----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:34:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.263395090000000 3.434811300000000 3.285495925000000 b 3.263395090000000 -3.434811300000000 3.285495925000000 c 3.263395090000000 3.434811300000000 -3.285495925000000 Atomic positions (fractional): *1 O 0.71610536487724 0.19029272343118 0.52581264144606 15.999 2 O 0.28389463512276 0.80970727656882 0.47418735855394 15.999 3 O 0.16448008198513 0.19029272343118 0.97418735855394 15.999 4 O 0.83551991801487 0.80970727656882 0.02581264144606 15.999 *5 O 0.71541927341915 0.66405588309105 0.44863660967190 15.999 6 O 0.28458072658085 0.73321733625274 0.94863660967190 15.999 7 O 0.71541927341915 0.26678266374726 0.05136339032810 15.999 8 O 0.28458072658085 0.33594411690895 0.55136339032810 15.999 *9 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 10 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 *11 U 0.71385899304730 0.96385899304730 0.75000000000000 238.029 12 U 0.28614100695270 0.03614100695270 0.25000000000000 238.029 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.526790180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.869622600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.570991850000000 Atomic positions (fractional): *1 O 0.50000000000000 0.02581264144606 0.69029272343118 15.999 > 1 2 O 0.00000000000000 0.47418735855394 0.80970727656882 15.999 > 2 3 O 0.50000000000000 0.47418735855394 0.69029272343118 15.999 > 3 4 O 0.00000000000000 0.02581264144606 0.80970727656882 15.999 > 4 *5 O 0.19863660967190 0.25000000000000 0.46541927341915 15.999 > 5 6 O 0.69863660967190 0.25000000000000 0.03458072658085 15.999 > 6 7 O 0.80136339032810 0.25000000000000 0.46541927341915 15.999 > 7 8 O 0.30136339032810 0.25000000000000 0.03458072658085 15.999 > 8 9 O 0.00000000000000 0.52581264144606 0.19029272343118 15.999 > 1 10 O 0.50000000000000 0.97418735855394 0.30970727656882 15.999 > 2 11 O 0.00000000000000 0.97418735855394 0.19029272343118 15.999 > 3 12 O 0.50000000000000 0.52581264144606 0.30970727656882 15.999 > 4 13 O 0.69863660967190 0.75000000000000 0.96541927341915 15.999 > 5 14 O 0.19863660967190 0.75000000000000 0.53458072658085 15.999 > 6 15 O 0.30136339032810 0.75000000000000 0.96541927341915 15.999 > 7 16 O 0.80136339032810 0.75000000000000 0.53458072658085 15.999 > 8 *17 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 9 18 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 10 19 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 9 20 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 10 *21 U 0.00000000000000 0.75000000000000 0.96385899304730 238.029 > 11 22 U 0.50000000000000 0.75000000000000 0.53614100695270 238.029 > 12 23 U 0.50000000000000 0.25000000000000 0.46385899304730 238.029 > 11 24 U 0.00000000000000 0.25000000000000 0.03614100695270 238.029 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.053580360000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.869622600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.141983700000001 Atomic positions (fractional): *1 O 0.25000000000000 0.02581264144606 0.34514636171559 15.999 > 1 2 O 0.75000000000000 0.02581264144606 0.34514636171559 15.999 > 1 3 O 0.25000000000000 0.02581264144606 0.84514636171559 15.999 > 1 4 O 0.75000000000000 0.02581264144606 0.84514636171559 15.999 > 1 5 O 0.00000000000000 0.47418735855394 0.40485363828441 15.999 > 2 6 O 0.50000000000000 0.47418735855394 0.40485363828441 15.999 > 2 7 O 0.00000000000000 0.47418735855394 0.90485363828441 15.999 > 2 8 O 0.50000000000000 0.47418735855394 0.90485363828441 15.999 > 2 9 O 0.25000000000000 0.47418735855394 0.34514636171559 15.999 > 3 10 O 0.75000000000000 0.47418735855394 0.34514636171559 15.999 > 3 11 O 0.25000000000000 0.47418735855394 0.84514636171559 15.999 > 3 12 O 0.75000000000000 0.47418735855394 0.84514636171559 15.999 > 3 13 O 0.00000000000000 0.02581264144606 0.40485363828441 15.999 > 4 14 O 0.50000000000000 0.02581264144606 0.40485363828441 15.999 > 4 15 O 0.00000000000000 0.02581264144606 0.90485363828441 15.999 > 4 16 O 0.50000000000000 0.02581264144606 0.90485363828441 15.999 > 4 *17 O 0.09931830483595 0.25000000000000 0.23270963670958 15.999 > 5 18 O 0.59931830483595 0.25000000000000 0.23270963670958 15.999 > 5 19 O 0.09931830483595 0.25000000000000 0.73270963670958 15.999 > 5 20 O 0.59931830483595 0.25000000000000 0.73270963670958 15.999 > 5 21 O 0.34931830483595 0.25000000000000 0.01729036329042 15.999 > 6 22 O 0.84931830483595 0.25000000000000 0.01729036329042 15.999 > 6 23 O 0.34931830483595 0.25000000000000 0.51729036329042 15.999 > 6 24 O 0.84931830483595 0.25000000000000 0.51729036329042 15.999 > 6 25 O 0.40068169516405 0.25000000000000 0.23270963670958 15.999 > 7 26 O 0.90068169516405 0.25000000000000 0.23270963670958 15.999 > 7 27 O 0.40068169516405 0.25000000000000 0.73270963670958 15.999 > 7 28 O 0.90068169516405 0.25000000000000 0.73270963670958 15.999 > 7 29 O 0.15068169516405 0.25000000000000 0.01729036329042 15.999 > 8 30 O 0.65068169516405 0.25000000000000 0.01729036329042 15.999 > 8 31 O 0.15068169516405 0.25000000000000 0.51729036329042 15.999 > 8 32 O 0.65068169516405 0.25000000000000 0.51729036329042 15.999 > 8 33 O 0.00000000000000 0.52581264144606 0.09514636171559 15.999 > 1 34 O 0.50000000000000 0.52581264144606 0.09514636171559 15.999 > 1 35 O 0.00000000000000 0.52581264144606 0.59514636171559 15.999 > 1 36 O 0.50000000000000 0.52581264144606 0.59514636171559 15.999 > 1 37 O 0.25000000000000 0.97418735855394 0.15485363828441 15.999 > 2 38 O 0.75000000000000 0.97418735855394 0.15485363828441 15.999 > 2 39 O 0.25000000000000 0.97418735855394 0.65485363828441 15.999 > 2 40 O 0.75000000000000 0.97418735855394 0.65485363828441 15.999 > 2 41 O 0.00000000000000 0.97418735855394 0.09514636171559 15.999 > 3 42 O 0.50000000000000 0.97418735855394 0.09514636171559 15.999 > 3 43 O 0.00000000000000 0.97418735855394 0.59514636171559 15.999 > 3 44 O 0.50000000000000 0.97418735855394 0.59514636171559 15.999 > 3 45 O 0.25000000000000 0.52581264144606 0.15485363828441 15.999 > 4 46 O 0.75000000000000 0.52581264144606 0.15485363828441 15.999 > 4 47 O 0.25000000000000 0.52581264144606 0.65485363828441 15.999 > 4 48 O 0.75000000000000 0.52581264144606 0.65485363828441 15.999 > 4 49 O 0.34931830483595 0.75000000000000 0.48270963670958 15.999 > 5 50 O 0.84931830483595 0.75000000000000 0.48270963670958 15.999 > 5 51 O 0.34931830483595 0.75000000000000 0.98270963670958 15.999 > 5 52 O 0.84931830483595 0.75000000000000 0.98270963670958 15.999 > 5 53 O 0.09931830483595 0.75000000000000 0.26729036329042 15.999 > 6 54 O 0.59931830483595 0.75000000000000 0.26729036329042 15.999 > 6 55 O 0.09931830483595 0.75000000000000 0.76729036329042 15.999 > 6 56 O 0.59931830483595 0.75000000000000 0.76729036329042 15.999 > 6 57 O 0.15068169516405 0.75000000000000 0.48270963670958 15.999 > 7 58 O 0.65068169516405 0.75000000000000 0.48270963670958 15.999 > 7 59 O 0.15068169516405 0.75000000000000 0.98270963670958 15.999 > 7 60 O 0.65068169516405 0.75000000000000 0.98270963670958 15.999 > 7 61 O 0.40068169516405 0.75000000000000 0.26729036329042 15.999 > 8 62 O 0.90068169516405 0.75000000000000 0.26729036329042 15.999 > 8 63 O 0.40068169516405 0.75000000000000 0.76729036329042 15.999 > 8 64 O 0.90068169516405 0.75000000000000 0.76729036329042 15.999 > 8 *65 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 9 66 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 9 67 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 9 68 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 9 69 Mg 0.25000000000000 0.00000000000000 0.00000000000000 24.305 > 10 70 Mg 0.75000000000000 0.00000000000000 0.00000000000000 24.305 > 10 71 Mg 0.25000000000000 0.00000000000000 0.50000000000000 24.305 > 10 72 Mg 0.75000000000000 0.00000000000000 0.50000000000000 24.305 > 10 73 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 9 74 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 9 75 Mg 0.25000000000000 0.50000000000000 0.50000000000000 24.305 > 9 76 Mg 0.75000000000000 0.50000000000000 0.50000000000000 24.305 > 9 77 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 > 10 78 Mg 0.50000000000000 0.50000000000000 0.25000000000000 24.305 > 10 79 Mg 0.00000000000000 0.50000000000000 0.75000000000000 24.305 > 10 80 Mg 0.50000000000000 0.50000000000000 0.75000000000000 24.305 > 10 *81 U 0.00000000000000 0.75000000000000 0.48192949652365 238.029 > 11 82 U 0.50000000000000 0.75000000000000 0.48192949652365 238.029 > 11 83 U 0.00000000000000 0.75000000000000 0.98192949652365 238.029 > 11 84 U 0.50000000000000 0.75000000000000 0.98192949652365 238.029 > 11 85 U 0.25000000000000 0.75000000000000 0.26807050347635 238.029 > 12 86 U 0.75000000000000 0.75000000000000 0.26807050347635 238.029 > 12 87 U 0.25000000000000 0.75000000000000 0.76807050347635 238.029 > 12 88 U 0.75000000000000 0.75000000000000 0.76807050347635 238.029 > 12 89 U 0.25000000000000 0.25000000000000 0.23192949652365 238.029 > 11 90 U 0.75000000000000 0.25000000000000 0.23192949652365 238.029 > 11 91 U 0.25000000000000 0.25000000000000 0.73192949652365 238.029 > 11 92 U 0.75000000000000 0.25000000000000 0.73192949652365 238.029 > 11 93 U 0.00000000000000 0.25000000000000 0.01807050347635 238.029 > 12 94 U 0.50000000000000 0.25000000000000 0.01807050347635 238.029 > 12 95 U 0.00000000000000 0.25000000000000 0.51807050347635 238.029 > 12 96 U 0.50000000000000 0.25000000000000 0.51807050347635 238.029 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1285590 0.0000000 0.0000000 0.0000000 6.4491769 0.0000000 0.0000000 0.0000000 3.8695015 -------------------------- Born effective charges -------------------------- 1 O -0.8359347 0.0000000 0.0000000 0.0000000 -4.0942546 0.3773730 0.0000000 0.4503657 -1.9881675 2 O -0.8359347 0.0000000 0.0000000 0.0000000 -4.0942546 0.3773730 0.0000000 0.4503657 -1.9881675 3 O -0.8359347 0.0000000 0.0000000 0.0000000 -4.0942546 -0.3773730 0.0000000 -0.4503657 -1.9881675 4 O -0.8359347 0.0000000 0.0000000 0.0000000 -4.0942546 -0.3773730 0.0000000 -0.4503657 -1.9881675 5 O -3.8047351 0.0000000 -0.2286647 0.0000000 -1.2732196 0.0000000 -0.4138296 0.0000000 -1.1884098 6 O -3.8047351 0.0000000 0.2286647 0.0000000 -1.2732196 0.0000000 0.4138296 0.0000000 -1.1884098 7 O -3.8047351 0.0000000 0.2286647 0.0000000 -1.2732196 0.0000000 0.4138296 0.0000000 -1.1884098 8 O -3.8047351 0.0000000 -0.2286647 0.0000000 -1.2732196 0.0000000 -0.4138296 0.0000000 -1.1884098 9 Mg 2.9531913 0.0000000 0.0000000 0.0000000 2.0990778 -0.1287379 0.0000000 -0.0205603 2.6831485 10 Mg 2.9531913 0.0000000 0.0000000 0.0000000 2.0990778 0.1287379 0.0000000 0.0205603 2.6831485 11 U 6.3281483 0.0000000 0.0000000 0.0000000 8.6358707 0.0000000 0.0000000 0.0000000 3.6700061 12 U 6.3281483 0.0000000 0.0000000 0.0000000 8.6358707 0.0000000 0.0000000 0.0000000 3.6700061 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 783 Number of blocks in projector: 783 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: 146 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 142 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 139 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 139 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 139 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 78 Use standard eigh solver. Tree of FC basis block matrices: - (783, 765), data: False |-- (78, 78), data: True |-- (139, 135), data: True |-- (139, 135), data: True |-- (139, 135), data: True |-- (142, 138), data: True |-- (146, 144), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 0.634 Solver_block: 200 / 240 - Time: 0.638 Solver_block: 240 / 240 - Time: 0.308 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.598 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 783 Number of blocks in projector: 783 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: 146 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 142 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 139 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 139 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 139 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 78 Use standard eigh solver. Tree of FC basis block matrices: - (783, 765), data: False |-- (78, 78), data: True |-- (139, 135), data: True |-- (139, 135), data: True |-- (139, 135), data: True |-- (142, 138), data: True |-- (146, 144), 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 2026-01-07 22:35:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:35:02]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.263395090000000 3.434811300000000 3.285495925000000 b 3.263395090000000 -3.434811300000000 3.285495925000000 c 3.263395090000000 3.434811300000000 -3.285495925000000 Atomic positions (fractional): 1 O 0.71610536487724 0.19029272343118 0.52581264144606 15.999 2 O 0.28389463512276 0.80970727656882 0.47418735855394 15.999 3 O 0.16448008198513 0.19029272343118 0.97418735855394 15.999 4 O 0.83551991801487 0.80970727656882 0.02581264144606 15.999 5 O 0.71541927341915 0.66405588309105 0.44863660967190 15.999 6 O 0.28458072658085 0.73321733625274 0.94863660967190 15.999 7 O 0.71541927341915 0.26678266374726 0.05136339032810 15.999 8 O 0.28458072658085 0.33594411690895 0.55136339032810 15.999 9 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 10 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 11 U 0.71385899304730 0.96385899304730 0.75000000000000 238.029 12 U 0.28614100695270 0.03614100695270 0.25000000000000 238.029 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.053580360000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.869622600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.141983700000001 Atomic positions (fractional): 1 O 0.25000000000000 0.02581264144606 0.34514636171559 15.999 > 1 2 O 0.75000000000000 0.02581264144606 0.34514636171559 15.999 > 1 3 O 0.25000000000000 0.02581264144606 0.84514636171559 15.999 > 1 4 O 0.75000000000000 0.02581264144606 0.84514636171559 15.999 > 1 5 O 0.00000000000000 0.47418735855394 0.40485363828441 15.999 > 5 6 O 0.50000000000000 0.47418735855394 0.40485363828441 15.999 > 5 7 O 0.00000000000000 0.47418735855394 0.90485363828441 15.999 > 5 8 O 0.50000000000000 0.47418735855394 0.90485363828441 15.999 > 5 9 O 0.25000000000000 0.47418735855394 0.34514636171559 15.999 > 9 10 O 0.75000000000000 0.47418735855394 0.34514636171559 15.999 > 9 11 O 0.25000000000000 0.47418735855394 0.84514636171559 15.999 > 9 12 O 0.75000000000000 0.47418735855394 0.84514636171559 15.999 > 9 13 O 0.00000000000000 0.02581264144606 0.40485363828441 15.999 > 13 14 O 0.50000000000000 0.02581264144606 0.40485363828441 15.999 > 13 15 O 0.00000000000000 0.02581264144606 0.90485363828441 15.999 > 13 16 O 0.50000000000000 0.02581264144606 0.90485363828441 15.999 > 13 17 O 0.09931830483595 0.25000000000000 0.23270963670958 15.999 > 17 18 O 0.59931830483595 0.25000000000000 0.23270963670958 15.999 > 17 19 O 0.09931830483595 0.25000000000000 0.73270963670958 15.999 > 17 20 O 0.59931830483595 0.25000000000000 0.73270963670958 15.999 > 17 21 O 0.34931830483595 0.25000000000000 0.01729036329042 15.999 > 21 22 O 0.84931830483595 0.25000000000000 0.01729036329042 15.999 > 21 23 O 0.34931830483595 0.25000000000000 0.51729036329042 15.999 > 21 24 O 0.84931830483595 0.25000000000000 0.51729036329042 15.999 > 21 25 O 0.40068169516405 0.25000000000000 0.23270963670958 15.999 > 25 26 O 0.90068169516405 0.25000000000000 0.23270963670958 15.999 > 25 27 O 0.40068169516405 0.25000000000000 0.73270963670958 15.999 > 25 28 O 0.90068169516405 0.25000000000000 0.73270963670958 15.999 > 25 29 O 0.15068169516405 0.25000000000000 0.01729036329042 15.999 > 29 30 O 0.65068169516405 0.25000000000000 0.01729036329042 15.999 > 29 31 O 0.15068169516405 0.25000000000000 0.51729036329042 15.999 > 29 32 O 0.65068169516405 0.25000000000000 0.51729036329042 15.999 > 29 33 O 0.00000000000000 0.52581264144606 0.09514636171559 15.999 > 1 34 O 0.50000000000000 0.52581264144606 0.09514636171559 15.999 > 1 35 O 0.00000000000000 0.52581264144606 0.59514636171559 15.999 > 1 36 O 0.50000000000000 0.52581264144606 0.59514636171559 15.999 > 1 37 O 0.25000000000000 0.97418735855394 0.15485363828441 15.999 > 5 38 O 0.75000000000000 0.97418735855394 0.15485363828441 15.999 > 5 39 O 0.25000000000000 0.97418735855394 0.65485363828441 15.999 > 5 40 O 0.75000000000000 0.97418735855394 0.65485363828441 15.999 > 5 41 O 0.00000000000000 0.97418735855394 0.09514636171559 15.999 > 9 42 O 0.50000000000000 0.97418735855394 0.09514636171559 15.999 > 9 43 O 0.00000000000000 0.97418735855394 0.59514636171559 15.999 > 9 44 O 0.50000000000000 0.97418735855394 0.59514636171559 15.999 > 9 45 O 0.25000000000000 0.52581264144606 0.15485363828441 15.999 > 13 46 O 0.75000000000000 0.52581264144606 0.15485363828441 15.999 > 13 47 O 0.25000000000000 0.52581264144606 0.65485363828441 15.999 > 13 48 O 0.75000000000000 0.52581264144606 0.65485363828441 15.999 > 13 49 O 0.34931830483595 0.75000000000000 0.48270963670958 15.999 > 17 50 O 0.84931830483595 0.75000000000000 0.48270963670958 15.999 > 17 51 O 0.34931830483595 0.75000000000000 0.98270963670958 15.999 > 17 52 O 0.84931830483595 0.75000000000000 0.98270963670958 15.999 > 17 53 O 0.09931830483595 0.75000000000000 0.26729036329042 15.999 > 21 54 O 0.59931830483595 0.75000000000000 0.26729036329042 15.999 > 21 55 O 0.09931830483595 0.75000000000000 0.76729036329042 15.999 > 21 56 O 0.59931830483595 0.75000000000000 0.76729036329042 15.999 > 21 57 O 0.15068169516405 0.75000000000000 0.48270963670958 15.999 > 25 58 O 0.65068169516405 0.75000000000000 0.48270963670958 15.999 > 25 59 O 0.15068169516405 0.75000000000000 0.98270963670958 15.999 > 25 60 O 0.65068169516405 0.75000000000000 0.98270963670958 15.999 > 25 61 O 0.40068169516405 0.75000000000000 0.26729036329042 15.999 > 29 62 O 0.90068169516405 0.75000000000000 0.26729036329042 15.999 > 29 63 O 0.40068169516405 0.75000000000000 0.76729036329042 15.999 > 29 64 O 0.90068169516405 0.75000000000000 0.76729036329042 15.999 > 29 65 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 65 66 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 65 67 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 65 68 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 65 69 Mg 0.25000000000000 0.00000000000000 0.00000000000000 24.305 > 69 70 Mg 0.75000000000000 0.00000000000000 0.00000000000000 24.305 > 69 71 Mg 0.25000000000000 0.00000000000000 0.50000000000000 24.305 > 69 72 Mg 0.75000000000000 0.00000000000000 0.50000000000000 24.305 > 69 73 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 65 74 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 65 75 Mg 0.25000000000000 0.50000000000000 0.50000000000000 24.305 > 65 76 Mg 0.75000000000000 0.50000000000000 0.50000000000000 24.305 > 65 77 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 > 69 78 Mg 0.50000000000000 0.50000000000000 0.25000000000000 24.305 > 69 79 Mg 0.00000000000000 0.50000000000000 0.75000000000000 24.305 > 69 80 Mg 0.50000000000000 0.50000000000000 0.75000000000000 24.305 > 69 81 U 0.00000000000000 0.75000000000000 0.48192949652365 238.029 > 81 82 U 0.50000000000000 0.75000000000000 0.48192949652365 238.029 > 81 83 U 0.00000000000000 0.75000000000000 0.98192949652365 238.029 > 81 84 U 0.50000000000000 0.75000000000000 0.98192949652365 238.029 > 81 85 U 0.25000000000000 0.75000000000000 0.26807050347635 238.029 > 85 86 U 0.75000000000000 0.75000000000000 0.26807050347635 238.029 > 85 87 U 0.25000000000000 0.75000000000000 0.76807050347635 238.029 > 85 88 U 0.75000000000000 0.75000000000000 0.76807050347635 238.029 > 85 89 U 0.25000000000000 0.25000000000000 0.23192949652365 238.029 > 81 90 U 0.75000000000000 0.25000000000000 0.23192949652365 238.029 > 81 91 U 0.25000000000000 0.25000000000000 0.73192949652365 238.029 > 81 92 U 0.75000000000000 0.25000000000000 0.73192949652365 238.029 > 81 93 U 0.00000000000000 0.25000000000000 0.01807050347635 238.029 > 85 94 U 0.50000000000000 0.25000000000000 0.01807050347635 238.029 > 85 95 U 0.00000000000000 0.25000000000000 0.51807050347635 238.029 > 85 96 U 0.50000000000000 0.25000000000000 0.51807050347635 238.029 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1285590 0.0000000 0.0000000 0.0000000 6.4491769 0.0000000 0.0000000 0.0000000 3.8695015 -------------------------- Born effective charges -------------------------- 1 O -0.8359347 0.0000000 0.0000000 0.0000000 -4.0942546 0.3773730 0.0000000 0.4503657 -1.9881675 2 O -0.8359347 0.0000000 0.0000000 0.0000000 -4.0942546 0.3773730 0.0000000 0.4503657 -1.9881675 3 O -0.8359347 0.0000000 0.0000000 0.0000000 -4.0942546 -0.3773730 0.0000000 -0.4503657 -1.9881675 4 O -0.8359347 0.0000000 0.0000000 0.0000000 -4.0942546 -0.3773730 0.0000000 -0.4503657 -1.9881675 5 O -3.8047351 0.0000000 -0.2286647 0.0000000 -1.2732196 0.0000000 -0.4138296 0.0000000 -1.1884098 6 O -3.8047351 0.0000000 0.2286647 0.0000000 -1.2732196 0.0000000 0.4138296 0.0000000 -1.1884098 7 O -3.8047351 0.0000000 0.2286647 0.0000000 -1.2732196 0.0000000 0.4138296 0.0000000 -1.1884098 8 O -3.8047351 0.0000000 -0.2286647 0.0000000 -1.2732196 0.0000000 -0.4138296 0.0000000 -1.1884098 9 Mg 2.9531913 0.0000000 0.0000000 0.0000000 2.0990778 -0.1287379 0.0000000 -0.0205603 2.6831485 10 Mg 2.9531913 0.0000000 0.0000000 0.0000000 2.0990778 0.1287379 0.0000000 0.0205603 2.6831485 11 U 6.3281483 0.0000000 0.0000000 0.0000000 8.6358707 0.0000000 0.0000000 0.0000000 3.6700061 12 U 6.3281483 0.0000000 0.0000000 0.0000000 8.6358707 0.0000000 0.0000000 0.0000000 3.6700061 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 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: -0.00000008 (zzz) -0.00000008 (zzz) -0.00000008 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000007 (yz) -0.00000007 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:35:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:35:13]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.263395090000000 3.434811300000000 3.285495925000000 b 3.263395090000000 -3.434811300000000 3.285495925000000 c 3.263395090000000 3.434811300000000 -3.285495925000000 Atomic positions (fractional): 1 O 0.71610536487724 0.19029272343118 0.52581264144606 15.999 2 O 0.28389463512276 0.80970727656882 0.47418735855394 15.999 3 O 0.16448008198513 0.19029272343118 0.97418735855394 15.999 4 O 0.83551991801487 0.80970727656882 0.02581264144606 15.999 5 O 0.71541927341915 0.66405588309105 0.44863660967190 15.999 6 O 0.28458072658085 0.73321733625274 0.94863660967190 15.999 7 O 0.71541927341915 0.26678266374726 0.05136339032810 15.999 8 O 0.28458072658085 0.33594411690895 0.55136339032810 15.999 9 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 10 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 11 U 0.71385899304730 0.96385899304730 0.75000000000000 238.029 12 U 0.28614100695270 0.03614100695270 0.25000000000000 238.029 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.053580360000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.869622600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.141983700000001 Atomic positions (fractional): 1 O 0.25000000000000 0.02581264144606 0.34514636171559 15.999 > 1 2 O 0.75000000000000 0.02581264144606 0.34514636171559 15.999 > 1 3 O 0.25000000000000 0.02581264144606 0.84514636171559 15.999 > 1 4 O 0.75000000000000 0.02581264144606 0.84514636171559 15.999 > 1 5 O 0.00000000000000 0.47418735855394 0.40485363828441 15.999 > 5 6 O 0.50000000000000 0.47418735855394 0.40485363828441 15.999 > 5 7 O 0.00000000000000 0.47418735855394 0.90485363828441 15.999 > 5 8 O 0.50000000000000 0.47418735855394 0.90485363828441 15.999 > 5 9 O 0.25000000000000 0.47418735855394 0.34514636171559 15.999 > 9 10 O 0.75000000000000 0.47418735855394 0.34514636171559 15.999 > 9 11 O 0.25000000000000 0.47418735855394 0.84514636171559 15.999 > 9 12 O 0.75000000000000 0.47418735855394 0.84514636171559 15.999 > 9 13 O 0.00000000000000 0.02581264144606 0.40485363828441 15.999 > 13 14 O 0.50000000000000 0.02581264144606 0.40485363828441 15.999 > 13 15 O 0.00000000000000 0.02581264144606 0.90485363828441 15.999 > 13 16 O 0.50000000000000 0.02581264144606 0.90485363828441 15.999 > 13 17 O 0.09931830483595 0.25000000000000 0.23270963670958 15.999 > 17 18 O 0.59931830483595 0.25000000000000 0.23270963670958 15.999 > 17 19 O 0.09931830483595 0.25000000000000 0.73270963670958 15.999 > 17 20 O 0.59931830483595 0.25000000000000 0.73270963670958 15.999 > 17 21 O 0.34931830483595 0.25000000000000 0.01729036329042 15.999 > 21 22 O 0.84931830483595 0.25000000000000 0.01729036329042 15.999 > 21 23 O 0.34931830483595 0.25000000000000 0.51729036329042 15.999 > 21 24 O 0.84931830483595 0.25000000000000 0.51729036329042 15.999 > 21 25 O 0.40068169516405 0.25000000000000 0.23270963670958 15.999 > 25 26 O 0.90068169516405 0.25000000000000 0.23270963670958 15.999 > 25 27 O 0.40068169516405 0.25000000000000 0.73270963670958 15.999 > 25 28 O 0.90068169516405 0.25000000000000 0.73270963670958 15.999 > 25 29 O 0.15068169516405 0.25000000000000 0.01729036329042 15.999 > 29 30 O 0.65068169516405 0.25000000000000 0.01729036329042 15.999 > 29 31 O 0.15068169516405 0.25000000000000 0.51729036329042 15.999 > 29 32 O 0.65068169516405 0.25000000000000 0.51729036329042 15.999 > 29 33 O 0.00000000000000 0.52581264144606 0.09514636171559 15.999 > 1 34 O 0.50000000000000 0.52581264144606 0.09514636171559 15.999 > 1 35 O 0.00000000000000 0.52581264144606 0.59514636171559 15.999 > 1 36 O 0.50000000000000 0.52581264144606 0.59514636171559 15.999 > 1 37 O 0.25000000000000 0.97418735855394 0.15485363828441 15.999 > 5 38 O 0.75000000000000 0.97418735855394 0.15485363828441 15.999 > 5 39 O 0.25000000000000 0.97418735855394 0.65485363828441 15.999 > 5 40 O 0.75000000000000 0.97418735855394 0.65485363828441 15.999 > 5 41 O 0.00000000000000 0.97418735855394 0.09514636171559 15.999 > 9 42 O 0.50000000000000 0.97418735855394 0.09514636171559 15.999 > 9 43 O 0.00000000000000 0.97418735855394 0.59514636171559 15.999 > 9 44 O 0.50000000000000 0.97418735855394 0.59514636171559 15.999 > 9 45 O 0.25000000000000 0.52581264144606 0.15485363828441 15.999 > 13 46 O 0.75000000000000 0.52581264144606 0.15485363828441 15.999 > 13 47 O 0.25000000000000 0.52581264144606 0.65485363828441 15.999 > 13 48 O 0.75000000000000 0.52581264144606 0.65485363828441 15.999 > 13 49 O 0.34931830483595 0.75000000000000 0.48270963670958 15.999 > 17 50 O 0.84931830483595 0.75000000000000 0.48270963670958 15.999 > 17 51 O 0.34931830483595 0.75000000000000 0.98270963670958 15.999 > 17 52 O 0.84931830483595 0.75000000000000 0.98270963670958 15.999 > 17 53 O 0.09931830483595 0.75000000000000 0.26729036329042 15.999 > 21 54 O 0.59931830483595 0.75000000000000 0.26729036329042 15.999 > 21 55 O 0.09931830483595 0.75000000000000 0.76729036329042 15.999 > 21 56 O 0.59931830483595 0.75000000000000 0.76729036329042 15.999 > 21 57 O 0.15068169516405 0.75000000000000 0.48270963670958 15.999 > 25 58 O 0.65068169516405 0.75000000000000 0.48270963670958 15.999 > 25 59 O 0.15068169516405 0.75000000000000 0.98270963670958 15.999 > 25 60 O 0.65068169516405 0.75000000000000 0.98270963670958 15.999 > 25 61 O 0.40068169516405 0.75000000000000 0.26729036329042 15.999 > 29 62 O 0.90068169516405 0.75000000000000 0.26729036329042 15.999 > 29 63 O 0.40068169516405 0.75000000000000 0.76729036329042 15.999 > 29 64 O 0.90068169516405 0.75000000000000 0.76729036329042 15.999 > 29 65 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 65 66 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 65 67 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 65 68 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 65 69 Mg 0.25000000000000 0.00000000000000 0.00000000000000 24.305 > 69 70 Mg 0.75000000000000 0.00000000000000 0.00000000000000 24.305 > 69 71 Mg 0.25000000000000 0.00000000000000 0.50000000000000 24.305 > 69 72 Mg 0.75000000000000 0.00000000000000 0.50000000000000 24.305 > 69 73 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 65 74 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 65 75 Mg 0.25000000000000 0.50000000000000 0.50000000000000 24.305 > 65 76 Mg 0.75000000000000 0.50000000000000 0.50000000000000 24.305 > 65 77 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 > 69 78 Mg 0.50000000000000 0.50000000000000 0.25000000000000 24.305 > 69 79 Mg 0.00000000000000 0.50000000000000 0.75000000000000 24.305 > 69 80 Mg 0.50000000000000 0.50000000000000 0.75000000000000 24.305 > 69 81 U 0.00000000000000 0.75000000000000 0.48192949652365 238.029 > 81 82 U 0.50000000000000 0.75000000000000 0.48192949652365 238.029 > 81 83 U 0.00000000000000 0.75000000000000 0.98192949652365 238.029 > 81 84 U 0.50000000000000 0.75000000000000 0.98192949652365 238.029 > 81 85 U 0.25000000000000 0.75000000000000 0.26807050347635 238.029 > 85 86 U 0.75000000000000 0.75000000000000 0.26807050347635 238.029 > 85 87 U 0.25000000000000 0.75000000000000 0.76807050347635 238.029 > 85 88 U 0.75000000000000 0.75000000000000 0.76807050347635 238.029 > 85 89 U 0.25000000000000 0.25000000000000 0.23192949652365 238.029 > 81 90 U 0.75000000000000 0.25000000000000 0.23192949652365 238.029 > 81 91 U 0.25000000000000 0.25000000000000 0.73192949652365 238.029 > 81 92 U 0.75000000000000 0.25000000000000 0.73192949652365 238.029 > 81 93 U 0.00000000000000 0.25000000000000 0.01807050347635 238.029 > 85 94 U 0.50000000000000 0.25000000000000 0.01807050347635 238.029 > 85 95 U 0.00000000000000 0.25000000000000 0.51807050347635 238.029 > 85 96 U 0.50000000000000 0.25000000000000 0.51807050347635 238.029 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.1285590 0.0000000 0.0000000 0.0000000 6.4491769 0.0000000 0.0000000 0.0000000 3.8695015 -------------------------- Born effective charges -------------------------- 1 O -0.8359347 0.0000000 0.0000000 0.0000000 -4.0942546 0.3773730 0.0000000 0.4503657 -1.9881675 2 O -0.8359347 0.0000000 0.0000000 0.0000000 -4.0942546 0.3773730 0.0000000 0.4503657 -1.9881675 3 O -0.8359347 0.0000000 0.0000000 0.0000000 -4.0942546 -0.3773730 0.0000000 -0.4503657 -1.9881675 4 O -0.8359347 0.0000000 0.0000000 0.0000000 -4.0942546 -0.3773730 0.0000000 -0.4503657 -1.9881675 5 O -3.8047351 0.0000000 -0.2286647 0.0000000 -1.2732196 0.0000000 -0.4138296 0.0000000 -1.1884098 6 O -3.8047351 0.0000000 0.2286647 0.0000000 -1.2732196 0.0000000 0.4138296 0.0000000 -1.1884098 7 O -3.8047351 0.0000000 0.2286647 0.0000000 -1.2732196 0.0000000 0.4138296 0.0000000 -1.1884098 8 O -3.8047351 0.0000000 -0.2286647 0.0000000 -1.2732196 0.0000000 -0.4138296 0.0000000 -1.1884098 9 Mg 2.9531913 0.0000000 0.0000000 0.0000000 2.0990778 -0.1287379 0.0000000 -0.0205603 2.6831485 10 Mg 2.9531913 0.0000000 0.0000000 0.0000000 2.0990778 0.1287379 0.0000000 0.0205603 2.6831485 11 U 6.3281483 0.0000000 0.0000000 0.0000000 8.6358707 0.0000000 0.0000000 0.0000000 3.6700061 12 U 6.3281483 0.0000000 0.0000000 0.0000000 8.6358707 0.0000000 0.0000000 0.0000000 3.6700061 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000008 (zzz) -0.00000008 (zzz) -0.00000008 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 11 ] 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: 0.79, Number of G-points: 321, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/216) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.826 ( 0.000 0.000 0.000) 0.000 2.984 ( 0.000 0.000 0.000) 0.000 3.983 ( 0.000 0.000 0.000) 0.000 4.737 ( 0.000 0.000 0.000) 0.000 5.098 ( 0.000 0.000 0.000) 0.000 5.829 ( 0.000 0.000 0.000) 0.000 6.290 ( 0.000 0.000 0.000) 0.000 6.808 ( 0.000 0.000 0.000) 0.000 6.868 ( 0.000 0.000 0.000) 0.000 6.892 ( 0.000 0.000 0.000) 0.000 7.466 ( 0.000 0.000 0.000) 0.000 8.297 ( 0.000 0.000 0.000) 0.000 8.506 ( 0.000 0.000 0.000) 0.000 8.761 ( 0.000 0.000 0.000) 0.000 8.774 ( 0.000 0.000 0.000) 0.000 9.032 ( 0.000 0.000 0.000) 0.000 10.011 ( 0.000 0.000 0.000) 0.000 10.130 ( 0.000 0.000 0.000) 0.000 10.311 ( 0.000 0.000 0.000) 0.000 10.607 ( 0.000 0.000 0.000) 0.000 10.617 ( 0.000 0.000 0.000) 0.000 11.512 ( 0.000 0.000 0.000) 0.000 12.438 ( 0.000 0.000 0.000) 0.000 12.486 ( 0.000 0.000 0.000) 0.000 14.092 ( 0.000 0.000 0.000) 0.000 15.296 ( 0.000 0.000 0.000) 0.000 15.626 ( 0.000 0.000 0.000) 0.000 16.418 ( 0.000 0.000 0.000) 0.000 17.700 ( 0.000 0.000 0.000) 0.000 17.780 ( 0.000 0.000 0.000) 0.000 17.828 ( 0.000 0.000 0.000) 0.000 21.851 ( 0.000 0.000 0.000) 0.000 22.317 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/216) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 0.000 29.312 5.378) 29.801 0.621 ( 0.000 17.437 27.462) 32.530 1.049 ( 0.000 46.004 23.271) 51.555 1.916 ( 0.000 8.180 8.702) 11.943 2.999 ( 0.000 -0.979 2.816) 2.982 4.052 ( 0.000 3.917 3.324) 5.137 4.543 ( -0.000 6.801 -21.201) 22.265 5.361 ( 0.000 0.537 26.659) 26.664 5.873 ( 0.000 9.047 -3.591) 9.734 6.583 ( 0.000 -33.714 30.556) 45.500 6.792 ( -0.000 -2.509 0.107) 2.511 6.875 ( 0.000 2.224 -0.627) 2.311 6.917 ( 0.000 0.932 2.361) 2.538 7.351 ( -0.000 -9.607 -7.045) 11.913 8.238 ( -0.000 -7.697 -0.889) 7.748 8.446 ( -0.000 -7.865 -0.181) 7.867 8.729 ( -0.000 -3.500 -1.171) 3.691 8.819 ( 0.000 7.721 -2.039) 7.985 9.123 ( 0.000 7.635 4.814) 9.026 10.029 ( -0.000 -2.958 -7.288) 7.865 10.274 ( -0.000 -3.683 -1.655) 4.038 10.447 ( -0.000 10.781 -16.178) 19.441 10.695 ( 0.000 -1.814 10.342) 10.500 11.201 ( 0.000 -7.701 3.682) 8.536 11.472 ( -0.000 -2.835 -2.937) 4.082 12.349 ( -0.000 3.338 -14.810) 15.182 14.240 ( 0.000 1.652 19.166) 19.237 14.474 ( -0.000 87.067 -83.600) 120.705 15.345 ( -0.000 3.834 -2.317) 4.480 16.538 ( 0.000 11.509 5.377) 12.703 17.676 ( -0.000 -0.786 -1.980) 2.131 17.805 ( 0.000 0.895 1.993) 2.185 17.846 ( 0.000 3.929 -1.112) 4.084 19.548 ( -0.000 21.307 -31.379) 37.929 21.845 ( 0.000 -3.473 2.209) 4.116 22.330 ( -0.000 -0.716 0.017) 0.717 ======================= Grid point 2 (3/216) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 0.000 28.261 5.749) 28.840 1.209 ( 0.000 14.155 26.735) 30.251 1.655 ( 0.000 11.921 11.063) 16.264 2.467 ( 0.000 41.631 20.635) 46.464 3.023 ( 0.000 -3.444 4.230) 5.455 4.009 ( -0.000 -1.363 -12.629) 12.702 4.575 ( 0.000 20.025 0.611) 20.034 5.744 ( 0.000 0.428 26.435) 26.439 5.963 ( -0.000 13.795 -5.933) 15.017 6.573 ( 0.000 -13.397 13.954) 19.344 6.744 ( -0.000 -4.807 -0.148) 4.809 6.919 ( 0.000 4.518 0.751) 4.580 6.982 ( 0.000 2.726 3.715) 4.608 7.037 ( -0.000 -17.835 -11.161) 21.039 8.072 ( -0.000 -13.986 -2.554) 14.217 8.312 ( -0.000 -10.675 -1.122) 10.734 8.651 ( -0.000 -4.822 -1.283) 4.990 8.893 ( -0.000 9.123 -4.144) 10.020 9.331 ( 0.000 9.111 8.014) 12.134 9.908 ( -0.000 -2.361 -3.925) 4.581 10.180 ( -0.000 -5.843 -1.940) 6.157 10.338 ( -0.000 3.305 -12.584) 13.010 10.802 ( 0.000 -5.117 10.958) 12.094 11.125 ( -0.000 -3.840 -3.561) 5.237 11.358 ( -0.000 -5.399 -5.563) 7.752 12.158 ( -0.000 4.950 -19.572) 20.189 14.395 ( -0.000 19.022 -18.561) 26.577 14.646 ( 0.000 19.180 4.798) 19.771 15.421 ( 0.000 4.114 8.256) 9.224 16.835 ( 0.000 17.008 8.841) 19.168 17.637 ( -0.000 -0.802 -2.039) 2.191 17.847 ( 0.000 0.981 2.055) 2.277 17.899 ( 0.000 7.309 -2.281) 7.657 19.331 ( -0.000 4.020 -23.664) 24.003 21.809 ( -0.000 -6.176 1.385) 6.330 22.324 ( -0.000 0.261 -0.248) 0.360 ======================= Grid point 3 (4/216) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 0.000 26.575 6.189) 27.286 1.711 ( 0.000 8.853 22.502) 24.181 1.912 ( 0.000 4.707 14.423) 15.172 2.997 ( -0.000 -8.678 2.576) 9.052 3.336 ( 0.000 48.232 14.736) 50.433 3.802 ( -0.000 0.856 -13.922) 13.949 4.943 ( 0.000 22.666 8.459) 24.193 6.049 ( -0.000 11.598 -7.339) 13.725 6.075 ( 0.000 -1.185 21.124) 21.157 6.600 ( -0.000 -20.005 -10.918) 22.790 6.637 ( 0.000 -2.995 8.127) 8.661 6.660 ( -0.000 -6.633 -1.012) 6.710 7.015 ( 0.000 5.436 3.248) 6.333 7.107 ( 0.000 6.992 5.707) 9.025 7.802 ( -0.000 -19.118 -4.105) 19.554 8.138 ( -0.000 -12.102 -2.115) 12.285 8.582 ( -0.000 -3.897 -0.181) 3.901 8.919 ( -0.000 6.082 -7.640) 9.765 9.560 ( 0.000 7.273 8.457) 11.154 9.869 ( 0.000 -1.635 2.262) 2.791 10.095 ( -0.000 -4.262 0.449) 4.285 10.204 ( -0.000 1.851 -10.986) 11.141 10.857 ( 0.000 -6.492 7.896) 10.223 11.004 ( -0.000 -2.731 -7.154) 7.657 11.181 ( -0.000 -7.308 -7.479) 10.457 11.958 ( -0.000 4.740 -18.235) 18.841 14.385 ( -0.000 14.416 -13.897) 20.024 14.861 ( 0.000 -0.120 6.655) 6.656 15.745 ( 0.000 11.028 23.328) 25.803 17.199 ( 0.000 18.336 8.865) 20.367 17.601 ( -0.000 -0.649 -1.640) 1.764 17.885 ( 0.000 0.838 1.651) 1.851 17.965 ( -0.000 8.756 -4.286) 9.749 19.017 ( -0.000 -4.384 -20.636) 21.096 21.719 ( -0.000 -7.038 -1.393) 7.174 22.331 ( 0.000 0.106 0.873) 0.880 ======================= Grid point 4 (5/216) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 0.000 24.219 6.468) 25.068 2.043 ( 0.000 4.799 13.434) 14.265 2.195 ( 0.000 2.900 16.486) 16.739 2.847 ( -0.000 -14.520 -2.011) 14.658 3.675 ( -0.000 2.539 -7.779) 8.183 4.113 ( 0.000 46.322 7.087) 46.861 5.355 ( 0.000 20.525 8.248) 22.121 5.914 ( -0.000 -20.239 -10.870) 22.974 6.274 ( 0.000 -4.561 12.446) 13.255 6.308 ( -0.000 0.613 -2.734) 2.802 6.550 ( -0.000 -5.999 -1.873) 6.285 6.774 ( 0.000 7.893 3.710) 8.722 7.146 ( 0.000 5.378 5.089) 7.404 7.323 ( 0.000 10.927 7.409) 13.202 7.478 ( -0.000 -20.559 -3.765) 20.901 7.940 ( -0.000 -12.740 -2.406) 12.966 8.543 ( -0.000 -2.390 0.568) 2.456 8.832 ( -0.000 0.251 -10.466) 10.469 9.711 ( 0.000 2.077 3.138) 3.764 9.949 ( 0.000 1.399 9.855) 9.954 10.099 ( -0.000 1.753 -7.250) 7.459 10.102 ( 0.000 0.690 3.982) 4.041 10.803 ( -0.000 -6.641 -4.388) 7.960 10.917 ( -0.000 -1.152 0.219) 1.172 10.970 ( -0.000 -7.768 -7.912) 11.088 11.788 ( -0.000 3.175 -13.549) 13.916 14.396 ( -0.000 9.277 -7.245) 11.771 14.878 ( 0.000 -4.322 2.203) 4.852 16.272 ( 0.000 10.175 29.226) 30.947 17.531 ( 0.000 18.416 2.279) 18.557 17.575 ( -0.000 -0.421 -1.051) 1.132 17.913 ( 0.000 0.561 1.055) 1.194 17.985 ( -0.000 4.503 -6.462) 7.876 18.680 ( -0.000 -8.209 -14.032) 16.257 21.601 ( -0.000 -5.685 -2.747) 6.314 22.346 ( 0.000 -0.234 1.203) 1.226 ======================= Grid point 5 (6/216) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 0.000 19.437 5.744) 20.268 2.225 ( 0.000 2.389 5.199) 5.722 2.379 ( 0.000 0.071 6.577) 6.578 2.583 ( -0.000 -16.400 -4.640) 17.044 3.636 ( -0.000 1.199 -2.214) 2.518 4.774 ( 0.000 41.985 4.640) 42.240 5.385 ( -0.000 -35.723 -7.584) 36.520 5.666 ( 0.000 10.864 3.924) 11.551 6.284 ( -0.000 -6.582 2.168) 6.930 6.365 ( 0.000 4.645 0.233) 4.651 6.494 ( -0.000 -0.784 0.238) 0.820 6.926 ( 0.000 10.075 0.412) 10.084 7.189 ( -0.000 -15.552 -1.476) 15.622 7.275 ( 0.000 3.296 3.488) 4.799 7.555 ( 0.000 10.741 3.489) 11.294 7.750 ( -0.000 -11.464 -0.999) 11.508 8.530 ( 0.000 -0.787 0.366) 0.868 8.689 ( -0.000 -1.563 -6.001) 6.202 9.737 ( 0.000 -0.323 0.590) 0.672 10.049 ( -0.000 0.969 -2.497) 2.678 10.116 ( 0.000 2.158 7.113) 7.433 10.188 ( 0.000 2.209 3.268) 3.945 10.650 ( -0.000 -3.589 -4.932) 6.099 10.791 ( -0.000 -4.319 -4.408) 6.171 10.920 ( 0.000 -0.385 0.779) 0.868 11.681 ( -0.000 1.062 -5.272) 5.378 14.419 ( -0.000 3.561 -2.244) 4.209 14.846 ( -0.000 -2.309 0.512) 2.365 16.730 ( 0.000 4.171 18.386) 18.853 17.562 ( -0.000 -0.146 -0.361) 0.390 17.678 ( -0.000 12.432 -12.062) 17.322 17.928 ( 0.000 0.197 0.362) 0.412 17.936 ( 0.000 -3.959 2.647) 4.763 18.469 ( -0.000 -3.572 -4.199) 5.513 21.515 ( -0.000 -2.227 -1.368) 2.614 22.356 ( 0.000 -0.160 0.520) 0.544 ======================= Grid point 11 (7/216) ======================= q-point: ( 0.00 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 20.709 -0.000 20.415) 29.080 0.717 ( 5.581 -0.000 44.912) 45.257 0.879 ( 56.579 -0.000 4.633) 56.768 1.896 ( 4.086 -0.000 5.818) 7.109 3.040 ( 5.166 -0.000 3.028) 5.988 4.090 ( 9.139 -0.000 5.799) 10.823 4.579 ( 4.431 -0.000 -20.384) 20.860 5.439 ( 6.351 -0.000 14.129) 15.490 5.781 ( -3.341 0.000 -3.459) 4.809 6.398 ( -11.197 0.000 9.620) 14.762 6.840 ( -2.879 0.000 -0.974) 3.039 6.921 ( 1.430 -0.000 2.226) 2.646 7.430 ( 2.027 -0.000 -6.988) 7.276 8.315 ( 7.490 -0.000 -4.547) 8.762 8.540 ( 51.653 -0.000 -50.607) 72.313 8.543 ( 4.922 -0.000 0.214) 4.927 8.733 ( -1.986 0.000 -2.369) 3.091 8.798 ( 4.380 -0.000 -7.197) 8.425 9.042 ( 1.112 -0.000 0.347) 1.165 9.986 ( -0.871 0.000 -5.080) 5.154 10.090 ( -1.706 0.000 0.084) 1.708 10.195 ( -13.744 0.000 -1.220) 13.798 10.704 ( -1.511 0.000 12.396) 12.488 11.182 ( -18.662 0.000 27.015) 32.834 11.488 ( -0.481 0.000 -3.064) 3.102 12.347 ( -2.313 0.000 -9.856) 10.124 12.465 ( -1.350 0.000 -1.612) 2.103 14.004 ( -32.768 0.000 19.290) 38.024 15.310 ( -0.674 0.000 2.709) 2.792 16.024 ( -51.772 0.000 40.523) 65.746 16.406 ( -4.983 0.000 3.622) 6.160 17.828 ( 0.699 -0.000 -0.782) 1.049 17.984 ( 26.859 -0.000 0.658) 26.867 21.786 ( 1.323 -0.000 -8.372) 8.476 22.069 ( 76.969 -0.000 -74.040) 106.799 22.463 ( 42.982 -0.000 -38.939) 57.997 ======================= Grid point 12 (8/216) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 30.455 9.698 14.075) 34.923 1.121 ( 24.052 15.286 20.228) 34.947 1.454 ( 6.191 20.753 23.194) 31.733 2.118 ( 1.059 12.977 18.986) 23.021 3.089 ( 4.962 -1.668 5.271) 7.429 4.130 ( 9.630 -5.781 -6.440) 12.947 4.397 ( 7.536 14.016 -4.327) 16.491 5.691 ( -5.808 -0.390 16.027) 17.051 5.793 ( -1.781 8.529 1.403) 8.825 6.488 ( -12.769 -3.126 6.982) 14.885 6.842 ( -3.636 2.463 -0.907) 4.485 6.966 ( 0.994 0.895 3.405) 3.659 7.239 ( 3.114 -8.759 -11.130) 14.501 7.485 ( 47.545 -41.652 -3.873) 63.328 8.254 ( 4.842 -8.459 -1.782) 9.908 8.466 ( 3.152 -9.321 -0.713) 9.865 8.706 ( -0.754 -4.164 -1.138) 4.382 8.773 ( -0.592 8.188 -3.652) 8.985 9.209 ( 1.084 11.317 5.556) 12.654 9.910 ( -1.324 1.386 -8.220) 8.440 10.089 ( -13.032 -3.199 -3.445) 13.854 10.337 ( 3.184 13.246 -8.539) 16.078 10.862 ( -1.089 -4.445 13.469) 14.226 11.213 ( -0.087 -10.827 1.647) 10.952 11.408 ( -0.525 -2.625 -5.835) 6.420 12.097 ( -2.436 -0.219 -16.620) 16.799 13.383 ( -26.535 89.005 -27.393) 96.831 14.336 ( -34.073 -0.515 27.277) 43.649 15.373 ( -1.043 1.458 4.816) 5.139 16.480 ( -40.128 24.458 0.656) 46.999 16.631 ( -42.256 -0.442 24.542) 48.868 17.814 ( 1.177 0.165 -0.811) 1.438 18.028 ( 27.696 4.425 0.893) 28.061 20.730 ( 118.813 -19.900 -48.617) 129.908 21.837 ( -4.412 -3.124 0.732) 5.455 22.336 ( 1.873 -1.095 -0.395) 2.205 ======================= Grid point 13 (9/216) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 29.336 16.560 9.616) 35.033 1.636 ( 7.992 10.373 25.108) 28.317 1.848 ( 3.236 8.589 12.842) 15.785 2.764 ( 0.044 35.227 20.155) 40.586 3.125 ( 5.041 -4.418 5.287) 8.537 3.895 ( 10.372 -3.405 -12.759) 16.792 4.701 ( 5.413 18.688 10.215) 21.975 5.788 ( -10.408 9.214 -3.767) 14.402 6.059 ( -4.151 3.347 17.141) 17.951 6.535 ( -7.250 -1.867 4.997) 9.001 6.826 ( -3.564 -7.649 -7.524) 11.305 6.967 ( 5.012 -2.739 -3.563) 6.732 7.053 ( 1.375 1.780 5.401) 5.851 7.120 ( 29.617 -16.959 0.972) 34.143 8.060 ( 4.334 -15.088 -3.541) 16.093 8.307 ( 2.041 -11.395 -1.972) 11.743 8.630 ( 0.090 -3.275 -1.942) 3.809 8.827 ( 0.358 7.899 -5.253) 9.493 9.455 ( 0.773 10.291 8.036) 13.080 9.860 ( -1.224 2.852 -2.684) 4.104 9.990 ( -12.550 -4.531 -2.195) 13.522 10.318 ( 8.889 2.743 -7.028) 11.660 10.946 ( -0.820 -7.200 9.855) 12.232 11.070 ( 1.808 -6.996 -4.838) 8.696 11.261 ( -0.221 -4.966 -7.900) 9.334 11.884 ( -2.614 2.547 -16.167) 16.574 13.881 ( -17.150 45.428 -22.565) 53.544 14.683 ( -32.785 -3.199 23.164) 40.270 15.522 ( -7.677 6.614 11.100) 15.030 16.761 ( -51.095 22.935 -7.601) 56.520 16.944 ( -25.254 4.732 18.722) 31.791 17.819 ( 1.499 1.243 0.261) 1.965 18.113 ( 30.043 6.751 0.470) 30.795 20.035 ( 89.975 -15.077 -24.107) 94.360 21.767 ( -4.394 -4.869 -3.012) 7.217 22.339 ( 0.249 -0.967 2.248) 2.460 ======================= Grid point 14 (10/216) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 21.124 18.554 9.070) 29.542 1.996 ( 1.273 3.621 14.336) 14.841 2.176 ( 4.238 4.883 20.058) 21.075 3.055 ( 5.144 -10.148 1.216) 11.442 3.511 ( 0.345 42.134 8.613) 43.007 3.739 ( 10.404 0.011 -5.414) 11.728 5.107 ( 2.802 18.476 11.468) 21.925 5.861 ( -10.569 8.682 -3.685) 14.165 6.271 ( -6.256 -2.179 8.066) 10.438 6.454 ( -2.746 -15.118 -5.207) 16.224 6.618 ( 4.240 0.674 0.727) 4.354 6.915 ( 16.888 -8.626 0.385) 18.967 7.078 ( 3.763 4.415 3.644) 6.851 7.206 ( 0.615 6.840 7.910) 10.476 7.776 ( 4.741 -18.782 -4.077) 19.795 8.117 ( 1.610 -12.393 -2.453) 12.735 8.573 ( 0.596 -1.325 -1.949) 2.431 8.813 ( 0.980 3.362 -7.943) 8.680 9.658 ( 0.024 6.536 3.480) 7.405 9.893 ( -6.781 4.074 -1.530) 8.057 9.965 ( -4.103 -2.790 8.859) 10.154 10.258 ( 11.401 1.729 -4.647) 12.433 10.895 ( 0.349 -6.848 -6.403) 9.382 10.960 ( -0.045 -5.555 4.338) 7.048 11.067 ( 0.469 -6.586 -8.712) 10.931 11.722 ( -2.744 3.073 -12.453) 13.116 14.083 ( -12.572 25.336 -13.685) 31.421 14.842 ( -22.290 -8.468 11.997) 26.692 15.861 ( -25.874 12.270 17.447) 33.532 16.860 ( -61.299 9.220 -7.476) 62.438 17.288 ( -6.971 14.215 11.087) 19.328 17.852 ( 1.821 1.221 1.888) 2.894 18.215 ( 35.290 7.875 0.135) 36.158 19.583 ( 74.118 -14.792 -13.839) 76.837 21.640 ( -4.004 -4.432 -5.734) 8.280 22.360 ( -0.134 -1.863 3.226) 3.728 ======================= Grid point 15 (11/216) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 13.467 17.307 8.350) 23.465 2.184 ( -0.985 2.451 6.854) 7.346 2.426 ( 4.119 -1.702 11.473) 12.308 2.873 ( 9.356 -14.482 -2.787) 17.465 3.695 ( 8.472 -1.151 1.742) 8.725 4.188 ( -0.321 45.002 3.934) 45.175 5.457 ( -3.399 10.288 7.991) 13.463 5.795 ( 1.147 -15.227 -4.020) 15.791 6.156 ( -10.888 0.294 -1.473) 10.991 6.416 ( -0.028 -6.583 5.947) 8.871 6.633 ( 10.912 3.676 -4.173) 12.247 6.862 ( 8.220 0.521 1.511) 8.374 7.195 ( -2.015 3.732 3.130) 5.271 7.402 ( 0.167 3.726 3.281) 4.967 7.499 ( 7.088 -11.713 0.143) 13.691 7.923 ( 1.720 -12.604 -1.338) 12.791 8.539 ( 0.955 0.531 -2.220) 2.475 8.713 ( 1.448 -0.499 -7.320) 7.478 9.723 ( -0.722 3.052 -1.802) 3.617 9.927 ( -7.963 2.320 0.654) 8.320 10.115 ( 1.131 -0.774 12.026) 12.104 10.257 ( 10.277 4.134 -1.302) 11.154 10.716 ( -0.187 -5.833 -6.144) 8.474 10.863 ( 1.195 -5.311 -8.057) 9.724 10.944 ( 0.213 -3.382 2.039) 3.955 11.632 ( -3.011 2.580 -5.316) 6.632 14.204 ( -11.226 16.090 -7.989) 21.183 14.843 ( -15.462 -9.722 7.101) 19.596 16.238 ( -40.335 11.391 11.153) 43.372 16.827 ( -60.013 3.736 -8.670) 60.751 17.589 ( -3.505 12.182 6.215) 14.118 17.890 ( 1.099 -1.013 2.639) 3.033 18.327 ( 43.922 7.057 2.003) 44.531 19.258 ( 65.386 -13.303 -5.585) 66.958 21.515 ( -3.949 -1.921 -5.439) 6.990 22.374 ( -0.051 -2.435 2.729) 3.658 ======================= Grid point 16 (12/216) ======================= q-point: (-0.55 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -2.954 -1.973 -1.835) 3.998 2.275 ( 2.591 5.545 2.752) 6.711 2.475 ( 9.295 1.594 -0.640) 9.452 2.637 ( 14.063 -11.690 -2.783) 18.498 3.724 ( 8.187 -3.382 6.544) 11.013 4.834 ( -2.540 41.157 6.364) 41.724 5.282 ( -3.210 -33.151 -2.852) 33.427 5.739 ( 2.083 0.273 3.869) 4.403 6.213 ( -8.885 5.781 -1.251) 10.674 6.331 ( 0.845 -9.314 -0.644) 9.375 6.640 ( 13.924 3.221 -1.294) 14.350 6.951 ( 3.822 9.773 -0.308) 10.498 7.148 ( -3.323 -9.972 -1.794) 10.664 7.340 ( 6.044 -3.027 -0.055) 6.760 7.593 ( 1.343 9.385 1.012) 9.535 7.741 ( 1.485 -12.041 -2.301) 12.348 8.522 ( 1.494 2.059 -3.065) 3.983 8.674 ( 1.172 1.896 2.582) 3.411 9.723 ( 0.177 2.600 -2.967) 3.949 9.955 ( -8.673 0.038 0.623) 8.696 10.175 ( 1.656 -4.982 -0.543) 5.278 10.293 ( 9.430 2.657 -2.000) 9.999 10.634 ( 0.284 -1.137 3.166) 3.376 10.757 ( 1.307 1.762 -1.466) 2.638 10.930 ( 0.428 -1.307 0.335) 1.415 11.655 ( -3.251 1.348 4.915) 6.045 14.288 ( -11.612 9.882 -4.870) 16.007 14.811 ( -13.044 -8.278 6.070) 16.599 16.367 ( -39.701 3.385 -9.808) 41.034 16.782 ( -63.457 4.342 -2.923) 63.672 17.771 ( -2.737 6.665 2.146) 7.518 17.869 ( -0.125 -5.809 0.052) 5.811 18.449 ( 47.566 0.440 6.958) 48.075 19.109 ( 62.037 -4.834 3.307) 62.313 21.456 ( -4.040 2.249 -2.930) 5.474 22.372 ( 0.190 -2.442 1.786) 3.031 ======================= Grid point 17 (13/216) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -1.700 -9.378 -9.512) 13.466 2.169 ( 1.564 -9.054 -8.120) 12.262 2.322 ( 12.481 -10.990 -9.281) 19.045 2.716 ( 10.059 13.961 2.220) 17.350 3.788 ( 8.458 -5.064 11.018) 14.784 4.716 ( 0.726 -42.877 -3.919) 43.062 5.421 ( -9.468 21.303 5.926) 24.053 5.693 ( 7.104 -2.706 1.639) 7.777 6.204 ( -12.918 -3.979 -1.958) 13.658 6.241 ( 3.858 3.821 -6.585) 8.535 6.677 ( 16.931 4.139 0.153) 17.431 6.912 ( -0.343 -11.858 -2.226) 12.070 7.158 ( -2.469 5.821 -2.010) 6.634 7.298 ( 7.709 7.602 -1.423) 10.920 7.495 ( 1.289 -13.428 -6.094) 14.802 7.776 ( 0.656 12.922 1.794) 13.062 8.513 ( 1.450 3.601 -3.293) 5.091 8.817 ( 0.462 2.976 10.736) 11.151 9.715 ( 0.536 2.142 -3.025) 3.746 9.935 ( -11.009 -1.320 -2.450) 11.355 10.013 ( 0.558 -6.631 -7.875) 10.310 10.281 ( 11.886 1.722 -1.422) 12.093 10.733 ( -0.166 3.518 5.434) 6.476 10.865 ( 0.580 6.860 5.692) 8.933 10.926 ( 1.260 -0.051 1.766) 2.170 11.791 ( -3.480 -0.897 13.618) 14.085 14.328 ( -13.305 4.895 -3.389) 14.576 14.799 ( -13.863 -6.608 6.233) 16.575 16.116 ( -29.078 -5.290 -20.477) 35.955 16.814 ( -66.805 6.302 -5.510) 67.328 17.732 ( 0.329 -11.769 -2.488) 12.033 17.838 ( -2.425 1.869 0.088) 3.063 18.477 ( 37.947 -10.454 6.275) 39.857 19.259 ( 66.024 7.810 14.473) 68.041 21.491 ( -4.140 6.337 -0.738) 7.605 22.361 ( 0.436 -2.204 1.135) 2.517 ======================= Grid point 18 (14/216) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 2.598 -15.500 -11.140) 19.264 1.912 ( 8.000 -10.979 -9.903) 16.811 2.007 ( 8.491 -9.271 -15.002) 19.573 2.899 ( 5.753 10.998 -0.660) 12.429 3.896 ( 7.071 -8.920 13.067) 17.330 4.026 ( 5.067 -45.382 -6.424) 46.114 5.260 ( 0.698 -21.603 -5.802) 22.379 5.925 ( -10.342 2.624 -2.493) 10.957 6.163 ( -1.199 -2.498 -4.415) 5.213 6.266 ( 0.029 22.498 4.270) 22.899 6.705 ( -0.281 -11.585 -4.139) 12.305 6.759 ( 19.298 8.159 -0.578) 20.960 7.073 ( 0.050 -3.423 -5.134) 6.171 7.235 ( 0.344 -11.707 -5.383) 12.889 7.562 ( 4.572 21.293 3.136) 22.003 7.980 ( 0.897 13.160 2.171) 13.368 8.531 ( 1.276 5.029 -2.338) 5.690 8.977 ( -0.157 -2.486 10.093) 10.396 9.651 ( 0.550 -4.913 -5.952) 7.737 9.846 ( 0.297 1.159 -5.233) 5.368 9.916 ( -12.444 1.324 -1.392) 12.591 10.330 ( 11.424 3.473 3.077) 12.330 10.794 ( -0.067 2.297 -2.654) 3.511 10.979 ( -0.002 1.016 7.204) 7.276 11.078 ( 1.116 8.576 6.737) 10.962 11.989 ( -3.799 -3.462 18.536) 19.235 14.327 ( -16.838 3.077 -4.698) 17.749 14.791 ( -18.534 -10.106 7.955) 22.559 15.741 ( -15.858 -8.329 -18.224) 25.553 16.758 ( -66.417 5.726 -14.723) 68.270 17.515 ( -2.559 -17.700 0.317) 17.887 17.841 ( -1.878 -0.379 -0.443) 1.966 18.379 ( 30.151 -12.948 3.258) 32.975 19.654 ( 70.915 12.446 21.621) 75.175 21.585 ( -4.283 8.527 -0.748) 9.571 22.348 ( 0.626 -2.000 1.106) 2.369 ======================= Grid point 19 (15/216) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 3.890 -17.284 -14.618) 22.968 1.546 ( 21.209 -20.336 -10.797) 31.304 1.764 ( 3.047 -2.659 -9.740) 10.546 2.978 ( 3.123 2.477 -2.948) 4.958 3.168 ( 5.967 -50.643 -13.143) 52.660 4.089 ( 9.382 -3.036 16.032) 18.822 4.893 ( 4.250 -22.170 -2.346) 22.695 5.721 ( -4.871 -2.642 -19.808) 20.569 6.077 ( -6.032 -9.210 2.795) 11.359 6.469 ( -2.687 -4.419 -7.333) 8.973 6.751 ( 1.321 21.697 8.608) 23.380 6.867 ( 21.183 10.643 -1.873) 23.780 6.981 ( 1.548 -0.708 -3.196) 3.621 7.052 ( 0.813 -7.012 -2.458) 7.475 7.882 ( 3.933 19.043 3.173) 19.702 8.174 ( 1.539 12.271 1.455) 12.452 8.583 ( 0.660 5.942 -0.599) 6.009 9.009 ( -0.377 -8.457 5.450) 10.068 9.455 ( 0.562 -9.013 -6.885) 11.356 9.860 ( -0.275 4.294 0.705) 4.360 9.971 ( -13.088 6.045 1.457) 14.490 10.437 ( 8.929 4.400 4.100) 10.765 10.758 ( 0.864 0.366 -4.134) 4.239 11.085 ( -0.827 1.472 4.635) 4.933 11.272 ( 0.458 7.506 5.379) 9.246 12.201 ( -4.038 -5.110 19.884) 20.924 14.248 ( -23.963 3.030 -14.259) 28.049 14.759 ( -25.441 -21.497 19.362) 38.526 15.456 ( -3.786 -5.020 -8.657) 10.700 16.551 ( -62.085 3.433 -23.922) 66.622 17.282 ( -14.698 -23.511 4.672) 28.118 17.827 ( -0.754 -0.797 -0.179) 1.112 18.245 ( 26.292 -11.645 1.357) 28.788 20.175 ( 81.802 17.750 25.553) 87.519 21.680 ( -4.198 8.371 -1.960) 9.567 22.340 ( 0.711 -1.662 1.295) 2.224 ======================= Grid point 20 (16/216) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 3.072 -19.322 -18.635) 27.019 1.144 ( 31.291 -21.513 -6.221) 38.479 1.585 ( 7.810 -14.573 -5.448) 17.408 2.280 ( 7.387 -45.502 -10.400) 47.256 3.008 ( 4.587 2.498 -2.416) 5.755 4.185 ( 8.706 -6.129 3.049) 11.075 4.720 ( 5.022 -12.949 14.211) 19.871 5.393 ( 2.676 -0.186 -22.154) 22.316 5.977 ( -5.713 -12.522 3.493) 14.200 6.334 ( -1.863 1.983 -8.503) 8.928 6.894 ( -2.785 -3.139 0.910) 4.294 6.940 ( 0.379 -1.796 -2.639) 3.215 7.020 ( 31.995 19.638 -3.353) 37.691 7.189 ( 3.347 17.144 6.070) 18.492 8.130 ( 4.412 13.455 1.350) 14.224 8.341 ( 2.360 10.813 0.564) 11.082 8.665 ( -0.168 5.686 0.758) 5.738 8.933 ( -0.555 -9.842 2.093) 10.077 9.248 ( 0.607 -9.865 -4.475) 10.850 9.965 ( -0.636 5.557 4.525) 7.194 10.082 ( -13.681 5.961 1.978) 15.054 10.534 ( 4.437 5.935 -1.149) 7.499 10.712 ( 3.940 -3.518 1.834) 5.591 11.128 ( -3.460 0.232 -0.682) 3.534 11.416 ( 0.062 5.344 2.945) 6.102 12.383 ( -3.773 -5.175 15.187) 16.482 14.023 ( -29.299 -0.911 -16.997) 33.884 14.782 ( -42.457 -33.976 34.550) 64.426 15.375 ( -2.071 -2.646 3.910) 5.155 16.177 ( -64.132 -2.343 -33.550) 72.416 16.974 ( -24.943 -33.660 3.498) 42.040 17.821 ( 0.786 -0.098 0.168) 0.810 18.117 ( 24.584 -9.190 0.298) 26.247 20.901 ( 101.976 39.110 29.595) 113.157 21.755 ( -1.160 7.034 -1.038) 7.205 22.337 ( 0.695 -0.858 0.421) 1.182 ======================= Grid point 21 (17/216) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.399 ( 6.034 -22.893 0.000) 23.675 0.791 ( 29.530 -27.849 0.000) 40.591 1.092 ( 33.999 -39.446 0.000) 52.076 1.896 ( 5.902 -7.176 0.000) 9.292 3.012 ( 4.914 0.999 -0.000) 5.015 4.090 ( 9.141 -5.981 0.000) 10.924 4.768 ( -0.402 -5.888 0.000) 5.902 5.260 ( 12.743 9.514 -0.000) 15.902 5.860 ( -4.168 -7.924 0.000) 8.954 6.291 ( 1.533 1.720 -0.000) 2.304 6.863 ( -2.866 -2.274 0.000) 3.658 6.907 ( 1.526 -0.437 -0.000) 1.588 7.416 ( 2.056 9.516 -0.000) 9.735 7.484 ( 66.957 71.605 -0.000) 98.033 8.278 ( 4.744 7.649 -0.000) 9.001 8.474 ( 3.550 8.442 -0.000) 9.158 8.734 ( -0.561 3.244 -0.000) 3.292 8.827 ( -0.961 -7.765 0.000) 7.824 9.094 ( 0.956 -7.417 0.000) 7.478 10.084 ( -0.876 4.342 -0.000) 4.430 10.160 ( -14.289 3.257 0.000) 14.655 10.571 ( -0.556 4.378 -0.000) 4.414 10.730 ( 10.401 -1.507 -0.000) 10.509 11.033 ( -16.655 -15.465 0.000) 22.728 11.491 ( -0.243 2.726 -0.000) 2.737 12.441 ( -3.120 -3.344 0.000) 4.573 13.867 ( -31.297 -1.639 0.000) 31.340 14.366 (-134.340 -122.251 0.000) 181.638 15.415 ( -28.844 -22.469 0.000) 36.563 15.599 ( -1.070 2.155 -0.000) 2.406 16.549 ( -8.102 -25.756 0.000) 27.000 17.827 ( 1.453 0.639 -0.000) 1.588 18.019 ( 24.924 -5.587 -0.000) 25.543 21.738 ( -2.089 12.207 -0.000) 12.385 22.279 ( 108.786 105.159 -0.000) 151.304 22.321 ( -0.159 -0.867 0.000) 0.881 ======================= Grid point 22 (18/216) ======================= q-point: ( 0.00 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 19.003 -0.000 18.852) 26.768 1.374 ( 6.488 -0.000 36.524) 37.096 1.663 ( 42.648 -0.000 6.042) 43.074 2.113 ( 12.879 -0.000 10.676) 16.729 3.213 ( 11.297 -0.000 5.158) 12.418 4.376 ( 15.432 -0.000 9.835) 18.300 4.403 ( 9.979 -0.000 -18.007) 20.587 5.648 ( -5.817 0.000 -6.139) 8.457 5.682 ( -1.102 -0.000 12.622) 12.670 6.415 ( -0.968 0.000 7.208) 7.273 6.759 ( -5.588 0.000 -2.213) 6.010 6.982 ( 2.050 -0.000 2.468) 3.208 7.346 ( 3.868 -0.000 -10.217) 10.925 8.349 ( 10.736 -0.000 -10.691) 15.151 8.557 ( 21.252 -0.000 -21.227) 30.037 8.643 ( 8.594 -0.000 0.400) 8.604 8.650 ( -0.681 0.000 -5.172) 5.217 8.767 ( 0.240 -0.000 -1.298) 1.320 9.069 ( 1.540 -0.000 0.504) 1.620 9.860 ( -1.590 0.000 -8.224) 8.376 9.951 ( -16.351 0.000 -1.960) 16.468 10.118 ( -2.805 0.000 7.116) 7.649 10.872 ( -2.134 0.000 14.251) 14.410 11.312 ( -0.970 -0.000 10.533) 10.578 11.412 ( -1.211 0.000 -5.926) 6.048 12.152 ( -4.026 0.000 -9.567) 10.380 12.406 ( -2.405 0.000 -3.010) 3.853 13.718 ( -50.491 0.000 23.487) 55.687 15.352 ( -1.036 0.000 4.926) 5.034 15.819 ( -24.758 0.000 7.334) 25.821 16.401 ( -7.066 0.000 8.574) 11.110 17.825 ( 1.163 -0.000 -1.455) 1.863 18.485 ( 38.294 -0.000 4.051) 38.508 21.681 ( -7.556 0.000 -0.637) 7.583 22.075 ( 25.983 -0.000 -28.889) 38.855 22.548 ( 34.652 -0.000 -27.792) 44.421 ======================= Grid point 23 (19/216) ======================= q-point: ( 0.09 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 15.693 10.057 21.279) 28.288 1.785 ( 11.973 3.753 15.658) 20.065 1.825 ( 34.399 9.567 9.377) 36.916 2.449 ( 3.354 14.276 23.140) 27.396 3.275 ( 10.127 -2.647 5.846) 11.989 4.137 ( 15.092 -3.990 -12.843) 20.215 4.622 ( 12.264 11.071 11.793) 20.299 5.576 ( -7.657 3.249 -5.423) 9.929 5.888 ( -9.147 5.857 9.930) 14.717 6.521 ( -0.112 -3.193 9.171) 9.712 6.750 ( -5.552 3.413 -1.957) 6.804 7.013 ( 0.880 0.618 0.200) 1.094 7.169 ( 5.550 -5.845 -6.347) 10.260 7.884 ( 29.627 -24.937 -13.539) 41.024 8.325 ( 9.776 -11.356 -2.395) 15.174 8.482 ( 1.322 -9.833 -2.911) 10.340 8.671 ( -1.739 -4.997 -1.976) 5.648 8.738 ( 3.625 8.001 -2.105) 9.033 9.278 ( 0.759 18.455 1.608) 18.540 9.786 ( -2.593 1.963 -4.378) 5.454 9.888 ( -12.072 -3.477 -0.441) 12.571 10.290 ( -1.024 7.769 0.973) 7.896 11.006 ( -2.179 -4.291 8.844) 10.069 11.264 ( 4.210 -11.591 -1.176) 12.388 11.316 ( 0.968 -4.213 -4.397) 6.166 11.868 ( -2.410 -8.849 -10.649) 14.054 12.895 ( -15.778 53.639 -6.563) 56.295 14.055 ( -54.955 0.830 23.261) 59.681 15.426 ( -1.798 0.210 5.556) 5.843 15.915 ( -34.956 5.805 1.588) 35.471 16.636 ( -8.385 10.734 12.764) 18.667 17.814 ( 0.840 1.246 -0.994) 1.802 18.573 ( 40.728 2.457 6.089) 41.254 21.360 ( 58.254 -12.806 -32.445) 67.899 21.741 ( -2.373 -2.109 -7.410) 8.061 22.384 ( 5.194 -2.554 0.375) 5.800 ======================= Grid point 24 (20/216) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 27.243 6.321 14.854) 31.667 1.993 ( 5.462 2.660 10.308) 11.965 2.184 ( 16.074 12.442 18.376) 27.402 2.999 ( 0.612 27.888 12.781) 30.684 3.288 ( 9.089 -5.051 3.222) 10.886 3.963 ( 17.412 -2.761 -5.324) 18.416 4.968 ( 8.219 13.581 13.268) 20.690 5.596 ( -9.112 8.431 -2.843) 12.736 6.093 ( -11.282 8.622 5.364) 15.179 6.513 ( -5.124 -8.617 -0.837) 10.060 6.765 ( 4.202 -2.752 0.981) 5.118 6.979 ( 1.633 1.969 -0.873) 2.703 7.151 ( 1.121 1.226 5.468) 5.715 7.492 ( 25.862 -16.203 -4.777) 30.890 8.101 ( 8.693 -16.246 -3.168) 18.695 8.302 ( 1.961 -10.901 -2.971) 11.467 8.593 ( -0.235 -1.313 -3.433) 3.683 8.785 ( 3.745 4.926 -4.131) 7.440 9.510 ( -2.458 13.453 -1.150) 13.724 9.786 ( -3.092 1.223 1.405) 3.610 9.907 ( -5.788 2.982 5.707) 8.658 10.344 ( 3.664 1.615 -0.899) 4.104 10.988 ( -2.905 -5.090 -4.232) 7.229 11.082 ( 6.232 -11.686 0.246) 13.246 11.179 ( 2.053 -7.823 -3.224) 8.707 11.659 ( -3.487 -1.633 -9.856) 10.581 13.404 ( -19.638 38.671 -8.645) 44.225 14.350 ( -55.210 -0.925 18.403) 58.204 15.522 ( -7.348 2.949 5.595) 9.695 16.003 ( -41.833 6.571 -1.487) 42.372 16.989 ( -6.615 16.053 11.177) 20.649 17.836 ( 0.467 2.630 0.419) 2.703 18.714 ( 43.702 3.954 8.154) 44.631 20.778 ( 63.378 -15.169 -22.879) 69.067 21.608 ( -7.160 -2.741 -8.096) 11.151 22.392 ( 0.584 -2.874 4.581) 5.439 ======================= Grid point 25 (21/216) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 19.497 4.565 11.812) 23.249 2.151 ( 7.051 4.011 6.443) 10.360 2.520 ( 8.320 0.963 14.067) 16.371 3.187 ( 12.068 -9.859 0.312) 15.586 3.579 ( -0.931 41.225 2.513) 41.312 3.917 ( 16.893 -1.936 2.692) 17.215 5.305 ( 1.652 9.975 11.007) 14.946 5.716 ( -7.188 10.440 1.502) 12.764 6.199 ( -5.604 -7.067 -1.520) 9.146 6.355 ( -6.408 0.147 -0.698) 6.447 6.742 ( 8.197 -2.844 1.603) 8.824 7.029 ( 2.086 1.806 0.104) 2.761 7.201 ( 4.919 -3.573 -0.735) 6.124 7.366 ( 10.111 0.755 4.561) 11.118 7.834 ( 10.136 -17.108 -2.263) 20.014 8.123 ( 3.306 -11.661 -1.057) 12.166 8.540 ( 0.734 1.120 -3.960) 4.180 8.746 ( 3.515 0.430 -6.169) 7.113 9.602 ( -5.396 7.947 -3.711) 10.298 9.840 ( -2.537 0.591 3.279) 4.188 10.110 ( 0.357 6.869 10.916) 12.902 10.337 ( 6.407 0.224 -1.043) 6.496 10.796 ( -0.353 -6.557 -8.292) 10.577 10.951 ( 2.808 -5.306 -5.669) 8.257 11.045 ( 1.980 -9.444 1.309) 9.737 11.553 ( -4.013 0.946 -4.394) 6.025 13.706 ( -20.004 24.408 -6.919) 32.308 14.522 ( -48.461 -4.529 11.817) 50.086 15.655 ( -19.164 6.368 3.938) 20.575 16.036 ( -43.516 3.622 -3.527) 43.809 17.335 ( -4.996 16.414 6.665) 18.407 17.885 ( 0.096 2.294 1.306) 2.642 18.901 ( 46.482 4.409 10.660) 47.892 20.331 ( 59.049 -14.268 -13.523) 62.235 21.457 ( -7.342 -1.401 -8.888) 11.613 22.415 ( -0.031 -3.976 5.052) 6.429 ======================= Grid point 26 (22/216) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -2.146 -1.693 1.383) 3.064 2.327 ( 13.961 2.036 5.939) 15.308 2.603 ( 11.650 1.074 0.045) 11.700 3.024 ( 16.006 -12.182 -2.029) 20.217 3.947 ( 16.099 -4.127 9.235) 19.012 4.220 ( -2.687 45.024 4.230) 45.302 5.465 ( -7.009 -7.013 5.582) 11.378 5.855 ( 3.989 -1.336 4.377) 6.071 6.015 ( -6.709 -3.413 -0.830) 7.573 6.435 ( -3.072 0.725 1.801) 3.635 6.725 ( 10.207 4.234 -3.713) 11.658 6.996 ( 9.807 -1.085 -2.005) 10.068 7.154 ( -4.768 -2.351 -2.293) 5.789 7.467 ( 4.293 5.465 1.524) 7.115 7.619 ( 9.627 -11.527 -0.623) 15.031 7.956 ( 4.256 -13.585 -0.154) 14.237 8.514 ( 2.157 3.082 -4.189) 5.631 8.676 ( 2.198 0.840 -1.893) 3.020 9.645 ( -3.266 6.316 -3.817) 8.070 9.869 ( -5.088 -1.642 1.468) 5.544 10.280 ( 3.616 -2.847 4.325) 6.315 10.335 ( 6.174 5.484 -4.067) 9.205 10.669 ( -0.271 -2.697 2.337) 3.579 10.798 ( 3.872 -3.021 -6.204) 7.913 10.969 ( 0.639 -4.072 0.689) 4.179 11.574 ( -4.531 1.695 4.932) 6.909 13.879 ( -21.669 15.151 -5.692) 27.046 14.576 ( -40.552 -6.936 7.850) 41.883 15.766 ( -28.987 6.539 -1.552) 29.756 16.004 ( -41.625 0.749 -4.744) 41.901 17.588 ( -4.011 13.158 1.398) 13.827 17.911 ( -0.126 -0.940 0.430) 1.041 19.104 ( 45.983 1.027 11.549) 47.422 20.045 ( 56.626 -8.621 -4.353) 57.444 21.347 ( -7.517 1.965 -6.992) 10.453 22.424 ( 0.405 -4.699 4.514) 6.528 ======================= Grid point 27 (23/216) ======================= q-point: (-0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -1.396 -5.951 -6.212) 8.715 2.259 ( -0.284 -6.988 -8.084) 10.690 2.661 ( 18.685 2.405 -0.934) 18.862 2.839 ( 18.611 -5.932 -2.632) 19.710 4.032 ( 15.724 -5.747 12.800) 21.074 4.875 ( -6.118 38.250 8.272) 39.609 5.228 ( -2.606 -32.131 1.120) 32.256 5.838 ( 4.789 -5.684 4.019) 8.449 6.063 ( -10.604 2.483 -0.855) 10.924 6.348 ( 6.750 -7.414 -3.923) 10.766 6.794 ( 10.697 9.067 -2.835) 14.307 7.002 ( 4.817 4.356 -4.454) 7.875 7.051 ( -3.279 -1.556 -1.505) 3.929 7.447 ( 9.609 -8.700 -1.305) 13.028 7.620 ( 1.100 11.881 0.036) 11.932 7.724 ( 3.381 -16.313 -4.665) 17.300 8.493 ( 3.133 3.986 -5.116) 7.202 8.768 ( 0.356 5.058 8.155) 9.603 9.661 ( -1.650 4.904 -4.572) 6.905 9.833 ( -7.528 -3.230 -1.590) 8.344 10.149 ( 2.595 -9.672 -6.803) 12.107 10.348 ( 5.334 6.908 -6.521) 10.894 10.724 ( 3.071 -0.184 3.989) 5.038 10.814 ( 2.938 4.858 7.563) 9.457 10.954 ( 0.998 -1.479 2.265) 2.884 11.722 ( -5.697 0.981 13.170) 14.382 13.952 ( -25.428 8.687 -6.581) 27.665 14.574 ( -37.311 -8.130 6.593) 38.752 15.750 ( -25.883 0.774 -8.050) 27.117 15.952 ( -42.141 2.379 -5.430) 42.556 17.725 ( -3.203 8.816 -2.191) 9.632 17.856 ( -0.194 -6.648 -1.292) 6.775 19.172 ( 39.694 -9.766 5.285) 41.218 20.049 ( 58.592 5.494 9.042) 59.540 21.324 ( -7.553 6.237 -4.227) 10.669 22.418 ( 1.071 -4.883 3.955) 6.374 ======================= Grid point 28 (24/216) ======================= q-point: (-0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( -0.215 -9.424 -10.707) 14.265 2.020 ( 0.328 -4.989 -13.116) 14.036 2.471 ( 21.365 -15.982 -6.205) 27.394 2.897 ( 13.996 9.385 -0.379) 16.856 4.150 ( 15.092 -6.729 15.893) 22.927 4.703 ( 4.088 -44.110 -2.218) 44.354 5.338 ( -9.250 9.541 2.689) 13.558 5.844 ( 6.091 -1.009 4.128) 7.427 6.009 ( -9.928 0.261 -1.644) 10.066 6.241 ( 9.002 1.772 -5.601) 10.749 6.768 ( 2.561 0.615 -10.148) 10.484 6.958 ( 8.920 -0.450 2.234) 9.206 7.111 ( 0.068 -0.465 -2.212) 2.261 7.406 ( 9.246 10.428 -0.997) 13.973 7.428 ( 1.694 -12.769 -6.576) 14.462 7.811 ( 0.987 13.844 1.707) 13.984 8.489 ( 3.084 5.419 -4.291) 7.569 8.970 ( -0.910 2.847 11.217) 11.608 9.644 ( -4.086 2.608 -5.346) 7.217 9.773 ( -6.028 -1.097 -1.657) 6.347 9.907 ( 1.129 -8.289 -9.138) 12.389 10.363 ( 4.227 8.538 -5.646) 11.074 10.797 ( 3.005 1.217 3.537) 4.798 10.981 ( 1.066 -0.264 7.562) 7.641 11.016 ( 3.702 5.109 6.714) 9.213 11.941 ( -7.218 -1.109 17.784) 19.225 13.925 ( -30.610 4.189 -9.668) 32.372 14.545 ( -40.433 -10.734 7.120) 42.435 15.605 ( -14.300 -3.792 -8.202) 16.916 15.894 ( -41.819 3.910 -9.723) 43.112 17.701 ( -0.765 -12.748 -1.736) 12.889 17.780 ( -2.665 4.958 -2.838) 6.304 19.036 ( 34.852 -14.460 0.501) 37.736 20.385 ( 59.162 14.945 17.198) 63.398 21.384 ( -6.819 9.488 -2.708) 11.994 22.407 ( 1.536 -4.667 3.532) 6.051 ======================= Grid point 29 (25/216) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 0.980 -14.424 -13.283) 19.633 1.816 ( 2.806 -0.130 -10.181) 10.561 2.152 ( 25.492 -17.668 -6.680) 31.727 2.996 ( 10.661 7.074 -1.343) 12.865 3.963 ( 7.670 -50.672 -5.345) 51.527 4.336 ( 15.720 -7.645 16.158) 23.804 5.224 ( 2.877 -16.365 -2.412) 16.790 5.716 ( -4.155 -8.025 -9.746) 13.291 6.088 ( -2.957 -1.933 0.505) 3.569 6.376 ( 1.055 16.480 3.889) 16.965 6.622 ( 3.266 2.062 -6.982) 7.979 6.993 ( 3.698 3.396 -5.356) 7.341 7.041 ( 11.187 -0.422 1.733) 11.328 7.184 ( 2.351 -9.609 -3.979) 10.663 7.678 ( 6.527 22.353 1.916) 23.365 8.020 ( 1.057 13.929 1.513) 14.050 8.519 ( 2.201 6.415 -2.738) 7.314 9.097 ( -0.688 -5.254 7.945) 9.550 9.570 ( -0.915 -5.598 -5.011) 7.569 9.715 ( -11.370 1.510 -3.473) 11.984 9.803 ( -0.271 4.540 -1.727) 4.864 10.409 ( 1.484 9.666 -5.683) 11.311 10.834 ( 5.399 -2.871 4.152) 7.392 11.066 ( -0.395 -0.027 5.032) 5.047 11.193 ( 2.840 6.768 5.939) 9.441 12.169 ( -8.598 -3.308 19.053) 21.163 13.789 ( -35.990 0.091 -14.283) 38.721 14.489 ( -49.694 -15.805 10.134) 53.122 15.458 ( -4.474 -4.073 -4.689) 7.654 15.778 ( -34.578 3.486 -13.970) 37.456 17.475 ( -3.698 -19.375 -0.036) 19.725 17.798 ( -1.376 3.179 -2.011) 4.006 18.844 ( 32.690 -13.611 -0.620) 35.416 20.871 ( 54.900 20.857 17.370) 61.244 21.495 ( -1.202 11.772 -1.044) 11.879 22.393 ( 1.523 -4.077 2.811) 5.181 ======================= Grid point 30 (26/216) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 1.741 -19.161 -13.567) 23.542 1.733 ( 6.132 1.548 -4.069) 7.520 1.839 ( 30.590 -17.459 -4.725) 35.537 3.041 ( 10.128 -3.168 -0.234) 10.615 3.169 ( 13.694 -48.026 -6.668) 50.384 4.438 ( 14.041 -7.442 8.611) 18.074 5.014 ( 7.708 -16.904 7.423) 20.007 5.447 ( 2.961 -2.511 -16.418) 16.871 6.052 ( -4.169 -9.551 5.171) 11.634 6.327 ( -1.912 -2.664 -8.531) 9.139 6.827 ( -1.745 10.553 2.787) 11.054 6.956 ( 0.853 1.246 -2.808) 3.188 7.069 ( 3.817 4.906 2.106) 6.563 7.171 ( 22.902 14.721 -2.424) 27.333 7.990 ( 6.106 19.471 1.833) 20.488 8.214 ( 1.736 13.025 0.712) 13.159 8.583 ( 0.691 6.786 -0.740) 6.861 9.059 ( -0.396 -10.069 2.720) 10.437 9.388 ( 0.424 -9.986 -3.887) 10.725 9.782 ( -15.336 7.653 0.763) 17.156 9.878 ( -0.493 6.528 1.578) 6.734 10.446 ( -1.470 8.308 -6.344) 10.556 10.858 ( 7.468 -3.909 6.269) 10.505 11.095 ( -2.513 -1.576 -0.143) 2.970 11.345 ( 1.422 6.260 3.218) 7.181 12.362 ( -9.068 -4.541 15.255) 18.318 13.551 ( -39.974 -4.181 -14.309) 42.663 14.381 ( -66.684 -24.933 10.799) 72.007 15.377 ( -2.801 -3.467 0.023) 4.457 15.619 ( -17.057 3.332 -14.045) 22.345 17.184 ( -7.730 -26.042 0.987) 27.183 17.815 ( 0.139 2.134 -0.621) 2.226 18.669 ( 32.377 -11.201 -0.635) 34.266 21.326 ( 16.822 18.335 4.984) 25.377 21.757 ( 37.738 25.787 9.341) 46.651 22.374 ( 1.077 -3.014 1.116) 3.389 ======================= Grid point 31 (27/216) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 4.406 -21.296 0.000) 21.747 1.548 ( 30.476 -22.848 0.000) 38.089 1.705 ( 12.344 -3.250 -0.000) 12.765 2.429 ( 22.784 -42.991 0.000) 48.655 3.094 ( 10.528 2.888 -0.000) 10.917 4.366 ( 15.244 -8.569 0.000) 17.487 4.909 ( 2.805 -13.693 0.000) 13.977 5.330 ( 11.922 6.097 -0.000) 13.390 5.931 ( -5.249 -12.958 0.000) 13.981 6.276 ( 0.609 3.113 -0.000) 3.172 6.848 ( -4.729 -3.325 0.000) 5.781 6.938 ( 2.075 0.043 -0.000) 2.075 7.284 ( 4.178 16.030 -0.000) 16.566 7.467 ( 33.062 36.162 -0.000) 48.997 8.223 ( 7.042 13.800 -0.000) 15.493 8.383 ( 2.542 11.758 -0.000) 12.030 8.666 ( -0.375 5.709 -0.000) 5.722 8.939 ( -0.363 -10.155 0.000) 10.162 9.226 ( 0.845 -9.740 0.000) 9.777 9.882 ( -16.609 5.649 0.000) 17.544 9.994 ( -0.888 6.852 -0.000) 6.909 10.479 ( -2.972 5.637 -0.000) 6.372 10.898 ( 11.078 -0.691 -0.000) 11.099 11.006 ( -10.133 -9.319 0.000) 13.767 11.440 ( 0.272 4.515 -0.000) 4.523 12.422 ( -8.065 -4.559 0.000) 9.264 13.365 ( -43.694 -5.382 0.000) 44.024 14.005 ( -78.443 -48.829 0.000) 92.399 15.335 ( -7.174 -4.028 0.000) 8.227 15.555 ( 0.853 4.088 -0.000) 4.176 16.811 ( -8.900 -30.225 0.000) 31.508 17.835 ( 1.240 1.263 -0.000) 1.769 18.536 ( 33.640 -7.936 -0.000) 34.564 21.513 ( -9.174 9.368 -0.000) 13.112 22.339 ( -0.459 -2.593 0.000) 2.633 22.401 ( 57.752 52.383 -0.000) 77.970 ======================= Grid point 32 (28/216) ======================= q-point: (-0.09 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 10.054 -5.628 30.236) 32.357 1.239 ( 20.575 -33.486 14.574) 41.917 1.647 ( 31.284 -6.599 3.125) 32.124 2.099 ( 22.717 -12.180 3.095) 25.962 3.144 ( 11.337 1.711 2.873) 11.820 4.297 ( 16.221 -3.364 2.963) 16.829 4.673 ( 5.566 -6.405 -12.671) 15.250 5.495 ( 6.665 3.768 9.892) 12.509 5.770 ( -5.225 -7.616 -2.718) 9.628 6.337 ( -0.214 1.224 3.492) 3.706 6.800 ( -4.743 -2.252 -1.253) 5.398 6.952 ( 2.565 -0.220 1.957) 3.234 7.408 ( 3.324 8.658 -6.287) 11.204 8.175 ( 34.649 67.941 -5.602) 76.472 8.364 ( 8.489 9.836 -0.532) 13.004 8.526 ( 3.594 10.519 -0.615) 11.133 8.713 ( -0.424 2.510 -1.757) 3.093 8.800 ( -0.268 -9.078 -1.516) 9.208 9.154 ( 2.124 -6.405 5.193) 8.515 9.921 ( -16.476 2.751 -2.350) 16.868 10.000 ( -2.174 2.299 -7.549) 8.185 10.522 ( -5.858 -28.424 -17.064) 33.667 10.648 ( -3.477 1.810 11.681) 12.321 11.081 ( 0.097 0.417 14.201) 14.207 11.462 ( -0.694 2.312 -3.325) 4.109 12.257 ( -6.616 -1.013 -14.121) 15.627 13.088 ( -39.623 -71.510 -6.007) 81.975 13.442 ( -46.171 -2.901 17.496) 49.460 15.307 ( -2.181 -1.461 2.237) 3.449 15.684 ( -10.427 0.901 10.853) 15.077 16.462 ( -6.321 -19.629 1.240) 20.659 17.841 ( 1.407 0.207 -0.652) 1.565 18.469 ( 35.956 -3.803 1.721) 36.197 21.622 ( -11.907 5.015 2.157) 13.099 22.274 ( 1.689 0.027 -6.749) 6.957 22.862 ( 46.423 42.695 -37.390) 73.321 ======================= Grid point 33 (29/216) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 15.958 -0.000 15.950) 22.562 1.846 ( 7.812 -0.000 15.512) 17.368 2.192 ( 9.336 -0.000 22.915) 24.744 2.608 ( 35.375 -0.000 7.645) 36.192 3.476 ( 15.623 -0.000 4.626) 16.294 4.376 ( 15.435 -0.000 -11.420) 19.200 4.761 ( 17.636 -0.000 11.384) 20.991 5.463 ( -6.754 0.000 -7.236) 9.898 5.726 ( -6.939 0.000 2.961) 7.545 6.587 ( 4.191 -0.000 12.590) 13.269 6.622 ( -7.377 0.000 -4.487) 8.634 7.024 ( 1.354 -0.000 -0.505) 1.445 7.282 ( 4.757 -0.000 -7.004) 8.466 8.266 ( 1.211 0.000 -12.663) 12.721 8.537 ( 0.190 0.000 -3.185) 3.190 8.603 ( 6.441 -0.000 -8.204) 10.430 8.782 ( 10.149 -0.000 0.367) 10.155 8.796 ( 11.969 -0.000 -6.261) 13.508 9.089 ( 0.699 -0.000 -0.253) 0.743 9.722 ( -13.478 0.000 -0.364) 13.483 9.754 ( -1.317 0.000 -3.442) 3.685 10.196 ( -2.508 0.000 9.483) 9.809 10.995 ( -3.271 0.000 6.345) 7.138 11.316 ( -1.087 0.000 -3.469) 3.635 11.416 ( 1.677 -0.000 3.209) 3.621 12.034 ( -1.219 0.000 -0.535) 1.332 12.320 ( -2.868 0.000 -3.830) 4.785 13.271 ( -52.544 0.000 16.814) 55.168 15.414 ( -1.004 0.000 5.855) 5.941 15.550 ( -15.802 0.000 -4.538) 16.441 16.456 ( -5.614 0.000 11.890) 13.149 17.819 ( 1.250 -0.000 -1.797) 2.189 19.115 ( 38.171 -0.000 8.774) 39.166 21.542 ( -12.101 0.000 -0.512) 12.112 22.008 ( 11.309 -0.000 -17.535) 20.865 22.637 ( 24.746 -0.000 -19.643) 31.594 ======================= Grid point 34 (30/216) ======================= q-point: ( 0.09 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 10.685 12.159 17.526) 23.857 2.012 ( 4.755 4.859 8.743) 11.075 2.474 ( 26.839 2.367 13.011) 29.920 2.819 ( 12.845 7.247 13.684) 20.119 3.511 ( 13.860 -3.471 3.360) 14.678 4.250 ( 18.615 -1.327 -4.690) 19.242 4.985 ( 13.327 6.588 13.090) 19.808 5.401 ( -6.624 4.748 -4.676) 9.396 5.812 ( -11.827 7.151 2.023) 13.969 6.525 ( -6.807 -4.110 -3.566) 8.715 6.783 ( 2.668 2.596 9.413) 10.122 6.999 ( 1.324 0.304 -3.162) 3.442 7.203 ( 3.477 -3.049 0.217) 4.630 7.990 ( 12.762 -11.998 -11.697) 21.062 8.418 ( 2.789 -5.072 -6.664) 8.827 8.462 ( 11.055 -11.266 -2.523) 15.985 8.626 ( 0.513 -7.075 -1.860) 7.333 8.814 ( 8.343 2.925 -0.540) 8.857 9.261 ( -1.773 17.800 -2.671) 18.086 9.736 ( -8.652 1.882 4.035) 9.730 9.753 ( -1.908 3.041 -0.514) 3.626 10.337 ( -0.902 1.311 7.189) 7.363 10.970 ( -4.563 -1.283 -6.858) 8.337 11.281 ( 1.464 -5.748 2.724) 6.527 11.375 ( 5.810 -8.913 0.292) 10.644 11.749 ( 0.468 -20.226 -4.540) 20.735 12.675 ( -9.805 36.453 -0.887) 37.759 13.510 ( -58.050 3.025 14.131) 59.822 15.459 ( -6.502 -1.772 2.131) 7.068 15.531 ( -16.388 2.862 -0.773) 16.654 16.707 ( -6.142 11.706 11.303) 17.393 17.812 ( 0.655 1.791 -0.675) 2.023 19.266 ( 39.508 1.371 11.566) 41.189 21.464 ( -6.738 -4.013 -7.017) 10.523 21.668 ( 29.280 -4.013 -24.891) 38.639 22.483 ( 7.563 -4.027 0.544) 8.586 ======================= Grid point 35 (31/216) ======================= q-point: ( 0.18 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( -0.160 0.122 7.770) 7.773 2.415 ( 16.655 8.816 16.345) 24.945 2.666 ( 22.569 4.602 8.850) 24.675 3.107 ( 0.713 23.279 0.807) 23.304 3.476 ( 14.037 -6.319 1.385) 15.456 4.217 ( 20.284 -2.219 3.149) 20.646 5.248 ( 5.465 6.167 10.965) 13.716 5.483 ( -4.844 10.730 1.609) 11.882 5.959 ( -12.383 12.216 0.493) 17.402 6.403 ( -4.297 -7.282 -3.013) 8.976 6.873 ( 4.550 -1.953 2.557) 5.572 6.990 ( -0.092 1.834 0.949) 2.067 7.208 ( -1.307 -0.529 2.127) 2.552 7.703 ( 16.028 -11.481 -6.138) 20.649 8.218 ( 13.210 -14.795 -3.238) 20.096 8.298 ( 2.974 -7.931 -1.140) 8.546 8.543 ( 1.109 -0.888 -3.480) 3.758 8.812 ( 6.577 -0.117 -3.272) 7.347 9.398 ( -6.236 10.044 -3.197) 12.247 9.802 ( -1.415 2.097 1.682) 3.038 9.925 ( -3.908 14.241 6.271) 16.044 10.421 ( 2.289 -2.329 6.163) 6.975 10.823 ( -3.275 -1.420 -10.430) 11.024 11.181 ( 7.018 -15.707 -2.814) 17.432 11.211 ( 3.324 -11.382 2.164) 12.053 11.524 ( -2.394 -4.786 -3.010) 6.140 13.087 ( -16.572 27.259 -1.596) 31.941 13.724 ( -59.435 3.851 9.743) 60.351 15.468 ( -12.361 0.435 0.920) 12.403 15.557 ( -16.336 0.854 0.165) 16.359 17.033 ( -5.514 17.290 6.689) 19.342 17.848 ( 0.079 3.066 0.818) 3.174 19.467 ( 40.135 2.052 13.799) 42.490 21.193 ( 32.592 -11.375 -15.855) 37.987 21.363 ( -2.010 -0.056 -14.054) 14.197 22.483 ( 1.488 -5.108 6.546) 8.436 ======================= Grid point 36 (32/216) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -1.652 -1.298 3.692) 4.248 2.568 ( 9.875 -9.043 4.990) 14.290 2.780 ( 20.198 4.412 1.199) 20.709 3.380 ( 14.917 -7.603 -0.618) 16.754 3.586 ( -1.526 43.154 2.319) 43.243 4.265 ( 20.689 -3.461 8.840) 22.763 5.426 ( -2.872 0.552 8.020) 8.537 5.682 ( -6.546 10.197 4.824) 13.042 6.114 ( -5.110 5.239 -0.354) 7.327 6.298 ( -0.589 -1.152 1.683) 2.122 6.853 ( 6.108 -2.650 -0.568) 6.682 7.031 ( -2.327 1.183 0.913) 2.766 7.182 ( -0.399 -1.875 -4.759) 5.131 7.539 ( 10.955 -4.022 -2.352) 11.905 7.973 ( 12.755 -15.675 -2.456) 20.358 8.195 ( 5.878 -10.442 2.155) 12.175 8.505 ( 2.767 2.492 -3.144) 4.874 8.726 ( 3.831 -2.447 -4.860) 6.654 9.482 ( -5.594 8.185 -1.656) 10.052 9.829 ( -3.760 -0.683 0.244) 3.830 10.192 ( 0.490 16.213 -1.071) 16.255 10.446 ( 4.141 -5.840 4.262) 8.331 10.692 ( -0.642 -1.390 -2.161) 2.648 10.945 ( 5.212 -10.736 -4.007) 12.589 11.069 ( 1.085 -9.044 -1.343) 9.208 11.511 ( -2.607 -0.617 5.203) 5.852 13.347 ( -22.253 16.525 -2.597) 27.839 13.873 ( -57.502 2.890 5.219) 57.811 15.485 ( -10.781 0.660 -0.140) 10.802 15.559 ( -20.936 -0.048 -0.155) 20.937 17.321 ( -4.604 17.751 0.765) 18.354 17.900 ( -0.258 1.951 1.120) 2.264 19.684 ( 38.760 0.661 13.770) 41.139 20.856 ( 39.406 -9.695 -10.406) 41.894 21.206 ( -6.968 2.236 -10.788) 13.036 22.506 ( 0.730 -6.518 7.594) 10.034 ======================= Grid point 37 (33/216) ======================= q-point: (-0.64 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( -1.425 -4.743 -2.058) 5.363 2.367 ( -1.196 -10.247 -11.063) 15.126 2.878 ( 23.248 5.996 1.805) 24.077 3.229 ( 17.559 -10.859 -2.994) 20.861 4.227 ( -2.760 38.873 4.410) 39.220 4.379 ( 18.225 0.645 14.720) 23.436 5.458 ( -6.027 -12.960 6.955) 15.895 5.845 ( -12.386 5.287 2.561) 13.708 6.051 ( 7.832 -10.087 3.408) 13.218 6.438 ( 1.432 8.836 1.330) 9.050 6.791 ( 6.364 1.504 -4.826) 8.127 7.020 ( -6.303 -3.684 -2.230) 7.633 7.075 ( 8.335 1.677 -6.456) 10.675 7.519 ( 3.208 6.090 -3.615) 7.774 7.745 ( 10.442 -14.146 -1.302) 17.630 8.017 ( 6.039 -17.452 -2.167) 18.594 8.504 ( 5.482 3.057 -3.824) 7.350 8.704 ( -0.012 4.040 2.831) 4.934 9.553 ( -3.280 5.952 -2.372) 7.198 9.787 ( -5.745 -2.892 -2.305) 6.833 10.251 ( 0.486 7.175 -11.181) 13.294 10.350 ( 4.033 -7.372 -4.359) 9.467 10.782 ( 4.004 5.149 0.176) 6.525 10.825 ( 3.597 -4.610 10.422) 11.951 10.993 ( 0.485 -3.285 2.512) 4.164 11.631 ( -5.305 0.349 11.759) 12.905 13.458 ( -27.503 8.023 -4.633) 29.022 13.944 ( -55.137 0.641 1.746) 55.168 15.472 ( -9.732 1.097 -3.180) 10.297 15.557 ( -20.027 -1.382 1.054) 20.103 17.517 ( -3.697 15.162 -3.752) 16.051 17.909 ( -0.451 -2.206 -0.077) 2.253 19.800 ( 33.978 -7.064 6.559) 35.319 20.715 ( 39.245 0.124 1.329) 39.268 21.137 ( -4.507 6.479 -7.027) 10.568 22.517 ( 1.240 -7.502 7.407) 10.616 ======================= Grid point 38 (34/216) ======================= q-point: (-0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -0.611 -7.616 -10.326) 12.846 2.086 ( -2.105 -6.548 -11.958) 13.795 2.928 ( 21.048 -5.329 -1.940) 21.799 3.058 ( 17.966 -1.811 -2.829) 18.277 4.464 ( 17.632 -3.188 13.114) 22.204 4.900 ( -6.345 32.080 8.935) 33.900 5.243 ( -0.857 -31.615 4.519) 31.948 5.874 ( -10.012 -0.050 -1.092) 10.072 6.016 ( 6.559 -7.242 5.894) 11.411 6.420 ( 11.900 -4.367 -4.342) 13.399 6.771 ( -1.811 1.338 -8.670) 8.958 6.988 ( 1.949 7.597 0.357) 7.852 7.051 ( 5.165 7.177 -6.530) 10.992 7.486 ( 0.413 -2.915 -6.143) 6.812 7.638 ( 4.633 -5.590 -2.334) 7.626 7.743 ( 6.815 -7.438 -1.490) 10.198 8.489 ( 6.090 3.544 -4.063) 8.133 8.874 ( -2.850 7.153 8.648) 11.579 9.559 ( -3.189 1.057 -3.934) 5.174 9.719 ( -4.482 -0.609 -2.780) 5.310 10.069 ( 2.560 -10.486 -9.834) 14.602 10.251 ( -1.889 8.289 -9.738) 12.927 10.821 ( 5.741 4.655 1.573) 7.557 11.017 ( 2.865 -1.006 8.731) 9.244 11.032 ( 2.772 0.708 9.742) 10.153 11.829 ( -9.155 0.159 15.721) 18.193 13.438 ( -31.486 1.917 -7.470) 32.417 13.939 ( -54.882 -2.747 -0.429) 54.953 15.438 ( -8.887 2.252 -4.523) 10.223 15.543 ( -13.935 -3.200 0.938) 14.328 17.629 ( -2.708 11.777 -5.202) 13.157 17.830 ( -1.100 -8.328 -1.282) 8.497 19.682 ( 30.353 -13.729 -1.133) 33.333 20.866 ( 24.591 8.560 7.553) 27.112 21.204 ( 10.657 12.926 -0.255) 16.754 22.513 ( 1.673 -7.836 6.571) 10.362 ======================= Grid point 39 (35/216) ======================= q-point: (-0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -0.301 -10.819 -9.331) 14.290 1.844 ( 0.341 -1.802 -12.319) 12.455 2.704 ( 23.200 -14.141 -5.638) 27.748 3.098 ( 15.773 5.866 -0.706) 16.843 4.571 ( 13.222 -15.426 11.913) 23.552 4.790 ( 9.466 -34.195 2.670) 35.581 5.274 ( -4.070 8.252 3.081) 9.703 5.817 ( -6.935 -9.582 -2.431) 12.075 6.031 ( 5.916 3.316 4.320) 8.041 6.340 ( 11.861 1.841 -1.995) 12.168 6.639 ( 1.024 0.995 -9.494) 9.601 6.978 ( 1.519 3.176 -8.879) 9.552 7.140 ( -0.740 0.786 3.361) 3.530 7.355 ( 0.363 -10.009 -5.814) 11.581 7.515 ( 9.008 13.557 -1.785) 16.374 7.856 ( 2.290 12.315 1.359) 12.599 8.491 ( 5.014 4.529 -3.326) 7.531 9.087 ( -4.054 3.999 9.858) 11.384 9.487 ( -6.118 -1.620 -4.301) 7.652 9.705 ( -1.943 0.705 -1.662) 2.652 9.796 ( 1.505 -7.391 -9.315) 11.986 10.257 ( -3.662 10.341 -8.004) 13.580 10.917 ( 5.585 3.053 3.678) 7.351 11.076 ( 0.167 -1.915 5.285) 5.624 11.195 ( 5.424 1.896 8.268) 10.069 12.051 ( -12.626 -1.248 16.723) 20.991 13.308 ( -33.903 -2.905 -10.200) 35.523 13.865 ( -56.302 -6.820 -0.855) 56.720 15.417 ( -4.320 2.896 -3.269) 6.143 15.495 ( -9.140 -3.933 -0.882) 9.990 17.658 ( -2.757 -14.630 -1.233) 14.938 17.700 ( -1.505 8.592 -3.879) 9.546 19.466 ( 29.525 -13.944 -2.413) 32.741 21.040 ( -3.361 8.957 0.429) 9.576 21.506 ( 36.975 21.363 9.792) 43.811 22.491 ( 1.413 -7.511 4.887) 9.072 ======================= Grid point 40 (36/216) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -0.269 -18.148 -9.588) 20.527 1.759 ( 4.279 5.326 -5.000) 8.466 2.450 ( 27.325 -13.705 -3.905) 30.817 3.163 ( 14.737 5.344 -0.674) 15.691 4.052 ( 10.965 -51.478 -1.448) 52.653 4.750 ( 15.668 -7.221 9.433) 19.663 5.298 ( 7.240 -5.682 4.051) 10.056 5.574 ( 2.096 -12.680 -8.459) 15.386 6.110 ( 0.671 -1.761 4.438) 4.821 6.334 ( -1.803 -4.065 -6.216) 7.642 6.655 ( 7.426 16.866 -1.194) 18.467 6.924 ( -1.544 3.191 -3.633) 5.076 7.109 ( -1.487 -5.677 -0.443) 5.885 7.269 ( 10.057 6.063 -1.009) 11.786 7.785 ( 6.246 23.547 0.394) 24.365 8.047 ( 0.377 13.864 0.722) 13.888 8.520 ( 2.734 5.439 -1.832) 6.357 9.186 ( 0.524 -7.784 5.780) 9.710 9.461 ( -11.935 5.550 -1.600) 13.259 9.533 ( -1.952 -9.173 -5.467) 10.855 9.787 ( 0.133 6.765 -0.194) 6.769 10.290 ( -4.534 9.025 -5.993) 11.744 10.987 ( 5.349 -1.356 4.944) 7.409 11.098 ( -0.719 -1.902 0.680) 2.144 11.314 ( 4.122 3.453 3.945) 6.669 12.241 ( -15.421 -2.708 13.673) 20.787 13.091 ( -35.240 -7.363 -10.476) 37.495 13.736 ( -57.209 -11.851 -0.218) 58.424 15.394 ( -3.037 -5.172 -0.227) 6.002 15.456 ( -2.109 4.882 -2.761) 5.992 17.407 ( -5.604 -21.379 -0.406) 22.105 17.762 ( 0.136 6.340 -1.567) 6.532 19.265 ( 30.175 -11.968 -1.527) 32.498 21.143 ( -11.399 8.745 -1.686) 14.466 21.982 ( 42.114 28.573 9.609) 51.791 22.448 ( 0.438 -6.456 2.211) 6.839 ======================= Grid point 41 (37/216) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 2.298 -19.367 0.000) 19.503 1.804 ( 7.395 5.322 -0.000) 9.111 2.231 ( 29.990 -16.097 0.000) 34.037 3.225 ( 15.182 4.864 -0.000) 15.942 3.354 ( 17.682 -49.489 0.000) 52.553 4.706 ( 16.620 -8.080 0.000) 18.480 5.205 ( 6.817 -19.606 0.000) 20.757 5.420 ( 11.727 5.668 -0.000) 13.025 6.065 ( -2.223 -15.392 0.000) 15.552 6.224 ( -1.431 3.600 -0.000) 3.874 6.809 ( -2.404 2.185 -0.000) 3.249 6.944 ( 0.574 2.682 -0.000) 2.743 7.145 ( 4.139 12.372 -0.000) 13.046 7.436 ( 16.237 21.241 -0.000) 26.736 8.087 ( 5.723 20.469 -0.000) 21.254 8.234 ( 0.297 13.567 -0.000) 13.571 8.584 ( 0.337 5.890 -0.000) 5.900 9.086 ( 2.181 -10.607 0.000) 10.829 9.362 ( 0.055 -9.705 0.000) 9.705 9.560 ( -16.809 7.409 -0.000) 18.369 9.891 ( -0.036 7.420 -0.000) 7.420 10.343 ( -4.889 6.759 -0.000) 8.341 11.009 ( -6.069 -8.359 0.000) 10.330 11.043 ( 8.992 0.484 -0.000) 9.005 11.393 ( 1.862 4.129 -0.000) 4.530 12.312 ( -16.130 -3.520 0.000) 16.510 12.881 ( -37.764 -9.835 0.000) 39.023 13.530 ( -52.839 -19.838 0.000) 56.440 15.318 ( -3.871 -4.703 0.000) 6.091 15.515 ( 2.545 5.691 -0.000) 6.234 17.080 ( -7.854 -27.554 0.000) 28.652 17.821 ( 1.364 3.871 -0.000) 4.104 19.113 ( 31.888 -9.178 -0.000) 33.183 21.239 ( -13.527 8.022 -0.000) 15.727 22.379 ( -1.581 -5.573 0.000) 5.793 22.493 ( 39.334 36.132 -0.000) 53.410 ======================= Grid point 42 (38/216) ======================= q-point: (-0.18 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 7.667 -10.282 22.892) 26.240 1.867 ( 10.478 0.411 1.580) 10.604 1.998 ( 24.295 -26.057 7.850) 36.481 2.818 ( 28.439 -29.936 1.292) 41.311 3.302 ( 16.317 4.052 2.429) 16.987 4.594 ( 18.592 -3.961 -3.161) 19.270 4.927 ( 10.504 -14.574 -5.030) 18.656 5.533 ( 6.100 3.901 3.053) 7.858 5.852 ( -2.272 -12.969 -0.675) 13.184 6.310 ( -0.971 2.280 4.485) 5.124 6.775 ( -4.420 -3.984 -0.783) 6.002 6.986 ( 2.393 0.944 2.041) 3.284 7.305 ( 4.116 14.075 -5.177) 15.551 7.857 ( 17.374 38.320 1.865) 42.116 8.312 ( 7.022 15.292 -1.293) 16.877 8.408 ( 2.331 13.280 -0.403) 13.489 8.657 ( -0.441 4.700 -0.574) 4.755 8.943 ( 3.243 -8.971 -1.213) 9.616 9.279 ( 1.639 -8.054 5.479) 9.878 9.635 ( -17.144 4.741 -1.078) 17.821 9.931 ( -1.964 3.551 -5.428) 6.777 10.510 ( -3.818 6.984 10.386) 13.085 10.751 ( -5.935 -17.641 -10.566) 21.402 11.111 ( 5.465 1.622 6.197) 8.420 11.416 ( -0.153 3.295 -3.847) 5.067 12.145 ( -13.429 -2.514 -14.277) 19.761 12.870 ( -42.402 -8.418 12.878) 45.107 13.200 ( -36.186 -30.210 1.215) 47.154 15.288 ( -3.141 -1.964 2.376) 4.401 15.586 ( -0.681 3.804 0.526) 3.900 16.701 ( -7.246 -28.854 1.263) 29.777 17.855 ( 1.788 1.290 -0.197) 2.214 19.029 ( 34.240 -5.751 2.341) 34.799 21.359 ( -14.201 6.727 3.080) 16.013 22.289 ( -2.306 -3.300 -4.142) 5.776 22.878 ( 32.174 35.134 -16.168) 50.308 ======================= Grid point 43 (39/216) ======================= q-point: (-0.09 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 12.511 0.555 28.551) 31.176 1.719 ( 16.011 -25.674 15.502) 33.997 1.982 ( 8.808 -2.353 10.286) 13.745 2.599 ( 37.821 -9.233 2.603) 39.018 3.395 ( 16.725 2.750 4.054) 17.428 4.515 ( 15.748 2.594 -9.016) 18.331 4.723 ( 16.339 -11.244 2.948) 20.052 5.551 ( -4.482 0.924 -4.905) 6.708 5.736 ( -1.028 -7.781 3.392) 8.550 6.417 ( 1.723 2.372 7.640) 8.183 6.702 ( -5.289 -3.805 -2.080) 6.839 7.017 ( 2.542 -0.184 1.598) 3.008 7.350 ( 3.893 7.346 -8.643) 11.992 8.281 ( -0.349 22.015 -8.018) 23.432 8.491 ( 4.763 11.083 -0.105) 12.063 8.606 ( 13.687 23.878 -2.797) 27.664 8.675 ( 1.869 3.479 -4.969) 6.347 8.827 ( 6.750 -6.214 -0.489) 9.188 9.266 ( 3.079 -10.258 3.900) 11.398 9.673 ( -15.044 4.560 -0.218) 15.721 9.856 ( -3.219 -1.208 -6.799) 7.619 10.284 ( -4.300 -23.434 -5.328) 24.413 10.802 ( -3.189 4.767 14.896) 15.962 11.267 ( 3.553 6.578 7.865) 10.851 11.379 ( -1.493 1.962 -6.022) 6.507 11.972 ( -5.707 7.238 -11.793) 14.968 12.690 ( -18.518 -33.689 -0.273) 38.444 13.066 ( -42.702 -6.089 17.106) 46.402 15.331 ( -1.830 0.367 4.878) 5.223 15.607 ( -8.806 0.324 -2.169) 9.075 16.432 ( -5.063 -17.227 6.736) 19.177 17.848 ( 1.648 -0.377 -1.423) 2.209 19.030 ( 36.457 -2.356 5.557) 36.953 21.486 ( -13.829 4.057 3.870) 14.923 22.177 ( -0.767 -0.876 -8.283) 8.364 22.908 ( 29.862 18.130 -30.138) 46.138 ======================= Grid point 44 (40/216) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 11.104 -0.000 11.169) 15.749 2.063 ( 5.202 -0.000 5.114) 7.294 2.606 ( 2.487 -0.000 23.047) 23.181 3.156 ( 28.435 -0.000 4.189) 28.742 3.742 ( 14.757 -0.000 1.950) 14.886 4.510 ( 17.936 -0.000 -3.381) 18.252 5.147 ( 14.590 -0.000 9.439) 17.377 5.284 ( -4.622 0.000 -5.157) 6.925 5.610 ( -10.214 0.000 -1.597) 10.338 6.440 ( -7.750 0.000 -5.985) 9.792 6.811 ( 3.241 -0.000 10.175) 10.678 7.009 ( 0.750 -0.000 -3.030) 3.121 7.279 ( 3.304 -0.000 -2.324) 4.039 8.107 ( -4.222 0.000 -4.672) 6.297 8.452 ( -0.577 0.000 -8.181) 8.201 8.598 ( 2.482 -0.000 -2.089) 3.244 8.907 ( 15.560 -0.000 -6.695) 16.940 8.921 ( 9.005 -0.000 -0.146) 9.006 9.079 ( -0.723 0.000 -0.812) 1.087 9.569 ( -10.057 0.000 1.624) 10.187 9.732 ( -0.589 0.000 1.647) 1.749 10.310 ( -0.675 -0.000 10.240) 10.263 10.911 ( -4.683 0.000 -8.317) 9.545 11.330 ( -0.067 -0.000 4.790) 4.790 11.472 ( 3.370 -0.000 1.543) 3.707 12.089 ( 2.793 -0.000 4.612) 5.392 12.230 ( -2.425 0.000 -3.448) 4.215 12.760 ( -43.236 0.000 7.653) 43.908 15.282 ( -10.302 0.000 -6.669) 12.272 15.478 ( -0.694 0.000 4.798) 4.848 16.554 ( -3.096 0.000 10.216) 10.674 17.811 ( 0.948 -0.000 -1.535) 1.804 19.761 ( 32.442 -0.000 12.463) 34.754 21.308 ( -14.792 0.000 -6.685) 16.233 21.929 ( 4.522 -0.000 -9.236) 10.284 22.689 ( 14.176 -0.000 -11.959) 18.547 ======================= Grid point 45 (41/216) ======================= q-point: ( 0.09 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 1.164 -0.095 5.255) 5.383 2.307 ( 7.166 22.257 10.698) 25.713 2.833 ( 2.543 -0.071 8.778) 9.139 3.187 ( 22.250 -3.184 2.287) 22.593 3.740 ( 13.941 -3.003 1.055) 14.300 4.510 ( 18.677 -0.391 3.401) 18.988 5.238 ( -2.014 4.560 0.638) 5.026 5.354 ( 6.574 5.422 7.842) 11.580 5.643 ( -12.788 7.551 -0.698) 14.867 6.365 ( -6.681 0.029 -4.088) 7.833 6.921 ( 1.341 -0.064 4.720) 4.907 6.982 ( 0.578 0.871 -0.954) 1.415 7.240 ( 0.764 -4.148 0.520) 4.250 7.984 ( 5.469 -6.975 -5.737) 10.558 8.346 ( 0.248 -0.184 -5.362) 5.371 8.537 ( 4.860 -4.311 -3.302) 7.288 8.706 ( 13.301 -13.119 -1.116) 18.716 8.921 ( 7.546 -0.443 -0.965) 7.621 9.183 ( -4.098 10.103 -1.659) 11.028 9.657 ( -6.993 9.156 2.620) 11.816 9.781 ( -1.088 2.349 3.215) 4.128 10.450 ( 0.598 0.318 8.891) 8.917 10.772 ( -4.194 0.503 -10.685) 11.490 11.331 ( 1.316 -6.167 0.432) 6.320 11.468 ( 5.270 -4.586 2.479) 7.413 11.735 ( 2.831 -29.202 -1.857) 29.398 12.564 ( -8.608 25.381 1.453) 26.841 12.903 ( -44.458 7.566 5.062) 45.380 15.232 ( -12.720 0.963 -1.454) 12.839 15.511 ( -1.130 -2.060 1.772) 2.942 16.757 ( -4.519 12.218 5.995) 14.340 17.815 ( 0.202 1.970 0.207) 1.991 19.953 ( 31.920 0.632 14.359) 35.006 21.168 ( -14.474 -1.136 -11.333) 18.418 21.737 ( 19.114 -3.127 -15.055) 24.531 22.597 ( 5.082 -4.677 3.001) 7.531 ======================= Grid point 46 (42/216) ======================= q-point: ( 0.18 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -1.578 -0.898 4.001) 4.394 2.744 ( 3.874 -0.956 3.977) 5.633 2.897 ( 1.611 25.945 -0.922) 26.011 3.174 ( 14.952 3.704 -0.324) 15.407 3.697 ( 14.197 -5.305 0.462) 15.162 4.581 ( 19.075 -1.096 7.927) 20.686 5.345 ( -5.220 5.315 4.121) 8.513 5.515 ( -2.751 3.262 6.255) 7.572 5.806 ( -8.457 16.889 0.586) 18.897 6.339 ( -2.070 -0.028 0.435) 2.115 6.936 ( 2.233 -1.186 -0.258) 2.541 7.006 ( -0.594 0.187 1.967) 2.063 7.178 ( -2.613 -4.628 -1.010) 5.410 7.789 ( 9.260 -8.540 -6.840) 14.334 8.288 ( 5.232 -3.916 -3.555) 7.439 8.393 ( 7.603 -9.515 0.344) 12.184 8.588 ( 10.010 -5.067 0.581) 11.234 8.846 ( 4.418 -6.069 -3.869) 8.445 9.288 ( -6.074 8.178 0.355) 10.193 9.771 ( -3.207 2.755 -0.838) 4.310 9.940 ( -3.696 15.598 2.123) 16.170 10.530 ( 0.835 -0.461 0.249) 0.986 10.685 ( 0.024 1.035 -0.141) 1.045 11.183 ( 2.788 -10.213 -5.283) 11.832 11.287 ( 3.820 -23.649 0.490) 23.960 11.528 ( 0.983 -3.839 4.078) 5.687 12.842 ( -23.778 13.428 1.485) 27.348 13.082 ( -35.550 12.416 0.505) 37.659 15.263 ( -13.250 1.085 3.628) 13.780 15.477 ( -2.225 -2.843 -1.492) 3.906 17.009 ( -4.685 18.585 -0.034) 19.167 17.862 ( -0.399 2.745 1.508) 3.157 20.160 ( 29.780 0.095 13.948) 32.885 20.989 ( -13.949 -1.060 -11.904) 18.369 21.479 ( 27.709 -3.967 -13.164) 30.932 22.613 ( 0.965 -7.381 9.539) 12.100 ======================= Grid point 47 (43/216) ======================= q-point: ( 0.27 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( -2.662 -3.377 0.782) 4.371 2.476 ( -3.469 -10.561 -17.114) 20.407 3.140 ( 19.501 0.754 3.589) 19.843 3.528 ( 2.102 22.218 2.053) 22.412 3.635 ( 7.644 14.215 -0.163) 16.141 4.693 ( 19.126 -1.557 10.742) 21.992 5.456 ( -8.252 -0.450 6.500) 10.514 5.622 ( -10.508 0.981 5.289) 11.804 6.061 ( -2.393 17.555 1.032) 17.748 6.373 ( 2.897 0.817 3.823) 4.865 6.879 ( 1.316 -4.396 -3.136) 5.558 7.012 ( -1.672 -4.094 1.568) 4.692 7.114 ( 0.980 1.699 -4.276) 4.705 7.588 ( 7.173 -4.693 -8.861) 12.328 8.083 ( 9.045 -14.604 -3.657) 17.563 8.319 ( 6.751 -12.537 1.732) 14.345 8.569 ( 8.173 0.787 1.159) 8.292 8.701 ( 1.490 -3.794 -3.903) 5.643 9.408 ( -4.544 7.737 1.029) 9.031 9.745 ( -4.501 -1.743 -2.956) 5.660 10.094 ( -3.328 12.221 -10.047) 16.167 10.491 ( 3.347 -1.762 -2.544) 4.558 10.758 ( 2.109 2.211 3.449) 4.608 10.992 ( 4.887 -9.546 2.728) 11.065 11.076 ( 0.745 -10.383 2.712) 10.757 11.580 ( -3.690 -2.259 8.362) 9.415 12.979 ( -30.683 6.592 -0.181) 31.384 13.213 ( -32.232 9.644 -3.343) 33.810 15.347 ( -11.153 0.069 6.885) 13.107 15.408 ( -3.108 -1.908 -3.501) 5.056 17.230 ( -3.832 19.817 -5.057) 20.808 17.909 ( -0.772 0.749 1.127) 1.558 20.299 ( 26.118 -4.287 7.995) 27.648 20.824 ( -13.673 0.018 -9.981) 16.929 21.335 ( 32.129 2.425 -3.952) 32.461 22.645 ( 0.344 -9.673 10.991) 14.646 ======================= Grid point 48 (44/216) ======================= q-point: (-0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -1.895 -6.268 -17.825) 18.989 2.128 ( -4.787 -7.120 -5.676) 10.287 3.185 ( 15.368 1.644 1.162) 15.499 3.408 ( 14.803 -10.997 -4.378) 18.954 4.231 ( -4.525 42.516 4.418) 42.984 4.837 ( 17.094 -1.476 13.223) 21.662 5.488 ( -5.282 -12.022 8.332) 15.552 5.687 ( -14.813 -0.320 3.587) 15.244 6.214 ( 7.318 -0.443 3.750) 8.235 6.494 ( 1.132 10.629 1.380) 10.778 6.744 ( 0.421 -5.318 -5.793) 7.875 6.953 ( 1.564 -1.672 -2.458) 3.359 7.082 ( 5.091 2.480 -6.042) 8.281 7.434 ( -0.392 1.742 -10.655) 10.804 7.861 ( 7.439 -12.944 -0.899) 14.957 8.052 ( 5.580 -20.548 -4.710) 21.807 8.581 ( 10.525 -0.152 -1.086) 10.582 8.730 ( -3.586 6.603 3.766) 8.405 9.502 ( -1.889 4.527 0.293) 4.914 9.667 ( -4.779 -2.575 -3.190) 6.296 10.046 ( -4.441 8.615 -12.948) 16.174 10.313 ( 4.287 -11.594 -9.496) 15.587 10.823 ( 4.926 7.364 -1.166) 8.936 11.062 ( 0.417 -3.568 8.354) 9.094 11.086 ( 4.668 -1.018 13.534) 14.353 11.694 ( -10.709 -1.148 11.297) 15.608 13.017 ( -27.356 2.128 -2.714) 27.573 13.244 ( -36.424 4.865 -5.498) 37.156 15.345 ( -2.825 0.426 -3.565) 4.568 15.436 ( -7.766 -2.169 7.195) 10.806 17.395 ( -2.400 18.065 -6.987) 19.517 17.895 ( -1.323 -4.065 -0.391) 4.293 20.232 ( 24.323 -11.489 -1.380) 26.935 20.746 ( -15.667 4.633 -5.723) 17.311 21.450 ( 34.610 11.437 6.174) 36.970 22.654 ( 0.229 -11.153 10.080) 15.035 ======================= Grid point 49 (45/216) ======================= q-point: (-0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( -1.266 0.996 -15.348) 15.432 1.928 ( -3.248 -11.747 -6.640) 13.879 3.162 ( 17.872 -10.369 -3.882) 21.024 3.247 ( 12.012 1.669 -1.298) 12.197 4.747 ( 3.292 22.376 4.214) 23.007 5.032 ( 4.893 2.643 11.980) 13.207 5.332 ( 2.567 -25.028 6.981) 26.109 5.717 ( -11.705 -0.605 1.544) 11.821 6.219 ( 9.927 -6.679 5.128) 13.017 6.548 ( 8.959 -2.185 -2.732) 9.618 6.618 ( 0.085 -0.232 -5.938) 5.943 6.986 ( 4.475 3.918 -11.905) 13.308 6.993 ( -1.533 9.344 -1.120) 9.535 7.330 ( -7.740 1.213 -7.137) 10.598 7.672 ( 7.281 -12.007 -4.215) 14.661 7.828 ( 3.866 -2.893 0.257) 4.836 8.561 ( 9.944 0.164 -1.584) 10.071 8.900 ( -7.820 8.558 5.129) 12.677 9.516 ( 1.453 -4.323 0.794) 4.629 9.627 ( -3.921 3.194 -1.807) 5.370 9.952 ( 1.512 -6.351 -10.986) 12.780 10.063 ( -4.562 4.768 -9.999) 11.980 10.924 ( 5.738 6.859 1.638) 9.092 11.117 ( 0.129 -3.365 5.984) 6.866 11.265 ( 5.561 -0.152 10.827) 12.173 11.852 ( -17.142 -0.324 12.333) 21.120 12.957 ( -22.115 -3.236 -4.948) 22.892 13.210 ( -39.414 1.948 -5.222) 39.807 15.331 ( -0.943 3.477 -1.934) 4.089 15.472 ( -5.157 -5.045 4.524) 8.515 17.526 ( -0.694 15.173 -5.537) 16.167 17.787 ( -2.601 -10.300 -1.386) 10.713 20.022 ( 24.329 -13.125 -3.605) 27.878 20.765 ( -16.806 7.437 -3.729) 18.753 21.762 ( 34.021 17.913 9.325) 39.563 22.625 ( -0.559 -11.604 7.456) 13.804 ======================= Grid point 50 (46/216) ======================= q-point: (-0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -1.973 -15.794 -6.521) 17.201 1.715 ( 1.681 7.134 -7.041) 10.164 2.955 ( 21.213 -11.094 -3.138) 24.143 3.290 ( 11.660 4.932 -0.583) 12.674 4.777 ( 4.498 -39.167 3.241) 39.557 4.999 ( 9.778 1.287 2.367) 10.143 5.368 ( 6.299 4.335 8.302) 11.287 5.702 ( -5.926 -4.052 -1.010) 7.249 6.176 ( 7.879 -5.578 1.808) 9.821 6.446 ( 5.688 -6.102 -3.130) 8.910 6.622 ( 10.332 8.306 -1.083) 13.301 6.847 ( -0.377 3.247 -9.418) 9.969 7.092 ( -8.069 1.528 -0.495) 8.227 7.263 ( -5.992 0.727 -2.835) 6.669 7.620 ( 9.246 12.330 -1.153) 15.455 7.887 ( -0.613 8.897 0.145) 8.919 8.545 ( 7.676 0.770 -1.344) 7.831 9.080 ( -12.108 8.493 4.094) 15.346 9.434 ( 3.598 -9.468 1.064) 10.184 9.656 ( -0.549 -5.872 -3.684) 6.954 9.710 ( 1.078 2.227 -4.181) 4.858 10.077 ( -7.513 10.312 -6.130) 14.155 11.034 ( 5.345 5.175 2.148) 7.743 11.124 ( -1.472 -4.664 2.618) 5.548 11.369 ( 5.918 -0.441 5.041) 7.786 12.003 ( -21.757 -0.766 9.431) 23.725 12.804 ( -20.134 -8.566 -5.149) 22.478 13.161 ( -36.314 -0.697 -3.046) 36.448 15.383 ( 1.791 6.043 -0.048) 6.303 15.429 ( -4.011 -6.912 1.158) 8.075 17.589 ( -4.602 -16.757 -1.132) 17.415 17.649 ( 0.907 11.809 -2.443) 12.093 19.813 ( 25.522 -11.930 -2.179) 28.257 20.829 ( -16.967 8.353 -2.366) 19.059 22.151 ( 31.336 22.995 6.922) 39.480 22.552 ( -2.209 -10.978 3.666) 11.783 ======================= Grid point 51 (47/216) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 0.171 -17.531 0.000) 17.532 1.794 ( 5.385 9.514 -0.000) 10.932 2.793 ( 25.000 -10.370 0.000) 27.066 3.358 ( 12.757 6.079 -0.000) 14.131 4.186 ( 8.158 -48.236 0.000) 48.921 5.010 ( 13.748 -4.170 -0.000) 14.367 5.498 ( 10.024 5.637 -0.000) 11.500 5.545 ( 4.566 -15.191 0.000) 15.862 6.167 ( 0.529 1.377 -0.000) 1.476 6.277 ( 3.755 -14.535 0.000) 15.012 6.751 ( 7.443 9.063 -0.000) 11.728 6.866 ( -2.851 6.842 -0.000) 7.412 7.073 ( -2.997 1.677 -0.000) 3.434 7.330 ( -0.629 12.031 -0.000) 12.047 7.865 ( 5.253 22.149 -0.000) 22.764 8.038 ( -2.500 13.385 -0.000) 13.617 8.552 ( 3.899 1.884 -0.000) 4.330 9.225 ( -16.144 7.981 -0.000) 18.009 9.294 ( 7.081 -11.286 0.000) 13.324 9.485 ( -0.350 -9.235 0.000) 9.242 9.799 ( 0.885 7.493 -0.000) 7.545 10.155 ( -7.719 8.764 -0.000) 11.678 11.053 ( -3.483 -7.778 0.000) 8.522 11.119 ( 6.266 4.088 -0.000) 7.482 11.403 ( 4.465 0.581 -0.000) 4.502 12.061 ( -23.796 -1.607 0.000) 23.851 12.619 ( -20.175 -12.193 0.000) 23.573 13.106 ( -30.312 -4.561 0.000) 30.654 15.342 ( -3.592 -6.458 0.000) 7.390 15.474 ( 3.465 6.850 -0.000) 7.676 17.316 ( -6.417 -23.098 0.000) 23.973 17.765 ( 1.915 8.004 -0.000) 8.230 19.653 ( 27.329 -9.801 -0.000) 29.034 20.922 ( -16.563 8.362 -0.000) 18.554 22.438 ( -4.568 -9.668 0.000) 10.693 22.539 ( 27.347 27.096 -0.000) 38.498 ======================= Grid point 52 (48/216) ======================= q-point: (-0.27 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 5.189 -10.743 17.123) 20.869 1.923 ( 7.255 6.914 2.021) 10.223 2.656 ( 26.046 -16.280 4.104) 30.988 3.451 ( 15.368 5.403 1.167) 16.331 3.582 ( 12.008 -39.429 0.660) 41.222 4.906 ( 16.943 -5.191 -5.038) 18.422 5.298 ( 12.559 -13.840 -3.283) 18.974 5.564 ( 4.468 2.335 -2.247) 5.519 6.047 ( 3.438 -14.634 -0.051) 15.033 6.256 ( -2.066 1.304 5.494) 6.013 6.790 ( -0.941 -4.098 1.461) 4.451 6.970 ( 0.013 5.124 2.983) 5.929 7.169 ( 2.917 13.280 -3.838) 14.128 7.586 ( 1.159 23.261 2.556) 23.430 8.150 ( 3.662 20.169 -0.299) 20.501 8.237 ( 1.152 16.249 0.605) 16.301 8.593 ( -0.063 2.811 0.984) 2.979 9.124 ( 5.655 -7.067 -3.650) 9.759 9.332 ( -15.457 3.979 1.442) 16.026 9.411 ( 1.526 -8.273 5.842) 10.242 9.854 ( -1.599 4.286 -3.874) 5.995 10.341 ( -5.349 9.046 9.961) 14.480 10.883 ( -3.711 -12.776 -5.684) 14.467 11.168 ( 6.100 2.740 1.160) 6.787 11.387 ( 1.735 1.778 -4.492) 5.133 11.950 ( -18.191 -1.541 -11.107) 21.369 12.522 ( -24.576 -11.335 8.372) 28.330 13.031 ( -23.374 -10.087 2.773) 25.609 15.282 ( -3.114 -3.740 1.730) 5.165 15.540 ( 2.332 5.329 -2.822) 6.465 16.988 ( -6.311 -27.923 2.152) 28.708 17.850 ( 2.141 3.883 0.447) 4.456 19.558 ( 29.359 -7.021 2.585) 30.297 21.053 ( -15.935 7.982 3.194) 18.107 22.298 ( -6.502 -7.216 -3.738) 10.408 22.843 ( 22.270 27.463 -9.600) 36.638 ======================= Grid point 53 (49/216) ======================= q-point: (-0.18 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 9.328 -0.886 28.970) 30.448 2.020 ( 7.696 2.944 2.458) 8.599 2.434 ( 18.586 -31.872 10.744) 38.427 3.194 ( 22.052 -16.004 0.482) 27.252 3.576 ( 16.170 5.928 2.897) 17.464 4.753 ( 17.331 -2.914 -8.838) 19.672 5.116 ( 16.960 -11.469 2.052) 20.576 5.506 ( -2.014 -0.600 -6.610) 6.936 5.862 ( -0.695 -13.793 0.163) 13.811 6.376 ( 0.033 5.150 5.059) 7.220 6.730 ( -1.689 -7.399 1.984) 7.844 7.048 ( 1.886 0.669 2.076) 2.883 7.264 ( 2.840 12.530 -7.376) 14.815 7.926 ( -6.880 21.128 -0.034) 22.220 8.378 ( 2.433 15.104 -0.897) 15.325 8.495 ( 10.693 20.186 0.988) 22.864 8.634 ( -0.833 3.607 -1.506) 3.997 9.006 ( 7.920 -4.994 -1.776) 9.530 9.365 ( -12.176 -1.402 -0.109) 12.257 9.448 ( -0.293 -1.554 9.458) 9.589 9.818 ( -3.795 -0.359 -4.293) 5.741 10.514 ( -2.359 -14.944 -6.786) 16.581 10.678 ( -3.959 3.162 13.101) 14.046 11.250 ( 5.338 5.730 3.100) 8.422 11.328 ( -1.014 2.316 -7.369) 7.791 11.799 ( -8.324 4.514 -11.057) 14.558 12.518 ( -28.527 -9.165 9.410) 31.406 12.902 ( -17.160 -16.988 4.153) 24.501 15.299 ( -2.249 -0.280 4.437) 4.982 15.521 ( -1.991 2.026 -7.184) 7.725 16.674 ( -3.570 -26.394 6.268) 27.362 17.875 ( 1.914 0.377 -0.838) 2.123 19.544 ( 31.079 -3.908 5.905) 31.876 21.210 ( -15.364 6.652 4.747) 17.402 22.153 ( -7.281 -4.250 -5.980) 10.336 22.969 ( 18.772 21.389 -19.474) 34.484 ======================= Grid point 54 (50/216) ======================= q-point: (-0.09 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 12.781 -1.970 19.271) 23.208 2.034 ( 10.796 -8.844 4.237) 14.585 2.305 ( 3.508 -12.784 23.368) 26.867 3.114 ( 28.929 -1.753 2.171) 29.064 3.683 ( 16.200 3.565 2.947) 16.847 4.602 ( 17.111 -0.914 -8.594) 19.169 5.064 ( 18.052 -5.971 7.210) 20.335 5.393 ( -4.937 -2.535 -6.275) 8.377 5.693 ( -5.717 -7.932 -2.642) 10.128 6.485 ( -4.267 4.506 -1.842) 6.474 6.695 ( 2.509 -5.541 8.427) 10.393 7.049 ( 1.454 -0.635 -1.482) 2.171 7.297 ( 3.282 6.462 -5.940) 9.371 8.102 ( -10.194 9.710 -3.417) 14.487 8.503 ( 0.419 7.205 -3.810) 8.161 8.612 ( -1.194 0.704 -1.519) 2.057 8.779 ( 15.604 21.825 -4.951) 27.282 8.940 ( 9.230 -2.527 -0.585) 9.588 9.270 ( -4.327 -10.351 -3.636) 11.793 9.560 ( -5.303 -1.562 5.219) 7.603 9.745 ( -2.654 -2.035 -2.435) 4.136 10.245 ( -0.731 -10.801 3.824) 11.482 10.922 ( -3.648 3.474 6.940) 8.576 11.270 ( -1.666 3.354 -3.263) 4.967 11.399 ( 2.992 5.846 4.111) 7.748 11.820 ( 0.344 17.647 -4.768) 18.283 12.481 ( -17.504 -15.848 4.435) 24.025 12.736 ( -26.191 -14.136 6.448) 30.453 15.375 ( -2.703 1.702 1.129) 3.388 15.418 ( -5.437 -0.799 -4.525) 7.119 16.507 ( -1.777 -15.179 10.270) 18.413 17.847 ( 1.538 -1.013 -2.008) 2.725 19.616 ( 32.100 -1.418 9.475) 33.500 21.326 ( -14.977 3.413 1.049) 15.397 22.031 ( -4.974 -1.005 -6.416) 8.181 22.879 ( 18.096 10.003 -22.168) 30.314 ======================= Grid point 55 (51/216) ======================= q-point: ( 0.00 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 1.855 -0.000 1.604) 2.453 2.217 ( 4.082 -0.000 4.121) 5.800 2.855 ( 0.621 -0.000 8.840) 8.862 3.467 ( 10.137 -0.000 1.218) 10.210 3.909 ( 6.301 -0.000 0.085) 6.301 4.734 ( 12.076 -0.000 1.448) 12.163 5.152 ( -2.158 0.000 -2.415) 3.239 5.431 ( -8.542 0.000 -2.397) 8.872 5.445 ( 7.432 -0.000 5.157) 9.046 6.273 ( -4.551 0.000 -3.677) 5.851 6.930 ( 0.602 -0.000 3.287) 3.341 6.981 ( 0.247 -0.000 -1.471) 1.491 7.292 ( 1.062 -0.000 -0.550) 1.196 8.052 ( -1.055 0.000 1.087) 1.515 8.331 ( -1.527 0.000 -5.064) 5.289 8.603 ( 1.148 -0.000 -0.992) 1.517 9.010 ( 7.646 -0.000 -2.980) 8.206 9.014 ( 4.998 -0.000 -0.836) 5.068 9.056 ( -1.808 0.000 0.246) 1.825 9.484 ( -4.784 0.000 1.354) 4.972 9.757 ( -0.199 -0.000 1.746) 1.757 10.457 ( 1.548 -0.000 9.208) 9.337 10.710 ( -3.624 0.000 -9.823) 10.471 11.387 ( 0.025 -0.000 2.412) 2.413 11.567 ( 5.200 -0.000 1.677) 5.464 12.170 ( -0.970 0.000 -1.436) 1.733 12.186 ( 3.844 -0.000 1.984) 4.326 12.344 ( -22.477 0.000 1.505) 22.527 15.112 ( -3.741 0.000 -2.926) 4.749 15.519 ( -0.245 0.000 1.859) 1.875 16.629 ( -0.940 0.000 3.997) 4.106 17.805 ( 0.353 -0.000 -0.611) 0.706 20.329 ( 21.954 -0.000 11.924) 24.984 20.960 ( -15.660 0.000 -10.219) 18.699 21.886 ( 1.090 -0.000 -2.614) 2.832 22.707 ( 4.555 -0.000 -4.061) 6.102 ======================= Grid point 56 (52/216) ======================= q-point: ( 0.09 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( -1.811 -0.410 2.011) 2.737 2.437 ( -1.395 26.077 1.228) 26.143 2.842 ( -0.998 -3.866 -7.158) 8.196 3.428 ( 7.857 -6.730 0.923) 10.386 3.897 ( 5.836 -2.462 0.373) 6.345 4.785 ( 7.815 1.011 4.638) 9.144 5.191 ( -3.524 5.010 1.671) 6.349 5.446 ( -5.277 2.761 2.016) 6.287 5.545 ( -2.034 7.859 2.031) 8.368 6.273 ( -1.516 2.992 0.868) 3.465 6.947 ( -0.671 0.623 -1.454) 1.719 6.989 ( -0.061 0.958 1.536) 1.811 7.251 ( -0.250 -6.767 1.259) 6.888 7.978 ( 4.364 -5.331 -5.987) 9.127 8.319 ( 1.633 1.434 1.188) 2.477 8.560 ( 3.185 -4.136 -1.143) 5.344 8.894 ( 13.409 -9.784 0.326) 16.602 8.968 ( 0.958 -5.641 -1.666) 5.960 9.119 ( -4.695 5.317 1.503) 7.251 9.610 ( -4.883 12.052 2.428) 13.228 9.779 ( -1.747 2.590 -0.779) 3.220 10.499 ( -2.519 1.482 -6.560) 7.182 10.681 ( 2.029 1.465 6.524) 6.988 11.325 ( 1.590 -6.944 -4.056) 8.198 11.562 ( 1.663 -4.906 1.408) 5.368 11.765 ( 3.000 -30.337 0.268) 30.486 12.349 ( -20.260 6.638 1.271) 21.357 12.599 ( -4.347 24.465 -1.228) 24.879 15.124 ( -4.727 0.823 3.877) 6.169 15.500 ( -0.358 -2.564 -1.810) 3.159 16.736 ( -3.030 12.836 -1.551) 13.280 17.824 ( -0.438 1.863 1.303) 2.315 20.466 ( 9.284 0.223 5.838) 10.969 20.832 ( -4.723 -0.707 -5.895) 7.586 21.795 ( 12.541 -1.674 -7.803) 14.865 22.706 ( -0.725 -5.288 8.309) 9.876 ======================= Grid point 57 (53/216) ======================= q-point: ( 0.18 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( -4.477 -2.021 1.094) 5.032 2.528 ( -5.823 -5.243 -21.868) 23.229 2.936 ( -3.327 38.758 0.923) 38.911 3.365 ( 6.822 -5.155 2.664) 8.956 3.840 ( 5.531 -5.779 -1.127) 8.078 4.885 ( 5.786 2.458 6.395) 8.968 5.283 ( -8.741 1.669 5.009) 10.212 5.521 ( -6.099 0.897 4.175) 7.445 5.754 ( -2.459 19.755 1.730) 19.983 6.352 ( -0.201 3.210 3.075) 4.449 6.913 ( -0.735 1.280 -4.957) 5.172 7.037 ( -0.279 -0.088 3.890) 3.901 7.158 ( 0.047 -9.252 1.189) 9.328 7.782 ( 7.211 -7.762 -9.080) 13.953 8.320 ( 4.035 -6.344 -0.746) 7.555 8.493 ( 4.740 -3.883 2.181) 6.504 8.765 ( 5.554 -12.823 -1.054) 14.014 8.839 ( 6.773 -7.318 -0.255) 9.975 9.234 ( -5.278 7.475 2.273) 9.428 9.714 ( -0.732 1.201 -2.123) 2.547 9.858 ( -5.649 12.655 -4.807) 14.669 10.452 ( -1.746 6.555 -3.911) 7.830 10.800 ( 3.617 -0.434 4.747) 5.983 11.143 ( 2.399 -7.877 -3.666) 9.014 11.352 ( 2.128 -23.123 2.544) 23.360 11.587 ( -2.801 -6.337 4.029) 8.015 12.461 ( -21.056 8.864 -0.192) 22.846 12.834 ( -4.481 15.586 -3.700) 16.634 15.230 ( -4.601 0.880 9.004) 10.150 15.418 ( -0.579 -2.825 -4.154) 5.057 16.906 ( -3.320 20.442 -6.251) 21.633 17.876 ( -1.013 1.951 1.892) 2.900 20.469 ( -12.760 1.388 -5.353) 13.907 20.787 ( 14.193 -3.888 1.155) 14.761 21.687 ( 20.319 0.624 -4.205) 20.759 22.765 ( -2.669 -9.950 13.702) 17.142 ======================= Grid point 58 (54/216) ======================= q-point: ( 0.27 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( -7.725 -5.544 -21.837) 23.817 2.156 ( -2.933 -5.221 -4.769) 7.655 3.277 ( -4.428 4.634 -2.310) 6.813 3.586 ( 3.385 32.923 4.573) 33.411 3.720 ( 4.766 -2.341 -3.018) 6.107 5.020 ( 6.356 3.099 7.341) 10.193 5.387 ( -12.062 0.015 8.641) 14.838 5.580 ( -7.588 -1.926 5.086) 9.336 6.070 ( -0.162 22.009 2.161) 22.115 6.405 ( -3.528 0.551 0.545) 3.612 6.852 ( 3.108 -1.003 -4.194) 5.315 7.032 ( -0.295 -9.695 2.388) 9.989 7.092 ( 1.012 1.503 -1.253) 2.203 7.534 ( 7.719 -8.275 -11.067) 15.828 8.138 ( 4.605 -15.093 -1.915) 15.895 8.394 ( 3.319 -20.133 -2.712) 20.584 8.621 ( -2.466 1.902 -0.049) 3.115 8.788 ( 13.780 -4.206 1.891) 14.531 9.361 ( -5.935 7.411 1.268) 9.579 9.671 ( -0.342 -2.628 -1.279) 2.942 9.859 ( -5.125 8.853 -13.158) 16.666 10.503 ( 3.840 -4.354 -4.472) 7.329 10.754 ( 1.456 6.579 -3.901) 7.786 11.139 ( 2.234 -3.025 6.779) 7.752 11.206 ( 3.649 -9.663 11.621) 15.548 11.580 ( -9.870 -4.737 5.401) 12.207 12.569 ( -19.251 9.623 -2.050) 21.620 12.912 ( -5.960 6.400 -5.432) 10.295 15.325 ( -0.743 -0.595 -3.431) 3.561 15.378 ( -3.391 -1.025 9.647) 10.277 17.093 ( -1.735 22.697 -8.110) 24.164 17.906 ( -1.502 -0.871 0.690) 1.868 20.413 ( -19.710 3.905 -6.591) 21.146 20.689 ( 18.308 -9.176 -3.030) 20.701 21.740 ( 24.134 7.258 4.159) 25.543 22.801 ( -3.330 -13.694 13.670) 19.634 ======================= Grid point 59 (55/216) ======================= q-point: ( 0.36 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -4.143 1.370 -20.531) 20.990 2.017 ( -4.783 -9.791 -3.693) 11.505 3.283 ( -2.084 2.151 -1.310) 3.269 3.507 ( 7.336 -10.871 -4.012) 13.715 4.240 ( -1.660 43.732 3.208) 43.881 5.154 ( 5.229 0.929 7.415) 9.121 5.510 ( -10.279 -2.414 9.730) 14.358 5.591 ( -5.626 -7.527 5.376) 10.827 6.329 ( 3.289 8.904 0.944) 9.539 6.420 ( -9.817 6.717 -1.278) 11.964 6.765 ( 8.406 -4.548 -1.629) 9.695 6.941 ( 1.259 -1.998 -4.059) 4.696 7.067 ( 1.954 -1.729 -2.775) 3.809 7.272 ( 2.988 -6.202 -11.809) 13.669 7.917 ( 3.121 -14.171 -1.182) 14.559 8.039 ( 2.380 -19.951 -5.099) 20.729 8.701 ( -5.642 6.041 1.539) 8.408 8.758 ( 14.138 -3.768 1.062) 14.670 9.463 ( -5.778 6.762 0.436) 8.905 9.632 ( 1.209 -3.943 2.197) 4.673 9.806 ( -4.767 9.197 -10.745) 14.926 10.213 ( 4.545 -12.819 -13.031) 18.836 10.893 ( 4.189 9.355 1.881) 10.421 11.165 ( -0.083 -4.242 6.104) 7.434 11.355 ( 6.514 -0.132 12.679) 14.255 11.615 ( -16.220 -2.112 6.358) 17.549 12.658 ( -16.812 9.011 -2.927) 19.298 12.872 ( -6.408 -0.446 -5.390) 8.385 15.292 ( 0.843 2.635 -2.295) 3.594 15.472 ( -3.580 -4.183 7.495) 9.300 17.283 ( 0.663 21.287 -6.471) 22.259 17.860 ( -2.352 -6.057 -0.931) 6.564 20.404 ( -20.714 6.500 -4.612) 22.194 20.492 ( 19.372 -11.219 -4.585) 22.851 21.960 ( 23.747 12.928 7.112) 27.957 22.773 ( -4.692 -15.788 10.293) 19.422 ======================= Grid point 60 (56/216) ======================= q-point: (-0.55 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -0.295 9.595 -9.350) 13.400 1.796 ( -4.097 -14.212 -4.676) 15.512 3.308 ( 0.532 2.652 -0.962) 2.870 3.321 ( 8.667 -8.187 -2.505) 12.183 4.802 ( 1.070 33.620 1.967) 33.694 5.182 ( -2.230 -15.136 4.448) 15.933 5.502 ( 6.807 -7.703 5.595) 11.704 5.612 ( -8.910 -2.362 4.505) 10.259 6.387 ( 2.752 0.444 1.874) 3.359 6.448 ( -3.878 -1.644 -2.043) 4.682 6.754 ( 11.390 2.374 -0.182) 11.637 6.867 ( -1.382 3.232 -6.820) 7.673 6.966 ( 7.694 -3.348 -5.006) 9.771 7.102 ( -12.014 -0.190 -5.207) 13.095 7.737 ( 8.184 -7.480 -1.972) 11.261 7.827 ( -3.367 -5.564 -0.673) 6.538 8.715 ( 13.035 -3.896 0.160) 13.606 8.808 ( -10.587 7.085 1.089) 12.785 9.572 ( -3.129 7.198 2.274) 8.171 9.614 ( 3.451 -7.136 5.250) 9.507 9.804 ( -4.218 7.992 -8.046) 12.099 9.882 ( 1.751 -9.051 -10.867) 14.251 11.024 ( 5.395 7.285 1.459) 9.182 11.168 ( -2.590 -5.623 3.090) 6.919 11.485 ( 10.066 -0.732 6.191) 11.840 11.694 ( -20.534 0.477 5.534) 21.272 12.725 ( -9.735 3.575 -1.203) 10.440 12.773 ( -9.583 -1.964 -4.311) 10.690 15.335 ( 2.601 5.918 -0.029) 6.464 15.467 ( -3.875 -6.971 2.711) 8.424 17.477 ( 2.509 17.697 -2.950) 18.116 17.722 ( -3.653 -12.108 -1.325) 12.716 20.290 ( 21.269 -11.072 -2.644) 24.124 20.455 ( -20.635 8.412 -2.536) 22.427 22.250 ( 21.232 17.235 5.108) 27.820 22.668 ( -7.081 -16.005 5.193) 18.256 ======================= Grid point 61 (57/216) ======================= q-point: (-0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -1.699 -15.611 0.000) 15.703 1.705 ( 3.481 13.014 -0.000) 13.472 3.187 ( 14.110 -7.542 0.000) 15.999 3.375 ( 0.756 6.752 -0.000) 6.794 4.829 ( 0.163 -38.421 0.000) 38.422 5.128 ( 7.631 12.551 -0.000) 14.689 5.551 ( 7.596 4.332 -0.000) 8.744 5.621 ( -5.279 0.212 0.000) 5.283 6.291 ( 8.105 -9.513 0.000) 12.497 6.472 ( 0.456 -0.884 0.000) 0.994 6.752 ( 1.720 0.114 -0.000) 1.724 6.832 ( 13.238 2.360 -0.000) 13.447 6.954 ( -8.124 3.481 -0.000) 8.838 7.105 ( -13.025 6.328 -0.000) 14.481 7.736 ( 7.998 9.137 -0.000) 12.142 7.833 ( -6.440 6.649 -0.000) 9.256 8.664 ( 10.175 -3.680 -0.000) 10.820 8.911 ( -14.198 7.021 -0.000) 15.839 9.570 ( 9.785 -10.973 0.000) 14.702 9.597 ( -0.500 -8.380 0.000) 8.394 9.715 ( 2.111 7.425 -0.000) 7.719 9.894 ( -11.023 10.401 -0.000) 15.156 11.103 ( -3.876 -7.059 0.000) 8.053 11.127 ( 5.487 6.506 -0.000) 8.510 11.511 ( 10.589 -1.472 -0.000) 10.691 11.744 ( -20.840 0.330 0.000) 20.842 12.624 ( -1.827 -10.288 0.000) 10.449 12.806 ( -12.981 4.662 0.000) 13.792 15.383 ( -3.760 -7.391 0.000) 8.293 15.429 ( 3.800 7.466 -0.000) 8.377 17.511 ( -4.757 -18.096 0.000) 18.710 17.662 ( 3.118 12.946 -0.000) 13.316 20.133 ( 22.972 -9.857 0.000) 24.998 20.555 ( -19.479 9.266 -0.000) 21.571 22.499 ( -10.017 -14.602 0.000) 17.708 22.539 ( 17.741 20.317 -0.000) 26.973 ======================= Grid point 62 (58/216) ======================= q-point: (-0.36 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 2.700 -10.398 12.830) 16.734 1.895 ( 5.649 10.878 2.969) 12.612 3.112 ( 17.183 -6.578 2.200) 18.530 3.491 ( 3.871 8.719 1.852) 9.718 4.251 ( 2.643 -44.870 -1.496) 44.973 5.164 ( 10.501 -2.357 -2.626) 11.078 5.525 ( 8.438 2.628 -9.521) 12.991 5.615 ( 1.410 -1.069 -2.097) 2.744 6.235 ( 7.507 -1.643 3.128) 8.297 6.350 ( 2.529 -16.070 0.999) 16.299 6.839 ( -4.422 7.332 2.227) 8.847 6.862 ( 4.014 -2.016 3.630) 5.775 7.043 ( -0.441 8.160 0.751) 8.207 7.272 ( -9.747 14.362 3.894) 17.788 7.925 ( 2.088 17.307 -0.162) 17.433 8.005 ( -2.939 16.433 2.907) 16.945 8.625 ( 5.517 -2.626 0.558) 6.136 8.986 ( -15.275 6.109 -1.828) 16.552 9.390 ( 7.444 -8.733 -2.414) 11.726 9.559 ( 3.604 -9.102 7.532) 12.352 9.769 ( -1.925 4.802 -3.694) 6.357 10.118 ( -7.072 11.253 10.447) 16.905 10.980 ( -3.499 -9.105 -2.637) 10.104 11.192 ( 4.641 5.231 -1.932) 7.255 11.455 ( 9.217 -1.561 -4.912) 10.561 11.697 ( -17.163 0.680 -7.003) 18.549 12.501 ( -1.913 -12.005 4.008) 12.801 12.857 ( -10.363 0.161 2.460) 10.652 15.299 ( -2.940 -5.189 0.773) 6.014 15.504 ( 3.455 6.383 -3.450) 8.036 17.253 ( -4.506 -23.353 2.856) 23.955 17.808 ( 2.761 7.673 1.041) 8.220 20.032 ( 24.584 -7.959 2.610) 25.972 20.700 ( -18.121 9.570 2.985) 20.709 22.292 ( -12.773 -11.906 -4.097) 17.935 22.771 ( 13.919 21.384 -6.875) 26.425 ======================= Grid point 63 (59/216) ======================= q-point: (-0.27 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 6.866 -1.155 25.203) 26.147 2.050 ( 6.082 6.586 2.545) 9.319 3.041 ( 18.923 -14.675 5.101) 24.484 3.645 ( 5.346 6.127 2.314) 8.454 3.675 ( 3.908 -31.848 -1.369) 32.116 5.039 ( 12.923 -5.978 -6.151) 15.510 5.409 ( 8.755 -0.244 -7.954) 11.832 5.532 ( 4.246 -4.106 -3.791) 7.019 6.093 ( 1.395 -19.796 -1.279) 19.886 6.324 ( 3.246 3.986 3.532) 6.237 6.824 ( -1.142 -7.842 4.524) 9.125 7.019 ( -0.453 7.599 3.950) 8.577 7.127 ( 1.309 9.404 -5.656) 11.052 7.553 ( -10.554 16.041 5.435) 19.955 8.162 ( -1.097 17.711 0.188) 17.746 8.324 ( 4.129 22.526 4.553) 23.349 8.604 ( 0.428 -1.679 0.037) 1.734 9.021 ( -12.302 4.992 -3.627) 13.763 9.278 ( 4.510 -6.938 0.731) 8.308 9.575 ( 5.171 -5.941 9.740) 12.526 9.760 ( -4.209 0.147 -1.913) 4.626 10.439 ( -4.456 10.726 12.278) 16.901 10.774 ( -1.691 -14.325 -3.844) 14.928 11.226 ( 1.587 5.948 -2.981) 6.840 11.344 ( 5.687 -0.381 -8.223) 10.005 11.615 ( -7.546 5.075 -8.615) 12.527 12.418 ( -4.497 -11.421 6.026) 13.674 12.867 ( -8.241 -5.798 3.840) 10.783 15.282 ( -1.788 -1.601 3.425) 4.182 15.485 ( 1.455 3.175 -8.630) 9.310 16.987 ( -2.180 -25.955 6.554) 26.858 17.885 ( 2.109 2.598 0.070) 3.347 19.999 ( 25.718 -5.334 5.549) 26.845 20.882 ( -17.023 9.029 4.780) 19.853 22.085 ( -14.549 -8.306 -5.924) 17.770 22.901 ( 10.816 19.385 -13.752) 26.112 ======================= Grid point 64 (60/216) ======================= q-point: (-0.18 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 10.329 3.322 19.551) 22.360 2.163 ( 4.287 2.562 9.559) 10.785 2.780 ( 11.351 -35.450 7.875) 38.047 3.398 ( 7.699 -3.246 -1.915) 8.572 3.795 ( 8.120 6.631 2.649) 10.813 4.872 ( 15.001 -4.569 -6.649) 17.033 5.317 ( 4.597 -0.578 -4.826) 6.690 5.430 ( 7.124 -5.432 -0.922) 9.005 5.799 ( -2.493 -17.976 -3.933) 18.569 6.395 ( -0.655 2.896 -1.585) 3.366 6.804 ( 1.631 -6.010 7.071) 9.423 7.077 ( 0.734 -1.084 -1.366) 1.892 7.198 ( 0.690 12.427 -4.957) 13.397 7.805 ( -10.959 11.290 4.440) 16.349 8.365 ( -1.747 12.058 -0.849) 12.213 8.577 ( -2.838 0.010 -1.687) 3.301 8.672 ( 8.681 20.908 1.849) 22.714 9.028 ( -5.577 4.355 -3.896) 8.077 9.201 ( -1.852 -5.922 -0.191) 6.208 9.659 ( 5.874 -4.516 9.928) 12.388 9.727 ( -3.812 -3.462 0.135) 5.151 10.427 ( 0.813 -13.961 -3.162) 14.338 10.807 ( -3.500 5.767 10.322) 12.331 11.202 ( -1.997 2.622 -6.768) 7.528 11.354 ( 5.288 11.159 0.419) 12.356 11.616 ( -0.545 11.654 -6.612) 13.410 12.354 ( -8.709 -9.798 4.850) 13.978 12.792 ( -6.125 -14.186 3.658) 15.879 15.333 ( -0.820 0.643 -1.172) 1.568 15.374 ( -0.943 0.845 -4.769) 4.935 16.766 ( 0.642 -23.090 8.924) 24.762 17.883 ( 1.596 -0.847 -1.594) 2.410 20.047 ( 26.016 -2.644 8.857) 27.609 21.041 ( -16.766 6.385 1.891) 18.040 21.930 ( -13.957 -3.840 -3.946) 15.004 22.902 ( 9.367 13.972 -17.604) 24.348 ======================= Grid point 65 (61/216) ======================= q-point: (-0.09 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 5.658 0.748 1.232) 5.838 2.296 ( 10.161 -19.272 9.036) 23.586 2.641 ( 0.738 -3.700 19.416) 19.779 3.414 ( 10.994 4.453 0.256) 11.864 3.885 ( 7.411 3.097 0.926) 8.085 4.757 ( 15.089 -1.923 -3.265) 15.558 5.235 ( -2.042 -2.761 -4.483) 5.647 5.391 ( 10.735 -2.865 3.746) 11.725 5.546 ( -5.343 -10.046 -4.308) 12.167 6.351 ( -4.663 -0.919 -5.272) 7.099 6.863 ( 2.641 -1.504 7.260) 7.871 7.023 ( 0.434 -0.846 -3.356) 3.488 7.271 ( 1.308 6.594 -2.900) 7.321 7.974 ( -7.287 5.674 3.783) 9.980 8.410 ( -3.036 1.672 -5.371) 6.392 8.588 ( -1.044 3.419 -0.608) 3.627 8.906 ( 8.396 14.126 -1.099) 16.470 9.029 ( 3.593 2.379 -2.700) 5.085 9.121 ( -7.295 -3.909 -1.558) 8.422 9.584 ( 1.758 -13.091 -0.084) 13.209 9.732 ( -0.074 -0.841 2.807) 2.931 10.344 ( 1.840 -4.206 8.479) 9.642 10.850 ( -3.943 -0.189 -7.771) 8.716 11.274 ( -1.830 6.180 5.810) 8.678 11.509 ( 5.986 5.312 2.541) 8.397 11.799 ( 1.608 27.137 -2.477) 27.297 12.296 ( -13.131 -6.683 2.838) 15.004 12.580 ( -5.034 -23.588 2.021) 24.204 15.201 ( -2.395 -0.811 -8.809) 9.165 15.454 ( -0.465 2.244 4.736) 5.261 16.637 ( 1.094 -13.775 8.016) 15.975 17.837 ( 1.086 -1.532 -2.015) 2.755 20.167 ( 25.204 -0.823 11.521) 27.724 21.069 ( -17.330 2.138 -6.033) 18.474 21.886 ( -8.981 0.094 0.324) 8.987 22.805 ( 8.472 6.704 -15.023) 18.504 ======================= Grid point 133 (62/216) ======================= q-point: ( 0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 8.497 8.110 25.675) 28.234 1.725 ( 28.061 13.614 9.781) 32.687 1.804 ( 14.041 4.692 8.122) 16.886 2.589 ( 12.595 42.806 12.348) 46.298 3.162 ( 10.471 -3.289 4.397) 11.823 4.261 ( 15.683 -1.190 -10.989) 19.187 4.731 ( 10.215 17.264 0.741) 20.073 5.608 ( -5.759 0.959 7.165) 9.243 5.895 ( -1.994 10.786 3.457) 11.500 6.399 ( -1.860 0.211 5.834) 6.127 6.818 ( -4.336 2.471 -1.917) 5.346 7.000 ( 1.340 1.548 3.485) 4.041 7.146 ( 5.152 -13.166 -7.834) 16.163 7.536 ( 30.737 -31.647 2.225) 44.173 8.183 ( 6.966 -14.936 -2.578) 16.681 8.365 ( 2.450 -11.806 -1.400) 12.138 8.651 ( -0.167 -3.520 -1.050) 3.677 8.892 ( 0.676 8.967 -3.161) 9.532 9.354 ( 1.581 8.537 8.341) 12.039 9.831 ( -14.880 -3.990 -3.271) 15.749 9.890 ( -1.928 -1.616 -3.656) 4.438 10.540 ( 3.594 7.780 -10.099) 13.245 10.773 ( -2.279 -3.633 10.546) 11.385 11.127 ( 1.941 -5.461 1.095) 5.899 11.351 ( -0.508 -4.482 -6.085) 7.575 12.058 ( -7.314 3.329 -17.949) 19.666 13.683 ( -46.974 26.215 -3.056) 53.880 13.812 ( -44.700 22.296 10.744) 51.095 15.370 ( -2.496 1.949 4.043) 5.136 15.850 ( -32.238 -0.681 12.750) 34.675 16.806 ( -4.935 27.354 1.316) 27.826 17.834 ( 1.104 0.118 -0.061) 1.111 18.571 ( 36.457 6.714 2.762) 37.173 21.459 ( 23.373 -18.931 -13.327) 32.898 21.832 ( 30.920 -15.000 -19.067) 39.302 22.356 ( 4.813 -2.927 -1.538) 5.839 ======================= Grid point 134 (63/216) ======================= q-point: ( 0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 8.215 6.293 19.865) 22.399 1.931 ( 7.941 3.894 8.775) 12.459 2.082 ( 24.379 11.462 13.290) 30.039 3.112 ( 9.478 -3.647 3.996) 10.914 3.416 ( 5.513 44.819 9.299) 46.104 4.077 ( 17.958 0.916 -12.740) 22.037 5.042 ( 6.548 18.262 6.974) 20.616 5.710 ( -11.306 6.274 1.236) 12.989 6.100 ( -1.651 5.269 7.490) 9.306 6.445 ( -5.473 -3.467 -1.773) 6.717 6.717 ( 6.402 -7.404 -2.213) 10.035 7.013 ( 1.243 1.677 0.380) 2.122 7.102 ( 0.878 3.701 5.557) 6.734 7.270 ( 22.554 -15.396 3.350) 27.513 7.913 ( 7.334 -18.918 -3.187) 20.539 8.175 ( 1.937 -13.082 -2.015) 13.377 8.599 ( 0.872 -2.741 -0.317) 2.894 8.927 ( 1.112 5.376 -6.287) 8.347 9.584 ( 1.544 7.308 8.460) 11.285 9.753 ( -13.597 -2.506 -0.804) 13.849 9.865 ( -0.504 -0.621 2.586) 2.707 10.491 ( 8.023 2.835 -6.450) 10.678 10.839 ( -1.230 -5.267 7.526) 9.268 11.021 ( 2.344 -4.746 -5.411) 7.569 11.183 ( 0.036 -6.079 -7.802) 9.890 11.861 ( -6.945 3.452 -16.750) 18.458 13.891 ( -38.021 12.373 -1.569) 40.015 14.181 ( -42.262 13.730 7.555) 45.074 15.482 ( -7.558 4.096 6.551) 10.808 15.987 ( -44.749 -1.571 8.693) 45.612 17.184 ( -2.574 24.918 2.530) 25.178 17.845 ( 0.736 0.115 1.440) 1.621 18.717 ( 38.117 8.817 3.370) 39.269 20.863 ( 61.967 -20.602 -23.270) 69.324 21.618 ( -4.016 -7.249 -2.453) 8.642 22.338 ( 0.479 0.222 -0.047) 0.530 ======================= Grid point 135 (64/216) ======================= q-point: ( 0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 4.614 4.242 13.887) 15.236 2.118 ( 5.230 4.662 9.323) 11.662 2.404 ( 19.867 10.312 11.014) 24.947 3.040 ( 12.620 -10.354 1.062) 16.358 3.917 ( 15.848 5.046 -6.787) 17.963 4.154 ( 3.622 42.411 2.354) 42.631 5.328 ( -2.406 8.738 4.524) 10.130 5.804 ( -5.055 4.217 0.065) 6.583 6.071 ( -4.717 -12.595 -3.262) 13.840 6.353 ( 1.778 -1.760 3.609) 4.392 6.763 ( 4.279 8.900 1.739) 10.027 7.006 ( 10.714 -6.710 -0.176) 12.642 7.145 ( 2.867 -0.542 3.592) 4.628 7.347 ( 3.560 9.673 6.913) 12.411 7.627 ( 9.338 -17.773 -1.205) 20.113 7.972 ( 2.131 -13.589 -1.521) 13.839 8.569 ( 1.413 -1.520 0.124) 2.079 8.851 ( 1.389 -0.461 -8.813) 8.934 9.718 ( -2.238 4.268 -0.561) 4.852 9.764 ( -8.778 -1.195 5.185) 10.265 9.973 ( 1.757 2.651 10.825) 11.283 10.452 ( 10.372 1.520 -2.967) 10.894 10.805 ( 0.693 -6.482 -3.453) 7.377 10.912 ( 0.240 -2.500 -0.765) 2.625 10.992 ( 1.243 -5.353 -7.508) 9.304 11.693 ( -6.817 2.336 -12.822) 14.709 13.997 ( -31.858 7.223 -1.252) 32.691 14.384 ( -36.558 4.973 4.282) 37.143 15.654 ( -19.536 5.965 7.896) 21.900 16.044 ( -48.379 -2.631 3.713) 48.592 17.516 ( -0.943 18.938 2.914) 19.184 17.867 ( 0.500 -1.524 2.548) 3.011 18.890 ( 40.975 9.472 3.687) 42.216 20.344 ( 61.862 -15.382 -16.939) 65.958 21.494 ( -6.624 -5.844 -2.627) 9.215 22.346 ( -0.265 0.258 0.477) 0.604 ======================= Grid point 136 (65/216) ======================= q-point: ( 0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 0.152 1.678 5.687) 5.931 2.272 ( 2.291 2.426 4.424) 5.541 2.639 ( 18.718 8.606 4.278) 21.041 2.894 ( 17.583 -9.896 -0.966) 20.200 3.876 ( 17.654 0.932 -2.444) 17.846 4.741 ( -2.477 39.465 1.612) 39.576 5.237 ( -7.861 -24.896 -2.597) 26.237 5.775 ( 6.894 -1.126 0.063) 6.986 6.053 ( -12.191 5.313 1.304) 13.363 6.372 ( 5.969 -2.961 2.424) 7.090 6.858 ( 11.134 2.414 -3.298) 11.861 6.986 ( 2.797 4.855 4.901) 7.444 7.139 ( 0.500 -5.916 -1.946) 6.248 7.439 ( 9.706 -4.519 1.219) 10.776 7.596 ( 2.900 10.721 3.536) 11.656 7.783 ( 2.439 -12.927 -0.205) 13.157 8.563 ( 1.879 -0.181 0.466) 1.944 8.719 ( 1.733 -1.933 -5.280) 5.884 9.744 ( -0.678 1.338 -0.572) 1.606 9.812 ( -9.265 -0.278 2.468) 9.592 10.159 ( 3.334 2.638 7.593) 8.702 10.453 ( 10.497 1.144 -0.010) 10.560 10.653 ( 0.393 -3.305 -5.628) 6.539 10.818 ( 2.059 -4.001 -3.147) 5.491 10.930 ( 0.533 -0.048 0.281) 0.604 11.584 ( -7.018 0.773 -5.175) 8.754 14.051 ( -29.443 2.535 -0.341) 29.554 14.454 ( -31.202 0.920 1.092) 31.235 15.821 ( -31.254 4.129 4.598) 31.859 16.028 ( -46.957 -2.574 -0.094) 47.028 17.749 ( -0.222 11.910 0.818) 11.940 17.856 ( 0.148 -5.591 1.829) 5.884 19.042 ( 43.792 5.264 2.279) 44.166 20.016 ( 60.155 -7.073 -7.037) 60.977 21.408 ( -7.004 -2.320 -1.315) 7.494 22.354 ( -0.485 0.063 0.261) 0.554 ======================= Grid point 142 (66/216) ======================= q-point: (-0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.399 ( 15.118 -0.000 -0.000) 15.118 0.820 ( 28.493 -0.000 -0.000) 28.493 1.580 ( 39.848 -0.000 -0.000) 39.848 2.025 ( 22.522 -0.000 -0.000) 22.522 3.134 ( 11.732 -0.000 -0.000) 11.732 4.237 ( 17.197 -0.000 -0.000) 17.197 4.733 ( 1.663 -0.000 -0.000) 1.663 5.460 ( 8.746 -0.000 -0.000) 8.746 5.741 ( -5.656 0.000 0.000) 5.656 6.327 ( 1.377 -0.000 -0.000) 1.377 6.795 ( -4.672 0.000 0.000) 4.672 6.937 ( 3.115 -0.000 -0.000) 3.115 7.513 ( 2.732 -0.000 -0.000) 2.732 8.422 ( 7.818 -0.000 -0.000) 7.818 8.637 ( 8.587 -0.000 -0.000) 8.587 8.690 ( -3.956 0.000 0.000) 3.956 8.741 ( -4.414 0.000 0.000) 4.414 9.065 ( 2.243 -0.000 -0.000) 2.243 9.377 ( -0.294 0.000 0.000) 0.294 9.956 ( -17.246 0.000 0.000) 17.246 9.979 ( -2.229 0.000 0.000) 2.229 10.096 ( -2.348 0.000 0.000) 2.348 10.565 ( -3.669 0.000 0.000) 3.669 10.888 ( 11.862 -0.000 -0.000) 11.862 11.501 ( -0.728 0.000 0.000) 0.728 12.401 ( -2.590 0.000 0.000) 2.590 12.448 ( -2.594 0.000 0.000) 2.594 13.283 ( -46.975 0.000 0.000) 46.975 15.277 ( -1.371 0.000 0.000) 1.371 15.613 ( 1.079 -0.000 -0.000) 1.079 16.313 ( -6.906 0.000 0.000) 6.906 17.849 ( 1.462 -0.000 -0.000) 1.462 18.430 ( 35.988 -0.000 -0.000) 35.988 21.635 ( -13.565 0.000 0.000) 13.565 22.304 ( -1.485 0.000 0.000) 1.485 23.626 ( 5.300 -0.000 -0.000) 5.300 ======================= Grid point 144 (67/216) ======================= q-point: ( 0.09 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 9.303 2.043 23.309) 25.180 1.991 ( 7.853 4.084 8.658) 12.382 2.343 ( 24.742 10.671 14.150) 30.434 2.936 ( 16.239 31.979 7.543) 36.650 3.400 ( 14.582 -4.823 3.854) 15.835 4.349 ( 19.668 -0.328 -10.698) 22.392 4.970 ( 13.037 12.958 7.653) 19.911 5.511 ( -7.055 3.918 -2.572) 8.470 5.921 ( -5.186 12.729 2.827) 14.033 6.446 ( -2.314 -5.889 2.755) 6.901 6.771 ( 0.098 5.451 1.987) 5.803 7.043 ( 1.573 1.218 -1.338) 2.398 7.137 ( 3.500 -8.445 -1.499) 9.263 7.852 ( 14.399 -24.548 -3.380) 28.660 8.274 ( 11.123 -17.504 -1.277) 20.779 8.367 ( 2.623 -11.533 -2.608) 12.111 8.623 ( -0.804 -0.878 -2.081) 2.397 8.891 ( 5.131 5.493 -2.432) 7.900 9.468 ( -2.835 9.986 1.877) 10.549 9.636 ( -8.623 -3.545 5.987) 11.080 9.828 ( -2.686 2.935 -0.836) 4.066 10.427 ( -0.047 13.088 -6.799) 14.748 10.897 ( -2.689 -6.831 9.932) 12.351 11.185 ( 4.967 -9.490 -2.236) 10.942 11.254 ( 0.271 -6.008 -4.706) 7.637 11.743 ( -6.743 -2.315 -12.162) 14.098 13.094 ( -32.859 23.386 1.573) 40.362 13.399 ( -43.078 11.737 12.791) 46.445 15.393 ( -2.807 -0.046 4.325) 5.156 15.579 ( -17.907 0.113 -1.367) 17.959 16.813 ( -3.172 23.839 7.169) 25.095 17.846 ( 1.024 1.353 -0.368) 1.736 19.166 ( 37.150 4.088 7.776) 38.175 21.433 ( -8.206 -8.230 -0.664) 11.641 21.932 ( 23.866 -7.157 -23.412) 34.190 22.437 ( 13.237 -9.601 -6.032) 17.429 ======================= Grid point 145 (68/216) ======================= q-point: ( 0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 2.998 1.223 11.696) 12.136 2.208 ( 8.815 -1.064 16.836) 19.033 2.611 ( 26.560 7.978 9.325) 29.258 3.345 ( 15.376 -6.044 3.621) 16.913 3.550 ( 2.165 41.127 2.194) 41.243 4.233 ( 22.817 1.015 -6.343) 23.704 5.224 ( 4.405 8.375 6.490) 11.474 5.592 ( -7.050 9.106 1.400) 11.600 6.115 ( -4.382 8.793 1.349) 9.916 6.334 ( -2.997 -6.756 -3.530) 8.191 6.827 ( 7.333 -1.115 1.808) 7.635 7.011 ( -1.821 1.872 0.131) 2.615 7.182 ( -0.416 3.809 4.512) 5.919 7.563 ( 14.947 -15.323 0.152) 21.407 8.017 ( 12.242 -18.336 -1.047) 22.072 8.183 ( 3.164 -12.249 -1.123) 12.701 8.588 ( 0.082 0.193 -2.213) 2.223 8.880 ( 3.687 0.770 -5.651) 6.791 9.533 ( -10.456 5.050 -1.855) 11.759 9.745 ( -0.739 -0.694 6.768) 6.844 9.946 ( 0.180 5.629 10.712) 12.102 10.477 ( 3.679 8.814 -6.253) 11.416 10.889 ( -1.666 -5.228 -1.153) 5.607 11.018 ( 4.732 -9.249 -0.922) 10.430 11.090 ( 1.273 -7.779 -5.186) 9.436 11.572 ( -7.590 -0.771 -9.644) 12.297 13.353 ( -36.545 12.496 2.330) 38.692 13.692 ( -43.466 10.514 7.389) 45.326 15.448 ( -6.811 0.761 2.915) 7.447 15.569 ( -23.172 -0.138 -0.417) 23.176 17.218 ( -1.723 22.778 5.530) 23.503 17.872 ( 0.446 1.517 1.077) 1.913 19.349 ( 37.860 5.181 9.486) 39.372 21.211 ( 19.050 -13.719 -11.029) 25.938 21.537 ( 13.929 -5.700 -15.210) 21.398 22.357 ( 0.201 -3.447 2.258) 4.125 ======================= Grid point 146 (69/216) ======================= q-point: ( 0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 0.351 1.997 5.432) 5.798 2.355 ( 5.856 -5.713 10.032) 12.945 2.819 ( 22.943 8.152 4.796) 24.816 3.263 ( 16.587 -9.157 0.676) 18.958 4.105 ( 7.695 26.645 2.688) 27.864 4.226 ( 14.703 16.630 -2.749) 22.367 5.318 ( -5.140 -5.721 2.964) 8.242 5.756 ( -8.826 9.124 2.963) 13.035 6.028 ( 4.759 -12.481 -1.502) 13.442 6.388 ( 0.319 10.221 1.827) 10.388 6.854 ( 4.351 2.878 0.723) 5.267 7.036 ( -2.265 -0.235 -0.604) 2.356 7.223 ( 4.663 -0.816 -2.053) 5.160 7.512 ( 7.965 3.342 3.851) 9.457 7.778 ( 12.133 -16.185 0.103) 20.228 8.013 ( 4.671 -13.460 0.773) 14.268 8.573 ( 1.068 1.712 -1.586) 2.566 8.774 ( 2.159 -2.388 -6.312) 7.085 9.597 ( -8.119 6.463 -0.565) 10.392 9.780 ( -3.175 -2.964 2.748) 5.140 10.192 ( 4.369 1.889 13.887) 14.680 10.506 ( 5.688 8.727 -5.510) 11.785 10.724 ( 1.087 -5.227 -8.735) 10.238 10.924 ( 2.799 -5.838 -4.795) 8.057 10.956 ( 0.791 -4.481 2.660) 5.271 11.467 ( -8.678 -1.186 -2.990) 9.255 13.501 ( -36.659 6.284 1.242) 37.214 13.874 ( -43.162 5.795 3.337) 43.676 15.491 ( -12.410 1.155 1.360) 12.537 15.559 ( -24.105 -0.575 -0.315) 24.113 17.544 ( -0.820 17.887 2.041) 18.022 17.899 ( 0.112 -0.711 1.277) 1.466 19.548 ( 37.892 4.070 9.318) 39.232 20.862 ( 38.429 -11.370 -11.005) 41.560 21.346 ( -2.225 -1.499 -7.410) 7.880 22.357 ( -1.825 -3.140 3.364) 4.951 ======================= Grid point 147 (70/216) ======================= q-point: (-0.64 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 0.803 0.207 -2.832) 2.951 2.332 ( 0.881 -5.878 -1.464) 6.122 2.952 ( 21.615 5.455 0.284) 22.295 3.138 ( 18.611 -7.018 -1.680) 19.961 4.196 ( 24.622 -1.755 4.711) 25.130 4.712 ( -5.418 36.318 3.070) 36.848 5.137 ( -5.949 -25.529 2.088) 26.296 5.870 ( -14.108 2.327 1.457) 14.373 5.911 ( 9.048 -4.546 0.983) 10.174 6.493 ( 9.204 1.274 -0.127) 9.292 6.909 ( -1.287 6.512 -2.036) 6.943 6.995 ( -2.068 -3.540 -0.256) 4.108 7.195 ( 10.877 3.974 -3.536) 12.108 7.595 ( 10.314 -8.109 -0.059) 13.120 7.658 ( 2.937 10.388 -0.572) 10.810 7.824 ( 4.682 -15.155 -1.505) 15.933 8.581 ( 2.310 1.701 -1.736) 3.353 8.713 ( 0.956 1.458 1.107) 2.065 9.660 ( -6.076 4.897 -2.207) 8.110 9.752 ( -4.782 -4.034 0.428) 6.271 10.273 ( 5.395 -5.114 -1.576) 7.599 10.525 ( 5.285 6.068 -9.129) 12.169 10.656 ( 1.798 0.861 8.094) 8.336 10.834 ( 4.049 -0.311 -0.926) 4.165 10.944 ( 0.437 -1.093 0.829) 1.440 11.474 ( -9.973 -1.679 6.792) 12.182 13.554 ( -37.284 1.649 -1.138) 37.338 13.943 ( -42.671 0.845 0.435) 42.681 15.508 ( -15.790 0.482 -0.792) 15.817 15.547 ( -21.978 -0.308 -0.354) 21.983 17.740 ( -0.309 11.779 -1.830) 11.925 17.866 ( -0.135 -5.954 -0.433) 5.971 19.656 ( 36.361 -3.126 3.122) 36.629 20.697 ( 41.017 -0.221 0.676) 41.023 21.281 ( -3.583 3.097 -3.292) 5.768 22.360 ( -1.994 -3.464 3.402) 5.249 ======================= Grid point 148 (71/216) ======================= q-point: (-0.55 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 1.823 -3.283 -10.724) 11.363 2.192 ( 0.819 -2.341 -10.247) 10.543 2.869 ( 22.883 -10.222 -5.442) 25.647 3.134 ( 17.234 7.329 -1.437) 18.783 4.250 ( 22.902 -4.123 8.323) 24.713 4.728 ( 0.101 -38.017 2.542) 38.102 5.165 ( -7.868 19.373 3.701) 21.235 5.844 ( -10.933 -7.339 -0.446) 13.175 5.927 ( 7.519 5.072 2.292) 9.355 6.436 ( 9.382 -3.295 -3.581) 10.569 6.866 ( -4.573 -3.366 -5.819) 8.130 7.036 ( 4.412 4.443 3.330) 7.092 7.194 ( 7.050 1.083 -4.339) 8.349 7.555 ( 5.468 -12.179 -5.516) 14.445 7.569 ( 7.332 8.720 -3.560) 11.936 7.828 ( 3.961 13.223 0.242) 13.806 8.572 ( 2.355 1.723 -1.896) 3.480 8.831 ( 0.013 4.134 7.923) 8.937 9.631 ( -8.607 -1.289 -4.892) 9.984 9.725 ( -2.230 -0.105 -0.246) 2.246 10.080 ( 4.019 -7.396 -10.599) 13.535 10.501 ( 1.955 7.708 -7.451) 10.898 10.796 ( 5.779 1.155 6.732) 8.947 10.900 ( 2.151 1.826 6.410) 7.004 10.967 ( 1.305 1.714 4.204) 4.723 11.596 ( -10.830 -2.087 13.663) 17.559 13.514 ( -39.243 -2.115 -4.199) 39.523 13.909 ( -43.033 -4.408 -1.861) 43.298 15.482 ( -12.093 -1.214 -1.985) 12.315 15.543 ( -20.601 1.068 -1.205) 20.664 17.719 ( -0.777 -13.197 -2.590) 13.472 17.819 ( 0.021 6.627 -3.749) 7.614 19.552 ( 34.789 -9.824 -3.675) 36.336 20.865 ( 33.855 10.583 10.451) 36.978 21.344 ( 3.288 8.427 1.837) 9.231 22.359 ( -1.624 -3.607 3.257) 5.124 ======================= Grid point 149 (72/216) ======================= q-point: (-0.45 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 3.758 -4.685 -16.623) 17.675 2.008 ( 2.650 -0.256 -12.076) 12.366 2.624 ( 26.369 -11.736 -7.738) 29.882 3.208 ( 15.446 7.224 -2.460) 17.228 4.097 ( 5.331 -42.271 -0.741) 42.613 4.413 ( 21.632 -8.094 11.213) 25.675 5.271 ( -0.155 -4.882 -0.829) 4.954 5.697 ( -6.407 -10.408 -1.701) 12.340 6.087 ( 2.031 7.746 0.832) 8.051 6.365 ( 1.418 -1.774 0.744) 2.390 6.763 ( 4.712 1.987 -5.044) 7.183 7.040 ( -2.078 -4.702 -1.636) 5.395 7.168 ( 3.089 -0.065 -4.364) 5.348 7.357 ( 10.317 4.289 -5.531) 12.467 7.773 ( 9.339 19.943 0.227) 22.022 8.019 ( 2.086 14.025 0.954) 14.211 8.579 ( 1.683 2.725 -1.417) 3.502 8.982 ( 0.461 0.010 8.042) 8.055 9.550 ( -11.105 0.324 -4.222) 11.884 9.688 ( -0.141 -5.031 -3.400) 6.074 9.864 ( 0.889 -1.910 -7.673) 7.957 10.515 ( 0.401 8.952 -6.871) 11.292 10.842 ( 2.835 -3.894 3.106) 5.732 11.011 ( 3.436 3.034 5.711) 7.323 11.120 ( 1.527 4.476 8.713) 9.914 11.775 ( -11.563 -3.027 16.591) 20.448 13.383 ( -41.998 -5.181 -7.871) 43.042 13.775 ( -43.360 -10.672 -2.997) 44.754 15.428 ( -6.076 -2.336 -2.244) 6.885 15.541 ( -17.260 2.356 -2.207) 17.559 17.452 ( -2.404 -20.574 -3.140) 20.950 17.833 ( 0.447 3.467 -3.081) 4.660 19.352 ( 33.954 -10.154 -4.876) 35.773 21.146 ( 6.604 11.965 4.683) 14.446 21.597 ( 28.143 15.746 13.471) 34.949 22.358 ( -0.802 -2.939 2.967) 4.252 ======================= Grid point 150 (73/216) ======================= q-point: (-0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 5.453 -7.895 -22.582) 24.536 1.891 ( 5.560 2.274 -6.548) 8.886 2.356 ( 29.468 -12.965 -8.071) 33.190 3.243 ( 15.892 -0.370 -2.411) 16.078 3.440 ( 11.855 -42.063 -4.751) 43.959 4.526 ( 19.775 -3.222 11.917) 23.312 5.105 ( 10.322 -15.210 -0.631) 18.393 5.569 ( -4.073 -3.938 -2.323) 6.124 6.027 ( 1.662 -9.328 -3.146) 9.983 6.365 ( -4.210 -0.338 -3.095) 5.236 6.800 ( 1.974 2.142 0.156) 2.917 7.016 ( 0.780 4.616 -3.461) 5.822 7.076 ( 2.077 1.622 2.250) 3.465 7.505 ( 16.117 22.695 -3.728) 28.084 8.055 ( 7.601 19.558 1.693) 21.052 8.219 ( 1.088 13.797 1.100) 13.884 8.605 ( 0.471 3.593 -0.790) 3.708 9.019 ( 2.221 -6.895 4.120) 8.334 9.486 ( 1.656 -7.510 -8.277) 11.298 9.560 ( -15.189 3.407 0.030) 15.566 9.843 ( -1.510 2.473 1.080) 3.092 10.534 ( -1.728 9.092 -8.322) 12.446 10.810 ( 0.261 -9.732 5.927) 11.398 11.109 ( 4.062 3.982 0.672) 5.728 11.289 ( 0.603 4.239 7.022) 8.224 11.965 ( -12.743 -3.618 17.046) 21.588 13.159 ( -43.316 -7.618 -12.021) 45.594 13.545 ( -42.666 -19.008 -2.104) 46.756 15.359 ( -3.444 -2.792 -2.759) 5.222 15.551 ( -9.342 3.601 -1.769) 10.168 17.100 ( -4.995 -26.712 -2.173) 27.261 17.839 ( 1.123 2.020 -1.159) 2.586 19.166 ( 33.781 -8.239 -3.985) 34.999 21.295 ( -10.163 9.469 -2.372) 14.092 22.093 ( 31.467 17.151 20.360) 41.217 22.389 ( 7.720 5.550 3.541) 10.146 ======================= Grid point 152 (74/216) ======================= q-point: (-0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 13.205 -9.204 0.000) 16.096 1.470 ( 23.932 -34.312 0.000) 41.834 1.893 ( 12.390 1.285 -0.000) 12.456 2.578 ( 39.771 -8.354 -0.000) 40.639 3.329 ( 17.756 2.454 -0.000) 17.925 4.543 ( 21.533 -3.820 -0.000) 21.870 4.832 ( 6.287 -7.266 0.000) 9.608 5.571 ( 11.231 4.237 -0.000) 12.004 5.714 ( -5.150 -8.422 0.000) 9.872 6.317 ( -0.512 2.480 -0.000) 2.532 6.739 ( -5.294 -2.380 0.000) 5.804 6.985 ( 3.901 0.652 -0.000) 3.955 7.496 ( 2.935 8.101 -0.000) 8.617 8.400 ( -7.712 29.408 -0.000) 30.403 8.477 ( 7.416 8.351 -0.000) 11.168 8.610 ( 4.110 14.846 -0.000) 15.405 8.819 ( 15.046 33.090 -0.000) 36.351 8.836 ( 5.555 -7.848 0.000) 9.615 9.142 ( 2.410 -5.708 0.000) 6.196 9.692 ( -17.991 2.524 0.000) 18.167 10.037 ( -2.449 3.052 -0.000) 3.913 10.481 ( -5.084 3.140 -0.000) 5.976 10.494 ( -14.756 -39.906 0.000) 42.547 11.042 ( 9.887 -0.248 -0.000) 9.890 11.477 ( -0.734 1.748 -0.000) 1.896 12.258 ( -9.011 2.702 0.000) 9.407 12.666 ( -42.886 -4.935 0.000) 43.169 12.739 ( -15.815 -34.301 0.000) 37.771 15.255 ( -2.486 -0.379 0.000) 2.515 15.627 ( 3.029 2.360 -0.000) 3.840 16.350 ( -7.813 -20.307 0.000) 21.758 17.871 ( 2.091 0.531 -0.000) 2.158 18.954 ( 35.079 -2.903 -0.000) 35.199 21.404 ( -15.439 3.584 0.000) 15.850 22.279 ( -4.057 -1.921 0.000) 4.489 23.474 ( 13.365 29.688 -0.000) 32.558 ======================= Grid point 153 (75/216) ======================= q-point: (-0.09 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 10.798 -0.000 37.359) 38.889 1.262 ( 24.970 -0.000 7.924) 26.197 1.913 ( 12.276 -0.000 1.976) 12.434 2.531 ( 42.217 -0.000 0.258) 42.218 3.365 ( 17.994 -0.000 2.650) 18.188 4.544 ( 21.865 -0.000 4.018) 22.231 4.715 ( 7.658 -0.000 -9.322) 12.064 5.629 ( -6.612 0.000 -3.619) 7.538 5.632 ( 8.424 -0.000 3.591) 9.158 6.353 ( 0.631 -0.000 3.107) 3.171 6.710 ( -5.682 0.000 -1.774) 5.952 6.998 ( 3.890 -0.000 1.130) 4.051 7.508 ( 2.835 -0.000 -5.937) 6.579 8.495 ( -3.578 0.000 -4.555) 5.792 8.565 ( -4.595 0.000 0.413) 4.614 8.684 ( -3.759 0.000 0.404) 3.780 8.772 ( 10.189 -0.000 0.256) 10.193 9.098 ( 2.715 -0.000 -0.407) 2.745 9.263 ( 13.688 -0.000 -19.989) 24.226 9.724 ( -16.923 0.000 0.970) 16.950 9.947 ( -1.607 0.000 -4.912) 5.168 10.000 ( -4.585 0.000 -0.143) 4.588 10.622 ( -4.266 0.000 14.340) 14.961 11.143 ( 5.677 -0.000 12.617) 13.835 11.462 ( -1.276 0.000 -3.735) 3.947 12.234 ( -7.296 0.000 -12.157) 14.178 12.396 ( -3.457 0.000 -1.421) 3.738 12.786 ( -40.666 0.000 16.626) 43.933 15.276 ( -1.721 0.000 3.093) 3.540 15.636 ( -0.475 0.000 -1.122) 1.219 16.232 ( -6.949 0.000 3.651) 7.850 17.866 ( 2.025 -0.000 -1.090) 2.300 18.955 ( 35.849 -0.000 2.863) 35.963 21.455 ( -15.372 0.000 3.633) 15.795 22.243 ( -4.102 0.000 -3.339) 5.289 23.488 ( 12.474 -0.000 -26.854) 29.610 ======================= Grid point 155 (76/216) ======================= q-point: ( 0.09 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 4.556 -0.249 6.755) 8.152 2.323 ( 9.450 4.643 19.998) 22.601 2.780 ( 10.625 17.878 11.360) 23.697 3.209 ( 14.574 13.380 -0.200) 19.786 3.656 ( 15.145 -5.875 2.447) 16.428 4.527 ( 21.001 1.789 -4.543) 21.561 5.231 ( 7.769 4.289 4.975) 10.173 5.409 ( -3.279 6.952 0.178) 7.689 5.827 ( -7.443 16.528 -1.792) 18.215 6.392 ( -3.160 -4.462 -2.830) 6.157 6.866 ( 2.750 4.280 5.854) 7.756 7.019 ( 1.018 -1.030 -3.869) 4.131 7.171 ( -0.059 -4.621 1.232) 4.783 7.897 ( 1.546 -14.067 -1.997) 14.291 8.348 ( 1.643 -9.604 -1.254) 9.824 8.472 ( 14.808 -15.979 -3.601) 22.080 8.585 ( 0.804 -1.811 -0.840) 2.152 8.943 ( 5.928 -0.058 -2.931) 6.613 9.315 ( -10.864 4.979 -2.117) 12.137 9.740 ( 0.128 1.382 6.777) 6.917 9.795 ( -2.796 12.952 3.669) 13.749 10.397 ( 1.611 7.048 1.370) 7.359 10.895 ( -3.401 -1.642 -4.819) 6.123 11.187 ( -0.187 -9.021 2.445) 9.348 11.294 ( 5.491 -14.993 -0.113) 15.967 11.549 ( -2.746 -9.006 -6.055) 11.195 12.734 ( -29.619 10.638 6.019) 32.042 13.024 ( -23.590 16.635 3.741) 29.107 15.303 ( -10.043 1.281 -5.704) 11.621 15.438 ( -2.475 -2.321 3.638) 4.975 16.890 ( -1.667 21.935 7.697) 23.306 17.852 ( 0.719 2.417 -0.557) 2.582 19.789 ( 31.903 2.284 11.666) 34.046 21.243 ( -14.068 -5.098 -4.411) 15.600 21.896 ( 9.769 -2.143 -13.870) 17.099 22.523 ( 11.128 -10.636 -6.599) 16.749 ======================= Grid point 156 (77/216) ======================= q-point: ( 0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 1.005 0.950 4.590) 4.794 2.538 ( 5.014 -8.862 12.717) 16.292 3.038 ( 20.234 6.581 4.665) 21.783 3.528 ( 0.338 26.663 -2.843) 26.817 3.620 ( 12.687 5.708 2.146) 14.076 4.523 ( 23.945 1.578 0.434) 24.001 5.312 ( -2.265 -0.703 3.681) 4.379 5.524 ( -7.974 5.793 1.978) 10.053 6.060 ( -2.751 18.123 -0.480) 18.337 6.307 ( 2.739 -3.151 0.141) 4.177 6.914 ( 1.307 -4.096 -0.844) 4.381 6.985 ( -0.740 2.271 1.375) 2.756 7.192 ( -2.192 3.729 -0.130) 4.328 7.709 ( 7.562 -10.388 -0.552) 12.861 8.191 ( 11.391 -18.191 -0.026) 21.463 8.244 ( 6.228 -9.744 -0.378) 11.570 8.564 ( 1.827 0.880 -1.036) 2.277 8.846 ( 1.625 -4.367 -5.806) 7.444 9.387 ( -8.263 7.459 0.432) 11.140 9.768 ( -3.234 -2.030 1.497) 4.101 10.127 ( 0.963 16.597 10.277) 19.545 10.473 ( 4.280 2.910 -0.075) 5.176 10.772 ( -1.946 -1.849 -9.354) 9.731 11.059 ( 3.103 -11.887 -4.017) 12.926 11.084 ( 0.294 -10.480 1.460) 10.586 11.419 ( -3.949 -6.082 0.494) 7.268 12.926 ( -32.470 7.821 3.956) 33.632 13.245 ( -26.066 11.049 1.293) 28.341 15.274 ( -12.188 2.057 -1.674) 12.473 15.435 ( -3.560 -3.045 1.277) 4.856 17.261 ( -1.298 21.918 3.043) 22.166 17.887 ( 0.119 2.343 0.560) 2.411 19.988 ( 30.837 2.083 12.184) 33.222 21.089 ( -12.369 -5.119 -7.410) 15.300 21.623 ( 25.048 -4.170 -15.794) 29.904 22.405 ( -0.581 -8.035 4.839) 9.398 ======================= Grid point 157 (78/216) ======================= q-point: ( 0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 0.002 0.813 -0.320) 0.873 2.459 ( 0.331 -11.240 -2.597) 11.541 3.155 ( 18.349 5.761 1.362) 19.280 3.486 ( 14.595 -8.500 -0.935) 16.916 4.121 ( -3.655 42.093 2.299) 42.314 4.570 ( 25.476 -0.130 4.618) 25.891 5.296 ( -5.213 -11.201 4.686) 13.213 5.603 ( -16.431 2.669 1.747) 16.738 6.143 ( 9.987 -3.511 1.324) 10.669 6.439 ( 1.749 15.979 2.343) 16.244 6.844 ( -5.294 -3.895 -1.310) 6.702 7.006 ( 1.924 0.505 -1.853) 2.718 7.229 ( 2.646 6.143 -3.660) 7.625 7.632 ( 5.912 1.075 -1.850) 6.287 7.922 ( 10.021 -17.314 -2.755) 20.194 8.106 ( 5.609 -15.355 1.121) 16.386 8.585 ( 3.187 2.718 0.330) 4.202 8.721 ( 0.055 -1.931 -3.795) 4.259 9.498 ( -5.833 7.131 0.492) 9.225 9.733 ( -4.951 -3.767 -0.792) 6.271 10.419 ( 5.100 7.482 -1.014) 9.111 10.459 ( 3.324 2.096 -6.612) 7.691 10.652 ( -1.285 -1.464 4.947) 5.316 10.917 ( 3.729 -3.378 -2.786) 5.751 10.983 ( 0.294 -4.490 0.253) 4.507 11.394 ( -8.171 -6.711 8.202) 13.382 13.045 ( -30.276 4.674 0.890) 30.647 13.350 ( -30.845 5.264 -1.443) 31.324 15.303 ( -11.121 1.917 1.648) 11.405 15.401 ( -5.182 -2.748 -0.328) 5.875 17.535 ( -0.752 18.004 -1.948) 18.124 17.907 ( -0.168 -0.811 -0.078) 0.832 20.142 ( 28.771 -1.807 7.734) 29.847 20.930 ( -9.718 -2.442 -6.853) 12.140 21.437 ( 28.948 1.630 -6.536) 29.722 22.392 ( -3.972 -7.852 7.517) 11.573 ======================= Grid point 158 (79/216) ======================= q-point: (-0.64 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 1.159 -1.963 -7.564) 7.900 2.233 ( -1.814 -5.914 -11.250) 12.839 3.228 ( 17.492 3.244 -1.248) 17.834 3.337 ( 14.562 -7.082 -3.616) 16.591 4.618 ( 18.904 5.252 4.041) 20.032 4.713 ( -0.316 26.239 9.086) 27.770 5.134 ( -2.293 -24.835 6.350) 25.736 5.651 ( -18.483 0.373 2.275) 18.627 6.112 ( 13.887 -4.349 2.461) 14.759 6.607 ( 5.687 3.587 -1.034) 6.803 6.772 ( -5.970 -1.024 -3.989) 7.253 6.995 ( -0.716 3.582 -0.244) 3.661 7.263 ( 8.574 8.601 -7.000) 14.018 7.585 ( -0.876 -2.209 -8.519) 8.844 7.754 ( 8.033 -1.752 -0.292) 8.227 7.865 ( 5.411 -14.400 -3.096) 15.691 8.603 ( 4.778 0.565 -1.189) 4.956 8.750 ( -2.272 4.964 4.326) 6.966 9.554 ( -3.512 1.326 -2.144) 4.323 9.673 ( -5.676 -1.377 -1.139) 5.951 10.267 ( 5.805 -9.302 -9.750) 14.672 10.378 ( -2.482 7.913 -12.786) 15.240 10.873 ( 6.210 1.838 10.701) 12.508 10.898 ( 2.932 4.631 4.645) 7.185 10.976 ( 0.894 -1.323 3.092) 3.480 11.468 ( -13.347 -5.158 13.690) 19.803 13.065 ( -26.629 -0.181 -2.460) 26.743 13.355 ( -35.036 1.589 -3.944) 35.293 15.356 ( -8.078 0.605 2.870) 8.594 15.367 ( -5.880 -1.211 -0.308) 6.011 17.688 ( -0.175 12.948 -4.940) 13.859 17.843 ( -0.626 -7.095 -2.135) 7.435 20.110 ( 27.435 -8.973 -1.543) 28.907 20.873 ( -11.291 4.494 -3.352) 12.606 21.513 ( 31.635 10.149 5.919) 33.746 22.393 ( -4.638 -8.094 7.752) 12.129 ======================= Grid point 159 (80/216) ======================= q-point: (-0.55 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 2.182 -4.557 -13.083) 14.025 2.028 ( -0.158 -0.127 -13.204) 13.205 3.093 ( 19.659 -10.054 -5.862) 22.846 3.329 ( 13.532 6.549 -2.157) 15.187 4.624 ( 10.160 -21.423 6.492) 24.583 4.868 ( 13.368 -19.804 6.847) 24.855 5.141 ( -4.154 16.471 6.394) 18.150 5.671 ( -13.333 -2.623 2.201) 13.766 6.113 ( 12.038 -0.022 2.398) 12.274 6.523 ( 7.241 -8.274 -2.608) 11.300 6.728 ( -1.840 4.612 -4.706) 6.841 7.070 ( -4.004 0.453 0.749) 4.098 7.181 ( 5.548 1.031 -10.220) 11.674 7.447 ( -2.131 -3.217 -9.524) 10.276 7.672 ( 9.123 8.493 -2.274) 12.670 7.888 ( 3.232 10.920 -0.414) 11.395 8.592 ( 4.349 0.717 -1.398) 4.624 8.910 ( -4.670 6.008 6.979) 10.325 9.477 ( -3.094 -4.618 -3.695) 6.675 9.676 ( -4.074 1.629 -0.269) 4.396 9.983 ( 4.228 -9.540 -11.763) 15.724 10.342 ( -3.908 11.533 -11.444) 16.711 10.936 ( 4.206 -1.179 4.051) 5.957 11.022 ( 1.661 1.225 4.070) 4.564 11.118 ( 4.769 2.252 11.848) 12.969 11.622 ( -16.226 -3.199 15.719) 22.817 12.971 ( -25.545 -5.539 -5.499) 26.711 13.294 ( -34.417 -1.025 -5.314) 34.839 15.370 ( -4.322 1.006 1.139) 4.581 15.384 ( -5.392 -1.299 1.593) 5.771 17.657 ( -1.903 -14.777 -3.611) 15.330 17.760 ( 0.502 8.772 -4.769) 9.997 19.919 ( 27.549 -10.774 -5.119) 30.021 20.921 ( -14.217 8.397 -3.141) 16.808 21.835 ( 32.071 16.380 13.738) 38.543 22.390 ( -4.593 -7.490 6.685) 11.041 ======================= Grid point 160 (81/216) ======================= q-point: (-0.45 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 3.097 -7.918 -17.953) 19.864 1.905 ( 3.457 4.885 -7.902) 9.913 2.880 ( 23.418 -9.668 -5.704) 25.969 3.389 ( 13.853 6.955 -2.215) 15.658 4.173 ( 5.318 -45.438 1.030) 45.760 4.870 ( 20.151 -5.160 9.338) 22.801 5.317 ( 3.708 0.555 5.009) 6.256 5.613 ( -3.476 -8.369 0.226) 9.065 6.151 ( 6.899 0.654 -0.679) 6.963 6.369 ( -0.305 -9.868 -1.608) 10.003 6.795 ( 7.302 11.075 -2.332) 13.469 6.955 ( -3.394 -2.513 -4.449) 6.134 7.108 ( -1.887 -2.774 -3.982) 5.207 7.388 ( 1.937 12.828 -4.541) 13.745 7.876 ( 5.887 20.823 -0.801) 21.654 8.047 ( 0.921 14.054 -0.755) 14.104 8.585 ( 2.661 1.466 -1.579) 3.424 9.073 ( -4.137 2.733 6.976) 8.558 9.366 ( -5.324 -3.713 -3.307) 7.285 9.626 ( 1.085 -7.847 -6.240) 10.084 9.788 ( -1.221 1.554 -2.716) 3.359 10.347 ( -4.389 11.796 -10.848) 16.616 10.940 ( 0.531 -8.097 5.680) 9.905 11.111 ( 3.493 4.521 2.017) 6.058 11.279 ( 3.738 1.154 8.417) 9.281 11.798 ( -17.407 -2.626 14.737) 22.958 12.777 ( -25.824 -9.373 -7.792) 28.556 13.184 ( -29.762 -4.826 -4.927) 30.551 15.352 ( -3.427 -3.568 -0.725) 5.000 15.435 ( -1.452 3.974 2.741) 5.042 17.361 ( -4.090 -22.132 -3.418) 22.765 17.805 ( 1.360 5.950 -2.542) 6.612 19.716 ( 28.329 -9.276 -4.512) 30.148 20.990 ( -15.543 9.105 -3.944) 18.440 22.255 ( 16.677 8.217 14.110) 23.339 22.414 ( 7.092 6.627 5.870) 11.344 ======================= Grid point 162 (82/216) ======================= q-point: (-0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 10.127 -9.644 0.000) 13.984 1.998 ( 9.782 5.373 -0.000) 11.161 2.278 ( 22.975 -35.500 0.000) 42.286 3.192 ( 23.542 -16.373 0.000) 28.676 3.527 ( 16.888 5.878 -0.000) 17.882 4.877 ( 17.527 -3.850 -0.000) 17.945 5.119 ( 13.748 -14.133 0.000) 19.717 5.649 ( 7.595 3.284 -0.000) 8.275 5.842 ( 2.041 -13.446 0.000) 13.600 6.254 ( -1.702 3.956 -0.000) 4.306 6.719 ( -4.062 -4.835 0.000) 6.315 7.009 ( 2.745 3.622 -0.000) 4.545 7.392 ( 2.896 13.333 -0.000) 13.644 7.914 ( -7.673 26.355 -0.000) 27.449 8.393 ( 3.036 15.480 -0.000) 15.775 8.471 ( 6.611 19.210 -0.000) 20.316 8.653 ( -0.916 9.575 -0.000) 9.618 9.043 ( 10.225 -6.804 0.000) 12.282 9.256 ( 1.080 -6.937 0.000) 7.020 9.396 ( -17.517 4.193 0.000) 18.012 9.958 ( -1.668 4.109 -0.000) 4.434 10.346 ( -6.337 5.336 -0.000) 8.284 10.717 ( -7.765 -20.997 0.000) 22.387 11.167 ( 8.136 0.149 -0.000) 8.138 11.445 ( 0.067 1.903 -0.000) 1.904 12.049 ( -15.599 3.044 0.000) 15.894 12.296 ( -23.082 -10.482 0.000) 25.351 12.838 ( -15.256 -16.267 0.000) 22.302 15.228 ( -2.879 -1.792 0.000) 3.391 15.631 ( 4.169 4.579 -0.000) 6.193 16.586 ( -6.863 -28.962 0.000) 29.764 17.888 ( 2.527 1.969 -0.000) 3.204 19.462 ( 30.459 -4.567 -0.000) 30.799 21.121 ( -15.924 6.013 0.000) 17.021 22.240 ( -8.320 -5.146 0.000) 9.783 23.286 ( 12.890 26.752 -0.000) 29.696 ======================= Grid point 163 (83/216) ======================= q-point: (-0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 12.275 -1.052 28.166) 30.742 1.839 ( 21.222 -32.146 6.211) 39.017 2.050 ( 10.178 2.370 0.145) 10.451 3.082 ( 30.702 -3.133 0.269) 30.862 3.606 ( 18.181 3.611 1.962) 18.640 4.824 ( 15.960 -0.024 -3.895) 16.428 4.952 ( 18.202 -9.593 -0.109) 20.576 5.579 ( -4.121 -4.672 -5.125) 8.067 5.756 ( 7.449 -1.663 -1.211) 7.728 6.342 ( 0.413 2.766 5.870) 6.502 6.656 ( -4.975 -3.632 -1.355) 6.307 7.049 ( 4.088 1.355 0.521) 4.338 7.493 ( 2.154 7.277 -5.302) 9.258 8.172 ( -19.904 12.223 -1.372) 23.398 8.551 ( 2.632 8.793 -0.503) 9.192 8.615 ( -2.155 2.928 0.580) 3.682 8.901 ( 5.570 11.329 -1.293) 12.690 9.012 ( 15.498 16.024 -6.390) 23.190 9.258 ( 6.178 2.308 6.521) 9.275 9.443 ( -16.844 3.700 0.926) 17.271 9.916 ( -3.900 0.720 -8.755) 9.611 10.301 ( -4.628 -32.179 -5.443) 32.962 10.528 ( -5.251 3.962 15.012) 16.390 11.218 ( 6.272 0.993 6.677) 9.215 11.435 ( -1.242 1.184 -4.322) 4.650 12.021 ( -8.281 7.025 -9.305) 14.301 12.298 ( -22.598 -2.711 8.947) 24.455 12.606 ( -8.810 -20.195 2.252) 22.148 15.243 ( -2.247 0.506 3.268) 3.998 15.639 ( 2.188 1.728 -5.513) 6.178 16.283 ( -4.643 -18.961 4.699) 20.079 17.896 ( 2.515 0.400 -1.112) 2.779 19.440 ( 31.362 -2.079 3.187) 31.592 21.213 ( -15.806 3.444 3.947) 16.652 22.168 ( -9.168 -2.520 -2.984) 9.966 23.479 ( 6.703 16.022 -14.856) 22.854 ======================= Grid point 164 (84/216) ======================= q-point: (-0.09 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 9.262 -0.000 36.477) 37.634 1.700 ( 20.019 -0.000 9.215) 22.038 2.077 ( 7.526 -0.000 2.831) 8.041 3.078 ( 32.661 -0.000 1.430) 32.692 3.666 ( 17.754 -0.000 2.923) 17.993 4.727 ( 13.201 -0.000 -9.589) 16.316 4.927 ( 22.390 -0.000 5.551) 23.068 5.468 ( -6.056 0.000 -6.278) 8.723 5.697 ( 1.025 -0.000 -4.466) 4.582 6.486 ( 4.370 -0.000 11.130) 11.957 6.587 ( -6.184 0.000 -4.034) 7.383 7.058 ( 3.176 -0.000 -0.278) 3.188 7.445 ( 2.765 -0.000 -7.987) 8.452 8.216 ( -18.987 0.000 -3.124) 19.243 8.598 ( 0.896 -0.000 -1.864) 2.068 8.630 ( -2.572 0.000 -0.400) 2.603 8.916 ( 9.282 -0.000 0.436) 9.292 9.119 ( 1.897 -0.000 -1.632) 2.502 9.214 ( 10.595 -0.000 -14.126) 17.658 9.550 ( -7.302 0.000 -0.074) 7.302 9.795 ( -3.173 0.000 -7.113) 7.788 10.037 ( -1.836 0.000 8.612) 8.806 10.784 ( -4.144 0.000 15.795) 16.330 11.347 ( 2.728 -0.000 8.482) 8.910 11.364 ( -2.181 0.000 -6.494) 6.851 12.023 ( -3.906 0.000 -2.146) 4.456 12.317 ( -3.712 0.000 -2.432) 4.438 12.517 ( -26.784 0.000 9.620) 28.460 15.315 ( -1.498 0.000 5.725) 5.918 15.536 ( -2.518 0.000 -9.585) 9.911 16.258 ( -2.162 0.000 9.443) 9.688 17.873 ( 2.194 -0.000 -2.248) 3.141 19.495 ( 31.890 -0.000 6.547) 32.555 21.304 ( -15.553 0.000 4.953) 16.322 22.096 ( -8.745 0.000 -4.788) 9.970 23.297 ( 11.253 -0.000 -24.912) 27.336 ======================= Grid point 166 (85/216) ======================= q-point: ( 0.09 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 1.565 -0.048 1.884) 2.449 2.689 ( 6.706 1.907 13.996) 15.637 2.912 ( -1.210 29.059 -1.355) 29.116 3.341 ( 6.152 -3.710 -1.174) 7.280 3.843 ( 6.770 -4.834 0.743) 8.352 4.776 ( 15.053 3.472 0.594) 15.460 5.229 ( -6.487 1.213 -0.772) 6.644 5.445 ( 1.257 1.075 1.114) 1.994 5.736 ( -1.846 21.096 -0.327) 21.180 6.326 ( -1.126 2.661 -1.631) 3.318 6.959 ( 1.159 2.613 2.950) 4.108 6.982 ( 0.235 -2.855 -1.989) 3.487 7.159 ( -1.396 -4.867 -0.484) 5.087 7.905 ( 0.479 -9.799 0.925) 9.855 8.346 ( 0.158 -0.980 -0.719) 1.226 8.493 ( 1.048 -8.827 -2.865) 9.339 8.727 ( 11.765 -12.015 2.152) 16.953 8.915 ( -4.139 -7.288 -3.947) 9.264 9.194 ( -3.739 7.692 0.354) 8.559 9.740 ( -1.714 2.578 0.408) 3.123 9.869 ( 0.348 18.114 3.596) 18.470 10.497 ( 2.895 2.727 6.703) 7.794 10.737 ( -2.967 1.016 -8.748) 9.293 11.219 ( -0.669 -10.484 2.006) 10.695 11.338 ( 1.456 -23.649 -1.129) 23.721 11.514 ( 2.232 -9.100 0.052) 9.370 12.442 ( -15.815 10.123 1.678) 18.852 12.871 ( -5.246 15.814 1.192) 16.704 15.137 ( -3.757 1.869 -2.885) 5.093 15.457 ( -0.614 -3.721 1.529) 4.069 16.955 ( -0.487 21.118 3.196) 21.364 17.852 ( 0.258 2.966 -0.273) 2.990 20.341 ( 21.852 0.968 11.182) 24.566 20.930 ( -15.577 -2.574 -8.667) 18.010 21.852 ( 2.531 -1.574 -4.290) 5.224 22.563 ( 3.930 -10.021 -2.639) 11.083 ======================= Grid point 167 (86/216) ======================= q-point: ( 0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -1.001 0.256 0.051) 1.035 2.615 ( -1.095 -12.084 -6.565) 13.796 3.299 ( 8.166 0.848 1.738) 8.392 3.465 ( -2.713 41.339 0.992) 41.440 3.777 ( 5.969 -4.227 -0.586) 7.338 4.857 ( 15.871 4.025 3.550) 16.754 5.238 ( -12.305 -1.034 2.210) 12.544 5.458 ( -3.707 -2.932 2.445) 5.322 6.041 ( -0.106 23.451 0.155) 23.452 6.366 ( 1.258 2.742 1.473) 3.357 6.877 ( -1.533 -9.873 0.394) 9.999 7.014 ( 1.032 2.922 -0.552) 3.148 7.152 ( -0.465 4.594 -1.450) 4.840 7.760 ( 3.401 -8.254 -3.562) 9.612 8.254 ( 4.209 -13.362 -6.287) 15.355 8.343 ( 3.086 -10.328 5.083) 11.918 8.646 ( 4.977 -5.022 1.006) 7.142 8.767 ( -0.142 -5.586 -2.627) 6.175 9.319 ( -3.864 8.852 1.281) 9.743 9.726 ( -1.964 -2.780 -1.119) 3.583 10.166 ( -1.695 21.711 -4.568) 22.251 10.563 ( 1.018 1.781 -2.773) 3.450 10.682 ( 1.841 -4.062 6.570) 7.941 11.059 ( 2.412 -13.001 -0.679) 13.240 11.076 ( 0.069 -9.940 -1.199) 10.013 11.428 ( -3.389 -9.507 4.301) 10.971 12.598 ( -15.108 11.163 0.095) 18.785 13.019 ( -7.488 6.845 -1.460) 10.249 15.169 ( -3.867 2.500 2.891) 5.437 15.407 ( -1.122 -3.895 -0.903) 4.153 17.254 ( -0.827 22.164 -2.139) 22.282 17.892 ( -0.238 2.200 0.289) 2.232 20.476 ( 12.615 0.462 5.941) 13.951 20.782 ( -8.644 -3.140 -6.916) 11.507 21.758 ( 15.665 0.366 -5.364) 16.562 22.465 ( -4.032 -11.614 8.064) 14.702 ======================= Grid point 168 (87/216) ======================= q-point: ( 0.27 -0.64 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -1.885 -0.819 -4.503) 4.950 2.305 ( -2.366 -8.695 -15.759) 18.154 3.325 ( 4.099 3.571 -1.279) 5.585 3.612 ( 6.236 -8.731 -2.685) 11.060 4.125 ( -1.710 41.865 4.164) 42.107 4.961 ( 17.287 1.169 5.408) 18.151 5.272 ( -12.970 -3.328 6.585) 14.922 5.436 ( -7.947 -7.472 4.621) 11.847 6.294 ( 7.741 9.767 0.983) 12.501 6.435 ( -6.982 6.816 0.344) 9.763 6.778 ( 0.014 -4.285 0.532) 4.318 7.008 ( 1.915 -1.119 -2.466) 3.317 7.205 ( 2.017 8.744 -4.446) 10.015 7.604 ( 1.847 -2.405 -9.288) 9.770 7.976 ( 4.093 -15.656 -3.371) 16.530 8.162 ( 2.383 -19.407 -2.131) 19.669 8.648 ( -1.521 3.245 1.550) 3.904 8.715 ( 7.138 -2.803 1.352) 7.787 9.445 ( -3.813 7.475 0.833) 8.432 9.653 ( -1.901 -4.123 -2.147) 5.022 10.198 ( -4.425 10.036 -16.499) 19.812 10.491 ( 5.383 -8.174 -6.145) 11.557 10.822 ( 0.428 6.588 9.154) 11.286 10.972 ( 5.643 -3.364 5.482) 8.556 11.022 ( 1.672 -2.143 4.884) 5.590 11.390 ( -10.729 -9.212 8.682) 16.594 12.729 ( -12.389 10.061 -1.810) 16.062 13.021 ( -10.349 -0.200 -4.119) 11.140 15.263 ( -3.014 1.615 5.821) 6.751 15.346 ( -1.380 -2.474 -1.084) 3.033 17.472 ( -0.175 19.171 -5.708) 20.003 17.893 ( -0.610 -2.055 -1.166) 2.440 20.513 ( 5.048 -0.315 -0.376) 5.072 20.642 ( -3.141 -3.965 -6.741) 8.428 21.785 ( 22.192 7.324 3.052) 23.568 22.444 ( -7.999 -12.880 11.469) 19.011 ======================= Grid point 169 (88/216) ======================= q-point: (-0.64 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( -1.458 -1.345 -16.175) 16.296 2.017 ( -0.936 -3.650 -9.846) 10.542 3.360 ( 3.492 5.486 -2.531) 6.978 3.432 ( 7.402 -9.438 -4.628) 12.857 4.703 ( -1.247 33.740 4.795) 34.102 4.999 ( 8.144 -11.150 6.977) 15.470 5.280 ( 8.102 -12.343 9.138) 17.363 5.445 ( -17.927 -0.056 5.956) 18.891 6.336 ( 12.903 -2.438 1.498) 13.217 6.496 ( -12.751 1.950 -1.347) 12.969 6.799 ( 9.151 4.026 -1.733) 10.146 6.943 ( -4.364 -1.126 -1.175) 4.658 7.236 ( 4.870 9.327 -10.367) 14.771 7.398 ( -2.913 -4.725 -13.204) 14.323 7.814 ( 3.137 -3.948 -2.238) 5.517 7.874 ( 1.974 -12.219 -3.295) 12.809 8.697 ( 8.730 -2.830 1.220) 9.258 8.745 ( -6.099 5.478 3.096) 8.763 9.527 ( -0.030 2.206 0.345) 2.234 9.577 ( -3.439 -1.892 -1.283) 4.130 10.116 ( -3.716 10.264 -13.716) 17.530 10.210 ( 3.884 -11.872 -11.669) 17.094 10.964 ( 2.804 5.412 2.300) 6.515 11.036 ( 0.052 -2.741 5.368) 6.028 11.186 ( 9.300 3.068 13.953) 17.047 11.435 ( -16.639 -5.462 11.964) 21.209 12.800 ( -6.113 4.694 -3.366) 8.410 12.925 ( -14.966 -2.316 -5.540) 16.126 15.326 ( -0.610 0.554 0.855) 1.188 15.348 ( -2.457 -1.067 4.773) 5.473 17.613 ( 0.908 14.906 -5.958) 16.079 17.790 ( -1.474 -9.021 -3.253) 9.702 20.404 ( 21.820 -10.273 -4.448) 24.524 20.576 ( -19.636 7.435 -5.590) 21.728 22.021 ( 22.610 13.577 9.619) 28.073 22.427 ( -9.934 -13.361 10.751) 19.819 ======================= Grid point 170 (89/216) ======================= q-point: (-0.55 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 0.873 -7.631 -13.717) 15.721 1.861 ( 1.291 6.668 -10.302) 12.340 3.247 ( 12.078 -7.884 -3.962) 14.957 3.416 ( 2.613 7.581 -2.732) 8.471 4.757 ( 1.168 -35.245 4.685) 35.574 5.087 ( 4.810 11.952 2.709) 13.165 5.331 ( 11.851 0.451 11.544) 16.550 5.551 ( -10.909 2.630 5.223) 12.377 6.303 ( 11.668 -4.416 0.147) 12.477 6.487 ( -5.525 -1.815 -1.050) 5.909 6.768 ( 9.467 0.528 -1.010) 9.535 6.962 ( -8.130 0.639 -2.742) 8.603 7.087 ( 3.891 -1.299 -11.246) 11.971 7.241 ( -7.281 4.838 -10.238) 13.463 7.758 ( 6.929 6.872 -1.578) 9.886 7.868 ( -3.501 9.442 -2.363) 10.344 8.668 ( 7.873 -2.986 0.107) 8.420 8.868 ( -11.039 6.290 3.034) 13.063 9.474 ( 4.882 -7.132 0.767) 8.676 9.621 ( -4.285 4.051 1.562) 6.100 9.878 ( 4.422 -10.573 -11.625) 16.324 10.111 ( -5.749 12.602 -11.632) 18.088 11.032 ( 0.029 -5.300 4.128) 6.718 11.085 ( 1.654 4.633 3.083) 5.805 11.369 ( 10.163 -0.265 9.510) 13.921 11.565 ( -17.697 -0.829 11.586) 21.169 12.704 ( -2.874 -8.568 -4.760) 10.214 12.877 ( -14.563 3.787 -4.402) 15.678 15.360 ( -2.631 -3.921 1.564) 4.974 15.384 ( 1.288 4.003 3.092) 5.220 17.568 ( -3.003 -16.593 -3.980) 17.326 17.716 ( 2.014 11.021 -3.628) 11.776 20.201 ( 23.262 -9.779 -4.593) 25.649 20.624 ( -19.187 9.610 -4.412) 21.908 22.353 ( 6.028 0.730 10.379) 12.025 22.405 ( 1.978 4.353 7.985) 9.307 ======================= Grid point 172 (90/216) ======================= q-point: (-0.36 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 7.064 -8.866 0.000) 11.336 2.023 ( 8.477 10.032 -0.000) 13.134 2.964 ( 21.582 -16.920 0.000) 27.424 3.597 ( 6.031 9.087 -0.000) 10.906 3.702 ( 4.400 -34.841 0.000) 35.118 5.133 ( 10.751 -4.772 0.000) 11.762 5.500 ( 13.821 -10.144 0.000) 17.144 5.699 ( 6.261 3.992 -0.000) 7.425 6.104 ( 5.333 -17.470 0.000) 18.266 6.204 ( 1.988 1.732 -0.000) 2.636 6.758 ( -1.580 -6.774 0.000) 6.956 6.943 ( -0.872 8.872 -0.000) 8.915 7.232 ( 1.844 15.457 -0.000) 15.566 7.469 ( -14.174 18.284 -0.000) 23.134 8.176 ( -0.214 18.387 -0.000) 18.388 8.236 ( 0.099 23.201 -0.000) 23.201 8.593 ( 1.460 -1.300 0.000) 1.955 9.074 ( -17.739 5.164 0.000) 18.475 9.303 ( 12.858 -7.997 0.000) 15.142 9.378 ( 0.984 -7.478 0.000) 7.542 9.887 ( -0.265 4.594 -0.000) 4.602 10.151 ( -8.963 8.256 -0.000) 12.186 10.858 ( -4.655 -13.075 0.000) 13.879 11.262 ( 7.266 3.267 -0.000) 7.967 11.468 ( 6.789 -1.402 -0.000) 6.932 11.773 ( -15.776 3.691 0.000) 16.202 12.302 ( 0.607 -12.586 0.000) 12.601 12.809 ( -7.652 -5.051 0.000) 9.169 15.227 ( -2.777 -3.948 0.000) 4.827 15.620 ( 4.646 6.425 -0.000) 7.929 16.888 ( -4.584 -27.882 0.000) 28.256 17.884 ( 2.966 4.534 -0.000) 5.418 19.922 ( 25.662 -5.879 -0.000) 26.327 20.798 ( -16.966 8.452 -0.000) 18.955 22.178 ( -14.766 -9.456 0.000) 17.534 23.112 ( 7.931 21.775 -0.000) 23.174 ======================= Grid point 173 (91/216) ======================= q-point: (-0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 10.615 -2.236 21.456) 24.042 2.132 ( 9.610 6.417 -0.543) 11.568 2.605 ( 19.284 -38.064 3.600) 42.821 3.431 ( 10.304 -6.999 -0.549) 12.468 3.724 ( 8.146 7.795 1.781) 11.414 5.044 ( 11.313 -4.062 -4.062) 12.688 5.361 ( 19.467 -9.511 0.037) 21.666 5.620 ( 0.165 -4.437 -8.325) 9.435 5.908 ( 5.469 -9.062 -3.813) 11.250 6.306 ( 2.336 4.291 7.287) 8.773 6.677 ( -2.410 -7.106 1.258) 7.608 7.054 ( 2.124 5.348 1.141) 5.866 7.382 ( 0.968 12.350 -5.161) 13.420 7.711 ( -19.783 14.339 2.027) 24.517 8.391 ( -2.612 14.542 -0.757) 14.794 8.563 ( 2.935 6.559 1.620) 7.366 8.639 ( -0.229 22.461 0.507) 22.468 9.118 ( -12.982 3.655 -2.275) 13.677 9.202 ( 6.023 -4.064 -1.160) 7.358 9.369 ( 6.046 -3.623 8.808) 11.282 9.851 ( -3.677 1.121 -8.169) 9.028 10.372 ( -6.013 7.288 14.315) 17.152 10.602 ( -2.969 -21.058 -4.458) 21.728 11.300 ( 7.461 2.653 1.286) 8.022 11.422 ( 2.935 -0.614 -4.585) 5.478 11.811 ( -8.066 9.511 -5.978) 13.829 12.193 ( -0.594 -9.491 5.434) 10.953 12.713 ( -5.849 -11.684 1.579) 13.161 15.214 ( -2.123 -1.006 3.138) 3.920 15.645 ( 3.729 3.738 -6.917) 8.702 16.552 ( -1.814 -26.410 5.013) 26.943 17.920 ( 2.802 1.690 -0.835) 3.377 19.879 ( 26.357 -3.631 3.067) 26.782 20.925 ( -16.177 6.625 3.685) 17.865 22.050 ( -16.166 -6.232 -3.058) 17.593 23.316 ( 2.924 17.776 -9.252) 20.251 ======================= Grid point 174 (92/216) ======================= q-point: (-0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 10.577 3.718 31.543) 33.476 2.175 ( 10.044 1.150 -1.752) 10.260 2.200 ( 14.372 -29.257 8.247) 33.624 3.408 ( 14.382 1.381 0.218) 14.450 3.835 ( 9.014 4.297 2.199) 10.225 4.924 ( 12.715 -2.074 -6.883) 14.607 5.275 ( 20.768 -5.132 2.127) 21.499 5.438 ( -2.643 -5.211 -7.078) 9.178 5.734 ( 0.997 -4.156 -8.721) 9.712 6.455 ( -0.367 5.057 1.818) 5.386 6.619 ( 1.086 -6.665 6.166) 9.145 7.095 ( 2.776 1.122 -1.305) 3.267 7.425 ( 1.211 7.279 -7.121) 10.254 7.881 ( -20.370 6.753 2.370) 21.590 8.516 ( -4.453 5.932 -2.181) 7.731 8.588 ( -3.038 1.642 0.539) 3.495 8.941 ( 2.603 15.010 -1.181) 15.280 9.114 ( 7.146 2.780 -3.443) 8.405 9.167 ( -13.287 -0.305 -1.166) 13.341 9.519 ( 9.794 6.241 6.099) 13.117 9.750 ( -4.009 -0.642 -5.467) 6.809 10.229 ( 0.952 -21.683 -1.446) 21.752 10.688 ( -4.899 4.592 16.817) 18.108 11.325 ( -2.304 0.947 -7.299) 7.713 11.397 ( 8.167 2.673 5.168) 10.028 11.898 ( 1.699 16.006 -4.547) 16.726 12.183 ( -6.077 -3.516 5.037) 8.641 12.530 ( -5.102 -19.281 1.229) 19.982 15.283 ( -1.400 1.250 5.980) 6.268 15.529 ( 1.199 0.007 -12.296) 12.354 16.370 ( 2.155 -15.524 9.617) 18.388 17.907 ( 2.473 -0.066 -2.426) 3.464 19.912 ( 26.569 -1.516 6.466) 27.386 21.059 ( -16.125 3.686 4.874) 17.244 21.940 ( -16.388 -2.703 -3.897) 17.060 23.311 ( 2.217 9.351 -17.382) 19.862 ======================= Grid point 175 (93/216) ======================= q-point: (-0.09 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 13.919 -0.000 6.817) 15.499 2.118 ( 11.150 -0.000 7.815) 13.617 2.265 ( 1.816 -0.000 23.819) 23.888 3.433 ( 14.430 -0.000 1.022) 14.466 3.890 ( 8.408 -0.000 1.586) 8.556 4.814 ( 14.401 -0.000 -6.497) 15.798 5.277 ( 10.573 -0.000 -0.367) 10.579 5.318 ( 4.320 -0.000 -1.969) 4.747 5.580 ( -3.078 0.000 -8.274) 8.828 6.431 ( -5.650 0.000 -6.176) 8.370 6.722 ( 4.970 -0.000 11.071) 12.136 7.065 ( 1.366 -0.000 -3.253) 3.528 7.381 ( 2.233 -0.000 -6.040) 6.440 7.963 ( -15.520 0.000 3.204) 15.847 8.497 ( -5.463 0.000 -4.606) 7.146 8.615 ( -2.133 0.000 0.137) 2.137 9.018 ( 3.406 -0.000 0.081) 3.407 9.111 ( 2.527 -0.000 -3.063) 3.971 9.120 ( -5.862 0.000 -4.076) 7.140 9.531 ( 8.232 -0.000 -5.015) 9.639 9.705 ( -1.812 0.000 -0.308) 1.838 10.168 ( 1.353 -0.000 10.498) 10.585 10.889 ( -4.210 0.000 5.182) 6.676 11.261 ( -2.832 0.000 -0.879) 2.965 11.493 ( 6.620 -0.000 4.480) 7.993 12.079 ( 7.539 -0.000 4.388) 8.724 12.232 ( -3.182 0.000 -2.565) 4.087 12.294 ( -15.390 0.000 1.845) 15.500 15.348 ( -0.683 0.000 -12.485) 12.504 15.387 ( -0.826 0.000 6.706) 6.757 16.409 ( 2.865 -0.000 10.438) 10.824 17.864 ( 1.919 -0.000 -3.061) 3.613 20.014 ( 26.287 -0.000 9.536) 27.963 21.126 ( -16.867 0.000 0.479) 16.874 21.884 ( -14.401 0.000 -1.333) 14.462 23.105 ( 5.767 -0.000 -20.029) 20.843 ======================= Grid point 178 (94/216) ======================= q-point: ( 0.18 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( -3.993 -0.712 -4.531) 6.081 2.373 ( -4.140 -7.213 -20.003) 21.663 3.199 ( -13.456 9.403 -5.278) 17.243 3.561 ( 2.803 32.107 5.181) 32.643 3.745 ( -7.360 -4.384 -2.735) 8.992 4.866 ( -18.381 5.998 4.378) 19.824 5.246 ( 4.888 -2.103 2.791) 6.009 5.464 ( -0.671 0.932 2.022) 2.325 6.051 ( 0.416 23.093 1.038) 23.120 6.352 ( -3.317 -1.144 0.268) 3.519 6.921 ( 3.679 -6.753 1.782) 7.894 6.978 ( -3.231 1.372 -1.235) 3.722 7.146 ( 1.856 3.821 -2.230) 4.798 7.721 ( 1.471 -10.880 -5.338) 12.208 8.208 ( -0.381 -14.299 -3.396) 14.702 8.396 ( -5.433 -17.785 1.404) 18.649 8.594 ( -2.480 -0.093 -0.678) 2.573 8.894 ( 7.139 -5.728 5.148) 10.502 9.300 ( 0.745 8.410 -0.351) 8.450 9.705 ( 1.797 -2.683 -2.101) 3.852 9.989 ( -3.181 12.827 -13.225) 18.696 10.531 ( -0.892 7.308 1.791) 7.577 10.820 ( 2.784 -2.959 0.681) 4.119 11.077 ( 0.866 -5.106 3.553) 6.280 11.136 ( 1.069 -12.633 5.044) 13.645 11.422 ( -1.798 -8.584 4.072) 9.669 12.554 ( 10.733 11.429 -3.285) 16.019 12.983 ( 7.902 6.624 -3.596) 10.920 15.236 ( 2.643 1.660 7.071) 7.729 15.380 ( 0.840 -2.787 -2.597) 3.901 17.187 ( 0.188 23.323 -6.252) 24.147 17.887 ( -0.673 1.205 -0.115) 1.385 20.218 ( -24.661 3.292 -9.844) 26.757 20.947 ( 16.851 -6.981 2.056) 18.355 21.919 ( 7.166 3.392 5.323) 9.549 22.503 ( -10.208 -14.438 11.163) 20.911 ======================= Grid point 179 (95/216) ======================= q-point: ( 0.27 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -5.331 -0.725 -17.093) 17.919 2.065 ( -1.375 -3.909 -10.957) 11.714 3.216 ( -12.909 5.960 -4.636) 14.955 3.573 ( -5.614 -8.950 -3.409) 11.101 4.174 ( -0.604 42.143 3.819) 42.320 5.034 ( -17.107 6.310 6.302) 19.292 5.256 ( -0.011 -6.142 6.899) 9.236 5.512 ( 4.806 -1.369 4.694) 6.856 6.283 ( -10.557 2.795 -0.133) 10.921 6.374 ( 1.874 13.194 -0.812) 13.352 6.835 ( 2.118 -9.661 2.204) 10.133 6.982 ( 0.396 3.866 -3.764) 5.411 7.160 ( 1.809 5.282 -5.901) 8.123 7.481 ( 1.613 -8.946 -9.883) 13.428 7.951 ( -1.769 -16.725 -2.157) 16.956 8.111 ( -2.355 -18.596 -3.885) 19.142 8.628 ( -2.645 2.463 0.710) 3.684 8.891 ( 9.488 -5.472 4.655) 11.901 9.391 ( -2.785 7.294 -1.512) 7.952 9.649 ( 2.665 -2.330 -0.451) 3.569 9.923 ( -3.724 8.632 -13.395) 16.365 10.442 ( 4.328 -11.742 -10.464) 16.313 10.878 ( -0.268 9.120 3.563) 9.795 11.093 ( 0.336 -4.938 4.755) 6.864 11.207 ( -3.284 1.092 12.244) 12.724 11.423 ( 5.919 -4.997 10.138) 12.759 12.644 ( 6.211 10.823 -5.017) 13.449 12.966 ( 11.171 0.111 -4.575) 12.072 15.328 ( 1.494 0.341 -0.374) 1.578 15.348 ( 0.818 -1.010 5.970) 6.110 17.392 ( 1.531 20.913 -6.332) 21.904 17.857 ( -1.195 -4.031 -2.162) 4.727 20.168 ( -24.677 6.811 -6.951) 26.527 20.815 ( 17.674 -9.732 -3.709) 20.514 22.101 ( 10.404 8.909 8.637) 16.193 22.464 ( -14.138 -17.221 12.769) 25.681 ======================= Grid point 182 (96/216) ======================= q-point: (-0.45 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 4.190 -8.319 0.000) 9.314 1.968 ( 7.172 14.695 -0.000) 16.352 3.264 ( 5.152 -2.078 0.000) 5.555 3.443 ( -8.350 11.258 -0.000) 14.017 4.284 ( 1.363 -44.637 0.000) 44.658 5.279 ( 3.282 -1.777 0.000) 3.732 5.660 ( 4.348 7.284 -0.000) 8.483 5.711 ( 4.114 5.035 -0.000) 6.502 6.312 ( 8.985 -5.465 0.000) 10.517 6.403 ( 3.527 -13.418 0.000) 13.873 6.770 ( -4.050 8.522 -0.000) 9.436 6.790 ( -7.429 -1.781 0.000) 7.639 7.047 ( -15.994 11.859 -0.000) 19.910 7.109 ( 8.242 7.047 -0.000) 10.844 7.906 ( -5.327 19.510 -0.000) 20.224 7.954 ( -0.072 13.442 -0.000) 13.443 8.719 ( 7.871 -7.063 0.000) 10.575 8.771 ( -16.294 4.131 0.000) 16.810 9.490 ( 0.434 -7.746 0.000) 7.758 9.598 ( 12.542 -8.739 0.000) 15.286 9.824 ( 0.793 5.417 -0.000) 5.475 9.887 ( -9.911 10.999 -0.000) 14.805 10.927 ( -6.000 -8.952 0.000) 10.776 11.264 ( 2.374 5.126 -0.000) 5.649 11.553 ( -9.501 2.563 0.000) 9.840 11.702 ( 20.155 -3.255 -0.000) 20.417 12.605 ( 21.212 -9.360 0.000) 23.185 12.789 ( 2.119 1.365 -0.000) 2.520 15.253 ( -2.553 -5.407 0.000) 5.980 15.591 ( 4.609 7.744 -0.000) 9.012 17.183 ( -1.677 -22.893 0.000) 22.955 17.847 ( 3.478 7.902 -0.000) 8.633 20.336 ( 21.640 -6.936 -0.000) 22.724 20.418 ( -19.315 11.001 -0.000) 22.228 22.072 ( -23.381 -14.569 0.000) 27.549 22.928 ( 2.566 17.053 -0.000) 17.245 ======================= Grid point 183 (97/216) ======================= q-point: (-0.36 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 7.994 -2.133 16.685) 18.624 2.143 ( 8.550 11.121 -0.366) 14.033 3.219 ( 11.420 -9.757 1.296) 15.077 3.607 ( -6.392 9.680 1.833) 11.744 3.698 ( -2.352 -36.146 -1.107) 36.239 5.204 ( 2.696 -3.571 -4.482) 6.333 5.659 ( 8.838 -0.844 -6.588) 11.055 5.693 ( 7.327 -0.981 -4.496) 8.653 6.152 ( 4.057 -16.256 -3.796) 17.179 6.338 ( 7.934 0.265 5.935) 9.912 6.744 ( -3.211 -5.503 2.023) 6.685 6.950 ( -1.644 10.283 3.626) 11.027 7.201 ( -5.631 12.771 -3.471) 14.383 7.280 ( -11.309 11.899 5.080) 17.184 8.132 ( -4.031 16.187 -1.223) 16.726 8.263 ( -2.157 25.918 4.686) 26.426 8.632 ( 3.696 -5.645 -0.041) 6.747 8.821 ( -17.631 3.981 -0.493) 18.082 9.381 ( 4.685 -6.532 -1.042) 8.106 9.551 ( 10.524 -6.228 7.114) 14.147 9.779 ( -3.368 2.761 -8.358) 9.425 10.170 ( -5.978 9.801 14.772) 18.708 10.774 ( -4.879 -12.949 -2.084) 13.994 11.296 ( 0.793 4.241 -3.879) 5.801 11.528 ( -1.608 2.802 -8.936) 9.502 11.665 ( 10.669 -0.233 0.177) 10.673 12.500 ( 25.548 -8.688 2.148) 27.070 12.786 ( 1.905 -4.988 2.643) 5.958 15.214 ( -1.569 -2.850 2.808) 4.297 15.641 ( 4.605 5.688 -6.397) 9.720 16.893 ( 1.196 -24.887 4.732) 25.361 17.924 ( 2.953 3.981 -0.446) 4.976 20.274 ( 22.082 -5.128 2.729) 22.834 20.580 ( -17.908 9.943 3.116) 20.719 21.876 ( -25.163 -10.797 -3.550) 27.611 23.104 ( -1.249 15.786 -6.453) 17.099 ======================= Grid point 184 (98/216) ======================= q-point: (-0.27 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 9.023 3.424 28.131) 29.740 2.241 ( 8.582 6.395 -2.284) 10.944 2.884 ( 13.416 -40.036 2.842) 42.319 3.444 ( -5.725 0.215 -2.291) 6.170 3.780 ( -4.962 8.202 2.770) 9.979 5.082 ( 2.804 -2.460 -6.801) 7.757 5.499 ( 4.834 -4.367 -9.218) 11.287 5.611 ( 14.102 -4.218 -1.902) 14.842 5.876 ( 3.795 -13.008 -7.352) 15.416 6.419 ( 2.806 2.068 0.454) 3.516 6.723 ( 1.030 -5.509 7.002) 8.969 7.088 ( 0.597 4.400 0.522) 4.471 7.289 ( -1.543 12.498 -6.979) 14.398 7.514 ( -15.980 8.689 8.217) 19.959 8.315 ( -6.494 12.091 -0.327) 13.728 8.548 ( -3.948 -0.939 -1.154) 4.219 8.687 ( 0.671 21.735 3.276) 21.990 8.865 ( -17.340 4.175 -0.800) 17.853 9.289 ( 6.582 -5.691 -1.234) 8.788 9.624 ( 9.042 -1.590 9.782) 13.415 9.706 ( -2.158 0.568 -3.830) 4.433 10.467 ( -2.343 -4.144 1.811) 5.093 10.567 ( -3.962 -5.434 10.981) 12.877 11.273 ( -2.242 2.223 -7.083) 7.755 11.467 ( 5.361 7.460 -5.352) 10.632 11.694 ( 1.089 7.375 -3.042) 8.052 12.428 ( 27.835 -6.925 2.076) 28.758 12.714 ( 1.482 -13.296 3.759) 13.896 15.258 ( -0.559 0.157 5.863) 5.892 15.559 ( 4.563 1.925 -12.237) 13.202 16.677 ( 5.109 -21.379 8.712) 23.645 17.938 ( 2.460 0.812 -2.085) 3.325 20.278 ( 21.888 -3.009 5.701) 22.818 20.752 ( -17.672 7.420 4.158) 19.613 21.706 ( -25.767 -6.220 -3.923) 26.796 23.158 ( -2.966 11.892 -12.349) 17.399 ======================= Grid point 185 (99/216) ======================= q-point: (-0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 10.759 2.660 23.040) 25.567 2.257 ( 5.818 2.053 -1.335) 6.312 2.464 ( 7.613 -26.156 6.853) 28.090 3.465 ( -5.158 4.439 -1.392) 6.946 3.889 ( -4.874 3.881 1.267) 6.358 4.962 ( 3.022 -0.685 -7.320) 7.948 5.317 ( 1.803 -5.764 -6.727) 9.040 5.546 ( 13.269 -2.057 -1.295) 13.490 5.628 ( 5.177 -6.866 -8.380) 12.007 6.381 ( -1.498 -1.161 -5.271) 5.601 6.798 ( 3.944 -1.338 8.786) 9.723 7.081 ( 0.587 -0.002 -3.991) 4.034 7.346 ( 0.335 8.253 -5.538) 9.944 7.726 ( -13.263 4.271 9.772) 17.019 8.399 ( -6.571 2.471 -2.721) 7.529 8.535 ( -5.562 1.954 0.580) 5.924 8.912 ( -16.826 5.154 -0.532) 17.606 8.941 ( -1.740 10.623 0.189) 10.766 9.190 ( 5.043 -4.349 -3.069) 7.333 9.666 ( 2.846 -0.513 0.052) 2.892 9.728 ( 7.051 -1.792 1.199) 7.373 10.281 ( 2.852 -10.374 4.869) 11.810 10.809 ( -4.594 2.980 7.899) 9.612 11.199 ( -3.182 2.306 -3.084) 4.995 11.558 ( 4.811 4.572 1.937) 6.914 11.826 ( -4.002 23.029 -3.795) 23.680 12.368 ( 26.951 -4.773 0.153) 27.371 12.525 ( 2.297 -22.479 3.180) 22.819 15.358 ( 1.469 1.695 2.569) 3.410 15.391 ( 3.595 -0.312 -8.782) 9.495 16.573 ( 7.256 -12.633 8.934) 17.090 17.897 ( 1.983 -0.645 -3.418) 4.004 20.349 ( 20.570 -1.119 8.088) 22.132 20.856 ( -19.044 3.064 -0.298) 19.291 21.631 ( -23.561 -1.495 1.250) 23.641 23.081 ( -1.950 6.101 -15.563) 16.829 ======================= Grid point 186 (100/216) ======================= q-point: (-0.09 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 5.410 -0.000 -3.087) 6.229 2.255 ( 6.467 -0.000 1.223) 6.581 2.665 ( 3.246 -0.000 21.310) 21.556 3.488 ( -6.779 0.000 -0.673) 6.812 3.920 ( -5.263 0.000 -0.238) 5.268 4.861 ( 0.107 0.000 -6.660) 6.661 5.190 ( 0.198 0.000 -4.745) 4.749 5.474 ( 6.656 -0.000 -6.057) 9.000 5.528 ( 8.564 -0.000 -0.754) 8.597 6.293 ( -0.987 0.000 -4.825) 4.925 6.894 ( 2.968 -0.000 5.665) 6.396 7.020 ( -0.069 0.000 -3.863) 3.863 7.337 ( 0.819 -0.000 -3.776) 3.863 7.893 ( -8.744 0.000 9.972) 13.263 8.355 ( -5.019 0.000 -4.138) 6.505 8.571 ( -5.202 0.000 1.214) 5.341 8.959 ( -13.531 0.000 1.018) 13.569 9.002 ( -3.960 0.000 -0.374) 3.978 9.111 ( 2.628 -0.000 -3.238) 4.170 9.594 ( 11.094 -0.000 -6.336) 12.776 9.731 ( 1.380 -0.000 3.180) 3.467 10.353 ( 3.657 -0.000 10.724) 11.331 10.794 ( -3.576 0.000 -8.308) 9.045 11.283 ( -3.207 0.000 7.953) 8.576 11.596 ( -0.049 0.000 0.103) 0.114 12.169 ( -1.815 0.000 -1.226) 2.190 12.182 ( -3.500 0.000 1.644) 3.867 12.358 ( 29.648 -0.000 0.366) 29.650 15.217 ( 5.493 -0.000 -9.916) 11.336 15.467 ( -0.048 -0.000 5.355) 5.355 16.593 ( 6.210 -0.000 6.120) 8.719 17.843 ( 1.297 -0.000 -3.110) 3.370 20.452 ( 14.050 -0.000 6.460) 15.464 20.833 ( -16.343 0.000 -3.824) 16.784 21.692 ( -18.835 0.000 7.481) 20.267 22.907 ( 0.392 0.000 -14.547) 14.552 ======================= Grid point 189 (101/216) ======================= q-point: ( 0.18 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -7.139 -0.209 -19.727) 20.980 2.072 ( -3.898 -2.288 -11.486) 12.344 2.845 ( -23.138 11.174 -8.282) 26.996 3.522 ( -16.394 -4.121 -3.667) 17.298 3.592 ( -4.971 36.541 0.507) 36.881 4.669 ( -21.991 4.125 9.489) 24.303 5.252 ( -6.810 4.602 -0.542) 8.236 5.503 ( 3.996 6.947 0.732) 8.048 6.072 ( 0.226 15.823 -0.115) 15.825 6.334 ( 0.976 -5.010 0.336) 5.115 6.875 ( -3.587 5.388 -3.909) 7.562 7.013 ( 0.546 -10.289 3.897) 11.016 7.112 ( 0.111 3.938 -4.457) 5.948 7.672 ( -2.335 -18.553 -2.682) 18.891 8.151 ( -4.752 -18.449 -0.678) 19.063 8.264 ( -8.274 -16.321 -0.783) 18.315 8.605 ( 0.626 -0.185 0.860) 1.080 9.000 ( -2.483 0.020 5.122) 5.693 9.372 ( 11.657 2.385 -1.182) 11.957 9.649 ( -2.329 3.250 -8.459) 9.356 9.828 ( 1.992 3.403 -4.900) 6.289 10.568 ( 0.801 3.394 1.584) 3.830 10.789 ( 1.927 0.146 -5.584) 5.909 11.154 ( -5.618 -7.317 3.573) 9.893 11.179 ( 0.334 -3.608 8.048) 8.826 11.598 ( 9.999 -2.195 11.671) 15.524 12.763 ( 29.954 9.206 -7.692) 32.267 13.152 ( 24.357 10.861 -4.848) 27.106 15.354 ( 2.696 0.229 -2.226) 3.504 15.409 ( 6.439 -1.139 4.994) 8.228 17.110 ( 2.236 25.176 -6.237) 26.033 17.869 ( -1.079 -0.418 -0.783) 1.397 19.702 ( -30.698 5.475 -7.898) 32.167 21.159 ( 14.220 -8.598 -2.318) 16.778 22.078 ( -4.209 1.159 13.271) 13.971 22.475 ( -16.237 -16.090 11.196) 25.453 ======================= Grid point 192 (102/216) ======================= q-point: ( 0.45 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 1.310 -7.576 0.000) 7.688 1.837 ( 5.772 18.644 -0.000) 19.517 3.091 ( -18.406 12.751 -0.000) 22.392 3.239 ( -10.692 -2.450 0.000) 10.969 4.808 ( 0.787 -27.035 0.000) 27.046 5.236 ( -0.921 16.046 -0.000) 16.072 5.469 ( -5.207 14.040 -0.000) 14.974 5.705 ( 2.611 1.019 -0.000) 2.803 6.338 ( -6.864 13.289 -0.000) 14.957 6.450 ( -2.489 -0.532 0.000) 2.545 6.603 ( -15.397 3.346 0.000) 15.756 6.702 ( 0.633 -3.748 0.000) 3.801 6.970 ( 5.068 -14.566 0.000) 15.422 7.245 ( 10.613 -0.138 -0.000) 10.614 7.606 ( -7.547 11.068 -0.000) 13.396 7.835 ( -2.253 1.490 -0.000) 2.702 8.535 ( -12.145 0.527 0.000) 12.156 8.977 ( 11.867 -10.424 0.000) 15.795 9.582 ( -4.299 -4.099 0.000) 5.940 9.620 ( -3.232 8.543 -0.000) 9.134 9.721 ( 1.721 7.583 -0.000) 7.776 9.906 ( 9.120 -9.236 0.000) 12.979 10.952 ( -5.906 -8.078 0.000) 10.006 11.217 ( 0.976 5.094 -0.000) 5.186 11.421 ( -6.467 1.762 0.000) 6.703 12.050 ( 21.444 -3.349 -0.000) 21.704 12.861 ( 15.121 4.852 -0.000) 15.880 13.132 ( 43.892 -1.573 -0.000) 43.920 15.296 ( -2.162 -6.065 0.000) 6.438 15.545 ( 4.244 8.367 -0.000) 9.382 17.440 ( 0.963 -16.523 0.000) 16.551 17.769 ( 3.853 11.621 -0.000) 12.244 19.964 ( -23.072 13.096 -0.000) 26.530 20.707 ( 17.927 -7.475 0.000) 19.424 21.907 ( -33.573 -20.320 0.000) 39.244 22.738 ( -1.330 12.575 -0.000) 12.645 ======================= Grid point 193 (103/216) ======================= q-point: ( 0.55 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 5.028 -2.158 12.795) 13.916 2.075 ( 7.071 15.519 0.443) 17.060 3.216 ( -11.886 0.406 -0.874) 11.925 3.289 ( -15.430 12.659 3.156) 20.206 4.318 ( 5.358 -43.178 -1.571) 43.538 5.202 ( -5.575 -0.361 -10.438) 11.839 5.690 ( 4.172 13.720 -4.631) 15.070 5.742 ( 4.124 3.317 0.264) 5.299 6.348 ( -0.056 -2.483 -5.831) 6.338 6.492 ( 3.258 -5.180 2.909) 6.776 6.623 ( -8.607 6.659 -0.616) 10.900 6.810 ( -3.836 2.250 8.861) 9.914 6.891 ( -9.993 3.994 5.478) 12.076 7.243 ( 8.380 -1.397 1.839) 8.692 7.845 ( -4.441 19.329 0.621) 19.842 7.935 ( -5.062 13.701 2.298) 14.786 8.553 ( -14.864 1.304 0.638) 14.935 8.823 ( 8.165 -10.083 -1.933) 13.118 9.500 ( 0.103 -6.347 1.118) 6.445 9.673 ( -1.608 6.563 -5.984) 9.026 9.800 ( 9.573 -7.627 4.459) 13.027 9.974 ( -2.984 9.221 13.032) 16.240 10.831 ( -6.551 -9.286 -0.791) 11.392 11.245 ( -0.240 3.920 -4.673) 6.104 11.408 ( -5.433 3.056 -6.501) 9.007 11.943 ( 16.394 -5.585 -5.442) 18.154 12.913 ( 13.997 -1.230 3.494) 14.479 13.121 ( 49.083 -2.734 2.377) 49.217 15.244 ( -0.798 -4.105 2.645) 4.948 15.622 ( 4.911 7.167 -4.528) 9.798 17.227 ( 4.144 -19.370 3.858) 20.181 17.893 ( 2.825 6.994 -0.122) 7.544 20.155 ( -21.441 13.046 2.335) 25.207 20.631 ( 18.234 -6.332 2.274) 19.436 21.631 ( -35.512 -15.992 -4.487) 39.205 22.874 ( -4.281 12.618 -4.657) 14.115 ======================= Grid point 194 (104/216) ======================= q-point: (-0.36 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 6.687 4.164 23.576) 24.858 2.240 ( 7.390 10.588 -1.743) 13.029 3.213 ( -13.807 1.930 -1.649) 14.038 3.498 ( -13.391 9.548 3.242) 16.763 3.681 ( 4.668 -45.687 -2.177) 45.976 5.040 ( -8.836 1.015 -12.729) 15.529 5.648 ( 7.389 -2.909 -6.381) 10.187 5.776 ( 8.886 2.943 -4.657) 10.455 6.144 ( 4.740 -15.054 -5.220) 16.623 6.458 ( 1.798 -0.134 -1.095) 2.109 6.732 ( -4.275 2.991 5.346) 7.470 6.982 ( -2.639 8.496 4.477) 9.959 7.074 ( -6.937 9.495 1.619) 11.870 7.297 ( -1.190 2.229 7.296) 7.721 8.042 ( -7.234 13.952 -0.414) 15.722 8.271 ( -5.973 22.345 4.204) 23.508 8.584 ( -15.602 1.850 0.508) 15.719 8.679 ( 3.761 -6.329 -1.533) 7.520 9.433 ( 2.013 -6.184 0.121) 6.505 9.677 ( 0.857 2.100 -0.918) 2.447 9.799 ( 8.840 -5.330 8.565) 13.413 10.306 ( -4.699 10.586 13.782) 18.003 10.681 ( -5.433 -12.047 0.015) 13.216 11.207 ( -1.789 3.205 -7.161) 8.047 11.337 ( -2.848 7.757 -11.958) 14.535 11.790 ( 8.378 -4.764 -5.778) 11.237 12.910 ( 14.423 -7.996 4.365) 17.059 13.113 ( 50.638 -4.250 2.700) 50.887 15.266 ( 0.660 -1.326 5.616) 5.808 15.599 ( 6.991 4.193 -9.498) 12.516 17.043 ( 7.579 -19.594 6.949) 22.128 17.947 ( 2.104 2.789 -1.423) 3.772 20.356 ( -21.168 10.961 2.460) 23.964 20.608 ( 17.719 -4.318 5.067) 18.929 21.383 ( -36.443 -10.444 -4.986) 38.236 22.939 ( -5.827 11.170 -8.878) 15.413 ======================= Grid point 195 (105/216) ======================= q-point: (-0.27 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 3.560 5.236 16.912) 18.058 2.327 ( 9.869 6.986 5.293) 13.199 3.028 ( 5.573 -42.052 -2.796) 42.512 3.221 ( -19.258 3.890 -3.119) 19.893 3.674 ( -13.906 7.390 2.122) 15.890 4.886 ( -10.570 2.279 -12.618) 16.617 5.486 ( 6.432 -8.408 -5.723) 12.034 5.707 ( 7.958 -0.552 -6.686) 10.409 5.875 ( 9.387 -12.704 -5.214) 16.634 6.416 ( 1.943 -1.378 -3.901) 4.571 6.842 ( 0.484 0.798 6.814) 6.878 7.070 ( -1.863 0.820 -1.936) 2.809 7.193 ( -0.095 12.937 -3.259) 13.341 7.502 ( -8.879 5.180 12.646) 16.296 8.215 ( -8.370 10.002 1.271) 13.104 8.449 ( -6.053 1.648 -2.483) 6.747 8.604 ( -14.623 4.296 -0.435) 15.247 8.742 ( -3.378 11.227 3.448) 12.221 9.326 ( 2.558 -7.574 -2.063) 8.256 9.705 ( 3.147 -0.652 3.123) 4.481 9.869 ( 7.170 -3.469 6.760) 10.447 10.438 ( -0.471 -7.391 0.112) 7.406 10.689 ( -5.258 3.125 11.872) 13.355 11.125 ( -3.172 2.081 -6.993) 7.956 11.384 ( -1.680 20.194 -6.711) 21.346 11.671 ( 0.280 -1.681 -4.902) 5.190 12.805 ( 10.058 -17.061 3.778) 20.162 13.076 ( 53.709 -4.710 0.494) 53.918 15.353 ( 1.141 0.880 6.802) 6.953 15.487 ( 10.360 1.483 -11.318) 15.415 16.898 ( 9.965 -16.784 6.856) 20.689 17.930 ( 1.689 -0.279 -3.064) 3.510 20.450 ( -20.581 4.243 -4.982) 21.597 20.677 ( 12.944 -0.805 9.582) 16.125 21.261 ( -34.035 -2.992 1.738) 34.210 22.925 ( -5.587 8.280 -11.548) 15.269 ======================= Grid point 196 (106/216) ======================= q-point: (-0.18 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 4.376 1.709 -5.099) 6.933 2.504 ( 3.906 -25.479 -2.685) 25.916 2.695 ( 3.863 3.550 17.315) 18.092 3.237 ( -22.742 4.244 -2.489) 23.268 3.759 ( -13.553 3.307 -0.072) 13.950 4.749 ( -12.320 2.435 -11.965) 17.346 5.288 ( 3.758 -9.489 -4.017) 10.968 5.597 ( 3.586 -0.468 -7.824) 8.619 5.685 ( 13.082 -6.203 -4.311) 15.107 6.339 ( 4.571 -1.930 -2.593) 5.599 6.930 ( 2.021 0.895 3.919) 4.500 7.021 ( -0.679 -0.940 -3.422) 3.613 7.289 ( 0.318 7.361 -3.276) 8.063 7.738 ( -9.961 3.890 11.983) 16.061 8.287 ( -5.106 0.170 -0.368) 5.122 8.460 ( -7.049 2.927 1.643) 7.808 8.685 ( -15.238 7.598 0.686) 17.041 8.893 ( -6.076 5.326 0.712) 8.111 9.192 ( 1.840 -7.621 -2.173) 8.135 9.725 ( 5.012 -0.859 -0.278) 5.093 9.824 ( 5.712 -6.713 -0.750) 8.847 10.429 ( 3.818 -2.453 9.003) 10.082 10.750 ( -3.166 0.047 -6.270) 7.024 11.192 ( -4.020 5.389 7.652) 10.186 11.549 ( -4.138 2.587 -2.702) 5.578 11.729 ( -3.417 27.826 -1.812) 28.094 12.552 ( 3.432 -27.350 2.170) 27.650 13.008 ( 56.336 -3.160 -2.528) 56.481 15.349 ( 13.043 0.102 -9.386) 16.069 15.458 ( 0.774 1.451 5.466) 5.708 16.789 ( 10.484 -10.360 3.471) 15.143 17.870 ( 1.232 -1.211 -3.568) 3.964 20.350 ( -26.242 0.468 -12.494) 29.068 20.821 ( 12.423 -0.292 11.981) 17.262 21.352 ( -28.987 1.701 10.797) 30.979 22.844 ( -4.098 4.351 -11.980) 13.388 ======================= Grid point 197 (107/216) ======================= q-point: (-0.09 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 2.179 -0.000 -5.627) 6.034 2.255 ( -1.147 0.000 -6.514) 6.614 2.876 ( -0.868 0.000 4.085) 4.176 3.249 ( -23.017 0.000 -1.326) 23.055 3.771 ( -13.360 0.000 -0.833) 13.386 4.613 ( -15.271 0.000 -9.789) 18.139 5.185 ( 4.216 -0.000 -0.503) 4.246 5.465 ( -5.319 0.000 -10.461) 11.736 5.603 ( 15.505 -0.000 -1.537) 15.581 6.318 ( 7.123 -0.000 1.525) 7.285 6.966 ( 1.848 -0.000 -0.378) 1.887 6.974 ( -0.852 0.000 -1.482) 1.710 7.293 ( -0.842 0.000 -2.603) 2.736 7.919 ( -9.582 0.000 9.764) 13.680 8.288 ( -1.228 0.000 1.915) 2.275 8.519 ( -6.130 0.000 3.145) 6.890 8.788 ( -14.205 0.000 3.000) 14.519 8.918 ( -7.450 0.000 -0.249) 7.454 9.094 ( 0.780 -0.000 -1.985) 2.132 9.657 ( 9.415 -0.000 -4.919) 10.622 9.784 ( 1.891 -0.000 -0.168) 1.898 10.534 ( 3.148 -0.000 2.362) 3.936 10.658 ( 0.421 -0.000 -0.621) 0.750 11.338 ( -3.371 0.000 5.708) 6.629 11.518 ( -5.840 0.000 -2.275) 6.267 12.156 ( 0.007 -0.000 1.418) 1.419 12.162 ( -2.908 0.000 -0.083) 2.909 12.933 ( 54.682 -0.000 -4.745) 54.888 15.248 ( 13.700 -0.000 -4.666) 14.473 15.524 ( 0.530 -0.000 2.076) 2.142 16.730 ( 8.478 -0.000 -1.567) 8.621 17.818 ( 0.540 -0.000 -2.258) 2.321 20.156 ( -30.483 0.000 -15.060) 34.000 20.997 ( 13.767 -0.000 13.304) 19.145 21.550 ( -24.979 0.000 14.764) 29.016 22.720 ( -3.048 0.000 -9.565) 10.039 ======================= Grid point 202 (108/216) ======================= q-point: ( 0.36 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -1.596 -6.040 0.000) 6.247 1.638 ( 4.076 21.688 -0.000) 22.067 2.613 ( -23.293 15.059 -0.000) 27.737 3.092 ( -15.308 -4.826 0.000) 16.051 4.709 ( -8.281 47.371 -0.000) 48.090 4.913 ( -6.508 3.772 -0.000) 7.522 5.316 ( -8.487 -1.566 0.000) 8.631 5.726 ( 1.803 11.376 -0.000) 11.518 6.125 ( -3.784 -2.855 0.000) 4.741 6.354 ( -2.612 4.307 -0.000) 5.037 6.433 ( -11.586 -9.053 0.000) 14.704 6.836 ( 4.361 -5.080 0.000) 6.695 7.196 ( 6.477 2.886 -0.000) 7.091 7.272 ( -2.730 5.538 -0.000) 6.175 7.484 ( -8.762 -16.673 0.000) 18.836 7.879 ( -1.712 -11.847 0.000) 11.970 8.436 ( -6.209 -4.826 0.000) 7.864 9.306 ( 13.877 -11.558 0.000) 18.060 9.385 ( -2.475 11.498 -0.000) 11.762 9.622 ( 0.958 9.439 -0.000) 9.487 9.682 ( -0.956 -7.525 0.000) 7.585 10.136 ( 6.122 -8.648 0.000) 10.596 10.974 ( -5.103 -5.807 0.000) 7.731 11.166 ( 1.252 4.621 -0.000) 4.788 11.313 ( -7.220 -0.655 0.000) 7.249 12.347 ( 15.422 -1.903 -0.000) 15.538 13.099 ( 28.445 5.064 -0.000) 28.892 13.859 ( 65.099 7.273 -0.000) 65.504 15.352 ( -1.403 -6.097 0.000) 6.256 15.493 ( 4.137 8.049 -0.000) 9.050 17.641 ( 2.549 -9.849 0.000) 10.173 17.646 ( 3.960 15.235 -0.000) 15.742 19.430 ( -27.471 14.235 -0.000) 30.940 21.022 ( 11.677 -7.822 0.000) 14.055 21.677 ( -43.020 -26.000 0.000) 50.267 22.567 ( -2.889 8.465 -0.000) 8.945 ======================= Grid point 203 (109/216) ======================= q-point: ( 0.45 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 1.875 -2.013 9.548) 9.937 1.931 ( 5.205 19.013 1.778) 19.793 2.840 ( -19.724 15.358 2.910) 25.167 3.031 ( -17.522 -3.940 -0.190) 17.960 4.791 ( -0.453 -11.811 -7.431) 13.961 5.139 ( -1.615 -1.857 -7.326) 7.729 5.356 ( -5.192 29.925 -3.725) 30.599 5.770 ( 0.288 -3.997 6.771) 7.868 6.190 ( -6.301 13.315 -5.861) 15.854 6.355 ( -10.646 5.833 -1.268) 12.205 6.502 ( -3.986 1.146 8.919) 9.837 6.825 ( 4.006 -2.996 7.200) 8.767 7.012 ( 0.154 -21.370 -0.364) 21.374 7.368 ( 4.442 3.465 1.892) 5.942 7.544 ( -3.638 16.266 2.434) 16.845 7.761 ( -6.664 -2.784 -0.979) 7.288 8.396 ( -9.459 -3.560 2.051) 10.313 9.100 ( 9.719 -11.412 -5.808) 16.076 9.506 ( -1.505 3.955 -0.477) 4.258 9.626 ( 1.033 -2.107 2.514) 3.439 9.805 ( -0.195 9.998 8.099) 12.869 10.047 ( 6.250 -8.979 3.947) 11.630 10.867 ( -4.965 -8.499 -1.185) 9.914 11.189 ( -0.356 3.618 -4.566) 5.837 11.289 ( -7.314 1.738 -5.001) 9.029 12.220 ( 12.725 -4.927 -9.989) 16.911 13.191 ( 24.012 -1.049 7.772) 25.260 13.935 ( 67.494 4.592 -0.138) 67.650 15.302 ( 0.924 -4.929 3.645) 6.199 15.592 ( 5.280 7.843 -1.610) 9.591 17.511 ( 6.204 -12.311 2.572) 14.024 17.814 ( 2.108 10.182 0.066) 10.398 19.636 ( -26.065 15.239 1.354) 30.224 20.931 ( 9.558 -6.901 0.735) 11.812 21.323 ( -41.862 -21.287 -4.947) 47.223 22.662 ( -5.122 9.140 -3.251) 10.971 ======================= Grid point 204 (110/216) ======================= q-point: ( 0.55 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 4.060 4.362 18.750) 19.674 2.166 ( 5.495 14.146 0.053) 15.176 2.946 ( -21.729 -2.002 -2.391) 21.952 3.115 ( -17.181 12.948 4.651) 22.010 4.369 ( 6.684 -39.232 -4.528) 40.054 4.865 ( -11.255 0.204 -18.716) 21.840 5.663 ( 4.046 17.852 -6.840) 19.541 5.839 ( 4.825 0.740 3.797) 6.184 6.215 ( -4.716 6.890 -7.582) 11.278 6.450 ( -4.061 3.176 -0.141) 5.157 6.617 ( -5.607 -3.829 7.011) 9.759 6.847 ( -4.208 -0.391 5.522) 6.953 6.941 ( 0.509 2.480 7.867) 8.264 7.381 ( 5.355 -5.931 3.631) 8.777 7.756 ( -8.202 12.347 -1.574) 14.906 7.903 ( -5.699 20.156 4.628) 21.452 8.394 ( -11.229 -2.375 3.291) 11.940 8.865 ( 5.406 -10.513 -6.444) 13.464 9.500 ( -0.912 -3.526 0.991) 3.775 9.681 ( 3.924 2.351 3.602) 5.823 9.992 ( 6.804 -5.687 6.219) 10.831 10.108 ( -3.396 9.359 12.213) 15.757 10.734 ( -6.031 -9.425 -0.215) 11.192 11.145 ( -1.479 2.684 -7.372) 7.983 11.213 ( -4.901 3.817 -10.897) 12.543 11.983 ( 7.977 -6.442 -12.073) 15.839 13.251 ( 20.159 -8.448 9.194) 23.712 13.977 ( 67.793 2.625 -0.798) 67.849 15.321 ( 3.871 -3.112 6.408) 8.108 15.643 ( 9.034 5.812 -4.209) 11.537 17.387 ( 9.563 -13.846 4.503) 17.419 17.916 ( 1.100 5.575 -0.563) 5.711 19.856 ( -26.423 14.296 1.196) 30.066 20.841 ( -9.882 -6.142 -2.900) 11.991 21.023 ( -23.707 -14.613 -0.946) 27.865 22.717 ( -6.211 9.010 -6.109) 12.533 ======================= Grid point 205 (111/216) ======================= q-point: ( 0.64 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 3.182 7.701 13.805) 16.124 2.327 ( 6.440 10.138 5.221) 13.096 2.869 ( -26.523 -2.136 -4.336) 26.960 3.333 ( -15.890 10.764 3.023) 19.430 3.713 ( 5.398 -46.366 -5.337) 46.983 4.656 ( -14.072 5.132 -17.608) 23.118 5.652 ( 6.057 -1.129 -7.386) 9.618 5.820 ( 6.527 -3.649 -4.484) 8.719 6.155 ( 5.762 -6.424 -4.066) 9.539 6.392 ( -2.147 2.107 -4.084) 5.073 6.756 ( -6.072 6.431 6.696) 11.093 6.993 ( -6.071 3.223 5.115) 8.568 7.070 ( 3.859 7.715 1.113) 8.697 7.390 ( -2.448 -1.825 7.455) 8.056 7.921 ( -9.885 13.819 0.414) 16.995 8.217 ( -7.067 16.356 1.651) 17.893 8.420 ( -10.900 -1.259 3.371) 11.479 8.684 ( 0.902 -4.555 -2.545) 5.295 9.445 ( 0.684 -6.791 0.739) 6.865 9.765 ( 5.354 1.056 4.420) 7.023 10.015 ( 4.523 -6.056 8.197) 11.150 10.389 ( -3.619 8.338 6.524) 11.188 10.647 ( -5.813 -7.025 6.453) 11.170 11.051 ( -3.621 2.199 -10.097) 10.950 11.154 ( -0.557 11.418 -9.490) 14.857 11.744 ( 2.300 -5.824 -9.903) 11.717 13.202 ( 15.098 -17.183 7.661) 24.122 13.979 ( 68.668 1.106 -2.579) 68.725 15.386 ( 4.556 -1.266 6.803) 8.285 15.632 ( 14.731 2.976 -5.547) 16.020 17.262 ( 11.905 -14.276 4.074) 19.030 17.944 ( 0.886 1.337 -1.998) 2.562 19.990 ( -31.025 7.736 -5.805) 32.498 20.720 ( -38.632 -1.806 -1.114) 38.691 20.946 ( 6.354 -6.415 7.406) 11.678 22.732 ( -5.930 7.980 -7.988) 12.753 ======================= Grid point 206 (112/216) ======================= q-point: (-0.27 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 3.431 3.646 -4.685) 6.857 2.666 ( 3.379 9.520 13.545) 16.897 2.757 ( -28.318 -4.603 -7.347) 29.615 3.058 ( -0.016 -36.994 -3.047) 37.120 3.485 ( -15.168 6.906 0.876) 16.689 4.499 ( -15.197 5.238 -15.307) 22.196 5.484 ( 4.575 -8.868 -5.801) 11.543 5.652 ( 0.665 -6.173 -9.544) 11.386 5.989 ( 13.872 -9.261 -2.540) 16.872 6.397 ( 2.976 4.241 -2.878) 5.927 6.894 ( -2.353 4.763 1.732) 5.587 7.020 ( -2.001 -1.255 -0.015) 2.362 7.199 ( 2.277 7.774 0.701) 8.131 7.526 ( -10.666 4.353 7.958) 14.001 8.120 ( -10.144 11.475 3.058) 15.618 8.327 ( -6.007 3.745 -2.577) 7.533 8.446 ( -8.519 0.981 3.111) 9.122 8.722 ( -5.589 5.665 2.745) 8.418 9.342 ( 2.076 -9.898 0.606) 10.131 9.807 ( 4.515 -1.578 1.733) 5.087 9.996 ( 2.942 -9.074 1.557) 9.665 10.486 ( 1.143 0.774 5.401) 5.575 10.698 ( -3.594 0.118 -0.822) 3.688 11.046 ( -4.437 7.814 3.391) 9.605 11.271 ( -2.992 20.759 -4.836) 21.524 11.577 ( -1.586 -2.213 -5.427) 6.072 12.998 ( 9.229 -27.055 5.018) 29.023 13.932 ( 70.082 -0.003 -5.409) 70.290 15.462 ( 3.517 0.358 4.338) 5.596 15.579 ( 19.248 0.105 -4.461) 19.759 17.116 ( 13.224 -12.779 0.638) 18.401 17.904 ( 0.838 -1.418 -3.163) 3.566 19.883 ( -38.629 0.158 -14.623) 41.305 20.821 ( -39.131 5.735 9.616) 40.701 21.019 ( 10.860 -2.367 11.069) 15.686 22.708 ( -4.653 5.995 -8.831) 11.644 ======================= Grid point 207 (113/216) ======================= q-point: (-0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 2.423 0.906 -7.589) 8.018 2.388 ( -4.632 -21.140 -12.071) 24.781 2.697 ( -30.097 -2.957 -5.525) 30.742 2.990 ( -1.671 3.733 5.655) 6.979 3.554 ( -13.885 3.402 -0.547) 14.306 4.366 ( -16.536 3.238 -11.992) 20.682 5.308 ( 3.909 -6.572 -3.231) 8.301 5.413 ( -4.740 -6.079 -12.014) 14.275 5.861 ( 16.415 -4.958 -2.201) 17.288 6.424 ( 7.523 1.567 1.561) 7.841 6.936 ( -1.724 2.658 -1.541) 3.523 6.998 ( 0.365 -0.807 -1.819) 2.023 7.258 ( 0.083 2.721 -2.313) 3.573 7.703 ( -16.418 4.805 8.795) 19.235 8.260 ( -3.830 2.025 4.349) 6.139 8.386 ( -8.016 5.985 2.540) 10.322 8.547 ( -6.767 7.184 3.538) 10.484 8.797 ( -8.295 1.418 0.458) 8.428 9.204 ( 1.442 -12.343 0.705) 12.447 9.776 ( 4.594 -1.918 -1.814) 5.298 9.862 ( 3.705 -6.481 -3.288) 8.157 10.556 ( 1.244 2.235 -4.342) 5.039 10.688 ( 2.656 -0.579 7.360) 7.846 11.241 ( -4.432 5.972 6.912) 10.153 11.418 ( -7.601 4.196 -3.299) 9.288 11.681 ( -2.131 27.606 0.501) 27.693 12.630 ( 3.641 -35.763 2.489) 36.034 13.828 ( 69.956 -0.652 -8.855) 70.517 15.487 ( 15.197 0.681 -2.433) 15.405 15.542 ( 7.923 -1.098 1.034) 8.066 16.946 ( 13.272 -8.194 -4.783) 16.314 17.837 ( 0.485 -1.707 -2.728) 3.254 19.658 ( -41.246 -0.781 -16.003) 44.248 21.074 ( -39.394 4.489 15.938) 42.733 21.176 ( 11.520 0.194 12.981) 17.357 22.648 ( -3.353 3.220 -8.620) 9.794 ======================= Grid point 208 (114/216) ======================= q-point: (-0.09 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( -6.748 0.000 -14.124) 15.653 2.129 ( 0.352 0.000 -8.946) 8.953 2.589 ( -35.490 0.000 -7.314) 36.236 2.984 ( -4.488 0.000 -9.901) 10.871 3.566 ( -13.125 0.000 -1.171) 13.177 4.263 ( -17.786 0.000 -5.106) 18.505 5.144 ( -10.267 0.000 -15.120) 18.277 5.298 ( 5.707 -0.000 3.248) 6.567 5.797 ( 15.436 -0.000 -2.173) 15.588 6.481 ( 8.729 -0.000 4.682) 9.905 6.913 ( -0.946 0.000 -8.622) 8.674 6.959 ( -1.431 0.000 1.695) 2.218 7.237 ( -2.662 0.000 -2.164) 3.431 7.888 ( -16.311 0.000 12.256) 20.402 8.348 ( -0.420 -0.000 6.541) 6.554 8.478 ( -7.763 0.000 3.839) 8.661 8.687 ( -5.787 0.000 4.256) 7.184 8.793 ( -9.277 0.000 -0.539) 9.292 9.087 ( 0.506 -0.000 -0.427) 0.662 9.737 ( 9.590 -0.000 -1.862) 9.769 9.770 ( 0.218 0.000 -3.196) 3.203 10.461 ( 1.492 -0.000 -9.135) 9.256 10.838 ( 5.230 -0.000 11.639) 12.760 11.338 ( -3.263 0.000 1.029) 3.421 11.418 ( -5.899 0.000 0.131) 5.901 12.092 ( -3.817 0.000 -2.172) 4.392 12.205 ( 1.410 -0.000 3.902) 4.149 13.676 ( 66.275 -0.000 -12.111) 67.373 15.467 ( 21.782 -0.000 0.109) 21.782 15.535 ( 0.773 -0.000 -1.773) 1.934 16.785 ( 11.026 -0.000 -9.802) 14.753 17.799 ( -0.107 0.000 -0.870) 0.876 19.439 ( -40.991 0.000 -14.444) 43.461 21.355 ( 2.742 -0.000 11.966) 12.276 21.368 ( -29.973 0.000 21.444) 36.854 22.562 ( -3.629 0.000 -6.484) 7.431 ======================= Grid point 212 (115/216) ======================= q-point: ( 0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 2.017 24.019 -0.000) 24.103 1.663 ( -3.855 -3.618 0.000) 5.287 2.050 ( -24.855 19.113 -0.000) 31.354 2.979 ( -10.506 -5.896 0.000) 12.047 3.868 ( -11.904 56.172 -0.000) 57.420 4.658 ( -9.850 13.299 -0.000) 16.549 5.224 ( -8.339 -2.083 0.000) 8.595 5.429 ( -2.969 23.942 -0.000) 24.126 6.206 ( 1.646 -2.476 0.000) 2.973 6.285 ( 5.268 9.676 -0.000) 11.017 6.569 ( -4.751 -26.983 0.000) 27.399 6.914 ( 0.145 -2.151 0.000) 2.156 7.078 ( -15.555 1.622 0.000) 15.640 7.125 ( 1.040 9.067 -0.000) 9.127 7.709 ( -5.361 -24.595 0.000) 25.173 8.042 ( -0.993 -13.745 0.000) 13.781 8.471 ( -2.216 -8.374 0.000) 8.662 9.225 ( 0.511 11.266 -0.000) 11.277 9.496 ( 0.366 9.790 -0.000) 9.797 9.661 ( 14.409 -10.661 0.000) 17.924 9.776 ( -0.753 -8.657 0.000) 8.689 10.303 ( 2.602 -7.420 0.000) 7.863 10.923 ( -7.330 0.761 0.000) 7.370 11.138 ( 2.452 3.340 -0.000) 4.143 11.278 ( -4.315 -6.868 0.000) 8.111 12.520 ( 9.007 1.479 -0.000) 9.128 13.495 ( 34.374 2.867 -0.000) 34.494 14.712 ( 74.302 14.305 -0.000) 75.667 15.419 ( -0.076 -5.679 0.000) 5.679 15.476 ( 10.758 6.580 -0.000) 12.610 17.482 ( 4.858 18.233 -0.000) 18.869 17.769 ( 2.901 -3.820 0.000) 4.797 18.836 ( -29.898 14.210 -0.000) 33.103 21.115 ( -34.206 -19.841 0.000) 39.543 21.500 ( -16.440 -18.884 0.000) 25.038 22.440 ( -2.355 5.037 -0.000) 5.561 ======================= Grid point 213 (116/216) ======================= q-point: ( 0.36 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -0.300 1.115 6.222) 6.328 1.724 ( 2.512 19.020 4.729) 19.759 2.332 ( -19.894 19.465 3.227) 28.019 2.891 ( -12.720 -7.599 -0.010) 14.817 4.572 ( -7.734 40.914 -4.034) 41.834 4.711 ( -9.797 19.492 -11.316) 24.576 5.286 ( -0.349 1.285 7.129) 7.252 5.783 ( -0.213 17.930 5.910) 18.880 6.050 ( -2.851 -19.606 -3.317) 20.088 6.232 ( -3.785 -2.828 -5.293) 7.095 6.471 ( -0.914 -0.996 10.452) 10.539 6.908 ( 1.824 -1.448 2.690) 3.558 7.151 ( -7.988 8.711 -2.967) 12.186 7.291 ( 1.658 9.753 3.116) 10.372 7.381 ( -7.200 -18.814 0.756) 20.159 7.853 ( -0.761 -13.709 -0.941) 13.762 8.379 ( -4.434 -7.937 2.614) 9.460 9.280 ( 2.539 2.834 -10.090) 10.784 9.531 ( 8.236 -4.873 3.358) 10.141 9.678 ( 1.668 7.728 5.832) 9.824 9.693 ( -0.303 -5.472 3.406) 6.453 10.223 ( 2.238 -8.341 3.106) 9.177 10.895 ( -3.520 -2.593 -2.497) 5.035 11.146 ( -0.442 1.525 -4.351) 4.631 11.185 ( -6.673 -2.797 -3.128) 7.883 12.415 ( 8.781 -1.649 -12.994) 15.769 13.590 ( 28.370 -2.601 10.955) 30.523 14.795 ( 63.054 10.093 -9.014) 64.490 15.410 ( 5.834 -2.548 7.135) 9.562 15.612 ( 17.015 4.577 6.396) 18.744 17.680 ( 0.902 11.526 -0.087) 11.562 17.720 ( 6.860 -4.079 1.364) 8.097 19.038 ( -29.230 15.991 0.160) 33.318 20.787 ( -51.698 -19.450 -8.827) 55.937 21.309 ( 3.813 -12.237 1.750) 12.936 22.498 ( -3.874 5.938 -2.178) 7.417 ======================= Grid point 214 (117/216) ======================= q-point: ( 0.45 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 1.673 4.190 14.548) 15.231 2.024 ( 3.643 16.579 3.209) 17.275 2.622 ( -17.461 14.507 2.441) 22.832 2.788 ( -16.541 -5.486 0.534) 17.435 4.507 ( -9.030 7.464 -19.766) 22.977 5.110 ( 7.857 -30.905 -6.241) 32.493 5.252 ( -4.609 39.344 -0.704) 39.620 5.865 ( -3.232 -2.298 8.027) 8.953 6.051 ( -2.008 10.954 -3.998) 11.832 6.248 ( -3.271 9.485 0.755) 10.061 6.590 ( -5.116 -2.590 10.136) 11.646 6.956 ( 2.553 0.916 4.128) 4.939 6.973 ( -2.771 -19.676 -0.365) 19.874 7.385 ( -6.374 11.582 1.958) 13.365 7.567 ( -0.198 15.638 3.999) 16.143 7.667 ( -3.028 -8.990 -1.363) 9.583 8.336 ( -6.056 -6.663 5.108) 10.352 9.065 ( 3.842 -8.110 -11.786) 14.814 9.543 ( 2.137 -3.184 3.160) 4.969 9.718 ( 4.081 0.358 5.885) 7.171 9.919 ( -0.914 10.956 9.184) 14.326 10.168 ( 1.198 -8.187 5.021) 9.678 10.788 ( -2.510 -7.804 -2.226) 8.495 11.085 ( -5.568 2.250 -6.789) 9.064 11.101 ( -2.875 0.896 -8.255) 8.788 12.164 ( 6.854 -4.497 -16.301) 18.246 13.679 ( 22.923 -9.384 12.352) 27.679 14.788 ( 50.382 8.540 -8.684) 51.833 15.507 ( 17.145 -1.762 9.613) 19.735 15.752 ( 23.467 2.660 6.464) 24.486 17.662 ( 10.151 -6.386 1.810) 12.128 17.826 ( -0.900 8.097 0.600) 8.169 19.253 ( -30.458 16.197 -0.695) 34.504 20.398 ( -55.650 -15.330 -12.704) 59.104 21.205 ( 8.284 -9.582 3.783) 13.219 22.538 ( -4.564 6.510 -3.938) 8.872 ======================= Grid point 215 (118/216) ======================= q-point: ( 0.55 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 2.655 9.118 12.178) 15.443 2.250 ( 3.314 10.851 4.675) 12.271 2.591 ( -21.680 -7.833 -3.002) 23.246 2.943 ( -15.732 14.144 3.673) 21.472 4.310 ( -3.888 -8.775 -13.101) 16.241 4.478 ( -2.553 -29.277 -15.319) 33.141 5.631 ( 4.609 19.742 -5.906) 21.116 5.967 ( 5.443 0.370 4.086) 6.817 6.033 ( -5.470 5.022 -7.721) 10.713 6.445 ( 1.415 10.471 1.218) 10.636 6.589 ( -10.324 -10.996 5.494) 16.052 6.863 ( -6.263 -0.631 6.124) 8.782 7.066 ( 5.380 4.774 4.538) 8.505 7.466 ( 0.879 -9.290 1.614) 9.470 7.599 ( -10.305 13.143 -0.988) 16.730 7.895 ( -4.365 18.634 3.977) 19.547 8.343 ( -6.165 -4.908 6.899) 10.474 8.799 ( 1.397 -8.608 -8.961) 12.504 9.531 ( 0.486 -5.473 3.596) 6.567 9.822 ( 6.253 2.201 5.106) 8.367 10.142 ( 1.618 -5.025 5.957) 7.959 10.206 ( -3.658 9.529 9.026) 13.625 10.668 ( -4.587 -7.815 1.917) 9.262 10.967 ( -4.028 2.299 -12.570) 13.399 11.044 ( -1.165 4.550 -6.019) 7.635 11.873 ( 3.852 -6.351 -14.371) 16.177 13.665 ( 17.692 -16.780 10.283) 26.463 14.790 ( 47.228 8.567 -7.460) 48.575 15.601 ( 24.142 -3.843 8.699) 25.948 15.855 ( 26.591 0.721 5.135) 27.092 17.588 ( 13.027 -8.059 0.932) 15.347 17.911 ( -1.013 3.804 -0.007) 3.937 19.400 ( -35.909 10.475 -6.815) 38.022 20.093 ( -55.077 -5.975 -7.319) 55.881 21.161 ( 8.719 -6.793 5.812) 12.487 22.563 ( -4.232 6.608 -5.023) 9.316 ======================= Grid point 216 (119/216) ======================= q-point: (-0.36 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -1.492 2.418 -2.973) 4.112 2.374 ( -20.982 -1.156 -5.542) 21.732 2.589 ( -0.715 7.798 9.483) 12.298 3.154 ( -14.164 11.462 1.919) 18.322 3.679 ( 2.555 -47.436 -6.556) 47.955 4.216 ( -12.571 7.263 -17.428) 22.683 5.609 ( 4.726 -1.636 -10.313) 11.461 5.819 ( 3.139 -12.696 -5.056) 14.022 6.165 ( 1.530 11.526 -0.872) 11.660 6.380 ( 6.442 -4.854 -1.553) 8.214 6.729 ( -7.563 9.807 3.337) 12.826 6.961 ( -8.343 1.600 4.688) 9.703 7.162 ( 4.649 3.097 1.074) 5.689 7.407 ( -3.870 -2.658 2.167) 5.170 7.787 ( -10.538 14.479 1.090) 17.940 8.133 ( -5.531 12.347 -0.563) 13.541 8.388 ( -4.420 -3.441 6.946) 8.923 8.647 ( -2.032 -2.285 -0.725) 3.143 9.492 ( 1.538 -8.393 3.652) 9.282 9.883 ( 4.609 -0.164 1.005) 4.721 10.129 ( -0.826 -8.571 4.410) 9.675 10.416 ( -1.502 8.388 2.941) 9.015 10.668 ( -3.905 -3.105 5.486) 7.415 10.871 ( -3.171 8.526 -6.634) 11.259 11.062 ( -0.627 8.553 -3.240) 9.167 11.628 ( 0.928 -5.565 -8.475) 10.181 13.512 ( 12.963 -25.701 8.011) 29.879 14.799 ( 52.059 8.655 -8.244) 53.414 15.634 ( 22.973 -5.684 5.108) 24.211 15.909 ( 28.486 -2.368 4.195) 28.890 17.466 ( 15.286 -9.136 -2.419) 17.972 17.922 ( -0.128 -0.285 -1.573) 1.604 19.289 ( -46.978 -0.975 -15.557) 49.496 20.100 ( -50.055 7.875 4.207) 50.845 21.195 ( 8.450 -3.310 8.905) 12.714 22.572 ( -3.144 5.994 -5.768) 8.893 ======================= Grid point 217 (120/216) ======================= q-point: (-0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -32.119 -6.000 -7.493) 33.522 2.283 ( -0.051 2.469 -9.909) 10.212 2.662 ( -4.388 -9.257 -11.985) 15.767 3.111 ( 3.551 -24.072 4.484) 24.742 3.301 ( -11.909 7.766 0.662) 14.233 4.089 ( -13.800 5.604 -13.250) 19.935 5.375 ( -2.262 -6.666 -14.717) 16.313 5.577 ( 4.431 -13.798 -2.285) 14.671 6.164 ( 14.437 -6.007 -1.095) 15.676 6.434 ( 4.474 9.739 0.972) 10.761 6.838 ( -4.393 6.147 -2.084) 7.838 7.002 ( -1.822 -1.188 0.351) 2.203 7.227 ( -2.543 3.455 1.331) 4.491 7.406 ( -13.323 1.235 -0.071) 13.380 8.013 ( -10.166 14.886 3.033) 18.280 8.239 ( -3.502 6.940 0.445) 7.786 8.455 ( -1.745 0.151 6.565) 6.795 8.680 ( -5.452 0.758 3.075) 6.305 9.406 ( 2.382 -12.785 3.905) 13.579 9.849 ( 1.856 -2.713 -2.212) 3.962 10.022 ( 1.847 -9.871 -1.128) 10.106 10.497 ( -1.018 6.864 -6.840) 9.743 10.725 ( 2.510 1.032 9.184) 9.576 11.033 ( -6.730 13.732 3.712) 15.736 11.171 ( -4.036 10.963 -1.452) 11.773 11.526 ( 0.568 0.770 -0.167) 0.971 13.204 ( 9.049 -36.177 6.576) 37.867 14.769 ( 61.695 6.747 -11.793) 63.173 15.602 ( 13.535 -4.649 0.763) 14.332 15.906 ( 29.358 -5.999 3.459) 30.164 17.278 ( 17.373 -8.391 -7.855) 20.831 17.872 ( 0.257 -2.489 -2.380) 3.453 19.040 ( -50.160 -2.645 -15.060) 52.439 20.332 ( -52.039 10.182 10.414) 54.039 21.315 ( 8.052 -0.418 11.618) 14.142 22.558 ( -1.872 4.523 -6.466) 8.110 ======================= Grid point 218 (121/216) ======================= q-point: (-0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -35.338 -3.018 -11.049) 37.148 2.145 ( 1.454 -0.712 -12.441) 12.546 2.170 ( -14.821 -20.541 -15.340) 29.613 2.986 ( 2.151 -2.197 -9.623) 10.102 3.384 ( -9.353 3.996 -0.574) 10.187 4.008 ( -15.413 3.069 -5.997) 16.821 5.053 ( -7.915 -6.407 -17.827) 20.531 5.437 ( 6.121 -7.734 3.224) 10.376 6.063 ( 18.054 -4.058 -3.251) 18.788 6.572 ( 7.400 4.684 4.174) 9.702 6.863 ( -2.870 4.050 -5.761) 7.605 6.953 ( -1.335 -2.097 -1.745) 3.038 7.204 ( -1.567 -0.826 -4.199) 4.557 7.537 ( -25.436 6.987 9.842) 28.154 8.233 ( -9.101 9.403 4.225) 13.751 8.366 ( -0.992 6.171 4.652) 7.791 8.577 ( -0.008 6.135 5.087) 7.969 8.697 ( -6.704 -2.525 1.018) 7.236 9.247 ( 1.068 -17.860 2.446) 18.058 9.780 ( 0.257 -1.744 -2.919) 3.410 9.899 ( 8.273 -4.127 -1.069) 9.307 10.457 ( 0.507 4.008 -8.571) 9.475 10.903 ( 4.924 1.462 11.710) 12.787 11.245 ( -6.421 7.776 3.415) 10.647 11.267 ( -7.314 7.385 -1.692) 10.530 11.688 ( -0.448 20.670 3.225) 20.925 12.738 ( 5.112 -45.379 4.869) 45.925 14.631 ( 67.840 2.713 -17.442) 70.099 15.551 ( 3.777 -1.163 -2.255) 4.550 15.860 ( 28.824 -6.654 2.867) 29.721 17.037 ( 18.998 -5.171 -13.334) 23.780 17.812 ( -0.032 -2.007 -1.342) 2.415 18.823 ( -48.174 -1.497 -12.176) 49.711 20.642 ( -57.657 7.073 17.782) 60.750 21.487 ( 7.835 0.738 12.029) 14.375 22.512 ( -1.150 2.363 -6.762) 7.254 ======================= Grid point 219 (122/216) ======================= q-point: (-0.09 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -9.251 0.000 -20.295) 22.304 1.873 ( -48.613 0.000 -8.308) 49.318 1.971 ( -1.313 0.000 -13.307) 13.371 2.725 ( 0.742 0.000 -23.873) 23.885 3.373 ( -9.109 0.000 -4.732) 10.265 4.026 ( -15.566 0.000 5.662) 16.564 4.758 ( -11.161 0.000 -17.093) 20.414 5.458 ( 5.983 -0.000 6.432) 8.784 5.969 ( 17.452 -0.000 -6.593) 18.656 6.668 ( 8.134 -0.000 4.647) 9.367 6.722 ( -2.393 0.000 -13.475) 13.686 6.980 ( -1.505 0.000 4.139) 4.404 7.162 ( -4.673 0.000 -0.824) 4.745 7.795 ( -27.488 0.000 17.683) 32.684 8.358 ( -9.889 0.000 4.208) 10.747 8.495 ( 2.246 -0.000 6.332) 6.719 8.658 ( -8.297 0.000 -0.727) 8.329 8.725 ( 1.084 -0.000 3.618) 3.777 9.087 ( -0.048 0.000 -0.474) 0.476 9.739 ( 0.021 0.000 -0.234) 0.235 9.889 ( 12.376 -0.000 1.836) 12.511 10.359 ( 2.049 -0.000 -9.307) 9.530 11.048 ( 5.026 -0.000 6.240) 8.012 11.290 ( -2.825 0.000 -0.393) 2.852 11.353 ( -6.931 0.000 3.005) 7.555 12.036 ( -0.975 0.000 0.273) 1.012 12.292 ( 1.765 -0.000 4.902) 5.211 14.370 ( 64.114 -0.000 -21.944) 67.766 15.500 ( 0.719 -0.000 -4.596) 4.652 15.846 ( 29.381 -0.000 2.663) 29.502 16.791 ( 17.651 -0.000 -16.343) 24.055 17.792 ( -0.455 0.000 0.390) 0.599 18.665 ( -44.584 0.000 -9.206) 45.525 21.006 ( -63.249 0.000 27.533) 68.982 21.645 ( 7.966 -0.000 9.453) 12.362 22.441 ( -2.061 0.000 -5.178) 5.573 ======================= Grid point 222 (123/216) ======================= q-point: ( 0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 0.143 25.810 -0.000) 25.810 1.424 ( -22.168 25.134 -0.000) 33.513 1.628 ( -4.218 0.733 0.000) 4.281 2.943 ( -8.591 59.894 -0.000) 60.507 2.949 ( -4.265 -4.338 0.000) 6.083 4.354 ( -7.081 13.279 -0.000) 15.049 5.105 ( -1.025 19.559 -0.000) 19.586 5.143 ( -6.480 -1.455 0.000) 6.642 6.213 ( 7.807 16.347 -0.000) 18.116 6.234 ( -0.403 -1.626 0.000) 1.675 6.841 ( -19.781 -6.990 0.000) 20.980 6.886 ( 2.484 -18.915 0.000) 19.077 6.927 ( -0.760 1.060 -0.000) 1.304 7.039 ( -2.714 0.402 0.000) 2.743 7.930 ( -4.015 -18.702 0.000) 19.128 8.194 ( -1.539 -12.013 0.000) 12.112 8.571 ( -0.314 -8.602 0.000) 8.608 9.088 ( 0.665 10.964 -0.000) 10.984 9.360 ( -0.070 10.886 -0.000) 10.886 9.890 ( -0.047 -9.194 0.000) 9.194 9.988 ( 12.123 -9.745 0.000) 15.554 10.410 ( -0.843 -7.027 0.000) 7.077 10.786 ( -6.983 3.104 -0.000) 7.642 11.144 ( 2.778 1.595 -0.000) 3.203 11.348 ( -1.043 -7.976 0.000) 8.044 12.566 ( 3.844 4.545 -0.000) 5.953 13.914 ( 25.912 0.587 -0.000) 25.918 15.202 ( 15.127 9.373 -0.000) 17.795 15.499 ( 1.277 -4.950 0.000) 5.112 15.946 ( 71.557 9.202 -0.000) 72.146 17.350 ( 17.370 19.369 -0.000) 26.017 17.826 ( 2.432 0.635 -0.000) 2.514 18.266 ( -23.993 12.510 -0.000) 27.058 20.625 ( -78.164 -28.313 0.000) 83.133 21.635 ( 2.950 -9.109 0.000) 9.575 22.368 ( -0.948 2.672 -0.000) 2.835 ======================= Grid point 223 (124/216) ======================= q-point: ( 0.27 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 1.600 23.064 6.701) 24.071 1.663 ( -2.083 -0.221 6.214) 6.557 1.779 ( -16.641 24.891 2.788) 30.071 2.876 ( -4.889 -7.740 0.547) 9.171 3.772 ( -6.480 56.852 5.774) 57.510 4.417 ( -6.776 11.722 -16.600) 21.421 5.148 ( -3.052 14.209 2.237) 14.704 5.529 ( -0.768 13.323 15.981) 20.820 6.200 ( 5.264 2.198 -2.513) 6.233 6.421 ( 3.581 -9.444 -0.079) 10.100 6.513 ( -0.657 -16.109 1.767) 16.219 6.805 ( -16.493 3.403 -1.058) 16.874 6.961 ( -0.782 2.033 2.273) 3.148 7.147 ( 0.642 10.926 1.367) 11.030 7.634 ( -3.639 -23.768 -1.587) 24.097 8.023 ( -0.744 -12.967 -0.840) 13.015 8.460 ( -1.286 -9.396 1.824) 9.658 9.201 ( 0.804 9.578 -4.908) 10.792 9.518 ( 0.016 9.764 2.629) 10.112 9.771 ( 0.272 -8.368 0.818) 8.413 9.857 ( 9.967 -10.243 2.193) 14.459 10.331 ( -1.981 -7.918 1.925) 8.386 10.814 ( -4.185 4.537 -2.813) 6.783 11.141 ( 1.145 0.924 -3.399) 3.703 11.211 ( -2.476 -9.808 -2.485) 10.417 12.502 ( 4.310 2.309 -14.303) 15.115 13.996 ( 21.284 -4.037 12.486) 25.004 15.209 ( 17.416 7.222 -16.146) 24.823 15.430 ( 1.055 3.515 3.640) 5.169 16.214 ( 62.883 1.688 19.522) 65.865 17.535 ( 3.645 11.062 -0.558) 11.661 17.838 ( 6.432 1.059 0.041) 6.518 18.441 ( -24.949 14.764 -1.013) 29.007 20.219 ( -63.586 -17.838 -13.760) 67.459 21.524 ( 4.486 -9.959 2.076) 11.119 22.398 ( -1.681 3.488 -1.496) 4.151 ======================= Grid point 224 (125/216) ======================= q-point: ( 0.36 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 1.350 8.775 9.611) 13.084 1.850 ( 1.751 12.933 10.101) 16.503 2.142 ( -14.440 22.475 3.655) 26.963 2.749 ( -7.163 -11.608 -0.454) 13.648 4.266 ( -5.985 10.795 -21.434) 24.734 4.575 ( -5.230 48.846 5.298) 49.410 5.437 ( 5.897 10.819 6.336) 13.855 5.843 ( -1.009 -0.405 -0.987) 1.469 5.952 ( -7.372 -20.165 4.278) 21.893 6.213 ( 8.031 3.332 -1.093) 8.763 6.566 ( -6.169 -5.173 6.903) 10.605 6.909 ( -2.740 11.819 -1.125) 12.185 7.055 ( -2.838 4.904 3.424) 6.620 7.295 ( -5.093 -21.951 -0.417) 22.538 7.352 ( 0.315 14.632 3.518) 15.052 7.830 ( -0.042 -13.363 -1.677) 13.468 8.385 ( -2.231 -8.650 4.767) 10.125 9.152 ( 1.161 0.250 -12.140) 12.198 9.627 ( 1.451 -1.858 2.255) 3.262 9.764 ( 0.191 2.223 6.574) 6.942 9.838 ( 6.674 -0.682 7.235) 9.867 10.249 ( -4.100 -7.411 1.400) 8.585 10.824 ( -0.037 2.531 -3.379) 4.222 11.030 ( -4.741 -8.824 -4.253) 10.882 11.077 ( -0.326 0.210 -7.212) 7.222 12.277 ( 4.017 -0.655 -18.643) 19.082 14.090 ( 16.098 -9.623 12.976) 22.806 15.087 ( 13.906 6.686 -12.814) 20.057 15.625 ( 8.317 7.047 11.751) 16.028 16.463 ( 63.843 -2.854 16.887) 66.100 17.661 ( -5.548 7.436 1.531) 9.403 17.852 ( 10.022 1.038 -0.250) 10.078 18.620 ( -27.359 15.939 -2.921) 31.798 19.785 ( -57.358 -12.982 -18.932) 61.781 21.428 ( 4.773 -9.880 3.041) 11.386 22.421 ( -2.037 4.289 -2.536) 5.383 ======================= Grid point 225 (126/216) ======================= q-point: ( 0.45 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 2.207 9.050 11.019) 14.429 2.149 ( 3.524 11.485 8.288) 14.595 2.425 ( -12.984 7.233 0.672) 14.877 2.597 ( -11.598 -2.220 0.202) 11.810 4.108 ( -6.446 9.660 -19.929) 23.066 5.089 ( 4.853 -39.823 -10.460) 41.459 5.225 ( -1.225 37.479 2.155) 37.561 5.862 ( -1.343 13.306 -2.479) 13.601 6.065 ( -1.564 -2.051 8.341) 8.731 6.284 ( 5.162 7.791 1.438) 9.456 6.581 ( -10.479 -4.495 4.162) 12.138 6.926 ( -2.406 -14.954 0.294) 15.150 7.071 ( 5.535 5.866 3.923) 8.969 7.288 ( -9.455 10.713 2.144) 14.449 7.622 ( -0.835 15.819 4.731) 16.532 7.631 ( -0.034 -11.735 -1.831) 11.877 8.365 ( -2.486 -6.876 7.170) 10.241 8.920 ( 0.692 -6.637 -12.769) 14.408 9.610 ( 0.312 -5.371 3.879) 6.633 9.894 ( 7.926 2.022 6.538) 10.472 10.028 ( -0.675 10.002 8.033) 12.846 10.191 ( -6.157 -5.254 2.992) 8.629 10.749 ( 1.497 -7.108 -2.461) 7.669 10.885 ( -5.224 -0.565 -8.480) 9.976 10.988 ( -0.904 1.710 -5.456) 5.788 11.994 ( 3.046 -3.839 -17.062) 17.752 14.091 ( 11.953 -14.505 10.166) 21.369 15.037 ( 12.208 8.453 -8.986) 17.356 15.896 ( 16.155 3.058 16.183) 23.070 16.598 ( 65.129 -6.028 11.220) 66.363 17.767 ( -4.565 2.749 2.551) 5.908 17.859 ( 9.601 1.699 -0.611) 9.769 18.747 ( -33.580 12.643 -8.850) 36.956 19.391 ( -55.286 -6.865 -15.862) 57.925 21.354 ( 4.624 -8.119 4.004) 10.165 22.444 ( -1.893 4.950 -3.024) 6.101 ======================= Grid point 226 (127/216) ======================= q-point: ( 0.55 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( -12.032 -13.332 -5.664) 18.830 2.259 ( 3.272 7.351 0.938) 8.101 2.463 ( -1.694 8.354 8.305) 11.901 2.789 ( -11.603 15.678 2.682) 19.688 3.973 ( -6.627 8.298 -16.867) 19.932 4.349 ( 2.040 -47.573 -9.025) 48.465 5.638 ( 6.140 17.538 -3.953) 18.998 5.843 ( -6.141 4.289 -7.489) 10.592 6.120 ( 9.663 -3.747 2.476) 10.656 6.455 ( -9.392 10.790 4.640) 15.039 6.537 ( -0.254 -5.114 0.622) 5.158 6.833 ( -6.274 -2.885 2.989) 7.525 7.206 ( 6.016 3.617 2.961) 7.619 7.430 ( -4.744 2.979 -1.698) 5.853 7.495 ( -4.787 1.266 1.754) 5.253 7.890 ( -2.522 14.893 2.313) 15.282 8.396 ( -2.100 -4.586 7.939) 9.405 8.689 ( -0.608 -5.585 -6.443) 8.549 9.600 ( 0.332 -5.980 5.265) 7.975 9.957 ( 6.189 -0.559 0.440) 6.230 10.188 ( -4.368 -4.792 4.037) 7.638 10.262 ( -1.615 10.532 4.233) 11.465 10.667 ( -2.308 -4.556 4.911) 7.085 10.761 ( -1.456 3.583 -10.179) 10.889 10.978 ( -0.483 3.954 -2.196) 4.549 11.729 ( 1.889 -5.648 -11.115) 12.610 13.987 ( 9.217 -20.822 8.576) 24.332 15.057 ( 12.593 11.187 -7.263) 18.344 16.110 ( 24.036 -4.705 14.553) 28.490 16.620 ( 62.674 -8.349 6.245) 63.535 17.755 ( 12.051 -2.563 -3.695) 12.863 17.899 ( -1.089 1.550 1.482) 2.405 18.625 ( -48.727 -1.288 -17.785) 51.887 19.270 ( -49.763 9.017 -4.265) 50.753 21.338 ( 4.397 -4.711 6.398) 9.081 22.466 ( -1.356 5.221 -3.544) 6.455 ======================= Grid point 227 (128/216) ======================= q-point: (-0.36 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -20.966 -15.972 -8.870) 27.810 2.283 ( 3.098 3.149 -7.086) 8.350 2.615 ( -1.303 6.473 -6.086) 8.980 3.016 ( -8.976 12.791 2.628) 15.845 3.636 ( 1.354 -44.442 -3.227) 44.580 3.860 ( -7.336 6.009 -13.111) 16.181 5.472 ( 0.291 -9.972 -14.093) 17.266 5.819 ( 4.335 -9.421 -1.436) 10.469 6.218 ( 3.361 14.386 3.508) 15.184 6.480 ( 8.177 -3.228 -0.062) 8.792 6.647 ( -6.411 11.019 -0.745) 12.770 6.874 ( -11.834 2.890 2.735) 12.485 7.177 ( -0.039 -4.709 -3.232) 5.711 7.383 ( 0.404 -4.250 -2.338) 4.867 7.681 ( -6.935 16.574 2.385) 18.124 8.070 ( -2.539 11.174 0.276) 11.462 8.454 ( -1.054 -2.198 6.876) 7.295 8.633 ( -1.984 -1.089 3.464) 4.138 9.584 ( 1.718 -8.902 5.901) 10.817 9.910 ( 2.072 -3.245 -2.610) 4.651 10.133 ( -2.732 -7.498 0.801) 8.021 10.366 ( -1.485 8.859 -8.422) 12.313 10.727 ( 2.104 3.511 5.287) 6.687 10.812 ( -3.958 7.288 5.244) 9.812 11.029 ( -1.108 6.408 -0.343) 6.512 11.569 ( 1.233 -4.123 -1.701) 4.628 13.776 ( 7.723 -29.908 9.272) 32.250 15.120 ( 14.993 13.482 -7.755) 21.603 16.127 ( 33.400 -11.599 2.457) 35.442 16.570 ( 51.021 -12.404 6.877) 52.956 17.618 ( 17.794 -3.473 -9.902) 20.658 17.903 ( -0.156 -1.834 -0.829) 2.019 18.358 ( -52.378 -4.458 -12.310) 53.990 19.412 ( -53.415 14.122 0.586) 55.253 21.410 ( 4.149 -1.068 9.387) 10.318 22.479 ( -0.663 4.798 -4.467) 6.589 ======================= Grid point 228 (129/216) ======================= q-point: (-0.27 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -29.228 -13.775 -10.714) 34.042 2.165 ( 1.785 0.684 -12.903) 13.044 2.353 ( -4.108 -15.925 -21.359) 26.957 3.145 ( 1.177 -14.974 -4.744) 15.751 3.202 ( -5.219 2.188 1.270) 5.800 3.783 ( -8.838 4.251 -6.997) 12.048 5.100 ( -3.447 -12.419 -17.097) 21.411 5.661 ( 5.587 -13.006 2.873) 14.443 6.356 ( 16.180 -0.391 -2.551) 16.384 6.548 ( 5.717 11.394 5.056) 13.714 6.720 ( -5.493 7.505 -4.718) 10.429 6.962 ( -6.574 0.869 1.002) 6.706 7.092 ( -16.576 1.549 -0.349) 16.651 7.240 ( -1.216 -4.840 -7.296) 8.839 7.951 ( -5.335 16.008 3.997) 17.341 8.234 ( -1.627 10.370 2.965) 10.907 8.533 ( 0.003 1.423 5.524) 5.704 8.676 ( -2.462 -3.336 4.873) 6.398 9.500 ( 1.575 -15.812 4.477) 16.509 9.821 ( 0.320 -4.284 -2.227) 4.839 10.047 ( 3.869 -4.022 -0.677) 5.622 10.346 ( -3.049 9.631 -9.852) 14.111 10.907 ( 1.728 7.710 8.043) 11.275 10.989 ( -3.531 6.902 5.739) 9.646 11.124 ( -2.810 7.351 0.039) 7.870 11.581 ( 1.168 1.320 5.802) 6.064 13.439 ( 6.985 -43.295 11.214) 45.266 15.178 ( 21.478 14.458 -11.786) 28.447 15.887 ( 32.188 -13.119 -11.276) 36.542 16.477 ( 35.164 -18.737 9.048) 40.858 17.411 ( 25.356 -1.597 -14.146) 29.079 17.846 ( -0.108 -2.982 -1.714) 3.441 18.185 ( -43.738 -3.319 -5.885) 44.256 19.639 ( -63.066 12.874 6.187) 64.663 21.556 ( 3.976 1.213 10.800) 11.573 22.465 ( -0.084 3.522 -5.561) 6.583 ======================= Grid point 229 (130/216) ======================= q-point: (-0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -39.322 -7.988 -11.456) 41.729 1.761 ( -6.442 -21.018 -23.100) 31.888 1.971 ( 0.302 -0.667 -15.552) 15.569 2.792 ( 1.963 -7.931 -21.818) 23.298 3.255 ( -4.601 3.604 -4.534) 7.397 3.816 ( -10.069 3.527 5.186) 11.862 4.704 ( -5.671 -9.761 -17.639) 20.942 5.582 ( 4.586 -8.050 6.153) 11.121 6.253 ( 19.620 -0.323 -11.310) 22.649 6.665 ( 4.027 5.221 -6.930) 9.566 6.793 ( 4.529 0.522 3.548) 5.777 6.934 ( -3.828 1.182 4.330) 5.899 7.109 ( -2.271 -1.118 -5.030) 5.631 7.268 ( -32.357 11.225 9.359) 35.505 8.180 ( -5.349 9.663 3.526) 11.594 8.416 ( -1.423 10.036 3.432) 10.701 8.646 ( 0.486 1.907 4.112) 4.559 8.665 ( -1.672 -2.500 3.034) 4.272 9.282 ( 0.160 -21.184 0.749) 21.197 9.759 ( 0.124 -3.033 0.898) 3.166 10.043 ( 10.054 1.667 2.065) 10.398 10.340 ( -1.635 5.730 -7.330) 9.447 11.097 ( 4.406 3.193 3.544) 6.493 11.149 ( -6.781 11.762 2.184) 13.752 11.219 ( -3.697 3.982 3.700) 6.574 11.762 ( 0.577 12.791 7.367) 14.772 12.918 ( 5.639 -58.071 10.426) 59.268 15.111 ( 38.902 9.500 -24.459) 46.923 15.570 ( 9.785 -8.113 -9.408) 15.814 16.339 ( 23.897 -16.718 6.689) 29.922 17.197 ( 39.865 0.585 -16.050) 42.979 17.799 ( -0.383 -1.715 -0.189) 1.767 18.086 ( -35.872 -2.135 -3.697) 36.125 19.924 ( -78.201 8.346 14.875) 80.039 21.720 ( 4.129 1.620 9.393) 10.388 22.419 ( 0.034 1.658 -5.824) 6.055 ======================= Grid point 230 (131/216) ======================= q-point: (-0.09 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -49.774 0.000 -9.553) 50.682 1.256 ( -8.058 0.000 -25.203) 26.460 1.713 ( -1.566 0.000 -22.019) 22.075 2.371 ( 1.494 0.000 -27.873) 27.913 3.189 ( -4.776 0.000 -7.018) 8.489 4.000 ( -10.020 0.000 16.042) 18.914 4.395 ( -7.346 0.000 -15.671) 17.307 5.621 ( 3.505 -0.000 7.075) 7.896 6.025 ( 12.308 -0.000 -20.636) 24.027 6.597 ( 10.958 -0.000 -6.370) 12.676 6.808 ( 4.939 -0.000 1.505) 5.163 7.004 ( 0.210 0.000 -2.078) 2.088 7.136 ( -4.873 0.000 10.246) 11.346 7.588 ( -40.474 0.000 19.762) 45.041 8.289 ( -5.798 0.000 2.664) 6.380 8.554 ( -4.878 0.000 -0.651) 4.921 8.621 ( 2.042 -0.000 6.223) 6.549 8.777 ( 1.040 -0.000 1.219) 1.602 9.069 ( -0.492 0.000 -1.358) 1.444 9.779 ( 0.475 -0.000 5.266) 5.288 10.112 ( 11.848 -0.000 4.076) 12.530 10.258 ( 1.374 -0.000 -8.738) 8.845 11.063 ( 1.382 -0.000 -9.635) 9.733 11.319 ( -4.473 0.000 4.968) 6.685 11.328 ( 0.044 -0.000 7.806) 7.806 12.091 ( 1.924 -0.000 6.356) 6.641 12.379 ( 1.160 -0.000 4.458) 4.606 14.757 ( 40.956 -0.000 -31.258) 51.521 15.436 ( 0.460 0.000 -5.513) 5.533 16.283 ( 19.890 -0.000 3.541) 20.202 16.960 ( 52.995 -0.000 -19.818) 56.579 17.796 ( -0.419 0.000 1.079) 1.158 18.026 ( -31.559 0.000 -2.593) 31.665 20.286 (-100.991 0.000 30.021) 105.359 21.834 ( 4.805 -0.000 4.634) 6.675 22.361 ( -0.822 0.000 -3.373) 3.471 ======================= Grid point 232 (132/216) ======================= q-point: ( 0.09 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 0.000 26.782 -0.000) 26.782 0.847 ( 0.000 31.413 -0.000) 31.413 1.478 ( 0.000 22.653 -0.000) 22.653 2.148 ( 0.000 43.616 -0.000) 43.616 2.961 ( -0.000 -1.994 0.000) 1.994 4.140 ( 0.000 10.704 -0.000) 10.704 4.890 ( 0.000 12.272 -0.000) 12.272 5.096 ( -0.000 -0.081 0.000) 0.081 6.055 ( 0.000 15.053 -0.000) 15.053 6.253 ( -0.000 -2.049 0.000) 2.049 6.745 ( -0.000 -4.521 0.000) 4.521 6.907 ( 0.000 1.006 -0.000) 1.006 6.933 ( 0.000 5.011 -0.000) 5.011 7.210 ( -0.000 -18.917 0.000) 18.917 8.107 ( -0.000 -12.931 0.000) 12.931 8.327 ( -0.000 -10.170 0.000) 10.170 8.672 ( -0.000 -6.490 0.000) 6.490 8.952 ( 0.000 10.027 -0.000) 10.027 9.213 ( 0.000 10.746 -0.000) 10.746 10.006 ( -0.000 -7.861 0.000) 7.861 10.209 ( -0.000 -7.584 0.000) 7.584 10.479 ( -0.000 -6.238 0.000) 6.238 10.689 ( 0.000 2.931 -0.000) 2.931 11.158 ( 0.000 0.267 -0.000) 0.267 11.435 ( -0.000 -5.748 0.000) 5.748 12.523 ( 0.000 5.325 -0.000) 5.325 14.108 ( 0.000 0.486 -0.000) 0.486 15.195 ( 0.000 4.709 -0.000) 4.709 15.571 ( -0.000 -3.855 0.000) 3.855 16.475 ( 0.000 4.300 -0.000) 4.300 17.665 ( -0.000 -2.580 0.000) 2.580 17.818 ( 0.000 2.776 -0.000) 2.776 17.939 ( 0.000 8.141 -0.000) 8.141 19.920 ( -0.000 -3.150 0.000) 3.150 21.763 ( -0.000 -6.338 0.000) 6.338 22.336 ( 0.000 1.455 -0.000) 1.455 ======================= Grid point 233 (133/216) ======================= q-point: ( 0.18 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 0.000 22.775 13.244) 26.346 1.266 ( 0.000 29.865 1.549) 29.905 1.634 ( 0.000 2.458 5.310) 5.851 2.931 ( -0.000 -4.898 1.472) 5.114 2.950 ( 0.000 58.797 9.412) 59.545 4.226 ( -0.000 9.256 -11.202) 14.531 4.895 ( -0.000 18.016 -8.261) 19.819 5.414 ( 0.000 4.727 24.625) 25.075 6.206 ( -0.000 8.204 -3.276) 8.834 6.355 ( 0.000 8.658 8.444) 12.094 6.673 ( -0.000 -6.152 -0.127) 6.153 6.864 ( -0.000 -26.319 -5.914) 26.975 6.936 ( 0.000 1.621 1.829) 2.444 7.025 ( 0.000 7.999 1.003) 8.062 7.888 ( -0.000 -18.609 -1.774) 18.693 8.178 ( -0.000 -11.625 -0.728) 11.648 8.572 ( -0.000 -8.219 0.362) 8.227 9.072 ( 0.000 10.369 -2.960) 10.783 9.382 ( 0.000 10.562 3.310) 11.068 9.879 ( -0.000 -7.751 -1.333) 7.865 10.087 ( -0.000 -10.114 0.135) 10.115 10.400 ( -0.000 -6.788 -0.209) 6.791 10.721 ( 0.000 3.732 -0.802) 3.817 11.146 ( -0.000 -0.094 -2.553) 2.555 11.322 ( -0.000 -8.452 -2.603) 8.844 12.481 ( -0.000 5.026 -14.839) 15.667 14.211 ( 0.000 -3.097 14.048) 14.385 15.217 ( -0.000 10.170 -14.513) 17.722 15.407 ( -0.000 0.882 -3.595) 3.702 16.712 ( 0.000 4.605 19.722) 20.252 17.623 ( -0.000 -3.258 -0.181) 3.263 17.863 ( 0.000 3.487 0.177) 3.492 18.058 ( 0.000 11.466 -1.684) 11.589 19.714 ( -0.000 -1.979 -20.375) 20.471 21.680 ( -0.000 -8.556 2.102) 8.811 22.352 ( -0.000 2.043 -1.097) 2.319 ======================= Grid point 234 (134/216) ======================= q-point: ( 0.27 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 0.000 16.919 13.826) 21.850 1.673 ( 0.000 27.468 2.292) 27.563 1.779 ( 0.000 2.853 11.934) 12.270 2.852 ( -0.000 -9.942 0.736) 9.969 3.847 ( 0.000 53.970 10.308) 54.946 4.097 ( -0.000 7.900 -20.041) 21.542 5.179 ( 0.000 24.130 4.524) 24.550 5.794 ( 0.000 4.232 20.539) 20.970 6.224 ( -0.000 -2.910 -6.991) 7.572 6.364 ( -0.000 -24.774 -2.633) 24.914 6.580 ( -0.000 -6.975 -0.481) 6.992 6.647 ( 0.000 15.263 3.797) 15.728 7.004 ( 0.000 2.351 4.300) 4.900 7.180 ( 0.000 11.664 2.813) 11.998 7.575 ( -0.000 -22.895 -2.891) 23.077 8.000 ( -0.000 -12.636 -1.645) 12.743 8.484 ( -0.000 -7.994 2.777) 8.462 9.112 ( -0.000 6.111 -8.509) 10.476 9.570 ( 0.000 8.465 4.875) 9.769 9.793 ( 0.000 -5.336 2.376) 5.841 9.985 ( 0.000 -7.737 3.988) 8.704 10.288 ( -0.000 -5.761 -3.515) 6.748 10.767 ( 0.000 3.216 0.297) 3.230 11.078 ( -0.000 -0.589 -6.440) 6.467 11.146 ( -0.000 -10.552 -4.469) 11.459 12.287 ( -0.000 3.194 -19.759) 20.015 14.329 ( 0.000 -7.842 12.110) 14.427 15.092 ( -0.000 8.106 -15.929) 17.873 15.589 ( 0.000 7.865 15.909) 17.747 17.066 ( 0.000 3.588 22.398) 22.683 17.579 ( -0.000 -3.474 0.427) 3.500 17.910 ( 0.000 3.673 -0.449) 3.701 18.187 ( 0.000 13.726 -4.285) 14.379 19.353 ( -0.000 -2.547 -26.561) 26.683 21.592 ( -0.000 -9.635 2.486) 9.951 22.363 ( -0.000 2.707 -1.797) 3.249 ======================= Grid point 235 (135/216) ======================= q-point: ( 0.36 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 0.000 8.973 11.625) 14.685 2.051 ( 0.000 23.833 2.818) 23.999 2.054 ( 0.000 8.448 14.324) 16.630 2.680 ( -0.000 -14.576 -1.966) 14.708 3.937 ( -0.000 8.592 -18.367) 20.277 4.631 ( 0.000 46.239 6.497) 46.694 5.569 ( 0.000 23.259 3.990) 23.599 5.683 ( -0.000 -37.664 -12.562) 39.703 6.059 ( 0.000 -0.432 12.960) 12.967 6.341 ( 0.000 2.465 2.076) 3.223 6.494 ( -0.000 -4.230 0.061) 4.230 6.899 ( 0.000 15.130 0.958) 15.161 7.117 ( 0.000 3.245 6.545) 7.305 7.237 ( -0.000 -21.141 -1.716) 21.211 7.409 ( 0.000 14.538 4.903) 15.343 7.802 ( -0.000 -12.937 -2.266) 13.133 8.441 ( 0.000 -6.727 5.163) 8.480 8.983 ( -0.000 -2.091 -12.877) 13.046 9.669 ( 0.000 -2.313 2.925) 3.729 9.872 ( 0.000 6.103 8.567) 10.518 10.017 ( 0.000 -0.770 8.125) 8.161 10.167 ( -0.000 -3.844 -4.159) 5.663 10.793 ( -0.000 1.717 -2.559) 3.082 10.932 ( -0.000 -11.270 -4.823) 12.258 10.972 ( -0.000 0.022 -6.736) 6.736 12.042 ( -0.000 0.227 -18.386) 18.388 14.344 ( 0.000 -10.141 7.829) 12.812 15.013 ( -0.000 7.598 -10.664) 13.094 15.974 ( 0.000 5.181 25.056) 25.586 17.402 ( 0.000 0.078 21.731) 21.731 17.545 ( -0.000 -3.419 1.234) 3.635 17.946 ( 0.000 3.539 -1.280) 3.763 18.270 ( -0.000 13.148 -11.667) 17.578 18.946 ( -0.000 -1.841 -25.827) 25.893 21.499 ( -0.000 -8.828 2.323) 9.129 22.377 ( -0.000 3.341 -1.905) 3.846 ======================= Grid point 236 (136/216) ======================= q-point: ( 0.45 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 0.000 6.688 6.181) 9.107 2.297 ( -0.000 -2.836 -1.887) 3.407 2.331 ( 0.000 8.122 9.481) 12.484 2.500 ( 0.000 4.982 0.148) 4.984 3.818 ( -0.000 7.673 -14.613) 16.505 4.973 ( -0.000 -42.387 -10.260) 43.611 5.256 ( 0.000 36.217 2.986) 36.340 5.797 ( -0.000 6.717 -5.184) 8.485 6.185 ( 0.000 3.145 8.615) 9.171 6.367 ( -0.000 -3.433 0.376) 3.454 6.496 ( 0.000 2.429 0.759) 2.545 6.914 ( -0.000 -12.618 0.778) 12.642 7.168 ( 0.000 13.118 -0.015) 13.118 7.249 ( 0.000 2.385 5.419) 5.921 7.603 ( -0.000 -10.352 -1.810) 10.509 7.680 ( 0.000 13.401 4.571) 14.159 8.445 ( 0.000 -4.766 6.175) 7.801 8.759 ( -0.000 -5.132 -10.064) 11.297 9.667 ( 0.000 -4.258 4.290) 6.044 10.058 ( -0.000 -1.668 0.592) 1.770 10.117 ( 0.000 8.145 3.712) 8.951 10.140 ( 0.000 1.233 6.755) 6.866 10.718 ( -0.000 0.619 -8.367) 8.390 10.747 ( -0.000 -8.238 -1.287) 8.338 10.935 ( -0.000 2.082 -1.461) 2.543 11.803 ( -0.000 -2.779 -12.853) 13.150 14.285 ( 0.000 -13.881 6.722) 15.423 14.997 ( -0.000 9.709 -8.186) 12.700 16.361 ( 0.000 -3.406 27.153) 27.366 17.524 ( 0.000 -3.118 2.042) 3.727 17.636 ( 0.000 -7.887 17.386) 19.092 17.967 ( -0.000 3.138 -2.104) 3.779 18.122 ( -0.000 5.058 -26.800) 27.274 18.700 ( -0.000 8.668 -14.259) 16.687 21.439 ( 0.000 -5.857 3.666) 6.910 22.397 ( -0.000 3.885 -2.214) 4.472 ======================= Grid point 237 (137/216) ======================= q-point: (-0.45 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( -0.000 -20.453 -7.772) 21.880 2.273 ( -0.000 2.111 -3.380) 3.985 2.504 ( 0.000 7.969 -2.018) 8.220 2.745 ( 0.000 16.738 3.998) 17.209 3.729 ( -0.000 5.499 -10.858) 12.171 4.259 ( -0.000 -46.545 -5.895) 46.916 5.627 ( -0.000 -10.724 -11.091) 15.428 5.719 ( 0.000 25.230 3.087) 25.419 6.258 ( -0.000 -9.936 0.531) 9.950 6.401 ( 0.000 11.991 4.719) 12.886 6.532 ( -0.000 3.781 -2.294) 4.423 6.809 ( -0.000 -5.971 0.984) 6.051 7.259 ( -0.000 -4.884 -2.433) 5.456 7.390 ( 0.000 17.738 2.048) 17.856 7.470 ( -0.000 -7.118 -1.010) 7.189 7.894 ( 0.000 12.463 1.039) 12.507 8.478 ( 0.000 -2.637 5.534) 6.130 8.640 ( 0.000 -1.753 0.852) 1.949 9.679 ( 0.000 -4.316 5.160) 6.727 9.994 ( -0.000 -4.587 -0.934) 4.681 10.171 ( -0.000 -3.679 -0.026) 3.679 10.248 ( -0.000 7.189 -5.665) 9.153 10.674 ( 0.000 5.200 -0.803) 5.261 10.740 ( 0.000 0.676 7.712) 7.742 10.958 ( 0.000 3.516 -0.700) 3.585 11.639 ( -0.000 -4.042 -3.476) 5.331 14.164 ( 0.000 -19.911 8.074) 21.485 15.039 ( -0.000 12.276 -7.217) 14.240 16.571 ( 0.000 -13.927 16.949) 21.936 17.519 ( 0.000 -2.605 2.740) 3.780 17.521 ( -0.000 -18.466 -9.004) 20.544 17.918 ( -0.000 1.995 -4.663) 5.071 17.970 ( -0.000 2.534 -2.807) 3.782 18.710 ( -0.000 16.075 -9.956) 18.908 21.458 ( 0.000 -1.763 6.496) 6.731 22.414 ( -0.000 4.120 -3.088) 5.149 ======================= Grid point 238 (138/216) ======================= q-point: (-0.36 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -0.000 -21.832 -9.709) 23.894 2.176 ( -0.000 -0.522 -11.327) 11.339 2.423 ( -0.000 -0.675 -17.989) 18.002 2.997 ( 0.000 13.074 3.099) 13.436 3.606 ( -0.000 -41.305 -4.066) 41.504 3.668 ( -0.000 3.348 -5.764) 6.666 5.269 ( -0.000 -15.771 -14.175) 21.205 5.877 ( 0.000 -8.801 3.579) 9.501 6.329 ( 0.000 14.635 7.364) 16.384 6.507 ( -0.000 6.087 -9.797) 11.534 6.604 ( 0.000 8.327 3.320) 8.964 6.759 ( -0.000 -1.069 -1.055) 1.502 7.117 ( -0.000 -7.610 -4.256) 8.719 7.316 ( -0.000 -6.912 -7.547) 10.234 7.681 ( 0.000 18.674 4.230) 19.147 8.072 ( 0.000 11.848 2.125) 12.036 8.527 ( 0.000 -0.311 4.325) 4.336 8.695 ( 0.000 -1.581 7.237) 7.408 9.668 ( -0.000 -7.303 2.871) 7.847 9.914 ( -0.000 -8.087 1.505) 8.226 10.109 ( -0.000 -2.830 -0.416) 2.860 10.186 ( -0.000 7.984 -13.193) 15.421 10.804 ( 0.000 7.029 5.182) 8.733 10.920 ( 0.000 4.552 11.120) 12.016 11.010 ( 0.000 6.563 -1.814) 6.809 11.610 ( 0.000 -3.059 5.928) 6.670 13.980 ( 0.000 -29.332 12.038) 31.706 15.108 ( -0.000 13.725 -8.223) 15.999 16.399 ( -0.000 -17.481 -11.287) 20.809 17.148 ( -0.000 -24.774 -0.245) 24.776 17.531 ( 0.000 -1.931 3.252) 3.782 17.895 ( -0.000 -3.589 0.937) 3.709 17.956 ( -0.000 1.801 -3.318) 3.776 18.831 ( 0.000 17.356 -4.967) 18.053 21.565 ( 0.000 1.545 8.619) 8.756 22.416 ( -0.000 3.679 -4.278) 5.643 ======================= Grid point 239 (139/216) ======================= q-point: (-0.27 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -0.000 -21.501 -11.216) 24.251 1.939 ( -0.000 -6.325 -22.558) 23.428 2.034 ( -0.000 -11.368 -17.409) 20.791 3.030 ( -0.000 -27.134 -15.337) 31.169 3.146 ( 0.000 7.686 -2.458) 8.070 3.693 ( 0.000 3.396 4.267) 5.454 4.845 ( -0.000 -16.506 -15.294) 22.502 5.775 ( 0.000 -13.896 6.374) 15.288 6.385 ( -0.000 3.941 -18.036) 18.462 6.670 ( 0.000 14.231 10.110) 17.456 6.729 ( 0.000 6.076 0.977) 6.154 6.791 ( 0.000 8.640 0.830) 8.680 6.964 ( -0.000 -7.187 -2.937) 7.764 7.133 ( -0.000 -4.019 -7.047) 8.113 7.973 ( 0.000 15.571 4.272) 16.146 8.261 ( 0.000 11.300 2.611) 11.598 8.594 ( 0.000 2.731 3.310) 4.291 8.741 ( 0.000 -6.146 6.217) 8.742 9.529 ( -0.000 -14.160 -2.407) 14.363 9.831 ( -0.000 -7.510 2.635) 7.959 10.114 ( 0.000 1.127 2.638) 2.869 10.173 ( -0.000 10.161 -6.342) 11.978 10.973 ( 0.000 7.206 5.561) 9.102 11.061 ( -0.000 7.771 -5.307) 9.410 11.133 ( 0.000 4.265 10.554) 11.384 11.708 ( 0.000 -0.559 11.260) 11.274 13.696 ( -0.000 -46.525 17.985) 49.880 15.151 ( -0.000 13.782 -13.384) 19.212 15.905 ( -0.000 -15.027 -23.970) 28.291 16.834 ( -0.000 -28.745 5.088) 29.192 17.557 ( 0.000 -1.168 3.533) 3.721 17.850 ( -0.000 -4.546 0.918) 4.638 17.927 ( -0.000 1.030 -3.594) 3.738 19.010 ( 0.000 12.993 0.710) 13.013 21.718 ( 0.000 3.055 8.191) 8.742 22.392 ( -0.000 2.441 -4.958) 5.526 ======================= Grid point 240 (140/216) ======================= q-point: (-0.18 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( -0.000 -17.996 -13.008) 22.205 1.366 ( -0.000 -20.108 -26.103) 32.950 1.729 ( -0.000 -4.473 -19.517) 20.023 2.458 ( -0.000 -12.513 -27.036) 29.791 3.140 ( -0.000 2.494 -6.639) 7.092 3.880 ( 0.000 5.066 13.644) 14.554 4.440 ( -0.000 -13.305 -13.471) 18.934 5.712 ( 0.000 -9.320 7.152) 11.748 6.111 ( -0.000 1.069 -25.404) 25.426 6.795 ( 0.000 2.973 -0.008) 2.973 6.870 ( -0.000 -3.493 -0.326) 3.508 6.949 ( 0.000 21.245 2.536) 21.396 7.019 ( -0.000 -1.323 -4.894) 5.070 7.041 ( 0.000 8.736 12.558) 15.298 8.187 ( 0.000 8.754 2.816) 9.196 8.431 ( 0.000 9.673 1.218) 9.750 8.693 ( 0.000 6.652 1.751) 6.879 8.715 ( 0.000 -8.334 4.968) 9.703 9.265 ( -0.000 -18.224 -3.096) 18.485 9.814 ( 0.000 -4.306 6.301) 7.632 10.190 ( 0.000 2.162 4.156) 4.685 10.223 ( -0.000 4.926 -3.327) 5.944 11.036 ( -0.000 5.172 -10.199) 11.435 11.168 ( 0.000 10.940 4.812) 11.952 11.312 ( 0.000 2.487 8.568) 8.922 11.905 ( 0.000 5.770 12.578) 13.838 13.180 ( -0.000 -74.913 20.743) 77.732 15.014 ( -0.000 7.070 -29.943) 30.767 15.488 ( -0.000 -6.689 -10.695) 12.615 16.547 ( -0.000 -21.008 2.783) 21.192 17.596 ( 0.000 -0.433 3.551) 3.577 17.813 ( -0.000 -2.907 1.088) 3.104 17.886 ( -0.000 0.341 -3.601) 3.617 19.165 ( 0.000 4.819 3.628) 6.032 21.850 ( 0.000 2.684 4.613) 5.337 22.351 ( -0.000 0.909 -3.639) 3.751 ======================= Grid point 241 (141/216) ======================= q-point: (-0.09 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.384 ( -0.000 -0.000 -14.976) 14.976 0.813 ( -0.000 -0.000 -28.592) 28.592 1.293 ( -0.000 -0.000 -37.277) 37.277 2.052 ( -0.000 -0.000 -18.391) 18.391 3.065 ( -0.000 -0.000 -5.659) 5.659 4.148 ( -0.000 -0.000 -11.627) 11.627 4.183 ( 0.000 0.000 21.380) 21.380 5.738 ( 0.000 0.000 5.974) 5.974 5.742 ( -0.000 -0.000 -27.967) 27.967 6.812 ( -0.000 -0.000 -0.225) 0.225 6.851 ( 0.000 0.000 0.540) 0.540 6.952 ( -0.000 -0.000 -3.594) 3.594 7.277 ( 0.000 0.000 12.156) 12.156 7.304 ( 0.000 0.000 10.537) 10.537 8.279 ( 0.000 0.000 1.708) 1.708 8.512 ( -0.000 -0.000 -0.433) 0.433 8.711 ( 0.000 0.000 4.497) 4.497 8.784 ( -0.000 -0.000 -0.814) 0.814 9.045 ( -0.000 -0.000 -1.156) 1.156 9.883 ( 0.000 0.000 8.582) 8.582 10.160 ( -0.000 -0.000 -6.664) 6.664 10.261 ( 0.000 0.000 3.455) 3.455 10.902 ( -0.000 -0.000 -13.730) 13.730 11.393 ( 0.000 0.000 7.584) 7.584 11.429 ( 0.000 0.000 5.897) 5.897 12.232 ( 0.000 0.000 10.267) 10.267 12.441 ( 0.000 0.000 3.198) 3.198 14.603 ( -0.000 -0.000 -30.793) 30.793 15.367 ( -0.000 -0.000 -4.682) 4.682 16.417 ( 0.000 0.000 0.664) 0.664 17.641 ( 0.000 0.000 3.223) 3.223 17.809 ( 0.000 0.000 1.168) 1.168 17.840 ( -0.000 -0.000 -3.255) 3.255 19.228 ( 0.000 0.000 2.929) 2.929 21.896 ( -0.000 -0.000 -0.738) 0.738 22.331 ( -0.000 -0.000 -0.017) 0.017 ======================= Grid point 266 (142/216) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 2.800 1.726 9.445) 10.001 2.238 ( 3.046 -4.694 14.999) 16.009 3.056 ( 20.545 7.943 5.905) 22.805 3.463 ( 14.702 -8.074 2.408) 16.945 4.127 ( 0.191 40.820 -1.907) 40.865 4.613 ( 25.150 5.159 -6.987) 26.608 5.245 ( -3.075 -6.409 -0.621) 7.135 5.593 ( -10.817 5.523 -0.628) 12.161 6.142 ( 8.516 -5.385 -0.955) 10.121 6.387 ( 1.435 14.839 1.012) 14.942 6.844 ( -1.285 -6.222 1.024) 6.435 7.026 ( -0.449 5.200 0.762) 5.274 7.242 ( -0.173 5.237 3.093) 6.085 7.557 ( 6.325 -5.198 6.117) 10.219 7.916 ( 8.273 -19.663 2.081) 21.434 8.076 ( 5.975 -14.148 0.910) 15.384 8.598 ( 0.779 0.918 -0.666) 1.376 8.879 ( -1.163 -4.237 -6.788) 8.086 9.461 ( -7.340 5.943 2.540) 9.780 9.707 ( -2.909 -2.083 1.895) 4.049 10.057 ( 4.476 6.377 14.178) 16.178 10.581 ( -0.513 -1.633 2.082) 2.695 10.832 ( 0.053 2.052 -2.275) 3.064 10.990 ( 5.207 -4.713 -6.833) 9.799 11.027 ( 0.896 -4.202 -5.633) 7.084 11.417 ( -11.663 -2.354 -10.021) 15.555 12.961 ( -28.608 6.982 5.075) 29.882 13.317 ( -30.067 5.219 3.630) 30.732 15.337 ( -8.817 1.170 -3.163) 9.440 15.383 ( -4.800 -1.564 0.982) 5.143 17.487 ( -0.983 19.698 4.544) 20.239 17.878 ( 0.423 -1.868 2.200) 2.917 19.897 ( 30.077 6.214 8.396) 31.839 21.054 ( -11.728 -8.213 -0.888) 14.345 21.784 ( 26.625 -7.936 -17.028) 32.586 22.298 ( -3.160 -2.792 -1.146) 4.370 ======================= Grid point 267 (143/216) ======================= q-point: ( 0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 1.811 3.196 3.953) 5.396 2.315 ( 0.367 -4.565 5.425) 7.100 3.221 ( 18.437 7.261 2.506) 19.973 3.380 ( 14.593 -7.204 0.696) 16.289 4.519 ( 18.983 9.881 0.501) 21.407 4.680 ( 5.136 26.653 -5.054) 27.610 5.041 ( -5.243 -22.618 -0.317) 23.220 5.625 ( -18.643 1.376 -0.600) 18.703 6.078 ( 14.549 -2.065 0.039) 14.695 6.592 ( 5.282 9.097 1.954) 10.699 6.813 ( -7.234 -1.623 1.004) 7.481 7.027 ( -0.108 -2.238 -1.777) 2.860 7.350 ( 7.988 6.960 1.194) 10.662 7.669 ( 0.764 -0.890 3.794) 3.971 7.728 ( 9.388 -2.569 1.606) 9.864 7.905 ( 5.752 -13.103 0.309) 14.313 8.612 ( 1.729 1.230 0.317) 2.146 8.744 ( -0.924 -3.015 -4.038) 5.124 9.568 ( -5.905 4.529 1.640) 7.620 9.685 ( -4.695 -2.862 0.239) 5.504 10.304 ( 7.110 3.070 9.589) 12.326 10.592 ( -1.273 -2.658 3.959) 4.935 10.750 ( 6.269 2.489 -11.057) 12.952 10.893 ( 2.682 -3.032 -0.550) 4.085 10.947 ( 0.845 -0.535 -0.992) 1.408 11.280 ( -14.381 -1.523 -4.610) 15.179 13.076 ( -26.257 2.744 1.818) 26.463 13.393 ( -34.153 1.351 1.294) 34.204 15.333 ( -9.324 2.319 -0.952) 9.655 15.362 ( -6.990 -2.435 0.102) 7.402 17.742 ( -0.216 12.532 1.312) 12.602 17.859 ( 0.106 -5.957 1.587) 6.166 20.064 ( 29.293 3.493 4.475) 29.838 20.944 ( -7.568 -4.057 -1.606) 8.736 21.526 ( 28.662 -3.832 -6.754) 29.695 22.276 ( -6.667 -0.275 -0.171) 6.675 ======================= Grid point 273 (144/216) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 16.580 -0.000 -0.000) 16.580 1.560 ( 24.168 -0.000 -0.000) 24.168 2.069 ( 11.651 -0.000 -0.000) 11.651 3.063 ( 32.640 -0.000 -0.000) 32.640 3.617 ( 19.130 -0.000 -0.000) 19.130 4.850 ( 24.956 -0.000 -0.000) 24.956 4.889 ( 9.022 -0.000 -0.000) 9.022 5.565 ( -6.093 0.000 0.000) 6.093 5.773 ( 12.737 -0.000 -0.000) 12.737 6.318 ( -1.736 0.000 0.000) 1.736 6.645 ( -5.481 0.000 0.000) 5.481 7.056 ( 5.167 -0.000 -0.000) 5.167 7.580 ( 1.535 -0.000 -0.000) 1.535 8.263 ( -24.416 0.000 0.000) 24.416 8.614 ( 2.953 -0.000 -0.000) 2.953 8.631 ( -3.779 0.000 0.000) 3.779 8.908 ( 9.060 -0.000 -0.000) 9.060 9.148 ( 3.552 -0.000 -0.000) 3.552 9.454 ( -18.402 0.000 0.000) 18.402 9.574 ( 12.664 -0.000 -0.000) 12.664 9.902 ( -2.907 0.000 0.000) 2.907 10.014 ( -2.963 0.000 0.000) 2.963 10.421 ( -6.427 0.000 0.000) 6.427 11.162 ( 8.002 -0.000 -0.000) 8.002 11.473 ( -1.224 0.000 0.000) 1.224 12.145 ( -23.931 0.000 0.000) 23.931 12.303 ( -4.241 0.000 0.000) 4.241 12.352 ( -4.088 0.000 0.000) 4.088 15.225 ( -2.197 0.000 0.000) 2.197 15.695 ( 4.364 -0.000 -0.000) 4.364 16.110 ( -5.522 0.000 0.000) 5.522 17.908 ( 2.711 -0.000 -0.000) 2.711 19.404 ( 31.490 -0.000 -0.000) 31.490 21.206 ( -15.897 0.000 0.000) 15.897 22.171 ( -9.617 0.000 0.000) 9.617 23.706 ( -1.024 0.000 0.000) 1.024 ======================= Grid point 277 (145/216) ======================= q-point: ( 0.18 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 0.948 2.449 2.833) 3.863 2.440 ( 1.454 -10.803 7.195) 13.061 3.321 ( 8.318 5.413 2.130) 10.151 3.637 ( 5.950 -7.302 0.752) 9.450 4.081 ( -1.380 40.481 -1.634) 40.537 4.902 ( 22.738 4.923 -1.669) 23.325 5.171 ( -8.918 -7.675 0.406) 11.773 5.400 ( -9.890 -4.748 -2.235) 11.197 6.280 ( 10.014 6.696 0.100) 12.046 6.406 ( -2.754 11.010 1.433) 11.439 6.783 ( -3.726 -4.250 -1.159) 5.770 7.044 ( 0.549 0.279 0.452) 0.764 7.260 ( -0.452 10.090 0.779) 10.130 7.689 ( 2.476 -2.185 3.106) 4.533 8.034 ( 3.246 -20.214 2.279) 20.599 8.161 ( 3.615 -14.755 -0.166) 15.192 8.614 ( 2.494 1.668 0.574) 3.055 8.757 ( -4.115 -4.022 -4.281) 7.172 9.423 ( -1.746 8.451 0.784) 8.665 9.678 ( -2.569 -4.300 0.679) 5.055 10.355 ( 6.408 8.937 16.574) 19.890 10.578 ( 0.726 3.825 -1.446) 4.153 10.691 ( -5.341 -0.140 -13.316) 14.348 10.978 ( -0.177 -3.549 -2.339) 4.254 10.983 ( 0.567 -4.487 -0.200) 4.527 11.247 ( -2.133 -12.100 -0.934) 12.322 12.738 ( -10.003 10.976 1.467) 14.923 13.060 ( -10.839 -0.248 1.396) 10.931 15.207 ( -3.234 3.296 -2.078) 5.064 15.354 ( -1.367 -3.924 0.420) 4.176 17.529 ( -0.218 18.945 2.099) 19.062 17.903 ( 0.133 -0.694 0.728) 1.014 20.387 ( 22.179 2.634 7.850) 23.674 20.818 ( -16.109 -5.277 -4.128) 17.447 21.862 ( 9.806 2.624 -7.615) 12.690 22.254 ( -1.842 -11.255 0.195) 11.407 ======================= Grid point 278 (146/216) ======================= q-point: (-0.73 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 0.863 4.262 -3.209) 5.404 2.323 ( -0.895 -8.228 -4.157) 9.262 3.417 ( 6.683 7.218 -0.730) 9.864 3.526 ( 6.144 -8.579 -1.427) 10.649 4.587 ( -2.078 33.998 2.289) 34.138 4.889 ( 14.365 -9.695 -0.250) 17.332 5.063 ( 8.163 -11.275 5.353) 14.914 5.338 ( -21.434 -1.524 1.066) 21.514 6.306 ( 16.381 -0.943 0.730) 16.424 6.522 ( -14.280 2.872 -0.397) 14.571 6.820 ( 4.519 8.008 0.132) 9.196 6.985 ( -2.042 -5.885 -1.349) 6.373 7.426 ( 3.957 15.574 -2.724) 16.298 7.669 ( -0.601 -9.832 -4.000) 10.632 7.838 ( 3.393 -0.744 0.164) 3.478 7.962 ( 2.872 -14.447 -1.536) 14.809 8.652 ( 2.675 1.009 1.556) 3.255 8.691 ( -2.014 -0.292 -0.320) 2.060 9.529 ( -1.330 5.739 0.163) 5.893 9.615 ( -3.499 -4.525 -0.776) 5.772 10.464 ( 6.977 -5.168 -3.799) 9.477 10.511 ( -5.161 1.503 -11.504) 12.697 10.774 ( 5.253 14.496 8.604) 17.657 10.930 ( 2.070 -2.588 1.039) 3.473 10.962 ( 1.302 -0.280 1.123) 1.742 11.124 ( -11.378 -10.813 7.369) 17.340 12.867 ( -5.166 6.653 -0.873) 8.469 13.028 ( -16.292 -3.379 -1.357) 16.694 15.252 ( -2.532 3.624 1.236) 4.591 15.304 ( -2.170 -3.856 0.553) 4.459 17.738 ( 0.070 12.621 -1.901) 12.763 17.862 ( -0.128 -5.987 -1.083) 6.085 20.465 ( 22.203 -2.140 1.028) 22.329 20.721 ( -17.356 0.508 -3.842) 17.783 21.850 ( 22.180 5.371 0.547) 22.827 22.178 ( -12.205 -7.701 5.354) 15.392 ======================= Grid point 279 (147/216) ======================= q-point: (-0.64 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 2.010 -2.823 -9.569) 10.177 2.196 ( -0.116 4.204 -11.596) 12.335 3.369 ( 8.746 -7.945 -3.926) 12.451 3.502 ( 5.189 8.358 -2.738) 10.212 4.619 ( 0.805 -32.488 4.188) 32.766 5.007 ( -3.769 20.656 3.590) 21.302 5.037 ( 22.988 -6.561 6.966) 24.900 5.397 ( -18.003 3.407 4.822) 18.946 6.295 ( 15.838 -0.995 -0.004) 15.870 6.516 ( -11.488 -3.165 -0.768) 11.941 6.799 ( 6.010 -5.446 -1.170) 8.194 6.997 ( -5.421 5.730 -0.441) 7.900 7.370 ( 2.753 -12.377 -6.846) 14.410 7.564 ( -1.106 6.935 -10.214) 12.396 7.810 ( 5.423 3.314 -1.762) 6.595 7.943 ( 1.065 13.337 -2.427) 13.598 8.648 ( 3.626 -2.377 0.941) 4.437 8.761 ( -5.470 4.481 4.041) 8.144 9.503 ( 1.137 -5.907 -1.680) 6.246 9.613 ( -4.431 3.777 -0.492) 5.843 10.234 ( 6.458 -8.404 -13.544) 17.198 10.440 ( -5.060 9.682 -10.687) 15.283 10.918 ( 1.403 -5.576 4.389) 7.234 10.985 ( -0.505 2.830 3.601) 4.608 11.048 ( 7.861 0.373 11.695) 14.097 11.207 ( -11.978 2.810 11.582) 16.897 12.830 ( -4.100 -7.210 -3.482) 8.996 12.996 ( -16.223 3.231 -3.338) 16.875 15.286 ( -2.163 -2.065 3.196) 4.377 15.314 ( -1.711 2.175 1.305) 3.059 17.697 ( -0.651 -13.585 -4.226) 14.242 17.826 ( 0.478 7.181 -3.420) 7.968 20.355 ( 23.359 -7.051 -5.796) 25.079 20.739 ( -17.954 7.569 -2.600) 19.657 22.019 ( 18.036 3.706 11.351) 21.630 22.189 ( -9.622 0.347 5.741) 11.210 ======================= Grid point 283 (148/216) ======================= q-point: (-0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 15.178 -1.626 -0.000) 15.265 2.089 ( 19.321 -28.981 0.000) 34.831 2.214 ( 12.299 2.341 -0.000) 12.520 3.405 ( 15.272 0.414 -0.000) 15.278 3.798 ( 9.471 4.785 -0.000) 10.611 5.036 ( 10.619 -1.699 -0.000) 10.754 5.246 ( 23.316 -6.583 -0.000) 24.228 5.553 ( -4.022 -8.857 0.000) 9.727 5.940 ( 12.581 1.237 -0.000) 12.641 6.279 ( -0.637 2.503 -0.000) 2.583 6.601 ( -4.058 -3.893 0.000) 5.624 7.110 ( 4.717 3.260 -0.000) 5.734 7.547 ( 0.283 6.580 -0.000) 6.586 7.848 ( -25.641 7.675 0.000) 26.765 8.547 ( -4.284 7.966 -0.000) 9.045 8.571 ( -3.278 0.347 0.000) 3.297 8.957 ( 1.708 12.573 -0.000) 12.689 9.176 ( -16.793 2.293 0.000) 16.949 9.227 ( 1.193 -3.454 0.000) 3.654 9.342 ( 16.998 26.055 -0.000) 31.110 9.950 ( -3.599 0.403 0.000) 3.621 10.300 ( -0.882 -30.218 0.000) 30.231 10.305 ( -7.345 3.063 -0.000) 7.958 11.289 ( 10.387 -0.523 -0.000) 10.400 11.454 ( -0.505 0.128 0.000) 0.521 12.029 ( -6.937 15.836 -0.000) 17.288 12.046 ( 4.381 -5.415 0.000) 6.965 12.514 ( -4.227 -16.922 0.000) 17.442 15.187 ( -2.253 0.529 0.000) 2.314 15.744 ( 5.015 2.559 -0.000) 5.630 16.202 ( -0.217 -18.308 0.000) 18.310 17.944 ( 3.076 0.729 -0.000) 3.162 19.822 ( 26.713 -1.808 -0.000) 26.774 20.965 ( -15.573 3.509 0.000) 15.964 22.008 ( -17.088 -3.264 0.000) 17.397 23.581 ( -4.012 10.876 -0.000) 11.593 ======================= Grid point 284 (149/216) ======================= q-point: (-0.18 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 13.327 -0.000 27.047) 30.152 1.899 ( 20.039 -0.000 3.333) 20.314 2.221 ( 11.488 -0.000 -1.790) 11.627 3.413 ( 16.487 -0.000 0.341) 16.491 3.840 ( 9.750 -0.000 1.375) 9.846 4.994 ( 10.897 -0.000 -4.480) 11.782 5.209 ( 24.134 -0.000 1.403) 24.175 5.465 ( -4.385 0.000 -3.580) 5.661 5.863 ( 7.287 -0.000 -10.234) 12.563 6.388 ( 3.247 -0.000 10.875) 11.349 6.557 ( -4.714 0.000 -2.452) 5.314 7.124 ( 4.883 -0.000 -1.027) 4.990 7.558 ( 0.420 0.000 -4.572) 4.592 7.905 ( -25.646 0.000 0.971) 25.664 8.568 ( -5.067 0.000 -0.930) 5.151 8.604 ( -4.245 0.000 0.419) 4.265 9.012 ( 4.944 -0.000 0.332) 4.955 9.185 ( 3.613 -0.000 -1.899) 4.082 9.189 ( -17.718 0.000 -0.977) 17.745 9.715 ( 13.433 -0.000 -5.693) 14.589 9.845 ( -5.754 0.000 -6.545) 8.714 9.942 ( 1.764 -0.000 2.100) 2.742 10.475 ( -6.049 0.000 17.001) 18.045 11.325 ( 9.272 -0.000 5.448) 10.754 11.420 ( -1.694 0.000 -4.886) 5.171 12.013 ( 6.121 -0.000 0.571) 6.148 12.249 ( -6.334 0.000 1.088) 6.427 12.286 ( -4.129 0.000 -1.048) 4.260 15.221 ( -2.067 0.000 3.872) 4.389 15.686 ( 3.352 -0.000 -9.573) 10.143 16.136 ( 2.379 -0.000 7.760) 8.116 17.937 ( 2.971 -0.000 -1.618) 3.383 19.833 ( 26.776 -0.000 3.339) 26.984 21.018 ( -15.572 0.000 3.968) 16.069 21.967 ( -17.249 0.000 -2.601) 17.444 23.579 ( -4.307 0.000 -10.694) 11.529 ======================= Grid point 293 (150/216) ======================= q-point: (-0.36 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 12.423 -0.676 -0.000) 12.441 2.283 ( 10.765 8.427 -0.000) 13.671 2.839 ( 16.843 -39.928 0.000) 43.335 3.476 ( -4.677 -1.940 0.000) 5.064 3.731 ( -5.214 9.302 -0.000) 10.664 5.191 ( 6.096 -2.808 0.000) 6.712 5.631 ( 18.151 -5.748 -0.000) 19.039 5.656 ( -2.410 -11.363 0.000) 11.616 6.103 ( 10.994 -1.874 -0.000) 11.153 6.272 ( 4.973 1.494 -0.000) 5.193 6.639 ( -1.343 -6.937 0.000) 7.066 7.071 ( 1.026 9.779 -0.000) 9.833 7.383 ( -22.559 10.771 -0.000) 24.999 7.419 ( -1.206 11.352 -0.000) 11.416 8.325 ( -7.250 11.679 -0.000) 13.746 8.558 ( -2.601 -1.629 0.000) 3.069 8.629 ( 0.992 28.075 -0.000) 28.092 8.874 ( -19.055 3.470 0.000) 19.369 9.319 ( 2.271 -4.832 0.000) 5.339 9.445 ( 15.189 0.184 -0.000) 15.190 9.903 ( -2.087 0.501 0.000) 2.146 10.130 ( -8.241 6.845 -0.000) 10.713 10.589 ( -3.568 -18.280 0.000) 18.625 11.370 ( 1.361 2.876 -0.000) 3.182 11.569 ( 12.682 -6.214 0.000) 14.123 11.734 ( -6.895 12.675 -0.000) 14.429 12.387 ( 32.743 -5.944 -0.000) 33.278 12.662 ( -0.585 -11.448 0.000) 11.463 15.163 ( -1.657 -1.227 0.000) 2.062 15.765 ( 5.101 4.960 -0.000) 7.115 16.528 ( 5.089 -23.640 0.000) 24.182 17.970 ( 3.168 2.144 -0.000) 3.826 20.197 ( 22.385 -3.453 -0.000) 22.649 20.672 ( -16.441 7.380 -0.000) 18.022 21.778 ( -26.344 -7.556 0.000) 27.406 23.344 ( -6.600 12.926 -0.000) 14.513 ======================= Grid point 294 (151/216) ======================= q-point: (-0.27 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 12.906 1.584 21.568) 25.184 2.330 ( 12.850 -9.496 -0.016) 15.978 2.386 ( 14.243 -15.597 -0.689) 21.134 3.492 ( -2.855 2.688 -0.473) 3.950 3.841 ( -4.637 5.193 1.464) 7.114 5.136 ( 7.108 -1.109 -4.016) 8.239 5.482 ( -1.692 -8.704 -3.653) 9.590 5.558 ( 20.223 -4.154 -0.245) 20.646 5.964 ( 7.992 -0.403 -14.006) 16.130 6.413 ( 4.582 4.041 8.807) 10.718 6.563 ( -0.393 -6.232 2.085) 6.583 7.162 ( 3.563 4.382 -1.567) 5.861 7.501 ( -6.196 7.176 -2.983) 9.939 7.527 ( -17.987 5.018 2.787) 18.881 8.442 ( -9.173 5.860 -0.578) 10.900 8.524 ( -4.229 -1.525 0.307) 4.506 8.914 ( -18.954 2.476 0.132) 19.115 8.951 ( -2.256 15.255 -0.417) 15.427 9.255 ( 4.503 -2.481 -1.628) 5.393 9.593 ( 11.338 15.350 4.912) 19.706 9.803 ( -2.772 0.277 -9.126) 9.542 10.279 ( 0.523 -24.121 -1.783) 24.193 10.362 ( -6.073 3.917 17.041) 18.510 11.381 ( -0.957 1.981 -4.029) 4.591 11.493 ( 9.813 -3.504 1.055) 10.473 11.925 ( -5.056 18.727 -2.377) 19.542 12.338 ( 35.641 -3.059 1.262) 35.794 12.472 ( -2.200 -18.373 0.663) 18.516 15.188 ( -1.622 0.437 4.208) 4.531 15.740 ( 5.304 1.458 -9.874) 11.302 16.322 ( 9.349 -13.856 7.417) 18.287 17.976 ( 3.087 0.615 -1.731) 3.593 20.185 ( 22.314 -1.641 3.114) 22.590 20.773 ( -16.079 4.002 3.360) 16.906 21.685 ( -26.886 -3.641 -2.414) 27.239 23.428 ( -8.954 7.131 -7.460) 13.663 ======================= Grid point 295 (152/216) ======================= q-point: (-0.18 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 9.312 -0.000 31.824) 33.158 2.186 ( 14.199 -0.000 2.861) 14.484 2.332 ( 10.440 -0.000 -4.400) 11.329 3.507 ( -3.531 0.000 -0.525) 3.570 3.898 ( -4.540 0.000 1.588) 4.810 5.056 ( 7.020 -0.000 -6.451) 9.534 5.355 ( -1.452 0.000 -5.764) 5.944 5.529 ( 18.910 -0.000 0.060) 18.910 5.761 ( 6.235 -0.000 -13.908) 15.241 6.451 ( -2.550 0.000 -5.007) 5.618 6.639 ( 6.206 -0.000 12.284) 13.763 7.144 ( 2.632 -0.000 -4.158) 4.921 7.484 ( -0.068 0.000 -5.805) 5.806 7.636 ( -19.340 0.000 7.262) 20.659 8.450 ( -8.126 0.000 -2.349) 8.459 8.536 ( -6.755 0.000 1.264) 6.872 8.939 ( -17.809 0.000 0.602) 17.819 9.029 ( -1.958 0.000 -1.138) 2.264 9.208 ( 4.014 -0.000 -2.933) 4.972 9.694 ( -2.999 0.000 -3.016) 4.253 9.796 ( 10.827 -0.000 -7.062) 12.926 10.071 ( 4.127 -0.000 8.605) 9.543 10.646 ( -5.536 0.000 17.730) 18.574 11.297 ( -2.539 0.000 -8.027) 8.419 11.527 ( 6.620 -0.000 4.607) 8.065 12.156 ( -3.314 0.000 -0.534) 3.357 12.213 ( -3.520 0.000 -1.510) 3.830 12.335 ( 34.847 -0.000 1.210) 34.868 15.275 ( -1.300 0.000 7.067) 7.186 15.574 ( 5.811 -0.000 -13.798) 14.971 16.355 ( 10.094 -0.000 9.719) 14.013 17.943 ( 2.719 -0.000 -3.318) 4.290 20.239 ( 21.921 -0.000 6.184) 22.777 20.853 ( -17.280 0.000 3.564) 17.643 21.626 ( -26.066 0.000 -2.133) 26.153 23.328 ( -6.904 0.000 -13.331) 15.013 ======================= Grid point 303 (153/216) ======================= q-point: (-0.45 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 9.196 0.086 -0.000) 9.196 2.276 ( 9.387 13.782 -0.000) 16.675 3.236 ( -10.505 1.415 0.000) 10.600 3.438 ( -14.647 12.491 -0.000) 19.250 3.711 ( 5.432 -47.997 0.000) 48.303 5.260 ( -0.459 -1.675 0.000) 1.737 5.732 ( -2.338 -3.973 0.000) 4.610 5.849 ( 10.093 3.596 -0.000) 10.714 6.308 ( 6.700 -9.691 0.000) 11.782 6.389 ( 8.848 -2.051 -0.000) 9.083 6.689 ( -2.839 -1.490 0.000) 3.206 6.851 ( -10.475 13.793 -0.000) 17.319 6.980 ( -10.884 12.795 -0.000) 16.798 7.269 ( 1.503 6.640 -0.000) 6.808 8.070 ( -6.808 11.518 -0.000) 13.380 8.182 ( -3.719 28.004 -0.000) 28.250 8.574 ( -17.748 2.282 0.000) 17.894 8.702 ( 5.926 -9.262 0.000) 10.996 9.409 ( 0.757 -5.410 0.000) 5.463 9.677 ( 11.885 -5.701 0.000) 13.182 9.872 ( -0.567 1.907 -0.000) 1.990 9.911 ( -6.649 9.701 -0.000) 11.761 10.702 ( -6.886 -11.345 0.000) 13.271 11.328 ( -0.628 3.330 -0.000) 3.389 11.522 ( -5.074 7.273 -0.000) 8.868 11.869 ( 13.613 -9.824 0.000) 16.788 12.828 ( 6.963 -7.934 0.000) 10.556 13.078 ( 57.546 -1.721 -0.000) 57.572 15.173 ( -0.964 -3.002 0.000) 3.153 15.755 ( 4.735 6.936 -0.000) 8.398 16.930 ( 9.670 -20.495 0.000) 22.662 17.970 ( 2.812 4.315 -0.000) 5.151 20.301 ( -19.369 11.396 -0.000) 22.472 20.539 ( 18.619 -5.066 -0.000) 19.296 21.471 ( -36.820 -12.534 0.000) 38.895 23.071 ( -8.571 11.756 -0.000) 14.549 ======================= Grid point 304 (154/216) ======================= q-point: (-0.36 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 10.932 3.128 17.258) 20.667 2.413 ( 10.183 9.316 -2.761) 14.075 3.048 ( 12.247 -41.602 0.153) 43.368 3.297 ( -19.244 0.606 -1.620) 19.321 3.604 ( -13.972 9.460 2.098) 17.003 5.190 ( -0.731 -0.060 -7.301) 7.338 5.610 ( 0.040 -10.723 -2.279) 10.963 5.834 ( 12.434 -1.747 -2.457) 12.794 6.120 ( 9.662 -4.539 -11.270) 15.524 6.449 ( 5.950 1.553 4.560) 7.656 6.658 ( 1.325 -4.358 3.495) 5.741 7.057 ( -6.692 10.835 3.312) 13.159 7.168 ( -9.686 10.099 4.149) 14.596 7.363 ( -2.864 9.181 -3.106) 10.107 8.206 ( -9.144 9.281 -0.179) 13.031 8.493 ( -5.826 6.508 -0.629) 8.757 8.608 ( -17.513 2.774 0.042) 17.732 8.667 ( 0.496 12.421 1.774) 12.557 9.353 ( 2.293 -4.396 0.430) 4.976 9.660 ( 8.535 -0.866 3.335) 9.204 9.773 ( 0.751 1.705 -7.163) 7.401 10.200 ( -5.700 6.777 17.397) 19.521 10.514 ( -4.657 -15.506 -1.788) 16.289 11.332 ( -1.499 2.539 -4.916) 5.733 11.599 ( -1.204 10.967 -6.811) 12.966 11.743 ( 5.503 -6.095 0.259) 8.216 12.696 ( 3.203 -15.534 2.752) 16.097 13.063 ( 61.530 -1.213 0.332) 61.543 15.176 ( -0.683 -1.095 4.326) 4.515 15.781 ( 5.899 4.362 -7.428) 10.440 16.710 ( 15.098 -17.146 5.000) 23.386 18.001 ( 2.738 1.933 -1.561) 3.697 20.451 ( -18.530 8.363 2.215) 20.450 20.501 ( 18.178 -3.331 2.831) 18.696 21.313 ( -37.589 -8.000 -2.614) 38.519 23.175 ( -11.074 9.041 -5.232) 15.223 ======================= Grid point 305 (155/216) ======================= q-point: (-0.27 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 9.216 3.760 26.998) 28.774 2.445 ( 10.175 3.641 -4.885) 11.860 2.563 ( 9.648 -27.667 -0.119) 29.301 3.308 ( -20.527 2.948 -2.099) 20.844 3.729 ( -13.723 4.754 1.957) 14.654 5.077 ( -2.644 1.728 -10.277) 10.752 5.422 ( 1.596 -9.323 -4.568) 10.504 5.764 ( 11.850 -1.630 -3.824) 12.558 5.907 ( 12.222 -2.373 -12.114) 17.371 6.454 ( 2.902 -0.709 -3.925) 4.933 6.726 ( 4.170 -0.769 9.832) 10.707 7.149 ( 0.289 3.563 -4.398) 5.668 7.367 ( -10.838 6.156 8.306) 14.979 7.427 ( -3.790 5.825 -1.441) 7.097 8.298 ( -10.259 3.808 0.013) 10.943 8.455 ( -5.355 -2.343 -0.747) 5.893 8.659 ( -18.284 3.523 1.075) 18.651 8.894 ( -4.761 12.166 -0.659) 13.081 9.279 ( 1.965 -4.316 -2.969) 5.595 9.669 ( 0.635 0.021 0.457) 0.782 9.826 ( 7.651 6.580 2.105) 10.308 10.277 ( 1.054 -15.529 1.110) 15.604 10.534 ( -5.729 4.871 18.276) 19.763 11.256 ( -2.502 0.847 -8.783) 9.172 11.597 ( 2.913 -1.157 -0.849) 3.247 11.818 ( -4.213 20.299 -3.532) 21.031 12.477 ( 0.234 -23.573 2.522) 23.709 13.048 ( 62.906 -0.911 -0.573) 62.915 15.256 ( -0.612 0.216 7.580) 7.608 15.676 ( 9.162 1.418 -12.283) 15.389 16.620 ( 17.174 -9.653 7.354) 21.029 17.979 ( 2.543 0.258 -3.549) 4.374 20.513 ( 8.768 -0.326 2.296) 9.070 20.576 ( -12.058 2.645 4.067) 12.998 21.212 ( -36.138 -2.794 -0.550) 36.250 23.163 ( -10.821 4.821 -9.621) 15.261 ======================= Grid point 306 (156/216) ======================= q-point: (-0.18 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 3.561 -0.000 9.513) 10.158 2.353 ( 7.424 -0.000 -1.005) 7.492 2.443 ( 11.171 -0.000 11.187) 15.810 3.300 ( -22.785 0.000 -2.344) 22.906 3.779 ( -13.523 0.000 0.758) 13.545 4.940 ( -6.259 0.000 -12.035) 13.565 5.279 ( 2.146 -0.000 -5.366) 5.779 5.690 ( 7.735 -0.000 -5.553) 9.522 5.741 ( 14.587 -0.000 -9.041) 17.162 6.379 ( 3.622 -0.000 -4.931) 6.119 6.850 ( 3.855 -0.000 7.899) 8.789 7.086 ( -0.124 0.000 -5.977) 5.978 7.405 ( -0.357 0.000 -5.063) 5.076 7.582 ( -10.923 0.000 13.537) 17.394 8.303 ( -8.171 0.000 -1.415) 8.292 8.453 ( -7.563 0.000 1.371) 7.686 8.715 ( -16.792 0.000 2.338) 16.954 8.947 ( -5.963 0.000 -1.888) 6.254 9.187 ( 0.615 -0.000 -4.480) 4.522 9.709 ( 2.826 -0.000 4.107) 4.986 9.823 ( 6.701 -0.000 -6.314) 9.207 10.266 ( 4.708 -0.000 10.179) 11.215 10.766 ( -4.462 0.000 7.616) 8.826 11.167 ( -3.599 0.000 -2.190) 4.212 11.577 ( -2.755 0.000 -1.107) 2.969 12.125 ( -1.881 0.000 1.541) 2.432 12.154 ( -2.306 0.000 -0.883) 2.469 13.024 ( 61.786 -0.000 -1.912) 61.815 15.371 ( -0.306 -0.000 8.008) 8.014 15.507 ( 11.884 -0.000 -12.602) 17.322 16.651 ( 15.456 -0.000 6.254) 16.674 17.921 ( 2.045 -0.000 -4.503) 4.945 20.493 ( -15.052 0.000 -6.491) 16.392 20.671 ( 5.386 -0.000 8.812) 10.327 21.238 ( -31.624 0.000 6.270) 32.239 23.043 ( -8.003 0.000 -12.018) 14.439 ======================= Grid point 313 (157/216) ======================= q-point: ( 0.45 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 5.535 0.156 -0.000) 5.537 2.180 ( 7.510 18.429 -0.000) 19.901 2.990 ( -20.906 -2.474 0.000) 21.052 3.027 ( -17.021 15.424 -0.000) 22.970 4.435 ( 9.232 -41.199 0.000) 42.221 5.236 ( -4.006 -0.037 0.000) 4.006 5.684 ( -6.102 2.056 0.000) 6.439 5.775 ( 2.362 24.318 -0.000) 24.433 6.391 ( -7.188 2.630 0.000) 7.654 6.435 ( -2.414 4.562 -0.000) 5.161 6.528 ( -9.194 11.162 -0.000) 14.461 6.717 ( 8.020 -2.865 -0.000) 8.517 6.780 ( -3.485 -5.943 0.000) 6.889 7.345 ( 7.150 -4.502 0.000) 8.450 7.795 ( -2.356 23.380 -0.000) 23.499 7.821 ( -9.120 9.456 -0.000) 13.137 8.346 ( -13.488 -1.801 0.000) 13.608 8.966 ( 9.392 -13.580 0.000) 16.511 9.477 ( -1.134 -5.154 0.000) 5.277 9.710 ( -2.676 10.108 -0.000) 10.456 9.824 ( -0.501 4.063 -0.000) 4.093 9.911 ( 9.000 -6.775 0.000) 11.265 10.746 ( -6.129 -10.445 0.000) 12.110 11.272 ( -0.809 3.453 -0.000) 3.546 11.368 ( -6.713 4.641 -0.000) 8.161 12.184 ( 11.725 -10.332 0.000) 15.628 13.083 ( 15.605 -7.066 0.000) 17.130 13.990 ( 73.555 3.440 -0.000) 73.636 15.213 ( -0.247 -4.178 0.000) 4.185 15.716 ( 4.240 8.233 -0.000) 9.261 17.317 ( 12.873 -13.729 0.000) 18.820 17.927 ( 1.399 6.894 -0.000) 7.034 19.826 ( -23.915 14.759 -0.000) 28.103 20.842 ( 12.470 -5.721 0.000) 13.719 21.092 ( -44.915 -18.301 0.000) 48.501 22.809 ( -8.523 9.336 -0.000) 12.641 ======================= Grid point 314 (158/216) ======================= q-point: ( 0.55 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 7.932 4.241 13.980) 16.623 2.383 ( 7.963 14.212 -2.540) 16.487 2.957 ( -25.026 -0.722 -1.756) 25.098 3.240 ( -15.555 13.122 2.646) 20.522 3.815 ( 8.879 -48.165 -1.787) 49.010 5.129 ( -5.518 1.930 -13.564) 14.770 5.726 ( 0.659 -4.546 2.592) 5.275 5.943 ( 7.131 6.285 -3.999) 10.312 6.316 ( 3.314 -7.699 -5.272) 9.902 6.458 ( -3.748 3.923 0.254) 5.432 6.614 ( -4.936 7.822 -1.133) 9.318 6.833 ( -1.333 6.068 9.673) 11.496 6.930 ( -2.412 14.901 4.338) 15.706 7.292 ( 2.413 -2.178 -0.094) 3.252 7.950 ( -8.420 11.445 -1.620) 14.300 8.144 ( -4.943 23.896 2.374) 24.517 8.345 ( -15.857 0.007 1.521) 15.929 8.776 ( 5.829 -11.279 -2.269) 12.898 9.426 ( -0.277 -4.435 1.258) 4.618 9.719 ( -0.135 1.492 -4.395) 4.643 9.855 ( 8.317 -3.588 2.907) 9.513 10.042 ( -2.595 7.543 14.417) 16.477 10.598 ( -7.081 -11.429 -0.491) 13.454 11.275 ( -1.483 2.820 -5.395) 6.266 11.412 ( -4.521 8.549 -5.683) 11.217 11.984 ( 7.882 -11.987 -5.821) 15.482 12.986 ( 9.947 -14.791 5.853) 18.762 14.024 ( 75.740 2.564 -0.805) 75.787 15.200 ( 0.580 -2.794 4.727) 5.521 15.789 ( 5.670 6.516 -4.033) 9.533 17.156 ( 19.055 -13.133 2.570) 23.285 17.993 ( 1.319 4.054 -1.146) 4.414 20.019 ( -23.455 12.624 1.090) 26.659 20.784 ( 11.322 -4.259 1.242) 12.160 20.856 ( -44.859 -13.689 -2.464) 46.966 22.903 ( -10.639 8.405 -3.557) 14.017 ======================= Grid point 315 (159/216) ======================= q-point: (-0.36 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 7.802 6.236 23.003) 25.078 2.483 ( 7.356 9.021 -4.786) 12.586 2.916 ( -28.634 -0.480 -3.766) 28.885 3.166 ( 6.796 -42.139 -2.734) 42.771 3.430 ( -15.014 8.948 2.742) 17.692 4.960 ( -7.535 4.163 -16.160) 18.310 5.604 ( 3.097 -11.974 -2.496) 12.617 5.894 ( 5.390 -0.643 -6.900) 8.779 6.134 ( 11.434 -5.216 -7.647) 14.711 6.504 ( 2.906 3.683 -3.017) 5.578 6.733 ( -1.857 3.814 6.595) 7.841 7.029 ( -4.665 7.889 1.968) 9.374 7.178 ( -0.955 11.074 5.886) 12.578 7.301 ( -2.454 2.804 1.358) 3.966 8.074 ( -9.527 8.848 0.284) 13.005 8.357 ( -13.391 4.149 0.797) 14.042 8.412 ( -9.081 3.707 -0.415) 9.818 8.685 ( -0.592 5.036 -0.057) 5.071 9.362 ( -0.247 -5.974 -1.380) 6.136 9.709 ( 3.250 -1.002 2.945) 4.499 9.883 ( 6.385 -0.313 4.424) 7.775 10.368 ( -3.928 8.434 14.731) 17.423 10.439 ( -5.216 -12.426 2.775) 13.759 11.203 ( -2.544 1.767 -9.025) 9.542 11.474 ( -1.608 16.554 -7.790) 18.366 11.751 ( 1.458 -9.236 -6.047) 11.135 12.825 ( 5.473 -23.355 6.561) 24.868 14.033 ( 76.603 1.663 -2.129) 76.651 15.263 ( 1.003 -1.340 7.928) 8.102 15.774 ( 9.649 3.727 -7.659) 12.871 17.042 ( 22.582 -10.607 3.569) 25.203 17.999 ( 1.600 1.422 -3.127) 3.790 20.150 ( -27.822 6.669 -3.165) 28.785 20.692 ( -45.148 -4.548 -0.403) 45.378 20.783 ( 13.364 -3.656 5.538) 14.921 22.931 ( -10.821 6.391 -6.510) 14.153 ======================= Grid point 316 (160/216) ======================= q-point: (-0.27 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 3.622 2.988 8.802) 9.976 2.552 ( 9.908 4.557 7.651) 13.322 2.622 ( 2.538 -24.846 -4.394) 25.359 2.888 ( -31.596 -0.056 -4.058) 31.855 3.547 ( -14.607 4.348 1.285) 15.295 4.791 ( -10.078 4.074 -16.671) 19.902 5.398 ( 3.721 -10.155 -4.170) 11.591 5.758 ( 1.673 -1.385 -10.370) 10.595 5.980 ( 16.046 -2.652 -6.873) 17.657 6.470 ( 7.449 0.190 -4.097) 8.504 6.877 ( 0.878 2.132 7.454) 7.802 7.060 ( -2.481 2.198 -5.275) 6.230 7.337 ( -0.426 8.094 -3.103) 8.679 7.430 ( -8.475 2.041 11.801) 14.672 8.174 ( -8.974 2.639 2.077) 9.582 8.363 ( -5.653 -1.188 -0.846) 5.838 8.452 ( -14.577 4.798 2.985) 15.634 8.802 ( -6.658 7.340 -0.956) 9.956 9.238 ( -0.272 -7.095 -3.108) 7.750 9.758 ( 4.880 0.131 4.185) 