----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:49:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.016659189999999 -5.299826665000000 0.000000000000000 b 2.016659189999999 5.299826665000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.586011590000000 Atomic positions (fractional): *1 Zr 0.80850418562255 0.19149581437745 0.25000000000000 91.224 *2 Zr 0.85647898510590 0.14352101489410 0.94252840305640 91.224 3 Zr 0.85647898510590 0.14352101489410 0.55747159694360 91.224 4 Zr 0.19149581437745 0.80850418562255 0.75000000000000 91.224 5 Zr 0.14352101489410 0.85647898510590 0.05747159694360 91.224 6 Zr 0.14352101489410 0.85647898510590 0.44252840305640 91.224 *7 N 0.70119941820230 0.29880058179770 0.42142580678982 14.007 8 N 0.70119941820230 0.29880058179770 0.07857419321018 14.007 9 N 0.29880058179770 0.70119941820230 0.57857419321018 14.007 10 N 0.29880058179770 0.70119941820230 0.92142580678982 14.007 *11 O 0.75396489294245 0.24603510705755 0.75000000000000 15.999 *12 O 0.95637138033795 0.04362861966205 0.11601050277890 15.999 13 O 0.95637138033795 0.04362861966205 0.38398949722110 15.999 14 O 0.24603510705755 0.75396489294245 0.25000000000000 15.999 15 O 0.04362861966205 0.95637138033795 0.88398949722110 15.999 16 O 0.04362861966205 0.95637138033795 0.61601050277890 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.033318379999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.599653330000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.586011590000000 Atomic positions (fractional): *1 Zr 0.00000000000000 0.19149581437745 0.25000000000000 91.224 > 1 *2 Zr 0.00000000000000 0.14352101489410 0.94252840305640 91.224 > 2 3 Zr 0.00000000000000 0.14352101489410 0.55747159694360 91.224 > 3 4 Zr 0.50000000000000 0.30850418562255 0.75000000000000 91.224 > 4 5 Zr 0.50000000000000 0.35647898510590 0.05747159694360 91.224 > 5 6 Zr 0.50000000000000 0.35647898510590 0.44252840305640 91.224 > 6 7 Zr 0.50000000000000 0.69149581437745 0.25000000000000 91.224 > 1 8 Zr 0.50000000000000 0.64352101489410 0.94252840305640 91.224 > 2 9 Zr 0.50000000000000 0.64352101489410 0.55747159694360 91.224 > 3 10 Zr 0.00000000000000 0.80850418562255 0.75000000000000 91.224 > 4 11 Zr 0.00000000000000 0.85647898510590 0.05747159694360 91.224 > 5 12 Zr 0.00000000000000 0.85647898510590 0.44252840305640 91.224 > 6 *13 N 0.00000000000000 0.29880058179770 0.42142580678982 14.007 > 7 14 N 0.00000000000000 0.29880058179770 0.07857419321018 14.007 > 8 15 N 0.50000000000000 0.20119941820230 0.57857419321018 14.007 > 9 16 N 0.50000000000000 0.20119941820230 0.92142580678982 14.007 > 10 17 N 0.50000000000000 0.79880058179770 0.42142580678982 14.007 > 7 18 N 0.50000000000000 0.79880058179770 0.07857419321018 14.007 > 8 19 N 0.00000000000000 0.70119941820230 0.57857419321018 14.007 > 9 20 N 0.00000000000000 0.70119941820230 0.92142580678982 14.007 > 10 *21 O 0.00000000000000 0.24603510705755 0.75000000000000 15.999 > 11 *22 O 0.00000000000000 0.04362861966205 0.11601050277890 15.999 > 12 23 O 0.00000000000000 0.04362861966205 0.38398949722110 15.999 > 13 24 O 0.50000000000000 0.25396489294245 0.25000000000000 15.999 > 14 25 O 0.50000000000000 0.45637138033795 0.88398949722110 15.999 > 15 26 O 0.50000000000000 0.45637138033795 0.61601050277890 15.999 > 16 27 O 0.50000000000000 0.74603510705755 0.75000000000000 15.999 > 11 28 O 0.50000000000000 0.54362861966205 0.11601050277890 15.999 > 12 29 O 0.50000000000000 0.54362861966205 0.38398949722110 15.999 > 13 30 O 0.00000000000000 0.75396489294245 0.25000000000000 15.999 > 14 31 O 0.00000000000000 0.95637138033795 0.88398949722110 15.999 > 15 32 O 0.00000000000000 0.95637138033795 0.61601050277890 15.999 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.099955139999997 0.000000000000000 0.000000000000000 b 0.000000000000000 10.599653330000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.586011590000000 Atomic positions (fractional): *1 Zr 0.00000000000000 0.19149581437745 0.25000000000000 91.224 > 1 2 Zr 0.33333333333333 0.19149581437745 0.25000000000000 91.224 > 1 3 Zr 0.66666666666667 0.19149581437745 0.25000000000000 91.224 > 1 *4 Zr 0.00000000000000 0.14352101489410 0.94252840305640 91.224 > 2 5 Zr 0.33333333333333 0.14352101489410 0.94252840305640 91.224 > 2 6 Zr 0.66666666666667 0.14352101489410 0.94252840305640 91.224 > 2 7 Zr 0.00000000000000 0.14352101489410 0.55747159694360 91.224 > 3 8 Zr 0.33333333333333 0.14352101489410 0.55747159694360 91.224 > 3 9 Zr 0.66666666666667 0.14352101489410 0.55747159694360 91.224 > 3 10 Zr 0.16666666666667 0.30850418562255 0.75000000000000 91.224 > 4 11 Zr 0.50000000000000 0.30850418562255 0.75000000000000 91.224 > 4 12 Zr 0.83333333333333 0.30850418562255 0.75000000000000 91.224 > 4 13 Zr 0.16666666666667 0.35647898510590 0.05747159694360 91.224 > 5 14 Zr 0.50000000000000 0.35647898510590 0.05747159694360 91.224 > 5 15 Zr 0.83333333333333 0.35647898510590 0.05747159694360 91.224 > 5 16 Zr 0.16666666666667 0.35647898510590 0.44252840305640 91.224 > 6 17 Zr 0.50000000000000 0.35647898510590 0.44252840305640 91.224 > 6 18 Zr 0.83333333333333 0.35647898510590 0.44252840305640 91.224 > 6 19 Zr 0.16666666666667 0.69149581437745 0.25000000000000 91.224 > 1 20 Zr 0.50000000000000 0.69149581437745 0.25000000000000 91.224 > 1 21 Zr 0.83333333333333 0.69149581437745 0.25000000000000 91.224 > 1 22 Zr 0.16666666666667 0.64352101489410 0.94252840305640 91.224 > 2 23 Zr 0.50000000000000 0.64352101489410 0.94252840305640 91.224 > 2 24 Zr 0.83333333333333 0.64352101489410 0.94252840305640 91.224 > 2 25 Zr 0.16666666666667 0.64352101489410 0.55747159694360 91.224 > 3 26 Zr 0.50000000000000 0.64352101489410 0.55747159694360 91.224 > 3 27 Zr 0.83333333333333 0.64352101489410 0.55747159694360 91.224 > 3 28 Zr 0.00000000000000 0.80850418562255 0.75000000000000 91.224 > 4 29 Zr 0.33333333333333 0.80850418562255 0.75000000000000 91.224 > 4 30 Zr 0.66666666666667 0.80850418562255 0.75000000000000 91.224 > 4 31 Zr 0.00000000000000 0.85647898510590 0.05747159694360 91.224 > 5 32 Zr 0.33333333333333 0.85647898510590 0.05747159694360 91.224 > 5 33 Zr 0.66666666666667 0.85647898510590 0.05747159694360 91.224 > 5 34 Zr 0.00000000000000 0.85647898510590 0.44252840305640 91.224 > 6 35 Zr 0.33333333333333 0.85647898510590 0.44252840305640 91.224 > 6 36 Zr 0.66666666666667 0.85647898510590 0.44252840305640 91.224 > 6 *37 N 0.00000000000000 0.29880058179770 0.42142580678982 14.007 > 7 38 N 0.33333333333333 0.29880058179770 0.42142580678982 14.007 > 7 39 N 0.66666666666667 0.29880058179770 0.42142580678982 14.007 > 7 40 N 0.00000000000000 0.29880058179770 0.07857419321018 14.007 > 8 41 N 0.33333333333333 0.29880058179770 0.07857419321018 14.007 > 8 42 N 0.66666666666667 0.29880058179770 0.07857419321018 14.007 > 8 43 N 0.16666666666667 0.20119941820230 0.57857419321018 14.007 > 9 44 N 0.50000000000000 0.20119941820230 0.57857419321018 14.007 > 9 45 N 0.83333333333333 0.20119941820230 0.57857419321018 14.007 > 9 46 N 0.16666666666667 0.20119941820230 0.92142580678982 14.007 > 10 47 N 0.50000000000000 0.20119941820230 0.92142580678982 14.007 > 10 48 N 0.83333333333333 0.20119941820230 0.92142580678982 14.007 > 10 49 N 0.16666666666667 0.79880058179770 0.42142580678982 14.007 > 7 50 N 0.50000000000000 0.79880058179770 0.42142580678982 14.007 > 7 51 N 0.83333333333333 0.79880058179770 0.42142580678982 14.007 > 7 52 N 0.16666666666667 0.79880058179770 0.07857419321018 14.007 > 8 53 N 0.50000000000000 0.79880058179770 0.07857419321018 14.007 > 8 54 N 0.83333333333333 0.79880058179770 0.07857419321018 14.007 > 8 55 N 0.00000000000000 0.70119941820230 0.57857419321018 14.007 > 9 56 N 0.33333333333333 0.70119941820230 0.57857419321018 14.007 > 9 57 N 0.66666666666667 0.70119941820230 0.57857419321018 14.007 > 9 58 N 0.00000000000000 0.70119941820230 0.92142580678982 14.007 > 10 59 N 0.33333333333333 0.70119941820230 0.92142580678982 14.007 > 10 60 N 0.66666666666667 0.70119941820230 0.92142580678982 14.007 > 10 *61 O 0.00000000000000 0.24603510705755 0.75000000000000 15.999 > 11 62 O 0.33333333333333 0.24603510705755 0.75000000000000 15.999 > 11 63 O 0.66666666666667 0.24603510705755 0.75000000000000 15.999 > 11 *64 O 0.00000000000000 0.04362861966205 0.11601050277890 15.999 > 12 65 O 0.33333333333333 0.04362861966205 0.11601050277890 15.999 > 12 66 O 0.66666666666667 0.04362861966205 0.11601050277890 15.999 > 12 67 O 0.00000000000000 0.04362861966205 0.38398949722110 15.999 > 13 68 O 0.33333333333333 0.04362861966205 0.38398949722110 15.999 > 13 69 O 0.66666666666667 0.04362861966205 0.38398949722110 15.999 > 13 70 O 0.16666666666667 0.25396489294245 0.25000000000000 15.999 > 14 71 O 0.50000000000000 0.25396489294245 0.25000000000000 15.999 > 14 72 O 0.83333333333333 0.25396489294245 0.25000000000000 15.999 > 14 73 O 0.16666666666667 0.45637138033795 0.88398949722110 15.999 > 15 74 O 0.50000000000000 0.45637138033795 0.88398949722110 15.999 > 15 75 O 0.83333333333333 0.45637138033795 0.88398949722110 15.999 > 15 76 O 0.16666666666667 0.45637138033795 0.61601050277890 15.999 > 16 77 O 0.50000000000000 0.45637138033795 0.61601050277890 15.999 > 16 78 O 0.83333333333333 0.45637138033795 0.61601050277890 15.999 > 16 79 O 0.16666666666667 0.74603510705755 0.75000000000000 15.999 > 11 80 O 0.50000000000000 0.74603510705755 0.75000000000000 15.999 > 11 81 O 0.83333333333333 0.74603510705755 0.75000000000000 15.999 > 11 82 O 0.16666666666667 0.54362861966205 0.11601050277890 15.999 > 12 83 O 0.50000000000000 0.54362861966205 0.11601050277890 15.999 > 12 84 O 0.83333333333333 0.54362861966205 0.11601050277890 15.999 > 12 85 O 0.16666666666667 0.54362861966205 0.38398949722110 15.999 > 13 86 O 0.50000000000000 0.54362861966205 0.38398949722110 15.999 > 13 87 O 0.83333333333333 0.54362861966205 0.38398949722110 15.999 > 13 88 O 0.00000000000000 0.75396489294245 0.25000000000000 15.999 > 14 89 O 0.33333333333333 0.75396489294245 0.25000000000000 15.999 > 14 90 O 0.66666666666667 0.75396489294245 0.25000000000000 15.999 > 14 91 O 0.00000000000000 0.95637138033795 0.88398949722110 15.999 > 15 92 O 0.33333333333333 0.95637138033795 0.88398949722110 15.999 > 15 93 O 0.66666666666667 0.95637138033795 0.88398949722110 15.999 > 15 94 O 0.00000000000000 0.95637138033795 0.61601050277890 15.999 > 16 95 O 0.33333333333333 0.95637138033795 0.61601050277890 15.999 > 16 96 O 0.66666666666667 0.95637138033795 0.61601050277890 15.999 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.5708333 0.0000000 0.0000000 0.0000000 5.2832361 0.0000000 0.0000000 0.0000000 5.7984986 -------------------------- Born effective charges -------------------------- 1 Zr 4.5282006 0.0000000 0.0000000 0.0000000 4.0700652 0.0000000 0.0000000 0.0000000 7.4322403 2 Zr 5.6814260 0.0000000 0.0000000 0.0000000 5.1498836 -0.1627964 0.0000000 0.2498235 4.1705086 3 Zr 5.6814260 0.0000000 0.0000000 0.0000000 5.1498836 0.1627964 0.0000000 -0.2498235 4.1705086 4 Zr 4.5282006 0.0000000 0.0000000 0.0000000 4.0700652 0.0000000 0.0000000 0.0000000 7.4322403 5 Zr 5.6814260 0.0000000 0.0000000 0.0000000 5.1498836 -0.1627964 0.0000000 0.2498235 4.1705086 6 Zr 5.6814260 0.0000000 0.0000000 0.0000000 5.1498836 0.1627964 0.0000000 -0.2498235 4.1705086 7 N -5.0568223 0.0000000 0.0000000 0.0000000 -2.3272886 -0.1964339 0.0000000 -0.1467576 -3.2689378 8 N -5.0568223 0.0000000 0.0000000 0.0000000 -2.3272886 0.1964339 0.0000000 0.1467576 -3.2689378 9 N -5.0568223 0.0000000 0.0000000 0.0000000 -2.3272886 -0.1964339 0.0000000 -0.1467576 -3.2689378 10 N -5.0568223 0.0000000 0.0000000 0.0000000 -2.3272886 0.1964339 0.0000000 0.1467576 -3.2689378 11 O -3.9822517 0.0000000 0.0000000 0.0000000 -1.2868364 0.0000000 0.0000000 0.0000000 -3.0716253 12 O -0.8975781 0.0000000 0.0000000 0.0000000 -4.2142095 -0.4340238 0.0000000 -0.9780294 -3.0818782 13 O -0.8975781 0.0000000 0.0000000 0.0000000 -4.2142095 0.4340238 0.0000000 0.9780294 -3.0818782 14 O -3.9822517 0.0000000 0.0000000 0.0000000 -1.2868364 0.0000000 0.0000000 0.0000000 -3.0716253 15 O -0.8975781 0.0000000 0.0000000 0.0000000 -4.2142095 -0.4340238 0.0000000 -0.9780294 -3.0818782 16 O -0.8975781 0.0000000 0.0000000 0.0000000 -4.2142095 0.4340238 0.0000000 0.9780294 -3.0818782 ---------------------------------------------------------------------------- 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: 8220/8220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1000 Number of blocks in projector: 1000 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 120 Use standard eigh solver. Tree of FC basis block matrices: - (1000, 979), data: False |-- (120, 120), data: True |-- (136, 136), data: True |-- (168, 163), data: True |-- (168, 163), data: True |-- (168, 163), data: True |-- (240, 234), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 0.876 Solver_block: 200 / 240 - Time: 0.873 Solver_block: 240 / 240 - Time: 0.414 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.179 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 8220/8220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1000 Number of blocks in projector: 1000 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 120 Use standard eigh solver. Tree of FC basis block matrices: - (1000, 979), data: False |-- (120, 120), data: True |-- (136, 136), data: True |-- (168, 163), data: True |-- (168, 163), data: True |-- (168, 163), data: True |-- (240, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:49:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:49:45]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.016659189999999 -5.299826665000000 0.000000000000000 b 2.016659189999999 5.299826665000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.586011590000000 Atomic positions (fractional): 1 Zr 0.80850418562255 0.19149581437745 0.25000000000000 91.224 2 Zr 0.85647898510590 0.14352101489410 0.94252840305640 91.224 3 Zr 0.85647898510590 0.14352101489410 0.55747159694360 91.224 4 Zr 0.19149581437745 0.80850418562255 0.75000000000000 91.224 5 Zr 0.14352101489410 0.85647898510590 0.05747159694360 91.224 6 Zr 0.14352101489410 0.85647898510590 0.44252840305640 91.224 7 N 0.70119941820230 0.29880058179770 0.42142580678982 14.007 8 N 0.70119941820230 0.29880058179770 0.07857419321018 14.007 9 N 0.29880058179770 0.70119941820230 0.57857419321018 14.007 10 N 0.29880058179770 0.70119941820230 0.92142580678982 14.007 11 O 0.75396489294245 0.24603510705755 0.75000000000000 15.999 12 O 0.95637138033795 0.04362861966205 0.11601050277890 15.999 13 O 0.95637138033795 0.04362861966205 0.38398949722110 15.999 14 O 0.24603510705755 0.75396489294245 0.25000000000000 15.999 15 O 0.04362861966205 0.95637138033795 0.88398949722110 15.999 16 O 0.04362861966205 0.95637138033795 0.61601050277890 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.099955139999997 0.000000000000000 0.000000000000000 b 0.000000000000000 10.599653330000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.586011590000000 Atomic positions (fractional): 1 Zr 0.00000000000000 0.19149581437745 0.25000000000000 91.224 > 1 2 Zr 0.33333333333333 0.19149581437745 0.25000000000000 91.224 > 1 3 Zr 0.66666666666667 0.19149581437745 0.25000000000000 91.224 > 1 4 Zr 0.00000000000000 0.14352101489410 0.94252840305640 91.224 > 4 5 Zr 0.33333333333333 0.14352101489410 0.94252840305640 91.224 > 4 6 Zr 0.66666666666667 0.14352101489410 0.94252840305640 91.224 > 4 7 Zr 0.00000000000000 0.14352101489410 0.55747159694360 91.224 > 7 8 Zr 0.33333333333333 0.14352101489410 0.55747159694360 91.224 > 7 9 Zr 0.66666666666667 0.14352101489410 0.55747159694360 91.224 > 7 10 Zr 0.16666666666667 0.30850418562255 0.75000000000000 91.224 > 10 11 Zr 0.50000000000000 0.30850418562255 0.75000000000000 91.224 > 10 12 Zr 0.83333333333333 0.30850418562255 0.75000000000000 91.224 > 10 13 Zr 0.16666666666667 0.35647898510590 0.05747159694360 91.224 > 13 14 Zr 0.50000000000000 0.35647898510590 0.05747159694360 91.224 > 13 15 Zr 0.83333333333333 0.35647898510590 0.05747159694360 91.224 > 13 16 Zr 0.16666666666667 0.35647898510590 0.44252840305640 91.224 > 16 17 Zr 0.50000000000000 0.35647898510590 0.44252840305640 91.224 > 16 18 Zr 0.83333333333333 0.35647898510590 0.44252840305640 91.224 > 16 19 Zr 0.16666666666667 0.69149581437745 0.25000000000000 91.224 > 1 20 Zr 0.50000000000000 0.69149581437745 0.25000000000000 91.224 > 1 21 Zr 0.83333333333333 0.69149581437745 0.25000000000000 91.224 > 1 22 Zr 0.16666666666667 0.64352101489410 0.94252840305640 91.224 > 4 23 Zr 0.50000000000000 0.64352101489410 0.94252840305640 91.224 > 4 24 Zr 0.83333333333333 0.64352101489410 0.94252840305640 91.224 > 4 25 Zr 0.16666666666667 0.64352101489410 0.55747159694360 91.224 > 7 26 Zr 0.50000000000000 0.64352101489410 0.55747159694360 91.224 > 7 27 Zr 0.83333333333333 0.64352101489410 0.55747159694360 91.224 > 7 28 Zr 0.00000000000000 0.80850418562255 0.75000000000000 91.224 > 10 29 Zr 0.33333333333333 0.80850418562255 0.75000000000000 91.224 > 10 30 Zr 0.66666666666667 0.80850418562255 0.75000000000000 91.224 > 10 31 Zr 0.00000000000000 0.85647898510590 0.05747159694360 91.224 > 13 32 Zr 0.33333333333333 0.85647898510590 0.05747159694360 91.224 > 13 33 Zr 0.66666666666667 0.85647898510590 0.05747159694360 91.224 > 13 34 Zr 0.00000000000000 0.85647898510590 0.44252840305640 91.224 > 16 35 Zr 0.33333333333333 0.85647898510590 0.44252840305640 91.224 > 16 36 Zr 0.66666666666667 0.85647898510590 0.44252840305640 91.224 > 16 37 N 0.00000000000000 0.29880058179770 0.42142580678982 14.007 > 37 38 N 0.33333333333333 0.29880058179770 0.42142580678982 14.007 > 37 39 N 0.66666666666667 0.29880058179770 0.42142580678982 14.007 > 37 40 N 0.00000000000000 0.29880058179770 0.07857419321018 14.007 > 40 41 N 0.33333333333333 0.29880058179770 0.07857419321018 14.007 > 40 42 N 0.66666666666667 0.29880058179770 0.07857419321018 14.007 > 40 43 N 0.16666666666667 0.20119941820230 0.57857419321018 14.007 > 43 44 N 0.50000000000000 0.20119941820230 0.57857419321018 14.007 > 43 45 N 0.83333333333333 0.20119941820230 0.57857419321018 14.007 > 43 46 N 0.16666666666667 0.20119941820230 0.92142580678982 14.007 > 46 47 N 0.50000000000000 0.20119941820230 0.92142580678982 14.007 > 46 48 N 0.83333333333333 0.20119941820230 0.92142580678982 14.007 > 46 49 N 0.16666666666667 0.79880058179770 0.42142580678982 14.007 > 37 50 N 0.50000000000000 0.79880058179770 0.42142580678982 14.007 > 37 51 N 0.83333333333333 0.79880058179770 0.42142580678982 14.007 > 37 52 N 0.16666666666667 0.79880058179770 0.07857419321018 14.007 > 40 53 N 0.50000000000000 0.79880058179770 0.07857419321018 14.007 > 40 54 N 0.83333333333333 0.79880058179770 0.07857419321018 14.007 > 40 55 N 0.00000000000000 0.70119941820230 0.57857419321018 14.007 > 43 56 N 0.33333333333333 0.70119941820230 0.57857419321018 14.007 > 43 57 N 0.66666666666667 0.70119941820230 0.57857419321018 14.007 > 43 58 N 0.00000000000000 0.70119941820230 0.92142580678982 14.007 > 46 59 N 0.33333333333333 0.70119941820230 0.92142580678982 14.007 > 46 60 N 0.66666666666667 0.70119941820230 0.92142580678982 14.007 > 46 61 O 0.00000000000000 0.24603510705755 0.75000000000000 15.999 > 61 62 O 0.33333333333333 0.24603510705755 0.75000000000000 15.999 > 61 63 O 0.66666666666667 0.24603510705755 0.75000000000000 15.999 > 61 64 O 0.00000000000000 0.04362861966205 0.11601050277890 15.999 > 64 65 O 0.33333333333333 0.04362861966205 0.11601050277890 15.999 > 64 66 O 0.66666666666667 0.04362861966205 0.11601050277890 15.999 > 64 67 O 0.00000000000000 0.04362861966205 0.38398949722110 15.999 > 67 68 O 0.33333333333333 0.04362861966205 0.38398949722110 15.999 > 67 69 O 0.66666666666667 0.04362861966205 0.38398949722110 15.999 > 67 70 O 0.16666666666667 0.25396489294245 0.25000000000000 15.999 > 70 71 O 0.50000000000000 0.25396489294245 0.25000000000000 15.999 > 70 72 O 0.83333333333333 0.25396489294245 0.25000000000000 15.999 > 70 73 O 0.16666666666667 0.45637138033795 0.88398949722110 15.999 > 73 74 O 0.50000000000000 0.45637138033795 0.88398949722110 15.999 > 73 75 O 0.83333333333333 0.45637138033795 0.88398949722110 15.999 > 73 76 O 0.16666666666667 0.45637138033795 0.61601050277890 15.999 > 76 77 O 0.50000000000000 0.45637138033795 0.61601050277890 15.999 > 76 78 O 0.83333333333333 0.45637138033795 0.61601050277890 15.999 > 76 79 O 0.16666666666667 0.74603510705755 0.75000000000000 15.999 > 61 80 O 0.50000000000000 0.74603510705755 0.75000000000000 15.999 > 61 81 O 0.83333333333333 0.74603510705755 0.75000000000000 15.999 > 61 82 O 0.16666666666667 0.54362861966205 0.11601050277890 15.999 > 64 83 O 0.50000000000000 0.54362861966205 0.11601050277890 15.999 > 64 84 O 0.83333333333333 0.54362861966205 0.11601050277890 15.999 > 64 85 O 0.16666666666667 0.54362861966205 0.38398949722110 15.999 > 67 86 O 0.50000000000000 0.54362861966205 0.38398949722110 15.999 > 67 87 O 0.83333333333333 0.54362861966205 0.38398949722110 15.999 > 67 88 O 0.00000000000000 0.75396489294245 0.25000000000000 15.999 > 70 89 O 0.33333333333333 0.75396489294245 0.25000000000000 15.999 > 70 90 O 0.66666666666667 0.75396489294245 0.25000000000000 15.999 > 70 91 O 0.00000000000000 0.95637138033795 0.88398949722110 15.999 > 73 92 O 0.33333333333333 0.95637138033795 0.88398949722110 15.999 > 73 93 O 0.66666666666667 0.95637138033795 0.88398949722110 15.999 > 73 94 O 0.00000000000000 0.95637138033795 0.61601050277890 15.999 > 76 95 O 0.33333333333333 0.95637138033795 0.61601050277890 15.999 > 76 96 O 0.66666666666667 0.95637138033795 0.61601050277890 15.999 > 76 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.5708333 0.0000000 0.0000000 0.0000000 5.2832361 0.0000000 0.0000000 0.0000000 5.7984986 -------------------------- Born effective charges -------------------------- 1 Zr 4.5282006 0.0000000 0.0000000 0.0000000 4.0700652 0.0000000 0.0000000 0.0000000 7.4322403 2 Zr 5.6814260 0.0000000 0.0000000 0.0000000 5.1498836 -0.1627964 0.0000000 0.2498235 4.1705086 3 Zr 5.6814260 0.0000000 0.0000000 0.0000000 5.1498836 0.1627964 0.0000000 -0.2498235 4.1705086 4 Zr 4.5282006 0.0000000 0.0000000 0.0000000 4.0700652 0.0000000 0.0000000 0.0000000 7.4322403 5 Zr 5.6814260 0.0000000 0.0000000 0.0000000 5.1498836 -0.1627964 0.0000000 0.2498235 4.1705086 6 Zr 5.6814260 0.0000000 0.0000000 0.0000000 5.1498836 0.1627964 0.0000000 -0.2498235 4.1705086 7 N -5.0568223 0.0000000 0.0000000 0.0000000 -2.3272886 -0.1964339 0.0000000 -0.1467576 -3.2689378 8 N -5.0568223 0.0000000 0.0000000 0.0000000 -2.3272886 0.1964339 0.0000000 0.1467576 -3.2689378 9 N -5.0568223 0.0000000 0.0000000 0.0000000 -2.3272886 -0.1964339 0.0000000 -0.1467576 -3.2689378 10 N -5.0568223 0.0000000 0.0000000 0.0000000 -2.3272886 0.1964339 0.0000000 0.1467576 -3.2689378 11 O -3.9822517 0.0000000 0.0000000 0.0000000 -1.2868364 0.0000000 0.0000000 0.0000000 -3.0716253 12 O -0.8975781 0.0000000 0.0000000 0.0000000 -4.2142095 -0.4340238 0.0000000 -0.9780294 -3.0818782 13 O -0.8975781 0.0000000 0.0000000 0.0000000 -4.2142095 0.4340238 0.0000000 0.9780294 -3.0818782 14 O -3.9822517 0.0000000 0.0000000 0.0000000 -1.2868364 0.0000000 0.0000000 0.0000000 -3.0716253 15 O -0.8975781 0.0000000 0.0000000 0.0000000 -4.2142095 -0.4340238 0.0000000 -0.9780294 -3.0818782 16 O -0.8975781 0.0000000 0.0000000 0.0000000 -4.2142095 0.4340238 0.0000000 0.9780294 -3.0818782 ---------------------------------------------------------------------------- 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[ 4, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, 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[ 64, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:49:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:49:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.016659189999999 -5.299826665000000 0.000000000000000 b 2.016659189999999 5.299826665000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.586011590000000 Atomic positions (fractional): 1 Zr 0.80850418562255 0.19149581437745 0.25000000000000 91.224 2 Zr 0.85647898510590 0.14352101489410 0.94252840305640 91.224 3 Zr 0.85647898510590 0.14352101489410 0.55747159694360 91.224 4 Zr 0.19149581437745 0.80850418562255 0.75000000000000 91.224 5 Zr 0.14352101489410 0.85647898510590 0.05747159694360 91.224 6 Zr 0.14352101489410 0.85647898510590 0.44252840305640 91.224 7 N 0.70119941820230 0.29880058179770 0.42142580678982 14.007 8 N 0.70119941820230 0.29880058179770 0.07857419321018 14.007 9 N 0.29880058179770 0.70119941820230 0.57857419321018 14.007 10 N 0.29880058179770 0.70119941820230 0.92142580678982 14.007 11 O 0.75396489294245 0.24603510705755 0.75000000000000 15.999 12 O 0.95637138033795 0.04362861966205 0.11601050277890 15.999 13 O 0.95637138033795 0.04362861966205 0.38398949722110 15.999 14 O 0.24603510705755 0.75396489294245 0.25000000000000 15.999 15 O 0.04362861966205 0.95637138033795 0.88398949722110 15.999 16 O 0.04362861966205 0.95637138033795 0.61601050277890 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.099955139999997 0.000000000000000 0.000000000000000 b 0.000000000000000 10.599653330000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.586011590000000 Atomic positions (fractional): 1 Zr 0.00000000000000 0.19149581437745 0.25000000000000 91.224 > 1 2 Zr 0.33333333333333 0.19149581437745 0.25000000000000 91.224 > 1 3 Zr 0.66666666666667 0.19149581437745 0.25000000000000 91.224 > 1 4 Zr 0.00000000000000 0.14352101489410 0.94252840305640 91.224 > 4 5 Zr 0.33333333333333 0.14352101489410 0.94252840305640 91.224 > 4 6 Zr 0.66666666666667 0.14352101489410 0.94252840305640 91.224 > 4 7 Zr 0.00000000000000 0.14352101489410 0.55747159694360 91.224 > 7 8 Zr 0.33333333333333 0.14352101489410 0.55747159694360 91.224 > 7 9 Zr 0.66666666666667 0.14352101489410 0.55747159694360 91.224 > 7 10 Zr 0.16666666666667 0.30850418562255 0.75000000000000 91.224 > 10 11 Zr 0.50000000000000 0.30850418562255 0.75000000000000 91.224 > 10 12 Zr 0.83333333333333 0.30850418562255 0.75000000000000 91.224 > 10 13 Zr 0.16666666666667 0.35647898510590 0.05747159694360 91.224 > 13 14 Zr 0.50000000000000 0.35647898510590 0.05747159694360 91.224 > 13 15 Zr 0.83333333333333 0.35647898510590 0.05747159694360 91.224 > 13 16 Zr 0.16666666666667 0.35647898510590 0.44252840305640 91.224 > 16 17 Zr 0.50000000000000 0.35647898510590 0.44252840305640 91.224 > 16 18 Zr 0.83333333333333 0.35647898510590 0.44252840305640 91.224 > 16 19 Zr 0.16666666666667 0.69149581437745 0.25000000000000 91.224 > 1 20 Zr 0.50000000000000 0.69149581437745 0.25000000000000 91.224 > 1 21 Zr 0.83333333333333 0.69149581437745 0.25000000000000 91.224 > 1 22 Zr 0.16666666666667 0.64352101489410 0.94252840305640 91.224 > 4 23 Zr 0.50000000000000 0.64352101489410 0.94252840305640 91.224 > 4 24 Zr 0.83333333333333 0.64352101489410 0.94252840305640 91.224 > 4 25 Zr 0.16666666666667 0.64352101489410 0.55747159694360 91.224 > 7 26 Zr 0.50000000000000 0.64352101489410 0.55747159694360 91.224 > 7 27 Zr 0.83333333333333 0.64352101489410 0.55747159694360 91.224 > 7 28 Zr 0.00000000000000 0.80850418562255 0.75000000000000 91.224 > 10 29 Zr 0.33333333333333 0.80850418562255 0.75000000000000 91.224 > 10 30 Zr 0.66666666666667 0.80850418562255 0.75000000000000 91.224 > 10 31 Zr 0.00000000000000 0.85647898510590 0.05747159694360 91.224 > 13 32 Zr 0.33333333333333 0.85647898510590 0.05747159694360 91.224 > 13 33 Zr 0.66666666666667 0.85647898510590 0.05747159694360 91.224 > 13 34 Zr 0.00000000000000 0.85647898510590 0.44252840305640 91.224 > 16 35 Zr 0.33333333333333 0.85647898510590 0.44252840305640 91.224 > 16 36 Zr 0.66666666666667 0.85647898510590 0.44252840305640 91.224 > 16 37 N 0.00000000000000 0.29880058179770 0.42142580678982 14.007 > 37 38 N 0.33333333333333 0.29880058179770 0.42142580678982 14.007 > 37 39 N 0.66666666666667 0.29880058179770 0.42142580678982 14.007 > 37 40 N 0.00000000000000 0.29880058179770 0.07857419321018 14.007 > 40 41 N 0.33333333333333 0.29880058179770 0.07857419321018 14.007 > 40 42 N 0.66666666666667 0.29880058179770 0.07857419321018 14.007 > 40 43 N 0.16666666666667 0.20119941820230 0.57857419321018 14.007 > 43 44 N 0.50000000000000 0.20119941820230 0.57857419321018 14.007 > 43 45 N 0.83333333333333 0.20119941820230 0.57857419321018 14.007 > 43 46 N 0.16666666666667 0.20119941820230 0.92142580678982 14.007 > 46 47 N 0.50000000000000 0.20119941820230 0.92142580678982 14.007 > 46 48 N 0.83333333333333 0.20119941820230 0.92142580678982 14.007 > 46 49 N 0.16666666666667 0.79880058179770 0.42142580678982 14.007 > 37 50 N 0.50000000000000 0.79880058179770 0.42142580678982 14.007 > 37 51 N 0.83333333333333 0.79880058179770 0.42142580678982 14.007 > 37 52 N 0.16666666666667 0.79880058179770 0.07857419321018 14.007 > 40 53 N 0.50000000000000 0.79880058179770 0.07857419321018 14.007 > 40 54 N 0.83333333333333 0.79880058179770 0.07857419321018 14.007 > 40 55 N 0.00000000000000 0.70119941820230 0.57857419321018 14.007 > 43 56 N 0.33333333333333 0.70119941820230 0.57857419321018 14.007 > 43 57 N 0.66666666666667 0.70119941820230 0.57857419321018 14.007 > 43 58 N 0.00000000000000 0.70119941820230 0.92142580678982 14.007 > 46 59 N 0.33333333333333 0.70119941820230 0.92142580678982 14.007 > 46 60 N 0.66666666666667 0.70119941820230 0.92142580678982 14.007 > 46 61 O 0.00000000000000 0.24603510705755 0.75000000000000 15.999 > 61 62 O 0.33333333333333 0.24603510705755 0.75000000000000 15.999 > 61 63 O 0.66666666666667 0.24603510705755 0.75000000000000 15.999 > 61 64 O 0.00000000000000 0.04362861966205 0.11601050277890 15.999 > 64 65 O 0.33333333333333 0.04362861966205 0.11601050277890 15.999 > 64 66 O 0.66666666666667 0.04362861966205 0.11601050277890 15.999 > 64 67 O 0.00000000000000 0.04362861966205 0.38398949722110 15.999 > 67 68 O 0.33333333333333 0.04362861966205 0.38398949722110 15.999 > 67 69 O 0.66666666666667 0.04362861966205 0.38398949722110 15.999 > 67 70 O 0.16666666666667 0.25396489294245 0.25000000000000 15.999 > 70 71 O 0.50000000000000 0.25396489294245 0.25000000000000 15.999 > 70 72 O 0.83333333333333 0.25396489294245 0.25000000000000 15.999 > 70 73 O 0.16666666666667 0.45637138033795 0.88398949722110 15.999 > 73 74 O 0.50000000000000 0.45637138033795 0.88398949722110 15.999 > 73 75 O 0.83333333333333 0.45637138033795 0.88398949722110 15.999 > 73 76 O 0.16666666666667 0.45637138033795 0.61601050277890 15.999 > 76 77 O 0.50000000000000 0.45637138033795 0.61601050277890 15.999 > 76 78 O 0.83333333333333 0.45637138033795 0.61601050277890 15.999 > 76 79 O 0.16666666666667 0.74603510705755 0.75000000000000 15.999 > 61 80 O 0.50000000000000 0.74603510705755 0.75000000000000 15.999 > 61 81 O 0.83333333333333 0.74603510705755 0.75000000000000 15.999 > 61 82 O 0.16666666666667 0.54362861966205 0.11601050277890 15.999 > 64 83 O 0.50000000000000 0.54362861966205 0.11601050277890 15.999 > 64 84 O 0.83333333333333 0.54362861966205 0.11601050277890 15.999 > 64 85 O 0.16666666666667 0.54362861966205 0.38398949722110 15.999 > 67 86 O 0.50000000000000 0.54362861966205 0.38398949722110 15.999 > 67 87 O 0.83333333333333 0.54362861966205 0.38398949722110 15.999 > 67 88 O 0.00000000000000 0.75396489294245 0.25000000000000 15.999 > 70 89 O 0.33333333333333 0.75396489294245 0.25000000000000 15.999 > 70 90 O 0.66666666666667 0.75396489294245 0.25000000000000 15.999 > 70 91 O 0.00000000000000 0.95637138033795 0.88398949722110 15.999 > 73 92 O 0.33333333333333 0.95637138033795 0.88398949722110 15.999 > 73 93 O 0.66666666666667 0.95637138033795 0.88398949722110 15.999 > 73 94 O 0.00000000000000 0.95637138033795 0.61601050277890 15.999 > 76 95 O 0.33333333333333 0.95637138033795 0.61601050277890 15.999 > 76 96 O 0.66666666666667 0.95637138033795 0.61601050277890 15.999 > 76 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.5708333 0.0000000 0.0000000 0.0000000 5.2832361 0.0000000 0.0000000 0.0000000 5.7984986 -------------------------- Born effective charges -------------------------- 1 Zr 4.5282006 0.0000000 0.0000000 0.0000000 4.0700652 0.0000000 0.0000000 0.0000000 7.4322403 2 Zr 5.6814260 0.0000000 0.0000000 0.0000000 5.1498836 -0.1627964 0.0000000 0.2498235 4.1705086 3 Zr 5.6814260 0.0000000 0.0000000 0.0000000 5.1498836 0.1627964 0.0000000 -0.2498235 4.1705086 4 Zr 4.5282006 0.0000000 0.0000000 0.0000000 4.0700652 0.0000000 0.0000000 0.0000000 7.4322403 5 Zr 5.6814260 0.0000000 0.0000000 0.0000000 5.1498836 -0.1627964 0.0000000 0.2498235 4.1705086 6 Zr 5.6814260 0.0000000 0.0000000 0.0000000 5.1498836 0.1627964 0.0000000 -0.2498235 4.1705086 7 N -5.0568223 0.0000000 0.0000000 0.0000000 -2.3272886 -0.1964339 0.0000000 -0.1467576 -3.2689378 8 N -5.0568223 0.0000000 0.0000000 0.0000000 -2.3272886 0.1964339 0.0000000 0.1467576 -3.2689378 9 N -5.0568223 0.0000000 0.0000000 0.0000000 -2.3272886 -0.1964339 0.0000000 -0.1467576 -3.2689378 10 N -5.0568223 0.0000000 0.0000000 0.0000000 -2.3272886 0.1964339 0.0000000 0.1467576 -3.2689378 11 O -3.9822517 0.0000000 0.0000000 0.0000000 -1.2868364 0.0000000 0.0000000 0.0000000 -3.0716253 12 O -0.8975781 0.0000000 0.0000000 0.0000000 -4.2142095 -0.4340238 0.0000000 -0.9780294 -3.0818782 13 O -0.8975781 0.0000000 0.0000000 0.0000000 -4.2142095 0.4340238 0.0000000 0.9780294 -3.0818782 14 O -3.9822517 0.0000000 0.0000000 0.0000000 -1.2868364 0.0000000 0.0000000 0.0000000 -3.0716253 15 O -0.8975781 0.0000000 0.0000000 0.0000000 -4.2142095 -0.4340238 0.0000000 -0.9780294 -3.0818782 16 O -0.8975781 0.0000000 0.0000000 0.0000000 -4.2142095 0.4340238 0.0000000 0.9780294 -3.0818782 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 13 5 ] 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: 0.68, Number of G-points: 299, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/147) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.351 ( 0.000 0.000 0.000) 0.000 3.424 ( 0.000 0.000 0.000) 0.000 3.621 ( 0.000 0.000 0.000) 0.000 3.902 ( 0.000 0.000 0.000) 0.000 4.039 ( 0.000 0.000 0.000) 0.000 4.899 ( 0.000 0.000 0.000) 0.000 4.918 ( 0.000 0.000 0.000) 0.000 4.997 ( 0.000 0.000 0.000) 0.000 5.887 ( 0.000 0.000 0.000) 0.000 5.914 ( 0.000 0.000 0.000) 0.000 6.210 ( 0.000 0.000 0.000) 0.000 6.243 ( 0.000 0.000 0.000) 0.000 6.577 ( 0.000 0.000 0.000) 0.000 6.624 ( 0.000 0.000 0.000) 0.000 6.863 ( 0.000 0.000 0.000) 0.000 7.074 ( 0.000 0.000 0.000) 0.000 8.328 ( 0.000 0.000 0.000) 0.000 8.687 ( 0.000 0.000 0.000) 0.000 9.192 ( 0.000 0.000 0.000) 0.000 9.296 ( 0.000 0.000 0.000) 0.000 9.611 ( 0.000 0.000 0.000) 0.000 10.168 ( 0.000 0.000 0.000) 0.000 10.504 ( 0.000 0.000 0.000) 0.000 11.745 ( 0.000 0.000 0.000) 0.000 11.877 ( 0.000 0.000 0.000) 0.000 13.363 ( 0.000 0.000 0.000) 0.000 13.797 ( 0.000 0.000 0.000) 0.000 13.829 ( 0.000 0.000 0.000) 0.000 14.291 ( 0.000 0.000 0.000) 0.000 14.413 ( 0.000 0.000 0.000) 0.000 14.501 ( 0.000 0.000 0.000) 0.000 15.109 ( 0.000 0.000 0.000) 0.000 15.387 ( 0.000 0.000 0.000) 0.000 15.706 ( 0.000 0.000 0.000) 0.000 16.205 ( 0.000 0.000 0.000) 0.000 16.281 ( 0.000 0.000 0.000) 0.000 17.199 ( 0.000 0.000 0.000) 0.000 17.543 ( 0.000 0.000 0.000) 0.000 18.316 ( 0.000 0.000 0.000) 0.000 18.693 ( 0.000 0.000 0.000) 0.000 19.033 ( 0.000 0.000 0.000) 0.000 19.098 ( 0.000 0.000 0.000) 0.000 20.764 ( 0.000 0.000 0.000) 0.000 20.927 ( 0.000 0.000 0.000) 0.000 20.979 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/147) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 16.760 -50.724 0.000) 53.422 0.859 ( 39.935 -10.532 0.000) 41.301 1.430 ( 69.137 -8.800 0.000) 69.695 3.367 ( 1.861 -1.192 0.000) 2.210 3.488 ( 5.216 -4.579 0.000) 6.940 3.623 ( 0.438 -0.279 0.000) 0.519 3.884 ( -0.066 1.205 0.000) 1.207 4.068 ( 3.214 0.533 0.000) 3.258 4.909 ( -0.819 0.301 0.000) 0.873 4.994 ( 7.907 4.882 0.000) 9.293 5.057 ( 6.014 -3.614 0.000) 7.016 5.931 ( 7.340 9.595 0.000) 12.080 6.105 ( 19.564 2.620 0.000) 19.739 6.276 ( 11.219 8.446 0.000) 14.043 6.351 ( 13.277 5.952 0.000) 14.550 6.536 ( -2.178 -8.026 0.000) 8.316 6.710 ( 4.055 -11.389 0.000) 12.089 7.167 ( 25.326 -1.448 0.000) 25.368 7.270 ( 8.377 -2.900 0.000) 8.865 8.312 ( 6.291 18.222 0.000) 19.278 8.757 ( 1.387 -14.186 0.000) 14.254 9.145 ( -3.583 2.973 0.000) 4.656 9.341 ( 3.563 -1.526 0.000) 3.876 9.524 ( -8.454 0.785 0.000) 8.490 10.233 ( 6.271 -2.169 0.000) 6.635 10.433 ( -4.664 6.029 0.000) 7.623 11.685 ( -8.093 -4.142 0.000) 9.091 11.902 ( -9.184 -18.900 0.000) 21.013 13.597 ( -21.954 10.813 0.000) 24.472 13.718 ( -6.098 4.891 0.000) 7.817 13.859 ( -35.828 -7.884 0.000) 36.685 14.342 ( -5.724 -0.703 0.000) 5.767 14.436 ( 3.073 7.265 0.000) 7.889 14.910 ( -8.900 1.303 0.000) 8.995 15.308 ( -7.723 0.547 0.000) 7.742 16.006 ( -17.164 -1.179 0.000) 17.205 16.107 ( 19.858 2.257 0.000) 19.986 16.264 ( -2.465 -2.108 0.000) 3.243 17.199 ( 10.819 -4.923 0.000) 11.886 17.273 ( 10.074 5.919 0.000) 11.684 17.990 ( -21.174 -4.670 0.000) 21.683 18.273 ( -21.881 10.100 0.000) 24.100 19.560 ( 40.134 -2.119 0.000) 40.190 19.618 ( 37.745 3.712 0.000) 37.927 20.903 ( 17.967 25.465 0.000) 31.166 20.913 ( 17.424 3.661 0.000) 17.805 21.075 ( 5.771 -7.678 0.000) 9.605 23.069 ( 2.499 7.406 0.000) 7.816 ======================= Grid point 2 (3/147) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 19.487 -43.823 0.000) 47.961 1.659 ( 35.501 -10.656 0.000) 37.066 2.724 ( 58.145 -10.942 0.000) 59.166 3.469 ( 7.936 -2.313 0.000) 8.266 3.666 ( 4.647 -0.313 0.000) 4.657 3.698 ( 11.987 -8.581 0.000) 14.742 3.930 ( 6.508 1.660 0.000) 6.716 4.150 ( 5.915 0.983 0.000) 5.996 4.885 ( -1.448 0.300 0.000) 1.478 5.093 ( 5.725 2.014 0.000) 6.069 5.206 ( 5.953 0.561 0.000) 5.979 5.983 ( 8.140 18.629 0.000) 20.330 6.454 ( 20.412 13.149 0.000) 24.281 6.620 ( 26.023 7.605 0.000) 27.111 6.654 ( 4.713 -15.231 0.000) 15.944 6.670 ( 28.300 3.472 0.000) 28.512 6.948 ( 12.865 -9.636 0.000) 16.073 7.547 ( 15.219 -10.712 0.000) 18.611 7.739 ( 31.888 -0.407 0.000) 31.890 8.351 ( 13.814 20.714 0.000) 24.898 8.935 ( 6.453 -14.484 0.000) 15.857 9.021 ( -5.761 5.896 0.000) 8.243 9.313 ( -11.863 0.403 0.000) 11.869 9.421 ( 2.061 -4.136 0.000) 4.621 10.269 ( -5.384 10.016 0.000) 11.371 10.443 ( 13.818 -1.146 0.000) 13.866 11.490 ( -17.304 -10.373 0.000) 20.175 11.847 ( -10.545 -18.521 0.000) 21.313 12.940 ( -29.569 13.730 0.000) 32.601 13.318 ( -30.277 -11.162 0.000) 32.269 13.525 ( -9.401 4.706 0.000) 10.513 14.253 ( -4.118 -2.286 0.000) 4.710 14.409 ( -6.897 -8.506 0.000) 10.951 14.729 ( -9.012 5.596 0.000) 10.608 15.105 ( -12.876 -0.375 0.000) 12.881 15.660 ( -18.593 0.823 0.000) 18.612 16.172 ( -6.415 -1.352 0.000) 6.556 16.220 ( -6.617 1.472 0.000) 6.779 17.365 ( 3.867 15.095 0.000) 15.582 17.425 ( 12.171 5.147 0.000) 13.215 17.817 ( -3.406 -13.404 0.000) 13.830 17.839 ( -14.528 11.838 0.000) 18.740 20.297 ( 36.371 9.581 0.000) 37.612 20.388 ( 43.161 -2.375 0.000) 43.226 21.156 ( 20.240 9.522 0.000) 22.368 21.273 ( 8.989 -10.163 0.000) 13.568 21.372 ( 33.163 5.941 0.000) 33.691 23.069 ( 2.523 5.132 0.000) 5.718 ======================= Grid point 3 (4/147) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 20.364 -33.425 0.000) 39.140 2.356 ( 29.489 -10.112 0.000) 31.175 3.695 ( 13.293 -2.263 0.000) 13.485 3.766 ( 34.902 -11.011 0.000) 36.598 3.833 ( 17.578 -5.625 0.000) 18.456 4.067 ( 18.204 -12.354 0.000) 22.000 4.109 ( 13.871 3.418 0.000) 14.285 4.272 ( 7.422 1.353 0.000) 7.544 4.850 ( -2.087 0.082 0.000) 2.088 5.184 ( 4.402 -0.414 0.000) 4.421 5.270 ( 2.430 0.255 0.000) 2.444 5.966 ( 5.710 22.388 0.000) 23.104 6.744 ( 17.616 6.516 0.000) 18.782 6.877 ( 5.646 -15.139 0.000) 16.158 6.996 ( 24.530 22.814 0.000) 33.499 7.277 ( 29.653 -0.494 0.000) 29.657 7.390 ( 29.884 -5.615 0.000) 30.406 7.958 ( 16.130 -13.104 0.000) 20.782 8.288 ( 23.045 2.394 0.000) 23.169 8.584 ( 25.731 15.286 0.000) 29.929 8.878 ( -2.289 6.042 0.000) 6.461 9.105 ( -9.381 -0.213 0.000) 9.384 9.223 ( 14.386 -10.078 0.000) 17.565 9.477 ( 0.052 -7.276 0.000) 7.276 10.121 ( -0.939 12.206 0.000) 12.242 10.665 ( 5.179 5.333 0.000) 7.434 11.308 ( -6.112 -19.885 0.000) 20.803 11.791 ( -8.953 -19.301 0.000) 21.276 12.367 ( -21.361 11.952 0.000) 24.477 12.881 ( -22.346 -10.238 0.000) 24.580 13.328 ( -8.224 1.186 0.000) 8.309 14.213 ( -1.943 -0.895 0.000) 2.140 14.283 ( -14.181 -12.212 0.000) 18.715 14.464 ( -12.453 11.295 0.000) 16.812 14.841 ( -16.121 -2.587 0.000) 16.327 15.298 ( -16.985 3.577 0.000) 17.358 15.960 ( -15.679 2.571 0.000) 15.888 16.010 ( -14.060 -3.287 0.000) 14.439 17.296 ( -0.369 6.719 0.000) 6.729 17.555 ( -4.518 11.896 0.000) 12.725 17.592 ( 8.907 7.894 0.000) 11.902 17.884 ( 0.311 -5.921 0.000) 5.929 20.820 ( 25.966 10.159 0.000) 27.882 21.200 ( 39.311 -2.713 0.000) 39.405 21.370 ( 7.565 2.038 0.000) 7.835 21.685 ( 24.518 -8.507 0.000) 25.952 22.009 ( 36.109 6.955 0.000) 36.773 23.097 ( 3.616 3.291 0.000) 4.890 ======================= Grid point 4 (5/147) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 17.900 -21.271 0.000) 27.800 2.923 ( 22.690 -8.470 0.000) 24.219 3.975 ( 13.873 -1.355 0.000) 13.939 4.065 ( 12.775 -3.903 0.000) 13.358 4.358 ( 15.393 2.676 0.000) 15.623 4.402 ( 7.710 2.871 0.000) 8.227 4.527 ( 22.408 -10.947 0.000) 24.939 4.541 ( 19.149 -16.661 0.000) 25.383 4.804 ( -2.822 -0.323 0.000) 2.840 5.226 ( 1.007 2.172 0.000) 2.394 5.427 ( 11.076 -14.992 0.000) 18.640 5.883 ( 3.133 22.976 0.000) 23.188 7.024 ( 15.642 5.392 0.000) 16.546 7.054 ( 2.477 -11.091 0.000) 11.364 7.199 ( 15.913 26.464 0.000) 30.880 7.774 ( 20.551 3.718 0.000) 20.884 8.005 ( 26.591 -2.100 0.000) 26.673 8.259 ( 10.676 -5.795 0.000) 12.147 8.578 ( 11.729 3.605 0.000) 12.270 8.900 ( 0.352 1.306 0.000) 1.352 9.034 ( 26.950 9.632 0.000) 28.619 9.036 ( 8.575 -4.522 0.000) 9.694 9.516 ( 4.082 -9.623 0.000) 10.453 9.655 ( 18.563 -4.956 0.000) 19.213 10.064 ( 4.066 12.643 0.000) 13.281 10.577 ( -5.511 0.131 0.000) 5.513 11.570 ( 13.371 -9.960 0.000) 16.673 11.817 ( -1.695 -17.716 0.000) 17.797 11.952 ( -13.196 3.519 0.000) 13.657 12.627 ( -12.117 -8.574 0.000) 14.844 13.216 ( -3.011 -0.862 0.000) 3.132 14.061 ( -17.194 -10.855 0.000) 20.334 14.100 ( -14.926 15.745 0.000) 21.695 14.152 ( -6.085 3.268 0.000) 6.907 14.496 ( -21.305 -4.018 0.000) 21.681 15.019 ( -8.852 2.543 0.000) 9.210 15.613 ( -17.527 2.909 0.000) 17.767 15.710 ( -19.996 -4.532 0.000) 20.503 17.272 ( 0.591 1.159 0.000) 1.301 17.429 ( 0.112 9.745 0.000) 9.746 17.712 ( 8.187 6.841 0.000) 10.669 17.902 ( -0.806 -1.623 0.000) 1.812 21.162 ( 16.555 5.944 0.000) 17.590 21.462 ( 3.825 1.569 0.000) 4.134 21.906 ( 32.177 -3.161 0.000) 32.332 22.219 ( 23.814 -7.383 0.000) 24.932 22.574 ( 27.196 6.874 0.000) 28.051 23.151 ( 3.512 1.493 0.000) 3.816 ======================= Grid point 5 (6/147) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.014 ( 12.262 -10.509 0.000) 16.150 3.339 ( 15.170 -5.987 0.000) 16.309 4.213 ( 9.704 -0.448 0.000) 9.714 4.323 ( 10.045 -5.285 0.000) 11.350 4.512 ( 5.929 3.258 0.000) 6.765 4.579 ( 10.324 6.318 0.000) 12.104 4.745 ( -3.179 -1.164 0.000) 3.386 4.828 ( 4.972 -5.504 0.000) 7.417 5.003 ( 14.648 -18.502 0.000) 23.598 5.254 ( 3.639 -0.012 0.000) 3.639 5.758 ( 0.908 21.913 0.000) 21.932 5.883 ( 16.528 -29.454 0.000) 33.774 7.131 ( -0.587 -6.273 0.000) 6.301 7.204 ( 11.975 29.257 0.000) 31.613 7.259 ( 7.347 7.394 0.000) 10.423 7.922 ( 2.145 3.497 0.000) 4.103 8.332 ( 3.203 -0.938 0.000) 3.337 8.545 ( 16.457 0.538 0.000) 16.466 8.712 ( 4.849 2.212 0.000) 5.330 8.976 ( 11.803 -0.347 0.000) 11.808 9.361 ( 13.946 -9.362 0.000) 16.797 9.406 ( 17.760 4.688 0.000) 18.368 9.694 ( 7.416 -8.983 0.000) 11.649 10.052 ( 18.964 -0.042 0.000) 18.964 10.066 ( 4.256 10.560 0.000) 11.385 10.545 ( -0.471 -2.916 0.000) 2.954 11.542 ( -5.066 12.440 0.000) 13.432 12.006 ( 10.396 -12.753 0.000) 16.453 12.119 ( 13.744 -18.636 0.000) 23.156 12.511 ( -5.980 -5.557 0.000) 8.164 13.227 ( 3.301 0.095 0.000) 3.303 13.691 ( -14.629 16.899 0.000) 22.352 13.758 ( -26.092 9.851 0.000) 27.889 13.814 ( -18.679 -12.912 0.000) 22.708 14.283 ( -4.394 -2.336 0.000) 4.976 14.901 ( -3.525 0.242 0.000) 3.533 15.274 ( -15.833 2.115 0.000) 15.974 15.357 ( -18.230 -3.873 0.000) 18.637 17.287 ( 0.719 -0.808 0.000) 1.082 17.398 ( 2.107 6.249 0.000) 6.594 17.803 ( 5.493 4.169 0.000) 6.895 17.892 ( -0.619 -0.050 0.000) 0.621 21.376 ( 9.304 2.590 0.000) 9.658 21.504 ( 1.810 1.022 0.000) 2.079 22.461 ( 23.144 -3.581 0.000) 23.419 22.668 ( 17.930 -5.571 0.000) 18.776 22.919 ( 13.585 5.959 0.000) 14.834 23.189 ( 0.771 0.722 0.000) 1.056 ======================= Grid point 6 (7/147) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.223 ( 4.377 -2.961 0.000) 5.285 3.573 ( 5.651 -2.334 0.000) 6.113 4.337 ( 3.135 0.094 0.000) 3.136 4.503 ( 4.627 -4.069 0.000) 6.162 4.573 ( 2.333 1.960 0.000) 3.048 4.648 ( 1.831 4.613 0.000) 4.963 4.706 ( -1.447 -1.073 0.000) 1.802 4.888 ( 0.430 -1.269 0.000) 1.340 5.338 ( 3.021 -0.910 0.000) 3.155 5.354 ( 7.553 -19.246 0.000) 20.675 5.596 ( -2.097 20.179 0.000) 20.287 6.345 ( 8.081 -22.474 0.000) 23.882 7.121 ( 3.396 24.088 0.000) 24.326 7.143 ( -0.759 -1.960 0.000) 2.102 7.332 ( 2.376 1.674 0.000) 2.906 7.923 ( -0.050 0.062 0.000) 0.080 8.282 ( -3.135 0.516 0.000) 3.178 8.751 ( 0.986 0.691 0.000) 1.204 8.797 ( 7.713 0.292 0.000) 7.719 9.195 ( 6.950 -0.545 0.000) 6.972 9.609 ( 5.288 -5.113 0.000) 7.356 9.664 ( 10.737 2.516 0.000) 11.028 9.846 ( 1.127 -6.098 0.000) 6.201 10.062 ( 1.384 4.910 0.000) 5.101 10.335 ( 11.149 3.049 0.000) 11.559 10.516 ( -5.107 -2.587 0.000) 5.725 11.446 ( 1.119 5.138 0.000) 5.259 12.397 ( 21.634 -6.790 0.000) 22.675 12.413 ( -0.033 -9.447 0.000) 9.447 12.507 ( 5.687 -3.330 0.000) 6.590 13.068 ( -28.194 0.545 0.000) 28.199 13.350 ( -8.303 10.192 0.000) 13.146 13.408 ( 10.616 13.736 0.000) 17.360 13.584 ( -15.729 -12.633 0.000) 20.175 14.252 ( -0.765 -0.497 0.000) 0.912 14.859 ( -1.041 -0.115 0.000) 1.047 15.017 ( -8.143 0.184 0.000) 8.145 15.135 ( -6.357 -0.933 0.000) 6.425 17.302 ( 0.274 -0.526 0.000) 0.593 17.401 ( 1.066 2.132 0.000) 2.384 17.855 ( 1.960 1.349 0.000) 2.379 17.884 ( -0.172 0.132 0.000) 0.217 21.482 ( 3.074 0.817 0.000) 3.180 21.521 ( 0.474 0.180 0.000) 0.507 22.829 ( 12.039 -3.712 0.000) 12.598 22.974 ( 10.470 -3.240 0.000) 10.959 23.009 ( 0.273 4.507 0.000) 4.515 23.153 ( -3.904 1.325 0.000) 4.123 ======================= Grid point 14 (8/147) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 29.833 -0.000 0.000) 29.833 1.579 ( 37.468 -0.000 0.000) 37.468 2.651 ( 59.310 -0.000 0.000) 59.310 3.453 ( 8.203 -0.000 0.000) 8.203 3.633 ( 11.758 -0.000 0.000) 11.758 3.663 ( 4.422 -0.000 0.000) 4.422 3.943 ( 6.628 -0.000 0.000) 6.628 4.159 ( 6.034 -0.000 0.000) 6.034 4.886 ( -1.616 0.000 0.000) 1.616 5.109 ( 4.123 -0.000 0.000) 4.123 5.208 ( 7.083 -0.000 0.000) 7.083 6.161 ( 11.284 -0.000 0.000) 11.284 6.500 ( 1.810 -0.000 0.000) 1.810 6.589 ( 20.721 -0.000 0.000) 20.721 6.643 ( 22.161 -0.000 0.000) 22.161 6.690 ( 26.704 -0.000 0.000) 26.704 6.896 ( 21.150 -0.000 0.000) 21.150 7.452 ( 12.406 -0.000 0.000) 12.406 7.737 ( 32.859 -0.000 0.000) 32.859 8.581 ( 13.613 -0.000 0.000) 13.613 8.749 ( 5.698 -0.000 0.000) 5.698 9.066 ( -5.517 0.000 0.000) 5.517 9.315 ( -12.651 0.000 0.000) 12.651 9.391 ( 1.581 -0.000 0.000) 1.581 10.348 ( -5.911 0.000 0.000) 5.911 10.438 ( 16.049 -0.000 0.000) 16.049 11.412 ( -19.057 0.000 0.000) 19.057 11.702 ( -7.885 0.000 0.000) 7.885 13.102 ( -32.216 0.000 0.000) 32.216 13.175 ( -28.283 0.000 0.000) 28.283 13.570 ( -10.610 0.000 0.000) 10.610 14.231 ( -4.148 0.000 0.000) 4.148 14.338 ( -9.099 0.000 0.000) 9.099 14.771 ( -7.907 0.000 0.000) 7.907 15.100 ( -13.494 0.000 0.000) 13.494 15.670 ( -17.243 0.000 0.000) 17.243 16.163 ( -7.283 0.000 0.000) 7.283 16.231 ( -6.002 0.000 0.000) 6.002 17.462 ( 13.380 -0.000 0.000) 13.380 17.583 ( 14.872 -0.000 0.000) 14.872 17.612 ( -14.724 0.000 0.000) 14.724 17.931 ( -16.239 0.000 0.000) 16.239 20.370 ( 43.455 -0.000 0.000) 43.455 20.375 ( 37.486 -0.000 0.000) 37.486 21.188 ( 9.200 -0.000 0.000) 9.200 21.237 ( 14.827 -0.000 0.000) 14.827 21.416 ( 32.729 -0.000 0.000) 32.729 23.109 ( 0.748 -0.000 0.000) 0.748 ======================= Grid point 15 (9/147) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 30.927 -16.832 0.000) 35.211 2.255 ( 31.692 -3.589 0.000) 31.894 3.642 ( 41.942 -4.373 0.000) 42.170 3.677 ( 14.474 -0.330 0.000) 14.478 3.800 ( 9.604 -0.852 0.000) 9.641 3.929 ( 16.745 -5.455 0.000) 17.611 4.148 ( 15.355 1.565 0.000) 15.435 4.293 ( 8.303 0.984 0.000) 8.362 4.849 ( -2.366 -0.111 0.000) 2.368 5.171 ( 2.316 -0.776 0.000) 2.443 5.281 ( 1.316 0.640 0.000) 1.463 6.276 ( 7.555 19.102 0.000) 20.542 6.629 ( 4.276 -17.184 0.000) 17.708 6.810 ( 12.726 2.516 0.000) 12.973 7.258 ( 34.137 5.647 0.000) 34.601 7.300 ( 33.508 1.004 0.000) 33.523 7.344 ( 27.132 7.087 0.000) 28.042 7.758 ( 15.121 -12.409 0.000) 19.561 8.318 ( 25.249 1.319 0.000) 25.283 8.812 ( 20.797 15.243 0.000) 25.785 8.950 ( -4.660 3.246 0.000) 5.680 9.044 ( 16.784 -13.716 0.000) 21.675 9.090 ( -10.219 -1.268 0.000) 10.297 9.405 ( -0.074 -2.506 0.000) 2.507 10.247 ( -1.997 4.652 0.000) 5.063 10.778 ( 13.814 9.177 0.000) 16.584 11.046 ( -14.018 -14.478 0.000) 20.153 11.585 ( -6.731 -7.819 0.000) 10.317 12.547 ( -22.018 12.457 0.000) 25.297 12.723 ( -22.040 -11.545 0.000) 24.880 13.357 ( -9.700 1.794 0.000) 9.864 14.135 ( -13.197 -6.354 0.000) 14.647 14.205 ( -0.563 -0.242 0.000) 0.613 14.577 ( -11.228 4.027 0.000) 11.928 14.814 ( -16.962 -0.998 0.000) 16.991 15.343 ( -15.972 1.940 0.000) 16.089 15.967 ( -13.842 -0.886 0.000) 13.870 15.996 ( -16.269 0.665 0.000) 16.283 17.385 ( -6.306 4.369 0.000) 7.672 17.666 ( 8.629 2.872 0.000) 9.094 17.680 ( -7.733 4.203 0.000) 8.801 17.802 ( 5.342 -4.071 0.000) 6.716 20.953 ( 24.340 6.459 0.000) 25.182 21.171 ( 39.432 -1.056 0.000) 39.446 21.373 ( 8.003 -1.638 0.000) 8.169 21.599 ( 23.605 -2.526 0.000) 23.740 22.079 ( 35.342 2.530 0.000) 35.433 23.126 ( 1.583 0.844 0.000) 1.794 ======================= Grid point 16 (10/147) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 28.175 -15.003 0.000) 31.920 2.829 ( 25.234 -4.353 0.000) 25.606 3.970 ( 15.281 0.689 0.000) 15.297 4.019 ( 11.848 -2.223 0.000) 12.054 4.284 ( 19.990 -8.161 0.000) 21.592 4.310 ( 14.476 -11.327 0.000) 18.381 4.465 ( 12.123 2.351 0.000) 12.349 4.504 ( 22.716 3.804 0.000) 23.032 4.797 ( -3.312 -0.491 0.000) 3.348 5.232 ( 2.512 -3.171 0.000) 4.045 5.286 ( 0.904 -3.000 0.000) 3.133 6.216 ( 3.042 22.741 0.000) 22.944 6.834 ( 2.432 -18.275 0.000) 18.436 7.053 ( 13.129 0.700 0.000) 13.148 7.594 ( 18.774 25.090 0.000) 31.336 7.831 ( 23.574 4.165 0.000) 23.939 7.967 ( 27.662 -2.973 0.000) 27.821 8.147 ( 16.233 -10.248 0.000) 19.197 8.630 ( 10.980 3.220 0.000) 11.443 8.908 ( 1.305 0.151 0.000) 1.314 8.974 ( -0.450 -3.519 0.000) 3.547 9.169 ( 20.870 6.968 0.000) 22.002 9.416 ( 9.646 -2.500 0.000) 9.965 9.568 ( 20.487 -6.936 0.000) 21.629 10.211 ( 2.287 7.188 0.000) 7.543 10.594 ( -10.026 1.883 0.000) 10.201 11.382 ( 21.105 -11.911 0.000) 24.235 11.592 ( 0.911 -11.924 0.000) 11.958 12.082 ( -17.248 10.862 0.000) 20.383 12.494 ( -10.861 -9.308 0.000) 14.303 13.219 ( -3.020 0.958 0.000) 3.168 13.905 ( -16.162 -8.817 0.000) 18.411 14.201 ( -1.091 2.628 0.000) 2.846 14.282 ( -14.517 8.895 0.000) 17.025 14.446 ( -22.596 -2.728 0.000) 22.760 15.068 ( -9.945 3.134 0.000) 10.427 15.647 ( -17.959 1.556 0.000) 18.026 15.658 ( -19.863 -2.449 0.000) 20.014 17.292 ( -1.881 1.293 0.000) 2.282 17.542 ( -2.695 5.484 0.000) 6.111 17.788 ( 6.045 3.553 0.000) 7.012 17.877 ( 1.089 -1.644 0.000) 1.971 21.253 ( 13.563 5.832 0.000) 14.764 21.494 ( 5.075 2.249 0.000) 5.551 21.869 ( 32.173 -1.911 0.000) 32.230 22.114 ( 24.645 -6.222 0.000) 25.418 22.654 ( 26.110 3.863 0.000) 26.394 23.158 ( 1.819 -0.265 0.000) 1.838 ======================= Grid point 17 (11/147) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( 21.521 -6.162 0.000) 22.386 3.273 ( 18.185 -3.173 0.000) 18.460 4.216 ( 10.552 1.208 0.000) 10.621 4.254 ( 9.800 -3.877 0.000) 10.539 4.535 ( 5.780 -1.784 0.000) 6.049 4.597 ( 8.436 -5.858 0.000) 10.271 4.722 ( -1.714 -2.510 0.000) 3.039 4.792 ( 12.994 -8.525 0.000) 15.541 4.808 ( 11.177 5.704 0.000) 12.548 5.255 ( 1.548 0.202 0.000) 1.561 5.513 ( 11.477 -21.176 0.000) 24.086 6.081 ( 0.276 22.395 0.000) 22.397 6.970 ( -0.778 -15.173 0.000) 15.193 7.265 ( 8.625 0.425 0.000) 8.636 7.694 ( 12.482 29.676 0.000) 32.194 7.984 ( 0.251 4.656 0.000) 4.663 8.304 ( 3.826 -1.990 0.000) 4.313 8.555 ( 19.653 0.301 0.000) 19.656 8.742 ( 3.407 1.912 0.000) 3.907 8.970 ( 9.736 -0.436 0.000) 9.746 9.195 ( 11.070 -12.519 0.000) 16.712 9.436 ( 11.654 -2.451 0.000) 11.909 9.652 ( 14.122 4.478 0.000) 14.815 10.031 ( 20.945 -2.659 0.000) 21.113 10.203 ( 1.936 7.697 0.000) 7.937 10.509 ( -0.662 -1.980 0.000) 2.088 11.714 ( -6.403 10.370 0.000) 12.188 11.816 ( 13.474 -12.369 0.000) 18.291 11.881 ( 13.841 -13.101 0.000) 19.059 12.421 ( -3.108 -6.610 0.000) 7.304 13.222 ( 1.778 -0.375 0.000) 1.817 13.652 ( -17.245 -8.931 0.000) 19.421 13.879 ( -23.693 6.239 0.000) 24.501 13.909 ( -15.986 12.398 0.000) 20.231 14.254 ( -1.793 -1.475 0.000) 2.322 14.925 ( -3.533 2.341 0.000) 4.238 15.281 ( -19.389 -1.545 0.000) 19.450 15.327 ( -14.389 0.146 0.000) 14.390 17.277 ( 0.177 -0.530 0.000) 0.559 17.478 ( -0.672 4.565 0.000) 4.614 17.853 ( 3.197 2.622 0.000) 4.134 17.890 ( -0.007 -0.222 0.000) 0.222 21.418 ( 7.276 2.877 0.000) 7.825 21.546 ( 3.167 4.175 0.000) 5.240 22.414 ( 23.043 -2.688 0.000) 23.199 22.580 ( 18.917 -6.113 0.000) 19.881 22.994 ( 12.421 4.156 0.000) 13.098 23.185 ( 0.007 -1.091 0.000) 1.091 ======================= Grid point 18 (12/147) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.225 ( 11.949 2.998 0.000) 12.319 3.556 ( 9.766 -0.115 0.000) 9.767 4.340 ( 3.051 0.628 0.000) 3.115 4.430 ( 4.950 -4.907 0.000) 6.970 4.583 ( -1.502 -0.378 0.000) 1.549 4.694 ( -0.330 -1.396 0.000) 1.434 4.704 ( 1.141 -0.296 0.000) 1.179 4.897 ( 3.609 4.800 0.000) 6.006 5.100 ( 8.170 -14.567 0.000) 16.701 5.312 ( 2.478 -2.307 0.000) 3.386 5.904 ( -2.288 21.751 0.000) 21.871 5.926 ( 10.436 -29.365 0.000) 31.164 7.040 ( -1.671 -11.777 0.000) 11.895 7.352 ( 0.930 1.099 0.000) 1.439 7.598 ( 0.718 35.536 0.000) 35.543 7.937 ( -0.697 1.889 0.000) 2.013 8.252 ( -5.883 -3.911 0.000) 7.064 8.759 ( -0.197 0.370 0.000) 0.419 8.826 ( 8.745 3.022 0.000) 9.252 9.179 ( 7.053 -1.714 0.000) 7.258 9.455 ( 4.734 -14.248 0.000) 15.014 9.705 ( 14.025 -1.199 0.000) 14.076 9.792 ( 2.329 3.041 0.000) 3.830 10.161 ( -0.886 7.139 0.000) 7.194 10.326 ( 4.848 -4.300 0.000) 6.480 10.522 ( 2.528 3.056 0.000) 3.966 11.519 ( -6.411 4.798 0.000) 8.007 12.227 ( 8.824 -13.330 0.000) 15.987 12.272 ( 24.552 -10.091 0.000) 26.544 12.483 ( 7.033 -1.444 0.000) 7.180 13.042 ( -25.234 -2.787 0.000) 25.388 13.419 ( -12.084 -7.922 0.000) 14.450 13.520 ( -14.622 11.857 0.000) 18.826 13.616 ( 6.705 11.589 0.000) 13.389 14.244 ( -0.154 -0.398 0.000) 0.426 14.879 ( 0.145 2.383 0.000) 2.387 15.005 ( -8.872 -1.460 0.000) 8.991 15.134 ( -4.734 0.566 0.000) 4.767 17.292 ( 0.728 -0.744 0.000) 1.041 17.434 ( -1.693 2.254 0.000) 2.819 17.870 ( -0.189 0.705 0.000) 0.730 17.887 ( -0.143 0.281 0.000) 0.315 21.490 ( 1.621 0.843 0.000) 1.827 21.565 ( 2.279 4.766 0.000) 5.283 22.775 ( 12.099 -3.435 0.000) 12.577 22.913 ( 11.708 -4.808 0.000) 12.657 23.071 ( -1.052 3.821 0.000) 3.963 23.156 ( -4.030 -0.735 0.000) 4.096 ======================= Grid point 19 (13/147) ======================= q-point: (-0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.313 ( 2.389 9.351 0.000) 9.651 3.625 ( -1.112 4.837 0.000) 4.964 4.331 ( -3.629 -0.792 0.000) 3.715 4.494 ( -2.503 -4.521 0.000) 5.168 4.536 ( -3.994 -2.550 0.000) 4.738 4.640 ( -4.504 2.121 0.000) 4.979 4.732 ( 1.924 1.658 0.000) 2.540 4.909 ( 0.846 2.282 0.000) 2.434 5.310 ( 1.949 -17.109 0.000) 17.219 5.332 ( -2.632 -1.720 0.000) 3.144 5.663 ( -6.908 21.524 0.000) 22.605 6.277 ( 3.506 -26.777 0.000) 27.006 7.092 ( -0.580 -8.792 0.000) 8.811 7.194 ( -15.567 27.283 0.000) 31.412 7.314 ( -4.751 0.913 0.000) 4.838 7.937 ( 0.740 2.120 0.000) 2.246 8.232 ( 0.348 -5.921 0.000) 5.931 8.740 ( -2.077 -0.864 0.000) 2.249 8.821 ( -6.772 3.189 0.000) 7.485 9.195 ( -6.480 -0.579 0.000) 6.505 9.558 ( -4.476 -11.691 0.000) 12.518 9.671 ( -10.851 3.445 0.000) 11.385 9.922 ( 6.198 3.839 0.000) 7.291 10.062 ( -4.991 4.387 0.000) 6.645 10.267 ( -11.533 -5.589 0.000) 12.816 10.577 ( 4.562 5.203 0.000) 6.920 11.375 ( -7.905 -4.457 0.000) 9.075 12.424 ( 6.536 -4.861 0.000) 8.145 12.470 ( -18.047 3.471 0.000) 18.378 12.616 ( 2.938 7.635 0.000) 8.181 12.966 ( 24.699 -13.939 0.000) 28.361 13.263 ( -3.752 -0.990 0.000) 3.880 13.273 ( -5.617 -3.319 0.000) 6.524 13.779 ( 16.017 12.876 0.000) 20.551 14.256 ( 1.454 0.081 0.000) 1.456 14.887 ( 2.943 3.641 0.000) 4.681 15.000 ( 6.721 -1.848 0.000) 6.971 15.160 ( 8.695 2.181 0.000) 8.964 17.307 ( 0.336 0.093 0.000) 0.349 17.374 ( -4.198 -1.457 0.000) 4.443 17.832 ( -4.271 -1.791 0.000) 4.631 17.884 ( 0.041 0.118 0.000) 0.125 21.472 ( -3.267 0.012 0.000) 3.267 21.557 ( 0.341 4.344 0.000) 4.357 22.871 ( -9.047 1.337 0.000) 9.145 22.952 ( -4.623 -2.413 0.000) 5.215 23.004 ( -8.920 1.038 0.000) 8.980 23.117 ( 3.312 -3.592 0.000) 4.886 ======================= Grid point 20 (14/147) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.198 ( -4.921 14.718 0.000) 15.518 3.448 ( -11.554 9.142 0.000) 14.733 4.216 ( -9.047 -0.421 0.000) 9.056 4.383 ( -10.208 1.092 0.000) 10.266 4.464 ( -5.830 -3.002 0.000) 6.558 4.502 ( -9.907 -1.900 0.000) 10.088 4.760 ( 2.121 0.686 0.000) 2.230 4.889 ( -2.443 2.433 0.000) 3.448 5.252 ( -5.145 -0.464 0.000) 5.166 5.289 ( -13.834 18.354 0.000) 22.984 5.462 ( -1.791 -16.401 0.000) 16.499 6.300 ( -12.060 18.748 0.000) 22.292 6.762 ( -16.757 -18.237 0.000) 24.767 7.137 ( -0.627 -5.604 0.000) 5.639 7.213 ( -7.559 -3.048 0.000) 8.151 7.892 ( -4.679 -0.332 0.000) 4.691 8.309 ( -0.336 -4.250 0.000) 4.264 8.557 ( -16.283 2.336 0.000) 16.449 8.681 ( -5.683 -1.991 0.000) 6.021 8.979 ( -13.567 -0.057 0.000) 13.567 9.369 ( -18.861 0.523 0.000) 18.868 9.425 ( -15.150 -2.680 0.000) 15.386 9.855 ( -5.026 12.052 0.000) 13.058 9.935 ( -7.835 -5.604 0.000) 9.633 10.031 ( -16.067 -2.771 0.000) 16.304 10.588 ( -0.067 2.845 0.000) 2.846 11.365 ( 1.994 -11.658 0.000) 11.828 12.167 ( -6.757 9.085 0.000) 11.322 12.398 ( -11.080 18.861 0.000) 21.875 12.575 ( 8.659 3.084 0.000) 9.192 13.192 ( -1.613 -5.958 0.000) 6.172 13.443 ( 11.960 -16.319 0.000) 20.232 13.628 ( 27.802 -6.450 0.000) 28.540 14.006 ( 17.636 12.543 0.000) 21.642 14.314 ( 6.418 1.877 0.000) 6.687 14.936 ( 5.593 5.417 0.000) 7.786 15.235 ( 14.528 -3.078 0.000) 14.851 15.421 ( 19.995 4.602 0.000) 20.518 17.299 ( -0.883 0.836 0.000) 1.216 17.303 ( -5.942 -6.613 0.000) 8.890 17.735 ( -8.413 -5.083 0.000) 9.829 17.891 ( 0.784 -0.188 0.000) 0.806 21.352 ( -9.867 -0.615 0.000) 9.886 21.520 ( -1.313 3.052 0.000) 3.322 22.514 ( -23.290 3.569 0.000) 23.562 22.733 ( -17.130 3.341 0.000) 17.453 22.827 ( -15.000 -6.480 0.000) 16.339 23.160 ( -1.878 -3.358 0.000) 3.848 ======================= Grid point 21 (15/147) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( -9.949 21.529 0.000) 23.717 3.073 ( -19.367 12.120 0.000) 22.846 4.000 ( -12.625 1.579 0.000) 12.723 4.122 ( -14.306 3.298 0.000) 14.681 4.291 ( -13.890 -3.956 0.000) 14.442 4.355 ( -7.802 -2.919 0.000) 8.330 4.703 ( -14.914 10.045 0.000) 17.982 4.799 ( -0.268 2.714 0.000) 2.727 4.819 ( -16.762 17.083 0.000) 23.933 5.190 ( -2.426 -2.481 0.000) 3.470 5.557 ( -3.362 -21.443 0.000) 21.705 5.727 ( -21.045 26.743 0.000) 34.030 6.699 ( -15.711 -31.451 0.000) 35.157 7.042 ( -12.756 -2.414 0.000) 12.982 7.130 ( -3.170 -1.317 0.000) 3.433 7.725 ( -16.949 -2.848 0.000) 17.187 8.029 ( -25.753 1.240 0.000) 25.783 8.328 ( -7.662 4.092 0.000) 8.686 8.534 ( -11.697 -2.288 0.000) 11.918 8.865 ( 0.488 -3.488 0.000) 3.522 8.934 ( -27.674 -3.195 0.000) 27.858 9.082 ( -17.016 0.589 0.000) 17.026 9.638 ( -13.442 3.748 0.000) 13.955 9.741 ( -7.533 9.831 0.000) 12.385 9.865 ( -6.335 -13.663 0.000) 15.060 10.589 ( 3.004 1.509 0.000) 3.362 11.553 ( 4.945 -9.783 0.000) 10.961 12.071 ( 5.436 16.257 0.000) 17.141 12.084 ( -2.081 18.613 0.000) 18.729 12.739 ( 13.187 6.741 0.000) 14.810 13.241 ( 5.021 2.122 0.000) 5.451 13.844 ( 15.281 -18.755 0.000) 24.192 14.061 ( 12.723 -5.588 0.000) 13.897 14.236 ( 13.237 8.899 0.000) 15.950 14.557 ( 21.390 4.251 0.000) 21.808 15.032 ( 9.509 5.542 0.000) 11.006 15.565 ( 16.903 -3.687 0.000) 17.301 15.785 ( 20.445 5.662 0.000) 21.214 17.262 ( -2.619 -0.215 0.000) 2.628 17.267 ( -4.262 -12.318 0.000) 13.034 17.593 ( -11.570 -9.229 0.000) 14.800 17.918 ( 1.966 0.386 0.000) 2.004 21.096 ( -18.358 -2.817 0.000) 18.573 21.460 ( -3.485 1.482 0.000) 3.787 21.956 ( -32.283 3.472 0.000) 32.470 22.313 ( -23.157 5.357 0.000) 23.769 22.462 ( -28.648 -8.363 0.000) 29.844 23.109 ( -5.754 -4.360 0.000) 7.219 ======================= Grid point 22 (16/147) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( -13.488 29.612 0.000) 32.539 2.541 ( -25.973 15.009 0.000) 29.998 3.739 ( -11.960 3.562 0.000) 12.479 3.837 ( -12.725 2.080 0.000) 12.894 4.043 ( -22.125 3.926 0.000) 22.470 4.101 ( -26.127 17.651 0.000) 31.531 4.193 ( -12.322 0.957 0.000) 12.359 4.339 ( -13.801 14.524 0.000) 20.035 4.842 ( 1.421 -1.172 0.000) 1.842 5.161 ( -4.218 -3.586 0.000) 5.537 5.305 ( -9.956 6.016 0.000) 11.632 5.639 ( -4.927 -22.350 0.000) 22.887 6.553 ( -19.663 -22.529 0.000) 29.903 6.748 ( -22.455 -7.629 0.000) 23.715 7.032 ( -5.480 4.953 0.000) 7.387 7.292 ( -27.195 1.370 0.000) 27.230 7.474 ( -25.086 5.752 0.000) 25.737 8.122 ( -13.699 9.360 0.000) 16.591 8.257 ( -19.492 -1.869 0.000) 19.582 8.400 ( -30.477 -8.480 0.000) 31.635 8.783 ( -3.233 -6.989 0.000) 7.701 9.087 ( 8.890 -2.965 0.000) 9.371 9.321 ( -13.857 3.236 0.000) 14.230 9.612 ( -0.830 11.057 0.000) 11.088 9.910 ( -0.125 -16.179 0.000) 16.180 10.626 ( -2.065 -0.335 0.000) 2.092 11.584 ( 6.895 16.118 0.000) 17.531 12.105 ( 12.112 22.484 0.000) 25.539 12.225 ( 18.056 -5.844 0.000) 18.979 13.020 ( 22.938 8.917 0.000) 24.610 13.340 ( 7.231 3.020 0.000) 7.836 14.232 ( 5.237 1.726 0.000) 5.514 14.262 ( 14.633 -15.938 0.000) 21.637 14.432 ( 12.284 6.401 0.000) 13.852 14.888 ( 14.130 3.949 0.000) 14.671 15.277 ( 19.459 2.208 0.000) 19.583 15.910 ( 15.594 -4.137 0.000) 16.133 16.075 ( 13.589 5.545 0.000) 14.677 17.211 ( -4.233 -4.624 0.000) 6.269 17.345 ( 1.333 -16.558 0.000) 16.611 17.444 ( -11.128 -12.364 0.000) 16.634 17.953 ( 2.751 3.151 0.000) 4.183 20.689 ( -28.199 -7.277 0.000) 29.123 21.245 ( -39.259 3.309 0.000) 39.398 21.344 ( -9.789 -0.845 0.000) 9.826 21.809 ( -22.860 7.688 0.000) 24.118 21.886 ( -37.294 -9.640 0.000) 38.519 23.028 ( -6.224 -6.165 0.000) 8.760 ======================= Grid point 23 (17/147) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -31.009 18.219 0.000) 35.965 1.983 ( -17.843 34.399 0.000) 38.751 3.029 ( -47.616 33.320 0.000) 58.116 3.519 ( -7.435 4.470 0.000) 8.676 3.669 ( -5.339 -0.015 0.000) 5.339 3.861 ( -11.928 12.753 0.000) 17.461 3.905 ( -6.182 -1.407 0.000) 6.340 4.140 ( -6.126 0.135 0.000) 6.128 4.873 ( 0.871 -1.472 0.000) 1.710 5.054 ( -8.370 -3.189 0.000) 8.957 5.182 ( -5.122 -2.938 0.000) 5.904 5.690 ( -6.218 -21.125 0.000) 22.021 6.271 ( -24.552 -11.557 0.000) 27.136 6.370 ( -22.522 -20.375 0.000) 30.371 6.711 ( -27.750 4.897 0.000) 28.179 6.862 ( -5.279 11.958 0.000) 13.071 7.110 ( -8.576 11.412 0.000) 14.275 7.711 ( -17.795 11.130 0.000) 20.989 7.757 ( -29.357 2.376 0.000) 29.453 8.049 ( -17.761 -19.851 0.000) 26.637 8.904 ( 5.610 -9.955 0.000) 11.427 9.098 ( -5.833 7.389 0.000) 9.413 9.296 ( 10.671 -2.104 0.000) 10.876 9.507 ( -3.328 7.574 0.000) 8.273 10.082 ( 5.361 -15.167 0.000) 16.087 10.483 ( -8.965 4.514 0.000) 10.037 11.692 ( 14.126 16.652 0.000) 21.837 12.183 ( 14.256 26.092 0.000) 29.733 12.736 ( 27.336 -14.018 0.000) 30.721 13.471 ( 30.228 9.831 0.000) 31.787 13.476 ( 7.741 -1.178 0.000) 7.830 14.294 ( 4.198 3.555 0.000) 5.501 14.519 ( -0.559 4.675 0.000) 4.709 14.615 ( 12.367 -9.719 0.000) 15.729 15.102 ( 10.613 -0.830 0.000) 10.645 15.665 ( 21.143 2.046 0.000) 21.241 16.185 ( 9.353 -2.995 0.000) 9.821 16.206 ( 2.702 2.855 0.000) 3.931 17.174 ( -5.698 -10.942 0.000) 12.337 17.308 ( -9.052 -11.297 0.000) 14.477 17.628 ( 13.400 -15.625 0.000) 20.584 17.976 ( 4.698 8.199 0.000) 9.449 20.135 ( -36.444 -11.560 0.000) 38.233 20.432 ( -42.604 3.442 0.000) 42.743 21.020 ( -27.338 -7.625 0.000) 28.381 21.253 ( -34.171 -10.040 0.000) 35.615 21.435 ( -8.751 10.877 0.000) 13.961 22.973 ( -4.658 -7.599 0.000) 8.913 ======================= Grid point 24 (18/147) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -30.587 23.674 0.000) 38.679 1.275 ( -39.474 20.177 0.000) 44.332 1.892 ( -30.500 59.162 0.000) 66.561 3.402 ( -2.036 3.574 0.000) 4.114 3.611 ( -4.952 11.863 0.000) 12.855 3.628 ( 0.097 0.424 0.000) 0.435 3.855 ( -0.695 -2.411 0.000) 2.509 4.054 ( -3.326 -1.243 0.000) 3.551 4.897 ( 0.500 -1.499 0.000) 1.580 4.918 ( -8.776 -5.503 0.000) 10.359 5.094 ( -4.427 1.203 0.000) 4.587 5.717 ( -5.304 -18.032 0.000) 18.796 5.933 ( -18.950 -18.120 0.000) 26.219 6.174 ( -12.235 -15.527 0.000) 19.768 6.268 ( -13.279 5.016 0.000) 14.195 6.705 ( -0.056 13.358 0.000) 13.358 6.921 ( -1.429 15.377 0.000) 15.444 7.212 ( -23.310 4.912 0.000) 23.822 7.357 ( -11.548 8.409 0.000) 14.285 7.977 ( -7.721 -25.663 0.000) 26.799 8.965 ( -1.449 11.833 0.000) 11.921 9.066 ( 3.996 -7.761 0.000) 8.730 9.385 ( -4.052 4.695 0.000) 6.202 9.500 ( 7.934 -2.474 0.000) 8.311 10.298 ( 6.125 -11.830 0.000) 13.321 10.300 ( -4.811 7.140 0.000) 8.609 11.799 ( 7.103 11.218 0.000) 13.278 12.283 ( 19.101 28.786 0.000) 34.547 13.391 ( 25.028 -16.187 0.000) 29.807 13.629 ( 4.285 -5.296 0.000) 6.812 13.982 ( 29.245 7.796 0.000) 30.266 14.298 ( -26.065 -9.869 0.000) 27.871 14.362 ( 4.046 1.863 0.000) 4.454 14.877 ( 11.146 -2.974 0.000) 11.535 15.285 ( 6.328 -2.868 0.000) 6.948 16.013 ( 14.485 -1.021 0.000) 14.521 16.065 ( -19.383 -2.986 0.000) 19.612 16.299 ( 2.824 1.860 0.000) 3.381 17.149 ( -4.425 -9.340 0.000) 10.335 17.284 ( 5.918 4.138 0.000) 7.222 18.077 ( 21.543 -12.993 0.000) 25.158 18.086 ( 14.614 6.992 0.000) 16.200 19.514 ( -35.099 -10.356 0.000) 36.595 19.614 ( -38.226 4.770 0.000) 38.522 20.486 ( -41.358 -23.934 0.000) 47.785 20.813 ( -18.082 -9.634 0.000) 20.489 21.238 ( -3.963 12.978 0.000) 13.570 22.950 ( -4.247 -7.585 0.000) 8.693 ======================= Grid point 25 (19/147) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.337 ( -0.000 22.925 0.000) 22.925 0.512 ( -0.000 35.047 0.000) 35.047 1.128 ( -0.000 77.323 0.000) 77.323 3.367 ( -0.000 2.212 0.000) 2.212 3.490 ( -0.000 8.851 0.000) 8.851 3.628 ( -0.000 0.943 0.000) 0.943 3.880 ( 0.000 -2.819 0.000) 2.819 4.031 ( 0.000 -1.060 0.000) 1.060 4.853 ( 0.000 -5.014 0.000) 5.014 4.912 ( 0.000 -0.999 0.000) 0.999 5.030 ( -0.000 3.286 0.000) 3.286 5.775 ( 0.000 -13.750 0.000) 13.750 5.859 ( 0.000 -12.733 0.000) 12.733 6.144 ( 0.000 -2.056 0.000) 2.056 6.152 ( 0.000 -11.604 0.000) 11.604 6.663 ( -0.000 10.254 0.000) 10.254 6.832 ( -0.000 14.138 0.000) 14.138 6.896 ( -0.000 4.686 0.000) 4.686 7.143 ( -0.000 8.449 0.000) 8.449 8.094 ( 0.000 -24.515 0.000) 24.515 8.856 ( -0.000 14.955 0.000) 14.955 9.156 ( 0.000 -4.882 0.000) 4.882 9.315 ( -0.000 2.730 0.000) 2.730 9.598 ( 0.000 -1.991 0.000) 1.991 10.207 ( -0.000 5.508 0.000) 5.508 10.448 ( 0.000 -7.516 0.000) 7.516 11.800 ( -0.000 7.331 0.000) 7.331 12.724 ( -0.000 9.300 0.000) 9.300 13.362 ( 0.000 -0.173 0.000) 0.173 13.741 ( 0.000 -11.351 0.000) 11.351 13.803 ( -0.000 0.773 0.000) 0.773 14.311 ( -0.000 2.214 0.000) 2.214 14.412 ( 0.000 -0.080 0.000) 0.080 15.091 ( 0.000 -2.143 0.000) 2.143 15.368 ( 0.000 -2.654 0.000) 2.654 15.706 ( 0.000 -0.078 0.000) 0.078 16.174 ( 0.000 -4.179 0.000) 4.179 16.304 ( -0.000 2.732 0.000) 2.732 17.155 ( 0.000 -5.199 0.000) 5.199 17.543 ( 0.000 -0.055 0.000) 0.055 18.316 ( -0.000 0.015 0.000) 0.015 18.458 ( 0.000 -3.074 0.000) 3.074 19.092 ( -0.000 7.356 0.000) 7.356 19.098 ( 0.000 -0.022 0.000) 0.022 19.820 ( 0.000 -14.152 0.000) 14.152 20.707 ( 0.000 -7.474 0.000) 7.474 21.096 ( -0.000 13.545 0.000) 13.545 22.912 ( 0.000 -2.398 0.000) 2.398 ======================= Grid point 28 (20/147) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 33.311 -0.000 0.000) 33.311 2.798 ( 26.192 -0.000 0.000) 26.192 3.982 ( 16.381 -0.000 0.000) 16.381 4.003 ( 11.509 -0.000 0.000) 11.509 4.217 ( 14.395 -0.000 0.000) 14.395 4.220 ( 20.786 -0.000 0.000) 20.786 4.485 ( 11.630 -0.000 0.000) 11.630 4.539 ( 23.590 -0.000 0.000) 23.590 4.793 ( -3.522 0.000 0.000) 3.522 5.192 ( 1.051 -0.000 0.000) 1.051 5.280 ( -1.041 0.000 0.000) 1.041 6.518 ( 5.826 -0.000 0.000) 5.826 6.563 ( -0.360 0.000 0.000) 0.360 7.057 ( 12.446 -0.000 0.000) 12.446 7.840 ( 19.819 -0.000 0.000) 19.819 7.886 ( 20.376 -0.000 0.000) 20.376 7.954 ( 18.448 -0.000 0.000) 18.448 7.981 ( 32.946 -0.000 0.000) 32.946 8.657 ( 10.486 -0.000 0.000) 10.486 8.910 ( 0.282 -0.000 0.000) 0.282 8.946 ( -3.417 0.000 0.000) 3.417 9.210 ( 11.188 -0.000 0.000) 11.188 9.453 ( 29.422 -0.000 0.000) 29.422 9.472 ( 11.258 -0.000 0.000) 11.258 10.265 ( 1.558 -0.000 0.000) 1.558 10.613 ( -13.296 0.000 0.000) 13.296 11.287 ( 24.150 -0.000 0.000) 24.150 11.501 ( 1.814 -0.000 0.000) 1.814 12.190 ( -19.601 0.000 0.000) 19.601 12.400 ( -8.343 0.000 0.000) 8.343 13.229 ( -3.392 0.000 0.000) 3.392 13.836 ( -15.123 0.000 0.000) 15.123 14.221 ( 1.362 -0.000 0.000) 1.362 14.348 ( -14.329 0.000 0.000) 14.329 14.425 ( -23.862 0.000 0.000) 23.862 15.093 ( -10.455 0.000 0.000) 10.455 15.639 ( -19.640 0.000 0.000) 19.640 15.659 ( -18.321 0.000 0.000) 18.321 17.302 ( -3.136 0.000 0.000) 3.136 17.582 ( -3.708 0.000 0.000) 3.708 17.813 ( 5.324 -0.000 0.000) 5.324 17.863 ( 2.126 -0.000 0.000) 2.126 21.302 ( 11.374 -0.000 0.000) 11.374 21.512 ( 6.434 -0.000 0.000) 6.434 21.854 ( 32.187 -0.000 0.000) 32.187 22.064 ( 25.020 -0.000 0.000) 25.020 22.682 ( 25.708 -0.000 0.000) 25.708 23.154 ( 1.217 -0.000 0.000) 1.217 ======================= Grid point 29 (21/147) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( 28.786 -2.029 0.000) 28.857 3.243 ( 19.952 -0.963 0.000) 19.975 4.215 ( 9.655 -1.387 0.000) 9.754 4.251 ( 11.751 2.952 0.000) 12.116 4.452 ( 7.698 -6.333 0.000) 9.968 4.501 ( 7.919 -4.516 0.000) 9.117 4.707 ( -0.302 0.940 0.000) 0.988 4.738 ( 8.849 -1.700 0.000) 9.011 4.928 ( 16.759 7.746 0.000) 18.462 5.253 ( 2.357 -2.914 0.000) 3.748 5.276 ( 2.353 -8.127 0.000) 8.461 6.403 ( -0.397 21.634 0.000) 21.638 6.712 ( -0.371 -19.681 0.000) 19.684 7.265 ( 8.634 -0.120 0.000) 8.635 8.008 ( 6.921 9.879 0.000) 12.062 8.048 ( 2.921 4.396 0.000) 5.278 8.302 ( 8.078 2.317 0.000) 8.404 8.545 ( 23.432 -1.483 0.000) 23.479 8.763 ( 2.086 0.811 0.000) 2.238 8.964 ( 6.277 -0.458 0.000) 6.294 9.036 ( 8.877 -7.319 0.000) 11.505 9.387 ( 9.924 -2.377 0.000) 10.205 9.745 ( 15.834 5.255 0.000) 16.683 9.986 ( 22.271 -2.683 0.000) 22.432 10.280 ( 0.631 2.708 0.000) 2.781 10.490 ( -0.694 -0.647 0.000) 0.949 11.680 ( 15.113 -5.271 0.000) 16.006 11.722 ( 18.288 -4.721 0.000) 18.888 11.857 ( -13.067 4.867 0.000) 13.944 12.338 ( 0.188 -3.811 0.000) 3.816 13.220 ( 0.017 0.020 0.000) 0.026 13.563 ( -14.724 -3.140 0.000) 15.055 13.935 ( -23.297 1.724 0.000) 23.361 14.035 ( -16.562 4.532 0.000) 17.171 14.242 ( 0.297 -0.259 0.000) 0.395 14.953 ( -3.955 1.153 0.000) 4.120 15.258 ( -19.256 -0.971 0.000) 19.280 15.335 ( -14.405 0.440 0.000) 14.412 17.271 ( -0.329 -0.174 0.000) 0.372 17.524 ( -2.129 1.686 0.000) 2.716 17.878 ( 1.943 0.879 0.000) 2.133 17.887 ( 0.555 -0.127 0.000) 0.569 21.451 ( 5.562 1.289 0.000) 5.710 21.601 ( 3.957 2.529 0.000) 4.696 22.387 ( 23.002 -1.003 0.000) 23.024 22.509 ( 19.789 -2.931 0.000) 20.005 23.036 ( 11.762 1.487 0.000) 11.856 23.168 ( -0.283 -0.775 0.000) 0.825 ======================= Grid point 30 (22/147) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.290 ( 19.137 4.917 0.000) 19.758 3.562 ( 12.944 0.637 0.000) 12.959 4.366 ( 2.521 3.064 0.000) 3.968 4.373 ( 4.945 -2.771 0.000) 5.669 4.566 ( -1.481 -2.304 0.000) 2.739 4.611 ( -0.156 -7.500 0.000) 7.502 4.666 ( 0.555 -4.451 0.000) 4.485 4.961 ( 8.513 -4.431 0.000) 9.597 5.031 ( 4.318 12.293 0.000) 13.029 5.283 ( 1.339 -1.453 0.000) 1.976 5.547 ( 8.686 -22.460 0.000) 24.081 6.221 ( -2.295 21.754 0.000) 21.874 6.820 ( -2.206 -17.888 0.000) 18.023 7.362 ( 0.710 0.233 0.000) 0.748 7.948 ( -3.965 3.879 0.000) 5.547 8.088 ( 7.529 21.035 0.000) 22.342 8.209 ( -10.536 3.225 0.000) 11.018 8.762 ( -1.149 0.104 0.000) 1.153 8.865 ( 9.575 1.682 0.000) 9.722 9.126 ( 4.360 -7.852 0.000) 8.982 9.252 ( 4.652 -10.133 0.000) 11.150 9.650 ( 14.328 -3.635 0.000) 14.782 9.905 ( 4.899 9.308 0.000) 10.518 10.237 ( -0.239 -7.223 0.000) 7.227 10.245 ( -1.756 4.097 0.000) 4.458 10.574 ( 8.898 3.200 0.000) 9.456 11.578 ( -12.820 3.001 0.000) 13.166 12.063 ( 11.614 -8.455 0.000) 14.365 12.131 ( 25.662 -8.105 0.000) 26.912 12.462 ( 10.524 -1.171 0.000) 10.589 13.007 ( -24.236 -1.688 0.000) 24.295 13.339 ( -10.163 -3.287 0.000) 10.681 13.665 ( -17.191 7.394 0.000) 18.714 13.741 ( 7.037 5.518 0.000) 8.943 14.243 ( 0.099 0.195 0.000) 0.219 14.915 ( 0.967 2.129 0.000) 2.338 14.984 ( -8.725 -1.198 0.000) 8.807 15.144 ( -4.260 0.589 0.000) 4.300 17.283 ( 0.959 -0.537 0.000) 1.099 17.462 ( -3.547 1.492 0.000) 3.849 17.877 ( -1.728 0.223 0.000) 1.743 17.891 ( -0.011 0.217 0.000) 0.218 21.507 ( 1.305 1.206 0.000) 1.777 21.636 ( 2.431 4.319 0.000) 4.956 22.734 ( 11.945 -2.032 0.000) 12.117 22.846 ( 12.677 -3.954 0.000) 13.279 23.115 ( -1.786 2.139 0.000) 2.787 23.140 ( -3.854 -1.179 0.000) 4.031 ======================= Grid point 31 (23/147) ======================= q-point: ( 0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.481 ( 7.960 12.866 0.000) 15.129 3.705 ( 3.724 5.738 0.000) 6.841 4.317 ( -5.658 -0.934 0.000) 5.735 4.428 ( -2.135 -3.902 0.000) 4.448 4.512 ( -3.665 -0.433 0.000) 3.691 4.624 ( -3.428 -5.131 0.000) 6.170 4.722 ( 0.419 -4.023 0.000) 4.045 4.983 ( -0.614 8.179 0.000) 8.202 5.114 ( 2.631 -8.743 0.000) 9.130 5.299 ( -1.780 -2.172 0.000) 2.808 5.857 ( 4.159 -27.536 0.000) 27.848 5.984 ( -6.294 22.439 0.000) 23.305 6.902 ( -2.065 -16.645 0.000) 16.773 7.283 ( -7.998 -0.783 0.000) 8.037 7.671 ( -16.791 27.713 0.000) 32.403 8.002 ( 3.370 7.679 0.000) 8.386 8.140 ( -1.657 -4.171 0.000) 4.488 8.727 ( -2.843 -0.766 0.000) 2.944 8.873 ( -6.524 3.438 0.000) 7.374 9.169 ( -5.813 -4.518 0.000) 7.362 9.329 ( -6.367 -16.939 0.000) 18.096 9.752 ( -10.068 7.139 0.000) 12.343 9.952 ( 10.942 0.539 0.000) 10.955 10.140 ( -6.333 5.136 0.000) 8.153 10.181 ( -9.823 -6.110 0.000) 11.568 10.660 ( 2.729 5.869 0.000) 6.472 11.319 ( -13.130 -3.170 0.000) 13.507 12.324 ( 10.345 -7.764 0.000) 12.934 12.506 ( -14.648 1.794 0.000) 14.758 12.691 ( 10.993 3.118 0.000) 11.427 12.740 ( 16.442 -14.627 0.000) 22.006 13.264 ( 4.149 0.469 0.000) 4.176 13.306 ( -13.500 5.331 0.000) 14.514 13.933 ( 15.040 7.992 0.000) 17.032 14.257 ( 1.952 0.171 0.000) 1.959 14.953 ( 5.547 4.734 0.000) 7.292 14.971 ( 5.808 -1.906 0.000) 6.112 15.191 ( 10.290 1.875 0.000) 10.460 17.306 ( 0.904 -0.190 0.000) 0.923 17.359 ( -6.998 -0.684 0.000) 7.031 17.806 ( -6.251 -1.626 0.000) 6.459 17.887 ( -0.155 0.244 0.000) 0.289 21.482 ( -3.075 1.212 0.000) 3.306 21.631 ( 0.568 5.198 0.000) 5.229 22.854 ( -2.319 -2.564 0.000) 3.458 22.955 ( -12.487 1.609 0.000) 12.591 23.007 ( -6.130 -0.489 0.000) 6.150 23.057 ( 1.374 -4.109 0.000) 4.332 ======================= Grid point 32 (24/147) ======================= q-point: (-0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.435 ( -0.456 17.497 0.000) 17.503 3.602 ( -7.655 11.794 0.000) 14.061 4.195 ( -8.635 -2.572 0.000) 9.010 4.343 ( -9.777 -4.284 0.000) 10.674 4.432 ( -5.462 -1.250 0.000) 5.603 4.524 ( -8.889 1.710 0.000) 9.052 4.745 ( -0.498 -3.872 0.000) 3.904 4.911 ( -3.386 1.596 0.000) 3.743 5.196 ( -2.077 -12.427 0.000) 12.600 5.241 ( -4.702 -0.629 0.000) 4.744 5.638 ( -12.764 22.850 0.000) 26.173 6.093 ( -1.373 -29.168 0.000) 29.200 6.978 ( -3.389 -14.246 0.000) 14.644 6.978 ( -24.180 23.791 0.000) 33.922 7.192 ( -9.262 4.061 0.000) 10.113 7.925 ( -6.967 5.501 0.000) 8.877 8.220 ( 2.963 -7.293 0.000) 7.872 8.603 ( -16.877 3.610 0.000) 17.259 8.655 ( -5.871 -1.450 0.000) 6.047 8.973 ( -14.681 -0.811 0.000) 14.703 9.259 ( -15.133 -18.722 0.000) 24.073 9.423 ( -18.211 6.599 0.000) 19.369 9.925 ( -12.126 2.944 0.000) 12.478 9.949 ( -17.293 -4.437 0.000) 17.854 10.046 ( 1.542 9.803 0.000) 9.924 10.627 ( -1.641 2.521 0.000) 3.008 11.210 ( -1.404 -9.574 0.000) 9.676 12.269 ( -3.795 5.216 0.000) 6.451 12.567 ( 9.808 -0.105 0.000) 9.809 12.671 ( -4.932 13.811 0.000) 14.665 13.054 ( 6.091 -11.682 0.000) 13.175 13.246 ( 6.999 -9.935 0.000) 12.153 13.586 ( 24.498 -0.189 0.000) 24.499 14.156 ( 14.118 7.790 0.000) 16.125 14.339 ( 8.401 1.583 0.000) 8.549 15.053 ( 10.272 9.892 0.000) 14.260 15.189 ( 13.927 -3.026 0.000) 14.252 15.484 ( 21.139 3.938 0.000) 21.502 17.212 ( -10.419 -5.752 0.000) 11.901 17.309 ( -0.624 0.592 0.000) 0.860 17.661 ( -11.334 -4.814 0.000) 12.314 17.888 ( 0.417 -0.269 0.000) 0.496 21.358 ( -9.569 1.247 0.000) 9.650 21.584 ( -1.415 5.221 0.000) 5.410 22.561 ( -23.379 2.875 0.000) 23.555 22.738 ( -16.411 -5.583 0.000) 17.335 22.765 ( -16.581 1.147 0.000) 16.620 23.097 ( -2.903 -4.874 0.000) 5.673 ======================= Grid point 33 (25/147) ======================= q-point: (-0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.227 ( -6.743 20.309 0.000) 21.399 3.271 ( -16.179 14.964 0.000) 22.038 4.014 ( -11.089 0.222 0.000) 11.091 4.128 ( -14.736 -2.410 0.000) 14.932 4.284 ( -13.096 2.770 0.000) 13.386 4.322 ( -7.191 -1.685 0.000) 7.386 4.771 ( -0.098 -4.662 0.000) 4.663 4.790 ( -9.365 2.306 0.000) 9.645 5.098 ( -17.259 13.271 0.000) 21.772 5.161 ( -4.147 -1.386 0.000) 4.372 5.307 ( -5.374 -7.015 0.000) 8.837 6.164 ( -15.859 17.883 0.000) 23.902 6.260 ( -22.499 -14.115 0.000) 26.560 7.013 ( -5.185 -14.085 0.000) 15.009 7.019 ( -11.387 -0.836 0.000) 11.418 7.698 ( -15.547 -0.477 0.000) 15.555 8.039 ( -24.415 0.082 0.000) 24.415 8.386 ( -5.221 3.980 0.000) 6.565 8.512 ( -10.542 -0.850 0.000) 10.576 8.801 ( -0.872 -5.258 0.000) 5.330 8.953 ( -26.490 5.520 0.000) 27.059 9.009 ( -21.273 -11.898 0.000) 24.374 9.625 ( -19.105 -4.011 0.000) 19.521 9.709 ( -9.951 -6.644 0.000) 11.965 9.933 ( -1.949 14.856 0.000) 14.983 10.610 ( 1.712 0.901 0.000) 1.934 11.383 ( 9.344 -12.316 0.000) 15.460 12.271 ( 8.949 11.064 0.000) 14.230 12.380 ( -4.592 20.280 0.000) 20.793 12.820 ( 14.845 4.299 0.000) 15.455 13.255 ( 10.043 -0.858 0.000) 10.079 13.580 ( 15.336 -16.805 0.000) 22.750 13.987 ( 15.391 -3.839 0.000) 15.862 14.329 ( 8.383 4.134 0.000) 9.347 14.618 ( 22.011 4.064 0.000) 22.383 15.190 ( 13.623 15.406 0.000) 20.565 15.510 ( 16.362 -3.777 0.000) 16.793 15.869 ( 21.172 5.596 0.000) 21.900 17.078 ( -9.611 -13.472 0.000) 16.549 17.265 ( -3.733 