----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:37:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.795849595345277 1.036834247296674 9.584035066666655 b -1.795849595345274 1.036834247296674 9.584035066666655 c 0.000000000000001 -2.073668494593351 9.584035066666655 Atomic positions (fractional): *1 Zr 0.12137656975465 0.12137656975466 0.12137656975465 91.224 2 Zr 0.87862343024534 0.87862343024534 0.87862343024535 91.224 *3 N 0.19638014268497 0.19638014268497 0.19638014268497 14.007 4 N 0.80361985731503 0.80361985731503 0.80361985731503 14.007 *5 Cl 0.39264172993965 0.39264172993965 0.39264172993965 35.453 6 Cl 0.60735827006035 0.60735827006035 0.60735827006035 35.453 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.591699190690551 0.000000000000000 0.000000000000000 b -1.795849595345275 3.110502741890025 0.000000000000000 c 0.000000000000000 0.000000000000000 28.752105199999995 Atomic positions (fractional): *1 Zr 0.00000000000000 0.00000000000000 0.12137656975465 91.224 > 1 2 Zr 0.66666666666667 0.33333333333333 0.21195676357868 91.224 > 2 3 Zr 0.66666666666667 0.33333333333333 0.45470990308799 91.224 > 1 4 Zr 0.33333333333333 0.66666666666667 0.54529009691201 91.224 > 2 5 Zr 0.33333333333333 0.66666666666667 0.78804323642132 91.224 > 1 6 Zr 0.00000000000000 0.00000000000000 0.87862343024534 91.224 > 2 *7 N 0.00000000000000 0.00000000000000 0.19638014268497 14.007 > 3 8 N 0.66666666666667 0.33333333333333 0.13695319064836 14.007 > 4 9 N 0.66666666666667 0.33333333333333 0.52971347601831 14.007 > 3 10 N 0.33333333333333 0.66666666666667 0.47028652398169 14.007 > 4 11 N 0.33333333333333 0.66666666666667 0.86304680935164 14.007 > 3 12 N 0.00000000000000 0.00000000000000 0.80361985731503 14.007 > 4 *13 Cl 0.33333333333333 0.66666666666667 0.05930839660632 35.453 > 5 14 Cl 0.33333333333333 0.66666666666667 0.27402493672701 35.453 > 6 15 Cl 0.00000000000000 0.00000000000000 0.39264172993965 35.453 > 5 16 Cl 0.00000000000000 0.00000000000000 0.60735827006035 35.453 > 6 17 Cl 0.66666666666667 0.33333333333333 0.72597506327299 35.453 > 5 18 Cl 0.66666666666667 0.33333333333333 0.94069160339368 35.453 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.183398381381102 0.000000000000000 0.000000000000000 b -3.591699190690550 6.221005483780050 0.000000000000000 c 0.000000000000000 0.000000000000000 28.752105199999995 Atomic positions (fractional): *1 Zr 0.00000000000000 0.00000000000000 0.12137656975465 91.224 > 1 2 Zr 0.50000000000000 0.00000000000000 0.12137656975465 91.224 > 1 3 Zr 0.00000000000000 0.50000000000000 0.12137656975465 91.224 > 1 4 Zr 0.50000000000000 0.50000000000000 0.12137656975465 91.224 > 1 5 Zr 0.33333333333333 0.16666666666667 0.21195676357868 91.224 > 2 6 Zr 0.83333333333333 0.16666666666667 0.21195676357868 91.224 > 2 7 Zr 0.33333333333333 0.66666666666667 0.21195676357868 91.224 > 2 8 Zr 0.83333333333333 0.66666666666667 0.21195676357868 91.224 > 2 9 Zr 0.33333333333333 0.16666666666667 0.45470990308799 91.224 > 1 10 Zr 0.83333333333333 0.16666666666667 0.45470990308799 91.224 > 1 11 Zr 0.33333333333333 0.66666666666667 0.45470990308799 91.224 > 1 12 Zr 0.83333333333333 0.66666666666667 0.45470990308799 91.224 > 1 13 Zr 0.16666666666667 0.33333333333333 0.54529009691201 91.224 > 2 14 Zr 0.66666666666667 0.33333333333333 0.54529009691201 91.224 > 2 15 Zr 0.16666666666667 0.83333333333333 0.54529009691201 91.224 > 2 16 Zr 0.66666666666667 0.83333333333333 0.54529009691201 91.224 > 2 17 Zr 0.16666666666667 0.33333333333333 0.78804323642132 91.224 > 1 18 Zr 0.66666666666667 0.33333333333333 0.78804323642132 91.224 > 1 19 Zr 0.16666666666667 0.83333333333333 0.78804323642132 91.224 > 1 20 Zr 0.66666666666667 0.83333333333333 0.78804323642132 91.224 > 1 21 Zr 0.00000000000000 0.00000000000000 0.87862343024534 91.224 > 2 22 Zr 0.50000000000000 0.00000000000000 0.87862343024534 91.224 > 2 23 Zr 0.00000000000000 0.50000000000000 0.87862343024534 91.224 > 2 24 Zr 0.50000000000000 0.50000000000000 0.87862343024534 91.224 > 2 *25 N 0.00000000000000 0.00000000000000 0.19638014268497 14.007 > 3 26 N 0.50000000000000 0.00000000000000 0.19638014268497 14.007 > 3 27 N 0.00000000000000 0.50000000000000 0.19638014268497 14.007 > 3 28 N 0.50000000000000 0.50000000000000 0.19638014268497 14.007 > 3 29 N 0.33333333333333 0.16666666666667 0.13695319064836 14.007 > 4 30 N 0.83333333333333 0.16666666666667 0.13695319064836 14.007 > 4 31 N 0.33333333333333 0.66666666666667 0.13695319064836 14.007 > 4 32 N 0.83333333333333 0.66666666666667 0.13695319064836 14.007 > 4 33 N 0.33333333333333 0.16666666666667 0.52971347601831 14.007 > 3 34 N 0.83333333333333 0.16666666666667 0.52971347601831 14.007 > 3 35 N 0.33333333333333 0.66666666666667 0.52971347601831 14.007 > 3 36 N 0.83333333333333 0.66666666666667 0.52971347601831 14.007 > 3 37 N 0.16666666666667 0.33333333333333 0.47028652398169 14.007 > 4 38 N 0.66666666666667 0.33333333333333 0.47028652398169 14.007 > 4 39 N 0.16666666666667 0.83333333333333 0.47028652398169 14.007 > 4 40 N 0.66666666666667 0.83333333333333 0.47028652398169 14.007 > 4 41 N 0.16666666666667 0.33333333333333 0.86304680935164 14.007 > 3 42 N 0.66666666666667 0.33333333333333 0.86304680935164 14.007 > 3 43 N 0.16666666666667 0.83333333333333 0.86304680935164 14.007 > 3 44 N 0.66666666666667 0.83333333333333 0.86304680935164 14.007 > 3 45 N 0.00000000000000 0.00000000000000 0.80361985731503 14.007 > 4 46 N 0.50000000000000 0.00000000000000 0.80361985731503 14.007 > 4 47 N 0.00000000000000 0.50000000000000 0.80361985731503 14.007 > 4 48 N 0.50000000000000 0.50000000000000 0.80361985731503 14.007 > 4 *49 Cl 0.16666666666667 0.33333333333333 0.05930839660632 35.453 > 5 50 Cl 0.66666666666667 0.33333333333333 0.05930839660632 35.453 > 5 51 Cl 0.16666666666667 0.83333333333333 0.05930839660632 35.453 > 5 52 Cl 0.66666666666667 0.83333333333333 0.05930839660632 35.453 > 5 53 Cl 0.16666666666667 0.33333333333333 0.27402493672701 35.453 > 6 54 Cl 0.66666666666667 0.33333333333333 0.27402493672701 35.453 > 6 55 Cl 0.16666666666667 0.83333333333333 0.27402493672701 35.453 > 6 56 Cl 0.66666666666667 0.83333333333333 0.27402493672701 35.453 > 6 57 Cl 0.00000000000000 0.00000000000000 0.39264172993965 35.453 > 5 58 Cl 0.50000000000000 0.00000000000000 0.39264172993965 35.453 > 5 59 Cl 0.00000000000000 0.50000000000000 0.39264172993965 35.453 > 5 60 Cl 0.50000000000000 0.50000000000000 0.39264172993965 35.453 > 5 61 Cl 0.00000000000000 0.00000000000000 0.60735827006035 35.453 > 6 62 Cl 0.50000000000000 0.00000000000000 0.60735827006035 35.453 > 6 63 Cl 0.00000000000000 0.50000000000000 0.60735827006035 35.453 > 6 64 Cl 0.50000000000000 