6.430 9.905 ( 2.729 -3.044 -0.425) 4.110 10.361 ( 2.332 -4.796 7.465) 9.174 10.673 ( -4.710 4.670 10.848) 12.715 11.107 ( -3.108 1.612 -5.153) 6.230 11.544 ( -3.471 -1.059 -5.443) 6.542 11.722 ( -2.616 24.158 -3.027) 24.487 12.537 ( 1.365 -31.215 4.001) 31.500 14.005 ( 76.897 0.666 -4.163) 77.012 15.369 ( 0.551 -0.195 8.400) 8.420 15.687 ( 14.245 1.096 -8.956) 16.862 16.971 ( 22.858 -6.265 2.142) 23.798 17.950 ( 1.643 -0.206 -4.739) 5.020 20.076 ( -37.608 0.343 -12.324) 39.577 20.741 ( -38.260 1.360 8.430) 39.201 20.854 ( 12.765 -0.978 9.179) 15.753 22.893 ( -9.079 3.447 -8.377) 12.825 ======================= Grid point 317 (161/216) ======================= q-point: (-0.18 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 3.503 -0.000 -6.546) 7.425 2.355 ( 1.182 -0.000 -7.406) 7.499 2.732 ( -14.083 0.000 1.476) 14.160 2.903 ( -15.868 0.000 8.979) 18.232 3.582 ( -14.094 0.000 -0.119) 14.094 4.592 ( -13.279 0.000 -16.092) 20.864 5.274 ( 5.079 -0.000 -2.623) 5.717 5.578 ( -3.007 0.000 -13.812) 14.135 5.880 ( 17.449 -0.000 -4.702) 18.072 6.429 ( 8.856 -0.000 -1.488) 8.981 6.976 ( 2.250 -0.000 4.056) 4.638 6.997 ( -1.699 0.000 -4.382) 4.700 7.333 ( -0.858 0.000 -4.358) 4.441 7.602 ( -13.464 0.000 10.174) 16.876 8.215 ( -5.119 0.000 2.973) 5.920 8.377 ( -6.916 0.000 2.584) 7.383 8.556 ( -11.913 0.000 4.782) 12.837 8.823 ( -7.914 0.000 -1.807) 8.118 9.132 ( -0.285 0.000 -3.034) 3.047 9.814 ( 3.783 -0.000 1.787) 4.184 9.825 ( 4.722 -0.000 -4.023) 6.203 10.479 ( 4.601 -0.000 11.190) 12.099 10.720 ( -1.628 0.000 -5.587) 5.820 11.165 ( -4.858 0.000 8.640) 9.912 11.467 ( -6.745 0.000 -3.499) 7.599 12.112 ( -3.096 0.000 0.600) 3.154 12.133 ( -0.772 0.000 1.116) 1.357 13.934 ( 75.285 -0.000 -6.660) 75.579 15.473 ( 0.424 -0.000 6.179) 6.193 15.574 ( 17.996 -0.000 -7.536) 19.510 16.936 ( 19.784 -0.000 -1.127) 19.816 17.879 ( 1.182 -0.000 -4.630) 4.778 19.876 ( -41.095 0.000 -15.788) 44.024 20.901 ( -35.061 0.000 12.506) 37.225 21.002 ( 9.710 -0.000 12.327) 15.692 22.794 ( -6.194 0.000 -9.088) 10.998 ======================= Grid point 323 (162/216) ======================= q-point: ( 0.36 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 1.823 -0.052 -0.000) 1.823 1.999 ( 5.112 22.229 -0.000) 22.810 2.569 ( -15.457 19.343 -0.000) 24.761 2.789 ( -16.473 -8.009 0.000) 18.317 4.920 ( 6.539 -5.982 0.000) 8.863 5.135 ( -4.024 15.834 -0.000) 16.337 5.290 ( -8.080 28.994 -0.000) 30.099 5.622 ( -8.622 -18.836 0.000) 20.716 6.163 ( -4.313 23.695 -0.000) 24.084 6.326 ( -3.919 3.838 -0.000) 5.485 6.341 ( -0.151 -2.910 0.000) 2.914 6.865 ( 6.478 -1.721 -0.000) 6.703 6.992 ( -3.208 -25.445 0.000) 25.646 7.361 ( -4.304 13.893 -0.000) 14.544 7.506 ( 0.136 18.176 -0.000) 18.176 7.693 ( -3.130 -10.434 0.000) 10.893 8.259 ( -7.539 -7.047 0.000) 10.320 9.302 ( 10.710 -15.220 0.000) 18.611 9.492 ( 0.006 4.293 -0.000) 4.293 9.600 ( -1.230 -0.030 0.000) 1.231 9.744 ( -0.032 7.231 -0.000) 7.231 10.099 ( 4.254 -7.278 0.000) 8.430 10.824 ( -2.211 -9.793 0.000) 10.039 11.203 ( -9.321 2.907 0.000) 9.764 11.220 ( -0.270 2.995 -0.000) 3.007 12.448 ( 8.561 -7.428 0.000) 11.334 13.441 ( 20.628 -7.967 0.000) 22.113 14.987 ( 76.699 7.849 -0.000) 77.099 15.276 ( 0.653 -4.906 0.000) 4.949 15.674 ( 8.033 8.073 -0.000) 11.388 17.637 ( 13.997 -5.844 0.000) 15.168 17.820 ( -2.157 8.701 -0.000) 8.964 19.254 ( -27.684 16.589 -0.000) 32.274 20.595 ( -53.333 -18.613 0.000) 56.487 21.147 ( 8.554 -9.863 0.000) 13.056 22.598 ( -6.246 6.665 -0.000) 9.134 ======================= Grid point 324 (163/216) ======================= q-point: ( 0.45 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 4.285 4.298 11.360) 12.880 2.263 ( 5.765 18.340 -1.706) 19.300 2.671 ( -21.250 -6.626 -1.974) 22.346 2.839 ( -13.365 16.576 3.044) 21.510 4.544 ( 9.176 -39.808 -4.095) 41.057 5.010 ( -6.715 0.616 -19.216) 20.365 5.707 ( -4.210 4.342 13.389) 14.692 5.760 ( -1.292 32.249 -2.321) 32.358 6.234 ( -4.820 2.948 -6.348) 8.498 6.402 ( -8.225 -1.462 3.566) 9.083 6.471 ( 1.357 11.939 0.379) 12.022 6.748 ( -3.019 -6.403 1.815) 7.308 6.893 ( 7.162 0.837 6.148) 9.476 7.433 ( 4.868 -6.197 0.394) 7.891 7.661 ( -10.105 10.792 -2.264) 14.957 7.793 ( -2.034 21.212 2.626) 21.471 8.197 ( -10.108 -5.352 2.930) 11.807 9.045 ( 6.890 -14.496 -6.455) 17.299 9.472 ( -0.547 -4.097 0.879) 4.226 9.684 ( 1.843 4.863 1.734) 5.481 9.898 ( -3.136 4.765 10.422) 11.881 10.036 ( 6.460 -3.206 1.913) 7.462 10.667 ( -4.414 -12.319 -0.577) 13.099 11.220 ( -1.048 2.813 -5.395) 6.174 11.235 ( -6.920 6.436 -4.775) 10.588 12.245 ( 6.857 -11.065 -9.753) 16.266 13.359 ( 14.276 -15.326 8.958) 22.780 15.000 ( 58.277 5.918 -7.856) 59.102 15.317 ( 20.781 -3.426 10.588) 23.573 15.783 ( 8.691 6.960 0.451) 11.144 17.563 ( 20.359 -6.039 0.591) 21.244 17.917 ( -3.009 6.215 -0.274) 6.911 19.470 ( -27.899 15.602 -0.124) 31.965 20.317 ( -54.737 -16.043 -5.694) 57.324 21.047 ( 9.952 -7.597 2.144) 12.703 22.672 ( -7.758 6.763 -2.297) 10.546 ======================= Grid point 325 (164/216) ======================= q-point: ( 0.55 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 5.266 8.195 19.619) 21.905 2.406 ( -2.532 7.144 -4.008) 8.574 2.571 ( -18.373 -0.014 -3.700) 18.742 3.084 ( -12.656 13.583 2.913) 18.793 3.870 ( 5.746 -48.675 -5.501) 49.321 4.779 ( -7.793 6.531 -21.330) 23.630 5.798 ( 5.557 -6.559 -0.169) 8.598 5.948 ( 3.828 2.992 -5.439) 7.293 6.262 ( -1.827 8.428 -4.515) 9.734 6.380 ( -7.393 -0.804 3.168) 8.083 6.597 ( 0.795 11.046 2.021) 11.257 6.862 ( -4.279 9.214 2.162) 10.387 7.060 ( 4.204 7.828 7.709) 11.763 7.332 ( 1.486 -7.339 1.238) 7.590 7.800 ( -9.119 12.909 -2.018) 15.934 8.104 ( -4.888 18.127 1.957) 18.876 8.201 ( -10.833 -2.238 5.432) 12.323 8.777 ( 2.728 -10.927 -6.427) 12.967 9.428 ( -0.761 -5.249 0.947) 5.387 9.766 ( 4.539 0.875 5.178) 6.941 9.991 ( 2.809 -4.513 4.883) 7.218 10.203 ( -1.319 9.759 12.208) 15.685 10.508 ( -6.103 -11.448 1.587) 13.070 11.143 ( -2.400 1.995 -9.484) 9.984 11.261 ( -2.730 11.354 -7.865) 14.080 11.934 ( 3.286 -11.997 -11.742) 17.105 13.244 ( 9.458 -23.598 10.518) 27.513 14.987 ( 51.521 6.841 -5.773) 52.293 15.413 ( 28.693 -4.347 9.916) 30.668 15.857 ( 11.714 4.028 -0.468) 12.396 17.490 ( 24.879 -5.821 0.068) 25.551 17.970 ( -1.821 3.569 -1.649) 4.333 19.615 ( -33.924 8.391 -5.853) 35.433 20.078 ( -52.692 -6.817 -2.639) 53.197 21.006 ( 9.726 -5.402 4.451) 11.983 22.714 ( -7.911 6.222 -4.047) 10.848 ======================= Grid point 326 (165/216) ======================= q-point: (-0.36 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( -16.473 -2.256 -1.304) 16.678 2.426 ( -9.031 6.950 9.875) 15.079 2.592 ( 3.779 7.977 -0.349) 8.834 3.162 ( 2.629 -42.860 -6.775) 43.472 3.270 ( -12.423 8.599 1.699) 15.204 4.581 ( -8.970 6.813 -20.380) 23.286 5.617 ( 4.696 -13.196 -3.598) 14.461 5.803 ( 0.254 -4.231 -11.384) 12.148 6.221 ( 11.628 -2.285 -3.373) 12.321 6.488 ( 2.100 10.280 -3.381) 11.024 6.795 ( -2.995 7.784 6.662) 10.674 6.959 ( -4.935 4.190 -1.147) 6.575 7.226 ( 1.304 7.551 -0.481) 7.678 7.329 ( -3.560 -0.577 6.222) 7.192 7.951 ( -9.410 11.247 1.006) 14.699 8.245 ( -8.069 0.868 6.280) 10.262 8.291 ( -6.134 3.851 -1.614) 7.420 8.649 ( -2.743 1.617 -1.278) 3.431 9.345 ( -0.224 -8.737 0.276) 8.744 9.838 ( 5.156 -0.940 4.198) 6.715 9.986 ( 1.219 -5.191 3.005) 6.120 10.424 ( -0.450 -1.402 4.839) 5.058 10.527 ( -5.414 4.811 13.528) 15.345 11.040 ( -2.592 2.571 -8.010) 8.803 11.343 ( -1.200 18.482 -8.574) 20.409 11.646 ( -1.052 -8.708 -7.954) 11.840 13.005 ( 5.181 -32.217 8.012) 33.600 15.010 ( 60.061 7.780 -5.842) 60.844 15.471 ( 21.085 -5.352 8.008) 23.181 15.873 ( 15.120 0.344 -1.399) 15.189 17.406 ( 27.391 -4.933 -2.030) 27.905 17.962 ( -0.052 0.764 -3.684) 3.763 19.479 ( -49.105 -2.622 -14.913) 51.386 20.122 ( -43.319 5.703 5.874) 44.086 21.035 ( 9.183 -2.841 7.798) 12.378 22.723 ( -6.724 4.877 -5.225) 9.812 ======================= Grid point 327 (166/216) ======================= q-point: (-0.27 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( -33.677 -2.188 -6.531) 34.375 2.462 ( 1.599 2.667 -9.653) 10.142 2.552 ( -2.036 -24.719 -10.807) 27.055 2.873 ( 5.041 4.057 15.445) 16.746 3.374 ( -11.663 4.449 0.566) 12.496 4.387 ( -11.094 4.428 -18.637) 22.136 5.414 ( 4.911 -9.273 -2.489) 10.784 5.554 ( -3.174 -3.899 -16.048) 16.817 6.142 ( 17.405 -2.013 -3.547) 17.877 6.533 ( 7.364 3.799 -2.187) 8.570 6.937 ( -1.850 4.431 -1.555) 5.047 6.981 ( -3.071 0.985 3.109) 4.479 7.285 ( -2.427 4.541 -2.392) 5.678 7.395 ( -11.816 -0.076 2.828) 12.150 8.106 ( -8.029 5.489 4.370) 10.663 8.287 ( -3.940 1.444 0.368) 4.213 8.382 ( -5.573 4.554 8.204) 10.914 8.693 ( -6.607 3.258 -0.911) 7.423 9.210 ( 0.006 -10.751 -0.419) 10.759 9.848 ( 3.676 -0.271 -0.596) 3.734 9.931 ( 1.757 -5.787 -0.028) 6.047 10.534 ( 3.327 0.717 11.005) 11.519 10.681 ( -1.796 3.002 -1.690) 3.885 11.067 ( -4.270 4.517 6.072) 8.690 11.380 ( -6.559 1.015 -7.147) 9.754 11.664 ( -1.334 24.589 -1.308) 24.660 12.614 ( 1.368 -39.342 4.376) 39.608 15.000 ( 74.306 5.258 -9.279) 75.068 15.505 ( 6.572 -3.475 5.794) 9.425 15.836 ( 18.110 -2.088 -1.694) 18.309 17.301 ( 27.844 -3.057 -5.651) 28.576 17.899 ( 0.703 -0.769 -4.704) 4.818 19.227 ( -53.084 -1.952 -15.934) 55.458 20.301 ( -44.686 4.841 8.685) 45.779 21.145 ( 8.513 -0.690 11.284) 14.152 22.696 ( -4.720 2.688 -6.121) 8.183 ======================= Grid point 328 (167/216) ======================= q-point: (-0.18 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -41.375 0.000 -7.201) 41.997 2.189 ( -2.702 0.000 -14.455) 14.705 2.325 ( 2.108 -0.000 -12.293) 12.473 3.042 ( 2.963 -0.000 3.178) 4.345 3.408 ( -10.394 0.000 0.382) 10.401 4.182 ( -13.283 0.000 -14.763) 19.859 5.270 ( -5.227 0.000 -18.109) 18.848 5.348 ( 4.703 -0.000 0.225) 4.709 6.081 ( 19.358 -0.000 -3.069) 19.600 6.554 ( 8.276 -0.000 1.805) 8.471 6.929 ( -2.448 0.000 -1.261) 2.754 7.005 ( 0.493 -0.000 -3.497) 3.532 7.257 ( -1.467 0.000 -4.433) 4.670 7.457 ( -22.787 0.000 6.522) 23.702 8.214 ( -6.381 0.000 5.883) 8.679 8.341 ( -3.285 0.000 4.187) 5.322 8.551 ( -2.496 0.000 8.447) 8.808 8.689 ( -7.504 0.000 -1.621) 7.677 9.102 ( 0.054 0.000 -1.140) 1.141 9.829 ( 0.995 -0.000 -4.039) 4.160 9.868 ( 6.285 -0.000 -0.216) 6.288 10.597 ( 1.561 -0.000 -6.937) 7.110 10.737 ( 4.182 -0.000 12.450) 13.133 11.217 ( -4.796 0.000 7.515) 8.915 11.320 ( -8.400 0.000 -1.813) 8.594 12.056 ( -3.722 0.000 -1.058) 3.870 12.165 ( 0.420 -0.000 3.662) 3.686 14.873 ( 77.172 -0.000 -13.967) 78.426 15.542 ( 0.642 -0.000 2.372) 2.458 15.798 ( 21.794 -0.000 -0.325) 21.797 17.171 ( 25.634 -0.000 -9.986) 27.510 17.832 ( 0.421 -0.000 -3.548) 3.573 19.001 ( -51.698 0.000 -14.743) 53.759 20.479 ( -50.273 0.000 12.410) 51.782 21.314 ( 7.978 -0.000 13.008) 15.260 22.624 ( -2.635 0.000 -6.817) 7.309 ======================= Grid point 333 (168/216) ======================= q-point: ( 0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -0.580 -0.244 0.000) 0.629 1.737 ( 2.265 24.847 -0.000) 24.950 2.091 ( -11.142 24.429 -0.000) 26.850 2.754 ( -6.728 -10.402 0.000) 12.389 4.470 ( -6.114 53.310 -0.000) 53.659 4.789 ( -2.313 18.929 -0.000) 19.070 5.131 ( -3.890 0.399 0.000) 3.910 5.739 ( -0.101 25.046 -0.000) 25.046 6.023 ( -3.176 -34.916 0.000) 35.060 6.265 ( -1.340 0.510 0.000) 1.434 6.428 ( 6.282 -2.948 0.000) 6.940 6.914 ( 0.105 5.244 -0.000) 5.245 7.021 ( -9.788 13.688 -0.000) 16.827 7.299 ( -1.263 -17.688 0.000) 17.733 7.305 ( -0.827 4.711 -0.000) 4.783 7.855 ( 0.002 -13.300 0.000) 13.300 8.310 ( -2.583 -10.465 0.000) 10.779 9.384 ( 0.976 10.989 -0.000) 11.032 9.614 ( 3.595 1.309 -0.000) 3.826 9.652 ( -0.934 -7.927 0.000) 7.981 9.667 ( 5.118 -7.598 0.000) 9.161 10.221 ( 0.015 -6.930 0.000) 6.930 10.888 ( -0.136 2.078 -0.000) 2.082 11.096 ( -6.749 -8.452 0.000) 10.816 11.189 ( 0.429 1.947 -0.000) 1.994 12.606 ( 4.340 -2.636 0.000) 5.077 13.825 ( 16.710 -8.427 0.000) 18.715 15.359 ( 1.324 -5.366 0.000) 5.527 15.459 ( 8.585 10.374 -0.000) 13.466 16.138 ( 68.267 6.537 -0.000) 68.579 17.644 ( -7.636 6.167 -0.000) 9.815 17.853 ( 12.470 1.295 -0.000) 12.537 18.654 ( -25.026 16.246 -0.000) 29.837 20.080 ( -52.219 -17.026 0.000) 54.924 21.376 ( 5.102 -9.876 0.000) 11.116 22.462 ( -2.843 4.420 -0.000) 5.256 ======================= Grid point 334 (169/216) ======================= q-point: ( 0.36 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 1.088 3.320 9.392) 10.021 2.059 ( 3.432 22.012 0.492) 22.284 2.407 ( -9.370 20.977 0.593) 22.982 2.600 ( -9.718 -11.645 -0.160) 15.168 4.742 ( -1.652 11.130 -23.987) 26.494 5.157 ( -4.457 45.131 2.135) 45.401 5.269 ( 7.664 -22.722 2.614) 24.122 5.575 ( -11.513 -10.561 13.049) 20.356 6.090 ( -1.365 21.610 -4.227) 22.062 6.275 ( 2.451 3.319 -1.201) 4.297 6.418 ( -1.872 -3.671 6.162) 7.413 6.941 ( -2.770 -23.645 -0.644) 23.815 6.964 ( 4.686 1.910 2.669) 5.720 7.262 ( -8.246 18.433 0.101) 20.193 7.528 ( 0.555 17.507 1.789) 17.606 7.674 ( 0.473 -12.911 -0.920) 12.953 8.200 ( -4.101 -9.499 3.579) 10.948 9.292 ( 3.371 -8.335 -13.133) 15.916 9.539 ( 1.796 -5.450 1.500) 5.931 9.667 ( 2.816 0.808 9.333) 9.782 9.784 ( -1.645 6.944 6.504) 9.655 10.144 ( 0.737 -5.305 0.918) 5.434 10.809 ( 1.526 -11.561 -1.405) 11.746 11.051 ( -7.910 4.789 -3.514) 9.892 11.180 ( -0.360 1.848 -5.145) 5.479 12.446 ( 4.046 -7.133 -12.097) 14.615 13.755 ( 11.978 -14.974 10.680) 21.949 15.250 ( 4.385 -1.827 -5.247) 7.078 15.625 ( 7.526 9.412 4.009) 12.700 16.283 ( 68.616 3.403 8.255) 69.195 17.720 ( -13.876 4.906 0.678) 14.733 17.871 ( 17.376 1.355 -0.144) 17.430 18.865 ( -26.201 16.516 -1.210) 30.995 19.791 ( -48.161 -15.826 -9.157) 51.515 21.265 ( 5.267 -8.995 1.923) 10.600 22.514 ( -3.647 5.061 -1.567) 6.432 ======================= Grid point 335 (170/216) ======================= q-point: ( 0.45 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 2.214 8.113 16.893) 18.871 2.296 ( 1.382 8.461 -2.394) 8.901 2.391 ( -10.924 -4.174 -2.594) 11.978 2.722 ( -9.126 17.550 2.264) 19.910 4.517 ( 2.525 -8.764 -17.286) 19.544 4.653 ( -2.997 -30.176 -14.685) 33.693 5.709 ( -0.913 33.984 -1.633) 34.036 5.892 ( 1.075 7.526 15.267) 17.055 6.095 ( -0.664 1.053 -8.933) 9.019 6.328 ( -8.498 -4.924 2.566) 10.151 6.518 ( 2.715 9.045 1.484) 9.559 6.741 ( -2.960 -4.694 2.804) 6.218 7.061 ( 5.111 3.718 6.113) 8.793 7.473 ( -2.118 5.666 -0.489) 6.069 7.501 ( -4.383 -1.163 -2.672) 5.263 7.807 ( -1.393 18.871 2.768) 19.124 8.163 ( -4.670 -7.317 7.325) 11.358 8.973 ( 2.035 -11.983 -11.781) 16.927 9.492 ( 0.105 -5.437 2.275) 5.895 9.816 ( 5.969 2.256 7.927) 10.176 9.989 ( -5.514 2.806 10.771) 12.422 10.129 ( 2.478 2.451 2.253) 4.150 10.616 ( -1.810 -13.942 -0.234) 14.061 11.061 ( -3.945 6.395 -8.758) 11.540 11.114 ( -1.014 4.089 -6.950) 8.127 12.130 ( 2.772 -10.319 -15.377) 18.725 13.681 ( 8.390 -22.068 12.953) 26.929 15.198 ( 5.760 2.363 -2.604) 6.749 15.802 ( 10.087 6.154 6.018) 13.260 16.412 ( 68.933 -0.925 7.290) 69.323 17.786 ( -8.663 3.397 0.129) 9.307 17.886 ( 15.338 1.761 -0.282) 15.442 19.019 ( -30.780 11.237 -7.080) 33.523 19.463 ( -47.251 -9.600 -9.412) 49.127 21.194 ( 5.070 -7.318 3.685) 9.635 22.554 ( -3.769 5.444 -2.562) 7.100 ======================= Grid point 336 (171/216) ======================= q-point: ( 0.55 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -18.361 -13.457 -6.282) 23.615 2.316 ( 3.118 10.821 13.406) 17.508 2.512 ( 3.554 12.181 0.259) 12.692 2.960 ( -9.181 14.179 1.517) 16.960 3.823 ( 2.155 -49.625 -8.754) 50.438 4.375 ( -5.175 8.989 -22.415) 24.698 5.825 ( 5.766 -3.467 -9.491) 11.634 5.913 ( 1.187 -11.223 -4.467) 12.137 6.186 ( -0.461 19.289 -1.249) 19.335 6.367 ( -6.283 1.683 8.459) 10.670 6.652 ( 4.202 11.120 -0.302) 11.892 6.813 ( -5.975 5.504 1.206) 8.212 7.200 ( 3.766 3.438 3.653) 6.273 7.351 ( -0.475 -7.045 1.185) 7.159 7.657 ( -7.384 14.440 -1.061) 16.252 8.068 ( -2.988 15.028 0.838) 15.345 8.206 ( -3.967 -4.499 9.838) 11.522 8.693 ( 0.006 -8.318 -7.192) 10.996 9.449 ( -0.083 -7.216 3.098) 7.854 9.917 ( 4.934 -0.811 4.202) 6.532 10.063 ( -1.149 -4.553 4.324) 6.383 10.326 ( -0.739 10.978 7.522) 13.329 10.496 ( -3.702 -8.162 7.220) 11.508 10.968 ( -1.828 3.591 -10.382) 11.136 11.134 ( -0.626 11.307 -7.029) 13.328 11.785 ( 0.846 -11.110 -12.548) 16.782 13.505 ( 5.639 -30.244 11.087) 32.702 15.238 ( 6.762 6.349 -0.371) 9.283 15.935 ( 13.910 0.802 5.926) 15.141 16.451 ( 68.251 -4.745 3.694) 68.516 17.791 ( 12.057 0.723 -3.367) 12.539 17.912 ( 2.039 2.055 -0.355) 2.917 18.836 ( -47.874 -6.620 -18.638) 51.799 19.425 ( -39.535 9.196 -0.057) 40.591 21.182 ( 4.773 -4.677 6.423) 9.269 22.586 ( -3.192 5.274 -3.200) 6.946 ======================= Grid point 337 (172/216) ======================= q-point: (-0.36 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -25.298 -11.543 -8.727) 29.144 2.457 ( 4.715 6.662 -7.483) 11.073 2.726 ( 0.765 5.122 1.967) 5.540 3.109 ( 1.521 -35.977 -1.237) 36.031 3.139 ( -8.258 7.766 1.311) 11.411 4.189 ( -5.843 7.050 -20.024) 22.018 5.576 ( 0.413 -6.666 -15.273) 16.670 5.661 ( 2.162 -15.432 -3.110) 15.890 6.351 ( 9.717 6.170 -0.218) 11.513 6.501 ( 4.313 9.021 0.185) 10.001 6.804 ( -3.493 9.614 0.947) 10.272 6.872 ( -8.143 2.459 0.840) 8.548 7.183 ( -2.790 -1.168 -3.763) 4.828 7.352 ( -0.362 -1.825 0.982) 2.104 7.858 ( -6.274 14.301 2.307) 15.786 8.199 ( -2.639 6.540 -1.150) 7.146 8.309 ( -2.123 -0.829 10.400) 10.647 8.598 ( -2.495 0.152 0.097) 2.502 9.370 ( 0.315 -11.830 3.290) 12.283 9.910 ( 2.292 -1.991 -1.748) 3.503 10.020 ( -0.321 -6.642 1.753) 6.877 10.525 ( 1.439 7.392 4.161) 8.604 10.608 ( -2.488 1.073 9.685) 10.056 10.941 ( -2.296 7.242 -1.429) 7.730 11.197 ( -1.755 13.195 -8.833) 15.975 11.549 ( -0.405 -4.232 -3.517) 5.518 13.180 ( 3.391 -39.449 8.553) 40.508 15.342 ( 7.829 9.401 -0.150) 12.235 15.974 ( 19.733 -3.942 2.319) 20.256 16.384 ( 63.852 -8.438 -0.796) 64.413 17.718 ( 22.300 -0.223 -7.626) 23.569 17.907 ( 0.184 -0.182 -2.540) 2.553 18.494 ( -55.836 -6.185 -15.947) 58.397 19.571 ( -42.597 10.377 0.926) 43.852 21.253 ( 4.440 -1.823 9.909) 11.011 22.601 ( -2.184 4.235 -4.005) 6.225 ======================= Grid point 338 (173/216) ======================= q-point: (-0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -32.691 -6.740 -10.890) 35.110 2.328 ( -2.149 -22.989 -17.167) 28.772 2.368 ( 4.044 2.183 -12.918) 13.711 3.064 ( 2.494 1.368 3.682) 4.652 3.256 ( -6.783 4.859 1.868) 8.551 4.008 ( -7.289 3.803 -16.263) 18.223 5.243 ( -3.078 -5.442 -20.057) 21.008 5.476 ( 3.487 -9.586 1.077) 10.257 6.373 ( 20.785 0.213 -1.061) 20.813 6.616 ( 5.185 6.142 1.861) 8.251 6.864 ( -2.894 4.106 -2.676) 5.691 6.964 ( -7.832 3.024 2.902) 8.883 7.123 ( -15.304 0.991 -3.640) 15.762 7.270 ( -1.406 -3.868 -5.379) 6.772 8.066 ( -5.694 8.763 4.420) 11.347 8.288 ( -0.938 4.697 4.265) 6.413 8.477 ( -0.369 5.373 9.231) 10.687 8.610 ( -3.940 -0.712 0.132) 4.006 9.224 ( 0.243 -15.139 1.924) 15.263 9.842 ( 0.804 -0.904 -4.805) 4.955 9.973 ( 3.259 -3.820 2.408) 5.569 10.579 ( 0.470 5.164 -7.363) 9.006 10.784 ( 3.095 1.090 13.964) 14.344 11.097 ( -4.955 8.336 4.803) 10.821 11.204 ( -5.207 2.978 -3.633) 7.013 11.652 ( -0.324 20.947 1.166) 20.982 12.703 ( 1.362 -47.112 5.893) 47.499 15.466 ( 8.535 10.793 -1.922) 13.893 15.877 ( 34.457 -6.284 -7.915) 35.908 16.229 ( 45.405 -9.901 -1.587) 46.499 17.578 ( 25.543 -0.287 -11.612) 28.060 17.847 ( 0.287 -1.507 -3.469) 3.793 18.263 ( -51.336 -2.130 -9.741) 52.295 19.711 ( -50.349 6.623 3.005) 50.871 21.398 ( 4.109 -0.055 12.350) 13.016 22.582 ( -1.102 2.319 -5.168) 5.770 ======================= Grid point 339 (174/216) ======================= q-point: (-0.18 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -39.377 0.000 -11.953) 41.152 1.900 ( -3.283 0.000 -20.513) 20.774 2.186 ( 2.551 -0.000 -14.960) 15.176 3.009 ( 1.996 -0.000 -12.496) 12.654 3.311 ( -5.217 0.000 0.489) 5.239 3.858 ( -8.907 0.000 -7.920) 11.919 4.914 ( -4.750 0.000 -20.886) 21.419 5.450 ( 3.525 -0.000 4.348) 5.597 6.347 ( 25.020 -0.000 -3.342) 25.242 6.709 ( 6.953 -0.000 5.284) 8.733 6.885 ( -0.743 0.000 -12.730) 12.752 6.890 ( -3.647 0.000 1.635) 3.997 7.168 ( -1.659 0.000 -5.099) 5.362 7.189 ( -30.176 0.000 9.387) 31.602 8.190 ( -5.719 0.000 4.512) 7.284 8.417 ( 0.723 -0.000 7.678) 7.712 8.581 ( -4.600 0.000 -1.360) 4.797 8.661 ( 0.514 -0.000 7.566) 7.584 9.094 ( 0.101 -0.000 -0.447) 0.458 9.767 ( -0.177 0.000 -4.101) 4.105 9.997 ( 7.674 -0.000 3.931) 8.622 10.505 ( 1.095 -0.000 -8.457) 8.528 10.982 ( 4.357 -0.000 12.649) 13.379 11.199 ( -7.753 0.000 1.476) 7.892 11.227 ( -3.844 0.000 2.569) 4.624 12.006 ( -1.718 0.000 0.294) 1.743 12.237 ( 0.669 -0.000 5.272) 5.314 15.553 ( 0.416 -0.000 -1.744) 1.793 15.567 ( 54.000 -0.000 -24.274) 59.205 16.163 ( 25.261 -0.000 3.212) 25.465 17.402 ( 31.027 -0.000 -13.483) 33.830 17.798 ( -0.004 0.000 -1.740) 1.740 18.143 ( -42.078 0.000 -6.247) 42.539 19.827 ( -62.266 0.000 7.494) 62.716 21.574 ( 3.952 -0.000 12.402) 13.017 22.518 ( -0.262 0.000 -6.223) 6.229 ======================= Grid point 343 (175/216) ======================= q-point: ( 0.18 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 0.000 26.164 -0.000) 26.164 1.603 ( -0.000 -0.271 0.000) 0.271 1.646 ( 0.000 28.659 -0.000) 28.659 2.839 ( -0.000 -8.040 0.000) 8.040 3.678 ( 0.000 58.760 -0.000) 58.760 4.514 ( 0.000 17.713 -0.000) 17.713 5.097 ( 0.000 0.265 -0.000) 0.265 5.391 ( 0.000 24.538 -0.000) 24.538 6.225 ( 0.000 0.182 -0.000) 0.182 6.505 ( -0.000 -33.440 0.000) 33.440 6.578 ( 0.000 22.977 -0.000) 22.977 6.585 ( -0.000 -7.177 0.000) 7.177 6.942 ( 0.000 1.531 -0.000) 1.531 7.144 ( 0.000 11.139 -0.000) 11.139 7.619 ( -0.000 -23.964 0.000) 23.964 8.024 ( -0.000 -12.455 0.000) 12.455 8.438 ( -0.000 -10.664 0.000) 10.664 9.242 ( 0.000 11.421 -0.000) 11.421 9.501 ( 0.000 10.296 -0.000) 10.296 9.763 ( -0.000 -9.425 0.000) 9.425 9.920 ( -0.000 -14.011 0.000) 14.011 10.303 ( -0.000 -6.719 0.000) 6.719 10.803 ( 0.000 6.030 -0.000) 6.030 11.175 ( 0.000 1.064 -0.000) 1.064 11.208 ( -0.000 -11.345 0.000) 11.345 12.639 ( 0.000 1.919 -0.000) 1.919 14.055 ( -0.000 -5.738 0.000) 5.738 15.376 ( 0.000 8.738 -0.000) 8.738 15.443 ( -0.000 -5.420 0.000) 5.420 16.648 ( 0.000 8.789 -0.000) 8.789 17.571 ( -0.000 -4.377 0.000) 4.377 17.919 ( 0.000 4.600 -0.000) 4.600 18.238 ( 0.000 13.964 -0.000) 13.964 19.778 ( -0.000 -7.979 0.000) 7.979 21.543 ( -0.000 -9.666 0.000) 9.666 22.396 ( 0.000 3.077 -0.000) 3.077 ======================= Grid point 344 (176/216) ======================= q-point: ( 0.27 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 0.000 1.810 7.637) 7.848 1.782 ( 0.000 23.262 4.217) 23.641 2.014 ( 0.000 26.171 0.329) 26.173 2.706 ( -0.000 -12.112 -0.265) 12.115 4.457 ( 0.000 52.866 4.340) 53.044 4.548 ( -0.000 14.142 -23.085) 27.072 5.293 ( 0.000 10.559 17.629) 20.549 5.766 ( 0.000 22.602 4.442) 23.034 5.962 ( -0.000 -40.417 -5.574) 40.800 6.269 ( 0.000 2.408 1.751) 2.977 6.488 ( -0.000 -7.294 0.235) 7.297 6.889 ( 0.000 22.334 0.009) 22.334 6.981 ( 0.000 1.841 2.651) 3.227 7.272 ( -0.000 -26.288 -0.660) 26.296 7.323 ( 0.000 14.426 1.466) 14.500 7.849 ( -0.000 -12.891 -0.919) 12.924 8.312 ( -0.000 -10.788 2.968) 11.189 9.316 ( -0.000 5.759 -9.545) 11.148 9.621 ( 0.000 0.894 0.093) 0.898 9.685 ( 0.000 0.243 4.553) 4.559 9.781 ( 0.000 -10.745 7.672) 13.203 10.218 ( -0.000 -6.285 -0.044) 6.285 10.873 ( 0.000 7.548 -2.763) 8.038 11.028 ( -0.000 -13.678 -1.845) 13.802 11.160 ( -0.000 1.043 -4.498) 4.618 12.536 ( -0.000 -2.024 -13.358) 13.510 14.030 ( 0.000 -11.539 11.056) 15.981 15.310 ( -0.000 -1.902 -8.130) 8.349 15.544 ( 0.000 9.160 6.493) 11.228 16.873 ( 0.000 8.207 12.843) 15.241 17.514 ( -0.000 -4.664 0.684) 4.714 17.977 ( 0.000 4.827 -0.711) 4.879 18.423 ( 0.000 15.556 -1.739) 15.652 19.557 ( -0.000 -9.598 -13.423) 16.501 21.427 ( -0.000 -9.823 1.928) 10.011 22.432 ( 0.000 3.884 -1.388) 4.124 ======================= Grid point 345 (177/216) ======================= q-point: ( 0.36 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 0.000 6.217 14.808) 16.060 2.118 ( 0.000 18.670 3.542) 19.003 2.325 ( 0.000 17.140 -0.990) 17.168 2.524 ( -0.000 -10.034 -0.718) 10.059 4.378 ( -0.000 11.938 -24.441) 27.200 5.158 ( 0.000 42.596 2.973) 42.700 5.282 ( -0.000 -44.522 -9.025) 45.427 5.726 ( 0.000 15.103 17.581) 23.177 6.020 ( 0.000 10.960 -3.739) 11.580 6.327 ( 0.000 0.047 2.249) 2.250 6.443 ( 0.000 0.259 2.838) 2.850 6.911 ( -0.000 -20.097 -0.566) 20.105 7.068 ( 0.000 2.570 5.750) 6.298 7.182 ( 0.000 17.639 -0.725) 17.654 7.564 ( 0.000 16.920 3.003) 17.184 7.660 ( -0.000 -12.628 -1.728) 12.745 8.246 ( 0.000 -9.226 6.726) 11.418 9.118 ( -0.000 -6.974 -14.296) 15.906 9.571 ( -0.000 -6.037 2.171) 6.415 9.854 ( 0.000 7.071 7.908) 10.608 9.870 ( 0.000 0.394 11.838) 11.845 10.144 ( -0.000 -3.256 -0.702) 3.331 10.808 ( -0.000 -14.703 -2.178) 14.864 10.922 ( -0.000 7.794 -5.400) 9.482 11.082 ( -0.000 0.967 -7.895) 7.954 12.261 ( -0.000 -5.873 -17.459) 18.420 14.013 ( 0.000 -17.256 12.940) 21.569 15.210 ( -0.000 2.180 -6.080) 6.459 15.785 ( 0.000 6.509 12.388) 13.994 17.159 ( 0.000 4.884 14.474) 15.276 17.469 ( -0.000 -4.486 1.615) 4.768 18.024 ( 0.000 4.559 -1.679) 4.858 18.581 ( -0.000 14.766 -6.302) 16.054 19.198 ( -0.000 -8.648 -18.596) 20.508 21.337 ( -0.000 -8.892 3.191) 9.447 22.463 ( -0.000 4.673 -2.187) 5.159 ======================= Grid point 346 (178/216) ======================= q-point: ( 0.45 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( -0.000 -16.724 -5.657) 17.655 2.195 ( 0.000 10.239 13.854) 17.227 2.368 ( 0.000 13.473 2.505) 13.704 2.670 ( 0.000 17.714 1.541) 17.781 4.205 ( -0.000 10.643 -22.187) 24.608 4.504 ( -0.000 -49.422 -10.380) 50.501 5.695 ( 0.000 32.156 -0.244) 32.157 5.943 ( -0.000 -3.528 -10.906) 11.463 6.137 ( 0.000 13.267 13.739) 19.099 6.259 ( -0.000 -12.799 0.007) 12.799 6.561 ( 0.000 10.101 0.567) 10.117 6.750 ( 0.000 -5.455 2.627) 6.055 7.198 ( 0.000 2.767 6.557) 7.117 7.387 ( 0.000 16.436 -1.834) 16.538 7.477 ( -0.000 -11.034 -1.436) 11.127 7.835 ( 0.000 16.735 2.902) 16.985 8.255 ( 0.000 -6.524 9.485) 11.512 8.817 ( -0.000 -9.256 -11.491) 14.755 9.535 ( 0.000 -6.044 3.958) 7.225 10.001 ( 0.000 -2.260 4.013) 4.606 10.044 ( 0.000 1.461 9.195) 9.310 10.183 ( 0.000 9.329 4.281) 10.265 10.611 ( -0.000 -12.034 1.387) 12.114 10.896 ( -0.000 4.941 -10.870) 11.940 11.022 ( -0.000 5.057 -4.855) 7.010 11.929 ( -0.000 -8.706 -15.395) 17.686 13.913 ( 0.000 -23.620 11.285) 26.177 15.201 ( -0.000 6.279 -3.524) 7.200 16.027 ( 0.000 -0.176 15.385) 15.386 17.370 ( 0.000 -0.240 10.439) 10.442 17.442 ( 0.000 -3.945 2.546) 4.695 18.050 ( -0.000 3.928 -2.642) 4.734 18.503 ( -0.000 -0.495 -22.712) 22.717 18.967 ( -0.000 6.958 -8.196) 10.752 21.290 ( 0.000 -6.512 5.118) 8.283 22.495 ( -0.000 5.191 -2.602) 5.807 ======================= Grid point 347 (179/216) ======================= q-point: (-0.45 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -0.000 -18.116 -8.416) 19.975 2.395 ( -0.000 8.005 -3.890) 8.900 2.606 ( 0.000 11.450 6.281) 13.059 2.910 ( 0.000 14.383 2.086) 14.533 3.717 ( -0.000 -48.646 -7.460) 49.215 4.044 ( -0.000 8.590 -19.513) 21.320 5.681 ( -0.000 -8.480 -14.685) 16.958 5.876 ( -0.000 -7.486 -2.757) 7.977 6.204 ( 0.000 12.038 1.994) 12.202 6.444 ( 0.000 9.393 8.523) 12.684 6.677 ( 0.000 10.474 -3.559) 11.062 6.753 ( 0.000 -0.313 0.790) 0.850 7.227 ( -0.000 -4.858 -2.667) 5.542 7.387 ( 0.000 -3.619 2.815) 4.585 7.598 ( 0.000 16.899 1.148) 16.938 8.051 ( 0.000 12.119 -0.065) 12.119 8.325 ( 0.000 -3.542 9.976) 10.586 8.615 ( -0.000 -4.320 -2.883) 5.194 9.509 ( 0.000 -8.474 5.498) 10.102 9.963 ( -0.000 -3.562 -1.868) 4.022 10.097 ( -0.000 -5.099 2.016) 5.483 10.399 ( 0.000 11.021 2.656) 11.337 10.599 ( 0.000 -2.166 10.931) 11.143 10.827 ( -0.000 7.096 -7.765) 10.519 11.050 ( -0.000 7.710 -4.143) 8.753 11.643 ( -0.000 -8.272 -8.001) 11.509 13.693 ( -0.000 -32.136 10.045) 33.670 15.268 ( 0.000 9.683 -2.465) 9.992 16.179 ( 0.000 -7.871 13.615) 15.726 17.388 ( -0.000 -8.007 -2.852) 8.500 17.436 ( 0.000 -3.113 3.338) 4.564 18.054 ( -0.000 3.036 -3.452) 4.597 18.116 ( -0.000 -5.204 -20.500) 21.151 19.032 ( -0.000 14.001 -6.337) 15.368 21.317 ( 0.000 -3.200 8.260) 8.858 22.524 ( -0.000 5.044 -3.245) 5.998 ======================= Grid point 348 (180/216) ======================= q-point: (-0.36 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -0.000 -16.409 -11.337) 19.945 2.356 ( -0.000 3.720 -11.619) 12.200 2.599 ( -0.000 -12.236 -16.601) 20.623 3.106 ( 0.000 9.841 2.906) 10.261 3.172 ( -0.000 -21.408 4.116) 21.800 3.892 ( -0.000 5.877 -16.066) 17.107 5.327 ( -0.000 -9.902 -18.378) 20.876 5.674 ( -0.000 -15.224 0.614) 15.236 6.450 ( 0.000 14.882 4.152) 15.450 6.615 ( 0.000 4.799 2.422) 5.376 6.751 ( -0.000 9.473 -4.311) 10.408 6.756 ( 0.000 0.385 0.689) 0.790 7.092 ( -0.000 -5.409 -5.501) 7.715 7.325 ( -0.000 -4.955 -4.724) 6.846 7.856 ( 0.000 15.803 3.762) 16.245 8.186 ( 0.000 8.861 1.741) 9.030 8.434 ( 0.000 0.650 8.698) 8.722 8.600 ( 0.000 -1.403 3.024) 3.334 9.437 ( -0.000 -14.894 5.478) 15.870 9.873 ( -0.000 -2.913 -4.473) 5.338 10.045 ( 0.000 -4.517 2.183) 5.017 10.481 ( -0.000 9.187 -8.952) 12.827 10.787 ( 0.000 1.987 14.049) 14.189 10.906 ( 0.000 12.149 -0.929) 12.185 11.105 ( 0.000 6.426 -1.511) 6.601 11.536 ( 0.000 -0.064 1.576) 1.577 13.334 ( -0.000 -43.336 9.928) 44.458 15.374 ( 0.000 11.583 -3.179) 12.011 16.184 ( 0.000 -11.925 5.810) 13.265 17.049 ( -0.000 -14.972 -20.666) 25.519 17.452 ( 0.000 -2.085 3.896) 4.419 17.890 ( -0.000 -2.916 -5.947) 6.623 18.035 ( -0.000 1.989 -4.014) 4.480 19.128 ( -0.000 13.141 -6.192) 14.527 21.430 ( 0.000 -0.428 11.127) 11.135 22.532 ( -0.000 3.962 -4.409) 5.927 ======================= Grid point 349 (181/216) ======================= q-point: (-0.27 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -0.000 -11.361 -14.321) 18.281 2.038 ( -0.000 -21.557 -21.701) 30.588 2.197 ( -0.000 1.232 -15.426) 15.475 3.036 ( -0.000 -2.898 -10.187) 10.591 3.240 ( 0.000 4.845 1.493) 5.070 3.772 ( -0.000 3.181 -8.763) 9.322 4.934 ( -0.000 -7.787 -20.454) 21.886 5.540 ( 0.000 -9.362 4.241) 10.277 6.637 ( -0.000 3.858 -8.187) 9.051 6.698 ( 0.000 9.658 8.307) 12.739 6.808 ( 0.000 5.259 -2.025) 5.635 6.814 ( 0.000 2.225 5.810) 6.222 6.933 ( -0.000 -5.380 -6.325) 8.304 7.179 ( -0.000 -3.236 -6.365) 7.141 8.086 ( 0.000 9.369 4.292) 10.305 8.350 ( 0.000 8.564 4.816) 9.825 8.589 ( 0.000 6.840 6.505) 9.439 8.598 ( 0.000 -5.202 2.346) 5.707 9.259 ( -0.000 -19.386 2.488) 19.545 9.779 ( -0.000 -2.008 -3.714) 4.222 10.061 ( 0.000 -0.778 4.787) 4.850 10.458 ( -0.000 8.117 -10.116) 12.970 11.006 ( 0.000 1.726 13.338) 13.449 11.061 ( 0.000 10.583 0.634) 10.602 11.172 ( 0.000 3.681 0.608) 3.731 11.686 ( 0.000 16.686 4.057) 17.172 12.815 ( -0.000 -53.894 8.629) 54.580 15.472 ( -0.000 11.267 -5.096) 12.366 16.006 ( -0.000 -9.288 -13.251) 16.182 16.569 ( -0.000 -14.886 -14.113) 20.513 17.488 ( 0.000 -0.983 4.162) 4.276 17.812 ( -0.000 -2.027 -1.675) 2.629 17.997 ( -0.000 0.915 -4.269) 4.366 19.198 ( -0.000 8.179 -4.480) 9.326 21.597 ( 0.000 0.723 11.990) 12.012 22.502 ( -0.000 2.064 -5.748) 6.107 ======================= Grid point 350 (182/216) ======================= q-point: (-0.18 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -0.000 -0.000 -16.315) 16.315 1.557 ( -0.000 -0.000 -24.661) 24.661 1.976 ( -0.000 -0.000 -17.488) 17.488 2.763 ( -0.000 -0.000 -24.506) 24.506 3.247 ( -0.000 -0.000 -4.964) 4.964 3.769 ( 0.000 0.000 5.412) 5.412 4.593 ( -0.000 -0.000 -19.681) 19.681 5.551 ( 0.000 0.000 6.419) 6.419 6.451 ( -0.000 -0.000 -21.294) 21.294 6.825 ( -0.000 -0.000 -1.448) 1.448 6.844 ( -0.000 -0.000 -0.092) 0.092 6.913 ( 0.000 0.000 12.016) 12.016 6.968 ( 0.000 0.000 11.948) 11.948 7.079 ( -0.000 -0.000 -5.360) 5.360 8.205 ( 0.000 0.000 3.647) 3.647 8.531 ( -0.000 -0.000 -1.010) 1.010 8.535 ( 0.000 0.000 7.856) 7.856 8.748 ( 0.000 0.000 4.233) 4.233 9.085 ( -0.000 -0.000 -1.111) 1.111 9.739 ( 0.000 0.000 0.540) 0.540 10.133 ( 0.000 0.000 5.442) 5.442 10.392 ( -0.000 -0.000 -9.030) 9.030 11.178 ( -0.000 -0.000 -4.560) 4.560 11.185 ( 0.000 0.000 5.525) 5.525 11.190 ( 0.000 0.000 11.292) 11.292 12.026 ( 0.000 0.000 3.953) 3.953 12.318 ( 0.000 0.000 5.391) 5.391 15.511 ( -0.000 -0.000 -4.565) 4.565 15.562 ( -0.000 -0.000 -34.291) 34.291 16.377 ( 0.000 0.000 0.242) 0.242 17.539 ( 0.000 0.000 4.090) 4.090 17.786 ( -0.000 -0.000 -0.024) 0.024 17.944 ( -0.000 -0.000 -4.173) 4.173 19.208 ( -0.000 -0.000 -2.113) 2.113 21.760 ( 0.000 0.000 10.077) 10.077 22.431 ( -0.000 -0.000 -6.150) 6.150 ======================= Grid point 404 (183/216) ======================= q-point: (-0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 15.669 -0.000 -0.000) 15.669 2.140 ( 17.008 -0.000 -0.000) 17.008 2.406 ( 12.378 -0.000 -0.000) 12.378 3.514 ( -2.084 0.000 0.000) 2.084 3.867 ( -4.596 0.000 0.000) 4.596 5.157 ( 8.016 -0.000 -0.000) 8.016 5.444 ( -2.055 0.000 0.000) 2.055 5.530 ( 22.091 -0.000 -0.000) 22.091 6.113 ( 10.750 -0.000 -0.000) 10.750 6.315 ( 3.818 -0.000 -0.000) 3.818 6.524 ( -2.339 0.000 0.000) 2.339 7.209 ( 5.474 -0.000 -0.000) 5.474 7.532 ( -24.881 0.000 0.000) 24.881 7.578 ( -1.883 0.000 0.000) 1.883 8.488 ( -10.539 0.000 0.000) 10.539 8.509 ( -4.839 0.000 0.000) 4.839 8.929 ( -19.492 0.000 0.000) 19.492 9.044 ( -0.174 0.000 0.000) 0.174 9.251 ( 3.631 -0.000 -0.000) 3.631 9.815 ( -3.904 0.000 0.000) 3.904 9.909 ( 8.383 -0.000 -0.000) 8.383 10.002 ( 3.437 -0.000 -0.000) 3.437 10.225 ( -7.194 0.000 0.000) 7.194 11.436 ( -1.405 0.000 0.000) 1.405 11.437 ( 10.273 -0.000 -0.000) 10.273 12.179 ( -4.372 0.000 0.000) 4.372 12.235 ( -4.013 0.000 0.000) 4.013 12.310 ( 38.411 -0.000 -0.000) 38.411 15.162 ( -2.238 0.000 0.000) 2.238 15.834 ( 5.246 -0.000 -0.000) 5.246 16.160 ( 11.866 -0.000 -0.000) 11.866 17.993 ( 3.289 -0.000 -0.000) 3.289 20.152 ( 22.410 -0.000 -0.000) 22.410 20.775 ( -15.420 0.000 0.000) 15.420 21.677 ( -27.284 0.000 0.000) 27.284 23.530 ( -11.516 0.000 0.000) 11.516 ======================= Grid point 414 (184/216) ======================= q-point: (-0.36 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 13.866 1.906 -0.000) 13.997 2.512 ( 12.252 -7.426 0.000) 14.327 2.576 ( 11.636 -16.098 0.000) 19.863 3.339 ( -19.414 2.450 0.000) 19.568 3.691 ( -13.947 5.462 -0.000) 14.978 5.237 ( 2.748 -0.164 -0.000) 2.753 5.490 ( -0.166 -8.138 0.000) 8.140 5.817 ( 15.313 -2.406 -0.000) 15.501 6.237 ( 7.525 0.728 -0.000) 7.560 6.392 ( 9.366 1.966 -0.000) 9.570 6.563 ( 2.959 -5.318 0.000) 6.086 7.163 ( -14.758 8.151 -0.000) 16.859 7.252 ( -0.884 5.062 -0.000) 5.139 7.497 ( -4.043 6.064 -0.000) 7.288 8.295 ( -11.446 4.451 -0.000) 12.281 8.468 ( -3.952 -3.878 0.000) 5.537 8.641 ( -19.492 2.065 0.000) 19.601 8.908 ( -4.213 15.875 -0.000) 16.425 9.312 ( 2.871 -1.885 0.000) 3.435 9.686 ( 5.004 7.908 -0.000) 9.359 9.883 ( 1.054 2.362 -0.000) 2.586 10.101 ( -6.669 4.077 -0.000) 7.817 10.296 ( -1.256 -19.460 0.000) 19.501 11.399 ( -1.094 2.108 -0.000) 2.375 11.609 ( 7.403 -7.479 0.000) 10.523 11.873 ( -4.462 19.091 -0.000) 19.606 12.440 ( -1.493 -20.285 0.000) 20.340 13.053 ( 65.089 -0.286 -0.000) 65.089 15.134 ( -1.604 -0.361 0.000) 1.644 15.887 ( 4.954 2.705 -0.000) 5.645 16.484 ( 22.123 -10.322 0.000) 24.413 18.033 ( 3.080 0.922 -0.000) 3.215 20.447 ( 18.237 -1.810 -0.000) 18.327 20.521 ( -17.296 4.534 0.000) 17.881 21.248 ( -38.251 -4.241 0.000) 38.485 23.307 ( -14.347 5.053 0.000) 15.211 ======================= Grid point 415 (185/216) ======================= q-point: (-0.27 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 12.713 -0.000 19.235) 23.057 2.351 ( 12.198 -0.000 0.449) 12.206 2.548 ( 11.291 -0.000 -3.795) 11.912 3.349 ( -20.334 0.000 -0.996) 20.359 3.738 ( -13.884 0.000 1.416) 13.956 5.198 ( 1.951 -0.000 -5.399) 5.741 5.412 ( 0.707 -0.000 -3.054) 3.135 5.788 ( 15.231 -0.000 -1.727) 15.329 6.089 ( 10.050 -0.000 -14.705) 17.811 6.501 ( 2.353 -0.000 -2.695) 3.578 6.554 ( 7.471 -0.000 13.073) 15.057 7.249 ( 3.597 -0.000 -4.332) 5.631 7.271 ( -17.410 0.000 6.805) 18.693 7.522 ( -2.985 0.000 -2.349) 3.798 8.324 ( -11.968 0.000 -0.161) 11.969 8.440 ( -5.398 0.000 -0.081) 5.399 8.664 ( -19.170 0.000 1.148) 19.205 9.002 ( -4.414 0.000 -1.378) 4.624 9.288 ( 2.955 -0.000 -1.692) 3.405 9.706 ( -3.590 0.000 -4.933) 6.101 9.960 ( 2.463 -0.000 -2.847) 3.765 10.055 ( 4.883 -0.000 2.888) 5.673 10.309 ( -5.017 0.000 18.053) 18.737 11.372 ( -1.651 0.000 -6.125) 6.344 11.564 ( 5.156 -0.000 1.183) 5.290 12.117 ( -3.470 0.000 -0.529) 3.510 12.179 ( -3.362 0.000 -0.568) 3.410 13.050 ( 65.480 -0.000 -0.280) 65.480 15.167 ( -1.718 0.000 4.897) 5.190 15.839 ( 6.910 -0.000 -8.857) 11.234 16.459 ( 22.466 -0.000 5.839) 23.212 18.023 ( 3.034 -0.000 -2.196) 3.745 20.455 ( 18.046 -0.000 2.949) 18.285 20.567 ( -17.981 0.000 2.002) 18.092 21.208 ( -37.954 0.000 -1.519) 37.984 23.302 ( -14.251 0.000 -5.458) 15.260 ======================= Grid point 424 (186/216) ======================= q-point: (-0.45 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 10.847 4.347 -0.000) 11.685 2.571 ( 8.188 10.337 -0.000) 13.186 2.968 ( -27.950 0.060 0.000) 27.950 3.201 ( 9.189 -43.870 0.000) 44.822 3.379 ( -14.823 10.135 -0.000) 17.957 5.239 ( -1.554 0.516 0.000) 1.637 5.617 ( 0.715 -8.870 0.000) 8.899 5.998 ( 7.801 -0.940 -0.000) 7.857 6.292 ( -0.476 -0.715 0.000) 0.859 6.509 ( 8.493 2.773 -0.000) 8.935 6.700 ( 7.571 -1.711 -0.000) 7.762 6.836 ( -10.448 11.128 -0.000) 15.264 7.122 ( -0.285 14.974 -0.000) 14.977 7.331 ( -4.460 6.354 -0.000) 7.764 8.078 ( -9.057 6.528 -0.000) 11.165 8.347 ( -18.302 1.779 0.000) 18.388 8.413 ( -6.280 12.130 -0.000) 13.659 8.690 ( 2.932 1.651 -0.000) 3.365 9.371 ( 1.147 -2.546 0.000) 2.793 9.724 ( 1.641 -3.713 0.000) 4.059 9.907 ( 5.286 0.307 -0.000) 5.295 9.945 ( -4.651 6.902 -0.000) 8.323 10.444 ( -6.504 -12.564 0.000) 14.148 11.351 ( -1.258 2.588 -0.000) 2.877 11.596 ( -4.087 13.718 -0.000) 14.314 11.848 ( 7.052 -13.169 0.000) 14.938 12.715 ( 2.972 -20.067 0.000) 20.286 14.061 ( 79.180 1.985 -0.000) 79.205 15.133 ( -0.736 -1.958 0.000) 2.092 15.899 ( 4.306 5.172 -0.000) 6.730 16.981 ( 27.771 -10.233 -0.000) 29.596 18.047 ( 1.888 2.625 -0.000) 3.233 20.159 ( -21.699 9.468 -0.000) 23.675 20.689 ( -11.972 -8.033 0.000) 14.418 20.749 ( -22.726 -5.008 0.000) 23.271 23.028 ( -13.784 6.478 -0.000) 15.231 ======================= Grid point 425 (187/216) ======================= q-point: (-0.36 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 11.073 3.356 16.236) 19.937 2.642 ( 7.585 2.591 -3.530) 8.758 2.693 ( 6.009 -25.387 -1.300) 26.120 2.977 ( -27.806 0.672 -1.773) 27.870 3.496 ( -14.620 5.307 1.694) 15.646 5.180 ( -2.538 1.594 -9.179) 9.655 5.492 ( 2.329 -7.867 -1.785) 8.397 5.953 ( 6.958 -1.371 -3.548) 7.930 6.226 ( 8.113 -0.002 -9.133) 12.216 6.561 ( 7.712 2.460 0.003) 8.094 6.674 ( 6.197 -1.884 4.095) 7.663 7.038 ( -8.165 6.467 9.781) 14.289 7.249 ( 0.814 5.782 -3.850) 6.994 7.417 ( -4.693 7.410 -1.264) 8.862 8.139 ( -11.130 2.571 0.543) 11.436 8.379 ( -16.467 1.235 0.546) 16.522 8.409 ( -6.092 -3.488 -0.264) 7.025 8.838 ( -4.687 12.688 -1.067) 13.568 9.334 ( 1.155 -2.196 -2.111) 3.258 9.678 ( -0.619 -1.168 -1.149) 1.751 9.889 ( 3.496 5.032 -0.505) 6.148 10.166 ( -6.213 -2.484 13.843) 15.375 10.294 ( -0.256 -6.939 4.356) 8.197 11.337 ( -1.551 1.751 -6.268) 6.691 11.675 ( 3.907 -7.539 -3.020) 9.012 11.803 ( -3.482 19.811 -1.927) 20.207 12.440 ( -0.471 -24.738 2.297) 24.849 14.074 ( 80.130 1.062 -1.081) 80.144 15.151 ( -1.023 -0.898 5.311) 5.482 15.913 ( 5.928 2.539 -5.451) 8.444 16.892 ( 31.770 -5.623 2.314) 32.346 18.056 ( 2.382 1.048 -2.271) 3.454 20.252 ( -23.793 4.337 -1.049) 24.207 20.611 ( -37.845 -4.359 1.870) 38.141 20.712 ( 3.998 -1.352 0.986) 4.334 23.069 ( -14.621 3.526 -3.642) 15.475 ======================= Grid point 426 (188/216) ======================= q-point: (-0.27 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 8.644 -0.000 23.869) 25.386 2.476 ( 6.777 -0.000 -1.942) 7.050 2.610 ( 6.417 -0.000 -5.432) 8.408 2.946 ( -30.853 0.000 -3.483) 31.049 3.556 ( -14.523 0.000 1.814) 14.636 5.035 ( -5.892 0.000 -13.934) 15.128 5.387 ( 3.255 -0.000 -4.338) 5.424 5.871 ( 4.840 -0.000 -6.973) 8.489 6.084 ( 14.133 -0.000 -9.906) 17.259 6.530 ( 8.753 -0.000 -4.344) 9.772 6.774 ( 2.235 -0.000 8.772) 9.052 7.180 ( -0.544 0.000 -8.024) 8.042 7.257 ( -7.266 0.000 13.793) 15.590 7.448 ( -2.142 0.000 -3.025) 3.707 8.165 ( -11.076 0.000 1.070) 11.128 8.355 ( -6.052 0.000 -0.504) 6.073 8.442 ( -16.299 0.000 3.197) 16.610 8.893 ( -6.401 0.000 -2.944) 7.045 9.255 ( -0.396 0.000 -5.352) 5.367 9.694 ( 3.043 -0.000 4.158) 5.152 9.924 ( -1.108 0.000 -2.633) 2.857 10.196 ( 3.005 -0.000 8.511) 9.027 10.501 ( -3.882 0.000 17.647) 18.069 11.231 ( -2.030 0.000 -9.810) 10.018 11.578 ( -1.016 0.000 -3.648) 3.787 12.084 ( -1.718 0.000 0.921) 1.949 12.131 ( -2.298 0.000 -0.486) 2.348 14.057 ( 79.675 -0.000 -2.498) 79.714 15.245 ( -0.775 -0.000 8.567) 8.602 15.825 ( 9.759 -0.000 -8.999) 13.275 16.893 ( 29.700 -0.000 3.010) 29.852 18.015 ( 2.302 -0.000 -4.320) 4.895 20.219 ( -33.030 0.000 -7.323) 33.832 20.643 ( -37.757 0.000 6.039) 38.237 20.746 ( 10.768 -0.000 5.243) 11.977 23.021 ( -12.827 0.000 -6.589) 14.420 ======================= Grid point 434 (189/216) ======================= q-point: ( 0.45 -0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 6.843 5.760 -0.000) 8.944 2.481 ( -2.788 8.050 -0.000) 8.519 2.627 ( -17.153 1.846 0.000) 17.252 3.031 ( -11.208 14.692 -0.000) 18.479 3.947 ( 7.487 -49.829 0.000) 50.389 5.195 ( -2.768 1.089 -0.000) 2.974 5.677 ( -0.347 4.461 -0.000) 4.474 6.069 ( 5.952 7.120 -0.000) 9.280 6.240 ( -11.823 -8.217 0.000) 14.398 6.381 ( -7.175 15.737 -0.000) 17.295 6.643 ( 1.505 8.415 -0.000) 8.549 6.835 ( 10.862 0.008 -0.000) 10.862 6.864 ( -2.516 19.616 -0.000) 19.777 7.326 ( 2.361 -7.332 0.000) 7.703 7.845 ( -8.235 11.950 -0.000) 14.513 8.073 ( -3.397 22.651 -0.000) 22.904 8.120 ( -13.896 -3.076 0.000) 14.232 8.883 ( 6.190 -14.932 0.000) 16.165 9.413 ( -0.176 -3.318 0.000) 3.323 9.781 ( -2.193 -4.773 0.000) 5.253 9.800 ( -1.892 8.033 -0.000) 8.253 10.010 ( 8.561 0.299 -0.000) 8.566 10.501 ( -6.997 -12.536 0.000) 14.357 11.298 ( -1.097 2.856 -0.000) 3.060 11.379 ( -5.095 10.174 -0.000) 11.379 12.136 ( 6.355 -15.143 0.000) 16.422 13.056 ( 7.036 -20.673 0.000) 21.837 15.155 ( 82.066 4.986 -0.000) 82.218 15.164 ( -0.004 -3.507 0.000) 3.507 15.878 ( 5.180 6.780 -0.000) 8.532 17.486 ( 28.999 -5.024 -0.000) 29.431 17.996 ( -2.838 5.185 -0.000) 5.911 19.666 ( -26.712 13.583 -0.000) 29.968 20.145 ( -55.798 -14.855 0.000) 57.741 20.947 ( 10.289 -5.471 0.000) 11.653 22.774 ( -10.201 6.090 -0.000) 11.880 ======================= Grid point 435 (190/216) ======================= q-point: ( 0.55 -0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 7.921 6.450 14.013) 17.341 2.457 ( -27.437 -3.414 -2.557) 27.767 2.721 ( 2.892 10.323 -3.560) 11.296 3.212 ( -10.688 10.280 1.720) 14.929 3.291 ( 5.393 -44.859 -2.144) 45.233 5.102 ( -3.678 3.187 -14.154) 14.967 5.660 ( 3.857 -10.075 0.794) 10.818 6.037 ( 2.880 -1.800 -4.989) 6.035 6.248 ( -4.630 2.124 3.262) 6.049 6.563 ( 2.662 12.338 -3.722) 13.159 6.716 ( 3.692 6.801 -2.501) 8.133 6.932 ( 3.655 5.412 7.301) 9.796 7.121 ( 0.174 13.801 1.570) 13.891 7.272 ( -2.625 0.720 -0.140) 2.725 7.957 ( -7.574 6.217 -0.709) 9.824 8.116 ( -15.693 0.290 2.076) 15.833 8.327 ( -5.555 11.690 -0.459) 12.951 8.717 ( 1.968 -4.085 -2.138) 5.013 9.373 ( -0.384 -2.994 -1.188) 3.244 9.710 ( 0.758 -2.730 1.357) 3.142 9.910 ( 1.753 0.468 2.005) 2.704 10.099 ( -0.072 1.318 13.004) 13.071 10.358 ( -5.421 -8.176 0.708) 9.836 11.288 ( -1.398 2.474 -6.482) 7.078 11.519 ( -2.972 15.539 -3.394) 16.180 11.883 ( 3.692 -14.301 -6.524) 16.146 12.794 ( 2.843 -26.153 5.614) 26.899 15.110 ( 28.202 2.205 -1.795) 28.345 15.253 ( 54.999 -1.061 5.586) 55.292 15.941 ( 5.644 4.530 -2.150) 7.549 17.428 ( 34.384 -3.715 -0.095) 34.584 18.044 ( -0.875 3.542 -1.774) 4.057 19.781 ( -35.048 4.379 -5.981) 35.824 19.993 ( -50.331 -5.064 3.001) 50.674 20.901 ( 9.976 -3.578 2.089) 10.802 22.830 ( -11.115 4.694 -2.156) 12.257 ======================= Grid point 436 (191/216) ======================= q-point: (-0.36 -0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 5.360 3.837 19.226) 20.325 2.384 ( -31.921 -0.793 -1.273) 31.956 2.735 ( 6.122 -14.570 -4.470) 16.424 2.770 ( 2.985 -8.302 -6.116) 10.735 3.342 ( -11.054 5.223 1.708) 12.344 4.923 ( -5.985 3.505 -18.056) 19.342 5.500 ( 3.560 -9.031 -3.080) 10.184 5.916 ( 1.017 -1.619 -9.107) 9.305 6.264 ( 10.380 0.565 -3.875) 11.094 6.643 ( 7.680 5.222 -3.623) 9.969 6.771 ( 0.858 2.191 4.597) 5.164 7.082 ( -3.137 7.548 -2.142) 8.450 7.220 ( -1.893 -1.497 5.984) 6.452 7.356 ( -1.817 8.486 -1.221) 8.764 8.015 ( -8.750 1.657 2.103) 9.150 8.188 ( -13.949 3.279 4.824) 15.119 8.326 ( -4.005 -3.271 -2.073) 5.571 8.746 ( -4.666 7.840 -2.624) 9.493 9.279 ( -0.913 -4.736 -4.310) 6.468 9.751 ( 4.336 -0.592 6.386) 7.741 9.909 ( -1.018 -2.645 0.724) 2.925 10.246 ( -3.732 -5.436 10.310) 12.238 10.431 ( -0.525 5.351 13.117) 14.176 11.195 ( -1.720 1.536 -10.156) 10.414 11.618 ( -0.271 -7.515 -8.530) 11.371 11.731 ( -2.047 22.883 -2.698) 23.132 12.489 ( 0.344 -31.187 4.465) 31.507 15.153 ( 52.465 5.610 -1.211) 52.778 15.292 ( 31.343 -4.740 6.628) 32.385 15.935 ( 8.055 1.616 -4.375) 9.308 17.382 ( 36.017 -2.086 -1.046) 36.092 18.035 ( 1.023 1.297 -4.252) 4.562 19.628 ( -52.578 -2.863 -11.938) 53.992 20.090 ( -37.311 3.192 7.091) 38.112 20.915 ( 9.572 -1.627 5.047) 10.943 22.837 ( -10.188 2.619 -3.861) 11.205 ======================= Grid point 437 (192/216) ======================= q-point: (-0.27 -0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( -31.477 0.000 -4.494) 31.796 2.479 ( 2.169 -0.000 -6.630) 6.976 2.550 ( -1.951 0.000 9.517) 9.715 2.721 ( 7.698 -0.000 2.642) 8.139 3.395 ( -11.409 0.000 0.980) 11.451 4.687 ( -8.836 0.000 -19.649) 21.544 5.386 ( 4.386 -0.000 -3.513) 5.619 5.745 ( -1.171 0.000 -13.779) 13.829 6.196 ( 16.532 -0.000 -5.329) 17.369 6.604 ( 9.958 -0.000 -4.689) 11.007 6.891 ( -1.984 0.000 8.243) 8.478 7.043 ( -3.125 0.000 -6.927) 7.599 7.321 ( -8.397 0.000 7.220) 11.074 7.377 ( -1.294 0.000 -3.789) 4.004 8.068 ( -7.686 0.000 4.197) 8.757 8.280 ( -4.596 0.000 1.390) 4.802 8.317 ( -10.039 0.000 6.254) 11.828 8.757 ( -6.380 0.000 -3.363) 7.213 9.173 ( -0.785 0.000 -4.277) 4.349 9.832 ( 4.909 -0.000 4.660) 6.769 9.882 ( -0.913 0.000 -0.500) 1.041 10.366 ( 1.502 -0.000 11.835) 11.930 10.662 ( -2.439 0.000 10.671) 10.946 11.080 ( -2.374 0.000 -5.832) 6.296 11.456 ( -4.507 0.000 -7.218) 8.510 12.072 ( -1.767 0.000 0.156) 1.774 12.107 ( -1.070 0.000 0.629) 1.241 15.147 ( 83.503 -0.000 -6.252) 83.736 15.368 ( 0.008 -0.000 9.244) 9.244 15.877 ( 11.820 -0.000 -4.795) 12.755 17.341 ( 33.894 -0.000 -2.984) 34.025 17.970 ( 1.343 -0.000 -5.638) 5.796 19.424 ( -54.764 0.000 -14.480) 56.646 20.218 ( -39.234 0.000 7.842) 40.010 21.000 ( 9.034 -0.000 8.669) 12.520 22.792 ( -7.782 0.000 -5.160) 9.337 ======================= Grid point 444 (193/216) ======================= q-point: ( 0.36 -0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 2.607 5.443 -0.000) 6.035 2.341 ( 2.771 16.377 -0.000) 16.610 2.437 ( -12.812 -8.844 0.000) 15.568 2.681 ( -6.441 19.510 -0.000) 20.545 4.701 ( 7.638 -47.093 0.000) 47.708 5.144 ( -1.842 1.423 -0.000) 2.328 5.450 ( -7.713 17.429 -0.000) 19.060 5.732 ( -3.562 40.411 -0.000) 40.568 6.264 ( -3.932 -8.914 0.000) 9.743 6.279 ( -0.094 -5.972 0.000) 5.973 6.480 ( 0.079 25.337 -0.000) 25.337 6.703 ( -1.775 -8.172 0.000) 8.363 6.957 ( 6.471 0.866 -0.000) 6.528 7.484 ( 1.929 0.181 -0.000) 1.938 7.548 ( -6.789 6.114 -0.000) 9.136 7.765 ( -0.235 19.989 -0.000) 19.990 8.055 ( -6.475 -8.215 0.000) 10.460 9.194 ( 5.561 -18.276 0.000) 19.103 9.465 ( 0.179 -4.734 0.000) 4.737 9.672 ( -0.695 8.955 -0.000) 8.982 9.785 ( -1.602 0.250 0.000) 1.621 10.098 ( 3.770 -0.308 -0.000) 3.782 10.626 ( -2.058 -16.092 0.000) 16.223 11.177 ( -5.179 9.319 -0.000) 10.662 11.249 ( -0.532 2.620 -0.000) 2.673 12.399 ( 3.908 -12.872 0.000) 13.453 13.438 ( 7.318 -20.648 0.000) 21.906 15.223 ( 0.502 -4.775 0.000) 4.801 15.735 ( 6.939 9.946 -0.000) 12.127 16.301 ( 73.272 5.562 -0.000) 73.483 17.785 ( -18.953 5.735 0.000) 19.802 17.890 ( 24.249 1.405 -0.000) 24.290 19.088 ( -26.192 15.729 -0.000) 30.552 19.628 ( -45.483 -17.567 0.000) 48.757 21.143 ( 5.409 -7.403 0.000) 9.169 22.593 ( -4.965 5.149 -0.000) 7.153 ======================= Grid point 445 (194/216) ======================= q-point: ( 0.45 -0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 3.659 8.044 12.292) 15.139 2.228 ( -17.263 -12.408 -2.557) 21.412 2.594 ( 3.543 16.703 -2.595) 17.271 2.923 ( -6.191 15.488 1.046) 16.713 4.005 ( 3.859 -51.597 -3.514) 51.860 4.999 ( -2.754 5.516 -19.617) 20.563 5.794 ( 4.523 6.234 10.780) 13.249 6.058 ( -2.700 -1.572 -3.621) 4.782 6.157 ( -3.887 -3.527 2.863) 5.979 6.264 ( -5.907 22.163 -2.705) 23.096 6.670 ( 3.838 6.996 -0.562) 7.999 6.815 ( -1.985 17.582 -1.607) 17.767 7.023 ( 5.628 4.230 6.347) 9.479 7.356 ( 1.922 -9.827 -0.373) 10.020 7.724 ( -6.215 13.840 -2.479) 15.372 7.990 ( -7.638 -5.683 4.284) 10.440 8.041 ( -2.315 19.308 0.898) 19.467 8.911 ( 3.020 -15.676 -6.023) 17.063 9.412 ( -0.320 -3.964 0.132) 3.979 9.756 ( 2.431 -0.373 3.281) 4.100 9.868 ( -3.753 2.257 8.835) 9.861 10.140 ( 5.753 3.336 3.286) 7.418 10.414 ( -5.381 -14.881 0.574) 15.834 11.236 ( -1.098 2.892 -6.754) 7.429 11.296 ( -2.676 12.095 -3.321) 12.825 12.133 ( 2.809 -15.472 -9.398) 18.320 13.197 ( 4.089 -26.476 8.684) 28.162 15.183 ( 0.718 -2.716 2.467) 3.739 15.860 ( 6.863 7.686 0.509) 10.317 16.377 ( 75.046 3.315 1.342) 75.131 17.857 ( -7.748 5.487 -1.713) 9.647 17.913 ( 18.562 2.438 0.452) 18.727 19.227 ( -33.831 2.950 -7.926) 34.872 19.403 ( -41.407 -6.233 1.077) 41.887 21.069 ( 5.249 -5.623 1.873) 7.916 22.650 ( -5.544 4.803 -1.250) 7.441 ======================= Grid point 446 (195/216) ======================= q-point: ( 0.55 -0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( -22.449 -10.181 -5.055) 25.163 2.198 ( 3.828 8.933 20.157) 22.377 2.725 ( 5.011 11.368 -5.480) 13.578 3.110 ( -7.044 10.626 0.882) 12.779 3.288 ( 2.100 -45.260 -5.784) 45.677 4.791 ( -3.491 6.163 -21.607) 22.738 5.711 ( 3.613 -14.943 -1.721) 15.469 5.958 ( 0.446 -3.246 -9.395) 9.950 6.291 ( -1.266 6.396 8.691) 10.865 6.517 ( 0.007 19.170 -4.516) 19.695 6.764 ( 4.206 6.860 -0.426) 8.058 6.945 ( -1.823 8.560 -3.514) 9.430 7.215 ( 1.896 7.717 6.109) 10.023 7.252 ( -0.995 -4.343 -0.227) 4.462 7.846 ( -5.774 9.862 -1.427) 11.517 8.021 ( -7.196 -2.677 8.686) 11.593 8.250 ( -3.292 9.624 -1.419) 10.270 8.677 ( -0.092 -5.166 -4.869) 7.100 9.343 ( -0.570 -6.039 -1.107) 6.167 9.821 ( 3.679 -1.292 7.401) 8.366 9.958 ( -0.279 -3.571 2.921) 4.622 10.252 ( -3.556 -6.205 11.825) 13.820 10.353 ( -0.688 5.367 6.150) 8.192 11.147 ( -1.209 2.404 -10.314) 10.659 11.429 ( -1.112 17.971 -5.489) 18.824 11.781 ( 0.662 -14.140 -11.399) 18.174 12.934 ( 2.013 -32.849 8.923) 34.099 15.230 ( 1.106 0.330 6.380) 6.483 15.940 ( 7.907 3.886 -0.313) 8.816 16.409 ( 76.243 0.496 -0.654) 76.248 17.864 ( 21.639 2.145 -3.703) 22.059 17.965 ( -1.892 4.578 -1.274) 5.114 18.943 ( -52.373 -11.576 -14.066) 55.450 19.516 ( -32.406 8.294 3.260) 33.608 21.051 ( 4.994 -3.510 4.458) 7.559 22.685 ( -5.178 3.912 -2.079) 6.815 ======================= Grid point 447 (196/216) ======================= q-point: (-0.36 -0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( -27.743 -5.823 -7.571) 29.341 2.562 ( 4.642 5.827 11.537) 13.733 2.690 ( 0.723 -25.497 -8.945) 27.030 2.776 ( 5.038 3.332 1.279) 6.174 3.226 ( -7.682 5.327 0.596) 9.367 4.560 ( -4.862 4.073 -21.781) 22.685 5.505 ( 2.831 -9.831 -2.723) 10.587 5.747 ( -0.898 -2.761 -14.916) 15.196 6.402 ( 13.200 2.318 -0.031) 13.402 6.667 ( 2.841 9.713 -3.638) 10.754 6.821 ( -3.252 1.471 3.176) 4.777 6.964 ( -3.197 3.739 -4.972) 6.995 7.224 ( -5.119 -0.237 -0.080) 5.125 7.338 ( -0.034 3.029 -0.155) 3.033 7.956 ( -5.228 4.599 3.197) 7.662 8.169 ( -4.802 3.384 11.495) 12.909 8.254 ( -2.197 -1.027 -1.569) 2.889 8.649 ( -3.266 4.334 -2.831) 6.121 9.223 ( -0.406 -7.856 -2.124) 8.148 9.886 ( 2.982 -1.332 2.485) 4.104 9.913 ( -0.468 -4.505 2.839) 5.345 10.378 ( -0.943 -1.152 13.983) 14.062 10.589 ( -1.004 7.091 10.049) 12.340 11.042 ( -1.320 1.725 -7.322) 7.637 11.454 ( -2.051 -5.371 -11.767) 13.096 11.675 ( -0.854 23.970 -2.305) 24.096 12.560 ( 0.333 -38.097 4.888) 38.411 15.353 ( 0.984 2.216 8.247) 8.596 15.955 ( 10.216 0.483 -1.437) 10.328 16.367 ( 77.416 -1.515 -4.637) 77.569 17.819 ( 28.678 0.966 -5.901) 29.295 17.970 ( -0.087 1.964 -4.622) 5.023 18.618 ( -61.820 -6.435 -14.283) 63.774 19.650 ( -35.409 5.239 2.616) 35.890 21.104 ( 4.695 -1.349 8.006) 9.379 22.693 ( -4.040 2.278 -2.882) 5.460 ======================= Grid point 448 (197/216) ======================= q-point: (-0.27 -0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -31.879 0.000 -9.606) 33.295 2.358 ( -0.309 0.000 -12.300) 12.304 2.556 ( 5.584 -0.000 -10.740) 12.105 2.966 ( 3.167 -0.000 13.406) 13.775 3.271 ( -7.535 0.000 0.918) 7.591 4.294 ( -6.234 0.000 -20.448) 21.377 5.407 ( 3.191 -0.000 -1.349) 3.464 5.487 ( -2.225 0.000 -19.051) 19.181 6.397 ( 19.842 -0.000 -1.815) 19.925 6.665 ( 6.486 -0.000 -3.058) 7.171 6.915 ( -11.513 0.000 6.593) 13.267 6.924 ( -3.099 0.000 -3.561) 4.720 7.208 ( -8.543 0.000 -3.844) 9.368 7.306 ( -0.696 0.000 -4.509) 4.562 8.049 ( -5.008 0.000 5.277) 7.275 8.258 ( -1.595 0.000 2.811) 3.232 8.374 ( -2.185 0.000 12.274) 12.467 8.637 ( -4.084 0.000 -2.891) 5.004 9.122 ( -0.220 0.000 -2.175) 2.186 9.898 ( 1.767 -0.000 -2.448) 3.020 9.902 ( 1.379 -0.000 2.896) 3.207 10.579 ( 2.222 -0.000 14.962) 15.126 10.698 ( -0.276 0.000 -2.396) 2.412 11.047 ( -2.772 0.000 6.181) 6.774 11.283 ( -4.762 0.000 -7.273) 8.693 12.036 ( -1.652 0.000 -1.565) 2.275 12.121 ( -0.144 -0.000 2.635) 2.639 15.484 ( 0.253 -0.000 6.809) 6.814 15.924 ( 18.085 -0.000 -3.142) 18.355 16.254 ( 71.949 -0.000 -8.470) 72.445 17.722 ( 28.158 -0.000 -9.092) 29.590 17.904 ( 0.484 0.000 -5.564) 5.585 18.396 ( -60.388 0.000 -12.042) 61.577 19.719 ( -41.181 0.000 2.270) 41.244 21.231 ( 4.364 -0.000 11.158) 11.981 22.661 ( -2.541 0.000 -3.972) 4.715 ======================= Grid point 454 (198/216) ======================= q-point: ( 0.27 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 0.000 3.232 -0.000) 3.232 2.079 ( 0.000 23.720 -0.000) 23.720 2.345 ( 0.000 23.702 -0.000) 23.702 2.531 ( -0.000 -14.614 0.000) 14.614 5.071 ( 0.000 23.595 -0.000) 23.595 5.104 ( 0.000 48.329 -0.000) 48.329 5.114 ( 0.000 1.072 -0.000) 1.072 5.419 ( -0.000 -47.197 0.000) 47.197 6.111 ( 0.000 28.399 -0.000) 28.399 6.287 ( 0.000 1.373 -0.000) 1.373 6.382 ( -0.000 -7.827 0.000) 7.827 6.924 ( -0.000 -24.625 0.000) 24.625 6.985 ( 0.000 1.663 -0.000) 1.663 7.194 ( 0.000 22.291 -0.000) 22.291 7.522 ( 0.000 17.184 -0.000) 17.184 7.686 ( -0.000 -12.663 0.000) 12.663 8.143 ( -0.000 -10.897 0.000) 10.897 9.485 ( -0.000 -18.368 0.000) 18.368 9.537 ( 0.000 10.469 -0.000) 10.469 9.545 ( -0.000 -6.729 0.000) 6.729 9.731 ( 0.000 5.976 -0.000) 5.976 10.146 ( -0.000 -4.067 0.000) 4.067 10.841 ( -0.000 -16.279 0.000) 16.279 11.007 ( 0.000 9.218 -0.000) 9.218 11.215 ( 0.000 2.033 -0.000) 2.033 12.566 ( -0.000 -7.965 0.000) 7.965 13.756 ( -0.000 -17.235 0.000) 17.235 15.297 ( -0.000 -5.469 0.000) 5.469 15.635 ( 0.000 10.258 -0.000) 10.258 16.942 ( 0.000 13.496 -0.000) 13.496 17.446 ( -0.000 -4.819 0.000) 4.819 18.048 ( 0.000 4.910 -0.000) 4.910 18.646 ( 0.000 16.109 -0.000) 16.109 19.483 ( -0.000 -14.347 0.000) 14.347 21.289 ( -0.000 -8.882 0.000) 8.882 22.497 ( 0.000 4.435 -0.000) 4.435 ======================= Grid point 455 (199/216) ======================= q-point: ( 0.36 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 0.000 6.947 10.865) 12.896 2.309 ( -0.000 -15.676 -2.537) 15.880 2.372 ( 0.000 20.472 -0.769) 20.486 2.641 ( 0.000 19.622 0.661) 19.633 4.728 ( -0.000 -51.647 -4.560) 51.848 4.878 ( -0.000 9.376 -24.630) 26.354 5.620 ( 0.000 15.756 21.448) 26.614 5.702 ( 0.000 40.667 -0.172) 40.668 6.224 ( -0.000 -2.542 -7.285) 7.716 6.243 ( -0.000 -11.715 0.802) 11.742 6.507 ( 0.000 20.854 2.861) 21.050 6.697 ( -0.000 -7.460 0.960) 7.521 7.033 ( 0.000 2.123 3.698) 4.263 7.456 ( 0.000 18.662 -2.050) 18.774 7.517 ( -0.000 -11.736 -0.908) 11.771 7.773 ( 0.000 18.957 1.237) 18.997 8.040 ( 0.000 -9.058 4.625) 10.170 9.151 ( -0.000 -15.697 -10.362) 18.809 9.472 ( -0.000 -5.343 0.846) 5.410 9.747 ( 0.000 5.999 9.798) 11.488 9.812 ( 0.000 0.395 5.486) 5.500 10.131 ( 0.000 1.867 0.804) 2.033 10.609 ( -0.000 -17.631 -0.352) 17.634 11.112 ( 0.000 10.498 -3.800) 11.164 11.203 ( -0.000 2.391 -5.744) 6.222 12.343 ( -0.000 -12.416 -11.112) 16.662 13.569 ( 0.000 -23.366 10.357) 25.559 15.231 ( -0.000 -3.416 0.393) 3.439 15.788 ( 0.000 8.655 3.168) 9.217 17.163 ( 0.000 13.737 3.803) 14.253 17.391 ( -0.000 -4.406 1.002) 4.518 18.103 ( 0.000 4.418 -1.047) 4.540 18.836 ( 0.000 14.101 -3.159) 14.450 19.219 ( -0.000 -15.002 -7.479) 16.763 21.193 ( -0.000 -7.463 1.766) 7.669 22.549 ( 0.000 4.738 -1.107) 4.866 ======================= Grid point 456 (200/216) ======================= q-point: ( 0.45 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( -0.000 -15.867 -4.971) 16.628 2.095 ( 0.000 10.155 18.500) 21.104 2.583 ( 0.000 15.529 -3.397) 15.896 2.881 ( 0.000 15.496 0.356) 15.500 3.955 ( -0.000 -51.523 -7.251) 52.031 4.666 ( -0.000 8.966 -23.829) 25.460 5.968 ( -0.000 -13.164 -2.965) 13.494 5.995 ( -0.000 0.404 -1.347) 1.406 6.137 ( 0.000 7.841 7.862) 11.104 6.196 ( 0.000 23.284 -1.015) 23.306 6.721 ( 0.000 4.506 1.558) 4.768 6.758 ( 0.000 16.115 -2.871) 16.368 7.151 ( 0.000 4.390 6.644) 7.964 7.357 ( -0.000 -9.759 -1.229) 9.837 7.632 ( 0.000 14.570 -3.147) 14.906 8.036 ( 0.000 17.252 0.878) 17.275 8.036 ( 0.000 -6.105 9.225) 11.062 8.816 ( -0.000 -12.884 -9.328) 15.906 9.417 ( -0.000 -5.754 1.278) 5.895 9.886 ( 0.000 -2.992 7.383) 7.966 9.944 ( 0.000 2.802 8.637) 9.080 10.237 ( 0.000 8.399 4.898) 9.723 10.397 ( -0.000 -15.170 3.257) 15.516 11.102 ( -0.000 3.086 -10.443) 10.890 11.217 ( -0.000 12.641 -5.603) 13.827 11.982 ( -0.000 -14.231 -13.908) 19.898 13.379 ( 0.000 -30.335 12.148) 32.677 15.237 ( 0.000 0.136 3.669) 3.672 15.930 ( 0.000 4.469 4.266) 6.178 17.359 ( 0.000 -3.590 2.058) 4.138 17.371 ( 0.000 11.528 1.012) 11.572 18.134 ( -0.000 3.544 -2.149) 4.144 18.713 ( -0.000 -11.293 -17.965) 21.219 19.116 ( 0.000 8.427 0.126) 8.428 21.145 ( 0.000 -5.443 3.937) 6.717 22.592 ( 0.000 4.681 -1.697) 4.979 ======================= Grid point 457 (201/216) ======================= q-point: (-0.45 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -0.000 -13.637 -7.867) 15.743 2.486 ( 0.000 10.324 13.728) 17.177 2.696 ( 0.000 10.043 -2.723) 10.406 3.060 ( 0.000 10.587 0.507) 10.599 3.201 ( -0.000 -44.488 -8.038) 45.208 4.451 ( -0.000 7.208 -22.769) 23.882 5.708 ( -0.000 -16.768 -2.241) 16.917 5.795 ( -0.000 -5.188 -14.190) 15.109 6.433 ( 0.000 8.661 10.095) 13.301 6.451 ( 0.000 18.540 -3.784) 18.922 6.780 ( -0.000 3.079 -1.761) 3.547 6.867 ( -0.000 8.683 -4.312) 9.695 7.214 ( -0.000 -3.263 -2.927) 4.384 7.308 ( 0.000 1.137 4.927) 5.057 7.793 ( 0.000 13.036 0.372) 13.042 8.129 ( 0.000 -2.114 12.158) 12.340 8.203 ( 0.000 7.504 -1.966) 7.757 8.609 ( -0.000 -2.732 -3.757) 4.646 9.339 ( -0.000 -9.120 1.190) 9.197 9.928 ( 0.000 -1.584 2.753) 3.177 9.990 ( -0.000 -6.436 2.160) 6.789 10.390 ( 0.000 -3.258 13.575) 13.960 10.464 ( 0.000 10.197 8.177) 13.070 11.001 ( -0.000 2.983 -8.455) 8.966 11.324 ( -0.000 17.583 -9.088) 19.793 11.631 ( -0.000 -11.303 -9.213) 14.582 13.078 ( -0.000 -37.954 9.287) 39.074 15.328 ( 0.000 3.149 5.778) 6.580 16.014 ( 0.000 -0.404 3.777) 3.799 17.353 ( 0.000 -2.491 3.008) 3.905 17.461 ( -0.000 7.401 -8.031) 10.921 18.137 ( -0.000 2.423 -3.134) 3.961 18.270 ( -0.000 -13.402 -18.635) 22.954 19.243 ( 0.000 9.930 -1.335) 10.020 21.165 ( 0.000 -2.920 7.217) 7.785 22.623 ( -0.000 3.919 -2.236) 4.512 ======================= Grid point 458 (202/216) ======================= q-point: (-0.36 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -0.000 -8.541 -10.941) 13.880 2.533 ( -0.000 -24.103 -13.612) 27.681 2.573 ( -0.000 4.216 -10.535) 11.347 2.957 ( 0.000 3.335 13.561) 13.965 3.177 ( 0.000 5.330 1.372) 5.504 4.223 ( -0.000 3.999 -20.971) 21.349 5.499 ( -0.000 -4.118 -19.082) 19.521 5.500 ( -0.000 -10.168 -1.071) 10.224 6.604 ( 0.000 11.013 -1.524) 11.118 6.621 ( 0.000 3.990 5.250) 6.594 6.758 ( -0.000 -1.291 -1.988) 2.371 6.884 ( -0.000 2.602 -3.297) 4.200 7.143 ( -0.000 0.863 -5.155) 5.226 7.321 ( -0.000 -2.385 -2.535) 3.481 7.966 ( 0.000 7.511 3.965) 8.493 8.237 ( 0.000 1.983 1.562) 2.524 8.318 ( 0.000 4.082 12.568) 13.215 8.593 ( -0.000 1.827 -1.614) 2.438 9.208 ( -0.000 -11.416 0.258) 11.419 9.913 ( -0.000 -0.447 -3.098) 3.130 9.942 ( 0.000 -4.386 3.552) 5.644 10.592 ( 0.000 0.429 16.066) 16.071 10.649 ( 0.000 6.551 -0.864) 6.608 10.998 ( 0.000 4.083 2.967) 5.047 11.272 ( -0.000 -0.936 -10.821) 10.861 11.647 ( 0.000 22.494 -0.827) 22.509 12.632 ( -0.000 -43.971 5.275) 44.287 15.459 ( 0.000 4.009 5.457) 6.771 16.031 ( 0.000 -2.881 2.386) 3.741 17.274 ( -0.000 -1.065 -25.758) 25.780 17.376 ( 0.000 -1.240 3.734) 3.935 17.944 ( -0.000 -5.274 -8.570) 10.063 18.112 ( -0.000 1.190 -3.876) 4.055 19.322 ( -0.000 6.314 -3.133) 7.049 21.267 ( 0.000 -0.797 10.679) 10.709 22.628 ( -0.000 2.265 -3.214) 3.932 ======================= Grid point 459 (203/216) ======================= q-point: (-0.27 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -0.000 -0.000 -13.658) 13.658 2.146 ( -0.000 -0.000 -17.387) 17.387 2.418 ( -0.000 -0.000 -14.563) 14.563 3.099 ( 0.000 0.000 1.783) 1.783 3.240 ( 0.000 0.000 2.536) 2.536 3.982 ( -0.000 -0.000 -17.198) 17.198 5.182 ( -0.000 -0.000 -21.685) 21.685 5.433 ( 0.000 0.000 1.605) 1.605 6.694 ( 0.000 0.000 1.543) 1.543 6.704 ( 0.000 0.000 2.085) 2.085 6.734 ( 0.000 0.000 3.973) 3.973 6.865 ( -0.000 -0.000 -1.657) 1.657 7.046 ( -0.000 -0.000 -10.915) 10.915 7.232 ( -0.000 -0.000 -5.337) 5.337 8.082 ( 0.000 0.000 4.994) 4.994 8.318 ( 0.000 0.000 6.645) 6.645 8.532 ( 0.000 0.000 11.224) 11.224 8.573 ( -0.000 -0.000 -2.127) 2.127 9.102 ( -0.000 -0.000 -0.766) 0.766 9.841 ( -0.000 -0.000 -5.987) 5.987 9.980 ( 0.000 0.000 5.302) 5.302 10.621 ( -0.000 -0.000 -7.117) 7.117 10.816 ( 0.000 0.000 15.374) 15.374 11.129 ( 0.000 0.000 7.160) 7.160 11.160 ( -0.000 -0.000 -4.124) 4.124 12.000 ( -0.000 -0.000 -1.329) 1.329 12.172 ( 0.000 0.000 4.500) 4.500 15.552 ( 0.000 0.000 2.518) 2.518 16.024 ( -0.000 -0.000 -0.081) 0.081 16.830 ( -0.000 -0.000 -31.700) 31.700 17.423 ( 0.000 0.000 4.150) 4.150 17.839 ( -0.000 -0.000 -4.038) 4.038 18.063 ( -0.000 -0.000 -4.285) 4.285 19.315 ( -0.000 -0.000 -4.327) 4.327 21.427 ( 0.000 0.000 12.593) 12.593 22.590 ( -0.000 -0.000 -4.612) 4.612 ======================= Grid point 535 (204/216) ======================= q-point: (-0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 12.517 -0.000 -0.000) 12.517 2.497 ( 8.755 -0.000 -0.000) 8.755 2.710 ( 4.696 -0.000 -0.000) 4.696 2.997 ( -27.573 0.000 0.000) 27.573 3.520 ( -14.617 0.000 0.000) 14.617 5.251 ( -0.644 0.000 0.000) 0.644 5.456 ( 2.492 -0.000 -0.000) 2.492 5.966 ( 7.727 -0.000 -0.000) 7.727 6.314 ( 2.493 -0.000 -0.000) 2.493 6.587 ( 14.591 -0.000 -0.000) 14.591 6.599 ( 8.952 -0.000 -0.000) 8.952 7.010 ( -11.349 0.000 0.000) 11.349 7.339 ( 3.542 -0.000 -0.000) 3.542 7.469 ( -5.949 0.000 0.000) 5.949 8.150 ( -12.463 0.000 0.000) 12.463 8.374 ( -4.526 0.000 0.000) 4.526 8.387 ( -18.816 0.000 0.000) 18.816 8.944 ( -5.260 0.000 0.000) 5.260 9.340 ( 2.584 -0.000 -0.000) 2.584 9.695 ( -4.213 0.000 0.000) 4.213 9.960 ( -3.890 0.000 0.000) 3.890 10.044 ( -5.372 0.000 0.000) 5.372 10.162 ( 6.419 -0.000 -0.000) 6.419 11.399 ( -1.188 0.000 0.000) 1.188 11.632 ( 4.587 -0.000 -0.000) 4.587 12.072 ( -3.109 0.000 0.000) 3.109 12.139 ( -2.739 0.000 0.000) 2.739 14.089 ( 81.003 -0.000 -0.000) 81.003 15.107 ( -1.604 0.000 0.000) 1.604 15.971 ( 4.324 -0.000 -0.000) 4.324 16.837 ( 35.573 -0.000 -0.000) 35.573 18.080 ( 2.736 -0.000 -0.000) 2.736 20.290 ( -20.929 0.000 0.000) 20.929 20.564 ( -35.458 0.000 0.000) 35.458 20.698 ( -0.653 0.000 0.000) 0.653 23.119 ( -16.070 0.000 0.000) 16.070 ======================= Grid point 545 (205/216) ======================= q-point: (-0.45 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 9.327 3.661 -0.000) 10.020 2.435 ( -33.783 -2.020 0.000) 33.843 2.790 ( 6.103 -25.298 0.000) 26.024 2.873 ( 5.114 2.616 -0.000) 5.744 3.307 ( -10.126 5.586 -0.000) 11.564 5.225 ( -1.923 0.840 -0.000) 2.098 5.543 ( 3.325 -6.626 0.000) 7.413 6.043 ( 2.515 -1.914 0.000) 3.160 6.280 ( -4.447 4.447 -0.000) 6.289 6.711 ( 11.929 5.391 -0.000) 13.091 6.832 ( 14.182 -2.334 -0.000) 14.372 6.863 ( -3.390 5.999 -0.000) 6.890 7.306 ( 1.223 10.517 -0.000) 10.588 7.325 ( -7.874 5.831 -0.000) 9.798 7.986 ( -10.093 -0.124 0.000) 10.094 8.126 ( -16.318 1.850 0.000) 16.422 8.359 ( -3.528 -4.603 0.000) 5.800 8.794 ( -3.013 10.036 -0.000) 10.478 9.370 ( 1.268 -0.193 -0.000) 1.282 9.659 ( -2.848 -2.711 0.000) 3.932 9.934 ( -1.187 -5.571 0.000) 5.696 9.958 ( -3.408 3.409 -0.000) 4.821 10.268 ( 0.836 -3.925 0.000) 4.013 11.367 ( -0.940 2.141 -0.000) 2.338 11.757 ( 3.559 -10.257 0.000) 10.856 11.773 ( -2.638 19.947 -0.000) 20.120 12.412 ( -0.672 -26.081 0.000) 26.090 15.097 ( -0.980 -1.384 0.000) 1.696 15.247 ( 84.982 1.832 -0.000) 85.002 16.008 ( 3.980 2.667 -0.000) 4.791 17.392 ( 39.676 -1.851 -0.000) 39.719 18.098 ( 1.072 2.231 -0.000) 2.476 19.854 ( -60.058 -6.172 0.000) 60.374 19.925 ( -26.321 5.298 0.000) 26.849 20.852 ( 9.805 -1.788 -0.000) 9.966 22.894 ( -12.853 2.525 0.000) 13.099 ======================= Grid point 546 (206/216) ======================= q-point: (-0.36 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 9.008 -0.000 15.039) 17.531 2.408 ( -35.768 0.000 -2.109) 35.830 2.584 ( 4.894 -0.000 -1.530) 5.128 2.876 ( 6.306 -0.000 -4.469) 7.729 3.355 ( -10.287 0.000 1.395) 10.381 5.150 ( -3.275 0.000 -11.050) 11.525 5.480 ( 3.289 -0.000 -2.301) 4.014 5.999 ( 1.912 -0.000 -4.472) 4.864 6.311 ( 2.745 -0.000 -0.985) 2.916 6.732 ( 12.213 -0.000 -3.100) 12.600 6.752 ( 6.398 -0.000 -1.896) 6.673 7.026 ( 0.411 -0.000 12.063) 12.070 7.276 ( -3.265 0.000 -8.438) 9.048 7.423 ( -2.470 0.000 1.406) 2.842 7.992 ( -10.866 0.000 1.323) 10.946 8.158 ( -15.751 0.000 2.788) 15.995 8.312 ( -3.761 0.000 -0.747) 3.834 8.855 ( -4.810 0.000 -2.735) 5.534 9.327 ( 0.042 0.000 -5.456) 5.456 9.667 ( 0.639 -0.000 4.111) 4.160 9.889 ( -5.208 0.000 -0.028) 5.208 10.062 ( -3.744 0.000 9.866) 10.552 10.302 ( 3.405 -0.000 8.489) 9.147 11.333 ( -1.059 0.000 -7.023) 7.103 11.648 ( 1.584 -0.000 -4.973) 5.219 12.046 ( -1.618 0.000 1.278) 2.062 12.106 ( -1.793 0.000 -0.146) 1.799 15.129 ( -0.941 0.000 5.794) 5.870 15.249 ( 85.181 -0.000 -1.591) 85.196 16.004 ( 4.862 -0.000 -3.107) 5.770 17.378 ( 40.207 -0.000 -0.314) 40.208 18.095 ( 1.935 -0.000 -2.634) 3.268 19.744 ( -56.050 0.000 -8.119) 56.635 20.017 ( -32.142 0.000 6.311) 32.756 20.854 ( 9.700 -0.000 2.184) 9.943 22.896 ( -12.501 0.000 -2.062) 12.670 ======================= Grid point 555 (207/216) ======================= q-point: ( 0.45 -0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 4.714 6.922 -0.000) 8.375 2.098 ( -22.040 -9.761 0.000) 24.105 2.814 ( 4.000 12.725 -0.000) 13.339 3.093 ( -4.918 11.064 -0.000) 12.108 3.367 ( 2.911 -46.485 0.000) 46.576 5.185 ( -1.366 1.495 -0.000) 2.025 5.716 ( 5.640 -9.353 0.000) 10.922 6.067 ( -10.361 10.278 -0.000) 14.594 6.107 ( 1.284 -4.109 0.000) 4.305 6.641 ( 1.844 24.119 -0.000) 24.190 6.764 ( 0.945 6.961 -0.000) 7.025 6.991 ( 8.214 2.149 -0.000) 8.491 7.111 ( -0.361 18.749 -0.000) 18.752 7.246 ( 0.036 -6.416 0.000) 6.416 7.880 ( -4.450 2.481 -0.000) 5.094 7.899 ( -11.642 1.004 0.000) 11.686 8.269 ( -3.138 12.861 -0.000) 13.238 8.767 ( 1.904 -9.212 0.000) 9.407 9.383 ( 0.036 -0.969 0.000) 0.970 9.682 ( -1.764 -5.106 0.000) 5.402 9.868 ( -1.181 5.374 -0.000) 5.502 10.075 ( 4.424 -10.686 0.000) 11.565 10.278 ( -4.439 -2.420 0.000) 5.056 11.323 ( -0.591 2.782 -0.000) 2.844 11.503 ( -2.052 15.955 -0.000) 16.086 11.983 ( 2.533 -16.284 0.000) 16.479 12.776 ( 1.116 -27.946 0.000) 27.969 15.117 ( -0.332 -2.994 0.000) 3.013 15.955 ( 5.145 6.093 -0.000) 7.975 16.418 ( 77.415 3.081 -0.000) 77.476 17.923 ( 33.079 0.992 -0.000) 33.094 17.977 ( -14.025 8.489 -0.000) 16.394 19.169 ( -52.366 -16.008 0.000) 54.759 19.439 ( -26.944 9.911 0.000) 28.709 20.994 ( 5.190 -3.788 0.000) 6.425 22.714 ( -6.672 3.603 -0.000) 7.583 ======================= Grid point 556 (208/216) ======================= q-point: ( 0.55 -0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( -24.518 -5.125 -2.579) 25.180 2.039 ( 3.672 4.315 14.071) 15.169 2.834 ( 2.414 -28.801 -2.218) 28.987 2.917 ( 4.631 6.329 -3.988) 8.798 3.209 ( -5.374 5.684 0.594) 7.845 5.098 ( -2.061 1.953 -13.836) 14.124 5.577 ( 2.550 -8.243 -1.611) 8.777 6.026 ( 0.398 -2.012 -5.127) 5.522 6.268 ( -2.577 6.995 7.350) 10.469 6.776 ( 4.694 7.439 -5.909) 10.597 6.871 ( 7.887 5.707 -2.121) 9.964 7.054 ( 4.006 3.899 3.116) 6.400 7.181 ( -4.313 0.076 -2.778) 5.131 7.331 ( -0.702 10.095 1.255) 10.197 7.873 ( -7.654 -2.215 3.274) 8.614 7.958 ( -9.081 3.071 2.143) 9.823 8.309 ( -2.202 -3.455 -1.404) 4.331 8.742 ( -1.794 6.355 -2.820) 7.180 9.336 ( -0.381 -1.666 -5.207) 5.481 9.691 ( 0.995 -1.547 7.898) 8.109 9.883 ( -1.727 -6.292 -0.520) 6.545 10.020 ( -3.353 -2.529 10.534) 11.340 10.324 ( 1.385 2.634 5.441) 6.202 11.305 ( -0.649 2.168 -7.179) 7.527 11.727 ( -0.810 7.862 -3.587) 8.679 11.751 ( 0.722 2.926 -4.847) 5.708 12.432 ( -0.146 -29.307 3.577) 29.525 15.128 ( -0.372 -1.196 5.688) 5.824 16.005 ( 4.914 2.914 -1.511) 5.909 16.441 ( 78.399 1.324 -1.118) 78.419 17.922 ( 34.523 0.689 -1.723) 34.573 18.069 ( -4.421 6.257 -2.076) 7.938 18.936 ( -61.030 -10.164 -6.944) 62.259 19.562 ( -28.368 5.065 2.774) 28.950 20.970 ( 5.060 -1.867 2.056) 5.772 22.745 ( -6.743 2.010 -0.939) 7.098 ======================= Grid point 557 (209/216) ======================= q-point: (-0.36 -0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -27.886 0.000 -5.524) 28.428 2.334 ( 4.558 -0.000 21.867) 22.337 2.587 ( 1.686 -0.000 -4.681) 4.975 2.884 ( 5.612 -0.000 -6.712) 8.749 3.255 ( -6.587 0.000 0.513) 6.607 4.877 ( -3.665 0.000 -19.676) 20.014 5.483 ( 2.469 -0.000 -3.229) 4.065 5.907 ( -0.204 0.000 -10.304) 10.306 6.397 ( 6.181 -0.000 4.174) 7.459 6.785 ( 0.474 -0.000 0.043) 0.476 6.827 ( 10.367 -0.000 -6.643) 12.313 7.088 ( -5.988 0.000 -7.910) 9.921 7.167 ( -1.217 0.000 5.675) 5.804 7.396 ( -1.092 0.000 -1.623) 1.957 7.914 ( -5.492 0.000 4.520) 7.113 8.061 ( -8.059 0.000 8.473) 11.693 8.254 ( -2.167 0.000 -1.319) 2.537 8.744 ( -3.250 0.000 -4.503) 5.553 9.233 ( -0.611 0.000 -5.913) 5.944 9.806 ( 3.549 -0.000 8.336) 9.060 9.839 ( -2.790 0.000 1.531) 3.183 10.177 ( -2.717 0.000 13.355) 13.629 10.473 ( 0.715 -0.000 11.789) 11.811 11.191 ( -0.768 0.000 -10.841) 10.868 11.543 ( -0.876 0.000 -9.896) 9.935 12.051 ( -0.640 0.000 0.923) 1.123 12.088 ( -0.766 0.000 0.213) 0.795 15.231 ( -0.243 -0.000 9.566) 9.569 15.993 ( 6.090 -0.000 -2.601) 6.622 16.420 ( 79.675 -0.000 -3.224) 79.740 17.891 ( 34.453 -0.000 -3.513) 34.632 18.062 ( 0.907 -0.000 -4.917) 5.000 18.741 ( -66.948 0.000 -10.926) 67.834 19.641 ( -31.007 0.000 3.478) 31.202 21.005 ( 4.904 -0.000 4.900) 6.933 22.740 ( -5.738 0.000 -1.814) 6.018 ======================= Grid point 565 (210/216) ======================= q-point: ( 0.36 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 0.000 7.922 -0.000) 7.922 2.118 ( -0.000 -15.267 0.000) 15.267 2.638 ( 0.000 17.799 -0.000) 17.799 2.878 ( 0.000 16.098 -0.000) 16.098 4.058 ( -0.000 -53.035 0.000) 53.035 5.153 ( 0.000 1.707 -0.000) 1.707 5.702 ( 0.000 22.655 -0.000) 22.655 6.011 ( -0.000 -19.493 0.000) 19.493 6.190 ( -0.000 -6.371 0.000) 6.371 6.222 ( 0.000 36.017 -0.000) 36.017 6.690 ( 0.000 4.984 -0.000) 4.984 6.821 ( 0.000 23.986 -0.000) 23.986 7.027 ( 0.000 1.562 -0.000) 1.562 7.377 ( -0.000 -10.170 0.000) 10.170 7.696 ( 0.000 14.256 -0.000) 14.256 7.897 ( -0.000 -7.178 0.000) 7.178 8.022 ( 0.000 19.248 -0.000) 19.248 8.984 ( -0.000 -18.147 0.000) 18.147 9.411 ( -0.000 -3.265 0.000) 3.265 9.736 ( -0.000 -4.619 0.000) 4.619 9.777 ( 0.000 7.342 -0.000) 7.342 10.172 ( 0.000 5.142 -0.000) 5.142 10.363 ( -0.000 -19.256 0.000) 19.256 11.281 ( 0.000 2.820 -0.000) 2.820 11.295 ( 0.000 13.024 -0.000) 13.024 12.226 ( -0.000 -16.648 0.000) 16.648 13.157 ( -0.000 -27.066 0.000) 27.066 15.164 ( -0.000 -4.314 0.000) 4.314 15.886 ( 0.000 8.088 -0.000) 8.088 17.329 ( -0.000 -3.723 0.000) 3.723 17.361 ( 0.000 18.022 -0.000) 18.022 18.165 ( 0.000 3.686 -0.000) 3.686 19.028 ( -0.000 -19.692 0.000) 19.692 19.046 ( 0.000 13.253 -0.000) 13.253 21.093 ( -0.000 -5.707 0.000) 5.707 22.616 ( 0.000 4.246 -0.000) 4.246 ======================= Grid point 566 (211/216) ======================= q-point: ( 0.45 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -0.000 -12.444 -2.929) 12.784 1.987 ( 0.000 7.900 13.287) 15.458 2.822 ( 0.000 12.678 -2.920) 13.010 3.058 ( 0.000 11.151 -0.108) 11.151 3.366 ( -0.000 -46.550 -3.017) 46.648 5.045 ( -0.000 3.835 -16.699) 17.134 5.763 ( -0.000 -16.034 -1.244) 16.082 6.036 ( 0.000 6.940 1.648) 7.133 6.119 ( 0.000 3.899 5.389) 6.651 6.604 ( 0.000 24.745 -5.712) 25.396 6.791 ( 0.000 8.422 1.573) 8.567 7.000 ( -0.000 8.050 -4.898) 9.423 7.156 ( 0.000 11.092 4.917) 12.133 7.255 ( -0.000 -7.052 -0.325) 7.060 7.825 ( 0.000 7.588 -0.557) 7.609 7.859 ( 0.000 -3.948 4.601) 6.063 8.242 ( 0.000 11.974 -0.687) 11.994 8.749 ( -0.000 -9.468 -4.291) 10.395 9.363 ( -0.000 -2.906 -2.226) 3.660 9.732 ( 0.000 -3.475 7.963) 8.688 9.893 ( 0.000 3.196 4.221) 5.294 10.134 ( -0.000 -16.412 3.784) 16.842 10.270 ( 0.000 5.893 3.888) 7.059 11.266 ( -0.000 2.763 -7.191) 7.704 11.472 ( 0.000 16.931 -2.379) 17.097 11.936 ( -0.000 -16.075 -8.647) 18.253 12.834 ( -0.000 -30.562 6.693) 31.286 15.150 ( 0.000 -2.406 4.807) 5.375 15.977 ( 0.000 5.200 -0.095) 5.201 17.295 ( 0.000 -2.656 1.130) 2.886 17.595 ( 0.000 18.712 -2.393) 18.864 18.199 ( -0.000 2.601 -1.184) 2.858 18.690 ( -0.000 -19.968 -9.199) 21.985 19.217 ( 0.000 9.251 2.005) 9.466 21.043 ( 0.000 -3.797 1.910) 4.250 22.662 ( 0.000 3.376 -0.662) 3.441 ======================= Grid point 567 (212/216) ======================= q-point: (-0.45 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -0.000 -7.322 -6.051) 9.499 2.329 ( 0.000 5.668 21.322) 22.062 2.797 ( -0.000 -28.512 -5.450) 29.029 2.886 ( -0.000 6.177 -6.035) 8.636 3.167 ( 0.000 5.643 -0.220) 5.647 4.830 ( -0.000 3.218 -20.942) 21.188 5.564 ( -0.000 -9.378 -2.720) 9.764 5.920 ( -0.000 -2.247 -10.455) 10.694 6.393 ( 0.000 6.742 10.730) 12.672 6.730 ( -0.000 9.969 -6.089) 11.682 6.885 ( -0.000 6.040 -5.611) 8.244 7.002 ( -0.000 2.417 -4.760) 5.338 7.177 ( 0.000 -3.221 1.450) 3.532 7.336 ( 0.000 7.166 0.331) 7.174 7.881 ( 0.000 0.378 2.869) 2.894 7.968 ( 0.000 3.835 10.150) 10.851 8.266 ( -0.000 -2.382 -2.250) 3.277 8.677 ( -0.000 4.693 -4.062) 6.207 9.263 ( -0.000 -4.746 -4.186) 6.328 9.835 ( 0.000 -0.440 8.638) 8.649 9.875 ( -0.000 -7.132 1.202) 7.233 10.161 ( 0.000 -1.498 13.906) 13.986 10.442 ( 0.000 5.394 9.743) 11.137 11.170 ( -0.000 2.043 -10.746) 10.939 11.612 ( -0.000 -10.359 -11.448) 15.440 11.702 ( 0.000 24.128 -2.580) 24.266 12.493 ( -0.000 -33.983 4.946) 34.341 15.232 ( 0.000 -0.257 9.042) 9.046 16.014 ( -0.000 1.688 -0.944) 1.934 17.291 ( 0.000 -1.361 2.218) 2.602 17.760 ( -0.000 17.135 -9.653) 19.667 18.200 ( -0.000 1.321 -2.321) 2.671 18.272 ( -0.000 -18.688 -12.525) 22.497 19.339 ( 0.000 5.175 1.543) 5.400 21.051 ( 0.000 -1.737 4.684) 4.995 22.686 ( -0.000 1.991 -1.155) 2.302 ======================= Grid point 568 (213/216) ======================= q-point: (-0.36 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -0.000 -0.000 -8.930) 8.930 2.504 ( -0.000 -0.000 -8.644) 8.644 2.644 ( 0.000 0.000 12.711) 12.711 2.848 ( -0.000 -0.000 -0.978) 0.978 3.203 ( 0.000 0.000 0.190) 0.190 4.552 ( -0.000 -0.000 -22.195) 22.195 5.458 ( -0.000 -0.000 -2.780) 2.780 5.720 ( -0.000 -0.000 -15.901) 15.901 6.562 ( 0.000 0.000 7.678) 7.678 6.738 ( -0.000 -0.000 -3.220) 3.220 6.803 ( -0.000 -0.000 -8.298) 8.298 6.948 ( -0.000 -0.000 -4.399) 4.399 7.184 ( 0.000 0.000 0.610) 0.610 7.355 ( -0.000 -0.000 -3.212) 3.212 7.944 ( 0.000 0.000 4.847) 4.847 8.171 ( 0.000 0.000 13.482) 13.482 8.227 ( -0.000 -0.000 -0.025) 0.025 8.658 ( -0.000 -0.000 -4.138) 4.138 9.161 ( -0.000 -0.000 -3.870) 3.870 9.857 ( 0.000 0.000 3.370) 3.370 9.916 ( 0.000 0.000 2.793) 2.793 10.367 ( 0.000 0.000 16.264) 16.264 10.635 ( 0.000 0.000 10.021) 10.021 11.045 ( -0.000 -0.000 -7.640) 7.640 11.384 ( -0.000 -0.000 -10.824) 10.824 12.045 ( -0.000 -0.000 -0.942) 0.942 12.093 ( 0.000 0.000 1.248) 1.248 15.368 ( 0.000 0.000 9.753) 9.753 16.009 ( -0.000 -0.000 -0.599) 0.599 17.319 ( 0.000 0.000 3.126) 3.126 17.656 ( -0.000 -0.000 -25.051) 25.051 17.990 ( -0.000 -0.000 -6.067) 6.067 18.170 ( -0.000 -0.000 -3.261) 3.261 19.385 ( -0.000 -0.000 -0.232) 0.232 21.128 ( 0.000 0.000 8.097) 8.097 22.679 ( -0.000 -0.000 -1.970) 1.970 ======================= Grid point 666 (214/216) ======================= q-point: (-0.45 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 5.382 -0.000 -0.000) 5.382 1.961 ( -27.133 0.000 0.000) 27.133 2.646 ( 2.403 -0.000 -0.000) 2.403 2.990 ( 4.431 -0.000 -0.000) 4.431 3.243 ( -4.666 0.000 0.000) 4.666 5.208 ( -1.246 0.000 0.000) 1.246 5.535 ( 2.141 -0.000 -0.000) 2.141 6.046 ( 0.455 -0.000 -0.000) 0.455 6.266 ( -3.161 0.000 0.000) 3.161 6.875 ( -0.697 0.000 0.000) 0.697 6.933 ( 12.679 -0.000 -0.000) 12.679 7.010 ( 12.727 -0.000 -0.000) 12.727 7.249 ( -9.738 0.000 0.000) 9.738 7.398 ( 0.829 -0.000 -0.000) 0.829 7.831 ( -10.105 0.000 0.000) 10.105 7.953 ( -9.175 0.000 0.000) 9.175 8.278 ( -1.981 0.000 0.000) 1.981 8.827 ( -2.393 0.000 0.000) 2.393 9.389 ( 0.868 -0.000 -0.000) 0.868 9.605 ( -1.858 0.000 0.000) 1.858 9.818 ( -3.885 0.000 0.000) 3.885 9.942 ( -1.868 0.000 0.000) 1.868 10.298 ( 2.687 -0.000 -0.000) 2.687 11.374 ( -0.482 0.000 0.000) 0.482 11.717 ( 1.546 -0.000 -0.000) 1.546 12.013 ( -1.099 0.000 0.000) 1.099 12.088 ( -0.947 0.000 0.000) 0.947 15.076 ( -0.575 0.000 0.000) 0.575 16.038 ( 4.150 -0.000 -0.000) 4.150 16.459 ( 78.254 -0.000 -0.000) 78.254 17.937 ( 36.215 -0.000 -0.000) 36.215 18.135 ( 1.068 -0.000 -0.000) 1.068 18.908 ( -67.058 0.000 0.000) 67.058 19.576 ( -27.178 0.000 0.000) 27.178 20.943 ( 5.063 -0.000 -0.000) 5.063 22.765 ( -7.343 0.000 0.000) 7.343 ======================= Grid point 676 (215/216) ======================= q-point: ( 0.45 -0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -0.000 -6.978 0.000) 6.978 1.969 ( 0.000 4.327 -0.000) 4.327 2.867 ( -0.000 -29.381 0.000) 29.381 2.976 ( 0.000 6.859 -0.000) 6.859 3.172 ( 0.000 5.792 -0.000) 5.792 5.192 ( 0.000 0.967 -0.000) 0.967 5.608 ( -0.000 -8.556 0.000) 8.556 6.066 ( -0.000 -2.573 0.000) 2.573 6.171 ( 0.000 10.484 -0.000) 10.484 6.844 ( 0.000 4.067 -0.000) 4.067 6.970 ( 0.000 18.064 -0.000) 18.064 7.073 ( 0.000 2.153 -0.000) 2.153 7.168 ( -0.000 -5.518 0.000) 5.518 7.319 ( 0.000 11.999 -0.000) 11.999 7.762 ( -0.000 -2.470 0.000) 2.470 7.893 ( 0.000 0.578 -0.000) 0.578 8.303 ( -0.000 -3.141 0.000) 3.141 8.754 ( 0.000 5.298 -0.000) 5.298 9.386 ( 0.000 0.878 -0.000) 0.878 9.613 ( -0.000 -3.104 0.000) 3.104 9.889 ( -0.000 -13.583 0.000) 13.583 9.911 ( 0.000 2.639 -0.000) 2.639 10.297 ( 0.000 2.916 -0.000) 2.916 11.354 ( 0.000 2.265 -0.000) 2.265 11.734 ( 0.000 20.752 -0.000) 20.752 11.808 ( -0.000 -11.377 0.000) 11.377 12.402 ( -0.000 -28.173 0.000) 28.173 15.083 ( -0.000 -1.645 0.000) 1.645 16.037 ( 0.000 3.037 -0.000) 3.037 17.260 ( -0.000 -1.398 0.000) 1.398 17.885 ( 0.000 21.181 -0.000) 21.181 18.233 ( 0.000 1.361 -0.000) 1.361 18.469 ( -0.000 -21.946 0.000) 21.946 19.300 ( 0.000 5.204 -0.000) 5.204 20.992 ( -0.000 -1.937 0.000) 1.937 22.701 ( 0.000 1.782 -0.000) 1.782 ======================= Grid point 677 (216/216) ======================= q-point: (-0.45 -0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.16e-06 1.16e-06 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -0.000 -0.000 -3.230) 3.230 2.105 ( 0.000 0.000 14.621) 14.621 2.648 ( -0.000 -0.000 -2.252) 2.252 2.998 ( -0.000 -0.000 -3.496) 3.496 3.209 ( -0.000 -0.000 -0.262) 0.262 5.096 ( -0.000 -0.000 -13.845) 13.845 5.537 ( -0.000 -0.000 -1.968) 1.968 6.014 ( -0.000 -0.000 -5.154) 5.154 6.307 ( 0.000 0.000 8.349) 8.349 6.847 ( -0.000 -0.000 -3.299) 3.299 7.049 ( -0.000 -0.000 -6.586) 6.586 7.079 ( -0.000 -0.000 -3.710) 3.710 7.125 ( 0.000 0.000 1.823) 1.823 7.402 ( -0.000 -0.000 -0.383) 0.383 7.790 ( 0.000 0.000 5.776) 5.776 7.912 ( 0.000 0.000 3.480) 3.480 8.257 ( -0.000 -0.000 -1.025) 1.025 8.782 ( -0.000 -0.000 -3.672) 3.672 9.322 ( -0.000 -0.000 -7.305) 7.305 9.691 ( 0.000 0.000 10.747) 10.747 9.797 ( 0.000 0.000 1.016) 1.016 9.992 ( 0.000 0.000 8.750) 8.750 10.359 ( 0.000 0.000 6.101) 6.101 11.318 ( -0.000 -0.000 -7.336) 7.336 11.669 ( -0.000 -0.000 -7.699) 7.699 12.024 ( 0.000 0.000 2.061) 2.061 12.081 ( 0.000 0.000 0.026) 0.026 15.116 ( 0.000 0.000 6.153) 6.153 16.048 ( -0.000 -0.000 -1.328) 1.328 17.258 ( 0.000 0.000 1.166) 1.166 18.123 ( -0.000 -0.000 -2.796) 2.796 18.141 ( -0.000 -0.000 -9.258) 9.258 18.234 ( -0.000 -0.000 -1.223) 1.223 19.348 ( 0.000 0.000 1.716) 1.716 20.993 ( 0.000 0.000 2.058) 2.058 22.710 ( -0.000 -0.000 -0.452) 0.452 =================== 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 3/47916 10.0 2210.509 2201.975 1452.578 -0.000 0.000 0.000 3/47916 20.0 808.528 760.773 576.395 -0.000 0.000 0.000 3/47916 30.0 438.025 429.964 318.845 -0.000 0.000 0.000 3/47916 40.0 261.288 269.715 187.066 -0.000 0.000 0.000 3/47916 50.0 164.919 176.875 115.816 -0.000 0.000 0.000 3/47916 60.0 110.858 122.714 76.477 -0.000 0.000 0.000 3/47916 70.0 79.182 89.994 53.806 -0.000 0.000 0.000 3/47916 80.0 59.638 69.243 40.001 -0.000 0.000 0.000 3/47916 90.0 46.947 55.425 31.120 -0.000 0.000 0.000 3/47916 100.0 38.312 45.806 25.116 -0.000 0.000 0.000 3/47916 110.0 32.190 38.844 20.877 -0.000 0.000 0.000 3/47916 120.0 27.695 33.631 17.773 -0.000 0.000 0.000 3/47916 130.0 24.291 29.615 15.427 -0.000 0.000 0.000 3/47916 140.0 21.647 26.442 13.606 -0.000 0.000 0.000 3/47916 150.0 19.544 23.882 12.160 -0.000 0.000 0.000 3/47916 160.0 17.839 21.778 10.988 -0.000 0.000 0.000 3/47916 170.0 16.431 20.020 10.022 -0.000 0.000 0.000 3/47916 180.0 15.251 18.532 9.214 -0.000 0.000 0.000 3/47916 190.0 14.248 17.256 8.529 -0.000 0.000 0.000 3/47916 200.0 13.385 16.150 7.941 -0.000 0.000 0.000 3/47916 210.0 12.634 15.183 7.432 -0.000 0.000 0.000 3/47916 220.0 11.974 14.330 6.986 -0.000 0.000 0.000 3/47916 230.0 11.388 13.571 6.593 -0.000 0.000 0.000 3/47916 240.0 10.866 12.893 6.244 -0.000 0.000 0.000 3/47916 250.0 10.395 12.282 5.932 -0.000 0.000 0.000 3/47916 260.0 9.968 11.729 5.651 -0.000 0.000 0.000 3/47916 270.0 9.580 11.226 5.397 -0.000 0.000 0.000 3/47916 280.0 9.224 10.766 5.166 -0.000 0.000 0.000 3/47916 290.0 8.897 10.344 4.955 -0.000 0.000 0.000 3/47916 300.0 8.594 9.955 4.761 -0.000 0.000 0.000 3/47916 310.0 8.314 9.596 4.583 -0.000 0.000 0.000 3/47916 320.0 8.052 9.263 4.418 -0.000 0.000 0.000 3/47916 330.0 7.808 8.953 4.265 -0.000 0.000 0.000 3/47916 340.0 7.580 8.664 4.123 -0.000 0.000 0.000 3/47916 350.0 7.365 8.394 3.991 -0.000 0.000 0.000 3/47916 360.0 7.163 8.140 3.867 -0.000 0.000 0.000 3/47916 370.0 6.973 7.902 3.751 -0.000 0.000 0.000 3/47916 380.0 6.793 7.679 3.642 -0.000 0.000 0.000 3/47916 390.0 6.622 7.467 3.539 -0.000 0.000 0.000 3/47916 400.0 6.460 7.268 3.443 -0.000 0.000 0.000 3/47916 410.0 6.306 7.079 3.351 -0.000 0.000 0.000 3/47916 420.0 6.160 6.900 3.265 -0.000 0.000 0.000 3/47916 430.0 6.020 6.730 3.183 -0.000 0.000 0.000 3/47916 440.0 5.887 6.569 3.105 -0.000 0.000 0.000 3/47916 450.0 5.760 6.415 3.031 -0.000 0.000 0.000 3/47916 460.0 5.638 6.269 2.961 -0.000 0.000 0.000 3/47916 470.0 5.521 6.129 2.894 -0.000 0.000 0.000 3/47916 480.0 5.410 5.995 2.830 -0.000 0.000 0.000 3/47916 490.0 5.302 5.868 2.769 -0.000 0.000 0.000 3/47916 500.0 5.199 5.745 2.710 -0.000 0.000 0.000 3/47916 510.0 5.100 5.628 2.654 -0.000 0.000 0.000 3/47916 520.0 5.005 5.516 2.601 -0.000 0.000 0.000 3/47916 530.0 4.913 5.408 2.549 -0.000 0.000 0.000 3/47916 540.0 4.825 5.304 2.500 -0.000 0.000 0.000 3/47916 550.0 4.739 5.205 2.452 -0.000 0.000 0.000 3/47916 560.0 4.657 5.109 2.407 -0.000 0.000 0.000 3/47916 570.0 4.578 5.016 2.363 -0.000 0.000 0.000 3/47916 580.0 4.501 4.927 2.320 -0.000 0.000 0.000 3/47916 590.0 4.426 4.841 2.279 -0.000 0.000 0.000 3/47916 600.0 4.355 4.758 2.240 -0.000 0.000 0.000 3/47916 610.0 4.285 4.678 2.202 -0.000 0.000 0.000 3/47916 620.0 4.218 4.601 2.165 -0.000 0.000 0.000 3/47916 630.0 4.152 4.526 2.130 -0.000 0.000 0.000 3/47916 640.0 4.089 4.453 2.095 -0.000 0.000 0.000 3/47916 650.0 4.028 4.383 2.062 -0.000 0.000 0.000 3/47916 660.0 3.968 4.315 2.030 -0.000 0.000 0.000 3/47916 670.0 3.910 4.250 1.999 -0.000 0.000 0.000 3/47916 680.0 3.854 4.186 1.969 -0.000 0.000 0.000 3/47916 690.0 3.800 4.124 1.939 -0.000 0.000 0.000 3/47916 700.0 3.746 4.064 1.911 -0.000 0.000 0.000 3/47916 710.0 3.695 4.005 1.883 -0.000 0.000 0.000 3/47916 720.0 3.645 3.949 1.856 -0.000 0.000 0.000 3/47916 730.0 3.596 3.894 1.830 -0.000 0.000 0.000 3/47916 740.0 3.548 3.840 1.805 -0.000 0.000 0.000 3/47916 750.0 3.502 3.788 1.780 -0.000 0.000 0.000 3/47916 760.0 3.457 3.737 1.756 -0.000 0.000 0.000 3/47916 770.0 3.413 3.688 1.733 -0.000 0.000 0.000 3/47916 780.0 3.370 3.640 1.711 -0.000 0.000 0.000 3/47916 790.0 3.328 3.593 1.688 -0.000 0.000 0.000 3/47916 800.0 3.287 3.548 1.667 -0.000 0.000 0.000 3/47916 810.0 3.247 3.503 1.646 -0.000 0.000 0.000 3/47916 820.0 3.208 3.460 1.625 -0.000 0.000 0.000 3/47916 830.0 3.170 3.418 1.606 -0.000 0.000 0.000 3/47916 840.0 3.133 3.377 1.586 -0.000 0.000 0.000 3/47916 850.0 3.097 3.336 1.567 -0.000 0.000 0.000 3/47916 860.0 3.062 3.297 1.549 -0.000 0.000 0.000 3/47916 870.0 3.027 3.259 1.531 -0.000 0.000 0.000 3/47916 880.0 2.993 3.221 1.513 -0.000 0.000 0.000 3/47916 890.0 2.960 3.185 1.496 -0.000 0.000 0.000 3/47916 900.0 2.928 3.149 1.479 -0.000 0.000 0.000 3/47916 910.0 2.896 3.114 1.462 -0.000 0.000 0.000 3/47916 920.0 2.865 3.080 1.446 -0.000 0.000 0.000 3/47916 930.0 2.835 3.046 1.430 -0.000 0.000 0.000 3/47916 940.0 2.805 3.013 1.415 -0.000 0.000 0.000 3/47916 950.0 2.776 2.981 1.400 -0.000 0.000 0.000 3/47916 960.0 2.748 2.950 1.385 -0.000 0.000 0.000 3/47916 970.0 2.720 2.919 1.371 -0.000 0.000 0.000 3/47916 980.0 2.692 2.889 1.356 -0.000 0.000 0.000 3/47916 990.0 2.665 2.860 1.343 -0.000 0.000 0.000 3/47916 1000.0 2.639 2.831 1.329 -0.000 0.000 0.000 3/47916 Thermal conductivity related properties were written into "kappa-m111111.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:38:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|