0.547 0.000) 3.773 17.453 ( -15.655 -9.770 0.000) 18.453 17.913 ( 1.911 -0.900 0.000) 2.112 21.081 ( -19.058 0.586 0.000) 19.067 21.503 ( -3.742 4.052 0.000) 5.516 22.003 ( -32.525 3.020 0.000) 32.665 22.341 ( -30.071 -8.015 0.000) 31.121 22.370 ( -22.957 2.522 0.000) 23.095 23.030 ( -7.697 -6.240 0.000) 9.909 ======================= Grid point 34 (26/147) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( -22.389 17.841 0.000) 28.628 2.879 ( -14.471 21.135 0.000) 25.614 3.791 ( -10.267 3.372 0.000) 10.807 3.853 ( -13.565 0.112 0.000) 13.566 4.036 ( -11.190 0.205 0.000) 11.192 4.182 ( -8.514 -1.058 0.000) 8.579 4.438 ( -21.611 20.344 0.000) 29.680 4.596 ( -18.085 18.633 0.000) 25.967 4.809 ( 0.153 -3.531 0.000) 3.534 5.096 ( -5.345 -4.765 0.000) 7.161 5.333 ( -4.552 -18.735 0.000) 19.280 5.480 ( -21.978 19.572 0.000) 29.429 6.189 ( -15.424 -25.486 0.000) 29.790 6.697 ( -23.971 -0.942 0.000) 23.990 6.990 ( -6.272 -10.843 0.000) 12.526 7.312 ( -24.488 1.187 0.000) 24.516 7.552 ( -20.416 4.854 0.000) 20.985 8.232 ( -10.522 5.938 0.000) 12.081 8.237 ( -19.275 -0.201 0.000) 19.276 8.371 ( -29.276 4.087 0.000) 29.560 8.667 ( -11.041 -9.653 0.000) 14.666 9.015 ( 9.568 -7.000 0.000) 11.855 9.318 ( -14.545 -3.474 0.000) 14.954 9.678 ( -1.422 -14.713 0.000) 14.781 9.792 ( -2.167 13.646 0.000) 13.817 10.638 ( -0.009 1.131 0.000) 1.131 11.691 ( 16.220 -2.352 0.000) 16.390 12.270 ( 7.240 12.284 0.000) 14.259 12.407 ( 15.503 18.218 0.000) 23.921 13.138 ( 23.700 7.311 0.000) 24.802 13.410 ( 7.890 6.092 0.000) 9.968 14.023 ( 17.739 -16.118 0.000) 23.967 14.258 ( 11.109 1.547 0.000) 11.216 14.454 ( 6.649 -1.760 0.000) 6.877 14.958 ( 13.277 5.505 0.000) 14.373 15.385 ( 19.455 12.420 0.000) 23.082 15.846 ( 15.125 -4.549 0.000) 15.794 16.166 ( 13.915 6.790 0.000) 15.483 17.087 ( -2.037 -18.745 0.000) 18.855 17.162 ( -7.347 -2.271 0.000) 7.690 17.242 ( -13.258 -15.049 0.000) 20.056 17.972 ( 3.603 -0.399 0.000) 3.625 20.618 ( -30.148 -2.523 0.000) 30.253 21.291 ( -39.506 2.885 0.000) 39.611 21.353 ( -11.422 2.029 0.000) 11.601 21.740 ( -38.339 -9.971 0.000) 39.615 21.895 ( -22.193 3.981 0.000) 22.547 22.925 ( -7.846 -7.637 0.000) 10.950 ======================= Grid point 35 (27/147) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( -26.254 21.890 0.000) 34.182 2.336 ( -29.414 16.674 0.000) 33.812 3.594 ( -6.560 5.612 0.000) 8.634 3.634 ( -16.555 26.587 0.000) 31.320 3.685 ( -14.275 20.001 0.000) 24.572 3.901 ( -6.925 2.262 0.000) 7.285 4.010 ( -8.166 5.186 0.000) 9.674 4.205 ( -10.173 11.235 0.000) 15.157 4.837 ( -0.129 -3.762 0.000) 3.764 5.001 ( -9.424 -4.637 0.000) 10.503 5.132 ( -9.191 -2.440 0.000) 9.509 5.384 ( -5.232 -20.588 0.000) 21.243 6.043 ( -16.326 -20.976 0.000) 26.580 6.163 ( -32.094 -6.337 0.000) 32.713 6.791 ( -24.453 5.851 0.000) 25.143 6.946 ( -3.533 -2.741 0.000) 4.471 7.266 ( -5.696 10.007 0.000) 11.515 7.805 ( -26.174 -0.810 0.000) 26.187 7.834 ( -23.124 -2.274 0.000) 23.235 7.858 ( -18.605 8.803 0.000) 20.582 8.732 ( 4.054 -13.979 0.000) 14.555 9.142 ( -6.206 -1.253 0.000) 6.332 9.250 ( 10.178 -4.323 0.000) 11.058 9.640 ( -4.446 10.722 0.000) 11.607 9.846 ( 6.041 -16.559 0.000) 17.627 10.564 ( -4.151 5.988 0.000) 7.286 11.942 ( 13.347 16.224 0.000) 21.009 12.548 ( 22.581 -10.895 0.000) 25.072 12.565 ( 16.875 25.256 0.000) 30.375 13.498 ( 6.343 4.135 0.000) 7.572 13.599 ( 28.784 7.486 0.000) 29.742 14.358 ( 2.936 4.939 0.000) 5.746 14.466 ( 18.329 -9.865 0.000) 20.815 14.523 ( -6.523 -3.562 0.000) 7.432 15.087 ( 6.193 -0.948 0.000) 6.265 15.721 ( 19.419 5.304 0.000) 20.131 16.127 ( 9.884 -4.602 0.000) 10.902 16.267 ( 0.321 5.454 0.000) 5.464 17.048 ( -6.597 -6.596 0.000) 9.329 17.088 ( -6.228 -18.784 0.000) 19.789 17.428 ( 18.413 -11.257 0.000) 21.581 18.051 ( 5.371 2.189 0.000) 5.800 19.990 ( -38.492 -7.797 0.000) 39.274 20.479 ( -42.632 2.703 0.000) 42.718 20.949 ( -31.101 -2.410 0.000) 31.194 21.096 ( -34.875 -10.955 0.000) 36.556 21.564 ( -8.479 6.552 0.000) 10.715 22.860 ( -4.707 -7.747 0.000) 9.065 ======================= Grid point 36 (28/147) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -47.962 12.145 0.000) 49.476 1.503 ( -22.818 27.902 0.000) 36.044 2.863 ( -10.752 69.303 0.000) 70.133 3.469 ( -2.215 5.645 0.000) 6.064 3.632 ( 1.298 0.068 0.000) 1.299 3.814 ( -3.700 15.038 0.000) 15.487 3.827 ( -2.011 -1.172 0.000) 2.328 4.039 ( -4.337 -0.174 0.000) 4.341 4.837 ( -9.592 -5.371 0.000) 10.993 4.861 ( -0.150 -3.683 0.000) 3.686 5.075 ( -1.549 -4.648 0.000) 4.899 5.437 ( -4.297 -20.116 0.000) 20.570 5.674 ( -24.690 -15.877 0.000) 29.355 5.919 ( -10.507 -18.414 0.000) 21.201 6.375 ( -12.528 8.705 0.000) 15.255 6.885 ( 0.151 9.876 0.000) 9.877 7.133 ( -0.038 13.477 0.000) 13.477 7.315 ( -19.683 9.391 0.000) 21.808 7.492 ( -11.937 9.535 0.000) 15.278 7.597 ( -12.195 -25.430 0.000) 28.203 8.918 ( 4.123 -12.920 0.000) 13.562 9.068 ( -1.899 2.091 0.000) 2.825 9.452 ( 7.236 -4.078 0.000) 8.306 9.483 ( -4.036 8.802 0.000) 9.684 10.100 ( 7.382 -15.028 0.000) 16.743 10.433 ( -2.722 10.368 0.000) 10.719 11.997 ( 5.617 15.462 0.000) 16.451 12.689 ( 17.952 27.062 0.000) 32.474 13.143 ( 23.737 -17.649 0.000) 29.579 13.591 ( 2.528 0.178 0.000) 2.534 14.072 ( 24.181 4.377 0.000) 24.573 14.157 ( -30.211 -9.628 0.000) 31.708 14.398 ( 0.909 3.193 0.000) 3.320 14.839 ( 15.990 -1.519 0.000) 16.062 15.226 ( 4.491 -5.130 0.000) 6.818 15.971 ( 6.801 -4.748 0.000) 8.294 16.031 ( -20.524 -1.478 0.000) 20.577 16.303 ( 4.140 -1.400 0.000) 4.370 17.040 ( 0.445 -5.091 0.000) 5.111 17.272 ( 15.249 -5.987 0.000) 16.382 17.963 ( 30.384 -2.106 0.000) 30.457 18.167 ( 9.935 3.666 0.000) 10.589 19.341 ( -33.542 -12.293 0.000) 35.723 19.679 ( -36.576 3.480 0.000) 36.741 20.258 ( -44.987 -8.875 0.000) 45.854 20.652 ( -18.809 -11.665 0.000) 22.132 21.407 ( -3.068 9.410 0.000) 9.897 22.851 ( -1.868 -6.088 0.000) 6.368 ======================= Grid point 37 (29/147) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -0.000 21.692 0.000) 21.692 1.014 ( -0.000 34.103 0.000) 34.103 2.239 ( -0.000 75.587 0.000) 75.587 3.415 ( -0.000 4.432 0.000) 4.432 3.648 ( -0.000 1.793 0.000) 1.793 3.667 ( -0.000 15.029 0.000) 15.029 3.830 ( 0.000 -3.688 0.000) 3.688 4.009 ( 0.000 -1.832 0.000) 1.832 4.772 ( 0.000 -5.769 0.000) 5.769 4.884 ( 0.000 -2.981 0.000) 2.981 5.075 ( -0.000 2.656 0.000) 2.656 5.532 ( 0.000 -18.795 0.000) 18.795 5.571 ( 0.000 -24.161 0.000) 24.161 5.940 ( 0.000 -16.564 0.000) 16.564 6.200 ( -0.000 7.640 0.000) 7.640 6.832 ( -0.000 12.029 0.000) 12.029 7.005 ( -0.000 10.418 0.000) 10.418 7.046 ( -0.000 14.524 0.000) 14.524 7.287 ( -0.000 10.693 0.000) 10.693 7.697 ( 0.000 -29.501 0.000) 29.501 9.022 ( -0.000 6.698 0.000) 6.698 9.049 ( 0.000 -10.105 0.000) 10.105 9.382 ( -0.000 6.910 0.000) 6.910 9.556 ( 0.000 -3.805 0.000) 3.805 10.293 ( 0.000 -13.382 0.000) 13.382 10.327 ( -0.000 10.588 0.000) 10.588 11.948 ( -0.000 12.768 0.000) 12.768 12.914 ( -0.000 16.392 0.000) 16.392 13.358 ( 0.000 -0.306 0.000) 0.306 13.526 ( 0.000 -17.594 0.000) 17.594 13.821 ( -0.000 1.836 0.000) 1.836 14.339 ( -0.000 1.288 0.000) 1.288 14.410 ( 0.000 -0.143 0.000) 0.143 15.064 ( 0.000 -1.038 0.000) 1.038 15.309 ( 0.000 -5.401 0.000) 5.401 15.704 ( 0.000 -0.138 0.000) 0.138 16.082 ( 0.000 -8.615 0.000) 8.615 16.339 ( -0.000 1.269 0.000) 1.269 17.081 ( 0.000 -3.891 0.000) 3.891 17.542 ( 0.000 -0.098 0.000) 0.098 18.316 ( -0.000 0.026 0.000) 0.026 18.397 ( 0.000 -4.917 0.000) 4.917 19.098 ( 0.000 -0.039 0.000) 0.039 19.210 ( -0.000 7.551 0.000) 7.551 19.612 ( 0.000 -12.987 0.000) 12.987 20.562 ( 0.000 -11.849 0.000) 11.849 21.298 ( -0.000 12.548 0.000) 12.548 22.865 ( 0.000 -3.842 0.000) 3.842 ======================= Grid point 42 (30/147) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.333 ( 22.616 -0.000 0.000) 22.616 3.568 ( 14.191 -0.000 0.000) 14.191 4.353 ( 4.967 -0.000 0.000) 4.967 4.406 ( 1.208 -0.000 0.000) 1.208 4.527 ( 3.156 -0.000 0.000) 3.156 4.545 ( -0.435 0.000 0.000) 0.435 4.629 ( -3.000 0.000 0.000) 3.000 4.937 ( 8.382 -0.000 0.000) 8.382 5.198 ( 1.839 -0.000 0.000) 1.839 5.274 ( 2.812 -0.000 0.000) 2.812 5.308 ( 8.228 -0.000 0.000) 8.228 6.507 ( -1.132 0.000 0.000) 1.132 6.560 ( -3.528 0.000 0.000) 3.528 7.363 ( 0.813 -0.000 0.000) 0.813 7.973 ( -4.817 0.000 0.000) 4.817 8.136 ( -1.823 0.000 0.000) 1.823 8.391 ( 1.067 -0.000 0.000) 1.067 8.763 ( -1.521 0.000 0.000) 1.521 8.862 ( 9.003 -0.000 0.000) 9.003 9.016 ( 0.057 -0.000 0.000) 0.057 9.197 ( 6.842 -0.000 0.000) 6.842 9.622 ( 14.888 -0.000 0.000) 14.888 9.999 ( 8.110 -0.000 0.000) 8.110 10.159 ( -4.461 0.000 0.000) 4.461 10.275 ( -1.995 0.000 0.000) 1.995 10.599 ( 10.878 -0.000 0.000) 10.878 11.600 ( -15.431 0.000 0.000) 15.431 12.000 ( 12.278 -0.000 0.000) 12.278 12.068 ( 25.866 -0.000 0.000) 25.866 12.453 ( 12.167 -0.000 0.000) 12.167 12.995 ( -23.744 0.000 0.000) 23.744 13.316 ( -9.416 0.000 0.000) 9.416 13.720 ( -17.892 0.000 0.000) 17.892 13.780 ( 7.286 -0.000 0.000) 7.286 14.246 ( 0.120 -0.000 0.000) 0.120 14.931 ( 1.296 -0.000 0.000) 1.296 14.975 ( -8.624 0.000 0.000) 8.624 15.148 ( -4.146 0.000 0.000) 4.146 17.279 ( 1.022 -0.000 0.000) 1.022 17.473 ( -4.193 0.000 0.000) 4.193 17.878 ( -2.292 0.000 0.000) 2.292 17.893 ( 0.062 -0.000 0.000) 0.062 21.517 ( 1.201 -0.000 0.000) 1.201 21.671 ( 2.318 -0.000 0.000) 2.318 22.719 ( 11.878 -0.000 0.000) 11.878 22.814 ( 13.096 -0.000 0.000) 13.096 23.130 ( -3.721 0.000 0.000) 3.721 23.131 ( -2.037 0.000 0.000) 2.037 ======================= Grid point 43 (31/147) ======================= q-point: ( 0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.645 ( 12.079 7.565 0.000) 14.252 3.773 ( 7.844 2.828 0.000) 8.338 4.308 ( -9.054 -0.273 0.000) 9.058 4.390 ( -1.924 -1.219 0.000) 2.277 4.527 ( -2.972 -5.725 0.000) 6.450 4.531 ( -1.922 3.096 0.000) 3.644 4.628 ( -1.447 -7.119 0.000) 7.264 5.051 ( 3.234 -1.293 0.000) 3.483 5.115 ( -4.365 7.322 0.000) 8.525 5.296 ( 0.728 3.053 0.000) 3.138 5.521 ( 3.858 -17.470 0.000) 17.891 6.309 ( -5.639 22.083 0.000) 22.792 6.628 ( -3.160 -20.545 0.000) 20.787 7.275 ( -9.197 -0.316 0.000) 9.203 7.903 ( -9.573 7.806 0.000) 12.352 7.997 ( -3.766 -5.998 0.000) 7.082 8.334 ( 0.492 21.590 0.000) 21.596 8.719 ( -3.208 -0.313 0.000) 3.223 8.897 ( -6.574 -3.402 0.000) 7.402 8.974 ( -9.297 -13.711 0.000) 16.566 9.211 ( -6.518 -1.592 0.000) 6.709 9.853 ( -0.768 5.438 0.000) 5.492 9.949 ( -2.976 -0.658 0.000) 3.048 10.099 ( -1.237 -4.298 0.000) 4.472 10.193 ( -6.598 1.951 0.000) 6.880 10.728 ( 2.089 2.859 0.000) 3.541 11.286 ( -16.279 -1.237 0.000) 16.326 12.234 ( 12.055 -3.644 0.000) 12.594 12.529 ( -8.449 1.631 0.000) 8.605 12.581 ( 9.876 -6.803 0.000) 11.993 12.718 ( 13.375 0.868 0.000) 13.403 13.270 ( 7.384 0.269 0.000) 7.389 13.373 ( -16.439 2.807 0.000) 16.677 14.008 ( 14.215 2.459 0.000) 14.426 14.261 ( 2.189 0.216 0.000) 2.200 14.950 ( 5.342 -0.793 0.000) 5.400 15.006 ( 7.537 2.122 0.000) 7.830 15.210 ( 11.088 0.715 0.000) 11.111 17.303 ( 1.234 -0.124 0.000) 1.240 17.353 ( -8.681 -0.164 0.000) 8.682 17.789 ( -7.411 -0.673 0.000) 7.442 17.890 ( -0.285 0.123 0.000) 0.310 21.498 ( -3.012 0.695 0.000) 3.091 21.690 ( 0.592 2.403 0.000) 2.474 22.824 ( -1.751 -1.135 0.000) 2.087 22.974 ( -13.700 0.751 0.000) 13.721 22.994 ( 3.113 -1.067 0.000) 3.291 23.015 ( -7.274 -1.269 0.000) 7.384 ======================= Grid point 44 (32/147) ======================= q-point: (-0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.683 ( 1.480 15.410 0.000) 15.481 3.780 ( -2.931 12.087 0.000) 12.437 4.138 ( -9.517 -5.292 0.000) 10.889 4.293 ( -9.326 -2.249 0.000) 9.593 4.435 ( -5.575 2.117 0.000) 5.964 4.497 ( -6.027 -5.365 0.000) 8.069 4.636 ( -3.982 -10.061 0.000) 10.820 4.954 ( -7.517 3.896 0.000) 8.467 5.088 ( -0.744 -3.055 0.000) 3.144 5.255 ( -2.432 3.514 0.000) 4.274 5.695 ( -1.331 -23.973 0.000) 24.010 5.975 ( -12.590 22.944 0.000) 26.171 6.709 ( -4.201 -20.378 0.000) 20.807 7.082 ( -11.043 -0.879 0.000) 11.078 7.455 ( -21.564 18.800 0.000) 28.608 8.085 ( -9.774 14.380 0.000) 17.387 8.125 ( 5.735 -1.360 0.000) 5.894 8.639 ( -5.709 -0.747 0.000) 5.757 8.648 ( -17.181 2.089 0.000) 17.308 8.893 ( -14.111 -21.187 0.000) 25.456 8.992 ( -17.737 -5.841 0.000) 18.674 9.542 ( -17.275 8.994 0.000) 19.476 9.853 ( -16.363 -7.757 0.000) 18.109 9.975 ( -14.110 2.961 0.000) 14.418 10.175 ( 6.407 6.560 0.000) 9.170 10.664 ( -4.647 2.512 0.000) 5.282 11.093 ( -4.537 -6.190 0.000) 7.675 12.323 ( -2.093 2.334 0.000) 3.135 12.529 ( 15.660 -3.476 0.000) 16.042 12.833 ( -2.205 7.354 0.000) 7.678 12.900 ( 11.629 -8.288 0.000) 14.281 13.163 ( 0.227 -2.061 0.000) 2.074 13.595 ( 22.308 0.860 0.000) 22.325 14.233 ( 10.946 3.034 0.000) 11.358 14.361 ( 10.218 1.312 0.000) 10.302 15.152 ( 13.597 -1.943 0.000) 13.735 15.189 ( 15.142 7.732 0.000) 17.001 15.530 ( 21.918 2.271 0.000) 22.036 17.143 ( -14.554 -3.514 0.000) 14.973 17.316 ( -0.225 0.261 0.000) 0.345 17.603 ( -13.510 -3.006 0.000) 13.841 17.884 ( -0.138 -0.170 0.000) 0.219 21.380 ( -9.129 1.426 0.000) 9.239 21.656 ( -1.741 4.104 0.000) 4.458 22.596 ( -23.272 1.940 0.000) 23.352 22.671 ( -17.597 -3.586 0.000) 17.958 22.772 ( -16.298 0.029 0.000) 16.298 23.031 ( -3.500 -3.748 0.000) 5.128 ======================= Grid point 45 (33/147) ======================= q-point: (-0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.499 ( -14.095 16.122 0.000) 21.414 3.505 ( -7.488 17.336 0.000) 18.884 4.003 ( -8.583 -1.814 0.000) 8.772 4.088 ( -13.224 -2.392 0.000) 13.438 4.307 ( -6.921 -0.186 0.000) 6.924 4.323 ( -13.405 1.146 0.000) 13.454 4.641 ( -3.894 -12.917 0.000) 13.492 4.798 ( -7.432 -0.016 0.000) 7.432 5.070 ( -4.455 -4.702 0.000) 6.477 5.161 ( -5.035 2.016 0.000) 5.424 5.511 ( -17.417 22.296 0.000) 28.293 5.806 ( -7.107 -26.979 0.000) 27.900 6.671 ( -25.930 27.084 0.000) 37.496 6.751 ( -7.137 -20.708 0.000) 21.903 7.033 ( -11.183 4.096 0.000) 11.909 7.730 ( -17.489 6.020 0.000) 18.496 8.031 ( -21.542 -1.094 0.000) 21.570 8.447 ( -2.019 4.334 0.000) 4.781 8.506 ( -9.031 -0.062 0.000) 9.032 8.716 ( -6.715 -8.002 0.000) 10.446 8.744 ( -19.953 -21.463 0.000) 29.305 9.074 ( -24.616 10.343 0.000) 26.701 9.538 ( -20.816 -7.725 0.000) 22.203 9.668 ( -14.595 -0.138 0.000) 14.596 10.151 ( -0.174 14.720 0.000) 14.721 10.605 ( -0.255 -1.756 0.000) 1.775 11.216 ( 10.138 -10.104 0.000) 14.313 12.393 ( 11.194 5.924 0.000) 12.665 12.638 ( -4.552 14.439 0.000) 15.140 12.860 ( 17.416 1.122 0.000) 17.452 13.213 ( 15.891 -4.283 0.000) 16.459 13.380 ( 14.850 -10.048 0.000) 17.930 13.959 ( 15.879 -0.333 0.000) 15.882 14.372 ( 6.073 2.250 0.000) 6.477 14.670 ( 22.436 2.941 0.000) 22.628 15.439 ( 19.104 17.353 0.000) 25.809 15.460 ( 16.021 -2.950 0.000) 16.290 15.941 ( 22.024 4.174 0.000) 22.416 16.885 ( -16.634 -12.721 0.000) 20.941 17.275 ( -4.105 0.706 0.000) 4.166 17.323 ( -19.457 -7.627 0.000) 20.898 17.896 ( 0.986 -1.331 0.000) 1.657 21.104 ( -18.994 2.179 0.000) 19.118 21.566 ( -4.516 4.250 0.000) 6.201 22.042 ( -32.829 2.207 0.000) 32.904 22.237 ( -31.134 -5.964 0.000) 31.701 22.390 ( -23.185 0.432 0.000) 23.189 22.940 ( -8.734 -5.636 0.000) 10.394 ======================= Grid point 46 (34/147) ======================= q-point: (-0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( -19.990 18.022 0.000) 26.914 3.139 ( -19.166 15.000 0.000) 24.338 3.836 ( -7.827 3.014 0.000) 8.388 3.848 ( -12.353 -0.370 0.000) 12.359 4.047 ( -12.440 0.735 0.000) 12.462 4.171 ( -7.559 -0.347 0.000) 7.567 4.633 ( -8.367 7.407 0.000) 11.175 4.666 ( -4.367 -11.782 0.000) 12.565 4.883 ( -14.075 12.503 0.000) 18.827 5.040 ( -7.672 -2.325 0.000) 8.016 5.157 ( -7.049 -1.603 0.000) 7.229 5.738 ( -22.117 -9.986 0.000) 24.267 5.973 ( -17.957 19.588 0.000) 26.574 6.705 ( -24.419 1.776 0.000) 24.483 6.748 ( -8.502 -20.970 0.000) 22.628 7.328 ( -22.172 1.381 0.000) 22.215 7.613 ( -16.495 3.545 0.000) 16.871 8.253 ( -18.375 1.865 0.000) 18.469 8.301 ( -8.785 3.804 0.000) 9.573 8.474 ( -18.047 -17.759 0.000) 25.319 8.491 ( -26.287 11.540 0.000) 28.708 8.897 ( 11.804 -8.254 0.000) 14.404 9.229 ( -16.116 -8.494 0.000) 18.217 9.509 ( -4.003 -8.208 0.000) 9.133 10.002 ( -3.463 15.035 0.000) 15.429 10.640 ( 1.019 -1.417 0.000) 1.746 11.590 ( 21.180 -8.893 0.000) 22.971 12.494 ( 1.183 15.698 0.000) 15.742 12.619 ( 17.962 10.901 0.000) 21.011 13.224 ( 23.487 4.122 0.000) 23.846 13.491 ( 11.294 4.020 0.000) 11.988 13.820 ( 22.346 -10.870 0.000) 24.849 14.268 ( 16.777 0.098 0.000) 16.778 14.441 ( 2.212 0.971 0.000) 2.416 15.037 ( 13.884 5.046 0.000) 14.772 15.613 ( 13.998 18.227 0.000) 22.982 15.783 ( 14.724 -3.942 0.000) 15.243 16.266 ( 15.223 6.649 0.000) 16.611 16.807 ( -3.488 -19.715 0.000) 20.022 17.022 ( -15.899 -14.602 0.000) 21.587 17.140 ( -9.847 -0.907 0.000) 9.889 17.947 ( 2.859 -2.746 0.000) 3.964 20.610 ( -31.422 1.152 0.000) 31.443 21.326 ( -40.140 1.968 0.000) 40.188 21.394 ( -12.773 3.215 0.000) 13.171 21.607 ( -38.773 -8.051 0.000) 39.600 21.925 ( -22.757 0.386 0.000) 22.760 22.818 ( -7.849 -6.676 0.000) 10.304 ======================= Grid point 47 (35/147) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( -22.619 21.737 0.000) 31.371 2.528 ( -35.579 10.797 0.000) 37.181 3.660 ( -6.056 0.523 0.000) 6.079 3.679 ( -4.950 6.143 0.000) 7.889 3.880 ( -5.055 0.063 0.000) 5.056 4.037 ( -5.907 0.394 0.000) 5.920 4.329 ( -8.238 34.193 0.000) 35.172 4.427 ( -12.238 16.380 0.000) 20.447 4.757 ( -1.219 -7.296 0.000) 7.397 4.909 ( -9.318 -7.123 0.000) 11.729 5.117 ( -5.443 -14.658 0.000) 15.636 5.192 ( -20.081 13.010 0.000) 23.927 5.755 ( -13.967 -16.522 0.000) 21.635 6.114 ( -34.013 -0.927 0.000) 34.025 6.762 ( -4.977 -20.678 0.000) 21.268 6.874 ( -21.126 5.403 0.000) 21.806 7.397 ( -3.483 7.953 0.000) 8.682 7.783 ( -25.990 2.393 0.000) 26.100 7.953 ( -21.615 12.232 0.000) 24.836 7.962 ( -18.422 5.336 0.000) 19.179 8.489 ( 0.562 -19.796 0.000) 19.804 9.072 ( -7.135 -7.900 0.000) 10.645 9.173 ( 10.854 -5.959 0.000) 12.382 9.624 ( 6.505 -13.243 0.000) 14.755 9.814 ( -5.272 12.870 0.000) 13.908 10.636 ( -0.726 3.233 0.000) 3.313 12.085 ( 22.329 0.744 0.000) 22.342 12.483 ( 8.899 4.148 0.000) 9.819 12.886 ( 19.982 18.149 0.000) 26.994 13.591 ( 5.380 8.129 0.000) 9.748 13.675 ( 24.984 2.475 0.000) 25.106 14.358 ( 27.225 -4.174 0.000) 27.544 14.390 ( -11.172 -2.898 0.000) 11.542 14.495 ( 4.566 3.676 0.000) 5.862 15.071 ( -1.091 -1.607 0.000) 1.943 15.806 ( 11.519 5.976 0.000) 12.977 16.058 ( 10.215 -4.636 0.000) 11.218 16.365 ( -1.939 8.037 0.000) 8.268 16.787 ( -3.925 -21.611 0.000) 21.965 16.970 ( -6.821 -4.734 0.000) 8.303 17.298 ( 28.650 -6.974 0.000) 29.486 18.044 ( 5.178 -2.817 0.000) 5.895 19.915 ( -40.716 -2.586 0.000) 40.798 20.505 ( -44.027 0.850 0.000) 44.035 20.938 ( -33.296 0.429 0.000) 33.299 20.950 ( -34.207 -8.637 0.000) 35.280 21.621 ( -8.857 1.339 0.000) 8.958 22.758 ( -3.149 -5.978 0.000) 6.757 ======================= Grid point 48 (36/147) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -44.751 11.587 0.000) 46.227 1.909 ( -18.000 27.320 0.000) 32.717 3.563 ( -2.020 7.249 0.000) 7.525 3.628 ( 2.556 1.073 0.000) 2.772 3.808 ( -0.885 18.233 0.000) 18.255 3.862 ( -4.743 45.109 0.000) 45.358 3.961 ( -0.930 2.235 0.000) 2.421 4.131 ( -6.725 15.632 0.000) 17.017 4.768 ( -9.899 -3.794 0.000) 10.601 4.790 ( -0.658 -6.077 0.000) 6.113 4.949 ( -3.429 -11.437 0.000) 11.940 5.146 ( -4.258 -19.330 0.000) 19.794 5.502 ( -28.566 -8.239 0.000) 29.730 5.664 ( -9.827 -15.610 0.000) 18.445 6.506 ( -11.205 8.902 0.000) 14.311 6.878 ( 3.139 -15.803 0.000) 16.112 7.310 ( 0.780 10.919 0.000) 10.947 7.342 ( -19.660 -5.081 0.000) 20.306 7.491 ( -15.315 14.948 0.000) 21.401 7.620 ( -11.394 7.948 0.000) 13.892 8.679 ( 2.866 -20.432 0.000) 20.632 9.036 ( -2.654 -5.954 0.000) 6.519 9.385 ( 6.834 -5.065 0.000) 8.506 9.634 ( -3.692 11.714 0.000) 12.282 9.879 ( 7.905 -14.592 0.000) 16.596 10.575 ( -0.840 8.464 0.000) 8.506 12.229 ( 4.572 15.776 0.000) 16.425 12.891 ( 20.629 -16.572 0.000) 26.461 13.066 ( 14.989 24.561 0.000) 28.773 13.624 ( 0.012 3.774 0.000) 3.774 14.020 ( -25.310 -9.110 0.000) 26.899 14.104 ( 20.225 0.062 0.000) 20.225 14.456 ( -2.545 4.745 0.000) 5.384 14.850 ( 21.891 3.223 0.000) 22.127 15.141 ( 2.357 -6.343 0.000) 6.767 15.870 ( -2.872 -9.336 0.000) 9.768 16.023 ( -22.235 0.261 0.000) 22.236 16.265 ( 3.971 -3.347 0.000) 5.194 16.999 ( 5.012 -0.899 0.000) 5.092 17.145 ( 24.854 -9.735 0.000) 26.693 17.990 ( 38.475 4.425 0.000) 38.729 18.188 ( 8.556 -0.759 0.000) 8.590 19.185 ( -35.013 -8.645 0.000) 36.064 19.698 ( -37.846 -1.200 0.000) 37.865 20.184 ( -45.475 -2.536 0.000) 45.546 20.500 ( -18.429 -8.628 0.000) 20.349 21.499 ( -3.208 3.235 0.000) 4.556 22.774 ( 0.210 -4.491 0.000) 4.496 ======================= Grid point 49 (37/147) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -0.000 19.403 0.000) 19.403 1.496 ( -0.000 32.008 0.000) 32.008 3.314 ( -0.000 72.113 0.000) 72.113 3.495 ( -0.000 6.544 0.000) 6.544 3.679 ( -0.000 2.388 0.000) 2.388 3.785 ( 0.000 -2.090 0.000) 2.090 3.915 ( -0.000 18.850 0.000) 18.850 3.980 ( 0.000 -2.026 0.000) 2.026 4.692 ( 0.000 -5.140 0.000) 5.140 4.824 ( 0.000 -5.263 0.000) 5.263 5.103 ( -0.000 1.119 0.000) 1.119 5.202 ( 0.000 -25.789 0.000) 25.789 5.247 ( 0.000 -20.135 0.000) 20.135 5.691 ( 0.000 -17.163 0.000) 17.163 6.331 ( -0.000 9.759 0.000) 9.759 6.998 ( -0.000 10.568 0.000) 10.568 7.170 ( 0.000 -0.776 0.000) 0.776 7.243 ( -0.000 12.429 0.000) 12.429 7.273 ( 0.000 -15.732 0.000) 15.732 7.438 ( -0.000 9.710 0.000) 9.710 8.854 ( 0.000 -17.266 0.000) 17.266 9.045 ( 0.000 -2.945 0.000) 2.945 9.491 ( 0.000 -5.027 0.000) 5.027 9.515 ( -0.000 10.930 0.000) 10.930 10.078 ( 0.000 -15.473 0.000) 15.473 10.492 ( -0.000 11.221 0.000) 11.221 12.156 ( -0.000 15.330 0.000) 15.330 13.184 ( -0.000 20.157 0.000) 20.157 13.251 ( 0.000 -19.586 0.000) 19.586 13.353 ( 0.000 -0.371 0.000) 0.371 13.858 ( -0.000 3.262 0.000) 3.262 14.345 ( 0.000 -0.445 0.000) 0.445 14.408 ( 0.000 -0.172 0.000) 0.172 15.076 ( -0.000 2.894 0.000) 2.894 15.213 ( 0.000 -7.624 0.000) 7.624 15.702 ( 0.000 -0.166 0.000) 0.166 15.924 ( 0.000 -13.120 0.000) 13.120 16.329 ( 0.000 -2.445 0.000) 2.445 17.060 ( -0.000 0.957 0.000) 0.957 17.540 ( 0.000 -0.119 0.000) 0.119 18.317 ( -0.000 0.031 0.000) 0.031 18.334 ( 0.000 -3.065 0.000) 3.065 19.097 ( 0.000 -0.047 0.000) 0.047 19.274 ( -0.000 0.326 0.000) 0.326 19.461 ( 0.000 -7.862 0.000) 7.862 20.392 ( 0.000 -10.416 0.000) 10.416 21.436 ( -0.000 6.192 0.000) 6.192 22.808 ( 0.000 -3.791 0.000) 3.791 ======================= Grid point 56 (38/147) ======================= q-point: (-0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.815 ( 1.801 -0.000 0.000) 1.801 3.898 ( 3.690 -0.000 0.000) 3.690 4.073 ( -14.445 0.000 0.000) 14.445 4.279 ( -9.020 0.000 0.000) 9.020 4.433 ( -4.514 0.000 0.000) 4.514 4.500 ( -6.957 0.000 0.000) 6.957 4.504 ( -4.134 0.000 0.000) 4.134 4.989 ( -9.842 0.000 0.000) 9.842 5.072 ( -0.455 0.000 0.000) 0.455 5.336 ( -0.080 0.000 0.000) 0.080 5.458 ( -2.328 0.000 0.000) 2.328 6.224 ( -15.198 0.000 0.000) 15.198 6.477 ( -2.018 0.000 0.000) 2.018 7.073 ( -10.304 0.000 0.000) 10.304 7.589 ( -20.733 0.000 0.000) 20.733 8.069 ( 6.189 -0.000 0.000) 6.189 8.402 ( -4.788 0.000 0.000) 4.788 8.538 ( -22.932 0.000 0.000) 22.932 8.634 ( -5.592 0.000 0.000) 5.592 8.683 ( -16.518 0.000 0.000) 16.518 8.972 ( -17.044 0.000 0.000) 17.044 9.639 ( -16.881 0.000 0.000) 16.881 9.766 ( -16.073 0.000 0.000) 16.073 9.998 ( -14.624 0.000 0.000) 14.624 10.224 ( 9.031 -0.000 0.000) 9.031 10.686 ( -6.420 0.000 0.000) 6.420 11.045 ( -5.964 0.000 0.000) 5.964 12.340 ( -1.577 0.000 0.000) 1.577 12.499 ( 17.094 -0.000 0.000) 17.094 12.837 ( 13.346 -0.000 0.000) 13.346 12.883 ( 0.584 -0.000 0.000) 0.584 13.155 ( -3.261 0.000 0.000) 3.261 13.602 ( 21.829 -0.000 0.000) 21.829 14.253 ( 10.000 -0.000 0.000) 10.000 14.371 ( 10.778 -0.000 0.000) 10.778 15.137 ( 13.489 -0.000 0.000) 13.489 15.249 ( 17.226 -0.000 0.000) 17.226 15.547 ( 22.203 -0.000 0.000) 22.203 17.116 ( -16.372 0.000 0.000) 16.372 17.317 ( -0.041 0.000 0.000) 0.041 17.580 ( -14.314 0.000 0.000) 14.314 17.883 ( -0.397 0.000 0.000) 0.397 21.391 ( -8.930 0.000 0.000) 8.930 21.688 ( -1.929 0.000 0.000) 1.929 22.615 ( -23.895 0.000 0.000) 23.895 22.639 ( -17.364 0.000 0.000) 17.364 22.771 ( -16.225 0.000 0.000) 16.225 23.002 ( -3.660 0.000 0.000) 3.660 ======================= Grid point 58 (39/147) ======================= q-point: (-0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.700 ( -10.438 7.974 0.000) 13.135 3.714 ( -15.650 11.477 0.000) 19.407 3.954 ( -3.146 -4.600 0.000) 5.573 4.070 ( -12.128 -0.147 0.000) 12.129 4.308 ( -11.424 -2.161 0.000) 11.626 4.328 ( -7.386 3.511 0.000) 8.178 4.450 ( -6.527 -11.082 0.000) 12.861 4.805 ( -7.580 0.642 0.000) 7.607 5.037 ( -3.489 -0.730 0.000) 3.565 5.240 ( -4.836 9.523 0.000) 10.681 5.465 ( -6.217 -19.361 0.000) 20.335 5.811 ( -19.637 15.822 0.000) 25.217 6.465 ( -6.865 -15.456 0.000) 16.912 6.875 ( -12.185 3.631 0.000) 12.714 7.159 ( -19.859 8.366 0.000) 21.549 7.905 ( -22.816 17.126 0.000) 28.529 8.016 ( -19.667 -0.304 0.000) 19.670 8.356 ( -15.861 -23.951 0.000) 28.727 8.507 ( -8.045 0.075 0.000) 8.045 8.522 ( 0.622 2.996 0.000) 3.060 8.641 ( -12.640 -4.352 0.000) 13.368 9.231 ( -22.389 10.470 0.000) 24.716 9.410 ( -22.887 -9.316 0.000) 24.711 9.676 ( -17.045 0.528 0.000) 17.053 10.338 ( 4.397 9.499 0.000) 10.468 10.557 ( -5.626 -4.262 0.000) 7.058 11.108 ( 10.711 -4.144 0.000) 11.485 12.448 ( 12.178 1.828 0.000) 12.314 12.781 ( -4.675 5.048 0.000) 6.880 12.860 ( 19.685 -0.459 0.000) 19.691 13.159 ( 19.052 -2.325 0.000) 19.193 13.292 ( 14.294 -2.590 0.000) 14.527 13.962 ( 16.198 0.347 0.000) 16.202 14.396 ( 5.717 0.886 0.000) 5.785 14.700 ( 22.829 1.073 0.000) 22.854 15.429 ( 15.875 -1.138 0.000) 15.916 15.641 ( 25.560 8.443 0.000) 26.919 15.984 ( 22.632 1.558 0.000) 22.685 16.736 ( -24.512 -6.317 0.000) 25.313 17.244 ( -21.763 -2.898 0.000) 21.955 17.283 ( -4.114 0.310 0.000) 4.125 17.880 ( 0.083 -0.625 0.000) 0.630 21.132 ( -18.692 1.164 0.000) 18.729 21.613 ( -5.304 1.811 0.000) 5.605 22.066 ( -33.084 1.048 0.000) 33.100 22.174 ( -31.641 -2.446 0.000) 31.736 22.390 ( -23.520 -0.136 0.000) 23.520 22.880 ( -8.956 -2.298 0.000) 9.246 ======================= Grid point 59 (40/147) ======================= q-point: (-0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( -19.893 13.184 0.000) 23.865 3.313 ( -23.911 8.639 0.000) 25.423 3.850 ( -10.182 0.668 0.000) 10.204 3.881 ( -4.440 3.107 0.000) 5.419 4.044 ( -14.776 -1.202 0.000) 14.825 4.177 ( -6.778 1.662 0.000) 6.979 4.445 ( -4.178 -16.324 0.000) 16.850 4.697 ( -3.573 2.467 0.000) 4.342 4.941 ( -7.708 -0.500 0.000) 7.724 5.051 ( -9.203 4.671 0.000) 10.321 5.322 ( -16.592 17.408 0.000) 24.048 5.448 ( -11.509 -20.510 0.000) 23.519 6.401 ( -23.298 25.951 0.000) 34.874 6.432 ( -9.787 -20.493 0.000) 22.711 6.747 ( -23.498 4.318 0.000) 23.892 7.366 ( -23.205 4.539 0.000) 23.645 7.657 ( -13.316 2.688 0.000) 13.585 8.157 ( -19.198 -23.928 0.000) 30.678 8.279 ( -17.121 1.446 0.000) 17.182 8.348 ( -10.643 2.377 0.000) 10.905 8.682 ( -23.794 14.154 0.000) 27.686 8.799 ( 13.394 -4.926 0.000) 14.271 9.079 ( -18.075 -11.853 0.000) 21.615 9.432 ( -7.014 -2.881 0.000) 7.583 10.217 ( -5.216 14.045 0.000) 14.983 10.586 ( 1.868 -5.951 0.000) 6.237 11.475 ( 22.772 -6.088 0.000) 23.572 12.679 ( -0.855 9.090 0.000) 9.130 12.730 ( 18.983 4.726 0.000) 19.563 13.251 ( 21.432 -0.078 0.000) 21.432 13.517 ( 15.191 0.052 0.000) 15.191 13.721 ( 27.911 -3.137 0.000) 28.087 14.279 ( 18.179 1.439 0.000) 18.236 14.470 ( 3.165 2.104 0.000) 3.800 15.099 ( 14.641 3.276 0.000) 15.003 15.736 ( 14.514 -2.336 0.000) 14.701 15.898 ( 5.137 20.541 0.000) 21.174 16.349 ( 17.195 4.366 0.000) 17.740 16.515 ( -0.326 -20.508 0.000) 20.511 16.841 ( -19.378 -9.445 0.000) 21.557 17.132 ( -12.062 -0.346 0.000) 12.067 17.905 ( 1.520 -2.559 0.000) 2.977 20.637 ( -32.113 1.927 0.000) 32.171 21.348 ( -41.021 1.049 0.000) 41.035 21.436 ( -13.798 2.250 0.000) 13.980 21.514 ( -38.513 -4.541 0.000) 38.780 21.917 ( -23.942 -1.082 0.000) 23.967 22.741 ( -6.862 -3.734 0.000) 7.812 ======================= Grid point 60 (41/147) ======================= q-point: (-0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( -38.165 7.277 0.000) 38.853 2.778 ( -20.804 17.077 0.000) 26.916 3.681 ( -5.490 2.533 0.000) 6.046 3.771 ( -3.048 6.420 0.000) 7.106 3.861 ( -5.003 -2.700 0.000) 5.685 4.045 ( -5.535 1.217 0.000) 5.667 4.506 ( -1.665 -10.933 0.000) 11.059 4.605 ( -3.109 6.337 0.000) 7.059 4.726 ( -10.099 6.068 0.000) 11.782 4.842 ( -10.053 -0.360 0.000) 10.059 5.016 ( -8.035 2.917 0.000) 8.548 5.302 ( -15.868 -9.121 0.000) 18.303 5.781 ( -19.151 24.584 0.000) 31.163 6.138 ( -33.426 5.816 0.000) 33.928 6.416 ( -8.208 -24.864 0.000) 26.183 6.944 ( -18.334 4.168 0.000) 18.802 7.495 ( -2.039 5.425 0.000) 5.795 7.831 ( -25.392 3.227 0.000) 25.596 7.980 ( -15.890 -7.296 0.000) 17.484 8.165 ( -18.888 16.068 0.000) 24.798 8.187 ( -5.978 -16.608 0.000) 17.651 8.925 ( -7.911 -11.975 0.000) 14.352 9.090 ( 12.210 -5.053 0.000) 13.214 9.475 ( 6.199 -7.380 0.000) 9.638 10.002 ( -6.527 12.420 0.000) 14.031 10.650 ( 1.640 -1.212 0.000) 2.039 12.015 ( 26.997 -6.981 0.000) 27.885 12.610 ( 1.017 9.789 0.000) 9.842 13.081 ( 22.486 8.961 0.000) 24.206 13.672 ( 21.439 -2.093 0.000) 21.540 13.703 ( 7.114 6.014 0.000) 9.316 14.348 ( 35.214 1.984 0.000) 35.270 14.364 ( -15.899 2.003 0.000) 16.025 14.569 ( 6.655 4.070 0.000) 7.801 15.039 ( -7.547 -2.480 0.000) 7.944 15.892 ( -1.735 5.936 0.000) 6.184 15.998 ( 10.295 -3.399 0.000) 10.841 16.485 ( 1.733 -19.208 0.000) 19.286 16.498 ( -2.638 10.061 0.000) 10.401 16.897 ( -7.610 -5.753 0.000) 9.540 17.219 ( 38.964 -3.988 0.000) 39.167 17.984 ( 4.313 -4.701 0.000) 6.380 19.904 ( -42.455 0.528 0.000) 42.458 20.506 ( -46.265 -0.468 0.000) 46.268 20.852 ( -32.341 -4.888 0.000) 32.708 20.950 ( -35.105 0.983 0.000) 35.119 21.614 ( -9.347 -1.660 0.000) 9.493 22.690 ( -1.254 -3.358 0.000) 3.584 ======================= Grid point 61 (42/147) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -41.269 9.560 0.000) 42.362 2.276 ( -15.286 22.626 0.000) 27.305 3.643 ( 3.239 1.808 0.000) 3.709 3.675 ( -1.532 7.873 0.000) 8.021 3.838 ( -0.643 1.153 0.000) 1.320 3.966 ( -2.007 0.266 0.000) 2.024 4.394 ( -4.056 17.779 0.000) 18.236 4.497 ( -0.692 9.810 0.000) 9.834 4.680 ( 0.582 -9.413 0.000) 9.431 4.739 ( 0.094 -1.100 0.000) 1.104 4.907 ( -6.748 -11.331 0.000) 13.188 4.928 ( -17.038 20.804 0.000) 26.891 5.401 ( -17.851 -1.427 0.000) 17.908 5.528 ( -20.955 -2.144 0.000) 21.064 6.510 ( -2.390 -29.921 0.000) 30.016 6.626 ( -9.853 7.610 0.000) 12.449 7.371 ( -18.016 4.625 0.000) 18.600 7.447 ( 1.291 7.875 0.000) 7.980 7.716 ( -10.261 4.895 0.000) 11.368 7.739 ( -11.878 18.560 0.000) 22.036 8.319 ( -0.239 -28.918 0.000) 28.919 8.911 ( -3.040 -10.880 0.000) 11.296 9.312 ( 7.062 -4.668 0.000) 8.465 9.696 ( 8.106 -10.313 0.000) 13.118 9.810 ( -3.843 12.070 0.000) 12.667 10.663 ( 0.605 3.415 0.000) 3.468 12.422 ( 7.787 8.664 0.000) 11.649 12.689 ( 13.692 -9.226 0.000) 16.510 13.390 ( 15.567 19.338 0.000) 24.825 13.690 ( -9.413 5.067 0.000) 10.690 13.901 ( -14.636 -6.726 0.000) 16.108 14.085 ( 19.491 -2.144 0.000) 19.609 14.529 ( -5.674 4.615 0.000) 7.314 14.925 ( 25.439 6.359 0.000) 26.221 15.059 ( 0.524 -3.930 0.000) 3.965 15.699 ( -12.094 -14.019 0.000) 18.515 16.033 ( -22.359 0.796 0.000) 22.374 16.222 ( 0.418 -2.100 0.000) 2.141 16.999 ( 9.515 0.436 0.000) 9.525 17.023 ( 34.535 -6.623 0.000) 35.165 18.063 ( 45.450 4.984 0.000) 45.722 18.150 ( 9.712 -4.121 0.000) 10.550 19.093 ( -39.226 -4.278 0.000) 39.459 19.652 ( -41.984 -4.328 0.000) 42.207 20.163 ( -46.125 -0.694 0.000) 46.131 20.410 ( -16.775 -4.016 0.000) 17.249 21.510 ( -3.579 -1.147 0.000) 3.758 22.722 ( 1.586 -2.611 0.000) 3.055 ======================= Grid point 62 (43/147) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -0.000 15.749 0.000) 15.749 1.932 ( -0.000 27.586 0.000) 27.586 3.602 ( -0.000 7.996 0.000) 7.996 3.715 ( -0.000 2.460 0.000) 2.460 3.777 ( -0.000 1.322 0.000) 1.322 3.955 ( 0.000 -1.209 0.000) 1.209 4.208 ( -0.000 21.105 0.000) 21.105 4.305 ( -0.000 60.567 0.000) 60.567 4.630 ( 0.000 -3.111 0.000) 3.111 4.740 ( 0.000 -5.607 0.000) 5.607 4.856 ( 0.000 -18.049 0.000) 18.049 4.957 ( 0.000 -19.568 0.000) 19.568 5.099 ( 0.000 -2.295 0.000) 2.295 5.462 ( 0.000 -13.566 0.000) 13.566 6.470 ( -0.000 9.175 0.000) 9.175 6.742 ( 0.000 -34.320 0.000) 34.320 7.133 ( -0.000 8.001 0.000) 8.001 7.404 ( -0.000 9.689 0.000) 9.689 7.477 ( -0.000 19.698 0.000) 19.698 7.563 ( -0.000 7.459 0.000) 7.459 8.533 ( 0.000 -27.127 0.000) 27.127 8.955 ( 0.000 -8.973 0.000) 8.973 9.416 ( 0.000 -4.973 0.000) 4.973 9.686 ( -0.000 12.170 0.000) 12.170 9.868 ( 0.000 -12.819 0.000) 12.819 10.629 ( -0.000 6.995 0.000) 6.995 12.376 ( -0.000 14.304 0.000) 14.304 12.976 ( 0.000 -17.651 0.000) 17.651 13.348 ( 0.000 -0.350 0.000) 0.350 13.481 ( -0.000 20.132 0.000) 20.132 13.916 ( -0.000 4.735 0.000) 4.735 14.332 ( 0.000 -1.051 0.000) 1.051 14.406 ( 0.000 -0.162 0.000) 0.162 15.096 ( 0.000 -8.080 0.000) 8.080 15.144 ( -0.000 6.149 0.000) 6.149 15.700 ( 0.000 -0.156 0.000) 0.156 15.708 ( 0.000 -16.203 0.000) 16.203 16.280 ( 0.000 -3.788 0.000) 3.788 17.096 ( -0.000 3.400 0.000) 3.400 17.539 ( 0.000 -0.112 0.000) 0.112 18.317 ( -0.000 0.029 0.000) 0.029 18.320 ( -0.000 1.180 0.000) 1.180 19.096 ( 0.000 -0.044 0.000) 0.044 19.211 ( 0.000 -8.416 0.000) 8.416 19.372 ( 0.000 -4.773 0.000) 4.773 20.280 ( 0.000 -4.950 0.000) 4.950 21.480 ( -0.000 0.386 0.000) 0.386 22.761 ( 0.000 -2.670 0.000) 2.670 ======================= Grid point 71 (44/147) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.378 ( -26.005 0.000 0.000) 26.005 3.386 ( -20.922 0.000 0.000) 20.922 3.858 ( -9.112 0.000 0.000) 9.112 3.911 ( -2.040 0.000 0.000) 2.040 4.029 ( -15.689 0.000 0.000) 15.689 4.242 ( -3.085 0.000 0.000) 3.085 4.255 ( -7.865 0.000 0.000) 7.865 4.714 ( -3.011 0.000 0.000) 3.011 4.935 ( -7.134 0.000 0.000) 7.134 5.170 ( -11.997 0.000 0.000) 11.997 5.210 ( -6.971 0.000 0.000) 6.971 5.484 ( -18.845 0.000 0.000) 18.845 6.251 ( -9.484 0.000 0.000) 9.484 6.586 ( -23.101 0.000 0.000) 23.101 6.806 ( -19.708 0.000 0.000) 19.708 7.432 ( -27.986 0.000 0.000) 27.986 7.694 ( -10.867 0.000 0.000) 10.867 7.912 ( -19.172 0.000 0.000) 19.172 8.290 ( -16.683 0.000 0.000) 16.683 8.366 ( -11.635 0.000 0.000) 11.635 8.761 ( 14.378 -0.000 0.000) 14.378 8.873 ( -25.177 0.000 0.000) 25.177 8.906 ( -16.523 0.000 0.000) 16.523 9.413 ( -8.286 0.000 0.000) 8.286 10.358 ( -10.035 0.000 0.000) 10.035 10.506 ( 6.179 -0.000 0.000) 6.179 11.429 ( 23.286 -0.000 0.000) 23.286 12.747 ( -1.394 0.000 0.000) 1.394 12.763 ( 19.206 -0.000 0.000) 19.206 13.245 ( 20.385 -0.000 0.000) 20.385 13.513 ( 16.569 -0.000 0.000) 16.569 13.704 ( 30.269 -0.000 0.000) 30.269 14.293 ( 19.078 -0.000 0.000) 19.078 14.487 ( 3.771 -0.000 0.000) 3.771 15.124 ( 15.074 -0.000 0.000) 15.074 15.719 ( 14.457 -0.000 0.000) 14.457 16.169 ( -25.138 0.000 0.000) 25.138 16.245 ( 27.950 -0.000 0.000) 27.950 16.382 ( 18.263 -0.000 0.000) 18.263 16.770 ( -21.293 0.000 0.000) 21.293 17.129 ( -13.100 0.000 0.000) 13.100 17.885 ( 0.861 -0.000 0.000) 0.861 20.653 ( -32.339 0.000 0.000) 32.339 21.356 ( -41.576 0.000 0.000) 41.576 21.453 ( -14.172 0.000 0.000) 14.172 21.481 ( -38.147 0.000 0.000) 38.147 21.907 ( -24.563 0.000 0.000) 24.563 22.713 ( -6.289 0.000 0.000) 6.289 ======================= Grid point 73 (45/147) ======================= q-point: (-0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( -39.338 2.689 0.000) 39.430 2.958 ( -20.563 6.758 0.000) 21.645 3.733 ( -4.180 4.373 0.000) 6.049 3.805 ( -5.658 -4.688 0.000) 7.348 3.850 ( -2.567 3.491 0.000) 4.334 4.089 ( -5.242 4.952 0.000) 7.211 4.305 ( 2.370 -12.348 0.000) 12.573 4.624 ( -8.604 -0.626 0.000) 8.627 4.764 ( -10.267 0.094 0.000) 10.268 4.909 ( -8.193 8.036 0.000) 11.476 5.109 ( -10.711 -12.920 0.000) 16.782 5.158 ( -10.724 10.146 0.000) 14.763 6.015 ( -31.130 4.296 0.000) 31.425 6.108 ( -10.420 -14.193 0.000) 17.607 6.370 ( -19.762 18.898 0.000) 27.343 6.997 ( -16.330 2.955 0.000) 16.595 7.557 ( -3.114 3.818 0.000) 4.927 7.704 ( -9.628 -20.075 0.000) 22.264 7.865 ( -24.944 1.225 0.000) 24.974 8.113 ( -14.597 -0.173 0.000) 14.598 8.387 ( -18.546 12.415 0.000) 22.318 8.746 ( -7.332 -10.788 0.000) 13.044 9.038 ( 13.009 -1.858 0.000) 13.142 9.406 ( 5.711 -2.290 0.000) 6.153 10.147 ( -8.514 6.238 0.000) 10.555 10.616 ( 3.883 -2.267 0.000) 4.496 11.936 ( 27.004 -3.040 0.000) 27.175 12.714 ( -0.552 3.883 0.000) 3.922 13.161 ( 23.248 2.500 0.000) 23.382 13.641 ( 20.746 -1.459 0.000) 20.797 13.750 ( 8.747 0.958 0.000) 8.800 14.382 ( 38.476 1.709 0.000) 38.514 14.453 ( -14.466 8.308 0.000) 16.682 14.573 ( 1.527 -3.874 0.000) 4.164 15.014 ( -7.685 -0.740 0.000) 7.721 15.964 ( 10.329 -1.254 0.000) 10.405 15.977 ( -25.091 5.089 0.000) 25.602 16.258 ( 19.380 -10.564 0.000) 22.073 16.647 ( 1.434 9.944 0.000) 10.047 16.796 ( -12.391 -7.999 0.000) 14.749 17.181 ( 45.177 -1.313 0.000) 45.196 17.929 ( 3.509 -2.285 0.000) 4.187 19.916 ( -43.466 0.651 0.000) 43.471 20.499 ( -47.689 -0.352 0.000) 47.690 20.806 ( -30.969 -1.522 0.000) 31.006 20.961 ( -36.281 0.411 0.000) 36.283 21.590 ( -9.469 -1.121 0.000) 9.535 22.659 ( -0.110 -1.023 0.000) 1.029 ======================= Grid point 74 (46/147) ======================= q-point: (-0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -39.068 5.496 0.000) 39.453 2.543 ( -14.094 13.262 0.000) 19.353 3.680 ( 2.968 2.910 0.000) 4.156 3.775 ( -1.789 5.149 0.000) 5.451 3.847 ( 4.079 -0.038 0.000) 4.080 3.990 ( -1.889 3.415 0.000) 3.903 4.417 ( -12.008 -8.571 0.000) 14.754 4.481 ( 6.277 -10.400 0.000) 12.148 4.586 ( -6.706 0.784 0.000) 6.752 4.755 ( -6.238 3.750 0.000) 7.279 4.912 ( -7.518 11.950 0.000) 14.118 5.006 ( -7.198 -9.110 0.000) 11.610 5.479 ( -19.517 0.672 0.000) 19.529 5.819 ( -15.123 38.536 0.000) 41.397 6.086 ( -6.548 -26.306 0.000) 27.109 6.728 ( -8.230 6.829 0.000) 10.695 7.428 ( -17.096 2.890 0.000) 17.339 7.529 ( 1.286 2.384 0.000) 2.708 7.726 ( -4.346 -8.958 0.000) 9.957 7.908 ( -8.725 -19.148 0.000) 21.042 8.003 ( -10.292 16.623 0.000) 19.551 8.736 ( -3.048 -12.162 0.000) 12.538 9.257 ( 7.618 -2.729 0.000) 8.093 9.584 ( 7.977 -5.060 0.000) 9.447 9.967 ( -4.447 8.642 0.000) 9.719 10.680 ( 1.741 -0.452 0.000) 1.799 12.424 ( 18.198 -4.872 0.000) 18.839 12.679 ( 0.938 4.408 0.000) 4.507 13.596 ( 24.045 8.464 0.000) 25.491 13.750 ( -36.783 1.261 0.000) 36.805 13.856 ( 4.966 2.243 0.000) 5.449 14.055 ( 20.716 -1.625 0.000) 20.780 14.565 ( -5.061 -0.059 0.000) 5.061 15.011 ( 26.489 4.795 0.000) 26.920 15.063 ( -0.569 5.240 0.000) 5.271 15.478 ( -19.401 -15.682 0.000) 24.946 16.038 ( -17.725 -0.061 0.000) 17.725 16.210 ( -8.329 0.261 0.000) 8.333 16.955 ( 40.411 -2.802 0.000) 40.508 17.005 ( 13.504 0.243 0.000) 13.506 18.085 ( 11.461 -4.006 0.000) 12.141 18.123 ( 51.367 2.983 0.000) 51.454 19.054 ( -43.977 -1.401 0.000) 43.999 19.594 ( -45.842 -3.094 0.000) 45.946 20.157 ( -46.771 -0.266 0.000) 46.772 20.373 ( -15.300 -1.412 0.000) 15.365 21.484 ( -3.734 -1.894 0.000) 4.187 22.696 ( 2.260 -1.106 0.000) 2.516 ======================= Grid point 75 (47/147) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -0.000 10.468 0.000) 10.468 2.279 ( -0.000 19.451 0.000) 19.451 3.715 ( -0.000 6.769 0.000) 6.769 3.746 ( -0.000 1.808 0.000) 1.808 3.827 ( -0.000 5.677 0.000) 5.677 3.956 ( -0.000 1.748 0.000) 1.748 4.450 ( 0.000 -18.840 0.000) 18.840 4.480 ( -0.000 11.395 0.000) 11.395 4.607 ( -0.000 