0.50000000000000 0.60735827006035 35.453 > 6 65 Cl 0.33333333333333 0.16666666666667 0.72597506327299 35.453 > 5 66 Cl 0.83333333333333 0.16666666666667 0.72597506327299 35.453 > 5 67 Cl 0.33333333333333 0.66666666666667 0.72597506327299 35.453 > 5 68 Cl 0.83333333333333 0.66666666666667 0.72597506327299 35.453 > 5 69 Cl 0.33333333333333 0.16666666666667 0.94069160339368 35.453 > 6 70 Cl 0.83333333333333 0.16666666666667 0.94069160339368 35.453 > 6 71 Cl 0.33333333333333 0.66666666666667 0.94069160339368 35.453 > 6 72 Cl 0.83333333333333 0.66666666666667 0.94069160339368 35.453 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.1336266 0.0000000 0.0000000 0.0000000 6.1336266 0.0000000 0.0000000 0.0000000 3.7429255 -------------------------- Born effective charges -------------------------- 1 Zr 5.2330402 0.0000000 0.0000000 0.0000000 5.2330402 0.0000000 0.0000000 0.0000000 2.1475427 2 Zr 5.2330402 0.0000000 0.0000000 0.0000000 5.2330402 0.0000000 0.0000000 0.0000000 2.1475427 3 N -3.9370614 -0.0000000 0.0000000 0.0000000 -3.9370614 0.0000000 0.0000000 0.0000000 -1.3489106 4 N -3.9370614 -0.0000000 0.0000000 0.0000000 -3.9370614 0.0000000 0.0000000 0.0000000 -1.3489106 5 Cl -1.2959787 0.0000000 0.0000000 0.0000000 -1.2959787 0.0000000 0.0000000 0.0000000 -0.7986320 6 Cl -1.2959787 0.0000000 0.0000000 0.0000000 -1.2959787 0.0000000 0.0000000 0.0000000 -0.7986320 ---------------------------------------------------------------------------- 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: 216/216 Permutation basis: 2448/2448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 219 Number of blocks in projector: 294 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 99 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (219, 213), data: False |-- (54, 54), data: True |-- (66, 63), data: True |-- (99, 96), data: True ----- Solver_atoms: 1 -- 72 / 72 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 80 / 80 - Time: 0.073 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.077 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 216/216 Permutation basis: 2448/2448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 219 Number of blocks in projector: 294 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 99 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (219, 213), data: False |-- (54, 54), data: True |-- (66, 63), data: True |-- (99, 96), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:37:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:37:07]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.795849595345277 1.036834247296674 9.584035066666655 b -1.795849595345274 1.036834247296674 9.584035066666655 c 0.000000000000001 -2.073668494593351 9.584035066666655 Atomic positions (fractional): 1 Zr 0.12137656975465 0.12137656975466 0.12137656975465 91.224 2 Zr 0.87862343024534 0.87862343024534 0.87862343024535 91.224 3 N 0.19638014268497 0.19638014268497 0.19638014268497 14.007 4 N 0.80361985731503 0.80361985731503 0.80361985731503 14.007 5 Cl 0.39264172993965 0.39264172993965 0.39264172993965 35.453 6 Cl 0.60735827006035 0.60735827006035 0.60735827006035 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.183398381381102 0.000000000000000 0.000000000000000 b -3.591699190690550 6.221005483780050 0.000000000000000 c 0.000000000000000 0.000000000000000 