5.268 9.150 ( 2.051 -1.742 -0.000) 2.690 11.073 ( -11.865 -6.290 -0.000) 13.430 11.120 ( -11.120 9.436 0.000) 14.584 11.534 ( -10.236 0.201 -0.000) 10.238 11.570 ( -7.304 -0.676 -0.000) 7.335 12.686 ( 3.701 -11.879 -0.000) 12.442 12.861 ( 18.103 9.811 0.000) 20.590 14.182 ( -1.646 4.714 0.000) 4.993 14.185 ( -1.140 -4.559 -0.000) 4.699 14.911 ( 2.567 0.267 0.000) 2.580 14.917 ( 3.124 -0.380 -0.000) 3.147 18.132 ( -24.584 2.810 0.000) 24.744 18.304 ( -9.549 -3.364 -0.000) 10.124 19.524 ( -12.086 6.056 0.000) 13.518 19.675 ( -0.951 -8.374 -0.000) 8.428 21.259 ( -4.035 21.891 0.000) 22.260 21.529 ( 15.709 -21.369 -0.000) 26.521 22.341 ( -5.883 -2.716 -0.000) 6.479 22.514 ( 3.645 11.601 0.000) 12.161 22.639 ( 6.177 -5.697 -0.000) 8.403 22.779 ( 11.164 -0.916 -0.000) 11.202 ======================= Grid point 527 (156/156) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( -0.000 -0.000 0.000) 0.000 2.706 ( -0.000 -0.000 0.000) 0.000 3.918 ( -0.000 -0.000 0.000) 0.000 3.918 ( -0.000 -0.000 0.000) 0.000 4.990 ( 0.000 0.000 -0.163) 0.163 4.990 ( -0.000 -0.000 0.163) 0.163 5.491 ( -0.000 -0.000 0.000) 0.000 5.491 ( -0.000 -0.000 0.000) 0.000 6.466 ( 0.000 0.000 -49.470) 49.470 6.466 ( -0.000 -0.000 49.470) 49.470 6.708 ( -0.000 -0.000 0.000) 0.000 6.708 ( -0.000 -0.000 0.000) 0.000 7.418 ( -0.000 -0.000 0.000) 0.000 7.418 ( -0.000 -0.000 0.000) 0.000 9.119 ( 0.000 0.000 -9.513) 9.513 9.119 ( -0.000 -0.000 9.513) 9.513 11.238 ( 0.000 0.000 -6.426) 6.426 11.238 ( -0.000 -0.000 6.426) 6.426 11.640 ( -0.000 -0.000 0.000) 0.000 11.640 ( -0.000 -0.000 0.000) 0.000 12.644 ( -0.000 -0.000 0.000) 0.000 12.644 ( -0.000 -0.000 0.000) 0.000 14.199 ( 0.000 0.000 -43.149) 43.149 14.199 ( -0.000 -0.000 43.149) 43.149 14.884 ( -0.000 -0.000 0.000) 0.000 14.884 ( -0.000 -0.000 0.000) 0.000 18.402 ( 0.000 0.000 -5.230) 5.230 18.402 ( -0.000 -0.000 5.230) 5.230 19.692 ( -0.000 -0.000 0.000) 0.000 19.692 ( -0.000 -0.000 0.000) 0.000 21.301 ( 0.000 0.000 -8.559) 8.559 21.301 ( -0.000 -0.000 8.559) 8.559 22.471 ( -0.000 -0.000 0.000) 0.000 22.471 ( -0.000 -0.000 0.000) 0.000 22.590 ( 0.000 0.000 -7.235) 7.235 22.590 ( -0.000 -0.000 7.235) 7.235 =================== 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 1447.592 1447.592 2706.929 -0.000 -0.000 0.000 3/36000 20.0 1234.598 1234.598 1051.460 -0.000 -0.000 0.000 3/36000 30.0 532.863 532.863 464.397 -0.000 -0.000 0.000 3/36000 40.0 258.800 258.800 209.280 -0.000 -0.000 0.000 3/36000 50.0 151.954 151.954 114.634 -0.000 -0.000 0.000 3/36000 60.0 103.129 103.129 73.792 -0.000 -0.000 0.000 3/36000 70.0 77.125 77.125 53.053 -0.000 -0.000 0.000 3/36000 80.0 61.459 61.459 41.089 -0.000 -0.000 0.000 3/36000 90.0 51.088 51.088 33.478 -0.000 -0.000 0.000 3/36000 100.0 43.724 43.724 28.263 -0.000 -0.000 0.000 3/36000 110.0 38.220 38.220 24.480 -0.000 -0.000 0.000 3/36000 120.0 33.946 33.946 21.612 -0.000 -0.000 0.000 3/36000 130.0 30.529 30.529 19.364 -0.000 -0.000 0.000 3/36000 140.0 27.735 27.735 17.553 -0.000 -0.000 0.000 3/36000 150.0 25.410 25.410 16.062 -0.000 -0.000 0.000 3/36000 160.0 23.445 23.445 14.813 -0.000 -0.000 0.000 3/36000 170.0 21.765 21.765 13.751 -0.000 -0.000 0.000 3/36000 180.0 20.311 20.311 12.837 -0.000 -0.000 0.000 3/36000 190.0 19.042 19.042 12.041 -0.000 -0.000 0.000 3/36000 200.0 17.925 17.925 11.342 -0.000 -0.000 0.000 3/36000 210.0 16.934 16.934 10.722 -0.000 -0.000 0.000 3/36000 220.0 16.050 16.050 10.170 -0.000 -0.000 0.000 3/36000 230.0 15.256 15.256 9.673 -0.000 -0.000 0.000 3/36000 240.0 14.538 14.538 9.225 -0.000 -0.000 0.000 3/36000 250.0 13.888 13.888 8.818 -0.000 -0.000 0.000 3/36000 260.0 13.294 13.294 8.447 -0.000 -0.000 0.000 3/36000 270.0 12.751 12.751 8.107 -0.000 -0.000 0.000 3/36000 280.0 12.252 12.252 7.794 -0.000 -0.000 0.000 3/36000 290.0 11.792 11.792 7.505 -0.000 -0.000 0.000 3/36000 300.0 11.367 11.367 7.238 -0.000 -0.000 0.000 3/36000 310.0 10.971 10.971 6.990 -0.000 -0.000 0.000 3/36000 320.0 10.604 10.604 6.759 -0.000 -0.000 0.000 3/36000 330.0 10.261 10.261 6.543 -0.000 -0.000 0.000 3/36000 340.0 9.940 9.940 6.340 -0.000 -0.000 0.000 3/36000 350.0 9.639 9.639 6.151 -0.000 -0.000 0.000 3/36000 360.0 9.356 9.356 5.972 -0.000 -0.000 0.000 3/36000 370.0 9.090 9.090 5.804 -0.000 -0.000 0.000 3/36000 380.0 8.839 8.839 5.646 -0.000 -0.000 0.000 3/36000 390.0 8.602 8.602 5.496 -0.000 -0.000 0.000 3/36000 400.0 8.378 8.378 5.354 -0.000 -0.000 0.000 3/36000 410.0 8.165 8.165 5.219 -0.000 -0.000 0.000 3/36000 420.0 7.964 7.964 5.091 -0.000 -0.000 0.000 3/36000 430.0 7.772 7.772 4.969 -0.000 -0.000 0.000 3/36000 440.0 7.589 7.589 4.853 -0.000 -0.000 0.000 3/36000 450.0 7.415 7.415 4.743 -0.000 -0.000 0.000 3/36000 460.0 7.249 7.249 4.637 -0.000 -0.000 0.000 3/36000 470.0 7.090 7.090 4.537 -0.000 -0.000 0.000 3/36000 480.0 6.938 6.938 4.440 -0.000 -0.000 0.000 3/36000 490.0 6.793 6.793 4.348 -0.000 -0.000 0.000 3/36000 500.0 6.654 6.654 4.259 -0.000 -0.000 0.000 3/36000 510.0 6.521 6.521 4.174 -0.000 -0.000 0.000 3/36000 520.0 6.392 6.392 4.093 -0.000 -0.000 0.000 3/36000 530.0 6.269 6.269 4.014 -0.000 -0.000 0.000 3/36000 