0.044 0.000) 0.044 4.689 ( 0.000 -16.872 0.000) 16.872 4.715 ( -0.000 7.139 0.000) 7.139 5.022 ( 0.000 -7.938 0.000) 7.938 5.290 ( -0.000 55.032 0.000) 55.032 5.324 ( 0.000 -5.330 0.000) 5.330 6.247 ( 0.000 -33.038 0.000) 33.038 6.593 ( -0.000 7.972 0.000) 7.972 7.227 ( -0.000 4.950 0.000) 4.950 7.520 ( -0.000 5.997 0.000) 5.997 7.652 ( -0.000 4.646 0.000) 4.646 7.769 ( -0.000 19.650 0.000) 19.650 8.075 ( 0.000 -35.004 0.000) 35.004 8.797 ( 0.000 -12.228 0.000) 12.228 9.354 ( 0.000 -3.480 0.000) 3.480 9.717 ( 0.000 -7.846 0.000) 7.846 9.855 ( -0.000 10.578 0.000) 10.578 10.691 ( -0.000 1.794 0.000) 1.794 12.549 ( -0.000 8.493 0.000) 8.493 12.761 ( 0.000 -10.770 0.000) 10.770 13.343 ( 0.000 -0.249 0.000) 0.249 13.746 ( -0.000 15.394 0.000) 15.394 13.991 ( -0.000 5.361 0.000) 5.361 14.320 ( 0.000 -0.561 0.000) 0.561 14.403 ( 0.000 -0.115 0.000) 0.115 14.994 ( 0.000 -5.363 0.000) 5.363 15.237 ( -0.000 5.986 0.000) 5.986 15.470 ( 0.000 -15.777 0.000) 15.777 15.698 ( 0.000 -0.111 0.000) 0.111 16.231 ( 0.000 -2.772 0.000) 2.772 17.144 ( -0.000 2.950 0.000) 2.950 17.537 ( 0.000 -0.079 0.000) 0.079 18.318 ( -0.000 0.020 0.000) 0.020 18.359 ( -0.000 3.568 0.000) 3.568 19.066 ( 0.000 -10.100 0.000) 10.100 19.096 ( 0.000 -0.031 0.000) 0.031 19.314 ( 0.000 -3.308 0.000) 3.308 20.238 ( 0.000 -1.423 0.000) 1.423 21.464 ( 0.000 -2.060 0.000) 2.060 22.731 ( 0.000 -1.426 0.000) 1.426 ======================= Grid point 86 (48/147) ======================= q-point: (-0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -38.345 0.000 0.000) 38.345 2.642 ( -13.818 0.000 0.000) 13.818 3.707 ( 1.783 -0.000 0.000) 1.783 3.812 ( -2.458 0.000 0.000) 2.458 3.843 ( 8.476 -0.000 0.000) 8.476 4.035 ( -2.013 0.000 0.000) 2.013 4.348 ( -16.370 0.000 0.000) 16.370 4.373 ( 7.363 -0.000 0.000) 7.363 4.584 ( -7.525 0.000 0.000) 7.525 4.823 ( -13.659 0.000 0.000) 13.659 4.888 ( -0.292 0.000 0.000) 0.292 5.055 ( -4.733 0.000 0.000) 4.733 5.482 ( -21.399 0.000 0.000) 21.399 5.856 ( -9.217 0.000 0.000) 9.217 6.159 ( -11.465 0.000 0.000) 11.465 6.808 ( -6.043 0.000 0.000) 6.043 7.450 ( -16.875 0.000 0.000) 16.875 7.453 ( -2.915 0.000 0.000) 2.915 7.609 ( 1.089 -0.000 0.000) 1.089 7.839 ( -12.369 0.000 0.000) 12.369 8.151 ( -10.327 0.000 0.000) 10.327 8.622 ( -2.532 0.000 0.000) 2.532 9.236 ( 7.881 -0.000 0.000) 7.881 9.548 ( 7.860 -0.000 0.000) 7.860 10.035 ( -4.902 0.000 0.000) 4.902 10.672 ( 2.325 -0.000 0.000) 2.325 12.382 ( 18.763 -0.000 0.000) 18.763 12.718 ( -0.402 0.000 0.000) 0.402 13.652 ( 27.068 -0.000 0.000) 27.068 13.745 ( -33.844 0.000 0.000) 33.844 13.899 ( -1.630 0.000 0.000) 1.630 14.043 ( 21.435 -0.000 0.000) 21.435 14.554 ( -2.903 0.000 0.000) 2.903 15.048 ( 26.617 -0.000 0.000) 26.617 15.157 ( 9.618 -0.000 0.000) 9.618 15.309 ( -33.235 0.000 0.000) 33.235 16.036 ( -14.645 0.000 0.000) 14.645 16.215 ( -13.382 0.000 0.000) 13.382 16.936 ( 42.184 -0.000 0.000) 42.184 17.006 ( 15.318 -0.000 0.000) 15.318 18.053 ( 12.195 -0.000 0.000) 12.195 18.145 ( 53.786 -0.000 0.000) 53.786 19.045 ( -46.066 0.000 0.000) 46.066 19.571 ( -47.282 0.000 0.000) 47.282 20.155 ( -47.034 0.000 0.000) 47.034 20.363 ( -14.768 0.000 0.000) 14.768 21.468 ( -3.747 0.000 0.000) 3.747 22.688 ( 2.443 -0.000 0.000) 2.443 ======================= Grid point 88 (49/147) ======================= q-point: (-0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -0.000 3.700 0.000) 3.700 2.476 ( -0.000 7.156 0.000) 7.156 3.765 ( -0.000 0.640 0.000) 0.640 3.778 ( -0.000 1.899 0.000) 1.899 3.936 ( -0.000 8.228 0.000) 8.228 4.006 ( -0.000 3.765 0.000) 3.765 4.201 ( 0.000 -13.388 0.000) 13.388 4.493 ( 0.000 -8.569 0.000) 8.569 4.512 ( 0.000 -1.101 0.000) 1.101 4.624 ( -0.000 1.545 0.000) 1.545 4.911 ( 0.000 -5.341 0.000) 5.341 4.946 ( -0.000 15.674 0.000) 15.674 5.284 ( 0.000 -0.945 0.000) 0.945 5.833 ( 0.000 -20.110 0.000) 20.110 5.939 ( -0.000 27.886 0.000) 27.886 6.715 ( -0.000 8.633 0.000) 8.633 7.276 ( -0.000 1.673 0.000) 1.673 7.522 ( 0.000 -14.474 0.000) 14.474 7.642 ( 0.000 -10.075 0.000) 10.075 7.697 ( -0.000 1.574 0.000) 1.574 8.009 ( -0.000 11.107 0.000) 11.107 8.631 ( 0.000 -8.454 0.000) 8.454 9.319 ( 0.000 -1.222 0.000) 1.222 9.641 ( 0.000 -2.624 0.000) 2.624 9.971 ( -0.000 4.566 0.000) 4.566 10.696 ( 0.000 -0.343 0.000) 0.343 12.580 ( 0.000 -2.162 0.000) 2.162 12.708 ( -0.000 1.332 0.000) 1.332 13.341 ( 0.000 -0.090 0.000) 0.090 13.902 ( -0.000 5.618 0.000) 5.618 14.057 ( -0.000 2.894 0.000) 2.894 14.316 ( 0.000 -0.102 0.000) 0.102 14.402 ( 0.000 -0.042 0.000) 0.042 14.953 ( 0.000 -0.618 0.000) 0.618 15.284 ( 0.000 -8.147 0.000) 8.147 15.301 ( -0.000 2.442 0.000) 2.442 15.696 ( 0.000 -0.040 0.000) 0.040 16.204 ( 0.000 -0.953 0.000) 0.953 17.175 ( -0.000 1.106 0.000) 1.106 17.536 ( 0.000 -0.029 0.000) 0.029 18.318 ( -0.000 0.007 0.000) 0.007 18.404 ( -0.000 1.927 0.000) 1.927 18.955 ( 0.000 -4.288 0.000) 4.288 19.095 ( 0.000 -0.011 0.000) 0.011 19.279 ( 0.000 -1.377 0.000) 1.377 20.227 ( 0.000 -0.277 0.000) 0.277 21.437 ( 0.000 -1.134 0.000) 1.134 22.718 ( 0.000 -0.437 0.000) 0.437 ======================= Grid point 175 (50/147) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 0.000 0.000 39.490) 39.490 0.833 ( 0.000 0.000 43.302) 43.302 1.450 ( 0.000 0.000 75.363) 75.363 2.936 ( 0.000 0.000 -35.912) 35.912 2.948 ( 0.000 0.000 -29.227) 29.227 3.917 ( 0.000 0.000 17.810) 17.810 4.099 ( 0.000 0.000 5.911) 5.911 4.415 ( 0.000 0.000 34.247) 34.247 4.851 ( 0.000 0.000 -4.675) 4.675 4.925 ( 0.000 0.000 -8.143) 8.143 4.926 ( 0.000 0.000 -6.948) 6.948 5.383 ( 0.000 0.000 -33.946) 33.946 5.915 ( 0.000 0.000 2.807) 2.807 6.124 ( 0.000 0.000 -8.505) 8.505 6.179 ( 0.000 0.000 -5.300) 5.300 6.428 ( 0.000 0.000 -18.646) 18.646 6.666 ( 0.000 0.000 7.731) 7.731 7.044 ( 0.000 0.000 -3.140) 3.140 7.281 ( 0.000 0.000 29.959) 29.959 8.378 ( 0.000 0.000 -7.239) 7.239 8.802 ( 0.000 0.000 10.352) 10.352 9.178 ( 0.000 0.000 -1.603) 1.603 9.651 ( 0.000 0.000 4.358) 4.358 10.119 ( 0.000 0.000 -5.136) 5.136 10.544 ( 0.000 0.000 4.730) 4.730 11.359 ( 0.000 0.000 -22.233) 22.233 12.266 ( 0.000 0.000 22.520) 22.520 13.250 ( 0.000 0.000 -12.836) 12.836 13.428 ( 0.000 0.000 6.865) 6.865 13.927 ( 0.000 0.000 10.017) 10.017 14.235 ( 0.000 0.000 -15.879) 15.879 14.270 ( 0.000 0.000 -2.019) 2.019 14.560 ( 0.000 0.000 5.961) 5.961 15.141 ( 0.000 0.000 3.218) 3.218 15.241 ( 0.000 0.000 -12.766) 12.766 15.441 ( 0.000 0.000 -3.920) 3.920 15.927 ( 0.000 0.000 20.514) 20.514 16.338 ( 0.000 0.000 12.384) 12.384 17.115 ( 0.000 0.000 -8.534) 8.534 17.323 ( 0.000 0.000 -19.919) 19.919 18.471 ( 0.000 0.000 12.980) 12.980 18.653 ( 0.000 0.000 1.557) 1.557 18.700 ( 0.000 0.000 0.564) 0.564 19.055 ( 0.000 0.000 -4.609) 4.609 20.771 ( 0.000 0.000 0.715) 0.715 20.825 ( 0.000 0.000 -0.598) 0.598 20.930 ( 0.000 0.000 0.343) 0.343 20.972 ( 0.000 0.000 -0.659) 0.659 ======================= Grid point 176 (51/147) ======================= q-point: ( 0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 11.019 -32.672 28.216) 44.554 1.128 ( 27.873 -5.611 26.133) 38.618 2.060 ( 47.384 -7.657 54.690) 72.766 2.949 ( 0.823 -1.281 -29.057) 29.097 2.977 ( 3.357 -5.602 -34.801) 35.408 3.946 ( 3.151 0.064 18.553) 18.819 4.112 ( 1.504 -0.335 7.008) 7.175 4.406 ( 2.346 3.842 31.647) 31.965 4.932 ( 5.148 4.496 -5.113) 8.536 4.959 ( 3.299 -0.194 -1.985) 3.855 5.011 ( 7.849 -3.981 -0.883) 8.845 5.558 ( 17.061 -2.609 -40.552) 44.072 5.924 ( 4.056 8.023 -2.225) 9.261 6.177 ( 11.519 15.969 -7.408) 21.037 6.299 ( 14.181 3.735 -4.384) 15.306 6.526 ( 6.537 -9.480 -16.412) 20.049 6.715 ( 3.944 -6.154 10.337) 12.660 7.168 ( 9.845 -5.006 -5.812) 12.480 7.491 ( 19.336 -2.456 25.300) 31.938 8.380 ( 5.115 11.016 -1.175) 12.202 8.832 ( 0.429 -7.854 6.934) 10.486 9.105 ( -5.658 2.359 -1.175) 6.241 9.568 ( -7.834 1.150 4.892) 9.307 10.131 ( 0.873 0.779 -8.748) 8.826 10.480 ( -12.589 0.953 17.117) 21.269 10.768 ( -57.321 26.226 75.640) 98.463 11.375 ( -9.580 -11.808 -16.017) 22.085 12.220 ( -14.823 -13.974 18.729) 27.673 13.406 ( -15.739 12.410 -12.665) 23.710 13.706 ( -33.685 -9.344 -14.204) 37.732 13.885 ( -11.500 2.965 9.616) 15.281 14.259 ( -9.214 -0.197 -5.639) 10.804 14.485 ( 0.461 5.728 5.488) 7.946 15.060 ( -3.624 4.933 9.101) 10.968 15.197 ( -8.232 -3.539 -8.129) 12.098 15.821 ( -3.847 -2.835 -13.210) 14.048 16.200 ( 14.011 0.808 8.387) 16.349 16.346 ( -3.157 -0.440 6.506) 7.245 17.208 ( 11.025 6.203 -5.321) 13.723 17.243 ( 7.984 -1.230 -0.687) 8.108 17.989 ( -20.222 -4.236 1.884) 20.747 18.261 ( -23.444 6.967 -1.633) 24.512 19.571 ( 42.993 -1.997 1.136) 43.055 19.622 ( 39.346 2.676 0.233) 39.437 20.886 ( 15.931 18.655 -1.275) 24.565 20.904 ( 19.803 19.747 -1.079) 27.987 21.111 ( 8.316 -14.392 3.772) 17.044 22.205 ( 46.437 -20.148 -55.137) 74.849 ======================= Grid point 177 (52/147) ======================= q-point: ( 0.15 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 17.198 -37.496 16.609) 44.470 1.796 ( 33.488 -8.477 13.181) 36.974 3.007 ( 24.122 -5.534 -2.882) 24.916 3.081 ( 21.648 -7.891 -6.991) 24.078 3.201 ( 22.548 -8.669 -14.637) 28.245 4.043 ( 7.099 -0.564 18.969) 20.262 4.174 ( 4.148 -2.292 9.439) 10.562 4.477 ( 8.950 7.012 27.980) 30.202 4.953 ( -0.074 2.090 4.872) 5.301 5.033 ( 4.288 -1.573 -4.426) 6.360 5.192 ( 7.388 0.295 0.316) 7.401 5.896 ( 9.606 10.152 -16.988) 21.999 6.063 ( 21.440 -1.719 -28.883) 36.012 6.336 ( 16.421 12.869 -13.626) 24.918 6.621 ( 24.324 13.470 -1.391) 27.839 6.805 ( 16.195 -3.449 -11.809) 20.338 6.954 ( 15.691 -12.347 12.209) 23.403 7.471 ( 15.986 -10.463 -6.294) 20.116 7.978 ( 28.250 -1.685 19.159) 34.176 8.448 ( 12.505 15.050 6.419) 20.593 8.947 ( 4.556 -10.596 0.796) 11.561 8.973 ( -4.752 4.857 -1.931) 7.064 9.371 ( -10.503 1.134 6.419) 12.361 9.945 ( -15.309 1.271 41.037) 43.818 10.110 ( -1.415 6.911 -7.819) 10.531 10.585 ( 7.448 1.891 10.421) 12.948 11.296 ( -9.310 -11.373 -14.490) 20.640 11.944 ( -23.831 -13.920 2.022) 27.673 12.871 ( -21.609 12.111 -4.285) 25.140 13.263 ( -26.636 -12.657 -5.981) 30.091 13.608 ( -13.114 2.838 7.283) 15.267 14.068 ( -9.491 -1.506 -12.590) 15.839 14.431 ( -7.575 -7.157 2.608) 10.743 14.911 ( -8.004 6.910 4.308) 11.418 15.027 ( -11.424 -2.721 1.226) 11.808 15.604 ( -15.016 2.608 -5.028) 16.049 16.230 ( -8.997 -1.434 4.212) 10.037 16.237 ( -7.120 1.797 1.608) 7.517 17.362 ( 7.770 13.147 0.072) 15.271 17.435 ( 10.876 5.994 0.669) 12.436 17.791 ( -5.100 -11.204 -2.103) 12.489 17.830 ( -14.856 9.637 -1.053) 17.739 20.329 ( 36.882 7.710 3.076) 37.805 20.402 ( 42.380 -2.237 1.220) 42.457 21.136 ( 20.791 9.811 -1.946) 23.072 21.179 ( 15.751 2.794 -5.271) 16.843 21.522 ( 27.114 -5.244 11.717) 29.999 22.769 ( 14.820 -0.798 -27.279) 31.055 ======================= Grid point 178 (53/147) ======================= q-point: ( 0.23 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 19.570 -29.857 10.813) 37.300 2.466 ( 29.127 -9.576 10.393) 32.374 3.298 ( 15.535 -3.665 -23.729) 28.597 3.489 ( 17.352 -8.947 -26.882) 33.223 4.013 ( 35.613 -10.917 20.448) 42.492 4.248 ( 13.016 -6.356 16.261) 21.777 4.300 ( 6.470 -4.013 11.832) 14.070 4.621 ( 11.568 9.661 22.354) 26.960 4.925 ( -1.113 1.006 7.359) 7.511 5.141 ( 5.228 -4.603 -4.394) 8.236 5.279 ( 3.191 1.494 4.302) 5.560 5.921 ( 5.634 16.907 -6.339) 18.915 6.500 ( 16.896 -7.595 -26.357) 32.216 6.622 ( 18.750 3.915 -20.055) 27.732 6.972 ( 24.968 23.145 -1.797) 34.093 7.153 ( 21.107 3.595 -10.302) 23.760 7.484 ( 28.386 -10.851 8.838) 31.648 7.905 ( 18.695 -12.895 -4.782) 23.209 8.484 ( 19.826 2.127 14.817) 24.842 8.642 ( 16.861 12.926 4.166) 21.651 8.865 ( 2.544 4.542 0.657) 5.248 9.117 ( -0.016 -3.356 0.253) 3.366 9.276 ( 8.137 -4.074 6.492) 11.178 9.781 ( -5.420 -4.617 25.806) 26.770 10.033 ( 1.225 10.412 -5.988) 12.073 10.722 ( 3.726 5.133 5.094) 8.135 11.237 ( -2.440 -16.565 -6.712) 18.039 11.641 ( -15.837 -14.910 -15.082) 26.469 12.449 ( -17.498 5.928 7.725) 20.025 12.886 ( -19.795 -10.605 -0.502) 22.462 13.377 ( -9.475 0.457 4.771) 10.618 13.929 ( -6.561 -0.394 -17.981) 19.144 14.284 ( -14.391 -9.738 0.611) 17.387 14.673 ( -10.966 6.754 1.954) 13.026 14.793 ( -14.935 -0.236 4.775) 15.681 15.269 ( -16.210 4.651 -3.010) 17.130 15.987 ( -15.609 2.144 2.181) 15.906 16.027 ( -14.572 -2.840 1.464) 14.918 17.329 ( -0.079 6.830 3.407) 7.633 17.543 ( -2.405 10.860 -1.442) 11.216 17.603 ( 6.232 6.784 1.363) 9.312 17.839 ( 0.690 -5.139 -4.421) 6.814 20.865 ( 25.537 9.218 4.530) 27.525 21.177 ( 33.767 -1.411 -2.644) 33.900 21.378 ( 14.010 1.957 1.112) 14.189 21.617 ( 26.694 -4.456 -5.603) 27.637 22.123 ( 32.172 2.635 10.471) 33.935 22.970 ( 8.588 1.795 -12.476) 15.252 ======================= Grid point 179 (54/147) ======================= q-point: ( 0.31 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( 17.780 -18.840 7.898) 27.082 3.026 ( 22.402 -8.118 9.588) 25.684 3.647 ( 16.852 -4.743 -19.776) 26.411 3.877 ( 17.255 -3.845 -21.427) 27.778 4.454 ( 7.832 -3.757 13.851) 16.349 4.503 ( 13.701 -7.327 4.044) 16.055 4.669 ( 11.693 -4.776 14.174) 18.985 4.756 ( 10.259 -1.426 11.094) 15.178 4.922 ( 2.363 1.351 10.299) 10.653 5.324 ( 5.218 -2.173 10.731) 12.129 5.363 ( 10.825 -11.134 -3.193) 15.854 5.890 ( 4.594 16.223 -0.582) 16.870 6.823 ( 9.797 -10.687 -19.621) 24.397 6.914 ( 14.355 4.324 -13.779) 20.362 7.193 ( 17.635 28.254 -1.036) 33.322 7.544 ( 21.666 7.187 -17.971) 29.052 8.078 ( 23.218 -4.514 6.732) 24.592 8.248 ( 8.739 -7.046 1.374) 11.310 8.666 ( 2.533 6.012 -2.701) 7.061 8.753 ( 12.040 1.113 -4.772) 12.999 9.094 ( 8.556 -0.037 10.315) 13.402 9.242 ( 21.857 3.247 12.716) 25.494 9.608 ( 17.035 -4.758 3.343) 18.000 9.792 ( 3.298 -6.740 14.136) 16.004 10.030 ( 6.439 10.780 -0.009) 12.557 10.635 ( -5.186 0.190 4.972) 7.186 11.482 ( 9.427 -6.544 -9.081) 14.635 11.573 ( 0.375 -14.507 -16.594) 22.044 12.131 ( -12.061 -2.737 11.840) 17.121 12.675 ( -10.128 -8.398 2.642) 13.420 13.252 ( -3.618 -0.782 3.652) 5.200 13.786 ( -7.632 5.551 -16.726) 19.204 14.033 ( -17.342 -6.241 -2.144) 18.555 14.407 ( -20.930 -2.612 -8.728) 22.827 14.440 ( -13.049 8.060 15.021) 21.468 14.981 ( -10.008 2.695 -4.007) 11.112 15.648 ( -17.632 1.779 3.070) 17.985 15.720 ( -19.736 -3.897 0.814) 20.133 17.302 ( 0.407 1.768 2.925) 3.442 17.429 ( -0.108 8.816 -0.142) 8.818 17.713 ( 7.714 6.067 0.289) 9.818 17.867 ( 0.076 -1.290 -3.439) 3.674 21.196 ( 15.610 5.589 3.452) 16.937 21.438 ( 5.535 2.072 -2.512) 6.422 21.926 ( 31.224 -3.107 2.058) 31.446 22.166 ( 25.407 -5.456 -4.690) 26.406 22.644 ( 24.266 4.609 6.530) 25.548 23.098 ( 5.988 1.293 -5.450) 8.199 ======================= Grid point 180 (55/147) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.077 ( 12.459 -9.371 6.698) 16.967 3.427 ( 14.587 -4.735 7.760) 17.187 3.976 ( 13.287 -5.000 -14.484) 20.282 4.172 ( 11.882 -0.132 -17.655) 21.282 4.612 ( 5.623 -4.341 13.857) 15.572 4.671 ( -1.772 4.038 4.776) 6.500 4.745 ( 6.947 0.149 -0.374) 6.959 4.920 ( -1.137 -1.181 4.386) 4.682 5.089 ( 11.715 -13.278 8.080) 19.464 5.436 ( 5.723 -1.321 16.218) 17.248 5.668 ( 6.918 2.212 -4.288) 8.435 5.977 ( 11.911 -12.870 6.181) 18.593 6.994 ( 2.369 -5.231 -12.075) 13.371 7.119 ( 9.987 4.330 -11.889) 16.120 7.246 ( 10.518 29.903 1.011) 31.715 7.789 ( 8.801 6.864 -15.121) 18.794 8.261 ( 3.256 -0.572 -5.989) 6.840 8.423 ( -0.731 2.873 2.248) 3.720 8.778 ( 15.425 -3.507 -7.344) 17.440 9.036 ( 12.918 -2.154 4.151) 13.739 9.283 ( 10.292 -0.618 5.661) 11.762 9.617 ( 17.412 0.784 13.624) 22.123 9.896 ( 8.309 -8.258 11.293) 16.272 9.988 ( 11.273 4.707 -2.058) 12.389 10.136 ( 12.050 4.156 7.352) 14.714 10.606 ( -0.320 -3.173 5.198) 6.098 11.475 ( -1.757 7.154 -6.529) 9.843 11.836 ( 7.916 -10.817 -13.983) 19.370 12.163 ( 8.589 -15.038 5.026) 18.033 12.607 ( -2.071 -5.312 5.104) 7.652 13.235 ( 0.277 2.556 1.033) 2.771 13.533 ( -10.994 9.211 -6.625) 15.798 13.712 ( -20.721 3.293 -5.674) 21.735 13.932 ( -22.039 -3.607 1.026) 22.356 14.265 ( -5.471 0.732 2.971) 6.268 14.836 ( -5.046 0.102 -6.543) 8.264 15.311 ( -16.294 0.869 3.134) 16.615 15.371 ( -17.634 -3.109 1.204) 17.946 17.308 ( 0.572 -0.201 2.096) 2.182 17.398 ( 1.836 5.649 -0.069) 5.940 17.801 ( 5.168 3.695 -0.096) 6.354 17.872 ( 0.127 0.102 -1.965) 1.972 21.396 ( 8.615 2.472 1.949) 9.172 21.499 ( 2.531 1.196 -0.615) 2.866 22.469 ( 22.726 -3.432 0.919) 23.002 22.628 ( 18.754 -4.267 -3.570) 19.562 22.960 ( 12.096 4.299 3.711) 13.363 23.170 ( 2.041 0.829 -2.021) 2.990 ======================= Grid point 181 (56/147) ======================= q-point: ( 0.46 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.284 ( 4.520 -2.707 6.507) 8.373 3.641 ( 5.206 -1.471 5.558) 7.756 4.201 ( 6.186 -3.181 -9.057) 11.420 4.325 ( 4.274 0.826 -17.254) 17.795 4.583 ( -2.980 2.162 4.406) 5.741 4.735 ( 3.134 -3.872 11.404) 12.445 4.819 ( 2.404 3.172 1.975) 4.443 4.876 ( -2.481 0.018 0.084) 2.482 5.377 ( 6.364 -14.072 2.107) 15.588 5.510 ( 0.869 2.745 7.928) 8.434 5.660 ( 1.482 9.184 12.923) 15.923 6.349 ( 7.308 -18.982 0.154) 20.341 7.020 ( 0.854 4.378 -7.778) 8.966 7.191 ( 2.474 13.992 3.163) 14.557 7.218 ( 3.079 2.994 -11.471) 12.248 7.833 ( 0.924 2.003 -10.298) 10.532 8.289 ( -1.611 -1.395 -1.833) 2.811 8.373 ( 0.875 2.986 -13.885) 14.229 9.069 ( 8.697 -3.311 -4.487) 10.331 9.210 ( 4.324 0.792 15.323) 15.941 9.442 ( 4.376 -1.438 -5.239) 6.976 9.891 ( 9.726 -2.357 12.247) 15.815 9.993 ( 2.346 6.979 -4.166) 8.460 10.121 ( 1.581 -6.480 22.219) 23.199 10.365 ( 11.207 3.126 1.586) 11.742 10.583 ( -4.826 -2.147 6.145) 8.103 11.423 ( 1.328 4.479 -2.234) 5.178 12.022 ( 3.816 -5.842 -21.956) 23.038 12.478 ( 9.740 -11.881 1.511) 15.438 12.715 ( 12.204 -0.461 9.517) 15.483 13.033 ( -16.594 3.181 -2.593) 17.094 13.221 ( -18.661 9.619 -6.669) 22.028 13.460 ( 5.607 2.922 2.379) 6.755 13.683 ( -9.726 -3.882 4.269) 11.309 14.200 ( -1.709 -0.678 -1.811) 2.581 14.765 ( -2.517 -0.344 -8.628) 8.994 15.063 ( -7.473 -0.120 3.433) 8.225 15.150 ( -6.421 -0.662 1.021) 6.535 17.319 ( 0.241 -0.276 1.637) 1.677 17.400 ( 0.937 1.905 -0.179) 2.131 17.852 ( 1.872 1.163 -0.314) 2.226 17.873 ( 0.084 0.217 -1.050) 1.075 21.493 ( 2.829 0.780 1.076) 3.125 21.524 ( 0.703 0.232 0.224) 0.773 22.826 ( 11.347 -3.216 -0.171) 11.796 22.920 ( 8.279 -1.021 -3.479) 9.038 23.057 ( 2.017 1.911 3.007) 4.094 23.154 ( -2.714 1.194 -0.088) 2.966 ======================= Grid point 189 (57/147) ======================= q-point: ( 0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 23.635 -0.000 22.777) 32.824 1.734 ( 34.423 -0.000 14.338) 37.290 2.961 ( 36.687 -0.000 14.974) 39.625 3.031 ( 9.088 -0.000 -26.513) 28.027 3.137 ( 24.432 -0.000 -15.025) 28.682 4.042 ( 6.763 -0.000 21.110) 22.167 4.155 ( 3.478 -0.000 7.811) 8.550 4.533 ( 9.432 -0.000 31.163) 32.559 4.965 ( -1.473 0.000 7.789) 7.927 5.021 ( 3.828 -0.000 -8.414) 9.244 5.194 ( 8.363 -0.000 -0.844) 8.406 5.960 ( 22.453 -0.000 -39.557) 45.486 6.067 ( 7.746 -0.000 -10.019) 12.664 6.463 ( 8.865 -0.000 -16.213) 18.478 6.677 ( 28.216 -0.000 -0.378) 28.218 6.810 ( 23.382 -0.000 -2.428) 23.508 6.855 ( 15.646 -0.000 8.538) 17.824 7.377 ( 13.698 -0.000 -6.453) 15.142 7.966 ( 29.316 -0.000 18.674) 34.758 8.596 ( 13.043 -0.000 -0.722) 13.063 8.829 ( 3.537 -0.000 6.778) 7.646 9.010 ( -4.666 0.000 -2.078) 5.107 9.378 ( -11.189 0.000 7.040) 13.220 9.957 ( -18.496 0.000 43.123) 46.922 10.161 ( -0.371 0.000 -8.117) 8.125 10.608 ( 6.471 -0.000 11.527) 13.220 11.207 ( -8.309 0.000 -14.907) 17.067 11.833 ( -22.757 0.000 5.486) 23.409 13.022 ( -25.626 0.000 -7.512) 26.704 13.111 ( -23.914 0.000 -5.811) 24.609 13.636 ( -13.713 0.000 5.746) 14.868 14.056 ( -9.719 0.000 -12.320) 15.692 14.369 ( -9.627 0.000 3.961) 10.410 14.975 ( -12.911 0.000 -11.888) 17.550 14.994 ( -5.982 0.000 17.122) 18.137 15.626 ( -13.971 0.000 -4.141) 14.571 16.220 ( -9.081 0.000 4.422) 10.101 16.250 ( -7.291 0.000 1.794) 7.509 17.458 ( 12.032 -0.000 -0.479) 12.042 17.548 ( 15.095 -0.000 -3.285) 15.449 17.641 ( -13.327 0.000 3.149) 13.694 17.905 ( -16.031 0.000 -2.748) 16.265 20.383 ( 42.702 -0.000 1.301) 42.722 20.392 ( 38.019 -0.000 1.499) 38.048 21.188 ( 9.570 -0.000 0.112) 9.571 21.225 ( 13.974 -0.000 -1.037) 14.013 21.485 ( 34.053 -0.000 7.435) 34.855 22.758 ( 17.581 -0.000 -31.425) 36.008 ======================= Grid point 190 (58/147) ======================= q-point: ( 0.15 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 28.512 -14.663 15.188) 35.477 2.375 ( 30.719 -3.161 10.925) 32.756 3.280 ( 16.603 0.847 -23.187) 28.531 3.371 ( 18.881 -6.040 -30.854) 36.674 3.905 ( 37.748 -3.729 21.382) 43.543 4.203 ( 9.955 -0.761 20.122) 22.463 4.252 ( 5.834 -2.154 8.470) 10.507 4.740 ( 12.980 5.532 27.985) 31.341 4.925 ( -2.387 -0.810 8.596) 8.957 5.086 ( 2.438 -2.411 -7.920) 8.631 5.293 ( 2.849 0.502 2.588) 3.882 6.152 ( 7.806 14.497 -14.047) 21.643 6.355 ( 12.285 -11.496 -25.078) 30.199 6.675 ( 14.910 2.233 -16.944) 22.681 7.196 ( 27.519 6.907 -1.808) 28.430 7.301 ( 27.337 15.244 -2.659) 31.412 7.334 ( 31.654 -8.978 3.840) 33.126 7.706 ( 16.726 -12.580 -5.016) 21.522 8.506 ( 23.222 0.826 14.764) 27.530 8.817 ( 11.186 9.996 0.011) 15.002 8.924 ( 1.460 3.286 -0.778) 3.679 9.021 ( 8.942 -8.635 -0.839) 12.459 9.233 ( 0.971 -1.530 12.379) 12.511 9.736 ( -7.093 -1.513 29.023) 29.915 10.142 ( 0.973 4.077 -8.616) 9.582 10.823 ( 10.515 7.763 3.798) 13.611 11.026 ( -8.441 -11.380 -2.123) 14.327 11.466 ( -14.422 -7.309 -12.536) 20.459 12.571 ( -19.874 9.686 2.093) 22.208 12.730 ( -17.813 -10.500 0.313) 20.680 13.395 ( -10.393 1.169 3.635) 11.072 13.922 ( -4.810 -0.393 -19.120) 19.720 14.164 ( -13.637 -5.038 3.268) 14.901 14.706 ( -15.178 -0.141 -9.786) 18.060 14.831 ( -10.344 2.861 16.334) 19.545 15.324 ( -16.085 2.245 -2.127) 16.380 15.998 ( -14.634 -0.822 2.574) 14.881 16.009 ( -16.137 0.610 1.208) 16.194 17.415 ( -5.930 4.046 3.011) 7.785 17.654 ( -1.944 4.194 -1.970) 5.025 17.670 ( 2.661 1.995 -0.330) 3.342 17.769 ( 5.520 -3.438 -3.158) 7.229 20.985 ( 24.652 5.752 3.137) 25.508 21.160 ( 36.168 -0.758 -1.231) 36.196 21.387 ( 11.333 -0.815 1.548) 11.467 21.567 ( 23.241 -1.551 -3.081) 23.496 22.153 ( 33.874 1.204 7.574) 34.731 22.982 ( 8.061 0.146 -13.998) 16.154 ======================= Grid point 191 (59/147) ======================= q-point: ( 0.23 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 27.158 -13.328 10.976) 32.182 2.934 ( 24.761 -4.378 9.822) 26.996 3.614 ( 17.847 0.210 -20.111) 26.889 3.804 ( 20.293 -5.879 -26.908) 34.211 4.391 ( 7.091 -4.241 6.258) 10.364 4.421 ( 12.608 -2.984 16.302) 20.824 4.533 ( 20.258 -8.131 15.637) 26.852 4.822 ( -1.010 4.447 8.335) 9.501 4.962 ( 6.700 4.219 14.325) 16.367 5.194 ( 6.194 -9.063 -2.471) 11.252 5.333 ( 2.793 0.131 9.286) 9.698 6.144 ( 4.261 17.859 -8.034) 20.042 6.633 ( 6.952 -14.945 -18.739) 24.957 6.955 ( 14.725 1.752 -12.245) 19.231 7.589 ( 19.447 25.163 -1.279) 31.827 7.659 ( 24.370 8.223 -12.365) 28.538 7.986 ( 27.762 -7.268 3.323) 28.889 8.121 ( 13.067 -11.099 -0.346) 17.149 8.707 ( 2.505 0.685 1.341) 2.923 8.795 ( 0.481 3.398 -8.155) 8.848 9.089 ( 9.338 -0.343 12.653) 15.729 9.287 ( 20.038 2.181 8.675) 21.944 9.542 ( 19.764 -3.042 7.527) 21.366 9.707 ( 4.001 -4.607 16.573) 17.661 10.164 ( 5.194 6.804 -3.662) 9.310 10.649 ( -9.822 1.442 4.633) 10.955 11.337 ( 19.353 -9.549 -5.056) 22.165 11.405 ( 0.060 -9.267 -15.949) 18.446 12.162 ( -15.997 5.032 7.111) 18.216 12.554 ( -8.395 -7.694 3.972) 12.060 13.252 ( -3.326 0.615 3.329) 4.746 13.843 ( -4.455 2.378 -19.315) 19.965 13.926 ( -14.996 -6.668 0.866) 16.434 14.373 ( -21.499 -1.771 -7.196) 22.740 14.564 ( -12.968 7.195 13.967) 20.372 15.027 ( -11.760 2.808 -3.962) 12.724 15.668 ( -18.366 0.734 1.744) 18.463 15.679 ( -19.161 -1.653 1.919) 19.328 17.323 ( -2.025 1.197 3.210) 3.979 17.529 ( -2.735 4.691 -1.459) 5.623 17.782 ( 5.882 3.316 -0.463) 6.769 17.848 ( 1.771 -1.153 -2.663) 3.399 21.283 ( 12.973 5.594 2.987) 14.440 21.477 ( 6.308 2.682 -1.811) 7.089 21.887 ( 31.124 -2.076 1.931) 31.253 22.082 ( 25.426 -5.287 -3.092) 26.154 22.699 ( 24.107 2.770 4.589) 24.696 23.102 ( 4.811 -0.337 -5.577) 7.373 ======================= Grid point 192 (60/147) ======================= q-point: ( 0.31 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.973 ( 20.871 -5.012 8.423) 23.058 3.371 ( 17.745 -3.234 9.138) 20.220 3.927 ( 13.950 -1.398 -16.356) 21.542 4.166 ( 13.893 -1.109 -21.447) 25.578 4.546 ( 5.837 -4.469 10.412) 12.746 4.696 ( 10.555 -6.162 6.054) 13.639 4.722 ( -3.267 2.226 5.120) 6.468 4.834 ( 3.678 -7.803 6.779) 10.971 5.027 ( 4.134 3.197 6.851) 8.617 5.422 ( 5.455 -1.113 16.849) 17.745 5.471 ( 11.402 -17.690 -2.967) 21.254 6.079 ( 2.632 16.131 -0.463) 16.351 6.829 ( 2.266 -14.499 -13.007) 19.610 7.178 ( 9.719 2.811 -9.586) 13.937 7.696 ( 12.389 29.131 -0.358) 31.658 7.917 ( 8.106 10.081 -9.461) 16.026 8.254 ( 2.350 -0.398 -5.626) 6.110 8.410 ( 4.860 -4.464 4.278) 7.864 8.752 ( 9.935 -0.247 -10.348) 14.347 8.974 ( 12.666 -6.460 -5.020) 15.078 9.264 ( 7.549 -1.409 15.469) 17.271 9.627 ( 16.146 -0.777 13.755) 21.225 9.797 ( 8.856 -3.208 11.865) 15.149 10.020 ( 17.673 0.201 -0.629) 17.685 10.226 ( 6.845 6.457 2.955) 9.863 10.562 ( -1.011 -2.728 4.331) 5.217 11.527 ( 4.970 -1.130 -14.264) 15.147 11.709 ( 9.425 -5.995 -10.346) 15.226 11.987 ( 2.732 -7.904 9.739) 12.837 12.521 ( 0.251 -5.888 5.824) 8.285 13.247 ( 0.916 0.099 2.687) 2.841 13.603 ( -16.810 -0.246 -2.836) 17.049 13.759 ( -8.070 4.454 -9.370) 13.144 13.924 ( -22.218 0.704 -3.349) 22.480 14.298 ( -9.180 3.702 6.271) 11.718 14.849 ( -5.898 1.251 -7.306) 9.473 15.308 ( -18.147 -1.074 2.395) 18.335 15.352 ( -14.562 0.198 1.983) 14.698 17.304 ( -0.071 -0.300 2.723) 2.740 17.469 ( -0.734 3.917 -1.059) 4.123 17.846 ( 3.073 2.426 -0.600) 3.961 17.872 ( 0.633 -0.017 -1.608) 1.728 21.439 ( 6.875 3.010 1.971) 7.760 21.541 ( 3.531 4.055 -0.589) 5.409 22.423 ( 22.688 -2.751 0.950) 22.874 22.555 ( 19.407 -5.316 -2.412) 20.266 23.016 ( 11.292 3.198 2.160) 11.933 23.168 ( 1.379 -0.859 -1.715) 2.362 ======================= Grid point 193 (61/147) ======================= q-point: ( 0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.289 ( 11.423 3.088 6.804) 13.650 3.638 ( 8.794 0.686 7.147) 11.353 4.152 ( 7.682 -2.945 -11.216) 13.910 4.342 ( 4.815 1.101 -18.224) 18.881 4.609 ( -5.500 1.342 5.048) 7.585 4.669 ( 3.381 -4.396 11.936) 13.162 4.844 ( 2.366 -0.241 -3.687) 4.387 4.891 ( -0.471 0.564 4.834) 4.890 5.162 ( 5.922 -12.670 6.221) 15.307 5.513 ( 2.582 -0.794 15.152) 15.391 5.758 ( 3.955 -6.705 -5.860) 9.743 6.077 ( 5.227 -4.410 7.789) 10.366 6.935 ( -0.927 -12.115 -9.449) 15.392 7.270 ( 2.370 4.234 -8.936) 10.168 7.605 ( 0.656 33.370 0.593) 33.382 7.894 ( -1.029 6.119 -5.546) 8.322 8.245 ( -3.407 -3.315 -3.753) 6.057 8.416 ( -0.414 1.701 -10.843) 10.983 9.011 ( 9.916 -4.083 -6.160) 12.367 9.208 ( 6.120 -2.103 7.065) 9.581 9.384 ( 2.295 -5.824 3.200) 7.030 9.873 ( 4.963 0.914 6.026) 7.860 9.993 ( 11.402 -6.209 18.170) 22.332 10.131 ( -1.336 6.289 3.181) 7.173 10.382 ( 5.738 -0.901 2.855) 6.472 10.578 ( 1.938 1.427 5.191) 5.721 11.491 ( -4.341 4.759 -3.184) 7.186 11.926 ( 10.180 -7.044 -20.836) 24.236 12.281 ( 12.724 -13.834 2.931) 19.023 12.673 ( 12.233 -4.556 6.810) 14.723 13.057 ( -21.674 -0.205 2.951) 21.875 13.290 ( -17.246 2.054 -6.162) 18.429 13.577 ( 1.852 10.385 0.447) 10.558 13.684 ( -3.293 3.285 3.278) 5.691 14.184 ( -2.192 -1.308 -2.296) 3.434 14.765 ( -2.378 0.132 -9.725) 10.012 15.062 ( -6.628 0.163 3.743) 7.614 15.153 ( -5.046 0.844 1.276) 5.273 17.313 ( 0.441 -0.500 2.018) 2.125 17.429 ( -1.522 1.948 -0.600) 2.544 17.865 ( 0.000 0.613 -0.550) 0.824 17.877 ( -0.116 0.245 -0.956) 0.993 21.504 ( 1.646 1.200 1.414) 2.480 21.564 ( 2.202 4.382 -0.122) 4.906 22.777 ( 11.721 -3.217 0.311) 12.159 22.882 ( 10.812 -3.763 -2.740) 11.771 23.091 ( -0.576 2.513 1.775) 3.130 23.158 ( -3.097 -0.572 0.000) 3.150 ======================= Grid point 194 (62/147) ======================= q-point: (-0.54 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.369 ( 1.746 8.733 5.861) 10.661 3.686 ( -1.777 4.601 4.837) 6.908 4.226 ( -2.641 -0.080 -7.408) 7.865 4.332 ( -4.463 1.862 -15.764) 16.489 4.546 ( -0.381 -2.953 2.952) 4.193 4.722 ( -1.455 -4.354 11.125) 12.034 4.827 ( -3.869 2.634 4.388) 6.416 4.883 ( 2.624 1.533 -2.722) 4.080 5.341 ( 0.953 -15.314 3.274) 15.689 5.509 ( -2.885 2.073 9.377) 10.027 5.700 ( -4.816 10.795 8.655) 14.651 6.296 ( 2.592 -21.369 1.610) 21.586 6.984 ( -1.986 -9.072 -9.334) 13.167 7.164 ( -11.727 14.032 -5.626) 19.133 7.298 ( -6.392 14.565 0.132) 15.906 7.841 ( -1.668 3.282 -10.519) 11.145 8.244 ( 0.216 -6.062 -0.119) 6.067 8.375 ( -2.777 2.032 -15.560) 15.936 9.090 ( -5.138 -0.744 -5.444) 7.523 9.205 ( -5.354 0.518 17.524) 18.331 9.418 ( -4.525 -5.552 -6.154) 9.444 9.846 ( -8.791 -5.575 8.172) 13.234 9.984 ( -7.483 4.039 -0.690) 8.532 10.206 ( 6.084 3.473 21.266) 22.390 10.310 ( -12.764 -3.146 2.734) 13.427 10.634 ( 4.795 4.646 5.378) 8.573 11.364 ( -6.905 -3.441 -0.906) 7.768 12.094 ( 3.162 4.163 -22.323) 22.927 12.556 ( 3.511 -3.508 0.332) 4.974 12.695 ( -11.419 -1.967 8.604) 14.432 13.004 ( -5.458 -7.832 -12.823) 15.986 13.044 ( 18.432 -3.163 4.617) 19.263 13.490 ( -0.510 5.099 7.969) 9.474 13.781 ( 12.950 8.314 -0.994) 15.421 14.200 ( 2.250 -0.663 -2.159) 3.189 14.776 ( 3.645 0.944 -9.332) 10.064 15.067 ( 7.299 0.733 4.422) 8.566 15.173 ( 8.514 2.224 0.857) 8.841 17.320 ( -0.045 -0.076 1.314) 1.317 17.376 ( -3.813 -1.363 0.072) 4.050 17.832 ( -3.873 -1.571 -0.022) 4.180 17.871 ( -0.309 -0.078 -1.255) 1.295 21.487 ( -2.926 0.405 1.495) 3.311 21.556 ( -0.010 3.912 -0.232) 3.919 22.860 ( -8.410 0.906 -0.864) 8.503 22.916 ( -7.228 -0.624 -2.687) 7.736 23.038 ( -5.147 -0.814 2.600) 5.824 23.123 ( 1.530 -2.945 0.334) 3.336 ======================= Grid point 195 (63/147) ======================= q-point: (-0.46 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.244 ( -5.874 13.606 5.000) 15.640 3.515 ( -11.123 7.453 5.401) 14.437 4.055 ( -11.816 5.142 -10.861) 16.853 4.179 ( -10.448 1.094 -13.942) 17.457 4.590 ( -0.814 -5.729 6.310) 8.561 4.677 ( -4.941 1.663 11.965) 13.051 4.712 ( -6.028 -2.202 0.965) 6.489 4.927 ( 1.944 0.491 0.513) 2.069 5.292 ( -11.982 9.344 1.145) 15.238 5.449 ( -2.903 -3.035 8.064) 9.092 5.522 ( -7.050 -4.199 14.583) 16.733 6.295 ( -11.277 15.527 -0.857) 19.209 6.788 ( -15.890 -14.497 2.614) 21.667 7.001 ( -5.257 -10.368 -11.212) 16.151 7.145 ( -6.885 3.898 -8.201) 11.396 7.733 ( -9.592 -0.484 -17.540) 19.997 8.268 ( -5.154 -0.366 -5.975) 7.899 8.345 ( 2.043 -6.301 -2.965) 7.257 8.840 ( -16.693 4.396 -3.196) 17.555 9.045 ( -11.874 -0.646 11.728) 16.702 9.271 ( -12.952 -2.607 -1.804) 13.334 9.607 ( -17.798 -1.856 13.337) 22.318 9.863 ( -7.217 -6.785 -6.410) 11.799 10.004 ( -17.949 1.038 3.379) 18.293 10.154 ( -5.865 7.764 18.681) 21.063 10.651 ( -0.261 2.841 5.652) 6.331 11.354 ( 1.591 -8.830 -0.919) 9.020 11.996 ( -4.306 10.725 -15.171) 19.072 12.387 ( -8.408 14.643 0.199) 16.886 12.661 ( 4.381 1.980 4.100) 6.318 13.137 ( 5.502 -11.126 -3.514) 12.900 13.379 ( 9.358 -11.244 -1.866) 14.747 13.685 ( 21.744 1.309 0.466) 21.788 14.022 ( 19.864 7.369 -2.110) 21.291 14.266 ( 4.585 0.332 0.454) 4.620 14.858 ( 6.281 3.138 -7.462) 10.246 15.297 ( 15.431 -0.533 5.165) 16.281 15.430 ( 19.736 4.552 0.648) 20.265 17.304 ( -3.694 -2.955 0.689) 4.780 17.314 ( -3.263 -3.533 0.845) 4.883 17.743 ( -7.487 -4.201 0.892) 8.632 17.869 ( 0.088 -0.293 -2.204) 2.225 21.375 ( -9.080 -0.288 2.303) 9.372 21.511 ( -2.169 2.670 -1.048) 3.596 22.518 ( -22.802 3.239 0.565) 23.038 22.669 ( -18.415 1.243 -4.516) 19.001 22.898 ( -13.040 -3.959 5.243) 14.601 23.140 ( -3.071 -3.239 -2.043) 4.909 ======================= Grid point 196 (64/147) ======================= q-point: (-0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.959 ( -11.505 18.755 4.412) 22.440 3.168 ( -17.827 11.429 8.104) 22.674 3.740 ( -15.704 7.427 -15.994) 23.614 3.922 ( -14.585 2.791 -15.984) 21.818 4.493 ( -10.127 -0.118 14.467) 17.659 4.551 ( -8.006 -1.011 9.310) 12.320 4.644 ( -6.364 -1.313 0.658) 6.531 4.902 ( -13.707 8.310 10.040) 18.914 4.933 ( -4.576 6.173 5.027) 9.183 5.338 ( -5.484 1.235 16.045) 17.001 5.481 ( -9.147 -5.289 -4.662) 11.549 5.805 ( -16.541 14.324 5.346) 22.525 6.697 ( -16.020 -27.897 -0.556) 32.175 6.901 ( -12.946 -5.945 -12.862) 19.193 6.950 ( -10.155 3.378 -16.920) 20.021 7.463 ( -19.651 -3.397 -23.175) 30.575 8.107 ( -16.984 -0.452 7.383) 18.525 8.328 ( -6.133 3.085 3.559) 7.733 8.573 ( -7.944 -4.442 -8.549) 12.487 8.754 ( -17.510 0.615 0.978) 17.548 9.070 ( -7.387 -3.978 8.077) 11.646 9.214 ( -23.433 -0.693 13.446) 27.025 9.649 ( -18.506 0.394 -0.115) 18.511 9.793 ( -6.175 -10.729 -6.150) 13.822 9.981 ( -3.637 8.858 21.532) 23.565 10.644 ( 2.427 1.280 4.928) 5.640 11.481 ( 3.235 -5.304 -7.050) 9.397 11.815 ( -2.265 17.645 -16.433) 24.218 12.255 ( 7.790 12.879 9.454) 17.775 12.780 ( 10.999 5.535 1.343) 12.386 13.271 ( 6.396 1.063 3.508) 7.372 13.681 ( 12.527 -8.689 -10.364) 18.435 14.058 ( 16.716 -2.654 -3.382) 17.260 14.372 ( 8.144 -1.140 10.194) 13.097 14.454 ( 24.837 3.696 -7.855) 26.310 14.982 ( 10.057 3.743 -5.155) 11.905 15.621 ( 16.980 -1.726 4.985) 17.781 15.789 ( 20.103 5.458 0.067) 20.831 17.255 ( -4.897 -7.740 0.548) 9.175 17.295 ( -2.321 -6.540 1.340) 7.068 17.615 ( -10.019 -7.081 2.351) 12.492 17.880 ( 1.033 0.350 -3.799) 3.953 21.136 ( -17.199 -2.436 4.010) 17.828 21.429 ( -5.422 0.982 -3.239) 6.392 21.973 ( -31.474 3.217 1.827) 31.691 22.224 ( -26.380 2.191 -6.323) 27.216 22.574 ( -23.982 -4.727 8.736) 25.958 23.059 ( -7.731 -4.048 -5.123) 10.120 ======================= Grid point 197 (65/147) ======================= q-point: (-0.31 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( -18.507 20.114 4.890) 27.767 2.680 ( -20.122 21.474 11.168) 31.476 3.382 ( -15.067 7.454 -21.670) 27.426 3.608 ( -13.788 7.195 -20.260) 25.541 4.191 ( -24.282 11.512 14.154) 30.372 4.364 ( -8.308 4.911 11.898) 15.320 4.397 ( -18.584 10.517 15.965) 26.662 4.495 ( -13.624 -3.323 16.817) 21.897 4.903 ( -0.459 -1.541 6.197) 6.402 5.211 ( -10.397 4.747 -6.850) 13.325 5.252 ( -4.160 -1.706 9.654) 10.650 5.676 ( -5.636 -15.937 1.570) 16.977 6.488 ( -20.740 -11.040 -10.336) 25.668 6.642 ( -18.682 -5.390 -15.144) 24.646 6.647 ( -22.773 -6.710 -21.580) 32.083 7.113 ( -17.022 -2.543 -18.097) 24.974 7.631 ( -24.527 8.631 12.311) 28.769 8.067 ( -18.340 9.501 -4.372) 21.113 8.426 ( -15.513 -7.844 10.424) 20.270 8.483 ( -16.787 -6.142 6.954) 19.181 8.802 ( -10.444 -3.909 4.324) 11.960 9.120 ( 5.091 -2.425 3.385) 6.577 9.323 ( -12.820 1.383 0.424) 12.901 9.810 ( 0.532 -9.288 -4.067) 10.154 9.912 ( 0.673 2.942 22.622) 22.823 10.681 ( -1.141 -0.649 5.120) 5.286 11.475 ( 3.750 14.376 -10.057) 17.941 11.840 ( 15.894 11.479 -19.385) 27.571 12.440 ( 15.999 5.910 13.780) 21.927 13.026 ( 20.753 8.187 -0.663) 22.319 13.399 ( 9.391 3.858 5.846) 11.715 13.929 ( 9.967 -0.556 -15.078) 18.082 14.378 ( 14.569 0.234 -1.918) 14.696 14.553 ( 8.370 -6.536 9.113) 13.993 14.833 ( 16.386 4.282 -2.630) 17.140 15.226 ( 17.268 0.328 -4.777) 17.919 15.947 ( 14.754 -3.180 3.241) 15.437 16.081 ( 14.071 4.630 0.139) 14.814 17.224 ( -4.455 -8.095 1.691) 9.393 17.352 ( -0.887 -14.892 -0.111) 14.919 17.485 ( -7.540 -8.945 4.541) 12.549 17.898 ( 1.862 2.651 -5.489) 6.373 20.747 ( -27.189 -6.490 5.836) 28.555 21.199 ( -28.443 1.584 -5.102) 28.941 21.357 ( -21.775 -0.363 1.862) 21.858 21.660 ( -30.535 0.698 -8.265) 31.642 22.087 ( -28.074 -2.017 13.611) 31.264 22.923 ( -9.552 -4.742 -10.486) 14.956 ======================= Grid point 198 (66/147) ======================= q-point: (-0.23 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -29.532 14.352 9.011) 34.049 2.131 ( -14.636 36.693 13.339) 41.695 3.095 ( -9.502 6.593 -24.977) 27.525 3.288 ( -20.121 18.524 -4.686) 27.748 3.388 ( -29.711 19.218 8.200) 36.322 4.075 ( -9.083 4.476 15.788) 18.757 4.213 ( -5.342 2.911 10.436) 12.080 4.354 ( -8.084 -9.082 22.369) 25.460 4.904 ( -2.471 -4.266 2.113) 5.364 5.049 ( -5.973 -0.033 -3.011) 6.689 5.179 ( -5.525 -1.799 4.778) 7.522 5.692 ( -5.502 -16.558 -1.992) 17.562 6.101 ( -25.246 -1.736 -23.142) 34.292 6.179 ( -22.660 -3.385 -28.236) 36.362 6.360 ( -21.795 -20.119 -1.039) 29.680 6.864 ( -9.635 3.145 -17.589) 20.300 7.152 ( -15.699 13.881 11.304) 23.810 7.627 ( -17.772 10.192 -5.659) 21.255 8.015 ( -25.551 3.440 19.467) 32.305 8.219 ( -14.507 -15.564 12.541) 24.697 8.872 ( 5.113 -8.837 -1.208) 10.281 9.073 ( -4.849 5.903 -2.901) 8.172 9.342 ( 9.197 -3.030 5.039) 10.916 9.933 ( 8.943 -1.278 24.400) 26.019 9.971 ( 2.439 -10.474 4.330) 11.593 10.588 ( -5.569 2.733 9.141) 11.047 11.506 ( 9.544 16.564 -14.751) 24.146 12.171 ( 25.825 14.104 -10.628) 31.286 12.735 ( 16.708 -4.340 6.175) 18.334 13.441 ( 28.286 11.000 -4.052) 30.619 13.585 ( 11.928 0.857 9.405) 15.214 14.095 ( 9.077 2.179 -12.848) 15.881 14.521 ( 1.087 3.631 0.590) 3.836 14.784 ( 8.304 -10.031 6.592) 14.595 15.066 ( 11.732 2.398 0.391) 11.981 15.573 ( 17.143 -0.881 -7.530) 18.745 16.196 ( 7.142 -3.765 0.906) 8.125 16.262 ( 8.223 2.885 3.531) 9.403 17.178 ( -9.380 -11.643 1.198) 14.999 17.317 ( -7.880 -10.694 0.593) 13.297 17.658 ( 13.846 -12.804 2.758) 19.060 17.920 ( 4.954 6.241 -5.319) 9.581 20.196 ( -36.180 -9.563 6.052) 37.909 20.445 ( -41.642 3.467 0.940) 41.796 20.990 ( -27.361 -8.635 -2.928) 28.840 21.112 ( -27.387 -6.376 -9.196) 29.585 21.619 ( -17.061 7.080 14.208) 23.304 22.761 ( -10.780 -2.202 -20.067) 22.885 ======================= Grid point 199 (67/147) ======================= q-point: (-0.15 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -27.366 13.467 20.679) 36.849 1.590 ( -13.520 37.707 21.451) 45.439 2.342 ( -34.712 35.037 44.705) 66.566 2.985 ( -1.168 3.718 -28.520) 28.785 3.127 ( -2.806 14.221 -30.245) 33.539 3.948 ( -3.206 0.481 16.497) 16.812 4.122 ( -2.688 0.875 8.355) 8.820 4.314 ( -2.528 -7.834 26.340) 27.596 4.850 ( -6.762 -6.180 -3.759) 9.902 4.965 ( -3.316 -0.450 -2.656) 4.272 5.061 ( -5.856 2.621 1.393) 6.565 5.626 ( -16.053 5.647 -35.177) 39.077 5.732 ( -4.990 -16.709 -1.066) 17.471 5.923 ( -12.544 -16.887 -11.559) 24.003 6.139 ( -13.901 -15.635 -3.215) 21.166 6.681 ( -4.690 9.491 -20.721) 23.269 6.859 ( -5.242 12.277 9.262) 16.247 7.284 ( -10.260 9.751 -4.869) 14.968 7.556 ( -17.192 6.219 25.379) 31.278 8.149 ( -6.034 -18.684 9.265) 21.710 8.964 ( -0.808 7.466 -0.172) 7.511 9.040 ( 5.212 -6.013 -0.787) 7.996 9.535 ( 7.325 -3.257 4.075) 8.993 10.086 ( 1.392 -6.889 -8.657) 11.151 10.337 ( 31.761 -21.464 66.912) 77.115 10.506 ( -0.829 1.070 11.965) 12.041 11.564 ( 9.080 13.958 -15.336) 22.638 12.501 ( 23.120 20.924 11.834) 33.353 13.185 ( 19.333 -15.786 -11.931) 27.664 13.801 ( 9.694 -1.426 9.531) 13.669 13.885 ( 23.345 8.296 -8.649) 26.242 14.263 ( 8.278 0.212 -5.805) 10.113 14.370 ( -18.831 -8.795 6.670) 21.827 14.965 ( 3.758 -7.370 0.928) 8.324 15.245 ( 8.475 2.327 0.800) 8.825 15.849 ( 10.178 -0.618 -10.135) 14.377 16.188 ( -11.227 -0.443 6.877) 13.173 16.359 ( 2.355 1.109 6.025) 6.563 17.067 ( -7.928 -11.675 -7.071) 15.785 17.264 ( -0.966 0.999 -3.721) 3.972 18.073 ( 18.432 5.404 0.585) 19.216 18.117 ( 23.492 -10.026 2.267) 25.642 19.537 ( -38.728 -7.642 2.401) 39.548 19.632 ( -39.101 4.951 1.315) 39.435 20.478 ( -37.764 -23.818 -0.444) 44.650 20.729 ( -17.721 -11.108 -7.305) 22.154 21.329 ( -6.372 14.382 8.577) 17.917 22.483 ( -16.397 13.499 -36.461) 42.196 ======================= Grid point 200 (68/147) ======================= q-point: (-0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -0.000 8.496 40.103) 40.993 1.154 ( -0.000 35.872 31.834) 47.961 1.680 ( -0.000 36.101 59.526) 69.618 2.965 ( -0.000 2.288 -29.046) 29.136 3.014 ( -0.000 10.580 -32.929) 34.587 3.918 ( -0.000 0.153 16.972) 16.972 4.096 ( 0.000 -0.272 6.589) 6.594 4.355 ( 0.000 -7.195 30.049) 30.898 4.803 ( 0.000 -5.072 -4.774) 6.966 4.936 ( -0.000 0.845 -4.727) 4.802 4.962 ( -0.000 3.396 -6.748) 7.555 5.422 ( -0.000 4.948 -32.826) 33.197 5.809 ( 0.000 -13.184 3.291) 13.589 5.937 ( 0.000 -19.219 -9.911) 21.624 6.095 ( 0.000 -11.001 -5.067) 12.112 6.559 ( -0.000 11.858 -20.360) 23.562 6.741 ( -0.000 9.181 7.077) 11.592 7.112 ( -0.000 8.398 -3.185) 8.981 7.331 ( -0.000 6.426 29.442) 30.136 8.231 ( 0.000 -17.096 1.751) 17.185 8.895 ( -0.000 9.356 3.941) 10.152 9.142 ( 0.000 -4.875 -1.481) 5.095 9.632 ( 0.000 -2.587 3.948) 4.720 10.119 ( 0.000 -0.997 -7.184) 7.253 10.517 ( 0.000 -2.829 8.548) 9.004 11.183 ( 0.000 -40.123 27.243) 48.498 11.799 ( 0.000 -30.557 29.773) 42.664 13.098 ( 0.000 -7.995 9.316) 12.276 13.427 ( 0.000 -0.165 6.871) 6.873 13.576 ( 0.000 -23.839 11.305) 26.384 14.130 ( 0.000 -8.136 16.004) 17.954 14.235 ( 0.000 -0.094 -15.888) 15.888 14.315 ( -0.000 1.685 1.392) 2.185 15.055 ( 0.000 -8.051 -6.623) 10.425 15.324 ( -0.000 4.426 -1.328) 4.621 15.913 ( -0.000 19.862 -20.590) 28.608 15.927 ( 0.000 -0.068 20.520) 20.520 16.343 ( -0.000 0.891 8.825) 8.870 17.063 ( 0.000 -6.233 -8.953) 10.909 17.322 ( 0.000 -0.047 -19.917) 19.917 18.471 ( -0.000 0.003 12.974) 12.974 18.554 ( 0.000 -5.561 7.004) 8.944 18.882 ( -0.000 13.223 -10.245) 16.727 19.054 ( 0.000 -0.021 -4.607) 4.607 20.109 ( 0.000 -31.421 16.626) 35.549 20.642 ( 0.000 -11.710 -5.939) 13.130 21.151 ( -0.000 16.855 5.126) 17.617 21.975 ( -0.000 55.266 -43.010) 70.030 ======================= Grid point 203 (69/147) ======================= q-point: ( 0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 31.832 -0.000 12.291) 34.122 2.902 ( 25.416 -0.000 9.680) 27.197 3.629 ( 18.095 -0.000 -17.019) 24.841 3.744 ( 21.782 -0.000 -31.435) 38.244 4.360 ( 6.617 -0.000 6.160) 9.040 4.401 ( 10.761 -0.000 20.037) 22.744 4.472 ( 22.242 -0.000 13.142) 25.834 4.853 ( -4.257 0.000 7.180) 8.347 5.021 ( 12.334 -0.000 22.626) 25.770 5.103 ( 1.265 -0.000 -8.555) 8.649 5.335 ( 2.437 -0.000 8.568) 8.907 6.396 ( 7.783 -0.000 -11.347) 13.760 6.401 ( 2.600 -0.000 -17.064) 17.261 6.968 ( 14.508 -0.000 -11.381) 18.440 7.741 ( 25.056 -0.000 -9.276) 26.718 7.891 ( 18.391 -0.000 -5.506) 19.198 7.912 ( 24.632 -0.000 0.212) 24.633 7.925 ( 22.444 -0.000 3.445) 22.707 8.711 ( -0.116 0.000 0.845) 0.853 8.822 ( -2.455 0.000 -7.136) 7.546 9.087 ( 9.561 -0.000 13.485) 16.531 9.299 ( 17.429 -0.000 6.512) 18.606 9.527 ( 25.860 -0.000 7.435) 26.908 9.669 ( 1.855 -0.000 18.666) 18.758 10.215 ( 4.681 -0.000 -4.319) 6.369 10.663 ( -12.946 0.000 4.273) 13.633 11.262 ( 22.003 -0.000 -3.112) 22.222 11.330 ( 1.597 -0.000 -15.168) 15.251 12.214 ( -18.285 0.000 3.329) 18.586 12.486 ( -6.393 0.000 5.822) 8.647 13.259 ( -3.531 0.000 2.992) 4.628 13.857 ( -7.838 0.000 -12.203) 14.504 13.876 ( -9.239 0.000 -5.905) 10.965 14.359 ( -21.417 0.000 -6.750) 22.456 14.620 ( -13.135 0.000 13.890) 19.116 15.049 ( -12.617 0.000 -4.081) 13.260 15.664 ( -19.498 0.000 2.137) 19.615 15.676 ( -18.049 0.000 1.536) 18.114 17.333 ( -3.132 0.000 3.108) 4.412 17.563 ( -3.632 0.000 -2.143) 4.217 17.807 ( 5.245 -0.000 -0.639) 5.284 17.839 ( 2.608 -0.000 -2.164) 3.389 21.330 ( 11.031 -0.000 2.784) 11.377 21.499 ( 7.226 -0.000 -1.439) 7.368 21.871 ( 31.174 -0.000 1.742) 31.223 22.039 ( 25.614 -0.000 -2.480) 25.733 22.720 ( 23.991 -0.000 3.873) 24.302 23.098 ( 4.438 -0.000 -5.589) 7.137 ======================= Grid point 204 (70/147) ======================= q-point: ( 0.23 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( 27.765 -1.455 9.781) 29.474 3.335 ( 19.200 -1.496 8.602) 21.092 3.934 ( 13.882 1.451 -14.503) 20.128 4.137 ( 16.447 -2.142 -25.963) 30.809 4.492 ( 6.328 -2.314 6.334) 9.248 4.607 ( 9.454 -3.849 15.860) 18.861 4.746 ( -0.417 1.037 6.766) 6.858 4.766 ( 2.109 -2.189 5.020) 5.869 5.102 ( 2.935 6.383 -0.634) 7.054 5.251 ( 6.570 -11.091 2.403) 13.113 5.420 ( 6.256 -0.106 17.207) 18.310 6.326 ( 1.117 16.689 -8.065) 18.569 6.601 ( 2.689 -16.027 -9.461) 18.804 7.202 ( 9.747 0.727 -7.896) 12.565 8.032 ( 10.535 14.313 0.299) 17.775 8.055 ( 7.193 7.601 -2.597) 10.782 8.247 ( 7.498 -0.993 -10.418) 12.874 8.325 ( 8.956 -5.214 2.866) 10.752 8.754 ( 7.400 0.150 -6.911) 10.127 8.871 ( 8.251 -5.732 -11.224) 15.063 9.251 ( 6.377 -0.380 20.145) 21.134 9.595 ( 14.505 -1.998 16.387) 21.976 9.796 ( 9.464 1.106 4.353) 10.475 10.017 ( 21.817 -0.237 2.933) 22.015 10.294 ( 4.202 2.559 1.648) 5.189 10.532 ( -1.609 -1.215 3.349) 3.909 11.480 ( 11.802 -2.800 -14.986) 19.279 11.647 ( 13.357 -2.660 -8.793) 16.211 11.940 ( -7.466 -0.236 9.184) 11.838 12.454 ( 2.335 -2.692 6.918) 7.782 13.248 ( -0.107 0.072 2.971) 2.973 13.578 ( -15.572 -1.526 2.251) 15.808 13.824 ( -3.192 3.188 -15.193) 15.849 13.921 ( -21.038 -0.902 -3.762) 21.391 14.350 ( -12.922 2.405 7.706) 15.236 14.863 ( -6.942 0.484 -8.221) 10.771 15.296 ( -17.567 -0.384 3.095) 17.841 15.358 ( -14.241 0.262 1.745) 14.350 17.301 ( -0.497 -0.124 2.931) 2.975 17.508 ( -1.970 1.386 -1.826) 3.023 17.869 ( 1.323 0.547 -1.154) 1.839 17.873 ( 1.561 0.267 -0.925) 1.834 21.473 ( 5.356 1.398 2.191) 5.953 21.594 ( 4.053 2.402 -0.823) 4.782 22.394 ( 22.708 -1.084 0.785) 22.748 22.492 ( 20.112 -2.623 -1.653) 20.350 23.049 ( 10.840 1.176 1.292) 10.979 23.155 ( 1.138 -0.654 -1.397) 1.917 ======================= Grid point 205 (71/147) ======================= q-point: ( 0.31 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.358 ( 17.936 5.465 7.209) 20.088 3.645 ( 12.111 -0.227 7.755) 14.383 4.129 ( 7.258 -0.016 -12.077) 14.090 4.348 ( 4.947 -0.344 -17.975) 18.646 4.611 ( 0.596 -1.603 4.894) 5.185 4.629 ( -3.550 -0.111 10.802) 11.371 4.811 ( 4.301 -9.742 9.423) 14.220 4.840 ( 3.334 0.012 -3.763) 5.028 5.102 ( 1.489 4.090 1.800) 4.711 5.454 ( 3.119 -12.919 9.092) 16.102 5.554 ( 6.098 -6.806 3.990) 9.971 6.217 ( -0.111 15.272 -0.559) 15.283 6.728 ( -1.124 -15.463 -7.152) 17.074 7.313 ( 2.372 1.743 -6.431) 7.072 7.975 ( -5.421 7.044 2.528) 9.241 8.073 ( 5.552 25.121 -2.549) 25.853 8.215 ( -7.404 0.506 -1.505) 7.573 8.413 ( 1.001 -1.905 -13.482) 13.652 8.956 ( 8.814 -3.774 -7.630) 12.253 9.112 ( 6.865 -10.335 -6.847) 14.171 9.325 ( 0.226 -1.640 18.191) 18.266 9.906 ( 2.416 1.139 0.045) 2.671 9.916 ( 15.833 -2.180 19.489) 25.205 10.201 ( -2.273 2.842 3.078) 4.766 10.357 ( 0.942 -1.681 5.043) 5.398 10.608 ( 9.005 1.999 2.856) 9.656 11.555 ( -9.565 3.842 -3.329) 10.832 11.830 ( 16.055 -5.549 -19.953) 26.204 12.106 ( 12.623 -9.431 4.384) 16.356 12.609 ( 10.377 -3.552 4.794) 11.970 13.043 ( -22.242 -1.182 4.086) 22.645 13.313 ( -11.852 1.207 -0.409) 11.920 13.706 ( -2.451 6.570 0.432) 7.025 13.741 ( 0.942 3.456 -0.709) 3.651 14.168 ( -3.949 -0.783 -3.329) 5.224 14.765 ( -2.868 -0.125 -11.155) 11.518 15.069 ( -5.119 0.647 4.459) 6.820 15.166 ( -4.470 0.781 1.479) 4.773 17.306 ( 0.575 -0.389 2.318) 2.420 17.453 ( -3.108 1.267 -1.027) 3.510 17.871 ( -1.246 0.325 -0.600) 1.421 17.879 ( -0.337 0.030 -1.027) 1.082 21.526 ( 1.371 1.474 1.910) 2.775 21.630 ( 2.287 3.987 -0.687) 4.648 22.738 ( 11.769 -2.012 0.436) 11.948 22.826 ( 12.108 -3.461 -1.899) 12.736 23.122 ( -1.719 1.575 0.689) 2.431 23.144 ( -2.980 -0.979 0.317) 3.153 ======================= Grid point 206 (72/147) ======================= q-point: ( 0.38 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.525 ( 6.800 12.156 4.914) 14.771 3.765 ( 1.953 5.752 5.062) 7.907 4.209 ( -0.380 -1.790 -7.235) 7.463 4.360 ( -3.395 1.180 -14.468) 14.908 4.501 ( -4.883 -2.789 3.619) 6.687 4.664 ( -1.193 -2.982 11.591) 12.027 4.834 ( -2.359 -1.495 3.100) 4.172 4.927 ( 2.252 2.157 -4.463) 5.445 5.136 ( 0.031 -9.522 6.078) 11.297 5.511 ( -1.708 -2.066 14.801) 15.042 5.726 ( 0.519 -12.827 -8.315) 15.296 6.115 ( -1.574 5.229 8.485) 10.090 6.794 ( -3.392 -15.189 -8.761) 17.860 7.259 ( -6.079 2.287 -4.536) 7.922 7.670 ( -15.939 25.913 0.214) 30.423 7.934 ( -0.942 9.857 -7.330) 12.320 8.163 ( -1.419 -3.106 0.974) 3.551 8.398 ( -2.734 0.834 -15.097) 15.365 9.053 ( -2.966 -4.244 -6.209) 8.085 9.202 ( -5.071 -4.660 5.547) 8.843 9.281 ( -7.211 -8.947 6.778) 13.341 9.825 ( -8.908 2.560 1.999) 9.482 10.031 ( -9.362 1.770 0.710) 9.554 10.180 ( 0.425 -5.018 13.341) 14.260 10.317 ( -0.581 2.519 11.312) 11.603 10.709 ( 3.121 5.279 4.627) 7.682 11.325 ( -11.526 -1.998 0.656) 11.716 12.144 ( 10.796 2.816 -21.512) 24.233 12.429 ( 12.541 -11.010 -1.205) 16.731 12.655 ( -12.796 -3.316 6.449) 14.708 12.823 ( 2.016 -10.662 -5.122) 11.999 13.139 ( -0.576 8.396 -0.126) 8.416 13.570 ( 1.037 5.203 12.698) 13.762 13.893 ( 12.720 6.537 -4.444) 14.976 14.184 ( 3.036 -1.417 -3.725) 5.010 14.784 ( 4.788 0.111 -10.926) 11.929 15.089 ( 7.853 2.183 5.482) 9.823 15.206 ( 10.027 2.079 0.975) 10.287 17.317 ( 0.087 -0.258 1.136) 1.168 17.361 ( -6.425 -0.684 0.144) 6.463 17.809 ( -5.545 -1.413 0.297) 5.729 17.870 ( -0.521 0.004 -1.568) 1.653 21.503 ( -2.733 1.567 2.073) 3.771 21.623 ( 0.210 4.778 -0.886) 4.864 22.846 ( -3.387 -2.009 -0.553) 3.977 22.918 ( -8.872 0.243 -2.918) 9.343 23.028 ( -6.226 -0.606 1.858) 6.525 23.077 ( -1.010 -2.972 1.252) 3.380 ======================= Grid point 207 (73/147) ======================= q-point: (-0.54 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.464 ( -1.947 16.187 3.247) 16.624 3.643 ( -7.914 10.074 3.273) 13.223 4.108 ( -9.740 1.936 -7.494) 12.441 4.211 ( -9.464 3.264 -9.269) 13.643 4.496 ( -2.079 -7.306 1.748) 7.794 4.625 ( -5.051 -4.771 10.135) 12.288 4.737 ( -7.078 1.798 4.519) 8.588 4.945 ( 1.713 2.335 -2.606) 3.896 5.186 ( -5.547 -15.140 5.162) 16.931 5.444 ( -4.859 1.536 9.750) 11.001 5.638 ( -9.587 10.303 4.411) 14.749 6.143 ( -2.701 -20.265 4.683) 20.974 6.810 ( -8.058 -12.382 -12.065) 19.073 6.987 ( -18.609 19.937 -2.111) 27.354 7.203 ( -11.227 8.224 -0.013) 13.917 7.783 ( -9.863 7.571 -16.626) 20.761 8.193 ( -2.331 -8.326 -0.225) 8.649 8.320 ( -2.157 1.794 -10.516) 10.883 8.884 ( -15.154 0.956 -3.623) 15.610 9.025 ( -12.565 -1.724 14.606) 19.344 9.174 ( -14.215 -12.398 -3.233) 19.137 9.563 ( -16.881 -1.268 9.420) 19.373 9.825 ( -11.103 0.368 -5.782) 12.524 9.972 ( -18.863 -3.895 0.806) 19.278 10.304 ( -1.271 10.869 20.930) 23.618 10.687 ( -1.471 2.242 5.746) 6.341 11.232 ( -0.647 -7.695 2.632) 8.159 12.142 ( -0.979 9.208 -13.065) 16.014 12.552 ( -3.682 6.770 -6.503) 10.084 12.666 ( 6.740 -1.090 3.044) 7.476 12.946 ( 8.121 -13.569 -6.523) 17.106 13.236 ( 10.187 -6.998 2.258) 12.564 13.748 ( 18.079 6.275 8.559) 20.964 14.119 ( 17.018 5.439 -5.679) 18.747 14.268 ( 5.014 -0.087 -1.953) 5.382 14.912 ( 9.433 3.484 -10.671) 14.663 15.309 ( 15.828 2.517 7.896) 17.866 15.495 ( 21.040 4.167 0.726) 21.461 17.222 ( -10.121 -5.544 1.066) 11.589 17.301 ( -2.456 -0.782 -0.819) 2.704 17.685 ( -9.206 -3.633 2.324) 10.166 17.864 ( -0.101 -0.365 -2.368) 2.398 21.386 ( -8.809 1.615 2.837) 9.395 21.568 ( -2.249 4.810 -1.651) 5.560 22.560 ( -22.785 2.470 0.016) 22.918 22.665 ( -18.351 -1.496 -3.987) 18.838 22.851 ( -13.953 -2.577 5.290) 15.143 23.081 ( -4.117 -4.574 -1.746) 6.397 ======================= Grid point 208 (74/147) ======================= q-point: (-0.46 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.219 ( -11.682 16.753 1.398) 20.472 3.358 ( -11.333 14.812 5.618) 19.478 3.842 ( -14.477 5.978 -11.432) 19.391 3.970 ( -12.534 4.173 -10.266) 16.731 4.425 ( -10.216 -6.329 12.044) 17.015 4.569 ( -8.680 1.697 6.398) 10.915 4.592 ( -3.745 -6.071 3.122) 7.787 4.941 ( -1.302 1.581 2.114) 2.944 5.058 ( -15.587 1.006 -0.999) 15.652 5.339 ( -7.364 -4.454 4.242) 9.595 5.377 ( -6.735 4.178 18.509) 20.134 6.153 ( -14.132 12.920 -1.548) 19.210 6.306 ( -23.768 -10.188 5.240) 26.385 6.810 ( -7.979 -7.531 -13.795) 17.626 6.976 ( -13.430 0.311 -9.318) 16.349 7.460 ( -18.958 3.254 -23.839) 30.632 8.065 ( -15.218 -5.281 6.096) 17.223 8.331 ( -0.752 -0.669 -3.012) 3.175 8.571 ( -13.610 2.865 -5.225) 14.857 8.756 ( -18.351 -1.027 2.507) 18.550 8.974 ( -9.755 -9.739 6.455) 15.221 9.199 ( -22.590 -1.543 13.438) 26.330 9.617 ( -18.834 -4.588 -2.321) 19.523 9.644 ( -10.578 -7.046 -5.156) 13.716 10.155 ( -2.847 13.401 20.026) 24.264 10.664 ( 1.162 1.123 5.077) 5.328 11.371 ( 7.012 -8.847 -1.012) 11.334 12.063 ( 1.404 15.970 -16.592) 23.072 12.451 ( 5.925 12.624 4.009) 14.511 12.831 ( 11.407 1.594 -2.297) 11.745 13.243 ( 12.784 -6.040 2.257) 14.318 13.560 ( 16.631 -6.943 -1.439) 18.080 14.023 ( 13.386 -0.057 0.865) 13.414 14.366 ( 6.145 -0.380 3.613) 7.138 14.512 ( 24.925 4.071 -7.965) 26.482 15.087 ( 13.669 9.425 -9.084) 18.926 15.611 ( 16.417 1.114 8.204) 18.386 15.873 ( 20.703 5.866 -0.029) 21.518 17.086 ( -10.071 -13.041 1.005) 16.508 17.229 ( -7.097 -4.959 -2.869) 9.121 17.523 ( -10.672 -5.010 6.209) 13.324 17.877 ( 1.080 -0.724 -3.727) 3.948 21.127 ( -17.847 0.913 4.537) 18.437 21.464 ( -5.814 3.613 -3.910) 7.883 22.016 ( -31.772 2.703 1.384) 31.917 22.227 ( -28.219 -1.568 -5.950) 28.882 22.514 ( -23.189 -3.423 9.041) 25.123 22.985 ( -9.377 -5.907 -4.667) 12.025 ======================= Grid point 209 (75/147) ======================= q-point: (-0.38 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( -22.373 15.137 1.950) 27.083 3.010 ( -11.979 21.349 9.366) 26.211 3.498 ( -15.273 7.854 -17.406) 24.453 3.703 ( -10.577 6.353 -12.191) 17.345 4.260 ( -10.706 -3.496 14.002) 17.969 4.384 ( -10.672 -0.060 8.655) 13.740 4.458 ( -12.303 5.380 6.366) 14.860 4.652 ( -17.995 11.724 7.881) 22.877 4.900 ( -2.873 1.033 5.498) 6.289 5.206 ( -8.874 -3.343 9.104) 13.146 5.284 ( -8.238 -0.318 2.126) 8.514 5.559 ( -17.510 8.112 5.350) 20.026 6.185 ( -16.371 -24.783 -0.277) 29.703 6.554 ( -23.264 0.146 -13.990) 27.146 6.686 ( -17.432 -1.280 -23.390) 29.199 7.084 ( -16.540 -0.355 -23.790) 28.977 7.712 ( -20.213 2.035 14.032) 24.690 8.185 ( -19.331 6.915 -3.955) 20.908 8.317 ( -12.839 -4.907 3.068) 14.083 8.426 ( -13.565 -3.657 4.292) 14.690 8.752 ( -18.631 -3.160 10.250) 21.499 9.055 ( 6.533 -6.381 4.480) 10.172 9.304 ( -14.687 -3.857 -1.674) 15.277 9.612 ( -1.676 -13.975 -6.635) 15.560 10.034 ( -0.750 10.611 22.843) 25.198 10.691 ( 1.043 1.440 5.165) 5.462 11.585 ( 11.449 0.105 -9.798) 15.070 12.020 ( 8.909 15.006 -18.305) 25.291 12.599 ( 16.751 13.442 11.964) 24.585 13.114 ( 20.941 4.078 -2.898) 21.530 13.477 ( 11.826 5.313 6.667) 14.578 13.907 ( 14.929 -2.132 -7.779) 16.969 14.306 ( 13.785 -5.951 -0.276) 15.017 14.494 ( 5.697 -3.569 4.485) 8.081 14.908 ( 17.331 5.786 -3.470) 18.598 15.304 ( 17.365 10.007 -7.183) 21.291 15.901 ( 13.101 -2.801 4.727) 14.207 16.158 ( 13.233 5.811 -1.441) 14.524 17.062 ( -3.787 -15.151 -0.799) 15.638 17.136 ( -8.421 -14.159 -1.093) 16.510 17.370 ( -8.073 -6.079 9.789) 14.069 17.914 ( 2.251 -0.419 -5.926) 6.352 20.685 ( -28.767 -1.998 6.797) 29.627 21.227 ( -24.442 2.356 -6.930) 25.514 21.365 ( -28.293 1.081 1.928) 28.379 21.637 ( -34.516 -3.290 -6.604) 35.295 22.064 ( -23.833 -1.427 13.032) 27.201 22.838 ( -10.163 -6.683 -8.860) 15.048 ======================= Grid point 210 (76/147) ======================= q-point: (-0.31 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( -28.820 15.762 4.701) 33.184 2.567 ( -17.876 23.527 17.196) 34.187 3.196 ( -9.451 7.089 -24.475) 27.177 3.494 ( -4.796 10.814 -16.118) 19.993 3.828 ( -24.807 35.681 17.509) 46.852 4.161 ( -10.539 2.616 15.277) 18.743 4.240 ( -7.974 -0.496 14.516) 16.570 4.276 ( -8.040 5.228 9.303) 13.361 4.843 ( -4.691 -3.423 3.045) 6.557 5.021 ( -9.564 -3.578 -8.904) 13.548 5.144 ( -5.298 -2.496 12.687) 13.973 5.444 ( -6.213 -16.670 4.017) 18.238 5.989 ( -21.664 -11.862 -9.404) 26.428 6.068 ( -25.474 -14.137 -5.474) 29.644 6.265 ( -21.971 7.631 -35.077) 42.088 6.874 ( -7.719 -1.981 -20.900) 22.368 7.336 ( -13.974 10.846 10.613) 20.629 7.751 ( -18.062 6.529 -3.608) 19.542 8.024 ( -17.946 -9.881 12.666) 24.085 8.077 ( -21.740 4.678 17.657) 28.395 8.719 ( 3.475 -12.232 0.477) 12.725 9.111 ( -5.086 -0.568 -3.458) 6.177 9.279 ( 8.589 -5.740 3.288) 10.841 9.759 ( 4.782 -14.935 -8.046) 17.625 9.980 ( 1.863 4.699 31.399) 31.803 10.655 ( -1.507 5.761 8.713) 10.553 11.747 ( 10.379 15.252 -16.115) 24.495 12.264 ( 21.754 -0.447 -22.326) 31.175 12.818 ( 16.230 14.985 16.877) 27.799 13.531 ( 22.005 2.527 1.337) 22.190 13.677 ( 17.689 10.107 7.454) 21.694 14.131 ( 9.157 2.822 -12.758) 15.955 14.513 ( -4.709 -4.501 -0.605) 6.542 14.644 ( 9.774 -8.239 6.238) 14.224 15.098 ( 8.820 2.065 2.995) 9.541 15.590 ( 15.255 3.047 -10.332) 18.674 16.131 ( 7.002 -4.961 0.027) 8.581 16.311 ( 7.434 3.589 1.236) 8.347 17.018 ( -13.192 -11.459 0.552) 17.483 17.139 ( 0.078 -12.101 2.791) 12.419 17.486 ( 15.384 -10.564 5.439) 19.438 17.970 ( 4.273 0.674 -7.922) 9.026 20.078 ( -36.979 -6.129 8.717) 38.484 20.495 ( -41.237 3.221 1.128) 41.378 20.897 ( -30.730 -4.621 -5.059) 31.485 21.011 ( -32.866 -6.803 -6.822) 34.249 21.704 ( -12.261 4.108 12.816) 18.206 22.708 ( -7.784 -4.694 -14.821) 17.387 ======================= Grid point 211 (77/147) ======================= q-point: (-0.23 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -27.777 15.739 14.871) 35.219 1.999 ( -22.391 22.094 31.404) 44.449 3.042 ( -4.838 23.411 -13.867) 27.636 3.073 ( -11.372 40.655 8.307) 43.025 3.356 ( -0.809 16.080 -22.398) 27.584 3.971 ( -4.906 3.031 13.388) 14.577 4.133 ( -4.038 0.170 9.809) 10.608 4.210 ( -1.603 -4.943 19.899) 20.566 4.758 ( -7.037 -6.283 -3.364) 10.016 4.926 ( -4.294 -5.430 -4.653) 8.341 5.079 ( -3.779 -0.440 5.556) 6.733 5.469 ( -4.604 -18.396 2.077) 19.077 5.594 ( -19.828 -12.352 -5.507) 24.000 5.835 ( -12.340 4.302 -35.662) 37.981 5.892 ( -12.788 -14.568 -6.841) 20.556 6.773 ( -3.363 2.590 -24.826) 25.186 7.043 ( -6.906 12.600 7.378) 16.152 7.427 ( -9.725 9.455 -3.586) 14.029 7.664 ( -14.594 8.299 23.734) 29.072 7.874 ( -8.309 -17.989 17.073) 26.156 8.895 ( 4.570 -11.773 -0.917) 12.662 9.052 ( -1.031 1.953 -2.081) 3.034 9.475 ( 6.711 -5.086 2.753) 8.859 9.931 ( 2.204 -12.187 0.097) 12.385 10.129 ( 13.717 -8.526 41.425) 44.462 10.584 ( 0.165 8.315 13.107) 15.523 11.784 ( 6.369 16.229 -16.610) 24.080 12.724 ( 22.982 3.058 -16.162) 28.262 13.037 ( 16.065 2.284 9.352) 18.729 13.779 ( 2.990 -0.300 14.589) 14.896 14.022 ( 20.739 9.136 -8.165) 24.088 14.229 ( -18.830 -8.053 5.340) 21.165 14.276 ( 1.754 -0.871 -5.277) 5.629 14.865 ( 5.703 -5.727 -4.056) 9.043 15.259 ( 7.951 -0.578 6.517) 10.297 15.796 ( 6.033 -6.115 -8.654) 12.194 16.185 ( -6.551 -0.295 5.706) 8.693 16.371 ( 0.025 0.316 7.437) 7.444 16.899 ( -3.360 -10.845 -10.866) 15.716 17.262 ( 5.213 -1.069 -3.952) 6.629 17.989 ( 27.784 -6.169 2.574) 28.577 18.142 ( 18.528 2.595 -1.859) 18.801 19.412 ( -36.922 -8.504 6.886) 38.510 19.706 ( -36.828 4.637 1.942) 37.169 20.238 ( -41.360 -10.373 -1.261) 42.659 20.573 ( -18.439 -10.155 -7.550) 22.363 21.504 ( -4.632 9.215 9.659) 14.130 22.592 ( -5.695 2.819 -23.299) 24.150 ======================= Grid point 212 (78/147) ======================= q-point: (-0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -0.000 13.383 33.740) 36.297 1.563 ( -0.000 24.188 41.476) 48.014 2.465 ( -0.000 64.465 26.167) 69.573 3.014 ( -0.000 4.324 -28.583) 28.908 3.226 ( -0.000 17.534 -26.902) 32.112 3.922 ( -0.000 0.286 14.495) 14.498 4.093 ( 0.000 -0.055 8.663) 8.663 4.242 ( 0.000 -7.138 23.081) 24.160 4.722 ( 0.000 -5.802 -4.430) 7.300 4.924 ( 0.000 -3.247 -2.216) 3.932 5.008 ( -0.000 2.722 -6.827) 7.350 5.469 ( 0.000 -5.323 -10.624) 11.883 5.574 ( 0.000 -18.174 4.056) 18.621 5.698 ( 0.000 -5.844 -28.730) 29.318 5.889 ( 0.000 -16.432 -4.851) 17.133 6.703 ( -0.000 7.196 -25.148) 26.157 6.897 ( -0.000 11.419 6.221) 13.003 7.256 ( -0.000 10.651 -3.252) 11.136 7.449 ( -0.000 9.396 28.255) 29.777 7.945 ( 0.000 -20.826 13.254) 24.686 9.000 ( -0.000 1.033 -1.509) 1.828 9.046 ( 0.000 -5.456 -0.599) 5.489 9.578 ( 0.000 -4.639 2.986) 5.517 10.040 ( 0.000 -10.669 -3.394) 11.196 10.453 ( 0.000 -15.833 43.592) 46.378 10.595 ( 0.000 -11.408 35.552) 37.337 11.764 ( -0.000 10.465 -11.731) 15.721 13.084 ( 0.000 -1.216 -9.178) 9.258 13.355 ( 0.000 -6.624 13.526) 15.061 13.424 ( 0.000 -0.293 6.887) 6.893 14.067 ( 0.000 -2.345 14.951) 15.134 14.233 ( 0.000 -0.167 -15.912) 15.913 14.347 ( -0.000 2.075 0.619) 2.165 14.947 ( 0.000 -6.090 -12.887) 14.254 15.361 ( -0.000 0.512 6.581) 6.601 15.926 ( 0.000 -0.121 20.535) 20.536 15.995 ( 0.000 -3.908 -8.169) 9.056 16.363 ( -0.000 1.075 2.980) 3.168 16.966 ( 0.000 -6.065 -11.118) 12.665 17.321 ( 0.000 -0.084 -19.910) 19.910 18.471 ( -0.000 0.005 12.959) 12.959 18.482 ( 0.000 -4.510 7.939) 9.130 19.041 ( -0.000 8.352 -12.005) 14.624 19.054 ( 0.000 -0.037 -4.604) 4.604 19.793 ( 0.000 -14.811 13.551) 20.075 20.475 ( 0.000 -11.208 -8.363) 13.984 21.378 ( -0.000 13.255 7.957) 15.460 22.451 ( -0.000 16.299 -32.313) 36.191 ======================= Grid point 217 (79/147) ======================= q-point: ( 0.23 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.408 ( 21.477 -0.000 7.909) 22.887 3.637 ( 13.007 -0.000 6.635) 14.601 4.137 ( 6.542 -0.000 -11.066) 12.855 4.341 ( 5.006 -0.000 -17.962) 18.647 4.600 ( 5.105 -0.000 5.447) 7.465 4.630 ( -7.419 0.000 5.905) 9.482 4.722 ( 4.296 -0.000 15.052) 15.653 4.842 ( 3.343 -0.000 -3.348) 4.731 5.193 ( 3.026 -0.000 -7.688) 8.262 5.275 ( 1.839 -0.000 7.962) 8.172 5.530 ( 4.468 -0.000 13.395) 14.121 6.399 ( -0.774 0.000 -11.345) 11.371 6.547 ( -1.010 0.000 1.305) 1.650 7.324 ( 2.413 -0.000 -5.643) 6.137 8.023 ( -6.860 0.000 5.429) 8.748 8.197 ( -1.534 0.000 4.684) 4.928 8.335 ( -0.635 0.000 -4.856) 4.897 8.387 ( 3.843 -0.000 -19.289) 19.668 8.903 ( 4.275 -0.000 -3.083) 5.271 9.019 ( 8.050 -0.000 -12.489) 14.859 9.316 ( 0.627 -0.000 20.330) 20.340 9.882 ( 14.528 -0.000 18.739) 23.711 9.936 ( 5.085 -0.000 -2.889) 5.849 10.218 ( -3.790 0.000 5.580) 6.745 10.345 ( 0.255 -0.000 4.937) 4.944 10.624 ( 11.299 -0.000 1.865) 11.451 11.588 ( -13.228 0.000 -2.684) 13.498 11.786 ( 20.209 -0.000 -20.391) 28.708 12.033 ( 11.983 -0.000 5.348) 13.122 12.582 ( 9.807 -0.000 4.078) 10.621 13.033 ( -22.427 0.000 4.161) 22.810 13.322 ( -9.568 0.000 1.870) 9.749 13.758 ( -7.396 0.000 0.198) 7.398 13.765 ( 6.368 -0.000 -1.676) 6.585 14.163 ( -5.185 0.000 -3.947) 6.516 14.763 ( -3.137 0.000 -11.692) 12.106 15.074 ( -4.460 0.000 4.702) 6.480 15.172 ( -4.274 0.000 1.575) 4.555 17.303 ( 0.619 -0.000 2.432) 2.509 17.463 ( -3.643 0.000 -1.210) 3.838 17.874 ( -2.041 0.000 -0.426) 2.085 17.878 ( -0.076 0.000 -1.247) 1.249 21.538 ( 1.267 -0.000 2.124) 2.473 21.662 ( 2.169 -0.000 -0.958) 2.371 22.723 ( 11.779 -0.000 0.421) 11.787 22.798 ( 12.575 -0.000 -1.561) 12.671 23.134 ( -3.237 0.000 0.327) 3.254 23.136 ( -1.685 0.000 0.475) 1.750 ======================= Grid point 218 (80/147) ======================= q-point: ( 0.31 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.688 ( 10.206 8.296 4.670) 13.957 3.823 ( 6.016 1.256 4.618) 7.688 4.185 ( -1.266 -0.996 -7.761) 7.926 4.358 ( -2.374 -0.820 -12.325) 12.578 4.479 ( -8.131 -0.336 5.617) 9.889 4.647 ( -0.188 0.678 8.974) 9.002 4.772 ( -1.897 -6.164 11.281) 12.995 4.901 ( 1.846 -1.883 -9.227) 9.596 5.164 ( -0.152 10.595 1.392) 10.687 5.375 ( 0.139 -15.930 5.943) 17.003 5.583 ( 0.365 -2.574 4.277) 5.005 6.302 ( -2.675 15.647 -1.895) 15.986 6.562 ( -4.538 -16.168 -3.145) 17.085 7.276 ( -7.094 0.461 -2.180) 7.435 7.900 ( -8.083 8.017 -0.808) 11.413 8.002 ( -10.731 -2.897 0.210) 11.117 8.302 ( 0.731 17.998 -3.877) 18.426 8.401 ( -1.673 -0.323 -15.313) 15.407 8.918 ( -7.140 -13.789 -2.573) 15.740 9.079 ( -4.450 -3.808 -9.338) 11.023 9.255 ( -7.555 0.263 18.917) 20.372 9.889 ( -6.582 4.684 -5.243) 9.631 10.023 ( -13.055 -2.703 2.965) 13.658 10.122 ( 0.592 -1.936 14.435) 14.576 10.345 ( 4.004 1.032 11.996) 12.689 10.770 ( 2.672 2.446 3.866) 5.298 11.306 ( -14.380 -0.612 1.943) 14.523 12.185 ( 17.823 3.319 -20.896) 27.664 12.284 ( 13.264 -7.791 -2.098) 15.525 12.622 ( -15.031 -0.843 7.595) 16.862 12.715 ( 0.922 -4.057 -5.934) 7.247 13.232 ( -1.479 3.580 0.306) 3.885 13.626 ( 0.936 2.133 15.167) 15.345 13.959 ( 12.159 2.359 -4.833) 13.295 14.166 ( 3.467 -0.781 -5.989) 6.964 14.782 ( 5.151 -0.236 -11.713) 12.797 15.118 ( 8.847 1.276 5.609) 10.553 15.227 ( 10.771 0.817 1.142) 10.862 17.314 ( 0.143 -0.137 1.079) 1.097 17.355 ( -8.005 -0.178 0.130) 8.008 17.794 ( -6.517 -0.581 0.525) 6.564 17.870 ( -0.631 0.012 -1.822) 1.928 21.523 ( -2.667 0.841 2.465) 3.728 21.678 ( 0.243 2.214 -1.362) 2.611 22.822 ( -2.513 -0.961 -0.098) 2.692 22.914 ( -5.891 -0.433 -3.518) 6.875 23.024 ( -7.636 0.076 1.471) 7.776 23.045 ( -3.492 -1.297 2.017) 4.236 ======================= Grid point 219 (81/147) ======================= q-point: (-0.62 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.690 ( -1.234 13.588 1.211) 13.697 3.796 ( -4.152 10.234 1.212) 11.111 4.113 ( -7.675 -1.119 -3.770) 8.624 4.261 ( -8.010 3.059 -5.329) 10.095 4.378 ( -4.219 -8.232 -0.622) 9.272 4.583 ( -6.123 -0.233 11.612) 13.129 4.730 ( -6.274 -3.527 5.680) 9.169 4.927 ( -3.203 -8.579 -8.038) 12.185 5.078 ( -1.931 6.369 7.615) 10.113 5.434 ( -3.183 -5.156 12.466) 13.861 5.604 ( -3.780 -11.766 -7.985) 14.714 6.082 ( -9.071 11.880 9.643) 17.788 6.590 ( -5.345 -16.643 -9.765) 20.023 7.092 ( -11.440 0.132 -1.476) 11.536 7.468 ( -20.616 18.844 1.185) 27.956 7.929 ( -7.572 6.731 -17.899) 20.567 8.123 ( -5.518 5.667 3.006) 8.461 8.352 ( -1.298 2.113 -9.175) 9.504 8.835 ( -13.300 -14.377 -4.783) 20.161 8.912 ( -16.994 -10.815 -5.197) 20.803 9.037 ( -14.095 -0.645 18.192) 23.022 9.607 ( -16.480 6.237 3.892) 18.046 9.811 ( -13.458 -4.024 -5.187) 14.973 9.926 ( -17.732 -1.325 0.734) 17.797 10.438 ( 3.409 6.893 20.971) 22.336 10.717 ( -4.191 1.849 5.155) 6.896 11.137 ( -3.457 -5.006 4.978) 7.860 12.260 ( 0.741 6.880 -7.237) 10.013 12.571 ( 5.867 -2.822 -18.158) 19.290 12.644 ( 10.469 -1.398 7.158) 12.760 12.779 ( 5.873 -8.672 -9.671) 14.256 13.193 ( 5.154 0.180 4.738) 7.004 13.837 ( 18.110 5.127 15.320) 24.268 14.173 ( 12.963 1.948 -6.230) 14.514 14.266 ( 6.986 0.088 -6.001) 9.210 14.943 ( 11.650 0.855 -12.993) 17.472 15.363 ( 17.582 3.962 8.787) 20.051 15.544 ( 21.950 2.476 1.023) 22.113 17.155 ( -14.169 -3.412 1.309) 14.632 17.289 ( -3.894 -0.766 -2.378) 4.626 17.642 ( -9.874 -2.077 3.668) 10.736 17.859 ( -0.459 -0.243 -2.493) 2.547 21.413 ( -8.422 1.675 3.309) 9.203 21.635 ( -2.500 3.822 -2.181) 5.061 22.589 ( -22.514 1.555 -0.562) 22.575 22.637 ( -18.614 -1.956 -2.450) 18.876 22.823 ( -14.591 -1.324 4.201) 15.241 23.020 ( -4.847 -3.453 -1.304) 6.092 ======================= Grid point 220 (82/147) ======================= q-point: (-0.54 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.438 ( -14.457 13.070 -1.235) 19.528 3.589 ( -6.770 16.205 2.381) 17.723 3.905 ( -13.065 2.934 -7.516) 15.356 4.043 ( -10.759 5.481 -2.749) 12.383 4.338 ( -8.749 -6.152 6.541) 12.537 4.476 ( -5.564 -7.693 1.829) 9.669 4.589 ( -9.116 0.167 8.166) 12.240 4.903 ( -8.191 -13.543 -5.303) 16.692 4.998 ( -2.777 4.160 7.918) 9.366 5.345 ( -6.984 1.200 4.409) 8.346 5.493 ( -11.428 6.460 6.044) 14.452 5.891 ( -10.368 -15.845 8.423) 20.724 6.540 ( -13.825 -0.421 -11.000) 17.672 6.751 ( -17.625 8.791 -1.751) 19.773 7.009 ( -15.063 7.190 -2.608) 16.893 7.559 ( -19.766 10.291 -20.311) 30.152 7.969 ( -14.276 -6.582 3.351) 16.073 8.353 ( 0.119 3.810 -7.982) 8.845 8.603 ( -12.860 0.219 -3.726) 13.391 8.667 ( -20.489 -15.573 -3.172) 25.931 8.807 ( -10.007 -8.381 14.787) 19.724 9.207 ( -20.937 3.757 9.745) 23.397 9.545 ( -20.365 -6.993 0.183) 21.532 9.579 ( -14.462 -0.889 -7.388) 16.264 10.351 ( -2.789 13.100 17.116) 21.734 10.668 ( 0.150 -0.798 6.129) 6.182 11.244 ( 8.077 -8.104 3.615) 11.999 12.271 ( 5.903 12.600 -13.323) 19.264 12.586 ( 3.912 5.068 -3.677) 7.383 12.840 ( 12.599 0.456 -8.163) 15.019 13.115 ( 17.449 -9.827 3.422) 20.316 13.484 ( 20.237 -3.697 4.391) 21.035 14.066 ( 10.477 5.060 7.368) 13.772 14.358 ( 5.767 -0.690 0.244) 5.813 14.565 ( 24.997 3.113 -8.889) 26.712 15.204 ( 17.478 5.407 -13.812) 22.923 15.673 ( 17.713 7.463 10.918) 22.105 15.952 ( 21.734 4.752 0.560) 22.254 16.897 ( -16.919 -12.389 1.519) 21.025 17.146 ( -13.633 -5.905 -6.969) 16.410 17.474 ( -9.017 -1.922 9.165) 13.000 17.862 ( 0.385 -1.103 -3.429) 3.623 21.154 ( -17.858 2.392 4.927) 18.679 21.522 ( -6.686 3.946 -4.418) 8.933 22.050 ( -32.068 1.905 0.907) 32.137 22.191 ( -29.576 -2.862 -3.530) 29.923 22.474 ( -22.840 -2.227 7.262) 24.069 22.899 ( -10.347 -5.384 -4.237) 12.410 ======================= Grid point 221 (83/147) ======================= q-point: (-0.46 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.984 ( -22.620 13.494 -1.077) 26.361 3.290 ( -12.042 17.519 7.132) 22.423 3.595 ( -15.453 5.284 -12.412) 20.512 3.802 ( -8.795 7.240 -4.117) 12.113 4.182 ( -9.507 -5.038 11.263) 15.577 4.386 ( -9.876 -1.004 0.564) 9.943 4.459 ( -5.188 -4.626 7.225) 10.026 4.752 ( -14.869 -1.401 -2.182) 15.093 4.908 ( -3.937 2.114 1.067) 4.594 5.155 ( -9.386 -0.127 6.239) 11.271 5.266 ( -7.593 1.236 16.593) 18.289 5.775 ( -22.225 -12.371 4.519) 25.834 5.964 ( -18.294 21.030 -1.073) 27.894 6.576 ( -11.012 -8.184 -13.115) 18.980 6.599 ( -26.882 0.769 -11.520) 29.256 7.126 ( -18.212 5.824 -22.397) 29.448 7.696 ( -16.098 -3.350 10.625) 19.577 8.259 ( -20.693 0.061 -7.551) 22.028 8.291 ( -6.644 1.789 -0.717) 6.918 8.351 ( -18.885 -6.631 0.808) 20.032 8.713 ( -18.278 -1.527 14.542) 23.407 8.950 ( 5.205 -6.949 5.290) 10.167 9.223 ( -15.992 -6.822 -1.063) 17.419 9.440 ( -3.852 -9.290 -6.550) 12.002 10.199 ( -3.266 11.624 18.061) 21.725 10.708 ( 2.695 0.488 6.553) 7.102 11.526 ( 15.580 -6.343 -5.518) 17.704 12.255 ( 4.760 16.083 -18.253) 24.788 12.765 ( 17.844 7.886 8.162) 21.148 13.163 ( 22.425 3.393 -6.881) 23.701 13.495 ( 16.056 -3.548 5.444) 17.321 13.894 ( 19.426 0.613 2.555) 19.603 14.260 ( 13.098 -0.074 -0.776) 13.121 14.454 ( 3.744 -1.243 1.763) 4.321 14.995 ( 19.526 6.041 -3.034) 20.663 15.477 ( 16.014 12.120 -10.437) 22.633 15.883 ( 8.659 1.285 6.834) 11.106 16.246 ( 11.882 6.193 -2.736) 13.676 16.809 ( -2.456 -18.582 0.792) 18.760 16.929 ( -12.556 -14.491 -4.378) 19.667 17.311 ( -9.635 -2.395 12.066) 15.625 17.892 ( 1.312 -2.350 -5.659) 6.267 20.683 ( -29.894 1.368 7.299) 30.802 21.264 ( -23.774 2.508 -7.982) 25.204 21.379 ( -32.839 0.629 1.336) 32.872 21.585 ( -35.003 -3.304 -2.626) 35.256 22.038 ( -22.161 -2.173 10.604) 24.663 22.741 ( -9.779 -6.226 -7.899) 14.028 ======================= Grid point 222 (84/147) ======================= q-point: (-0.38 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -28.941 14.223 1.139) 32.267 2.857 ( -20.366 17.560 19.964) 33.491 3.293 ( -10.366 5.901 -21.325) 24.434 3.630 ( -2.978 8.438 -7.051) 11.392 4.080 ( -5.063 -4.343 11.860) 13.608 4.199 ( -8.452 5.225 3.895) 10.673 4.323 ( -6.800 11.308 7.509) 15.182 4.447 ( -10.761 11.108 3.502) 15.857 4.810 ( -7.006 -3.126 0.012) 7.672 5.011 ( -9.277 3.021 6.407) 11.672 5.119 ( -9.508 -0.728 11.573) 14.996 5.274 ( -14.448 0.045 4.580) 15.157 5.738 ( -14.525 -16.394 -1.914) 21.987 5.995 ( -32.916 -0.537 -11.151) 34.757 6.351 ( -16.339 1.854 -26.992) 31.607 6.826 ( -10.524 -2.711 -18.561) 21.508 7.453 ( -9.610 5.036 9.080) 14.148 7.813 ( -19.582 2.598 0.387) 19.758 7.953 ( -19.874 -0.698 4.039) 20.293 8.142 ( -17.196 3.214 9.266) 19.796 8.523 ( -1.576 -13.749 6.491) 15.286 9.061 ( -6.493 -6.251 -1.763) 9.184 9.181 ( 9.896 -7.086 1.261) 12.237 9.551 ( 5.397 -13.089 -6.675) 15.653 10.074 ( -1.665 7.867 24.248) 25.547 10.735 ( 1.870 4.660 9.604) 10.838 11.885 ( 17.046 1.877 -17.268) 24.337 12.283 ( 9.296 6.240 -18.783) 21.867 13.065 ( 20.548 16.111 14.213) 29.729 13.570 ( 19.367 3.393 0.591) 19.671 13.789 ( 17.581 3.502 8.077) 19.662 14.189 ( 12.630 5.948 -9.928) 17.131 14.422 ( -8.111 -6.704 -0.555) 10.538 14.572 ( 12.303 -1.148 3.489) 12.840 15.122 ( 1.532 0.970 6.236) 6.494 15.650 ( 7.352 4.918 -12.155) 15.032 16.058 ( 7.255 -4.845 -0.934) 8.774 16.352 ( 6.556 0.938 -4.894) 8.234 16.825 ( -11.124 -13.300 5.937) 18.327 17.014 ( 5.366 -5.414 3.487) 8.382 17.351 ( 19.441 -8.174 5.439) 21.780 17.947 ( 2.641 -3.499 -9.497) 10.460 20.024 ( -37.997 -1.551 10.545) 39.463 20.532 ( -42.133 1.798 2.237) 42.230 20.833 ( -31.946 -4.677 -7.691) 33.190 20.939 ( -34.959 -2.605 -3.247) 35.206 21.734 ( -10.608 0.071 11.111) 15.362 22.637 ( -5.178 -4.683 -12.114) 13.982 ======================= Grid point 223 (85/147) ======================= q-point: (-0.31 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -28.938 14.220 11.942) 34.384 2.303 ( -20.370 20.550 31.400) 42.699 3.138 ( -1.897 6.037 -26.941) 27.674 3.557 ( 1.904 11.176 -12.400) 16.801 3.891 ( -3.583 46.682 6.844) 47.317 4.016 ( -6.311 1.664 9.731) 11.717 4.143 ( -3.798 5.500 15.105) 16.518 4.227 ( -1.707 9.226 9.487) 13.344 4.682 ( -7.696 -2.917 -1.415) 8.351 4.808 ( -7.415 -9.622 -9.356) 15.333 5.041 ( -2.115 -4.592 13.994) 14.880 5.210 ( -4.936 -16.865 4.477) 18.133 5.439 ( -25.730 -7.048 -5.364) 27.212 5.615 ( -10.214 -17.541 -3.926) 20.674 6.010 ( -11.524 11.685 -35.907) 39.480 6.744 ( -3.228 -6.451 -22.565) 23.690 7.214 ( -8.159 10.772 4.813) 14.345 7.542 ( -7.635 5.047 0.162) 9.154 7.668 ( -11.071 -8.319 14.666) 20.171 7.789 ( -12.474 8.538 18.449) 23.850 8.679 ( 3.137 -18.039 1.532) 18.374 9.032 ( -1.539 -4.571 -1.562) 5.070 9.391 ( 6.476 -6.246 1.094) 9.064 9.755 ( 4.263 -12.109 -5.773) 14.076 10.069 ( 5.481 0.167 34.995) 35.422 10.715 ( 1.331 8.799 13.316) 16.016 12.020 ( 5.703 15.409 -17.858) 24.267 12.603 ( 17.939 -12.407 -26.036) 33.965 13.247 ( 12.809 19.571 15.264) 27.930 13.790 ( 0.860 1.377 14.202) 14.295 14.086 ( -12.945 -6.582 5.143) 15.406 14.145 ( 11.867 2.343 3.193) 12.510 14.286 ( 1.051 2.853 -12.690) 13.049 14.819 ( 8.953 -0.121 -7.432) 11.636 15.224 ( 6.864 -4.140 9.475) 12.410 15.687 ( 0.072 -8.775 -10.084) 13.367 16.174 ( -3.485 -1.208 5.040) 6.246 16.364 ( -7.804 -1.115 11.792) 14.185 16.764 ( 6.033 -7.575 -15.988) 18.692 17.244 ( 10.621 -1.097 0.753) 10.704 17.927 ( 27.248 -2.948 -3.513) 27.631 18.152 ( 24.883 -0.978 -3.356) 25.127 19.314 ( -37.244 -4.709 11.735) 39.332 19.751 ( -36.069 1.093 4.442) 36.358 20.137 ( -43.122 -4.542 -3.852) 43.531 20.447 ( -18.255 -6.803 -5.506) 20.245 21.591 ( -4.020 2.975 9.579) 10.805 22.599 ( -1.615 -1.077 -16.884) 16.995 ======================= Grid point 224 (86/147) ======================= q-point: (-0.23 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -0.000 14.591 28.054) 31.622 1.914 ( -0.000 24.343 36.676) 44.019 3.088 ( -0.000 5.726 -28.038) 28.617 3.424 ( -0.000 65.286 12.384) 66.450 3.483 ( -0.000 16.556 -19.281) 25.414 3.928 ( -0.000 0.636 10.929) 10.948 4.098 ( -0.000 0.846 11.827) 11.858 4.185 ( -0.000 0.932 16.490) 16.517 4.638 ( 0.000 -5.615 -4.221) 7.024 4.828 ( 0.000 -10.231 -6.082) 11.902 5.039 ( -0.000 1.435 -6.703) 6.855 5.249 ( 0.000 -17.440 10.753) 20.489 5.299 ( 0.000 -19.237 4.845) 19.838 5.639 ( 0.000 -17.512 -5.034) 18.221 5.802 ( -0.000 13.007 -39.533) 41.618 6.748 ( 0.000 -1.621 -28.137) 28.184 7.056 ( -0.000 10.241 5.700) 11.721 7.406 ( -0.000 9.686 -3.294) 10.231 7.592 ( -0.000 9.507 25.419) 27.139 7.667 ( 0.000 -15.659 18.907) 24.550 8.844 ( 0.000 -15.888 -0.116) 15.888 9.044 ( 0.000 -1.737 -1.498) 2.294 9.500 ( 0.000 -6.020 1.618) 6.234 9.870 ( 0.000 -10.854 1.172) 10.917 10.212 ( 0.000 -11.224 41.727) 43.210 10.662 ( -0.000 9.482 15.517) 18.185 11.961 ( -0.000 15.282 -16.247) 22.305 12.930 ( 0.000 -16.161 -27.039) 31.500 13.419 ( 0.000 -0.354 6.910) 6.919 13.439 ( -0.000 13.853 22.557) 26.471 14.048 ( 0.000 -0.480 13.696) 13.704 14.230 ( 0.000 -0.201 -15.947) 15.948 14.369 ( -0.000 0.885 1.995) 2.183 14.891 ( 0.000 -1.596 -16.084) 16.163 15.341 ( 0.000 -2.998 10.440) 10.862 15.872 ( 0.000 -11.944 -4.260) 12.681 15.924 ( 0.000 -0.146 20.557) 20.557 16.353 ( 0.000 -2.483 1.691) 3.003 16.911 ( 0.000 -1.248 -14.378) 14.432 17.320 ( 0.000 -0.102 -19.900) 19.900 18.427 ( 0.000 -2.907 9.083) 9.536 18.471 ( -0.000 0.006 12.937) 12.937 19.053 ( 0.000 -0.044 -4.599) 4.599 19.120 ( -0.000 2.733 -11.435) 11.757 19.633 ( 0.000 -8.565 13.101) 15.652 20.328 ( 0.000 -8.435 -6.680) 10.760 21.521 ( -0.000 6.328 8.826) 10.860 22.574 ( -0.000 3.222 -21.451) 21.692 ======================= Grid point 231 (87/147) ======================= q-point: (-0.69 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.800 ( -3.340 0.000 -0.324) 3.355 3.894 ( 0.393 -0.000 -0.455) 0.601 4.091 ( -6.470 0.000 -0.568) 6.494 4.280 ( -4.940 0.000 -9.985) 11.140 4.311 ( -9.317 0.000 5.999) 11.081 4.632 ( -2.427 0.000 8.158) 8.512 4.637 ( -8.772 0.000 12.407) 15.194 4.857 ( -5.680 0.000 -9.851) 11.371 5.242 ( -1.641 0.000 15.898) 15.983 5.261 ( -0.137 0.000 -7.179) 7.180 5.531 ( -4.722 0.000 1.535) 4.965 6.270 ( -14.200 0.000 7.935) 16.267 6.382 ( -0.876 0.000 -10.142) 10.180 7.088 ( -11.398 0.000 -0.182) 11.399 7.616 ( -20.475 0.000 2.175) 20.591 7.923 ( -3.174 0.000 -15.165) 15.494 8.332 ( -3.252 0.000 -7.588) 8.255 8.376 ( -3.605 0.000 -2.675) 4.489 8.562 ( -19.747 0.000 -0.494) 19.753 8.867 ( -15.824 0.000 -8.733) 18.074 9.037 ( -14.488 0.000 18.335) 23.368 9.702 ( -16.883 0.000 6.033) 17.928 9.728 ( -14.237 0.000 -7.388) 16.039 9.922 ( -16.559 0.000 -0.894) 16.584 10.490 ( 6.390 -0.000 21.207) 22.149 10.734 ( -6.116 0.000 4.554) 7.626 11.098 ( -4.973 0.000 5.934) 7.743 12.319 ( 0.528 -0.000 -0.237) 0.579 12.536 ( 10.254 -0.000 -27.378) 29.236 12.633 ( 14.821 -0.000 12.275) 19.244 12.713 ( 2.656 -0.000 -13.476) 13.736 13.201 ( 2.300 -0.000 4.827) 5.347 13.877 ( 18.868 -0.000 18.739) 26.592 14.183 ( 10.025 -0.000 -6.522) 11.960 14.269 ( 8.903 -0.000 -8.129) 12.056 14.947 ( 12.208 -0.000 -13.434) 18.152 15.396 ( 18.767 -0.000 8.477) 20.592 15.563 ( 22.294 -0.000 1.175) 22.325 17.129 ( -15.924 0.000 1.395) 15.985 17.283 ( -4.599 0.000 -2.997) 5.490 17.627 ( -9.946 0.000 4.214) 10.802 17.858 ( -0.633 0.000 -2.546) 2.624 21.426 ( -8.248 0.000 3.502) 8.961 21.665 ( -2.646 0.000 -2.401) 3.573 22.605 ( -23.000 0.000 -0.923) 23.019 22.618 ( -18.128 0.000 -1.676) 18.205 22.813 ( -14.812 0.000 3.694) 15.266 22.993 ( -5.104 0.000 -1.075) 5.216 ======================= Grid point 233 (88/147) ======================= q-point: (-0.62 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.579 ( -16.193 5.428 -3.829) 17.502 3.793 ( -6.742 9.706 -4.583) 12.675 3.939 ( -10.698 2.015 1.540) 10.995 4.109 ( -10.178 2.857 5.181) 11.772 4.222 ( -4.958 -8.260 -3.259) 10.170 4.429 ( -9.938 1.301 8.414) 13.086 4.571 ( -7.477 -2.693 8.845) 11.891 4.722 ( -9.558 -7.928 -6.964) 14.237 5.123 ( -1.959 12.353 5.464) 13.649 5.317 ( -3.645 -9.334 8.139) 12.909 5.418 ( -8.325 -6.720 -5.954) 12.244 5.899 ( -18.724 8.909 11.550) 23.735 6.386 ( -5.032 -10.929 -8.231) 14.578 6.848 ( -14.954 1.830 -4.090) 15.611 7.186 ( -20.094 10.241 2.512) 22.692 7.707 ( -19.222 5.211 -21.688) 29.445 7.962 ( -18.773 10.238 4.556) 21.863 8.342 ( -18.616 -23.612 -1.834) 30.124 8.427 ( 3.778 5.024 -7.360) 9.679 8.565 ( -12.301 -4.291 -6.445) 14.535 8.756 ( -13.214 -0.856 17.129) 21.651 9.300 ( -20.892 8.203 4.982) 22.991 9.428 ( -20.835 -8.749 1.218) 22.630 9.581 ( -17.237 0.335 -7.211) 18.688 10.522 ( -1.779 9.960 13.792) 17.105 10.631 ( -1.758 -4.747 8.476) 9.873 11.153 ( 8.629 -3.640 6.107) 11.181 12.420 ( 11.067 7.031 -4.343) 13.812 12.597 ( 0.113 -2.127 -16.818) 16.952 12.857 ( 14.101 1.482 -14.570) 20.331 12.999 ( 19.340 -5.072 9.344) 22.070 13.451 ( 21.363 -0.990 6.616) 22.386 14.135 ( 9.421 3.240 14.228) 17.369 14.345 ( 6.507 -0.838 -3.886) 7.625 14.599 ( 25.337 1.275 -9.124) 26.960 15.244 ( 18.731 0.866 -14.483) 23.693 15.786 ( 22.791 5.662 9.766) 25.433 16.002 ( 22.790 1.893 1.326) 22.907 16.753 ( -24.572 -6.086 2.015) 25.395 17.079 ( -18.059 -2.655 -8.861) 20.291 17.459 ( -7.745 -0.404 9.976) 12.636 