28.752105199999995 Atomic positions (fractional): 1 Zr 0.00000000000000 0.00000000000000 0.12137656975465 91.224 > 1 2 Zr 0.50000000000000 0.00000000000000 0.12137656975465 91.224 > 1 3 Zr 0.00000000000000 0.50000000000000 0.12137656975465 91.224 > 1 4 Zr 0.50000000000000 0.50000000000000 0.12137656975465 91.224 > 1 5 Zr 0.33333333333333 0.16666666666667 0.21195676357868 91.224 > 5 6 Zr 0.83333333333333 0.16666666666667 0.21195676357868 91.224 > 5 7 Zr 0.33333333333333 0.66666666666667 0.21195676357868 91.224 > 5 8 Zr 0.83333333333333 0.66666666666667 0.21195676357868 91.224 > 5 9 Zr 0.33333333333333 0.16666666666667 0.45470990308799 91.224 > 1 10 Zr 0.83333333333333 0.16666666666667 0.45470990308799 91.224 > 1 11 Zr 0.33333333333333 0.66666666666667 0.45470990308799 91.224 > 1 12 Zr 0.83333333333333 0.66666666666667 0.45470990308799 91.224 > 1 13 Zr 0.16666666666667 0.33333333333333 0.54529009691201 91.224 > 5 14 Zr 0.66666666666667 0.33333333333333 0.54529009691201 91.224 > 5 15 Zr 0.16666666666667 0.83333333333333 0.54529009691201 91.224 > 5 16 Zr 0.66666666666667 0.83333333333333 0.54529009691201 91.224 > 5 17 Zr 0.16666666666667 0.33333333333333 0.78804323642132 91.224 > 1 18 Zr 0.66666666666667 0.33333333333333 0.78804323642132 91.224 > 1 19 Zr 0.16666666666667 0.83333333333333 0.78804323642132 91.224 > 1 20 Zr 0.66666666666667 0.83333333333333 0.78804323642132 91.224 > 1 21 Zr 0.00000000000000 0.00000000000000 0.87862343024534 91.224 > 5 22 Zr 0.50000000000000 0.00000000000000 0.87862343024534 91.224 > 5 23 Zr 0.00000000000000 0.50000000000000 0.87862343024534 91.224 > 5 24 Zr 0.50000000000000 0.50000000000000 0.87862343024534 91.224 > 5 25 N 0.00000000000000 0.00000000000000 0.19638014268497 14.007 > 25 26 N 0.50000000000000 0.00000000000000 0.19638014268497 14.007 > 25 27 N 0.00000000000000 0.50000000000000 0.19638014268497 14.007 > 25 28 N 0.50000000000000 0.50000000000000 0.19638014268497 14.007 > 25 29 N 0.33333333333333 0.16666666666667 0.13695319064836 14.007 > 29 30 N 0.83333333333333 0.16666666666667 0.13695319064836 14.007 > 29 31 N 0.33333333333333 0.66666666666667 0.13695319064836 14.007 > 29 32 N 0.83333333333333 0.66666666666667 0.13695319064836 14.007 > 29 33 N 0.33333333333333 0.16666666666667 0.52971347601831 14.007 > 25 34 N 0.83333333333333 0.16666666666667 0.52971347601831 14.007 > 25 35 N 0.33333333333333 0.66666666666667 0.52971347601831 14.007 > 25 36 N 0.83333333333333 0.66666666666667 0.52971347601831 14.007 > 25 37 N 0.16666666666667 0.33333333333333 0.47028652398169 14.007 > 29 38 N 0.66666666666667 0.33333333333333 0.47028652398169 14.007 > 29 39 N 0.16666666666667 0.83333333333333 0.47028652398169 14.007 > 29 40 N 0.66666666666667 0.83333333333333 0.47028652398169 14.007 > 29 41 N 0.16666666666667 0.33333333333333 0.86304680935164 14.007 > 25 42 N 0.66666666666667 0.33333333333333 0.86304680935164 14.007 > 25 43 N 0.16666666666667 0.83333333333333 0.86304680935164 14.007 > 25 44 N 0.66666666666667 0.83333333333333 0.86304680935164 14.007 > 25 45 N 0.00000000000000 0.00000000000000 0.80361985731503 14.007 > 29 46 N 0.50000000000000 0.00000000000000 0.80361985731503 14.007 > 29 47 N 0.00000000000000 0.50000000000000 0.80361985731503 14.007 > 29 48 N 0.50000000000000 0.50000000000000 0.80361985731503 14.007 > 29 49 Cl 0.16666666666667 0.33333333333333 