540.0 6.151 6.151 3.939 -0.000 -0.000 0.000 3/36000 550.0 6.037 6.037 3.866 -0.000 -0.000 0.000 3/36000 560.0 5.927 5.927 3.796 -0.000 -0.000 0.000 3/36000 570.0 5.821 5.821 3.729 -0.000 -0.000 0.000 3/36000 580.0 5.719 5.719 3.664 -0.000 -0.000 0.000 3/36000 590.0 5.621 5.621 3.601 -0.000 -0.000 0.000 3/36000 600.0 5.526 5.526 3.540 -0.000 -0.000 0.000 3/36000 610.0 5.434 5.434 3.482 -0.000 -0.000 0.000 3/36000 620.0 5.345 5.345 3.425 -0.000 -0.000 0.000 3/36000 630.0 5.259 5.259 3.370 -0.000 -0.000 0.000 3/36000 640.0 5.176 5.176 3.317 -0.000 -0.000 0.000 3/36000 650.0 5.096 5.096 3.266 -0.000 -0.000 0.000 3/36000 660.0 5.018 5.018 3.216 -0.000 -0.000 0.000 3/36000 670.0 4.942 4.942 3.167 -0.000 -0.000 0.000 3/36000 680.0 4.869 4.869 3.121 -0.000 -0.000 0.000 3/36000 690.0 4.797 4.797 3.075 -0.000 -0.000 0.000 3/36000 700.0 4.728 4.728 3.031 -0.000 -0.000 0.000 3/36000 710.0 4.661 4.661 2.988 -0.000 -0.000 0.000 3/36000 720.0 4.596 4.596 2.946 -0.000 -0.000 0.000 3/36000 730.0 4.532 4.532 2.906 -0.000 -0.000 0.000 3/36000 740.0 4.471 4.471 2.866 -0.000 -0.000 0.000 3/36000 750.0 4.410 4.410 2.828 -0.000 -0.000 0.000 3/36000 760.0 4.352 4.352 2.790 -0.000 -0.000 0.000 3/36000 770.0 4.295 4.295 2.754 -0.000 -0.000 0.000 3/36000 780.0 4.240 4.240 2.718 -0.000 -0.000 0.000 3/36000 790.0 4.186 4.186 2.684 -0.000 -0.000 0.000 3/36000 800.0 4.133 4.133 2.650 -0.000 -0.000 0.000 3/36000 810.0 4.082 4.082 2.617 -0.000 -0.000 0.000 3/36000 820.0 4.032 4.032 2.585 -0.000 -0.000 0.000 3/36000 830.0 3.983 3.983 2.554 -0.000 -0.000 0.000 3/36000 840.0 3.935 3.935 2.523 -0.000 -0.000 0.000 3/36000 850.0 3.889 3.889 2.494 -0.000 -0.000 0.000 3/36000 860.0 3.843 3.843 2.465 -0.000 -0.000 0.000 3/36000 870.0 3.799 3.799 2.436 -0.000 -0.000 0.000 3/36000 880.0 3.756 3.756 2.408 -0.000 -0.000 0.000 3/36000 890.0 3.713 3.713 2.381 -0.000 -0.000 0.000 3/36000 900.0 3.672 3.672 2.355 -0.000 -0.000 0.000 3/36000 910.0 3.631 3.631 2.329 -0.000 -0.000 0.000 3/36000 920.0 3.592 3.592 2.303 -0.000 -0.000 0.000 3/36000 930.0 3.553 3.553 2.279 -0.000 -0.000 0.000 3/36000 940.0 3.515 3.515 2.254 -0.000 -0.000 0.000 3/36000 950.0 3.478 3.478 2.231 -0.000 -0.000 0.000 3/36000 960.0 3.442 3.442 2.207 -0.000 -0.000 0.000 3/36000 970.0 3.406 3.406 2.185 -0.000 -0.000 0.000 3/36000 980.0 3.371 3.371 2.162 -0.000 -0.000 0.000 3/36000 990.0 3.337 3.337 2.140 -0.000 -0.000 0.000 3/36000 1000.0 3.304 3.304 2.119 -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 2026-01-07 22:42:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|