17.850 ( -0.312 -0.521 -3.175) 3.233 21.183 ( -17.656 1.237 5.128) 18.427 21.566 ( -7.540 1.701 -4.682) 9.037 22.071 ( -32.340 0.838 0.507) 32.355 22.157 ( -29.957 -1.439 -1.652) 30.037 22.450 ( -22.996 -0.879 5.866) 23.749 22.841 ( -10.624 -2.204 -3.978) 11.556 ======================= Grid point 234 (89/147) ======================= q-point: (-0.54 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.147 ( -23.569 8.217 -3.639) 25.225 3.517 ( -13.343 13.095 1.504) 18.756 3.654 ( -15.934 3.067 -4.633) 16.875 3.896 ( -8.367 4.850 4.294) 10.581 4.135 ( -7.658 -1.419 6.553) 10.179 4.325 ( -4.145 -6.679 -7.018) 10.538 4.398 ( -9.463 -2.333 11.852) 15.344 4.625 ( -9.196 -11.108 -4.025) 14.972 4.991 ( -4.254 8.447 3.706) 10.158 5.192 ( -9.771 2.026 -4.083) 10.781 5.316 ( -9.572 0.468 13.793) 16.795 5.521 ( -17.859 -10.292 8.268) 22.209 6.298 ( -13.055 2.939 -7.824) 15.501 6.424 ( -21.712 1.962 -4.899) 22.344 6.710 ( -23.113 12.192 -2.366) 26.238 7.232 ( -20.419 8.131 -15.364) 26.816 7.647 ( -12.675 -2.317 3.430) 13.334 8.084 ( -19.661 -19.493 -6.761) 28.500 8.322 ( -10.799 1.275 -1.593) 10.990 8.336 ( -18.596 2.099 0.751) 18.729 8.718 ( -3.162 1.136 7.364) 8.094 8.890 ( -7.765 -0.153 7.074) 10.505 9.111 ( -16.589 -8.433 2.356) 18.758 9.346 ( -6.646 -3.853 -7.971) 11.071 10.356 ( -5.945 9.321 12.275) 16.520 10.699 ( 4.240 -1.612 10.409) 11.354 11.438 ( 17.015 -4.990 -2.084) 17.853 12.459 ( 2.073 11.308 -18.609) 21.874 12.815 ( 19.752 -0.229 4.491) 20.257 13.219 ( 24.596 4.085 -9.988) 26.859 13.411 ( 18.787 -6.429 6.193) 20.800 13.902 ( 22.800 0.075 6.355) 23.669 14.297 ( 11.864 4.176 2.498) 12.823 14.450 ( 4.485 -0.013 -0.849) 4.565 15.074 ( 22.122 4.479 -1.827) 22.645 15.603 ( 18.423 4.345 -11.065) 21.925 15.977 ( -3.506 11.999 5.493) 13.654 16.330 ( 9.362 4.571 -2.778) 10.783 16.540 ( 3.867 -17.582 2.957) 18.243 16.732 ( -14.962 -11.667 -6.869) 20.178 17.290 ( -11.307 -0.731 12.294) 16.720 17.856 ( 0.020 -2.138 -5.042) 5.476 20.711 ( -30.601 1.944 7.408) 31.545 21.293 ( -24.076 1.403 -8.930) 25.717 21.381 ( -37.790 -0.285 1.519) 37.822 21.552 ( -32.240 -1.138 0.039) 32.260 22.005 ( -22.178 -2.072 8.990) 24.021 22.667 ( -8.742 -3.616 -7.531) 12.092 ======================= Grid point 235 (90/147) ======================= q-point: (-0.46 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( -30.269 9.752 -0.453) 31.804 3.089 ( -20.627 14.211 20.019) 32.065 3.362 ( -10.485 3.571 -19.193) 22.160 3.745 ( -2.712 7.017 -0.219) 7.526 4.032 ( -3.274 -0.910 8.068) 8.754 4.198 ( -8.112 -2.584 1.716) 8.685 4.385 ( 0.710 -3.342 2.427) 4.191 4.513 ( -7.686 -3.405 -4.246) 9.418 4.801 ( -10.845 6.071 -2.952) 12.774 5.000 ( -6.831 -0.265 5.280) 8.638 5.095 ( -10.724 -1.178 16.485) 19.702 5.325 ( -14.510 -10.586 4.073) 18.417 5.769 ( -20.047 22.393 -1.740) 30.106 6.021 ( -30.935 5.015 -10.942) 33.194 6.295 ( -12.297 -6.072 -9.717) 16.808 6.844 ( -15.190 4.697 -13.641) 20.950 7.493 ( -4.785 1.284 2.822) 5.701 7.843 ( -20.187 -0.790 -2.499) 20.356 7.919 ( -18.671 -6.916 -0.005) 19.911 8.118 ( -11.970 -5.061 -2.727) 13.279 8.417 ( -12.104 1.987 16.863) 20.852 8.936 ( -6.691 -10.422 0.714) 12.406 9.091 ( 10.468 -4.986 0.239) 11.597 9.394 ( 5.530 -8.214 -7.164) 12.222 10.193 ( -4.006 7.876 18.043) 20.090 10.782 ( 4.130 1.845 12.286) 13.092 11.842 ( 20.461 -5.104 -15.044) 25.904 12.418 ( 2.177 9.806 -18.060) 20.665 13.240 ( 25.486 7.561 12.687) 29.456 13.632 ( 18.807 4.653 -1.187) 19.410 13.779 ( 16.330 -3.303 5.519) 17.551 14.283 ( 16.279 2.942 -5.958) 17.583 14.372 ( -8.489 3.487 0.584) 9.196 14.594 ( 13.615 2.639 0.801) 13.892 15.121 ( -9.013 -1.014 9.015) 12.788 15.732 ( -4.138 6.491 -12.771) 14.911 15.996 ( 8.029 -3.453 -1.574) 8.881 16.290 ( 5.634 -9.955 -12.110) 16.658 16.714 ( -0.577 -0.758 12.617) 12.653 16.953 ( 3.983 -3.776 4.688) 7.218 17.248 ( 25.861 -5.777 3.759) 26.764 17.883 ( 0.516 -4.698 -9.949) 11.015 20.023 ( -38.884 0.928 11.415) 40.535 20.547 ( -44.315 0.273 3.830) 44.481 20.771 ( -31.127 -3.422 -7.421) 32.181 20.923 ( -36.253 -0.156 -3.361) 36.408 21.715 ( -10.145 -2.078 10.259) 14.577 22.580 ( -2.992 -2.988 -11.125) 11.901 ======================= Grid point 236 (91/147) ======================= q-point: (-0.38 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -29.529 10.789 11.231) 33.384 2.590 ( -17.060 18.304 27.684) 37.316 3.220 ( -1.780 5.018 -25.781) 26.325 3.688 ( 1.939 7.618 -5.145) 9.395 3.998 ( -2.275 -0.229 7.504) 7.845 4.126 ( -0.690 0.025 8.413) 8.442 4.335 ( -3.148 11.070 -0.575) 11.524 4.426 ( -1.041 4.222 1.351) 4.553 4.626 ( -4.212 -7.897 -10.440) 13.751 4.891 ( -9.894 12.446 2.999) 16.180 4.946 ( -3.588 -9.301 13.490) 16.774 5.072 ( -7.804 9.509 13.985) 18.626 5.382 ( -21.274 1.318 -1.976) 21.406 5.422 ( -17.089 -4.931 -10.135) 20.472 6.119 ( -8.916 0.764 -25.155) 26.700 6.636 ( -5.972 -4.919 -12.614) 14.798 7.352 ( -8.777 8.089 1.751) 12.064 7.533 ( -7.288 -2.287 8.240) 11.235 7.670 ( -9.533 3.348 -2.390) 10.383 7.888 ( -11.054 3.157 6.380) 13.147 8.390 ( -0.265 -19.319 9.865) 21.693 8.927 ( -2.057 -9.380 0.469) 9.614 9.303 ( 6.744 -5.429 -0.414) 8.668 9.592 ( 6.234 -9.805 -7.708) 13.943 10.114 ( 1.092 5.088 27.721) 28.205 10.821 ( 2.588 5.534 15.003) 16.199 12.191 ( 10.522 5.798 -20.811) 24.030 12.466 ( 9.310 -3.955 -21.044) 23.349 13.525 ( 7.750 17.821 10.413) 22.047 13.808 ( -1.664 0.821 12.071) 12.213 13.979 ( -12.558 -6.370 7.385) 15.901 14.146 ( 19.167 -2.170 4.730) 19.861 14.374 ( -3.617 8.020 -12.101) 14.961 14.860 ( 10.024 5.461 -8.373) 14.156 15.146 ( 7.010 -6.045 7.807) 12.110 15.538 ( -6.508 -11.772 -10.593) 17.122 16.152 ( -0.627 -1.649 4.644) 4.967 16.351 ( -17.843 -0.286 15.258) 23.479 16.682 ( 17.557 -3.760 -18.401) 25.710 17.234 ( 15.333 -0.344 5.695) 16.360 17.888 ( 20.485 -2.664 -11.080) 23.441 18.125 ( 36.630 -2.264 -4.048) 36.922 19.274 ( -38.713 -1.041 15.536) 41.727 19.738 ( -37.369 -2.459 8.166) 38.330 20.093 ( -44.809 -1.781 -6.560) 45.322 20.377 ( -17.198 -3.135 -3.963) 17.925 21.601 ( -3.918 -1.141 9.562) 10.397 22.578 ( 0.320 -1.475 -14.386) 14.465 ======================= Grid point 237 (92/147) ======================= q-point: (-0.31 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -0.000 12.973 24.051) 27.326 2.259 ( -0.000 22.679 30.490) 38.000 3.174 ( -0.000 5.908 -27.589) 28.215 3.667 ( -0.000 8.643 -10.611) 13.685 3.944 ( -0.000 1.844 7.582) 7.803 4.119 ( -0.000 1.998 15.127) 15.258 4.175 ( -0.000 23.643 -1.042) 23.666 4.410 ( -0.000 31.512 9.580) 32.936 4.562 ( 0.000 -4.820 -4.748) 6.766 4.679 ( -0.000 2.625 -7.965) 8.386 5.016 ( 0.000 -14.208 2.742) 14.470 5.040 ( 0.000 -10.798 18.997) 21.851 5.056 ( 0.000 -4.627 -2.616) 5.315 5.398 ( 0.000 -14.889 -6.042) 16.069 5.984 ( -0.000 9.822 -33.305) 34.723 6.651 ( 0.000 -10.295 -19.362) 21.929 7.188 ( -0.000 7.819 5.399) 9.502 7.508 ( 0.000 -5.038 13.602) 14.505 7.532 ( -0.000 7.448 -3.315) 8.152 7.732 ( -0.000 8.095 15.120) 17.150 8.560 ( 0.000 -22.769 4.396) 23.190 8.974 ( 0.000 -7.649 0.049) 7.649 9.411 ( 0.000 -5.956 0.052) 5.956 9.723 ( 0.000 -9.661 -6.287) 11.526 10.130 ( 0.000 -0.591 35.531) 35.536 10.796 ( -0.000 8.138 15.879) 17.843 12.180 ( -0.000 14.098 -17.707) 22.634 12.697 ( 0.000 -14.804 -25.930) 29.859 13.414 ( 0.000 -0.335 6.935) 6.943 13.666 ( -0.000 15.953 16.865) 23.215 14.051 ( -0.000 0.854 11.189) 11.221 14.227 ( 0.000 -0.190 -15.983) 15.984 14.380 ( -0.000 1.112 4.060) 4.210 14.893 ( -0.000 1.221 -14.873) 14.923 15.285 ( 0.000 -4.311 8.585) 9.607 15.671 ( 0.000 -14.924 -2.838) 15.192 15.921 ( 0.000 -0.137 20.580) 20.580 16.306 ( 0.000 -3.294 2.087) 3.899 16.919 ( -0.000 1.666 -17.016) 17.098 17.318 ( 0.000 -0.096 -19.889) 19.889 18.400 ( 0.000 -0.939 8.649) 8.699 18.471 ( -0.000 0.005 12.914) 12.914 19.053 ( 0.000 -0.041 -4.594) 4.594 19.135 ( -0.000 0.028 -8.756) 8.756 19.512 ( 0.000 -8.636 13.973) 16.427 20.240 ( 0.000 -3.773 -4.684) 6.015 21.567 ( -0.000 0.550 9.215) 9.231 22.590 ( 0.000 -0.245 -16.681) 16.683 ======================= Grid point 246 (93/147) ======================= q-point: (-0.62 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.208 ( -24.177 0.000 -4.632) 24.617 3.625 ( -12.927 0.000 -16.880) 21.261 3.681 ( -18.672 0.000 15.280) 24.127 3.930 ( -8.689 0.000 8.975) 12.492 4.126 ( -2.164 0.000 -0.716) 2.279 4.270 ( -5.441 0.000 3.385) 6.408 4.381 ( -11.944 0.000 5.605) 13.193 4.527 ( -6.845 0.000 -5.835) 8.994 5.135 ( -6.574 0.000 -7.307) 9.829 5.176 ( -3.110 0.000 17.973) 18.240 5.210 ( -10.263 0.000 -4.034) 11.028 5.524 ( -22.570 0.000 10.996) 25.106 6.220 ( -8.912 0.000 -4.308) 9.898 6.496 ( -24.641 0.000 -9.557) 26.429 6.844 ( -19.515 0.000 3.610) 19.846 7.316 ( -22.940 0.000 -12.306) 26.032 7.647 ( -12.482 0.000 -0.604) 12.497 7.873 ( -20.251 0.000 -3.820) 20.608 8.336 ( -10.049 0.000 -2.702) 10.406 8.350 ( -19.061 0.000 1.171) 19.097 8.723 ( 9.044 -0.000 2.670) 9.429 8.925 ( -23.014 0.000 4.840) 23.518 9.017 ( -12.798 0.000 6.889) 14.534 9.320 ( -8.043 0.000 -8.518) 11.715 10.434 ( -8.279 0.000 7.695) 11.303 10.680 ( 5.956 -0.000 14.457) 15.636 11.399 ( 17.557 -0.000 -0.927) 17.582 12.552 ( -1.315 0.000 -19.518) 19.562 12.801 ( 23.194 -0.000 3.523) 23.460 13.261 ( 26.143 -0.000 -14.704) 29.994 13.350 ( 18.706 -0.000 10.839) 21.619 13.901 ( 23.658 -0.000 6.656) 24.576 14.338 ( 12.406 -0.000 5.682) 13.645 14.447 ( 4.608 -0.000 -3.196) 5.608 15.110 ( 23.505 -0.000 -1.106) 23.531 15.627 ( 19.674 -0.000 -9.335) 21.776 16.147 ( -29.415 0.000 -0.981) 29.431 16.290 ( 19.301 -0.000 3.474) 19.611 16.422 ( 18.442 -0.000 3.548) 18.780 16.632 ( -18.338 0.000 -9.916) 20.847 17.285 ( -11.999 0.000 12.277) 17.166 17.839 ( -0.576 0.000 -4.718) 4.753 20.727 ( -30.860 0.000 7.387) 31.732 21.303 ( -23.963 0.000 -9.568) 25.803 21.377 ( -40.392 0.000 2.230) 40.453 21.546 ( -30.587 0.000 0.646) 30.594 21.988 ( -22.387 0.000 8.503) 23.947 22.641 ( -8.185 0.000 -7.466) 11.079 ======================= Grid point 248 (94/147) ======================= q-point: (-0.54 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( -31.360 3.468 -0.763) 31.561 3.247 ( -21.969 6.376 21.289) 31.249 3.395 ( -9.731 0.954 -20.459) 22.676 3.813 ( -2.112 2.142 6.029) 6.738 4.071 ( -1.567 5.218 4.932) 7.349 4.158 ( -9.874 -1.707 -3.164) 10.508 4.286 ( 2.387 -8.294 1.061) 8.695 4.430 ( -5.405 -3.831 -0.281) 6.631 4.930 ( -9.731 9.675 -0.566) 13.734 5.027 ( -8.461 0.788 -5.632) 10.194 5.097 ( -19.026 -3.391 3.073) 19.569 5.145 ( -6.616 -5.641 17.213) 19.284 5.909 ( -31.079 -0.484 -10.806) 32.907 6.059 ( -12.282 -2.378 -4.741) 13.379 6.422 ( -17.649 17.327 4.511) 25.141 6.923 ( -15.378 4.936 -7.903) 17.981 7.508 ( -3.416 1.431 -3.862) 5.351 7.628 ( -11.691 -18.094 -6.226) 22.424 7.903 ( -24.568 1.069 3.303) 24.813 8.091 ( -15.125 -0.045 -2.185) 15.283 8.509 ( -15.344 7.219 11.066) 20.249 8.785 ( -5.615 -8.690 3.452) 10.908 9.041 ( 10.539 -1.804 0.323) 10.697 9.315 ( 5.378 -2.709 -8.053) 10.055 10.281 ( -5.603 3.529 13.393) 14.940 10.794 ( 5.519 0.118 15.552) 16.503 11.782 ( 20.678 -2.411 -13.136) 24.616 12.523 ( -0.055 3.937 -18.438) 18.854 13.301 ( 28.305 1.648 11.864) 30.735 13.682 ( 17.981 1.807 3.407) 18.390 13.735 ( 17.887 -1.934 -0.531) 18.000 14.281 ( 7.523 -0.399 -5.804) 9.510 14.486 ( 2.890 7.674 -0.467) 8.213 14.606 ( 14.038 -1.465 2.100) 14.270 15.104 ( -16.810 -0.848 9.918) 19.536 15.834 ( -24.462 6.435 -12.092) 28.036 15.962 ( 9.745 -1.180 -1.550) 9.938 16.124 ( 17.987 -9.722 -11.752) 23.583 16.759 ( 12.848 4.522 8.985) 16.317 16.893 ( -7.630 -4.104 8.530) 12.158 17.190 ( 33.157 -2.052 1.855) 33.272 17.829 ( -1.164 -2.188 -9.874) 10.181 20.037 ( -39.482 0.716 11.635) 41.167 20.546 ( -46.019 -0.134 4.779) 46.267 20.738 ( -29.853 -1.090 -6.873) 30.654 20.924 ( -37.246 0.094 -3.969) 37.457 21.688 ( -9.922 -1.180 10.071) 14.186 22.552 ( -1.770 -0.972 -10.919) 11.105 ======================= Grid point 249 (95/147) ======================= q-point: (-0.46 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -29.569 5.930 11.174) 32.161 2.811 ( -15.379 11.282 24.752) 31.248 3.277 ( -1.445 2.813 -25.046) 25.245 3.794 ( 1.974 7.178 -1.666) 7.629 4.024 ( -0.291 3.729 5.083) 6.311 4.074 ( -0.039 -6.649 0.192) 6.652 4.334 ( -7.867 -3.118 9.503) 12.724 4.430 ( 3.656 -7.929 -4.819) 9.973 4.657 ( -6.719 10.584 -6.202) 13.987 4.847 ( -10.135 -2.663 6.048) 12.099 4.890 ( -5.257 -1.342 1.007) 5.519 5.067 ( -7.938 -8.750 9.871) 15.395 5.383 ( -20.214 -0.868 -10.069) 22.599 5.766 ( -12.857 25.252 -5.221) 28.814 6.060 ( -8.838 1.435 -0.841) 8.993 6.656 ( -7.755 6.441 -8.428) 13.140 7.444 ( -8.686 4.324 -0.859) 9.740 7.514 ( -6.765 -1.575 1.683) 7.146 7.629 ( -3.908 -14.242 -6.645) 16.195 7.825 ( -12.791 -5.315 -4.204) 14.475 8.262 ( -6.023 2.399 18.479) 19.583 8.777 ( -2.313 -10.329 2.950) 10.989 9.241 ( 7.193 -2.997 -1.167) 7.879 9.482 ( 6.922 -5.243 -8.527) 12.170 10.189 ( -0.834 4.474 21.746) 22.217 10.875 ( 3.484 2.058 17.811) 18.265 12.180 ( 16.756 -3.805 -22.327) 28.173 12.496 ( 0.987 4.682 -17.673) 18.310 13.735 ( 2.679 9.764 8.484) 13.210 13.812 ( -11.097 -0.214 8.938) 14.251 13.923 ( 0.746 -0.447 7.145) 7.198 14.105 ( 20.631 -3.169 2.946) 21.080 14.481 ( -4.456 5.719 -5.279) 8.968 14.968 ( 8.176 9.211 -6.920) 14.128 15.068 ( 8.942 -4.063 1.358) 9.915 15.349 ( -12.287 -13.858 -9.623) 20.871 16.131 ( 0.813 -1.076 5.162) 5.335 16.358 ( -23.643 1.045 16.091) 28.619 16.647 ( 24.078 -1.387 -18.636) 30.479 17.230 ( 19.802 -0.231 8.813) 21.676 17.849 ( 11.898 -2.406 -15.478) 19.670 18.097 ( 48.227 -1.358 -5.106) 48.516 19.272 ( -40.053 0.377 17.774) 43.821 19.698 ( -39.336 -2.374 10.495) 40.781 20.078 ( -45.929 -0.493 -7.703) 46.573 20.347 ( -16.085 -1.192 -3.451) 16.494 21.576 ( -3.857 -1.790 9.767) 10.653 22.561 ( 1.188 -0.816 -13.645) 13.720 ======================= Grid point 250 (96/147) ======================= q-point: (-0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -0.000 9.016 21.598) 23.404 2.551 ( -0.000 16.751 26.069) 30.987 3.251 ( -0.000 4.378 -27.183) 27.534 3.766 ( -0.000 6.391 -6.446) 9.078 3.986 ( -0.000 3.821 5.105) 6.376 4.154 ( -0.000 2.684 18.092) 18.290 4.275 ( 0.000 -12.731 -7.881) 14.973 4.495 ( 0.000 -4.945 -6.187) 7.920 4.508 ( -0.000 14.551 -5.561) 15.577 4.796 ( 0.000 -12.270 6.678) 13.970 4.894 ( 0.000 -5.378 15.732) 16.626 4.997 ( 0.000 -6.545 -2.893) 7.156 5.236 ( 0.000 -6.591 -8.563) 10.806 5.325 ( -0.000 49.288 4.106) 49.458 6.013 ( 0.000 -6.438 -17.232) 18.395 6.556 ( -0.000 0.446 -9.135) 9.146 7.281 ( -0.000 4.855 5.229) 7.136 7.490 ( -0.000 1.179 0.028) 1.179 7.620 ( -0.000 4.641 -3.323) 5.708 7.763 ( 0.000 -9.057 -2.857) 9.497 8.254 ( 0.000 -13.487 17.390) 22.007 8.835 ( 0.000 -10.816 2.216) 11.041 9.337 ( 0.000 -4.022 -1.101) 4.170 9.598 ( 0.000 -7.098 -8.752) 11.268 10.163 ( -0.000 3.766 28.567) 28.814 10.886 ( -0.000 4.233 18.200) 18.685 12.338 ( -0.000 5.902 -20.502) 21.334 12.533 ( 0.000 -6.089 -21.574) 22.416 13.410 ( 0.000 -0.238 6.955) 6.959 13.872 ( -0.000 11.528 11.180) 16.058 14.068 ( -0.000 1.226 7.625) 7.723 14.225 ( 0.000 -0.135 -16.013) 16.014 14.416 ( -0.000 4.128 8.242) 9.218 14.908 ( -0.000 0.507 -8.370) 8.386 15.223 ( 0.000 -4.652 -1.148) 4.791 15.466 ( 0.000 -11.970 -0.276) 11.973 15.920 ( 0.000 -0.097 20.599) 20.599 16.269 ( 0.000 -1.820 3.378) 3.837 16.945 ( -0.000 1.665 -19.012) 19.085 17.317 ( 0.000 -0.068 -19.880) 19.880 18.392 ( 0.000 -0.338 6.426) 6.435 18.471 ( -0.000 0.004 12.896) 12.896 19.052 ( 0.000 -0.029 -4.589) 4.589 19.137 ( -0.000 0.694 -5.523) 5.566 19.386 ( 0.000 -8.231 16.231) 18.199 20.208 ( 0.000 -1.079 -3.868) 4.015 21.553 ( 0.000 -1.845 9.625) 9.801 22.581 ( 0.000 -0.677 -15.009) 15.024 ======================= Grid point 261 (97/147) ======================= q-point: (-0.54 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( -29.527 0.000 11.183) 31.574 2.896 ( -15.001 0.000 23.756) 28.096 3.298 ( -1.325 0.000 -24.911) 24.946 3.871 ( 6.647 -0.000 3.551) 7.536 3.992 ( -5.505 0.000 -8.085) 9.782 4.070 ( -1.334 0.000 3.508) 3.753 4.313 ( -7.427 0.000 14.063) 15.903 4.344 ( 5.463 -0.000 -3.048) 6.256 4.747 ( -7.886 0.000 2.047) 8.148 4.815 ( -9.931 0.000 -0.774) 9.961 4.913 ( -4.857 0.000 -11.802) 12.762 4.991 ( -7.469 0.000 14.598) 16.398 5.374 ( -20.845 0.000 -10.684) 23.423 5.819 ( -10.812 0.000 -4.442) 11.689 6.225 ( -10.241 0.000 6.491) 12.125 6.749 ( -6.058 0.000 -6.153) 8.635 7.378 ( -4.087 0.000 -5.646) 6.970 7.482 ( -11.475 0.000 -0.297) 11.479 7.535 ( -4.374 0.000 -3.353) 5.512 7.806 ( -12.714 0.000 -3.170) 13.104 8.312 ( -7.660 0.000 14.149) 16.090 8.683 ( -2.042 0.000 4.895) 5.304 9.219 ( 7.402 -0.000 -1.353) 7.525 9.443 ( 7.049 -0.000 -8.857) 11.320 10.225 ( -1.447 0.000 19.334) 19.388 10.888 ( 3.827 -0.000 19.353) 19.727 12.147 ( 17.023 -0.000 -21.681) 27.566 12.535 ( 0.074 -0.000 -17.616) 17.616 13.796 ( 20.009 -0.000 12.478) 23.581 13.807 ( -36.330 0.000 4.948) 36.665 13.947 ( 6.018 -0.000 5.278) 8.005 14.071 ( 23.060 -0.000 1.719) 23.124 14.524 ( -3.627 0.000 -0.659) 3.687 15.036 ( 14.641 -0.000 -2.821) 14.910 15.098 ( 17.031 -0.000 -4.918) 17.727 15.184 ( -29.431 0.000 -10.522) 31.255 16.123 ( 1.096 -0.000 5.564) 5.671 16.368 ( -25.597 0.000 16.136) 30.258 16.637 ( 25.897 -0.000 -18.642) 31.909 17.228 ( 22.054 -0.000 9.858) 24.157 17.830 ( 8.372 -0.000 -16.441) 18.450 18.087 ( 52.589 -0.000 -5.926) 52.921 19.276 ( -40.567 0.000 18.486) 44.580 19.680 ( -40.177 0.000 11.144) 41.694 20.075 ( -46.358 0.000 -7.906) 47.027 20.339 ( -15.619 0.000 -3.365) 15.977 21.561 ( -3.814 0.000 9.893) 10.603 22.555 ( 1.425 -0.000 -13.512) 13.587 ======================= Grid point 263 (98/147) ======================= q-point: (-0.46 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -0.000 3.247 20.443) 20.699 2.723 ( -0.000 6.284 23.820) 24.635 3.295 ( -0.000 1.565 -26.782) 26.828 3.880 ( -0.000 9.762 -7.453) 12.282 4.042 ( -0.000 2.867 3.815) 4.772 4.060 ( 0.000 -14.041 -5.918) 15.237 4.193 ( -0.000 2.378 20.455) 20.593 4.412 ( 0.000 -5.188 -5.871) 7.835 4.691 ( 0.000 -2.504 4.858) 5.465 4.696 ( -0.000 6.257 1.211) 6.373 4.866 ( -0.000 2.340 3.143) 3.918 4.897 ( 0.000 -4.963 -1.501) 5.185 5.189 ( 0.000 -1.058 -9.620) 9.678 5.713 ( 0.000 -1.811 -9.061) 9.240 6.053 ( -0.000 17.098 8.430) 19.063 6.648 ( -0.000 9.798 -6.895) 11.981 7.328 ( -0.000 1.643 5.152) 5.407 7.441 ( 0.000 -19.837 -6.180) 20.778 7.529 ( 0.000 -2.000 -8.635) 8.864 7.665 ( -0.000 1.573 -3.326) 3.679 8.225 ( -0.000 3.402 17.545) 17.872 8.692 ( 0.000 -6.991 4.602) 8.370 9.297 ( 0.000 -1.374 -1.596) 2.105 9.527 ( 0.000 -2.553 -9.396) 9.737 10.210 ( -0.000 2.039 23.917) 24.004 10.923 ( -0.000 1.098 20.579) 20.609 12.340 ( 0.000 -2.014 -23.445) 23.532 12.529 ( -0.000 1.976 -17.354) 17.466 13.407 ( 0.000 -0.086 6.967) 6.967 13.986 ( -0.000 4.073 7.409) 8.455 14.079 ( -0.000 0.241 4.126) 4.133 14.223 ( 0.000 -0.049 -16.030) 16.031 14.484 ( -0.000 3.739 14.284) 14.765 14.912 ( -0.000 0.317 -3.305) 3.320 15.142 ( 0.000 -5.008 -9.276) 10.542 15.360 ( 0.000 -2.871 0.462) 2.908 15.919 ( 0.000 -0.035 20.610) 20.610 16.253 ( 0.000 -0.478 4.502) 4.528 16.962 ( -0.000 0.606 -20.207) 20.216 17.316 ( 0.000 -0.025 -19.875) 19.875 18.388 ( 0.000 -0.250 4.554) 4.561 18.471 ( -0.000 0.001 12.885) 12.885 19.052 ( 0.000 -0.010 -4.587) 4.587 19.160 ( -0.000 2.099 -7.383) 7.675 19.286 ( 0.000 -4.856 21.935) 22.466 20.200 ( 0.000 -0.219 -3.695) 3.701 21.529 ( 0.000 -1.033 9.943) 9.996 22.574 ( 0.000 -0.281 -14.558) 14.560 ======================= Grid point 350 (99/147) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 0.000 0.000 38.724) 38.724 1.623 ( 0.000 0.000 40.046) 40.046 2.203 ( 0.000 0.000 -35.216) 35.216 2.336 ( 0.000 0.000 -35.269) 35.269 2.869 ( 0.000 0.000 68.185) 68.185 4.119 ( 0.000 0.000 -61.261) 61.261 4.186 ( 0.000 0.000 9.313) 9.313 4.221 ( 0.000 0.000 4.910) 4.910 4.755 ( 0.000 0.000 -3.890) 3.890 4.780 ( 0.000 0.000 -6.592) 6.592 5.018 ( 0.000 0.000 26.845) 26.845 5.257 ( 0.000 0.000 1.893) 1.893 5.943 ( 0.000 0.000 -7.628) 7.628 5.985 ( 0.000 0.000 4.420) 4.420 6.032 ( 0.000 0.000 -18.489) 18.489 6.077 ( 0.000 0.000 -5.239) 5.239 6.822 ( 0.000 0.000 8.078) 8.078 6.957 ( 0.000 0.000 -6.019) 6.019 7.799 ( 0.000 0.000 23.783) 23.783 8.167 ( 0.000 0.000 -15.230) 15.230 8.999 ( 0.000 0.000 9.012) 9.012 9.124 ( 0.000 0.000 -4.373) 4.373 9.781 ( 0.000 0.000 9.223) 9.223 9.972 ( 0.000 0.000 -9.902) 9.902 10.697 ( 0.000 0.000 11.574) 11.574 10.977 ( 0.000 0.000 -17.803) 17.803 12.659 ( 0.000 0.000 18.788) 18.788 12.980 ( 0.000 0.000 -15.502) 15.502 13.618 ( 0.000 0.000 13.021) 13.021 13.908 ( 0.000 0.000 -17.220) 17.220 14.102 ( 0.000 0.000 7.824) 7.824 14.214 ( 0.000 0.000 -4.172) 4.172 14.722 ( 0.000 0.000 11.193) 11.193 14.972 ( 0.000 0.000 -14.575) 14.575 15.225 ( 0.000 0.000 5.540) 5.540 15.340 ( 0.000 0.000 -6.193) 6.193 16.384 ( 0.000 0.000 26.247) 26.247 16.612 ( 0.000 0.000 15.525) 15.525 16.881 ( 0.000 0.000 -25.628) 25.628 16.896 ( 0.000 0.000 -13.947) 13.947 18.686 ( 0.000 0.000 1.579) 1.579 18.705 ( 0.000 0.000 -0.320) 0.320 18.721 ( 0.000 0.000 12.509) 12.509 18.926 ( 0.000 0.000 -8.960) 8.960 20.788 ( 0.000 0.000 1.091) 1.091 20.809 ( 0.000 0.000 -1.017) 1.017 20.940 ( 0.000 0.000 0.734) 0.734 20.956 ( 0.000 0.000 -0.931) 0.931 ======================= Grid point 351 (100/147) ======================= q-point: ( 0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 5.330 -18.051 33.338) 38.284 1.700 ( 10.488 -3.642 30.850) 32.787 2.314 ( 5.703 -9.424 -33.483) 35.249 2.370 ( 4.406 -1.535 -31.120) 31.468 3.206 ( 29.856 -4.994 62.480) 69.427 4.163 ( 5.215 0.060 -7.473) 9.113 4.252 ( 3.247 0.141 5.730) 6.588 4.432 ( 19.940 -1.757 -37.802) 42.775 4.801 ( 6.174 2.880 1.259) 6.928 4.855 ( 7.672 -1.439 -5.611) 9.613 5.073 ( 7.578 4.906 17.786) 19.945 5.256 ( 0.156 -0.158 2.099) 2.111 5.835 ( -2.018 5.992 -3.352) 7.156 5.987 ( 1.292 4.189 -15.019) 15.646 6.220 ( 17.739 1.768 -1.721) 17.910 6.266 ( 16.952 3.856 -6.620) 18.603 6.899 ( 6.326 -5.560 9.052) 12.364 7.052 ( 7.845 -5.365 -6.992) 11.800 7.940 ( 13.665 -1.694 20.689) 24.853 8.251 ( 9.297 1.571 -11.957) 15.227 8.976 ( -2.025 -0.303 6.852) 7.151 9.069 ( -4.426 1.885 -3.053) 5.698 9.714 ( -5.996 1.843 10.325) 12.081 9.931 ( -3.410 2.050 -11.795) 12.448 10.695 ( -0.586 -1.791 12.329) 12.473 10.968 ( -1.896 -1.833 -16.318) 16.530 12.006 ( -63.175 16.164 40.845) 76.946 12.424 ( -32.360 -2.492 -2.533) 32.554 13.229 ( -18.043 5.820 -1.984) 19.062 13.392 ( -26.400 -11.491 -15.993) 32.936 14.052 ( -11.968 0.735 7.530) 14.159 14.166 ( -11.901 -0.377 -4.881) 12.869 14.640 ( -3.404 4.551 10.887) 12.281 14.889 ( -5.458 4.240 -14.844) 16.374 15.347 ( 1.565 -3.137 12.811) 13.282 15.582 ( 3.825 -3.440 -12.234) 13.271 16.383 ( -1.514 1.919 8.993) 9.319 16.452 ( -8.542 0.159 2.563) 8.920 17.105 ( 19.725 5.706 -3.128) 20.771 17.150 ( 17.820 0.510 -6.729) 19.055 18.083 ( -23.871 -1.467 6.770) 24.856 18.200 ( -24.881 2.339 -4.936) 25.474 19.599 ( 44.991 -1.165 1.551) 45.033 19.620 ( 42.907 0.631 -0.576) 42.916 20.869 ( 17.059 23.715 -0.240) 29.214 20.879 ( 19.650 27.034 -1.191) 33.442 21.224 ( 16.033 -24.120 8.819) 30.275 21.496 ( 32.776 -28.943 -22.420) 49.139 ======================= Grid point 352 (101/147) ======================= q-point: ( 0.15 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 13.530 -25.690 25.178) 38.432 2.107 ( 25.595 -8.450 17.660) 32.224 2.530 ( 10.405 -8.865 -26.261) 29.606 2.593 ( 15.264 -8.785 -25.372) 30.885 3.898 ( 33.718 -7.392 45.170) 56.850 4.290 ( 8.074 0.377 7.804) 11.235 4.341 ( 5.778 -1.052 5.315) 7.921 4.736 ( 9.253 0.771 -18.682) 20.862 4.940 ( 9.585 3.537 8.279) 13.150 5.130 ( 10.740 3.542 10.847) 15.670 5.230 ( 18.408 -0.343 -22.806) 29.311 5.312 ( 6.948 -2.262 -0.803) 7.351 5.809 ( 4.489 5.528 -3.653) 8.004 6.028 ( 7.304 5.648 -18.845) 20.986 6.596 ( 25.632 12.815 -0.676) 28.664 6.626 ( 24.325 9.318 -4.974) 26.519 7.164 ( 15.374 -12.031 10.087) 21.973 7.335 ( 15.661 -11.269 -8.061) 20.910 8.310 ( 22.758 -1.090 14.291) 26.895 8.485 ( 16.516 4.549 -3.664) 17.518 8.954 ( -0.885 -0.092 0.366) 0.962 8.961 ( -3.612 1.296 -0.183) 3.841 9.559 ( -6.904 3.083 12.963) 15.007 9.828 ( -3.909 4.781 -14.654) 15.902 10.699 ( -3.401 -1.825 17.772) 18.186 10.861 ( -9.229 8.137 10.756) 16.343 11.136 ( -18.375 -8.822 15.109) 25.372 11.721 ( -35.175 -1.264 -26.293) 43.934 12.903 ( -14.595 -1.380 7.956) 16.680 13.097 ( -19.447 -11.152 -10.782) 24.876 13.751 ( -16.360 -0.203 7.187) 17.870 13.882 ( -15.376 -1.379 -7.414) 17.126 14.525 ( -8.888 -3.561 7.735) 12.308 14.723 ( -10.273 -0.341 -12.664) 16.311 15.270 ( -8.283 3.456 13.624) 16.314 15.479 ( -10.966 3.942 -8.546) 14.450 16.269 ( -8.924 1.961 1.623) 9.280 16.282 ( -10.289 0.149 0.778) 10.319 17.382 ( 12.576 8.842 2.123) 15.519 17.427 ( 12.231 6.260 -1.825) 13.860 17.770 ( -10.504 -3.977 0.411) 11.239 17.799 ( -14.417 4.117 -2.061) 15.134 20.391 ( 38.350 2.993 2.813) 38.569 20.418 ( 40.470 -0.990 0.046) 40.482 21.099 ( 20.114 10.398 -1.187) 22.673 21.109 ( 17.721 10.887 -2.195) 20.914 21.800 ( 28.428 -9.567 18.180) 35.074 22.226 ( 27.172 -8.206 -26.919) 39.118 ======================= Grid point 353 (102/147) ======================= q-point: ( 0.23 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 18.089 -21.107 19.364) 33.877 2.705 ( 27.509 -10.803 14.126) 32.757 2.852 ( 16.451 -8.610 -23.087) 29.627 3.033 ( 21.735 -11.384 -20.330) 31.864 4.381 ( 11.447 -0.709 10.625) 15.634 4.476 ( 7.349 -0.642 4.082) 8.431 4.585 ( 19.760 -10.725 21.742) 31.276 4.860 ( 6.080 2.629 -3.000) 7.272 5.079 ( 5.846 1.999 12.870) 14.276 5.167 ( 3.063 2.551 9.919) 10.690 5.466 ( 8.210 -1.393 7.581) 11.261 5.654 ( 15.013 2.164 -21.869) 26.614 6.008 ( 19.350 -3.280 -11.640) 22.818 6.218 ( 16.484 3.534 -21.627) 27.421 6.954 ( 24.101 21.624 0.051) 32.380 6.995 ( 22.921 15.476 -5.106) 28.124 7.656 ( 24.878 -13.764 8.521) 29.681 7.797 ( 21.960 -13.675 -6.513) 26.677 8.675 ( 7.650 6.189 4.168) 10.686 8.694 ( 5.383 9.792 1.168) 11.235 8.950 ( 13.485 -1.736 7.670) 15.610 9.078 ( 12.297 -5.491 -4.678) 14.257 9.480 ( 3.304 4.016 14.084) 15.014 9.757 ( 1.990 7.369 -14.052) 15.992 10.461 ( -12.104 -0.203 33.277) 35.410 10.805 ( -1.415 4.641 0.468) 4.875 11.104 ( 1.195 -12.161 -5.022) 13.211 11.262 ( -14.674 -11.228 -22.110) 28.814 12.628 ( -15.941 -2.760 10.542) 19.310 12.813 ( -16.356 -8.683 -7.685) 20.050 13.491 ( -11.103 -1.572 7.074) 13.258 13.653 ( -10.052 -2.511 -10.850) 15.002 14.338 ( -14.148 -5.028 5.890) 16.129 14.506 ( -13.496 -1.748 -11.007) 17.503 15.016 ( -13.635 6.952 11.230) 18.983 15.181 ( -15.080 6.295 -6.445) 17.566 16.026 ( -15.029 0.779 1.714) 15.146 16.044 ( -15.014 -0.912 -0.012) 15.042 17.413 ( -0.022 7.485 5.014) 9.009 17.497 ( -0.597 9.231 -3.515) 9.895 17.649 ( 3.304 2.710 3.557) 5.560 17.738 ( 1.732 -2.304 -5.617) 6.313 20.975 ( 24.921 6.511 6.605) 26.591 21.096 ( 26.479 2.472 -5.730) 27.204 21.423 ( 23.367 0.785 3.647) 23.663 21.510 ( 26.888 -1.131 -5.393) 27.446 22.369 ( 26.314 -0.601 15.147) 30.368 22.678 ( 18.278 -0.518 -16.984) 24.956 ======================= Grid point 354 (103/147) ======================= q-point: ( 0.31 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( 17.471 -12.791 15.085) 26.390 3.184 ( 17.846 -3.222 -3.703) 18.509 3.324 ( 22.270 -13.433 -3.735) 26.275 3.524 ( 20.422 -9.182 -15.391) 27.171 4.580 ( 8.426 -3.770 4.505) 10.271 4.617 ( 6.799 -0.020 2.060) 7.104 4.900 ( 5.290 0.201 5.465) 7.609 4.917 ( 2.250 -1.255 4.325) 5.034 5.135 ( 2.652 -3.456 13.954) 14.618 5.310 ( 8.820 -5.399 -1.255) 10.417 5.643 ( 9.179 -4.104 15.804) 18.731 5.847 ( 10.684 3.711 -3.685) 11.895 6.443 ( 17.531 -9.808 -13.112) 23.988 6.565 ( 19.481 1.712 -19.423) 27.563 7.188 ( 18.712 26.438 1.309) 32.416 7.276 ( 19.432 18.143 -9.011) 28.071 8.207 ( 18.174 -6.294 6.184) 20.203 8.282 ( 18.971 -10.051 -0.336) 21.472 8.581 ( -5.117 8.179 -0.256) 9.651 8.662 ( 3.385 0.758 -6.173) 7.081 9.344 ( 16.786 -0.879 11.634) 20.443 9.425 ( 20.248 -1.053 4.338) 20.734 9.657 ( 17.122 3.151 3.913) 17.844 9.794 ( 7.234 8.458 -8.397) 13.942 10.343 ( -2.044 -4.851 24.374) 24.936 10.670 ( -6.343 -1.454 -5.896) 8.781 11.270 ( 3.117 -8.450 -7.613) 11.794 11.319 ( 10.521 -9.947 -9.725) 17.442 12.380 ( -11.153 -4.425 14.219) 18.605 12.622 ( -9.222 -6.069 -9.275) 14.419 13.353 ( -4.605 -1.545 7.157) 8.649 13.522 ( -5.078 -0.342 -11.028) 12.146 14.048 ( -18.945 -1.169 4.890) 19.601 14.209 ( -19.418 -0.399 -10.894) 22.269 14.690 ( -14.020 5.846 11.348) 18.961 14.870 ( -12.408 3.759 -7.717) 15.088 15.703 ( -18.083 -0.350 2.314) 18.234 15.728 ( -18.934 -2.224 -0.271) 19.066 17.367 ( -0.070 3.703 3.469) 5.074 17.416 ( -0.336 6.510 -1.505) 6.690 17.731 ( 5.827 3.544 1.948) 7.093 17.791 ( 2.620 0.334 -4.085) 4.865 21.280 ( 12.998 4.614 4.979) 14.664 21.371 ( 9.276 3.284 -4.406) 10.781 21.983 ( 29.321 -3.137 3.890) 29.744 22.069 ( 27.444 -3.720 -5.110) 28.162 22.793 ( 18.589 2.198 8.789) 20.679 22.961 ( 11.921 1.228 -8.523) 14.706 ======================= Grid point 355 (104/147) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.264 ( 12.683 -6.098 12.651) 18.924 3.493 ( 12.509 -1.165 -6.740) 14.256 3.780 ( 16.077 -9.528 -0.583) 18.697 3.905 ( 13.683 -4.808 -10.555) 17.937 4.703 ( 1.779 0.378 2.122) 2.795 4.733 ( 4.254 -1.751 -0.743) 4.660 4.882 ( 0.208 2.682 8.820) 9.221 4.958 ( -0.920 -0.589 -0.205) 1.112 5.277 ( 6.648 -7.923 11.260) 15.290 5.474 ( 4.353 -2.460 -8.240) 9.638 5.877 ( 9.105 -7.669 18.120) 21.680 6.060 ( 10.627 -8.120 0.321) 13.378 6.764 ( 8.540 -8.021 -7.663) 13.999 6.849 ( 11.306 3.508 -13.884) 18.245 7.291 ( 12.520 26.366 4.801) 29.579 7.469 ( 13.324 15.515 -14.618) 25.138 8.266 ( -2.924 2.663 4.860) 6.266 8.392 ( -5.823 6.380 -6.763) 10.970 8.764 ( 18.258 -8.592 6.987) 21.354 8.933 ( 15.455 -7.321 -9.161) 19.400 9.549 ( 7.556 3.680 14.940) 17.142 9.759 ( 9.626 0.553 -4.839) 10.788 9.917 ( 14.857 6.363 5.629) 17.115 10.021 ( 20.109 1.949 -2.405) 20.346 10.424 ( 4.200 -6.693 18.228) 19.867 10.653 ( 0.709 -5.359 -3.661) 6.529 11.385 ( 3.171 -1.448 0.853) 3.589 11.553 ( 5.749 -6.513 -14.434) 16.847 12.333 ( 2.719 -8.249 12.318) 15.073 12.564 ( 0.016 -4.462 -9.622) 10.606 13.308 ( -2.263 4.537 6.943) 8.597 13.447 ( -1.334 6.359 -5.915) 8.787 13.647 ( -21.879 0.452 2.529) 22.029 13.797 ( -20.113 -1.271 -10.694) 22.815 14.443 ( -9.265 1.044 12.383) 15.500 14.668 ( -7.729 0.085 -10.838) 13.312 15.365 ( -17.047 -0.964 2.176) 17.213 15.386 ( -17.131 -1.912 -0.007) 17.238 17.354 ( 0.508 1.549 2.444) 2.938 17.389 ( 1.100 3.892 -1.080) 4.187 17.805 ( 4.035 2.393 0.666) 4.739 17.831 ( 2.049 0.905 -2.017) 3.014 21.440 ( 6.773 2.124 2.403) 7.494 21.479 ( 4.436 1.632 -1.582) 4.984 22.499 ( 21.625 -3.179 2.296) 21.977 22.556 ( 20.194 -3.270 -3.637) 20.778 23.039 ( 8.904 2.409 4.339) 10.194 23.116 ( 5.190 1.306 -3.596) 6.448 ======================= Grid point 356 (105/147) ======================= q-point: ( 0.46 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.461 ( 4.685 -1.723 11.607) 12.635 3.663 ( 4.526 -0.216 -6.415) 7.854 4.057 ( 7.179 -4.209 -3.040) 8.860 4.102 ( 4.374 -0.986 -6.231) 7.676 4.678 ( -1.727 1.404 5.305) 5.753 4.773 ( 0.175 -0.068 -4.498) 4.502 4.901 ( 1.517 -0.299 5.563) 5.774 4.939 ( -0.701 0.351 2.632) 2.746 5.434 ( 3.449 -5.355 4.431) 7.759 5.521 ( 0.743 1.523 -3.232) 3.650 6.047 ( 3.966 -2.963 21.024) 21.599 6.314 ( 5.393 -10.495 -6.049) 13.260 6.883 ( 1.896 -0.098 -4.211) 4.619 6.958 ( 3.018 1.775 -12.186) 12.679 7.302 ( 4.343 12.737 9.265) 16.338 7.553 ( 3.993 6.012 -16.443) 17.957 8.215 ( -0.880 -0.049 -0.030) 0.882 8.268 ( -2.900 3.001 -4.144) 5.882 9.074 ( 7.916 -3.883 5.078) 10.175 9.204 ( 6.981 -3.565 -7.519) 10.862 9.613 ( 2.041 2.213 13.681) 14.008 9.825 ( 1.266 1.699 -9.038) 9.283 10.167 ( 10.556 3.292 11.748) 16.133 10.333 ( 11.612 2.549 -5.129) 12.948 10.535 ( 1.686 -6.489 17.558) 18.795 10.686 ( -1.999 -3.133 1.743) 4.105 11.403 ( 0.397 1.850 2.901) 3.464 11.620 ( -1.053 -2.940 -18.876) 19.132 12.564 ( 11.403 -8.921 7.544) 16.326 12.720 ( 12.709 -5.316 -7.067) 15.483 13.056 ( -13.186 11.374 4.340) 17.946 13.132 ( -21.312 6.954 -3.576) 22.701 13.512 ( 2.732 -0.649 3.689) 4.636 13.623 ( -2.705 -2.361 -7.654) 8.454 14.311 ( -4.268 -0.742 12.026) 12.782 14.559 ( -3.773 -0.692 -12.771) 13.335 15.122 ( -7.406 -0.474 2.602) 7.864 15.155 ( -6.936 -0.492 -0.744) 6.993 17.356 ( 0.291 0.395 2.100) 2.157 17.389 ( 0.591 1.247 -1.149) 1.796 17.847 ( 1.486 0.767 -0.078) 1.674 17.853 ( 0.773 0.478 -0.788) 1.203 21.515 ( 2.167 0.633 0.983) 2.462 21.526 ( 1.340 0.402 -0.180) 1.410 22.830 ( 10.046 -2.253 0.834) 10.329 22.861 ( 8.923 -1.408 -2.483) 9.368 23.109 ( 0.798 1.373 2.385) 2.865 23.143 ( -0.752 1.133 -1.193) 1.809 ======================= Grid point 364 (106/147) ======================= q-point: ( 0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 16.482 -0.000 30.441) 34.617 2.044 ( 25.406 -0.000 14.432) 29.219 2.443 ( 12.080 -0.000 -28.252) 30.726 2.550 ( 15.240 -0.000 -23.512) 28.020 3.844 ( 34.769 -0.000 47.079) 58.526 4.302 ( 8.376 -0.000 3.254) 8.985 4.326 ( 4.529 -0.000 10.164) 11.127 4.735 ( 9.864 -0.000 -26.033) 27.839 4.971 ( 10.105 -0.000 9.899) 14.146 5.155 ( 17.490 -0.000 -2.405) 17.654 5.260 ( 6.759 -0.000 -12.462) 14.177 5.267 ( 9.881 -0.000 9.620) 13.790 5.855 ( 2.411 -0.000 -6.638) 7.062 6.066 ( 6.448 -0.000 -22.842) 23.734 6.689 ( 29.481 -0.000 1.531) 29.521 6.732 ( 28.638 -0.000 -3.127) 28.809 7.056 ( 12.602 -0.000 10.280) 16.264 7.235 ( 13.272 -0.000 -8.533) 15.778 8.300 ( 23.608 -0.000 15.184) 28.069 8.518 ( 17.667 -0.000 -7.747) 19.291 8.939 ( -1.439 0.000 4.021) 4.271 8.984 ( -4.539 0.000 -1.294) 4.720 9.581 ( -7.153 0.000 13.777) 15.523 9.863 ( -3.714 0.000 -15.147) 15.596 10.686 ( -0.858 0.000 16.311) 16.333 10.936 ( -0.656 0.000 -13.268) 13.284 11.062 ( -32.852 0.000 41.041) 52.570 11.708 ( -38.175 0.000 -21.690) 43.907 12.919 ( -14.865 0.000 -0.632) 14.879 12.989 ( -17.340 0.000 -6.277) 18.441 13.751 ( -16.538 0.000 6.083) 17.621 13.871 ( -15.772 0.000 -7.279) 17.371 14.494 ( -10.523 0.000 9.392) 14.104 14.718 ( -11.614 0.000 -13.770) 18.014 15.299 ( -6.516 0.000 14.098) 15.530 15.511 ( -9.593 0.000 -8.413) 12.759 16.282 ( -10.449 0.000 1.721) 10.590 16.284 ( -9.737 0.000 1.293) 9.822 17.452 ( 12.848 -0.000 0.320) 12.852 17.483 ( 14.852 -0.000 -2.939) 15.140 17.727 ( -13.507 0.000 5.520) 14.592 17.830 ( -15.130 0.000 -5.017) 15.940 20.409 ( 41.005 -0.000 1.118) 41.021 20.415 ( 39.306 -0.000 0.596) 39.311 21.193 ( 10.620 -0.000 0.433) 10.628 21.206 ( 12.205 -0.000 -0.909) 12.239 21.712 ( 36.438 -0.000 17.180) 40.285 22.150 ( 34.151 -0.000 -29.131) 44.888 ======================= Grid point 365 (107/147) ======================= q-point: ( 0.15 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 24.241 -10.320 25.220) 36.472 2.592 ( 28.617 -4.506 5.761) 29.537 2.764 ( 19.272 -3.184 -22.568) 29.848 2.930 ( 22.337 -3.193 -17.585) 28.607 4.380 ( 12.681 0.192 12.925) 18.108 4.463 ( 10.774 -0.996 14.631) 18.197 4.478 ( 14.636 -3.516 15.298) 21.462 4.864 ( 4.654 -0.644 -12.872) 13.702 5.138 ( 4.951 4.213 15.034) 16.379 5.181 ( 0.747 -0.708 13.446) 13.486 5.449 ( 8.621 -0.705 8.068) 11.829 5.677 ( 20.431 0.801 -30.643) 36.838 5.980 ( 12.383 -0.715 -5.188) 13.445 6.259 ( 15.077 1.651 -24.116) 28.489 7.211 ( 26.416 15.305 2.101) 30.602 7.252 ( 28.359 16.593 -2.221) 32.931 7.447 ( 25.040 -14.508 7.222) 29.827 7.587 ( 19.954 -14.029 -7.240) 25.445 8.737 ( 13.197 2.141 7.898) 15.528 8.808 ( 3.443 5.280 -1.154) 6.408 8.937 ( 8.491 0.218 2.303) 8.801 8.994 ( 13.343 -5.177 -2.561) 14.540 9.518 ( 3.097 1.294 16.792) 17.124 9.829 ( 1.863 2.496 -14.946) 15.267 10.466 ( -15.265 0.523 35.638) 38.773 10.889 ( 3.598 5.796 1.475) 6.979 10.971 ( 2.053 -5.393 -3.526) 6.762 11.113 ( -20.957 -7.932 -23.397) 32.396 12.625 ( -16.228 1.918 3.820) 16.782 12.703 ( -13.278 -5.829 -3.488) 14.914 13.482 ( -11.184 -0.114 5.577) 12.497 13.628 ( -9.574 -0.887 -11.067) 14.661 14.274 ( -13.441 -2.746 8.600) 16.191 14.480 ( -13.646 -1.148 -12.523) 18.557 15.098 ( -12.881 3.373 11.200) 17.399 15.254 ( -15.343 2.921 -5.603) 16.593 16.033 ( -15.799 0.244 1.043) 15.835 16.036 ( -15.494 -0.286 0.936) 15.525 17.493 ( -5.337 3.222 4.999) 7.991 17.589 ( -5.429 3.166 -4.684) 7.838 17.675 ( 5.999 0.636 0.894) 6.099 17.708 ( 5.625 -1.240 -2.692) 6.358 21.057 ( 26.210 3.651 3.957) 26.758 21.122 ( 30.188 0.914 -2.808) 30.332 21.431 ( 17.380 0.131 3.055) 17.647 21.498 ( 21.448 -0.220 -3.841) 21.790 22.358 ( 29.241 -0.578 13.928) 32.394 22.664 ( 20.195 -0.855 -17.800) 26.933 ======================= Grid point 366 (108/147) ======================= q-point: ( 0.23 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 24.807 -9.069 20.201) 33.253 3.149 ( 23.815 -4.857 12.219) 27.204 3.178 ( 22.025 -3.083 -25.222) 33.627 3.403 ( 22.177 -6.944 -15.562) 27.968 4.533 ( 6.949 -2.395 8.109) 10.944 4.618 ( 7.275 0.283 2.148) 7.591 4.805 ( 8.946 -6.494 9.660) 14.681 4.933 ( 1.356 -1.173 -5.257) 5.554 5.107 ( -0.723 0.143 16.768) 16.784 5.270 ( 4.979 -0.793 5.001) 7.101 5.605 ( 7.089 -1.446 12.836) 14.735 5.919 ( 9.627 5.005 -16.612) 19.841 6.322 ( 17.294 -6.589 -3.048) 18.756 6.597 ( 19.600 2.037 -22.538) 29.938 7.529 ( 20.101 16.756 -1.299) 26.201 7.551 ( 19.343 21.964 -2.491) 29.373 8.072 ( 26.576 -11.054 4.453) 29.125 8.122 ( 21.633 -12.231 -0.642) 24.860 8.675 ( -8.360 4.094 -2.463) 9.629 8.683 ( -4.963 1.954 -2.944) 6.092 9.325 ( 19.542 -1.217 9.275) 21.665 9.398 ( 21.405 -2.153 1.546) 21.568 9.698 ( 15.925 2.185 9.994) 18.928 9.878 ( 4.242 3.308 -5.823) 7.928 10.299 ( -1.828 -1.391 21.696) 21.817 10.657 ( -11.266 -0.435 -9.265) 14.592 11.146 ( 7.315 -6.890 -5.534) 11.472 11.209 ( 13.594 -5.730 -7.708) 16.645 12.343 ( -11.833 -0.911 11.641) 16.624 12.540 ( -7.658 -4.551 -6.771) 11.189 13.341 ( -3.523 -0.320 6.317) 7.240 13.516 ( -2.900 -0.390 -13.203) 13.523 14.012 ( -16.620 -2.775 7.687) 18.520 14.195 ( -17.968 -1.095 -10.630) 20.906 14.782 ( -15.747 5.680 9.374) 19.186 14.929 ( -14.879 3.518 -6.384) 16.569 15.700 ( -18.548 -0.182 1.345) 18.598 15.708 ( -18.652 -0.735 0.672) 18.678 17.402 ( -2.456 1.325 4.655) 5.427 17.482 ( -2.787 2.710 -3.510) 5.237 17.777 ( 5.145 2.408 0.154) 5.683 17.798 ( 3.534 0.547 -2.117) 4.156 21.354 ( 11.325 4.859 4.113) 12.991 21.427 ( 8.894 3.738 -3.393) 10.227 21.939 ( 29.006 -2.642 3.433) 29.328 22.011 ( 27.032 -3.741 -4.060) 27.590 22.816 ( 18.917 0.951 7.432) 20.347 22.967 ( 11.733 -0.135 -8.121) 14.270 ======================= Grid point 367 (109/147) ======================= q-point: ( 0.31 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( 19.127 -1.955 15.902) 24.951 3.509 ( 15.657 3.063 -6.487) 17.222 3.644 ( 18.858 -8.435 -1.982) 20.754 3.828 ( 16.333 -5.926 -13.753) 22.159 4.679 ( 4.843 -3.169 4.861) 7.558 4.723 ( 3.521 0.362 0.126) 3.542 4.891 ( -2.275 -2.443 4.559) 5.650 4.938 ( 0.242 -1.009 0.909) 1.379 5.166 ( 4.026 -6.290 13.002) 14.994 5.403 ( 5.611 -6.143 -7.554) 11.238 5.752 ( 5.820 -6.398 17.477) 19.500 6.037 ( 6.122 1.703 -7.968) 10.191 6.648 ( 10.693 -6.814 1.332) 12.750 6.898 ( 12.733 2.914 -18.456) 22.611 7.681 ( 12.424 25.394 -0.364) 28.273 7.727 ( 12.726 18.340 -6.491) 23.247 8.295 ( -3.476 1.354 7.649) 8.510 8.471 ( -8.238 4.439 -7.565) 12.034 8.626 ( 19.748 -9.972 6.181) 22.970 8.809 ( 14.011 -9.537 -10.185) 19.773 9.579 ( 7.288 0.818 14.335) 16.102 9.754 ( 11.223 -0.720 -2.740) 11.574 9.978 ( 11.525 1.185 6.732) 13.400 10.044 ( 20.205 1.564 0.848) 20.283 10.364 ( 4.743 -1.415 12.625) 13.561 10.578 ( -0.386 -4.628 -5.677) 7.334 11.343 ( 7.699 -3.781 -1.470) 8.702 11.476 ( 8.112 -4.139 -12.400) 15.385 12.234 ( -0.173 -4.942 15.464) 16.235 12.496 ( 0.203 -4.389 -9.419) 10.394 