0.05930839660632 35.453 > 49 50 Cl 0.66666666666667 0.33333333333333 0.05930839660632 35.453 > 49 51 Cl 0.16666666666667 0.83333333333333 0.05930839660632 35.453 > 49 52 Cl 0.66666666666667 0.83333333333333 0.05930839660632 35.453 > 49 53 Cl 0.16666666666667 0.33333333333333 0.27402493672701 35.453 > 53 54 Cl 0.66666666666667 0.33333333333333 0.27402493672701 35.453 > 53 55 Cl 0.16666666666667 0.83333333333333 0.27402493672701 35.453 > 53 56 Cl 0.66666666666667 0.83333333333333 0.27402493672701 35.453 > 53 57 Cl 0.00000000000000 0.00000000000000 0.39264172993965 35.453 > 49 58 Cl 0.50000000000000 0.00000000000000 0.39264172993965 35.453 > 49 59 Cl 0.00000000000000 0.50000000000000 0.39264172993965 35.453 > 49 60 Cl 0.50000000000000 0.50000000000000 0.39264172993965 35.453 > 49 61 Cl 0.00000000000000 0.00000000000000 0.60735827006035 35.453 > 53 62 Cl 0.50000000000000 0.00000000000000 0.60735827006035 35.453 > 53 63 Cl 0.00000000000000 0.50000000000000 0.60735827006035 35.453 > 53 64 Cl 0.50000000000000 0.50000000000000 0.60735827006035 35.453 > 53 65 Cl 0.33333333333333 0.16666666666667 0.72597506327299 35.453 > 49 66 Cl 0.83333333333333 0.16666666666667 0.72597506327299 35.453 > 49 67 Cl 0.33333333333333 0.66666666666667 0.72597506327299 35.453 > 49 68 Cl 0.83333333333333 0.66666666666667 0.72597506327299 35.453 > 49 69 Cl 0.33333333333333 0.16666666666667 0.94069160339368 35.453 > 53 70 Cl 0.83333333333333 0.16666666666667 0.94069160339368 35.453 > 53 71 Cl 0.33333333333333 0.66666666666667 0.94069160339368 35.453 > 53 72 Cl 0.83333333333333 0.66666666666667 0.94069160339368 35.453 > 53 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.1336266 0.0000000 0.0000000 0.0000000 6.1336266 0.0000000 0.0000000 0.0000000 3.7429255 -------------------------- Born effective charges -------------------------- 1 Zr 5.2330402 0.0000000 0.0000000 0.0000000 5.2330402 0.0000000 0.0000000 0.0000000 2.1475427 2 Zr 5.2330402 0.0000000 0.0000000 0.0000000 5.2330402 0.0000000 0.0000000 0.0000000 2.1475427 3 N -3.9370614 -0.0000000 0.0000000 0.0000000 -3.9370614 0.0000000 0.0000000 0.0000000 -1.3489106 4 N -3.9370614 -0.0000000 0.0000000 0.0000000 -3.9370614 0.0000000 0.0000000 0.0000000 -1.3489106 5 Cl -1.2959787 0.0000000 0.0000000 0.0000000 -1.2959787 0.0000000 0.0000000 0.0000000 -0.7986320 6 Cl -1.2959787 0.0000000 0.0000000 0.0000000 -1.2959787 0.0000000 0.0000000 0.0000000 -0.7986320 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: 0.00000021 (zzz) 0.00000021 (zzz) 0.00000021 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:37:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:37:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.795849595345277 1.036834247296674 9.584035066666655 b -1.795849595345274 1.036834247296674 9.584035066666655 c 0.000000000000001 -2.073668494593351 9.584035066666655 Atomic positions (fractional): 1 Zr 0.12137656975465 0.12137656975466 0.12137656975465 91.224 2 Zr 0.87862343024534 0.87862343024534 0.87862343024535 91.224 3 N 0.19638014268497 0.19638014268497 0.19638014268497 14.007 4 N 0.80361985731503 0.80361985731503 0.80361985731503 14.007 5 Cl 0.39264172993965 0.39264172993965 0.39264172993965 35.453 6 Cl 0.60735827006035 0.60735827006035 0.60735827006035 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.183398381381102 0.000000000000000 