13.336 ( 1.074 0.464 7.149) 7.244 13.512 ( 2.770 2.573 -10.403) 11.069 13.664 ( -20.461 1.024 4.620) 21.001 13.804 ( -20.798 1.572 -8.121) 22.383 14.470 ( -12.597 2.621 10.714) 16.744 14.675 ( -9.839 0.732 -10.520) 14.422 15.353 ( -16.789 -0.525 2.056) 16.922 15.375 ( -15.535 -0.060 0.032) 15.535 17.369 ( -0.586 0.540 3.795) 3.878 17.433 ( -0.834 2.206 -2.747) 3.620 17.836 ( 2.656 1.738 -0.250) 3.184 17.844 ( 2.003 0.886 -1.096) 2.450 21.483 ( 5.820 3.342 2.402) 7.128 21.521 ( 4.529 3.739 -1.554) 6.075 22.452 ( 21.736 -3.096 2.107) 22.056 22.501 ( 20.507 -3.981 -2.951) 21.097 23.067 ( 8.422 1.416 3.028) 9.061 23.124 ( 4.707 -0.049 -2.816) 5.485 ======================= Grid point 368 (110/147) ======================= q-point: ( 0.38 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.477 ( 9.821 3.793 12.611) 16.428 3.699 ( 7.038 4.913 -6.058) 10.505 3.984 ( 10.732 -5.769 -1.641) 12.294 4.082 ( 6.953 -1.894 -9.212) 11.695 4.690 ( -3.031 0.324 4.293) 5.265 4.768 ( 0.392 -0.530 -3.856) 3.912 4.884 ( 0.487 -2.381 7.638) 8.015 4.941 ( -0.258 0.159 0.698) 0.761 5.314 ( 3.968 -9.884 9.841) 14.502 5.515 ( 1.863 -2.845 -9.973) 10.537 5.927 ( 4.096 -13.118 16.780) 21.689 6.153 ( 4.560 -6.536 -3.476) 8.695 6.815 ( 2.244 -6.071 2.005) 6.776 7.026 ( 3.691 4.881 -15.496) 16.660 7.628 ( 1.457 27.351 2.460) 27.500 7.730 ( 1.353 16.748 -8.765) 18.951 8.207 ( -3.193 -0.896 2.806) 4.345 8.305 ( -5.747 1.804 -5.831) 8.383 8.988 ( 10.351 -7.523 4.297) 13.498 9.117 ( 8.769 -8.400 -8.037) 14.562 9.634 ( -0.224 0.682 13.579) 13.598 9.831 ( -0.746 -0.483 -7.393) 7.446 10.229 ( 8.742 4.683 9.874) 13.994 10.363 ( 10.488 1.202 -1.903) 10.727 10.443 ( 3.401 -5.566 16.372) 17.623 10.643 ( 4.033 -2.777 -1.676) 5.175 11.431 ( 0.025 1.910 -0.346) 1.941 11.572 ( 1.919 -3.521 -14.879) 15.410 12.413 ( 10.797 -10.492 10.746) 18.497 12.626 ( 8.800 -6.962 -9.504) 14.705 13.157 ( -18.892 1.851 5.749) 19.834 13.232 ( -19.611 7.066 -1.700) 20.915 13.570 ( 6.154 7.140 -0.355) 9.432 13.619 ( 2.094 1.761 -6.172) 6.752 14.291 ( -5.082 -1.722 12.000) 13.145 14.543 ( -3.843 -1.330 -13.273) 13.882 15.123 ( -6.055 0.649 2.699) 6.661 15.159 ( -5.676 0.870 -0.867) 5.807 17.361 ( -0.257 0.167 2.759) 2.776 17.406 ( -1.010 1.116 -1.865) 2.397 17.855 ( 0.200 0.375 -0.234) 0.486 17.860 ( 0.037 0.362 -0.679) 0.770 21.535 ( 1.766 2.153 1.548) 3.186 21.557 ( 1.994 3.374 -0.753) 3.991 22.792 ( 10.947 -2.871 1.311) 11.393 22.829 ( 10.431 -2.926 -2.589) 11.139 23.126 ( -0.704 0.980 1.709) 2.092 23.151 ( -1.592 -0.022 -0.839) 1.800 ======================= Grid point 369 (111/147) ======================= q-point: (-0.54 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.528 ( -0.006 7.391 10.468) 12.815 3.706 ( -2.155 5.556 -5.335) 7.998 4.103 ( -1.875 1.425 -5.267) 5.770 4.113 ( -2.901 0.908 -4.155) 5.148 4.649 ( -0.797 -2.436 6.538) 7.022 4.767 ( -0.348 -0.863 -5.415) 5.494 4.900 ( -1.564 -0.577 5.088) 5.354 4.931 ( -0.038 -0.490 3.091) 3.130 5.417 ( -0.509 -7.267 4.986) 8.828 5.515 ( -2.311 0.468 -4.296) 4.901 6.030 ( -1.927 -6.108 19.294) 20.330 6.284 ( 0.354 -11.742 -5.694) 13.054 6.845 ( -3.308 -6.496 -1.579) 7.459 6.972 ( -4.865 6.034 -12.059) 14.335 7.367 ( -9.453 18.447 7.252) 21.960 7.578 ( -6.817 9.020 -14.576) 18.447 8.199 ( 0.433 -2.501 -1.036) 2.742 8.234 ( -1.361 -1.024 -3.573) 3.958 9.088 ( -4.327 -2.152 4.638) 6.698 9.212 ( -4.013 -3.050 -7.297) 8.869 9.577 ( -5.703 -2.348 13.313) 14.672 9.782 ( -5.073 -3.564 -8.633) 10.628 10.142 ( -12.383 -0.318 10.748) 16.400 10.294 ( -12.979 -2.684 -4.528) 14.006 10.617 ( 4.842 4.512 16.956) 18.202 10.735 ( 4.678 3.729 3.019) 6.701 11.381 ( -2.264 -1.107 5.362) 5.925 11.656 ( 5.104 1.996 -21.968) 22.642 12.613 ( -4.487 -3.685 5.999) 8.349 12.761 ( -12.760 -1.549 -8.222) 15.259 12.895 ( 6.253 -8.247 8.151) 13.174 13.051 ( 10.950 -1.706 -5.061) 12.183 13.582 ( 2.435 7.675 3.633) 8.834 13.683 ( 6.439 5.570 -7.307) 11.220 14.308 ( 4.541 -1.119 12.168) 13.036 14.561 ( 4.323 -0.422 -13.074) 13.776 15.138 ( 8.526 1.771 2.948) 9.193 15.174 ( 8.617 2.098 -0.874) 8.912 17.350 ( -1.154 -0.529 1.572) 2.020 17.372 ( -2.660 -1.042 -0.660) 2.932 17.833 ( -2.774 -1.060 0.291) 2.984 17.846 ( -1.361 -0.518 -1.103) 1.827 21.520 ( -2.035 1.451 1.717) 3.032 21.546 ( -0.922 2.791 -0.941) 3.086 22.851 ( -7.877 0.438 0.159) 7.891 22.871 ( -7.725 0.068 -1.869) 7.948 23.087 ( -2.765 -1.596 2.286) 3.926 23.118 ( -0.850 -2.138 -0.961) 2.493 ======================= Grid point 370 (112/147) ======================= q-point: (-0.46 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.384 ( -7.816 10.427 9.388) 16.061 3.546 ( -9.808 6.102 -4.780) 12.502 3.908 ( -12.541 7.847 -2.082) 14.939 3.971 ( -10.837 4.430 -7.376) 13.838 4.675 ( -0.730 -3.730 4.181) 5.650 4.749 ( -2.783 0.226 -2.251) 3.586 4.843 ( -4.163 -2.142 8.203) 9.445 4.946 ( 0.304 -1.790 -0.892) 2.023 5.357 ( -7.599 1.854 6.568) 10.214 5.467 ( -3.300 -2.767 -2.921) 5.204 5.934 ( -8.711 1.946 21.758) 23.518 6.230 ( -9.826 7.307 -8.154) 14.712 6.780 ( -7.525 -1.594 -4.068) 8.701 6.827 ( -8.483 -7.628 -7.158) 13.468 7.049 ( -16.189 1.457 6.067) 17.350 7.335 ( -15.838 -1.195 -20.914) 26.261 8.223 ( 0.884 -2.822 1.505) 3.319 8.291 ( 3.056 -7.319 -4.355) 9.048 8.865 ( -16.582 4.900 6.307) 18.406 9.014 ( -15.217 3.363 -7.972) 17.505 9.471 ( -9.046 -6.780 14.501) 18.387 9.705 ( -7.676 -7.823 -10.201) 14.973 9.844 ( -18.949 -2.008 10.595) 21.803 9.988 ( -19.831 -2.517 -4.325) 20.453 10.542 ( -3.960 9.047 17.789) 20.346 10.727 ( -1.513 4.693 -0.860) 5.005 11.386 ( 0.249 -0.889 7.314) 7.372 11.659 ( -1.905 7.924 -18.844) 20.531 12.450 ( -4.242 6.678 6.574) 10.286 12.606 ( -0.448 0.694 -8.329) 8.370 13.192 ( 10.374 -10.470 8.181) 16.858 13.334 ( 8.276 -8.631 -4.884) 12.917 13.689 ( 16.609 6.581 3.112) 18.135 13.843 ( 16.495 4.783 -12.025) 20.966 14.433 ( 7.733 -0.675 13.011) 15.151 14.674 ( 7.344 0.714 -11.672) 13.808 15.387 ( 17.423 2.297 3.725) 17.964 15.430 ( 18.951 3.934 -0.936) 19.378 17.320 ( -4.001 -4.039 0.791) 5.740 17.326 ( -3.234 -3.685 0.224) 4.908 17.770 ( -4.953 -2.288 2.037) 5.824 17.818 ( -1.973 -0.835 -2.872) 3.583 21.428 ( -7.003 0.579 3.015) 7.646 21.480 ( -4.369 1.704 -2.245) 5.199 22.540 ( -21.574 2.426 1.851) 21.788 22.591 ( -20.040 1.529 -3.514) 20.403 22.998 ( -9.696 -3.236 5.069) 11.409 23.084 ( -6.061 -3.091 -3.874) 7.829 ======================= Grid point 371 (113/147) ======================= q-point: (-0.38 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( -13.117 13.423 9.593) 21.078 3.260 ( -14.595 7.281 -3.238) 16.629 3.530 ( -18.353 14.193 -1.463) 23.247 3.658 ( -16.296 9.133 -11.324) 21.845 4.612 ( -7.363 -0.369 2.371) 7.744 4.637 ( -7.438 3.236 0.483) 8.126 4.803 ( -4.854 -8.393 10.568) 14.341 4.942 ( -3.631 -2.006 -3.695) 5.555 5.182 ( -6.591 2.441 15.984) 17.461 5.388 ( -6.481 2.359 -5.423) 8.774 5.719 ( -10.793 4.799 18.383) 21.850 5.877 ( -15.387 10.766 1.093) 18.811 6.561 ( -17.434 1.410 -11.112) 20.722 6.600 ( -17.225 11.306 -15.617) 25.854 6.802 ( -17.402 -25.442 5.196) 31.259 7.032 ( -19.706 -13.918 -19.094) 30.767 8.237 ( -6.877 -1.787 6.632) 9.719 8.383 ( -7.969 -1.693 -8.970) 12.117 8.480 ( -9.494 -0.113 10.508) 14.163 8.671 ( -14.121 1.771 -8.530) 16.592 9.325 ( -11.022 -4.423 14.660) 18.867 9.433 ( -22.051 0.610 7.537) 23.311 9.614 ( -18.530 -2.802 -4.033) 19.169 9.637 ( -9.544 -12.463 -8.350) 17.780 10.435 ( 0.516 7.369 22.697) 23.869 10.698 ( 2.481 2.304 -3.040) 4.551 11.360 ( -1.174 4.359 -2.017) 4.944 11.499 ( -4.357 13.858 -14.978) 20.866 12.465 ( 10.717 6.645 12.566) 17.802 12.695 ( 10.223 3.170 -10.118) 14.729 13.383 ( 8.244 1.875 7.584) 11.358 13.523 ( 9.359 -0.291 -7.146) 11.779 14.036 ( 18.968 -1.912 3.618) 19.404 14.204 ( 19.218 -0.685 -12.541) 22.958 14.636 ( 13.172 -1.669 12.510) 18.242 14.844 ( 11.454 0.593 -9.316) 14.776 15.715 ( 17.546 1.557 4.350) 18.144 15.774 ( 18.883 4.175 -1.855) 19.428 17.279 ( -4.788 -9.089 1.681) 10.409 17.303 ( -3.315 -8.209 -0.553) 8.870 17.684 ( -5.842 -2.766 4.864) 8.089 17.787 ( -1.659 -0.261 -5.629) 5.874 21.234 ( -14.058 -1.450 5.914) 15.320 21.345 ( -9.703 -0.180 -5.440) 11.125 22.025 ( -29.853 2.596 3.691) 30.192 22.111 ( -28.262 1.987 -5.382) 28.839 22.751 ( -18.491 -3.581 9.662) 21.168 22.927 ( -12.638 -3.545 -8.525) 15.651 ======================= Grid point 372 (114/147) ======================= q-point: (-0.31 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( -18.154 13.945 11.959) 25.827 2.897 ( -15.841 13.148 5.535) 21.317 3.031 ( -19.944 17.954 -9.102) 28.337 3.245 ( -16.081 16.572 -17.435) 28.935 4.406 ( -11.869 2.699 7.367) 14.228 4.480 ( -7.649 0.029 1.094) 7.727 4.713 ( -13.103 -1.611 11.626) 17.591 4.792 ( -10.632 -0.869 9.182) 14.075 5.113 ( -1.623 -0.502 14.092) 14.194 5.130 ( -14.173 5.998 4.833) 16.131 5.486 ( -9.116 1.600 7.891) 12.162 5.627 ( -9.819 -1.277 -7.608) 12.487 6.078 ( -26.984 6.559 -18.985) 33.639 6.180 ( -19.876 -0.888 -17.830) 26.716 6.629 ( -20.171 -22.219 3.075) 30.167 6.783 ( -18.306 -13.796 -13.934) 26.825 7.836 ( -23.375 10.721 9.017) 27.251 7.974 ( -21.556 10.422 -5.778) 24.631 8.533 ( -4.977 -11.865 3.119) 13.240 8.565 ( -5.830 -8.673 0.345) 10.456 8.980 ( -17.483 2.129 11.498) 21.033 9.138 ( -11.517 2.552 -3.990) 12.453 9.400 ( -4.059 -7.078 9.291) 12.365 9.620 ( -1.865 -11.298 -12.197) 16.730 10.477 ( 7.466 1.911 29.210) 30.209 10.764 ( 2.807 -1.035 0.220) 3.000 11.291 ( 1.286 12.198 -6.085) 13.693 11.431 ( 10.277 12.600 -20.720) 26.338 12.705 ( 17.944 7.401 13.878) 23.862 12.936 ( 19.038 7.475 -9.366) 22.495 13.538 ( 11.498 5.159 8.262) 15.069 13.702 ( 11.146 4.233 -9.445) 15.210 14.378 ( 14.573 -0.985 3.523) 15.025 14.511 ( 12.114 -1.605 -8.836) 15.080 14.939 ( 15.527 -2.352 10.090) 18.666 15.110 ( 15.432 -2.068 -7.568) 17.312 16.011 ( 13.247 -1.153 3.248) 13.688 16.064 ( 13.622 1.811 -2.080) 13.898 17.275 ( -3.782 -11.602 3.305) 12.642 17.330 ( -2.907 -13.508 -2.172) 13.987 17.606 ( -3.114 -2.942 7.808) 8.906 17.763 ( -0.318 0.897 -8.297) 8.351 20.892 ( -24.869 -4.451 8.917) 26.792 21.063 ( -23.306 -1.640 -8.679) 24.924 21.418 ( -29.770 0.220 4.477) 30.106 21.522 ( -31.218 0.387 -6.413) 31.873 22.366 ( -22.894 -1.136 15.729) 27.800 22.667 ( -16.493 -2.254 -15.560) 22.786 ======================= Grid point 373 (115/147) ======================= q-point: (-0.23 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( -22.260 10.520 18.362) 30.713 2.440 ( -12.051 33.789 18.325) 40.283 2.623 ( -13.369 6.311 -23.038) 27.374 2.852 ( -9.276 22.864 -23.438) 34.031 4.047 ( -27.100 11.868 35.047) 45.865 4.319 ( -12.368 5.562 11.473) 17.764 4.346 ( -6.590 -0.199 3.577) 7.501 4.673 ( -8.075 -8.120 3.695) 12.033 4.899 ( -9.353 -1.934 -2.180) 9.796 5.072 ( -7.380 -4.107 13.388) 15.829 5.264 ( -20.412 3.793 -24.403) 32.040 5.342 ( -11.232 3.197 -13.735) 18.029 5.716 ( -8.291 -6.912 1.547) 10.905 5.904 ( -12.118 -10.513 -11.463) 19.717 6.362 ( -22.001 -17.454 2.335) 28.180 6.517 ( -16.951 -6.540 -15.211) 23.696 7.351 ( -16.952 12.901 9.478) 23.316 7.509 ( -17.249 11.729 -7.179) 22.060 8.317 ( -20.057 -0.905 10.653) 22.729 8.389 ( -14.690 -8.250 3.359) 17.179 8.893 ( 2.823 -5.242 3.683) 7.001 8.990 ( -1.942 1.950 -5.524) 6.172 9.493 ( 6.445 -6.009 10.765) 13.912 9.726 ( 4.361 -9.094 -13.113) 16.543 10.702 ( 14.689 -4.837 29.435) 33.251 10.778 ( 0.115 0.975 9.810) 9.859 11.298 ( 10.398 12.966 0.470) 16.627 11.734 ( 26.339 0.595 -31.368) 40.964 12.982 ( 16.659 9.279 16.439) 25.177 13.277 ( 22.345 12.785 -13.281) 28.968 13.768 ( 15.720 2.586 8.881) 18.240 13.911 ( 14.243 2.730 -7.173) 16.179 14.564 ( 4.125 0.649 4.714) 6.298 14.706 ( 6.377 -3.449 -9.250) 11.752 15.225 ( 12.495 -1.704 11.755) 17.239 15.421 ( 14.104 -3.085 -8.807) 16.911 16.225 ( 6.989 -4.089 2.427) 8.454 16.276 ( 9.278 -0.852 -1.971) 9.524 17.236 ( -11.885 -10.424 4.523) 16.443 17.308 ( -8.714 -9.823 -2.141) 13.304 17.719 ( 12.532 -6.646 3.679) 14.655 17.807 ( 7.833 0.706 -5.783) 9.762 20.335 ( -36.372 -4.313 7.547) 37.397 20.438 ( -38.863 1.693 -2.624) 38.989 20.937 ( -27.545 -10.002 -1.401) 29.339 20.971 ( -27.948 -7.691 -5.012) 29.417 21.930 ( -19.546 7.311 18.775) 28.072 22.330 ( -18.159 5.047 -23.191) 29.884 ======================= Grid point 374 (116/147) ======================= q-point: (-0.15 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -11.942 8.285 30.959) 34.201 2.024 ( -4.855 35.536 23.857) 43.076 2.414 ( -4.453 4.422 -29.925) 30.576 2.564 ( -3.886 23.429 -28.685) 37.241 3.362 ( -27.144 17.121 57.450) 65.806 4.163 ( -4.177 0.209 1.541) 4.457 4.247 ( -3.990 -0.528 0.592) 4.068 4.475 ( -17.994 3.423 -32.406) 37.224 4.748 ( -6.229 -3.833 3.178) 7.974 4.855 ( -6.682 -2.283 1.550) 7.230 4.994 ( -10.258 -3.642 1.147) 10.946 5.224 ( -3.206 -4.764 -8.722) 10.443 5.719 ( 1.012 -8.669 5.970) 10.574 5.846 ( -4.929 -14.254 -1.897) 15.201 6.091 ( -16.736 -13.311 -0.256) 21.386 6.266 ( -10.251 1.621 -19.804) 22.358 7.030 ( -7.621 11.096 8.645) 15.998 7.176 ( -8.790 10.556 -6.728) 15.296 7.980 ( -12.587 3.277 17.956) 22.171 8.201 ( -9.009 -5.465 -4.671) 11.526 8.980 ( 1.732 -0.511 1.921) 2.637 9.018 ( 3.826 -4.424 -1.691) 6.089 9.662 ( 5.761 -5.067 9.352) 12.097 9.871 ( 3.836 -6.331 -11.926) 14.037 10.748 ( 0.942 5.547 14.082) 15.165 10.997 ( 6.786 0.534 -7.297) 9.979 11.726 ( 38.827 -16.749 38.448) 57.152 12.373 ( 33.011 -10.070 -25.224) 42.748 13.230 ( 17.749 6.133 15.378) 24.271 13.570 ( 20.451 12.341 -18.361) 30.127 14.041 ( 9.668 -0.198 10.238) 14.083 14.178 ( 11.852 1.348 -4.634) 12.797 14.534 ( -9.201 -8.993 10.932) 16.883 14.785 ( -2.837 -9.179 -14.570) 17.452 15.412 ( 7.171 4.802 12.659) 15.321 15.647 ( 7.868 3.774 -11.622) 14.533 16.334 ( 1.862 -4.370 8.554) 9.785 16.445 ( 8.169 -0.937 -0.355) 8.230 16.983 ( -19.830 -10.135 1.423) 22.315 17.122 ( -15.184 -2.747 -10.061) 18.421 18.109 ( 24.605 1.267 2.552) 24.769 18.140 ( 26.058 -5.408 -0.255) 26.614 19.595 ( -43.124 -1.927 3.211) 43.286 19.639 ( -42.691 3.427 -1.013) 42.841 20.494 ( -28.176 -21.514 2.787) 35.560 20.588 ( -20.255 -16.004 -6.805) 26.696 21.542 ( -10.638 18.744 14.221) 25.821 21.894 ( -16.271 22.534 -24.183) 36.842 ======================= Grid point 375 (117/147) ======================= q-point: (-0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -0.000 4.452 39.173) 39.425 1.738 ( -0.000 30.097 31.984) 43.918 2.355 ( -0.000 19.631 -31.742) 37.322 2.358 ( -0.000 2.983 -34.883) 35.011 2.957 ( -0.000 12.748 65.549) 66.777 4.157 ( -0.000 5.182 -57.676) 57.908 4.169 ( 0.000 -1.968 9.217) 9.425 4.228 ( -0.000 0.596 4.114) 4.157 4.723 ( 0.000 -2.796 -1.220) 3.051 4.807 ( -0.000 2.269 -8.390) 8.692 4.935 ( 0.000 -9.775 23.427) 25.385 5.237 ( 0.000 -4.068 -4.788) 6.283 5.829 ( 0.000 -8.981 4.034) 9.845 5.889 ( 0.000 -12.105 4.975) 13.088 5.990 ( 0.000 -11.190 -5.625) 12.525 6.129 ( -0.000 7.001 -22.888) 23.935 6.890 ( -0.000 8.403 7.943) 11.563 7.024 ( -0.000 8.307 -6.053) 10.278 7.828 ( -0.000 3.707 22.089) 22.398 8.145 ( 0.000 -3.227 -11.000) 11.463 9.001 ( -0.000 0.071 6.146) 6.146 9.095 ( 0.000 -3.893 -3.639) 5.329 9.753 ( 0.000 -3.724 8.846) 9.598 9.945 ( 0.000 -3.859 -10.527) 11.212 10.724 ( -0.000 3.877 13.453) 14.001 11.017 ( -0.000 5.093 -16.949) 17.698 12.448 ( 0.000 -27.838 27.424) 39.077 12.882 ( 0.000 -12.841 -19.540) 23.381 13.617 ( 0.000 -0.145 13.031) 13.032 13.907 ( 0.000 -0.119 -17.230) 17.231 13.987 ( 0.000 -12.827 18.745) 22.713 14.206 ( 0.000 -0.482 -5.297) 5.319 14.497 ( 0.000 -13.826 15.051) 20.437 14.807 ( 0.000 -14.698 -16.918) 22.411 15.398 ( -0.000 14.146 8.060) 16.281 15.599 ( -0.000 21.088 -13.092) 24.822 16.384 ( 0.000 -0.055 26.252) 26.252 16.571 ( 0.000 -5.300 14.113) 15.075 16.842 ( 0.000 -7.083 -13.786) 15.499 16.881 ( 0.000 -0.047 -25.629) 25.629 18.670 ( 0.000 -1.164 5.109) 5.240 18.721 ( 0.000 -0.008 12.506) 12.506 18.756 ( -0.000 5.427 -4.574) 7.097 18.926 ( 0.000 -0.016 -8.958) 8.958 20.349 ( 0.000 -28.177 9.876) 29.858 20.511 ( 0.000 -20.035 -7.659) 21.449 21.275 ( -0.000 24.901 8.137) 26.196 21.483 ( -0.000 37.936 -15.250) 40.886 ======================= Grid point 378 (118/147) ======================= q-point: ( 0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( 28.573 -0.000 22.295) 36.242 3.097 ( 25.334 -0.000 3.963) 25.642 3.176 ( 23.582 -0.000 -21.393) 31.840 3.346 ( 21.583 -0.000 -13.222) 25.311 4.515 ( 6.066 -0.000 9.324) 11.124 4.622 ( 7.532 -0.000 1.509) 7.682 4.753 ( 9.852 -0.000 12.091) 15.596 4.917 ( 1.339 -0.000 -8.672) 8.774 5.114 ( -2.484 0.000 17.795) 17.967 5.266 ( 3.662 -0.000 6.611) 7.557 5.595 ( 6.727 -0.000 11.721) 13.514 5.962 ( 9.016 -0.000 -26.434) 27.929 6.269 ( 17.472 -0.000 5.965) 18.462 6.613 ( 19.458 -0.000 -23.300) 30.356 7.683 ( 17.910 -0.000 2.687) 18.110 7.776 ( 15.526 -0.000 -6.110) 16.685 7.952 ( 28.762 -0.000 2.748) 28.893 7.976 ( 29.870 -0.000 0.926) 29.884 8.694 ( -8.606 0.000 -1.177) 8.687 8.710 ( -8.716 0.000 -3.585) 9.425 9.316 ( 20.285 -0.000 8.314) 21.923 9.380 ( 22.234 -0.000 1.082) 22.260 9.714 ( 15.690 -0.000 11.628) 19.529 9.900 ( 2.548 -0.000 -3.750) 4.534 10.291 ( -1.265 0.000 19.302) 19.343 10.654 ( -13.905 0.000 -10.977) 17.716 11.094 ( 8.994 -0.000 -3.863) 9.789 11.164 ( 15.227 -0.000 -6.655) 16.618 12.339 ( -12.417 0.000 9.565) 15.674 12.505 ( -6.643 0.000 -5.163) 8.414 13.339 ( -3.342 0.000 5.825) 6.716 13.513 ( -2.262 0.000 -13.797) 13.981 13.989 ( -15.552 0.000 8.999) 17.968 14.186 ( -17.305 0.000 -10.808) 20.403 14.827 ( -16.385 0.000 8.441) 18.432 14.956 ( -16.011 0.000 -5.634) 16.973 15.699 ( -18.995 0.000 1.171) 19.032 15.702 ( -18.183 0.000 0.854) 18.203 17.411 ( -3.220 0.000 4.808) 5.787 17.500 ( -3.445 0.000 -4.310) 5.518 17.795 ( 4.794 -0.000 -0.351) 4.807 17.802 ( 3.770 -0.000 -1.264) 3.976 21.395 ( 10.121 -0.000 3.681) 10.770 21.458 ( 8.780 -0.000 -2.853) 9.232 21.917 ( 29.056 -0.000 3.029) 29.214 21.980 ( 27.063 -0.000 -3.448) 27.282 22.823 ( 19.098 -0.000 6.768) 20.261 22.965 ( 11.777 -0.000 -7.856) 14.157 ======================= Grid point 379 (119/147) ======================= q-point: ( 0.23 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.197 ( 25.017 0.128 18.457) 31.089 3.523 ( 17.889 -2.705 10.582) 20.960 3.601 ( 20.567 3.902 -22.865) 31.001 3.737 ( 17.073 -5.842 -13.274) 22.401 4.638 ( 5.889 -1.822 8.479) 10.483 4.732 ( 3.223 0.611 0.377) 3.302 4.847 ( -0.244 -2.139 2.692) 3.447 4.920 ( -0.486 -1.372 -4.168) 4.415 5.108 ( 1.614 -1.728 15.623) 15.801 5.336 ( 3.498 -2.387 -1.249) 4.415 5.700 ( 3.790 -1.401 14.287) 14.848 6.063 ( 3.266 1.183 -20.083) 20.382 6.579 ( 12.296 -2.547 11.890) 17.293 6.928 ( 12.905 1.088 -19.972) 23.804 7.947 ( 12.988 10.109 -2.381) 16.630 7.978 ( 11.718 12.656 -4.055) 17.718 8.309 ( 0.198 0.780 10.803) 10.833 8.471 ( 6.177 -6.629 10.066) 13.543 8.550 ( 5.862 3.656 -13.194) 14.894 8.667 ( 9.517 -9.065 -10.183) 16.626 9.583 ( 7.378 -0.003 13.687) 15.549 9.744 ( 12.146 -0.476 -2.752) 12.463 9.969 ( 9.611 -1.017 11.689) 15.167 10.065 ( 20.298 0.938 0.654) 20.331 10.364 ( 5.335 0.540 7.005) 8.822 10.528 ( -1.395 -1.941 -6.132) 6.581 11.298 ( 10.386 -1.877 -0.873) 10.590 11.432 ( 9.792 -1.688 -11.942) 15.535 12.190 ( -2.588 -1.325 15.919) 16.182 12.450 ( 0.493 -1.694 -8.557) 8.737 13.338 ( 0.929 0.022 6.972) 7.034 13.530 ( 2.945 0.292 -13.543) 13.863 13.674 ( -16.683 0.370 7.511) 18.299 13.822 ( -18.496 0.687 -7.039) 19.802 14.505 ( -15.620 1.570 8.831) 18.012 14.684 ( -11.721 0.358 -9.933) 15.368 15.350 ( -16.179 -0.014 2.322) 16.344 15.376 ( -14.948 0.085 -0.177) 14.949 17.373 ( -0.956 0.094 4.405) 4.508 17.454 ( -1.533 0.662 -3.812) 4.162 17.851 ( 1.576 0.397 -0.367) 1.666 17.857 ( 1.958 0.616 -0.787) 2.198 21.523 ( 4.864 1.690 2.763) 5.843 21.568 ( 4.362 2.075 -1.927) 5.201 22.417 ( 21.924 -1.391 1.632) 22.029 22.454 ( 20.933 -1.968 -2.152) 21.135 23.081 ( 8.237 0.467 2.001) 8.489 23.120 ( 4.558 -0.234 -2.084) 5.017 ======================= Grid point 380 (120/147) ======================= q-point: ( 0.31 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.558 ( 14.691 6.677 13.609) 21.110 3.785 ( 9.189 4.860 0.652) 10.416 3.905 ( 12.572 -3.278 -6.689) 14.613 4.041 ( 9.429 -4.169 -12.646) 16.315 4.694 ( -3.177 0.597 4.404) 5.464 4.758 ( 1.260 -1.187 -1.034) 2.016 4.833 ( -0.762 -3.725 5.894) 7.014 4.943 ( 1.088 -0.102 -1.869) 2.164 5.186 ( 2.816 -6.595 12.248) 14.193 5.437 ( 2.907 -6.743 -9.647) 12.124 5.772 ( 1.370 -6.249 17.057) 18.217 6.104 ( 1.537 -1.559 -14.296) 14.463 6.747 ( 3.196 -3.181 12.564) 13.349 7.077 ( 4.084 2.218 -17.875) 18.470 7.986 ( -0.417 17.019 -1.132) 17.061 8.009 ( 2.812 22.672 -3.267) 23.078 8.193 ( -4.926 -0.796 4.919) 7.007 8.312 ( -8.460 -1.138 -4.824) 9.805 8.874 ( 11.047 -7.036 1.063) 13.140 8.967 ( 8.673 -11.486 -7.270) 16.125 9.637 ( -0.897 -0.092 13.220) 13.251 9.822 ( -1.066 -0.576 -6.860) 6.966 10.287 ( 11.126 2.761 10.919) 15.832 10.347 ( 10.011 -2.553 12.346) 16.098 10.403 ( -1.848 -0.336 2.214) 2.904 10.610 ( 10.813 -1.621 -5.614) 12.291 11.457 ( 1.776 1.761 -3.925) 4.654 11.523 ( 3.148 -3.085 -10.679) 11.553 12.285 ( 8.343 -6.516 13.634) 17.261 12.539 ( 5.537 -4.519 -10.731) 12.893 13.161 ( -19.439 -0.334 8.247) 21.118 13.307 ( -16.121 3.176 -3.957) 16.901 13.655 ( 7.050 3.061 -3.582) 8.479 13.674 ( 4.657 5.357 -2.850) 7.649 14.267 ( -7.248 -1.387 11.948) 14.043 14.524 ( -4.448 -1.125 -13.902) 14.640 15.136 ( -4.912 0.895 2.794) 5.722 15.173 ( -4.882 0.884 -0.927) 5.048 17.362 ( -0.477 0.022 3.309) 3.343 17.419 ( -1.902 0.660 -2.543) 3.243 17.859 ( -0.498 0.194 -0.310) 0.618 17.863 ( -0.890 0.107 -0.616) 1.088 21.569 ( 1.586 2.195 2.380) 3.606 21.608 ( 1.940 3.152 -1.636) 4.046 22.753 ( 11.458 -2.121 1.244) 11.719 22.786 ( 11.470 -2.625 -2.082) 11.950 23.137 ( -1.576 0.517 0.752) 1.821 23.146 ( -1.853 -0.399 -0.196) 1.906 ======================= Grid point 381 (121/147) ======================= q-point: ( 0.38 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.665 ( 3.613 10.848 9.334) 14.760 3.813 ( -0.465 8.543 -2.973) 9.058 4.091 ( 3.171 -2.311 -3.653) 5.362 4.131 ( -1.235 0.584 -7.098) 7.228 4.615 ( -3.842 -1.899 7.172) 8.355 4.752 ( -1.165 -1.088 -6.741) 6.927 4.873 ( -0.060 -3.248 7.538) 8.209 4.935 ( -1.332 1.062 0.914) 1.934 5.282 ( 0.171 -9.712 9.524) 13.604 5.496 ( -1.666 -3.604 -11.564) 12.226 5.860 ( -0.086 -13.879 17.505) 22.340 6.150 ( 0.362 -5.530 -9.038) 10.602 6.759 ( -4.376 -4.242 9.708) 11.463 7.055 ( -4.088 4.120 -16.456) 17.450 7.693 ( -13.408 21.661 2.496) 25.597 7.777 ( -9.057 17.182 -6.926) 20.620 8.166 ( 0.002 -0.777 1.242) 1.465 8.233 ( -1.969 0.625 -5.235) 5.628 9.013 ( -2.525 -7.662 2.437) 8.428 9.106 ( -3.236 -11.258 -6.339) 13.319 9.554 ( -8.035 -0.781 12.714) 15.060 9.745 ( -7.460 -1.263 -7.896) 10.936 10.145 ( -13.695 0.294 8.185) 15.957 10.259 ( -13.617 -2.087 -2.619) 14.023 10.662 ( 11.893 1.843 17.215) 21.004 10.792 ( 5.167 3.716 2.024) 6.679 11.373 ( -4.385 -0.020 6.902) 8.178 11.679 ( 9.504 1.269 -23.894) 25.746 12.495 ( 2.638 -9.913 6.794) 12.305 12.654 ( -2.113 -9.412 -9.461) 13.511 12.850 ( -6.532 -0.551 12.995) 14.555 13.086 ( -0.307 4.496 -8.857) 9.937 13.698 ( 4.800 7.287 2.805) 9.166 13.774 ( 7.988 6.500 -6.089) 11.965 14.280 ( 4.932 -2.593 12.662) 13.834 14.547 ( 4.879 -1.318 -13.996) 14.881 15.170 ( 9.701 2.381 3.120) 10.465 15.208 ( 10.040 2.237 -0.913) 10.327 17.342 ( -2.062 -0.447 1.290) 2.473 17.359 ( -4.630 -0.625 -0.454) 4.694 17.818 ( -3.759 -0.945 0.715) 3.941 17.839 ( -1.779 -0.462 -1.496) 2.370 21.551 ( -1.838 2.503 2.675) 4.099 21.596 ( -0.716 3.721 -1.954) 4.263 22.843 ( -5.026 -1.193 0.463) 5.186 22.867 ( -6.589 -0.563 -2.111) 6.942 23.065 ( -4.717 -1.262 1.790) 5.201 23.087 ( -3.049 -1.981 -0.364) 3.654 ======================= Grid point 382 (122/147) ======================= q-point: (-0.54 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.559 ( -5.150 13.102 6.419) 15.472 3.662 ( -7.985 9.482 -2.701) 12.687 3.999 ( -9.649 4.555 -2.559) 10.973 4.039 ( -7.225 4.898 -6.547) 10.911 4.598 ( -1.846 -6.316 7.696) 10.126 4.737 ( -2.197 -1.955 -4.980) 5.783 4.823 ( -6.241 -0.717 8.207) 10.336 4.916 ( -1.313 -2.190 -0.617) 2.627 5.306 ( -5.167 -7.933 6.712) 11.605 5.430 ( -6.170 -2.017 -5.865) 8.748 5.913 ( -4.265 -7.152 18.206) 20.020 6.179 ( -3.259 -8.074 -5.939) 10.539 6.666 ( -9.466 -8.677 2.274) 13.041 6.858 ( -11.988 7.079 -11.865) 18.292 7.235 ( -17.856 19.285 5.200) 26.791 7.434 ( -16.274 12.901 -16.123) 26.291 8.192 ( -1.074 -4.736 -0.653) 4.900 8.200 ( 0.614 -0.646 -2.712) 2.854 8.885 ( -14.458 -2.886 4.240) 15.341 9.001 ( -14.442 -6.564 -6.837) 17.274 9.375 ( -11.773 -5.323 13.627) 18.779 9.584 ( -11.198 -6.423 -7.922) 15.146 9.838 ( -18.038 0.189 7.002) 19.350 9.950 ( -19.631 -2.595 -3.648) 20.135 10.671 ( -3.566 8.304 14.138) 16.779 10.786 ( -2.112 3.364 1.758) 4.343 11.370 ( 2.289 -1.157 14.917) 15.136 11.776 ( 2.783 7.931 -23.916) 25.350 12.492 ( -2.364 -1.649 1.247) 3.140 12.583 ( -2.103 -3.287 -7.473) 8.431 13.042 ( 14.493 -9.016 11.960) 20.842 13.228 ( 11.328 -5.040 -5.213) 13.450 13.818 ( 13.926 10.201 1.912) 17.368 13.926 ( 14.420 6.283 -10.161) 18.726 14.414 ( 7.204 -2.151 13.571) 15.514 14.681 ( 8.379 0.003 -13.646) 16.013 15.434 ( 18.677 4.091 4.949) 19.750 15.493 ( 20.457 4.379 -1.351) 20.964 17.249 ( -8.747 -4.798 1.690) 10.119 17.280 ( -5.957 -3.167 -1.442) 6.899 17.741 ( -5.128 -1.736 3.396) 6.391 17.807 ( -1.860 -0.708 -3.452) 3.985 21.453 ( -6.835 2.565 3.889) 8.272 21.522 ( -4.351 3.773 -3.170) 6.574 22.568 ( -21.430 1.453 0.989) 21.502 22.602 ( -19.912 0.099 -2.600) 20.081 22.949 ( -10.658 -3.353 4.933) 12.214 23.031 ( -7.096 -3.954 -3.587) 8.880 ======================= Grid point 383 (123/147) ======================= q-point: (-0.46 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.288 ( -13.182 12.966 5.609) 19.322 3.393 ( -12.096 10.673 -3.335) 16.473 3.715 ( -13.943 10.714 -0.467) 17.590 3.794 ( -11.699 9.953 -7.551) 17.116 4.583 ( -5.527 -4.938 4.632) 8.740 4.661 ( -7.179 -0.485 4.591) 8.535 4.696 ( -8.063 -4.747 5.138) 10.675 4.881 ( -6.079 -5.223 -7.676) 11.097 5.188 ( -8.731 -1.788 12.196) 15.106 5.351 ( -5.376 -6.256 -3.424) 8.931 5.784 ( -8.844 4.385 20.603) 22.846 6.071 ( -11.818 7.743 -8.803) 16.646 6.475 ( -19.325 -12.576 12.008) 25.996 6.604 ( -10.187 -0.675 -5.211) 11.462 6.756 ( -20.275 10.637 -8.895) 24.563 6.962 ( -24.024 7.520 -25.178) 35.603 8.178 ( -4.562 -5.857 4.808) 8.845 8.268 ( 0.251 -8.421 -4.587) 9.592 8.548 ( -18.398 4.099 5.170) 19.545 8.686 ( -19.153 -1.024 -7.340) 20.537 9.220 ( -9.159 -9.015 14.674) 19.506 9.422 ( -18.366 -7.225 7.335) 21.055 9.473 ( -13.452 -3.917 -8.004) 16.136 9.576 ( -20.804 -2.877 -5.007) 21.591 10.546 ( -1.841 7.550 17.762) 19.388 10.732 ( 0.241 2.313 -1.136) 2.588 11.407 ( 1.928 2.453 8.112) 8.691 11.703 ( -0.217 13.806 -20.091) 24.378 12.547 ( 10.706 3.907 6.672) 13.206 12.701 ( 10.870 -2.231 -9.036) 14.310 13.379 ( 14.816 -2.937 9.371) 17.775 13.513 ( 15.042 -1.157 -4.305) 15.688 14.039 ( 14.503 3.538 3.647) 15.368 14.209 ( 15.873 2.017 -13.197) 20.741 14.625 ( 14.937 -0.376 13.310) 20.011 14.879 ( 13.789 3.357 -12.665) 19.022 15.758 ( 17.234 4.558 6.569) 18.998 15.848 ( 19.066 5.866 -2.922) 20.161 17.120 ( -10.105 -12.012 2.521) 15.898 17.173 ( -9.287 -9.789 -2.957) 13.813 17.654 ( -5.205 -1.466 7.128) 8.947 17.781 ( -1.327 -0.550 -6.146) 6.311 21.237 ( -14.628 1.706 6.736) 16.195 21.365 ( -10.227 2.680 -6.336) 12.325 22.057 ( -30.277 1.795 2.941) 30.473 22.128 ( -28.991 0.385 -4.533) 29.346 22.692 ( -18.758 -4.419 9.511) 21.490 22.861 ( -13.621 -5.175 -8.071) 16.657 ======================= Grid point 384 (124/147) ======================= q-point: (-0.38 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( -20.563 11.468 8.501) 25.032 3.061 ( -14.357 10.362 -8.175) 19.502 3.328 ( -14.180 20.153 3.630) 24.908 3.483 ( -10.343 15.806 -10.451) 21.587 4.436 ( -10.446 0.210 4.975) 11.572 4.497 ( -9.415 3.076 -0.541) 9.919 4.576 ( -10.124 -11.398 11.396) 19.034 4.758 ( -10.711 -7.274 -4.910) 13.847 5.075 ( -5.792 -2.856 16.039) 17.291 5.267 ( -7.712 2.630 -0.323) 8.154 5.559 ( -11.630 9.258 15.620) 21.562 5.649 ( -15.794 9.249 4.361) 18.815 6.155 ( -24.504 -7.989 -5.307) 26.315 6.209 ( -28.197 11.152 -17.332) 34.926 6.374 ( -17.117 -7.240 -2.666) 18.775 6.604 ( -13.772 -9.650 -22.928) 28.434 7.947 ( -19.942 3.508 9.943) 22.558 8.092 ( -20.460 5.383 -5.917) 21.968 8.370 ( -4.552 -9.479 3.442) 11.065 8.436 ( -9.402 -8.491 -2.639) 12.941 9.005 ( -19.141 1.152 13.041) 23.190 9.148 ( -8.338 -1.471 0.883) 8.512 9.277 ( -7.234 -9.473 2.602) 12.199 9.443 ( -1.722 -12.503 -10.681) 16.534 10.515 ( 2.806 3.191 23.727) 24.105 10.767 ( 3.901 1.094 -1.168) 4.216 11.431 ( 4.835 7.156 -1.588) 8.781 11.638 ( 5.860 15.317 -19.939) 25.817 12.821 ( 20.628 7.580 11.372) 24.744 13.011 ( 21.647 2.692 -8.133) 23.281 13.631 ( 13.296 6.293 8.501) 16.989 13.775 ( 13.438 5.705 -6.787) 16.100 14.316 ( 12.986 -5.435 4.164) 14.680 14.461 ( 9.690 -4.349 -8.363) 13.518 14.956 ( 18.850 4.050 8.767) 21.180 15.144 ( 16.912 6.244 -9.661) 20.453 15.998 ( 9.617 -0.307 5.373) 11.021 16.098 ( 10.452 2.942 -4.731) 11.844 17.079 ( -4.295 -15.260 2.018) 15.981 17.114 ( -5.656 -15.860 -1.465) 16.902 17.568 ( -4.565 -2.259 10.746) 11.892 17.763 ( -0.959 -0.759 -9.576) 9.654 20.853 ( -25.588 -0.816 10.381) 27.626 21.055 ( -22.518 0.593 -10.462) 24.836 21.425 ( -33.415 0.630 4.304) 33.697 21.521 ( -33.616 -0.366 -5.686) 34.095 22.334 ( -20.452 -3.222 15.070) 25.608 22.614 ( -15.338 -4.795 -14.023) 21.328 ======================= Grid point 385 (125/147) ======================= q-point: (-0.31 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( -22.548 11.175 15.786) 29.707 2.722 ( -13.018 7.980 -18.689) 24.134 2.909 ( -10.675 28.525 12.171) 32.799 3.189 ( -5.830 22.210 -15.642) 27.785 4.187 ( -13.655 6.926 13.909) 20.686 4.331 ( -7.080 -1.201 -1.526) 7.342 4.435 ( -13.681 0.683 14.774) 20.147 4.563 ( -10.048 -1.398 12.141) 15.822 4.874 ( -13.629 0.090 1.776) 13.744 5.041 ( -8.061 2.157 14.885) 17.064 5.296 ( -13.027 0.249 -7.685) 15.127 5.443 ( -12.317 6.957 -17.842) 22.769 5.621 ( -18.361 -2.512 -5.850) 19.433 5.761 ( -19.574 -8.551 -10.385) 23.751 6.122 ( -18.502 -14.342 7.582) 24.607 6.427 ( -11.411 -5.939 -22.939) 26.300 7.523 ( -17.023 10.264 8.691) 21.695 7.662 ( -17.358 9.069 -6.024) 20.490 8.228 ( -14.455 -10.696 8.094) 19.719 8.294 ( -15.066 -5.532 2.758) 16.285 8.818 ( -0.904 -4.730 9.871) 10.983 9.003 ( -3.941 -0.355 -8.112) 9.026 9.384 ( 6.401 -8.813 8.059) 13.549 9.571 ( 4.904 -11.892 -10.875) 16.844 10.624 ( 9.254 -4.048 29.762) 31.430 10.833 ( 4.572 4.496 6.444) 9.091 11.489 ( 8.225 12.125 -5.629) 15.696 11.756 ( 15.392 3.537 -28.070) 32.208 13.151 ( 19.973 13.086 17.546) 29.632 13.443 ( 25.523 9.281 -11.614) 29.537 13.838 ( 14.735 7.206 8.259) 18.364 13.962 ( 11.802 4.313 -5.688) 13.793 14.524 ( 0.435 -5.913 2.892) 6.596 14.625 ( 3.229 -6.794 -6.048) 9.652 15.234 ( 13.562 2.798 9.726) 16.922 15.409 ( 13.613 1.486 -8.768) 16.260 16.151 ( 4.582 -6.116 3.050) 8.229 16.251 ( 7.092 -2.920 -6.270) 9.906 17.092 ( -9.412 -9.312 5.556) 14.359 17.162 ( -0.792 -9.461 -1.052) 9.552 17.614 ( 9.774 -7.688 8.000) 14.786 17.789 ( 4.633 -3.062 -10.222) 11.633 20.282 ( -34.819 -2.456 11.747) 36.829 20.467 ( -36.551 2.209 -5.947) 37.098 20.822 ( -32.452 -6.128 -0.425) 33.028 20.887 ( -33.475 -4.130 -5.839) 34.230 22.000 ( -14.290 2.378 17.982) 23.092 22.365 ( -12.552 0.003 -19.881) 23.512 ======================= Grid point 386 (126/147) ======================= q-point: (-0.23 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -13.154 10.442 28.417) 33.009 2.493 ( -4.685 8.222 -30.003) 31.460 2.520 ( -7.521 28.718 23.107) 37.619 2.937 ( -2.429 26.151 -21.742) 34.095 3.712 ( -18.573 30.085 41.923) 54.841 4.178 ( -6.043 2.250 9.648) 11.604 4.236 ( -3.335 -0.760 -3.629) 4.987 4.481 ( -7.429 -3.585 -3.894) 9.122 4.707 ( -8.415 -2.972 -6.948) 11.310 4.812 ( -11.304 -1.740 9.046) 14.582 4.983 ( -11.695 1.938 -17.920) 21.486 5.159 ( -9.100 -1.481 -21.773) 23.645 5.578 ( -1.130 -13.088 8.002) 15.382 5.618 ( -5.173 -14.562 2.889) 15.721 5.892 ( -15.093 -12.732 8.426) 21.469 6.271 ( -6.880 -1.096 -26.360) 27.265 7.195 ( -8.662 11.135 8.031) 16.233 7.333 ( -9.249 10.464 -6.292) 15.318 8.014 ( -10.809 0.332 12.052) 16.192 8.093 ( -8.898 -8.783 4.238) 13.201 8.910 ( 3.233 -7.736 2.881) 8.865 8.988 ( 0.686 -1.203 -4.400) 4.613 9.570 ( 5.594 -7.549 7.559) 12.060 9.751 ( 4.392 -9.916 -10.902) 15.378 10.840 ( 3.323 5.062 16.166) 17.263 10.949 ( 13.839 -5.085 17.626) 22.980 11.620 ( 15.159 2.277 11.767) 19.325 12.188 ( 24.123 -13.231 -34.410) 44.057 13.372 ( 14.697 12.133 20.013) 27.636 13.742 ( 14.089 11.005 -18.597) 25.797 14.059 ( 7.261 3.022 12.970) 15.168 14.204 ( 12.472 2.027 -2.974) 12.981 14.396 ( -14.705 -9.752 10.127) 20.344 14.649 ( -6.613 -8.640 -15.371) 18.832 15.462 ( 10.953 1.269 12.221) 16.460 15.655 ( 11.630 -3.249 -7.832) 14.393 16.270 ( 3.981 -3.963 6.012) 8.228 16.423 ( 8.911 -2.027 -6.697) 11.330 16.838 ( -20.806 -8.828 8.940) 24.305 17.088 ( -11.687 -1.443 -13.420) 17.854 18.051 ( 28.044 -6.565 3.601) 29.026 18.107 ( 27.928 -1.610 -2.143) 28.056 19.567 ( -41.922 -1.440 8.597) 42.819 19.697 ( -41.322 4.362 -3.999) 41.743 20.262 ( -29.352 -11.368 4.755) 31.834 20.405 ( -20.556 -9.531 -9.290) 24.489 21.754 ( -7.012 10.288 16.587) 20.740 22.130 ( -8.215 10.398 -23.140) 26.666 ======================= Grid point 387 (127/147) ======================= q-point: (-0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -0.000 7.895 36.940) 37.775 2.215 ( -0.000 31.470 27.950) 42.089 2.421 ( -0.000 5.483 -33.848) 34.289 2.714 ( -0.000 27.498 -25.917) 37.787 3.271 ( -0.000 31.334 53.294) 61.823 4.137 ( 0.000 -2.291 9.239) 9.518 4.233 ( -0.000 0.180 1.630) 1.640 4.264 ( -0.000 9.039 -42.881) 43.823 4.683 ( 0.000 -2.699 3.182) 4.172 4.778 ( 0.000 -10.793 14.363) 17.966 4.837 ( -0.000 1.840 -10.373) 10.535 5.129 ( 0.000 -9.383 -18.792) 21.004 5.669 ( 0.000 -17.247 5.707) 18.167 5.725 ( 0.000 -5.465 20.335) 21.056 5.782 ( 0.000 -16.635 -6.051) 17.701 6.198 ( -0.000 2.344 -27.281) 27.381 7.035 ( -0.000 10.759 7.651) 13.202 7.167 ( -0.000 10.597 -6.072) 12.213 7.888 ( -0.000 3.742 17.134) 17.538 8.068 ( 0.000 -7.409 -1.351) 7.531 8.990 ( 0.000 -3.192 0.829) 3.298 9.021 ( 0.000 -4.755 -1.874) 5.111 9.678 ( 0.000 -6.499 7.693) 10.071 9.858 ( 0.000 -7.926 -10.742) 13.350 10.812 ( -0.000 7.972 16.368) 18.206 11.091 ( -0.000 3.225 -8.530) 9.120 11.995 ( 0.000 -27.540 35.659) 45.056 12.630 ( 0.000 -20.575 -29.741) 36.164 13.614 ( 0.000 -0.257 13.057) 13.060 13.872 ( 0.000 -1.303 28.115) 28.145 13.905 ( 0.000 -0.211 -17.259) 17.260 14.216 ( -0.000 1.654 -4.440) 4.738 14.391 ( 0.000 -2.815 6.931) 7.480 14.626 ( 0.000 -9.808 -17.915) 20.424 15.552 ( -0.000 6.423 12.648) 14.185 15.798 ( -0.000 5.742 -12.372) 13.639 16.383 ( 0.000 -0.098 26.264) 26.264 16.479 ( 0.000 -6.420 9.688) 11.622 16.714 ( 0.000 -9.475 -14.149) 17.029 16.880 ( 0.000 -0.083 -25.634) 25.635 18.655 ( 0.000 -0.937 9.574) 9.620 18.721 ( 0.000 -0.015 12.496) 12.496 18.836 ( -0.000 4.875 -9.818) 10.961 18.925 ( 0.000 -0.028 -8.951) 8.951 20.045 ( 0.000 -14.473 12.938) 19.413 20.279 ( 0.000 -12.071 -11.696) 16.808 21.584 ( -0.000 16.887 13.929) 21.890 21.921 ( -0.000 21.835 -22.479) 31.338 ======================= Grid point 392 (128/147) ======================= q-point: ( 0.23 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.627 ( 18.123 -0.000 15.033) 23.546 3.784 ( 10.607 -0.000 8.282) 13.457 3.949 ( 8.780 -0.000 -9.040) 12.602 3.964 ( 13.136 -0.000 -19.845) 23.799 4.709 ( -4.722 0.000 3.801) 6.062 4.731 ( 3.947 -0.000 5.848) 7.056 4.808 ( -2.188 0.000 0.806) 2.332 4.940 ( 2.378 -0.000 -4.926) 5.470 5.138 ( 1.966 -0.000 12.884) 13.034 5.378 ( 2.080 -0.000 -4.603) 5.052 5.732 ( 0.351 -0.000 14.494) 14.498 6.094 ( 0.407 -0.000 -19.914) 19.918 6.724 ( 3.669 -0.000 17.321) 17.706 7.093 ( 4.121 -0.000 -18.402) 18.858 8.153 ( -1.268 0.000 2.148) 2.494 8.182 ( -4.270 0.000 3.044) 5.243 8.191 ( 6.593 -0.000 -4.340) 7.893 8.289 ( -13.242 0.000 -2.029) 13.397 8.835 ( 8.014 -0.000 -3.164) 8.616 8.838 ( 11.161 -0.000 -5.034) 12.244 9.636 ( -0.947 0.000 13.011) 13.046 9.818 ( -0.908 0.000 -6.958) 7.017 10.301 ( 21.109 -0.000 19.636) 28.830 10.333 ( -0.794 0.000 5.456) 5.513 10.401 ( -2.794 0.000 1.128) 3.013 10.598 ( 13.880 -0.000 -7.400) 15.730 11.482 ( 9.635 -0.000 -8.399) 12.782 11.488 ( -3.204 0.000 -5.991) 6.794 12.236 ( 6.988 -0.000 14.881) 16.441 12.505 ( 4.304 -0.000 -11.092) 11.898 13.158 ( -19.151 0.000 9.089) 21.199 13.329 ( -14.587 0.000 -5.292) 15.517 13.679 ( 6.990 -0.000 -2.428) 7.399 13.715 ( 6.052 -0.000 -3.418) 6.950 14.256 ( -8.654 0.000 11.897) 14.711 14.515 ( -4.816 0.000 -14.158) 14.954 15.144 ( -4.485 0.000 2.786) 5.280 15.180 ( -4.591 0.000 -0.908) 4.680 17.362 ( -0.520 0.000 3.522) 3.561 17.424 ( -2.165 0.000 -2.827) 3.561 17.861 ( -0.621 0.000 -0.383) 0.730 17.864 ( -1.401 0.000 -0.539) 1.501 21.587 ( 1.475 -0.000 2.748) 3.119 21.634 ( 1.818 -0.000 -2.043) 2.735 22.737 ( 11.655 -0.000 1.099) 11.707 22.765 ( 11.866 -0.000 -1.757) 11.995 23.140 ( -2.211 0.000 0.323) 2.235 23.143 ( -1.525 0.000 0.128) 1.530 ======================= Grid point 393 (129/147) ======================= q-point: ( 0.31 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.818 ( 5.370 9.012 8.635) 13.588 3.911 ( 1.247 2.329 2.878) 3.906 4.054 ( 4.165 -1.172 -5.127) 6.709 4.122 ( 1.822 -1.609 -10.713) 10.985 4.600 ( -5.910 -0.211 7.072) 9.219 4.739 ( -2.234 -0.606 -7.582) 7.928 4.819 ( 0.847 -2.959 9.097) 9.604 4.953 ( -1.346 1.018 -0.676) 1.818 5.177 ( 0.340 -3.855 8.940) 9.741 5.419 ( -0.175 -4.873 -9.576) 10.746 5.727 ( -1.786 -3.932 17.634) 18.155 6.100 ( -0.075 -1.699 -18.266) 18.345 6.722 ( -4.185 -1.094 18.245) 18.751 7.092 ( -3.729 1.199 -17.404) 17.840 7.906 ( -13.522 7.793 2.693) 15.838 7.976 ( -15.747 5.489 -3.264) 16.992 8.217 ( 1.678 5.449 -0.929) 5.777 8.259 ( 2.326 4.227 -4.085) 6.321 8.889 ( -5.007 -8.283 0.388) 9.687 8.941 ( -3.888 -7.425 -5.034) 9.777 9.550 ( -8.298 -0.017 12.266) 14.809 9.740 ( -7.380 0.110 -8.670) 11.386 10.146 ( -14.679 -0.070 7.195) 16.347 10.238 ( -13.677 -0.727 -1.256) 13.754 10.678 ( 15.259 0.444 17.713) 23.383 10.832 ( 6.041 1.530 0.593) 6.260 11.376 ( -5.691 0.258 7.624) 9.517 11.693 ( 12.709 0.537 -24.802) 27.874 12.381 ( 3.761 -4.544 8.072) 9.997 12.552 ( -1.538 -3.871 -9.399) 10.280 12.846 ( -8.466 -0.126 15.254) 17.446 13.139 ( -3.593 2.054 -12.322) 12.998 13.774 ( 6.036 2.795 2.777) 7.208 13.852 ( 8.393 3.353 -5.502) 10.581 14.245 ( 4.957 -1.697 13.616) 14.590 14.530 ( 5.076 -0.779 -14.796) 15.662 15.198 ( 10.574 1.122 2.936) 11.031 15.232 ( 10.820 0.936 -0.786) 10.889 17.337 ( -2.644 -0.173 1.204) 2.910 17.354 ( -5.842 -0.194 -0.422) 5.861 17.808 ( -4.310 -0.386 0.994) 4.440 17.834 ( -1.978 -0.192 -1.768) 2.660 21.581 ( -1.773 1.231 3.327) 3.966 21.639 ( -0.665 1.750 -2.666) 3.258 22.827 ( -3.812 -0.692 0.833) 3.963 22.857 ( -4.843 -0.548 -2.365) 5.417 23.053 ( -6.139 -0.406 1.335) 6.296 23.066 ( -4.605 -0.791 0.121) 4.674 ======================= Grid point 394 (130/147) ======================= q-point: (-0.62 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.741 ( -5.660 10.681 3.876) 12.694 3.801 ( -6.927 8.663 -1.405) 11.180 4.048 ( -6.070 2.410 -1.482) 6.697 4.099 ( -2.936 2.830 -7.052) 8.146 4.512 ( -4.879 -4.754 9.993) 12.094 4.697 ( -3.752 -3.112 -8.593) 9.879 4.813 ( -4.590 -1.180 9.648) 10.749 4.886 ( -4.520 -1.682 1.919) 5.190 5.189 ( -3.207 -6.244 6.163) 9.341 5.393 ( -6.596 -3.347 -12.923) 14.891 5.752 ( -1.172 -10.883 20.189) 22.965 6.111 ( -1.054 -2.304 -13.417) 13.654 6.585 ( -11.158 -2.826 14.941) 18.860 6.931 ( -11.538 3.028 -16.243) 20.153 7.508 ( -18.451 15.543 3.649) 24.399 7.632 ( -15.775 10.840 -10.676) 21.917 8.176 ( -1.876 5.251 2.551) 6.132 8.236 ( -0.178 4.989 -4.204) 6.527 8.778 ( -14.073 -12.134 -0.093) 18.582 8.822 ( -15.723 -14.978 -3.982) 22.077 9.333 ( -13.747 -0.884 13.035) 18.965 9.541 ( -12.766 -0.263 -9.092) 15.675 9.835 ( -17.831 -0.682 5.605) 18.703 9.919 ( -19.784 -1.454 -2.438) 19.986 10.773 ( -2.895 5.405 9.835) 11.590 10.822 ( -2.761 1.502 3.797) 4.929 11.357 ( 3.338 -0.592 21.455) 21.721 11.882 ( 7.340 6.275 -29.547) 31.085 12.419 ( 0.131 -6.550 1.794) 6.792 12.528 ( -1.607 -3.788 -8.799) 9.713 12.948 ( 14.326 -4.006 15.608) 21.561 13.189 ( 9.729 -0.851 -7.163) 12.112 13.957 ( 15.461 7.891 -0.053) 17.359 14.012 ( 12.982 5.071 -7.103) 15.643 14.373 ( 6.583 -3.135 14.899) 16.588 14.673 ( 9.299 -0.849 -15.525) 18.117 15.494 ( 20.357 3.503 4.881) 21.225 15.548 ( 21.771 2.921 -1.063) 21.992 17.190 ( -12.507 -3.027 2.352) 13.081 17.239 ( -9.051 -2.167 -2.723) 9.697 17.721 ( -4.895 -0.948 4.311) 6.591 17.798 ( -1.808 -0.431 -3.784) 4.216 21.492 ( -6.618 2.311 4.649) 8.412 21.576 ( -4.389 3.119 -3.974) 6.692 22.583 ( -21.097 0.668 0.105) 21.107 22.598 ( -19.823 -0.474 -1.498) 19.885 22.907 ( -11.515 -2.217 4.382) 12.518 22.979 ( -7.979 -2.847 -3.057) 9.006 ======================= Grid point 395 (131/147) ======================= q-point: (-0.54 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.460 ( -15.204 10.147 3.440) 18.599 3.551 ( -12.064 10.167 -5.234) 16.622 3.850 ( -9.330 8.831 2.131) 13.022 3.945 ( -7.422 10.239 -6.694) 14.308 4.467 ( -6.146 -9.470 8.912) 14.384 4.628 ( -8.181 -5.858 -2.722) 10.424 4.658 ( -9.096 0.402 9.096) 12.870 4.810 ( -7.538 -4.570 -3.411) 9.452 5.138 ( -6.622 -4.495 5.313) 9.606 5.254 ( -8.852 -5.577 -7.484) 12.864 5.790 ( -3.491 -6.217 19.072) 20.361 6.049 ( -7.559 -1.687 -0.391) 7.754 6.379 ( -13.934 -6.143 1.767) 15.330 6.617 ( -17.635 3.330 -13.628) 22.534 6.992 ( -22.017 20.409 3.126) 30.183 7.170 ( -21.631 17.200 -16.380) 32.125 8.082 ( -8.151 -5.759 6.249) 11.775 8.201 ( -2.423 -0.562 -7.098) 7.521 8.551 ( -15.105 -4.297 0.169) 15.705 8.598 ( -17.895 -12.039 -3.764) 21.894 9.101 ( -11.083 -6.071 14.179) 18.993 9.304 ( -12.927 -5.053 -4.397) 14.560 9.471 ( -19.948 0.267 0.770) 19.964 9.531 ( -21.638 -2.962 -2.476) 21.979 10.644 ( -4.074 5.759 11.680) 13.645 10.761 ( -0.898 1.579 0.266) 1.835 11.436 ( 4.452 1.535 18.987) 19.562 11.891 ( 2.325 11.743 -25.209) 27.907 12.560 ( 11.558 -2.601 1.463) 11.937 12.649 ( 12.302 -3.610 -8.161) 15.197 13.314 ( 18.696 -4.887 12.808) 23.183 13.490 ( 18.924 -1.757 -4.405) 19.509 14.135 ( 10.642 8.450 2.554) 13.827 14.261 ( 12.456 4.412 -10.513) 16.886 14.614 ( 18.706 -1.265 14.400) 23.641 14.919 ( 17.071 1.851 -16.241) 23.635 15.847 ( 18.705 7.263 7.124) 21.292 15.938 ( 20.439 6.078 -2.536) 21.474 16.947 ( -16.725 -11.295 3.662) 20.512 17.031 ( -15.818 -9.161 -5.243) 19.017 17.639 ( -4.661 -0.681 8.010) 9.293 17.772 ( -1.496 -0.659 -6.019) 6.237 21.274 ( -14.912 2.866 7.292) 16.845 21.412 ( -10.919 3.398 -6.932) 13.373 22.077 ( -30.534 1.039 2.027) 30.619 22.127 ( -29.353 -0.406 -3.119) 29.521 22.630 ( -19.236 -3.887 8.725) 21.478 22.786 ( -14.415 -4.764 -7.460) 16.915 ======================= Grid point 396 (132/147) ======================= q-point: (-0.46 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.034 ( -21.227 10.222 6.195) 24.361 3.204 ( -16.285 9.086 -10.916) 21.609 3.584 ( -9.469 15.088 6.240) 18.875 3.705 ( -7.216 14.960 -6.172) 17.719 4.396 ( -8.513 -9.577 7.852) 15.028 4.430 ( -11.825 -3.282 11.222) 16.629 4.542 ( -7.372 -1.140 -4.212) 8.567 4.638 ( -12.750 -5.701 -8.790) 16.502 5.024 ( -7.332 -3.851 10.328) 13.238 5.181 ( -5.836 -10.249 -3.932) 12.432 5.650 ( -10.141 5.717 19.006) 22.288 5.886 ( -12.767 -2.066 -4.078) 13.561 5.990 ( -24.926 6.561 14.864) 29.754 6.314 ( -22.588 -7.128 -14.946) 28.007 6.408 ( -20.685 15.772 -3.267) 26.216 6.632 ( -18.237 15.525 -25.327) 34.858 7.913 ( -15.202 -7.736 10.750) 20.162 8.093 ( -15.184 -6.361 -8.784) 18.660 8.297 ( -9.530 -0.530 1.603) 9.678 8.341 ( -15.093 -4.139 -2.234) 15.809 9.003 ( -16.566 -2.218 14.147) 21.897 9.077 ( -1.520 -7.452 7.982) 11.025 9.170 ( -15.915 -4.091 -4.877) 17.141 9.276 ( -3.348 -9.907 -10.729) 14.983 10.565 ( -0.478 3.488 17.971) 18.313 10.787 ( 4.413 1.347 -2.899) 5.450 11.511 ( 6.085 4.235 8.859) 11.552 11.853 ( 3.988 13.664 -22.853) 26.923 12.900 ( 23.201 2.761 6.590) 24.276 13.025 ( 24.909 0.008 -6.889) 25.844 13.676 ( 16.164 -0.477 11.167) 19.653 13.851 ( 17.208 3.603 -6.461) 18.730 14.281 ( 9.520 1.721 4.602) 10.713 14.420 ( 7.056 -0.507 -7.149) 10.058 15.034 ( 23.659 6.086 8.808) 25.968 15.257 ( 19.770 8.254 -12.679) 24.895 16.013 ( 2.033 2.854 7.202) 8.009 16.151 ( 4.322 4.560 -6.860) 9.302 16.842 ( -2.020 -16.885 2.217) 17.149 16.878 ( -6.048 -16.395 -1.701) 17.558 17.540 ( -6.493 -1.541 11.761) 13.523 17.744 ( -2.385 -1.642 -9.594) 10.021 20.862 ( -26.542 1.684 10.949) 28.761 21.075 ( -23.322 1.831 -11.117) 25.901 21.433 ( -35.599 0.365 3.910) 35.815 21.515 ( -34.281 -0.421 -4.396) 34.565 22.278 ( -19.045 -4.133 13.950) 23.967 22.538 ( -14.317 -5.257 -12.899) 19.975 ======================= Grid point 397 (133/147) ======================= q-point: (-0.38 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( -22.424 10.843 12.990) 28.092 2.842 ( -13.747 8.277 -18.628) 24.586 3.261 ( -11.096 20.081 14.082) 26.920 3.477 ( -4.246 17.375 -9.193) 20.111 4.247 ( -8.386 0.075 5.286) 9.914 4.316 ( -7.802 -8.688 11.516) 16.400 4.345 ( -8.292 3.195 -3.349) 9.496 4.515 ( -6.650 -8.585 -6.173) 12.491 4.885 ( -11.284 -1.693 14.543) 18.485 5.130 ( -7.337 -2.649 -1.616) 7.967 5.361 ( -21.259 10.904 9.721) 25.794 5.434 ( -8.993 6.806 13.826) 17.843 5.641 ( -21.851 -8.525 -8.593) 24.980 5.745 ( -26.412 9.505 -17.715) 33.193 6.010 ( -16.798 2.473 2.763) 17.203 6.360 ( -8.897 -1.636 -26.397) 27.904 7.632 ( -14.922 3.876 8.475) 17.593 7.761 ( -16.310 4.058 -5.110) 17.567 8.073 ( -15.591 -9.419 6.960) 19.500 8.179 ( -11.910 -10.014 -3.482) 15.945 8.762 ( -6.129 -3.019 14.794) 16.296 8.978 ( -5.822 -3.082 -7.601) 10.058 9.244 ( 7.355 -9.941 5.831) 13.672 9.394 ( 5.461 -11.939 -9.140) 15.997 10.593 ( 5.363 -0.455 26.716) 27.253 10.891 ( 7.582 3.287 0.197) 8.266 11.617 ( 8.674 5.416 -3.885) 10.940 11.858 ( 6.290 9.950 -23.055) 25.887 13.333 ( 24.311 11.053 13.443) 29.899 13.539 ( 28.019 4.395 -6.646) 29.130 13.938 ( 14.330 3.942 7.295) 16.556 14.049 ( 8.912 8.152 -4.975) 13.062 14.429 ( -0.465 -5.412 3.204) 6.306 14.543 ( 4.087 -3.217 -6.099) 8.016 15.290 ( 6.744 4.149 9.689) 12.512 15.451 ( 5.165 3.813 -8.344) 10.528 16.053 ( 4.145 -7.050 2.265) 8.486 16.182 ( 4.417 -6.773 -10.345) 13.130 16.975 ( -0.931 -6.226 7.467) 9.767 17.053 ( 9.730 -5.258 -0.496) 11.071 17.500 ( 5.874 -7.798 10.303) 14.194 17.726 ( 0.413 -5.261 -12.806) 13.851 20.267 ( -33.916 0.224 13.995) 36.691 20.501 ( -34.305 2.411 -8.576) 35.442 20.749 ( -36.288 -4.139 1.882) 36.572 20.844 ( -36.205 -1.945 -6.079) 36.763 22.006 ( -11.395 -1.279 16.905) 20.427 22.342 ( -9.072 -2.566 -17.820) 20.160 ======================= Grid point 398 (134/147) ======================= q-point: (-0.31 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( -14.151 10.813 25.340) 30.973 2.601 ( -5.004 7.716 -27.638) 29.128 2.888 ( -11.139 21.195 25.589) 35.044 3.282 ( -2.120 20.560 -16.786) 26.626 4.081 ( -3.648 13.547 11.120) 17.902 4.195 ( -5.816 -1.758 6.305) 8.756 4.272 ( -3.998 3.086 3.123) 5.938 4.461 ( -1.281 4.163 1.895) 4.750 4.634 ( -9.910 -1.557 6.200) 11.793 4.829 ( -14.847 5.992 15.480) 22.270 5.028 ( -13.713 2.700 -17.482) 22.382 5.241 ( -14.744 10.169 -28.827) 33.938 5.340 ( -6.252 -15.604 7.036) 18.223 5.437 ( -5.579 -11.644 -4.230) 13.587 5.758 ( -10.908 -4.337 17.859) 21.371 6.239 ( -5.483 -2.803 -28.341) 29.003 7.342 ( -9.083 8.925 7.364) 14.710 7.470 ( -9.005 8.218 -5.794) 13.498 7.918 ( -8.528 -11.750 10.076) 17.672 8.008 ( -9.612 -4.972 2.305) 11.065 8.786 ( 1.607 -8.988 9.302) 13.034 8.954 ( -0.424 -3.725 -6.910) 7.861 9.448 ( 5.771 -8.958 5.445) 11.967 9.593 ( 5.118 -11.329 -9.240) 15.489 10.793 ( 11.685 -6.380 32.111) 34.762 10.994 ( 6.615 7.121 11.236) 14.856 11.722 ( 7.025 8.955 -6.673) 13.194 12.032 ( 14.206 -7.241 -31.211) 35.048 13.557 ( 9.039 12.852 17.051) 23.186 13.875 ( 8.064 7.005 -14.800) 18.252 14.134 ( 3.747 6.655 11.128) 13.496 14.221 ( 8.767 -0.961 0.827) 8.858 14.265 ( -8.073 -6.601 10.305) 14.661 14.567 ( -3.837 -1.374 -17.379) 17.850 15.429 ( 8.389 -6.318 9.899) 14.431 15.557 ( 7.768 -9.579 -4.711) 13.203 16.226 ( 7.749 -2.178 3.638) 8.833 16.389 ( 11.139 -2.469 -12.705) 17.076 16.746 ( -21.352 -3.686 17.328) 27.744 17.085 ( -9.907 0.951 -15.801) 18.674 17.952 ( 30.840 -7.012 5.418) 32.088 18.067 ( 33.411 -3.757 -5.639) 34.091 19.560 ( -41.449 0.447 13.046) 43.456 19.759 ( -40.906 4.069 -6.156) 41.566 20.135 ( -29.250 -6.907 5.891) 30.626 20.301 ( -20.158 -5.139 -9.443) 22.846 21.848 ( -4.911 3.199 17.182) 18.154 22.219 ( -4.187 2.799 -21.256) 21.845 ======================= Grid point 399 (135/147) ======================= q-point: (-0.23 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -0.000 9.640 34.178) 35.512 2.513 ( -0.000 7.003 -32.467) 33.214 2.604 ( -0.000 22.655 31.929) 39.150 3.097 ( -0.000 23.982 -21.935) 32.501 3.831 ( -0.000 41.584 30.411) 51.517 4.107 ( 0.000 -1.670 9.060) 9.213 4.235 ( -0.000 0.103 -1.594) 1.598 4.389 ( -0.000 7.813 -13.420) 15.528 4.633 ( 0.000 -9.665 5.330) 11.037 4.647 ( 0.000 -2.259 7.937) 8.252 4.859 ( -0.000 1.263 -11.723) 11.791 5.053 ( -0.000 2.399 -32.112) 32.201 5.407 ( 0.000 -18.450 6.192) 19.461 5.526 ( 0.000 -18.065 -6.359) 19.152 5.662 ( 0.000 -2.963 26.097) 26.265 6.201 ( 0.000 -1.650 -29.476) 29.522 7.186 ( -0.000 9.815 7.393) 12.288 7.317 ( -0.000 9.670 -6.056) 11.410 7.905 ( 0.000 -4.818 9.500) 10.652 7.945 ( 0.000 -6.540 6.755) 9.402 8.880 ( 0.000 -9.725 4.350) 10.654 8.981 ( 0.000 -3.046 -5.022) 5.873 9.569 ( 0.000 -8.349 6.008) 10.286 9.723 ( 0.000 -10.396 -9.623) 14.166 10.927 ( -0.000 5.212 20.136) 20.799 11.071 ( 0.000 -3.516 16.569) 16.938 11.784 ( 0.000 -1.544 9.978) 10.097 12.335 ( 0.000 -18.521 -34.770) 39.395 13.610 ( 0.000 -0.310 13.094) 13.098 13.902 ( 0.000 -0.255 -17.299) 17.301 13.923 ( -0.000 6.826 26.224) 27.098 14.233 ( -0.000 0.156 1.655) 1.662 14.394 ( -0.000 2.612 0.682) 2.699 14.532 ( 0.000 -2.292 -18.223) 18.367 15.576 ( 0.000 -3.302 13.161) 13.569 15.775 ( 0.000 -7.881 -7.055) 10.577 16.381 ( 0.000 -0.118 26.281) 26.281 16.402 ( 0.000 -4.064 5.112) 6.531 16.601 ( 0.000 -5.133 -15.651) 16.472 16.878 ( 0.000 -0.100 -25.641) 25.642 18.642 ( 0.000 -0.820 12.844) 12.870 18.720 ( 0.000 -0.018 12.482) 12.482 18.888 ( -0.000 2.395 -12.846) 13.067 18.925 ( 0.000 -0.034 -8.942) 8.942 19.898 ( 0.000 -7.034 14.247) 15.889 20.149 ( 0.000 -6.231 -11.863) 13.400 21.761 ( -0.000 7.762 16.449) 18.189 22.134 ( -0.000 8.753 -22.679) 24.310 ======================= Grid point 406 (136/147) ======================= q-point: (-0.69 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.825 ( -8.215 0.000 2.732) 8.657 3.876 ( -6.487 0.000 -1.852) 6.746 4.067 ( -1.172 0.000 -0.452) 1.256 4.116 ( -1.698 0.000 -6.166) 6.396 4.478 ( -6.800 0.000 10.050) 12.134 4.667 ( -5.392 0.000 -9.897) 11.270 4.796 ( -2.163 0.000 8.702) 8.967 4.875 ( -7.494 0.000 6.816) 10.130 5.147 ( -2.203 0.000 0.861) 2.366 5.357 ( -5.197 0.000 -12.804) 13.819 5.670 ( -1.824 0.000 22.507) 22.580 6.094 ( 0.154 -0.000 -20.012) 20.012 6.568 ( -11.693 0.000 21.160) 24.176 6.952 ( -11.363 0.000 -15.995) 19.620 7.644 ( -18.718 0.000 0.703) 18.731 7.685 ( -13.748 0.000 -6.162) 15.065 8.277 ( 2.672 -0.000 0.038) 2.672 8.313 ( -0.381 0.000 -3.333) 3.355 8.594 ( -20.146 0.000 4.114) 20.562 8.707 ( -17.016 0.000 -7.529) 18.608 9.329 ( -14.109 0.000 12.864) 19.093 9.545 ( -12.811 0.000 -10.551) 16.596 9.827 ( -18.088 0.000 6.143) 19.103 9.909 ( -19.780 0.000 -2.221) 19.904 10.820 ( -0.460 0.000 8.196) 8.209 10.828 ( -5.142 0.000 4.194) 6.635 11.353 ( 3.611 -0.000 24.250) 24.517 11.935 ( 9.897 -0.000 -33.670) 35.095 12.360 ( -0.138 0.000 4.720) 4.722 12.496 ( -0.286 0.000 -9.481) 9.485 12.920 ( 13.628 -0.000 16.861) 21.680 13.186 ( 8.562 -0.000 -8.397) 11.992 14.018 ( 17.977 -0.000 -1.811) 18.068 14.055 ( 11.501 -0.000 -5.641) 12.810 14.344 ( 5.857 -0.000 16.478) 17.488 14.665 ( 9.571 -0.000 -16.310) 18.911 15.521 ( 21.213 -0.000 4.571) 21.700 15.570 ( 22.339 -0.000 -0.814) 22.354 17.168 ( -14.089 0.000 2.583) 14.324 17.223 ( -10.344 0.000 -3.169) 10.818 17.714 ( -4.749 0.000 4.623) 6.627 17.795 ( -1.799 0.000 -3.895) 4.290 21.510 ( -6.526 0.000 4.957) 8.195 21.600 ( -4.422 0.000 -4.303) 6.170 22.589 ( -21.193 0.000 -0.472) 21.198 22.592 ( -19.479 0.000 -0.821) 19.497 22.890 ( -11.879 0.000 4.097) 12.566 22.957 ( -8.346 0.000 -2.789) 8.800 ======================= Grid point 408 (137/147) ======================= q-point: (-0.62 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.566 ( -16.628 3.929 2.339) 17.245 3.658 ( -14.094 3.846 -6.992) 16.196 3.977 ( -5.266 7.527 2.985) 9.659 4.063 ( -3.138 4.315 -5.828) 7.901 4.348 ( -8.359 -5.235 10.852) 14.664 4.536 ( -9.903 -5.209 -8.615) 14.122 4.672 ( -11.463 1.233 13.241) 17.556 4.745 ( -5.868 -3.698 5.416) 8.800 5.087 ( -4.713 -1.782 -3.509) 6.140 5.203 ( -10.843 -1.726 -13.927) 17.734 5.673 ( -0.804 -5.768 24.175) 24.866 6.080 ( -3.040 3.043 -13.081) 13.770 6.291 ( -16.903 -4.412 15.910) 23.629 6.658 ( -18.956 1.624 -16.780) 25.368 7.245 ( -19.228 11.121 3.921) 22.556 7.373 ( -17.663 7.706 -11.478) 22.430 8.080 ( -17.324 7.347 7.299) 20.184 8.228 ( -14.980 0.437 -8.329) 17.146 8.374 ( -5.089 -12.594 1.261) 13.642 8.442 ( -9.339 -9.133 -5.663) 14.237 9.053 ( -13.605 -1.134 13.909) 19.490 9.276 ( -14.286 -0.081 -8.824) 16.792 9.463 ( -20.142 -1.067 3.122) 20.411 9.504 ( -22.220 -0.637 -1.381) 22.272 10.704 ( -5.595 2.228 7.072) 9.289 10.777 ( -1.280 0.518 1.344) 1.927 11.451 ( 5.813 0.571 26.321) 26.962 12.025 ( 2.864 5.709 -31.002) 31.653 12.497 ( 13.404 -3.852 2.991) 14.263 12.616 ( 13.665 -1.112 -9.548) 16.708 13.261 ( 19.534 -2.036 15.007) 24.717 13.471 ( 19.746 -0.694 -5.326) 20.464 14.245 ( 9.360 5.299 -0.266) 10.759 14.309 ( 9.214 1.416 -5.867) 11.014 14.594 ( 23.244 -1.088 15.110) 27.745 14.932 ( 19.149 0.244 -18.081) 26.338 15.940 ( 22.557 4.247 6.000) 23.725 16.008 ( 22.801 2.885 -1.281) 23.018 16.818 ( -23.522 -5.315 4.792) 24.587 16.930 ( -21.176 -4.028 -6.955) 22.650 17.632 ( -4.383 -0.204 8.175) 9.279 17.764 ( -1.749 -0.300 -5.777) 6.043 21.308 ( -15.027 1.388 7.545) 16.872 21.450 ( -11.501 1.537 -7.191) 13.651 22.088 ( -30.685 0.373 1.339) 30.716 22.120 ( -29.362 -0.307 -2.017) 29.433 22.588 ( -19.630 -1.594 8.071) 21.285 22.735 ( -14.794 -1.965 -7.047) 16.504 ======================= Grid point 409 (138/147) ======================= q-point: (-0.54 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.157 ( -21.820 6.231 4.597) 23.153 3.312 ( -17.670 5.387 -11.470) 21.744 3.778 ( -8.079 11.675 7.582) 16.095 3.914 ( -5.404 13.245 -5.571) 15.352 4.249 ( -7.626 -9.465 8.077) 14.594 4.374 ( -11.952 -6.796 2.793) 14.030 4.457 ( -10.263 -4.848 4.547) 12.228 4.625 ( -8.502 0.031 -1.649) 8.660 4.978 ( -8.653 -1.963 -2.409) 9.194 5.043 ( -7.530 -7.455 -7.819) 13.169 5.674 ( -5.077 -7.071 21.071) 22.798 5.790 ( -20.865 4.468 15.728) 26.508 6.112 ( -9.804 -3.708 -11.366) 15.462 6.212 ( -26.014 -0.168 -15.988) 30.534 6.724 ( -21.698 23.482 4.621) 32.304 6.908 ( -18.884 18.827 -15.156) 30.672 7.771 ( -15.496 -9.891 8.198) 20.129 7.932 ( -17.914 -14.129 -8.614) 24.388 8.297 ( -9.882 -0.694 -0.375) 9.914 8.313 ( -13.008 -0.293 -1.806) 13.136 8.923 ( -2.621 -5.904 11.862) 13.507 9.019 ( -14.033 -1.541 5.152) 15.028 9.127 ( -16.361 -2.654 -1.248) 16.621 9.170 ( -6.908 -4.191 -9.531) 12.495 10.609 ( -2.281 2.312 13.426) 13.813 10.803 ( 4.514 0.773 -4.010) 6.087 11.557 ( 6.393 2.124 18.076) 19.291 12.017 ( 2.357 8.355 -26.504) 27.889 12.902 ( 26.138 -1.505 5.195) 26.692 13.028 ( 27.893 0.325 -8.395) 29.131 13.642 ( 17.478 -2.909 14.468) 22.875 13.870 ( 19.391 -0.251 -8.163) 21.041 14.350 ( 7.187 6.104 3.456) 10.043 14.434 ( 6.176 1.178 -3.364) 7.131 15.116 ( 29.206 4.699 8.560) 30.795 15.357 ( 24.470 4.848 -14.367) 28.787 16.090 ( -12.201 7.576 6.904) 15.935 16.231 ( -6.389 6.199 -7.240) 11.474 16.605 ( 5.719 -14.767 3.105) 16.137 16.650 ( -1.921 -14.391 -2.279) 14.697 17.523 ( -7.981 -0.786 11.751) 14.227 17.721 ( -3.693 -1.314 -9.013) 9.828 20.891 ( -27.447 1.807 10.863) 29.574 21.100 ( -24.674 1.388 -10.946) 27.028 21.436 ( -36.954 0.075 3.805) 37.149 21.511 ( -34.012 -0.107 -3.683) 34.211 22.224 ( -18.327 -2.985 13.228) 22.798 22.473 ( -13.311 -3.362 -12.414) 18.510 ======================= Grid point 410 (139/147) ======================= q-point: (-0.46 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( -22.692 8.081 10.975) 26.470 2.951 ( -14.356 6.417 -17.913) 23.836 3.499 ( -11.977 12.931 15.369) 23.385 3.702 ( -5.354 13.936 -6.215) 16.171 4.193 ( -4.642 -6.713 7.698) 11.219 4.208 ( -7.692 -4.528 9.172) 12.798 4.377 ( -4.593 -9.017 -7.466) 12.575 4.433 ( -8.068 6.207 -8.592) 13.321 4.836 ( -8.429 -4.044 8.212) 12.443 4.992 ( -5.383 -11.054 -5.642) 13.528 5.348 ( -23.147 -3.602 12.054) 26.344 5.540 ( -15.629 -3.513 4.351) 16.600 5.696 ( -20.621 3.957 1.365) 21.042 5.842 ( -19.703 10.537 -6.347) 23.228 6.183 ( -15.752 19.920 2.160) 25.487 6.462 ( -12.207 16.435 -22.878) 30.701 7.604 ( -9.957 -7.739 7.316) 14.580 7.739 ( -12.958 -9.555 -6.715) 17.445 7.980 ( -19.325 -3.172 4.177) 20.024 8.056 ( -14.757 -4.378 -3.750) 15.843 8.730 ( -9.557 -1.235 14.480) 17.393 8.914 ( -7.380 -5.610 -4.609) 10.353 9.118 ( 8.531 -6.766 3.718) 11.506 9.241 ( 6.000 -8.654 -8.334) 13.430 10.601 ( 3.281 1.118 23.038) 23.297 10.927 ( 9.031 1.762 -5.153) 10.546 11.669 ( 7.272 2.318 4.961) 9.103 12.003 ( 2.752 8.800 -23.674) 25.406 13.454 ( 29.947 5.350 9.228) 31.790 13.589 ( 29.090 2.936 -4.764) 29.623 13.940 ( 11.685 -2.439 11.225) 16.386 14.141 ( 8.897 2.389 -9.108) 12.954 14.416 ( 0.629 4.499 5.359) 7.026 14.548 ( 7.792 3.178 -6.068) 10.375 15.336 ( -9.999 1.800 11.492) 15.339 15.516 ( -8.835 5.113 -9.086) 13.666 15.958 ( 8.742 -5.577 -0.395) 10.377 16.058 ( 6.846 -9.793 -10.693) 16.034 16.920 ( 12.458 -1.463 8.237) 15.006 17.005 ( 18.825 -1.685 -0.556) 18.909 17.393 ( 0.483 -6.639 11.595) 13.370 17.647 ( -4.494 -5.145 -14.020) 15.596 20.281 ( -33.532 1.349 14.642) 36.614 20.533 ( -32.228 1.886 -10.314) 33.890 20.700 ( -39.569 -2.704 4.840) 39.956 20.825 ( -37.959 -0.921 -6.668) 38.551 21.976 ( -9.812 -2.397 16.481) 19.330 22.303 ( -6.798 -2.504 -17.118) 18.588 ======================= Grid point 411 (140/147) ======================= q-point: (-0.38 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( -15.033 9.074 23.003) 28.939 2.710 ( -5.560 6.908 -26.310) 27.764 3.151 ( -12.272 15.259 26.457) 32.915 3.526 ( -3.047 13.174 -13.031) 18.778 4.155 ( -4.471 -2.411 8.050) 9.518 4.161 ( 0.087 -1.467 2.713) 3.085 4.282 ( -0.501 3.270 -4.644) 5.702 4.393 ( -2.338 -7.909 -12.363) 14.862 4.688 ( -7.928 1.230 18.821) 20.460 4.961 ( -7.420 -1.296 -2.098) 7.819 5.059 ( -7.107 -7.074 3.061) 10.485 5.173 ( -18.774 -2.861 -9.628) 21.292 5.343 ( -13.544 17.451 2.439) 22.225 5.403 ( -13.692 2.033 1.664) 13.942 5.825 ( -8.493 14.046 5.765) 17.397 6.231 ( -5.194 4.263 -26.243) 27.090 7.445 ( -7.923 4.593 6.470) 11.213 7.561 ( -7.296 3.435 -5.066) 9.523 7.741 ( -9.855 -11.660 8.701) 17.572 7.882 ( -9.311 -12.417 -5.318) 16.406 8.665 ( -1.266 -6.972 15.433) 16.982 8.880 ( -1.555 -6.353 -6.545) 9.253 9.324 ( 6.303 -7.656 3.341) 10.464 9.436 ( 5.883 -9.750 -8.001) 13.917 10.729 ( 9.086 -2.430 32.967) 34.282 11.084 ( 8.336 4.871 4.036) 10.464 11.809 ( 7.992 1.859 -11.089) 13.795 12.009 ( 4.267 4.131 -23.870) 24.598 13.731 ( 1.001 10.649 11.771) 15.905 13.946 ( 4.364 3.082 -6.878) 8.709 14.138 ( -9.292 -6.152 7.215) 13.276 14.156 ( 6.745 -3.554 1.578) 7.785 14.335 ( 8.649 12.069 10.027) 17.917 14.620 ( 2.458 7.946 -16.091) 18.113 15.282 ( 3.515 -13.066 6.346) 14.945 15.394 ( 2.928 -12.649 -5.483) 14.093 16.206 ( 10.182 -0.537 3.519) 10.786 16.358 ( 14.314 -1.648 -13.216) 19.552 16.725 ( -22.215 0.352 21.379) 30.833 17.111 ( -10.882 2.399 -17.195) 20.490 17.852 ( 34.247 -6.639 6.503) 35.486 18.007 ( 40.132 -4.209 -8.027) 41.143 19.576 ( -42.116 1.559 15.230) 44.812 19.813 ( -41.577 3.293 -7.183) 42.322 20.048 ( -28.941 -5.281 7.911) 30.464 20.246 ( -19.266 -2.667 -9.763) 21.763 21.863 ( -3.816 -0.623 17.616) 18.036 22.233 ( -2.165 -0.257 -20.420) 20.536 ======================= Grid point 412 (141/147) ======================= q-point: (-0.31 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( -0.000 9.319 31.635) 32.979 2.617 ( -0.000 7.048 -31.082) 31.871 2.895 ( -0.000 17.774 32.413) 36.966 3.389 ( -0.000 15.983 -19.602) 25.292 4.093 ( 0.000 -0.080 8.579) 8.580 4.226 ( -0.000 8.654 6.934) 11.089 4.239 ( -0.000 0.658 -4.643) 4.690 4.415 ( 0.000 -10.951 -11.120) 15.607 4.618 ( 0.000 -1.740 12.309) 12.431 4.745 ( -0.000 35.961 18.878) 40.615 4.872 ( -0.000 0.432 -12.214) 12.222 5.146 ( 0.000 -16.980 6.381) 18.139 5.185 ( -0.000 11.224 -20.928) 23.748 5.270 ( 0.000 -16.796 -6.807) 18.123 5.671 ( -0.000 6.348 17.769) 18.868 6.172 ( 0.000 -0.889 -28.460) 28.473 7.313 ( -0.000 7.556 7.211) 10.445 7.442 ( -0.000 7.449 -6.027) 9.582 7.746 ( 0.000 -12.981 10.455) 16.667 7.870 ( 0.000 -8.310 -1.187) 8.395 8.730 ( 0.000 -10.444 11.819) 15.772 8.916 ( 0.000 -5.936 -6.608) 8.883 9.444 ( 0.000 -8.350 4.116) 9.310 9.569 ( 0.000 -10.348 -8.432) 13.349 10.884 ( 0.000 -6.291 35.493) 36.046 11.124 ( -0.000 7.260 12.815) 14.729 11.851 ( -0.000 7.107 -10.292) 12.508 12.122 ( 0.000 -9.961 -31.219) 32.770 13.605 ( 0.000 -0.293 13.134) 13.137 13.898 ( 0.000 -0.240 -17.343) 17.344 14.028 ( -0.000 6.388 19.232) 20.265 14.222 ( 0.000 -1.502 3.061) 3.410 14.442 ( -0.000 4.934 2.272) 5.432 14.582 ( -0.000 8.088 -15.330) 17.333 15.463 ( 0.000 -11.615 9.915) 15.271 15.611 ( 0.000 -13.320 -4.721) 14.132 16.361 ( 0.000 -1.567 5.054) 5.292 16.379 ( 0.000 -0.111 26.299) 26.299 16.565 ( 0.000 -0.541 -16.933) 16.941 16.877 ( 0.000 -0.095 -25.649) 25.649 18.629 ( 0.000 -1.050 14.541) 14.579 18.720 ( 0.000 -0.017 12.468) 12.468 18.909 ( -0.000 0.672 -14.231) 14.246 18.924 ( 0.000 -0.032 -8.932) 8.932 19.817 ( 0.000 -4.560 16.447) 17.067 20.088 ( 0.000 -2.640 -11.523) 11.822 21.824 ( -0.000 1.549 17.615) 17.683 22.207 ( -0.000 2.167 -21.827) 21.935 ======================= Grid point 421 (142/147) ======================= q-point: (-0.62 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.204 ( -22.092 0.000 4.011) 22.454 3.352 ( -18.099 0.000 -11.464) 21.425 3.885 ( -9.314 0.000 8.245) 12.439 4.038 ( -2.479 0.000 -7.573) 7.969 4.162 ( -7.043 0.000 9.728) 12.010 4.286 ( -11.989 0.000 -6.060) 13.433 4.429 ( -12.599 0.000 15.265) 19.793 4.620 ( -6.428 0.000 2.888) 7.047 4.974 ( -6.342 0.000 -8.202) 10.368 4.980 ( -11.234 0.000 -12.856) 17.073 5.606 ( -5.934 0.000 25.159) 25.849 5.863 ( -22.487 0.000 20.598) 30.495 6.029 ( -7.340 0.000 -17.046) 18.559 6.233 ( -25.218 0.000 -17.625) 30.767 6.930 ( -18.416 0.000 5.542) 19.231 7.075 ( -17.244 0.000 -10.627) 20.255 7.691 ( -18.919 0.000 4.212) 19.383 7.784 ( -21.221 0.000 -5.229) 21.855 8.292 ( -8.014 0.000 -1.181) 8.100 8.308 ( -10.367 0.000 -2.815) 10.742 8.879 ( -1.833 0.000 10.766) 10.921 9.009 ( -15.369 0.000 1.383) 15.431 9.101 ( -14.978 0.000 1.564) 15.060 9.146 ( -9.955 0.000 -7.767) 12.626 10.626 ( -2.855 0.000 11.662) 12.007 10.808 ( 4.512 -0.000 -4.350) 6.267 11.573 ( 6.432 -0.000 21.660) 22.595 12.080 ( 1.332 -0.000 -28.337) 28.369 12.887 ( 27.942 -0.000 5.752) 28.528 13.030 ( 28.965 -0.000 -9.732) 30.557 13.618 ( 17.644 -0.000 15.694) 23.613 13.865 ( 19.629 -0.000 -8.844) 21.529 14.413 ( 6.407 -0.000 0.351) 6.417 14.433 ( 6.553 -0.000 0.968) 6.624 15.153 ( 31.996 -0.000 8.156) 33.019 15.392 ( 27.045 -0.000 -14.453) 30.665 16.180 ( -31.660 0.000 4.735) 32.012 16.291 ( -15.324 0.000 -4.839) 16.070 16.483 ( 18.360 -0.000 2.218) 18.493 16.508 ( 7.491 -0.000 -2.075) 7.773 17.518 ( -8.532 0.000 11.618) 14.415 17.711 ( -4.219 0.000 -8.678) 9.649 20.905 ( -27.848 0.000 10.712) 29.837 21.111 ( -25.342 0.000 -10.714) 27.514 21.436 ( -37.393 0.000 3.832) 37.589 21.510 ( -33.809 0.000 -3.546) 33.995 22.201 ( -18.090 0.000 13.040) 22.300 22.448 ( -12.850 0.000 -12.330) 17.809 ======================= Grid point 423 (143/147) ======================= q-point: (-0.54 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( -22.996 3.004 9.968) 25.242 3.017 ( -14.761 2.420 -17.404) 22.949 3.632 ( -13.767 4.923 15.838) 21.555 3.878 ( -8.538 9.399 -9.674) 15.963 4.100 ( -4.596 -6.336 12.005) 14.331 4.160 ( -2.836 -1.010 4.620) 5.514 4.273 ( -3.399 -4.702 0.560) 5.829 4.495 ( -5.860 2.054 -7.431) 9.684 4.791 ( -8.317 -1.657 -4.037) 9.392 4.872 ( -5.400 -4.487 -7.324) 10.146 5.293 ( -25.116 -2.659 16.539) 30.189 5.550 ( -12.950 3.535 13.988) 19.388 5.654 ( -26.822 -5.109 -9.394) 28.875 5.908 ( -11.981 0.477 -12.389) 17.242 6.531 ( -15.202 19.198 7.479) 25.605 6.719 ( -13.575 13.855 -11.995) 22.806 7.468 ( -8.212 -7.554 0.383) 11.165 7.519 ( -11.912 -14.824 -4.681) 19.585 7.970 ( -20.976 0.462 3.666) 21.298 8.037 ( -17.086 0.075 -3.314) 17.404 8.728 ( -10.938 0.737 10.275) 15.025 8.834 ( -6.949 -4.227 -0.151) 8.135 9.055 ( 8.170 -2.055 2.093) 8.681 9.155 ( 6.238 -2.990 -7.878) 10.484 10.615 ( 2.406 0.644 20.611) 20.761 10.943 ( 9.556 0.543 -7.787) 12.339 11.691 ( 6.271 0.740 11.315) 12.957 12.093 ( 1.421 3.261 -25.122) 25.372 13.497 ( 33.888 1.161 7.932) 34.823 13.623 ( 29.700 1.421 -5.906) 30.315 13.903 ( 11.028 -1.802 13.923) 17.853 14.142 ( 6.767 -0.677 -10.014) 12.105 14.505 ( 4.771 4.829 3.536) 7.654 14.593 ( 11.194 1.825 -3.767) 11.951 15.344 ( -27.534 -0.191 13.698) 30.754 15.591 ( -30.166 4.165 -12.718) 33.001 15.902 ( 17.014 -1.998 -3.429) 17.471 15.928 ( 20.094 -6.378 -6.414) 22.036 16.918 ( 24.305 0.471 6.967) 25.288 16.993 ( 23.432 -0.237 -0.045) 23.433 17.320 ( -4.889 -2.895 12.457) 13.692 17.590 ( -8.581 -2.232 -14.504) 16.999 20.298 ( -33.449 0.690 14.581) 36.495 20.553 ( -30.352 0.717 -11.636) 32.514 20.673 ( -42.096 -0.981 7.276) 42.731 20.816 ( -39.036 -0.285 -7.153) 39.687 21.948 ( -9.032 -1.126 16.567) 18.902 22.277 ( -5.618 -0.975 -17.118) 18.043 ======================= Grid point 424 (144/147) ======================= q-point: (-0.46 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( -15.676 5.234 21.655) 27.240 2.792 ( -6.066 4.101 -25.395) 26.429 3.325 ( -12.114 8.376 25.127) 29.125 3.676 ( -5.376 7.853 -12.089) 15.385 4.086 ( 0.706 -6.262 8.491) 10.574 4.144 ( -1.064 0.472 7.485) 7.575 4.293 ( -0.506 -3.363 -7.914) 8.613 4.377 ( -2.825 5.212 -18.007) 18.957 4.688 ( -5.932 -0.371 16.928) 17.941 4.854 ( -1.193 -7.911 -1.376) 8.118 4.937 ( -11.235 -7.931 2.588) 13.994 5.120 ( -19.846 -1.716 -15.239) 25.080 5.375 ( -13.553 -2.777 16.648) 21.646 5.625 ( -13.677 8.540 -9.882) 18.912 6.133 ( -7.594 26.925 9.738) 29.622 6.405 ( -6.439 17.358 -16.571) 24.847 7.434 ( -2.441 -6.918 1.547) 7.497 7.499 ( -2.974 -14.866 -4.714) 15.877 7.622 ( -14.181 -3.206 5.767) 15.641 7.734 ( -13.910 -3.375 -5.571) 15.359 8.597 ( -3.675 -2.358 15.114) 15.732 8.782 ( -2.427 -6.255 -4.009) 7.816 9.237 ( 6.788 -4.022 1.669) 8.064 9.324 ( 6.439 -5.426 -7.196) 11.076 10.712 ( 7.246 -0.265 30.878) 31.718 11.134 ( 9.836 2.135 -2.263) 10.316 11.811 ( 6.679 -0.378 -4.758) 8.210 12.088 ( 1.211 4.845 -23.243) 23.773 13.856 ( -10.142 6.233 6.951) 13.785 13.973 ( 1.794 0.761 -0.764) 2.093 14.072 ( -1.285 -2.640 6.126) 6.793 14.101 ( 10.423 -3.243 0.329) 10.921 14.525 ( 7.505 12.936 10.467) 18.255 14.773 ( 5.493 12.492 -13.181) 18.972 15.082 ( -0.652 -13.401 2.417) 13.633 15.194 ( -0.436 -14.595 -7.570) 16.447 16.205 ( 10.798 0.173 3.926) 11.491 16.341 ( 17.004 -0.756 -11.850) 20.740 16.741 ( -24.464 1.368 22.450) 33.232 17.145 ( -13.538 2.025 -17.753) 22.417 17.769 ( 37.885 -4.388 7.463) 38.862 17.953 ( 46.247 -2.874 -9.627) 47.326 19.598 ( -43.383 1.218 15.807) 46.189 19.855 ( -43.201 2.442 -8.764) 44.149 19.982 ( -27.907 -3.642 11.129) 30.264 20.218 ( -18.220 -1.252 -10.344) 20.989 21.846 ( -3.264 -1.245 18.234) 18.566 22.225 ( -1.219 -0.672 -20.453) 20.501 ======================= Grid point 425 (145/147) ======================= q-point: (-0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -0.000 6.827 29.763) 30.536 2.708 ( -0.000 5.291 -29.955) 30.419 3.118 ( -0.000 12.558 29.914) 32.443 3.565 ( -0.000 8.699 -16.233) 18.417 4.107 ( -0.000 1.923 7.619) 7.858 4.206 ( 0.000 -9.821 1.407) 9.921 4.254 ( -0.000 1.217 -6.678) 6.788 4.333 ( -0.000 2.991 -10.631) 11.044 4.596 ( 0.000 -1.292 15.841) 15.893 4.860 ( 0.000 -3.515 -8.069) 8.801 4.936 ( 0.000 -10.284 3.379) 10.825 5.055 ( 0.000 -11.940 -8.483) 14.647 5.168 ( -0.000 8.684 12.258) 15.022 5.360 ( -0.000 17.960 -5.718) 18.848 5.880 ( -0.000 22.116 9.777) 24.181 6.238 ( -0.000 11.764 -21.774) 24.749 7.403 ( -0.000 4.711 7.096) 8.518 7.530 ( -0.000 4.646 -6.003) 7.591 7.552 ( 0.000 -13.409 5.629) 14.543 7.670 ( 0.000 -19.295 -6.217) 20.272 8.601 ( 0.000 -6.468 16.443) 17.669 8.814 ( 0.000 -7.530 -5.649) 9.414 9.340 ( 0.000 -5.647 2.260) 6.083 9.436 ( 0.000 -7.433 -7.573) 10.612 10.819 ( 0.000 -2.616 36.588) 36.682 11.214 ( -0.000 4.689 6.745) 8.215 11.904 ( 0.000 -0.711 -16.171) 16.187 12.074 ( -0.000 2.882 -23.687) 23.861 13.602 ( 0.000 -0.208 13.167) 13.169 13.895 ( 0.000 -0.171 -17.379) 17.380 14.095 ( -0.000 3.100 10.798) 11.234 14.195 ( 0.000 -2.029 2.195) 2.989 14.564 ( -0.000 11.342 7.078) 13.369 14.722 ( -0.000 10.316 -9.933) 14.321 15.261 ( 0.000 -15.325 6.838) 16.781 15.418 ( 0.000 -12.554 -6.345) 14.067 16.353 ( -0.000 0.138 6.401) 6.402 16.378 ( 0.000 -0.079 26.314) 26.314 16.567 ( -0.000 0.433 -17.215) 17.220 16.876 ( 0.000 -0.067 -25.655) 25.655 18.612 ( 0.000 -1.204 15.287) 15.335 18.720 ( 0.000 -0.012 12.456) 12.456 18.913 ( 0.000 -0.077 -15.284) 15.284 18.924 ( 0.000 -0.023 -8.924) 8.924 19.762 ( 0.000 -2.966 19.427) 19.652 20.063 ( 0.000 -1.016 -11.890) 11.933 21.824 ( 0.000 -0.921 18.584) 18.607 22.218 ( 0.000 -0.086 -21.690) 21.690 ======================= Grid point 436 (146/147) ======================= q-point: (-0.54 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( -15.912 0.000 21.221) 26.524 2.822 ( -6.268 0.000 -25.036) 25.809 3.386 ( -11.899 0.000 24.064) 26.846 3.741 ( -7.302 0.000 -15.102) 16.775 4.028 ( 0.872 -0.000 14.854) 14.879 4.156 ( -0.412 0.000 5.423) 5.439 4.263 ( 1.701 -0.000 -5.274) 5.542 4.422 ( -3.040 0.000 -21.922) 22.131 4.684 ( -3.630 0.000 13.270) 13.758 4.796 ( -1.192 0.000 -1.412) 1.848 4.868 ( -13.264 0.000 4.756) 14.091 5.111 ( -21.061 0.000 -16.201) 26.571 5.351 ( -12.547 0.000 19.741) 23.391 5.664 ( -12.883 0.000 -12.467) 17.928 6.385 ( -7.852 0.000 10.019) 12.730 6.586 ( -6.307 0.000 -10.503) 12.251 7.307 ( -3.642 0.000 -0.977) 3.770 7.357 ( -1.561 0.000 -6.185) 6.379 7.613 ( -14.833 0.000 6.133) 16.051 7.724 ( -13.635 0.000 -5.343) 14.645 8.585 ( -4.544 0.000 12.678) 13.468 8.729 ( -2.617 0.000 -1.855) 3.207 9.208 ( 6.954 -0.000 1.066) 7.035 9.284 ( 6.621 -0.000 -6.869) 9.540 10.712 ( 6.674 -0.000 29.863) 30.600 11.149 ( 10.320 -0.000 -4.657) 11.322 11.808 ( 5.817 -0.000 -1.128) 5.926 12.125 ( 0.811 -0.000 -23.792) 23.806 13.903 ( -19.664 0.000 5.319) 20.371 13.976 ( 1.574 -0.000 1.569) 2.222 14.059 ( 5.350 -0.000 4.416) 6.938 14.072 ( 12.981 -0.000 0.679) 12.998 14.649 ( 10.542 -0.000 14.331) 17.791 14.934 ( 9.170 -0.000 -9.914) 13.504 14.972 ( 8.774 -0.000 -5.857) 10.550 15.001 ( -18.339 0.000 -7.058) 19.651 16.207 ( 10.716 -0.000 4.066) 11.461 16.335 ( 18.078 -0.000 -11.309) 21.324 16.753 ( -25.868 0.000 22.642) 34.377 17.161 ( -15.069 0.000 -17.847) 23.357 17.735 ( 39.663 -0.000 7.902) 40.442 17.931 ( 48.921 -0.000 -10.241) 49.982 19.607 ( -44.044 0.000 15.837) 46.805 19.877 ( -46.026 0.000 -12.638) 47.730 19.951 ( -25.302 0.000 15.715) 29.785 20.209 ( -17.748 0.000 -10.597) 20.671 21.836 ( -3.087 0.000 18.543) 18.798 22.219 ( -0.946 0.000 -20.581) 20.603 ======================= Grid point 438 (147/147) ======================= q-point: (-0.46 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -0.000 2.521 28.779) 28.890 2.763 ( -0.000 1.970 -29.291) 29.357 3.245 ( -0.000 4.536 27.437) 27.809 3.653 ( -0.000 3.457 -15.810) 16.184 4.085 ( 0.000 -5.097 8.516) 9.925 4.139 ( -0.000 1.816 6.273) 6.531 4.267 ( -0.000 0.430 -6.906) 6.919 4.387 ( -0.000 2.681 -21.260) 21.428 4.582 ( 0.000 -0.504 18.064) 18.071 4.771 ( 0.000 -4.702 2.257) 5.215 4.857 ( 0.000 -3.202 -2.408) 4.007 4.953 ( 0.000 -2.410 -13.719) 13.929 5.185 ( 0.000 -0.795 19.408) 19.424 5.503 ( -0.000 2.280 -13.740) 13.928 6.238 ( -0.000 18.949 11.256) 22.040 6.465 ( -0.000 14.834 -11.849) 18.986 7.357 ( 0.000 -17.780 -1.847) 17.876 7.387 ( 0.000 -8.412 -5.076) 9.825 7.449 ( -0.000 1.597 7.040) 7.219 7.575 ( -0.000 1.575 -5.989) 6.192 8.548 ( 0.000 -1.297 14.611) 14.668 8.722 ( 0.000 -4.084 -3.166) 5.167 9.285 ( 0.000 -1.884 1.114) 2.189 9.362 ( 0.000 -2.629 -6.986) 7.465 10.799 ( 0.000 -0.499 35.266) 35.269 11.258 ( -0.000 1.457 2.080) 2.539 11.884 ( 0.000 -0.960 -11.881) 11.920 12.125 ( -0.000 2.323 -23.273) 23.389 13.599 ( 0.000 -0.075 13.186) 13.187 13.893 ( 0.000 -0.062 -17.399) 17.399 14.127 ( -0.000 1.428 6.228) 6.389 14.169 ( 0.000 -1.316 2.585) 2.900 14.735 ( -0.000 9.989 9.080) 13.499 14.865 ( -0.000 9.287 -4.274) 10.224 15.039 ( 0.000 -14.457 5.651) 15.522 15.269 ( 0.000 -6.613 -10.842) 12.700 16.357 ( -0.000 0.261 7.032) 7.037 16.377 ( 0.000 -0.028 26.322) 26.322 16.572 ( -0.000 0.193 -17.110) 17.111 16.875 ( 0.000 -0.024 -25.658) 25.658 18.598 ( 0.000 -0.573 15.649) 15.659 18.720 ( 0.000 -0.004 12.449) 12.449 18.911 ( 0.000 -0.122 -16.090) 16.091 18.924 ( 0.000 -0.008 -8.919) 8.919 19.732 ( 0.000 -1.024 21.403) 21.427 20.054 ( 0.000 -0.289 -12.282) 12.285 21.811 ( 0.000 -0.633 19.270) 19.280 22.214 ( 0.000 -0.232 -21.887) 21.888 =================== 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 3/40560 10.0 582.543 5497.393 720.512 0.000 0.000 -0.000 3/40560 20.0 870.247 1248.124 948.401 0.000 0.000 -0.000 3/40560 30.0 482.020 524.140 494.545 0.000 0.000 -0.000 3/40560 40.0 286.302 274.303 286.309 0.000 0.000 -0.000 3/40560 50.0 186.522 169.548 188.183 0.000 0.000 -0.000 3/40560 60.0 131.315 116.997 134.267 0.000 0.000 -0.000 3/40560 70.0 98.389 87.053 101.638 0.000 0.000 -0.000 3/40560 80.0 77.387 68.320 80.468 0.000 0.000 -0.000 3/40560 90.0 63.187 55.735 65.949 0.000 0.000 -0.000 3/40560 100.0 53.104 46.805 55.529 0.000 0.000 -0.000 3/40560 110.0 45.649 40.190 47.766 0.000 0.000 -0.000 3/40560 120.0 39.954 35.121 41.803 0.000 0.000 -0.000 3/40560 130.0 35.483 31.130 37.103 0.000 0.000 -0.000 3/40560 140.0 31.894 27.916 33.318 0.000 0.000 -0.000 3/40560 150.0 28.957 25.279 30.212 0.000 0.000 -0.000 3/40560 160.0 26.516 23.082 27.625 0.000 0.000 -0.000 3/40560 170.0 24.458 21.227 25.439 0.000 0.000 -0.000 3/40560 180.0 22.702 19.641 23.570 0.000 0.000 -0.000 3/40560 190.0 21.187 18.272 21.957 0.000 0.000 -0.000 3/40560 200.0 19.868 17.079 20.550 0.000 0.000 -0.000 3/40560 210.0 18.710 16.032 19.313 0.000 0.000 -0.000 3/40560 220.0 17.685 15.105 18.218 0.000 0.000 -0.000 3/40560 230.0 16.772 14.280 17.243 0.000 0.000 -0.000 3/40560 240.0 15.953 13.541 16.368 0.000 0.000 -0.000 3/40560 250.0 15.215 12.875 15.579 0.000 0.000 -0.000 3/40560 260.0 14.545 12.273 14.864 0.000 0.000 -0.000 3/40560 270.0 13.935 11.725 14.213 0.000 0.000 -0.000 3/40560 280.0 13.377 11.225 13.618 0.000 0.000 -0.000 3/40560 290.0 12.864 10.766 13.072 0.000 0.000 -0.000 3/40560 300.0 12.391 10.345 12.569 0.000 0.000 -0.000 3/40560 310.0 11.953 9.955 12.105 0.000 0.000 -0.000 3/40560 320.0 11.547 9.595 11.675 0.000 0.000 -0.000 3/40560 330.0 11.169 9.260 11.275 0.000 0.000 -0.000 3/40560 340.0 10.816 8.949 10.902 0.000 0.000 -0.000 3/40560 350.0 10.486 8.658 10.554 0.000 0.000 -0.000 3/40560 360.0 10.176 8.387 10.228 0.000 0.000 -0.000 3/40560 370.0 9.885 8.132 9.922 0.000 0.000 -0.000 3/40560 380.0 9.610 7.892 9.634 0.000 0.000 -0.000 3/40560 390.0 9.352 7.667 9.363 0.000 0.000 -0.000 3/40560 400.0 9.107 7.454 9.107 0.000 0.000 -0.000 3/40560 410.0 8.875 7.253 8.865 0.000 0.000 -0.000 3/40560 420.0 8.655 7.064 8.636 0.000 0.000 -0.000 3/40560 430.0 8.446 6.884 8.419 0.000 0.000 -0.000 3/40560 440.0 8.247 6.713 8.213 0.000 0.000 -0.000 3/40560 450.0 8.057 6.550 8.017 0.000 0.000 -0.000 3/40560 460.0 7.877 6.396 7.830 0.000 0.000 -0.000 3/40560 470.0 7.704 6.249 7.652 0.000 0.000 -0.000 3/40560 480.0 7.539 6.108 7.482 0.000 0.000 -0.000 3/40560 490.0 7.381 5.974 7.320 0.000 0.000 -0.000 3/40560 500.0 7.230 5.846 7.165 0.000 0.000 -0.000 3/40560 510.0 7.085 5.723 7.016 0.000 0.000 -0.000 3/40560 520.0 6.946 5.606 6.873 0.000 0.000 -0.000 3/40560 530.0 6.812 5.493 6.737 0.000 0.000 -0.000 3/40560 540.0 6.684 5.385 6.606 0.000 0.000 -0.000 3/40560 550.0 6.560 5.281 6.479 0.000 0.000 -0.000 3/40560 560.0 6.441 5.182 6.358 0.000 0.000 -0.000 3/40560 570.0 6.326 5.085 6.241 0.000 0.000 -0.000 3/40560 580.0 6.215 4.993 6.129 0.000 0.000 -0.000 3/40560 590.0 6.108 4.904 6.020 0.000 0.000 -0.000 3/40560 600.0 6.005 4.818 5.916 0.000 0.000 -0.000 3/40560 610.0 5.905 4.735 5.815 0.000 0.000 -0.000 3/40560 620.0 5.809 4.655 5.717 0.000 0.000 -0.000 3/40560 630.0 5.716 4.578 5.623 0.000 0.000 -0.000 3/40560 640.0 5.626 4.503 5.532 0.000 0.000 -0.000 3/40560 650.0 5.538 4.431 5.444 0.000 0.000 -0.000 3/40560 660.0 5.453 4.361 5.359 0.000 0.000 -0.000 3/40560 670.0 5.371 4.293 5.276 0.000 0.000 -0.000 3/40560 680.0 5.291 4.227 5.196 0.000 0.000 -0.000 3/40560 690.0 5.214 4.163 5.118 0.000 0.000 -0.000 3/40560 700.0 5.139 4.102 5.043 0.000 0.000 -0.000 3/40560 710.0 5.066 4.042 4.970 0.000 0.000 -0.000 3/40560 720.0 4.995 3.984 4.898 0.000 0.000 -0.000 3/40560 730.0 4.926 3.927 4.829 0.000 0.000 -0.000 3/40560 740.0 4.859 3.872 4.762 0.000 0.000 -0.000 3/40560 750.0 4.794 3.819 4.697 0.000 0.000 -0.000 3/40560 760.0 4.731 3.767 4.634 0.000 0.000 -0.000 3/40560 770.0 4.669 3.717 4.572 0.000 0.000 -0.000 3/40560 780.0 4.609 3.668 4.512 0.000 0.000 -0.000 3/40560 790.0 4.550 3.620 4.454 0.000 0.000 -0.000 3/40560 800.0 4.493 3.573 4.397 0.000 0.000 -0.000 3/40560 810.0 4.437 3.528 4.341 0.000 0.000 -0.000 3/40560 820.0 4.383 3.484 4.287 0.000 0.000 -0.000 3/40560 830.0 4.330 3.441 4.234 0.000 0.000 -0.000 3/40560 840.0 4.278 3.399 4.183 0.000 0.000 -0.000 3/40560 850.0 4.227 3.358 4.133 0.000 0.000 -0.000 3/40560 860.0 4.178 3.318 4.084 0.000 0.000 -0.000 3/40560 870.0 4.130 3.279 4.036 0.000 0.000 -0.000 3/40560 880.0 4.083 3.240 3.989 0.000 0.000 -0.000 3/40560 890.0 4.037 3.203 3.943 0.000 0.000 -0.000 3/40560 900.0 3.992 3.167 3.899 0.000 0.000 -0.000 3/40560 910.0 3.948 3.131 3.855 0.000 0.000 -0.000 3/40560 920.0 3.905 3.096 3.812 0.000 0.000 -0.000 3/40560 930.0 3.863 3.062 3.771 0.000 0.000 -0.000 3/40560 940.0 3.821 3.029 3.730 0.000 0.000 -0.000 3/40560 950.0 3.781 2.997 3.690 0.000 0.000 -0.000 3/40560 960.0 3.742 2.965 3.651 0.000 0.000 -0.000 3/40560 970.0 3.703 2.934 3.613 0.000 0.000 -0.000 3/40560 980.0 3.665 2.903 3.575 0.000 0.000 -0.000 3/40560 990.0 3.628 2.873 3.539 0.000 0.000 -0.000 3/40560 1000.0 3.592 2.844 3.503 0.000 0.000 -0.000 3/40560 Thermal conductivity related properties were written into "kappa-m13135.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:52:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|