0.000000000000000 b -3.591699190690550 6.221005483780050 0.000000000000000 c 0.000000000000000 0.000000000000000 28.752105199999995 Atomic positions (fractional): 1 Zr 0.00000000000000 0.00000000000000 0.12137656975465 91.224 > 1 2 Zr 0.50000000000000 0.00000000000000 0.12137656975465 91.224 > 1 3 Zr 0.00000000000000 0.50000000000000 0.12137656975465 91.224 > 1 4 Zr 0.50000000000000 0.50000000000000 0.12137656975465 91.224 > 1 5 Zr 0.33333333333333 0.16666666666667 0.21195676357868 91.224 > 5 6 Zr 0.83333333333333 0.16666666666667 0.21195676357868 91.224 > 5 7 Zr 0.33333333333333 0.66666666666667 0.21195676357868 91.224 > 5 8 Zr 0.83333333333333 0.66666666666667 0.21195676357868 91.224 > 5 9 Zr 0.33333333333333 0.16666666666667 0.45470990308799 91.224 > 1 10 Zr 0.83333333333333 0.16666666666667 0.45470990308799 91.224 > 1 11 Zr 0.33333333333333 0.66666666666667 0.45470990308799 91.224 > 1 12 Zr 0.83333333333333 0.66666666666667 0.45470990308799 91.224 > 1 13 Zr 0.16666666666667 0.33333333333333 0.54529009691201 91.224 > 5 14 Zr 0.66666666666667 0.33333333333333 0.54529009691201 91.224 > 5 15 Zr 0.16666666666667 0.83333333333333 0.54529009691201 91.224 > 5 16 Zr 0.66666666666667 0.83333333333333 0.54529009691201 91.224 > 5 17 Zr 0.16666666666667 0.33333333333333 0.78804323642132 91.224 > 1 18 Zr 0.66666666666667 0.33333333333333 0.78804323642132 91.224 > 1 19 Zr 0.16666666666667 0.83333333333333 0.78804323642132 91.224 > 1 20 Zr 0.66666666666667 0.83333333333333 0.78804323642132 91.224 > 1 21 Zr 0.00000000000000 0.00000000000000 0.87862343024534 91.224 > 5 22 Zr 0.50000000000000 0.00000000000000 0.87862343024534 91.224 > 5 23 Zr 0.00000000000000 0.50000000000000 0.87862343024534 91.224 > 5 24 Zr 0.50000000000000 0.50000000000000 0.87862343024534 91.224 > 5 25 N 0.00000000000000 0.00000000000000 0.19638014268497 14.007 > 25 26 N 0.50000000000000 0.00000000000000 0.19638014268497 14.007 > 25 27 N 0.00000000000000 0.50000000000000 0.19638014268497 14.007 > 25 28 N 0.50000000000000 0.50000000000000 0.19638014268497 14.007 > 25 29 N 0.33333333333333 0.16666666666667 0.13695319064836 14.007 > 29 30 N 0.83333333333333 0.16666666666667 0.13695319064836 14.007 > 29 31 N 0.33333333333333 0.66666666666667 0.13695319064836 14.007 > 29 32 N 0.83333333333333 0.66666666666667 0.13695319064836 14.007 > 29 33 N 0.33333333333333 0.16666666666667 0.52971347601831 14.007 > 25 34 N 0.83333333333333 0.16666666666667 0.52971347601831 14.007 > 25 35 N 0.33333333333333 0.66666666666667 0.52971347601831 14.007 > 25 36 N 0.83333333333333 0.66666666666667 0.52971347601831 14.007 > 25 37 N 0.16666666666667 0.33333333333333 0.47028652398169 14.007 > 29 38 N 0.66666666666667 0.33333333333333 0.47028652398169 14.007 > 29 39 N 0.16666666666667 0.83333333333333 0.47028652398169 14.007 > 29 40 N 0.66666666666667 0.83333333333333 0.47028652398169 14.007 > 29 41 N 0.16666666666667 0.33333333333333 0.86304680935164 14.007 > 25 42 N 0.66666666666667 0.33333333333333 0.86304680935164 14.007 > 25 43 N 0.16666666666667 0.83333333333333 0.86304680935164 14.007 > 25 44 N 0.66666666666667 0.83333333333333 0.86304680935164 14.007 > 25 45 N 0.00000000000000 0.00000000000000 0.80361985731503 14.007 > 29 46 N 0.50000000000000 0.00000000000000 0.80361985731503 14.007 > 29 47 N 0.00000000000000 0.50000000000000 0.80361985731503 14.007 > 29 48 N 0.50000000000000 0.50000000000000 0.80361985731503 14.007 > 29 49 Cl 0.16666666666667 0.33333333333333 0.05930839660632 35.453 > 49 50 Cl 0.66666666666667 0.33333333333333 0.05930839660632 35.453 > 49 51 Cl 0.16666666666667 0.83333333333333 0.05930839660632 35.453 > 49 52 Cl 0.66666666666667 0.83333333333333 0.05930839660632 35.453 > 49 53 Cl 0.16666666666667 0.33333333333333 0.27402493672701 35.453 > 53 54 Cl 0.66666666666667 0.33333333333333 0.27402493672701 35.453 > 53 55 Cl 0.16666666666667 0.83333333333333 0.27402493672701 35.453 > 53 56 Cl 0.66666666666667 0.83333333333333 0.27402493672701 35.453 > 53 57 Cl 0.00000000000000 0.00000000000000 0.39264172993965 35.453 > 49 58 Cl 0.50000000000000 0.00000000000000 0.39264172993965 35.453 > 49 59 Cl 0.00000000000000 0.50000000000000 0.39264172993965 35.453 > 49 60 Cl 0.50000000000000 0.50000000000000 0.39264172993965 35.453 > 49 61 Cl 0.00000000000000 0.00000000000000 0.60735827006035 35.453 > 53 62 Cl 0.50000000000000 0.00000000000000 0.60735827006035 35.453 > 53 63 Cl 0.00000000000000 0.50000000000000 0.60735827006035 35.453 > 53 64 Cl 0.50000000000000 0.50000000000000 0.60735827006035 35.453 > 53 65 Cl 0.33333333333333 0.16666666666667 0.72597506327299 35.453 > 49 66 Cl 0.83333333333333 0.16666666666667 0.72597506327299 35.453 > 49 67 Cl 0.33333333333333 0.66666666666667 0.72597506327299 35.453 > 49 68 Cl 0.83333333333333 0.66666666666667 0.72597506327299 35.453 > 49 69 Cl 0.33333333333333 0.16666666666667 0.94069160339368 35.453 > 53 70 Cl 0.83333333333333 0.16666666666667 0.94069160339368 35.453 > 53 71 Cl 0.33333333333333 0.66666666666667 0.94069160339368 35.453 > 53 72 Cl 0.83333333333333 0.66666666666667 0.94069160339368 35.453 > 53 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.1336266 0.0000000 0.0000000 0.0000000 6.1336266 0.0000000 0.0000000 0.0000000 3.7429255 -------------------------- Born effective charges -------------------------- 1 Zr 5.2330402 0.0000000 0.0000000 0.0000000 5.2330402 0.0000000 0.0000000 0.0000000 2.1475427 2 Zr 5.2330402 0.0000000 0.0000000 0.0000000 5.2330402 0.0000000 0.0000000 0.0000000 2.1475427 3 N -3.9370614 -0.0000000 0.0000000 0.0000000 -3.9370614 0.0000000 0.0000000 0.0000000 -1.3489106 4 N -3.9370614 -0.0000000 0.0000000 0.0000000 -3.9370614 0.0000000 0.0000000 0.0000000 -1.3489106 5 Cl -1.2959787 0.0000000 0.0000000 0.0000000 -1.2959787 0.0000000 0.0000000 0.0000000 -0.7986320 6 Cl -1.2959787 0.0000000 0.0000000 0.0000000 -1.2959787 0.0000000 0.0000000 0.0000000 -0.7986320 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000021 (zzz) 0.00000021 (zzz) 0.00000021 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 16 16 16 ] 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: 0.87, Number of G-points: 311, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/417) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.654 ( 0.000 0.000 0.000) 0.000 3.654 ( 0.000 0.000 0.000) 0.000 4.859 ( 0.000 0.000 0.000) 0.000 4.859 ( 0.000 0.000 0.000) 0.000 5.411 ( 0.000 0.000 0.000) 0.000 5.411 ( 0.000 0.000 0.000) 0.000 5.435 ( 0.000 0.000 0.000) 0.000 7.856 ( 0.000 0.000 0.000) 0.000 9.585 ( 0.000 0.000 0.000) 0.000 15.518 ( 0.000 0.000 0.000) 0.000 15.518 ( 0.000 0.000 0.000) 0.000 17.387 ( 0.000 0.000 0.000) 0.000 18.015 ( 0.000 0.000 0.000) 0.000 18.015 ( 0.000 0.000 0.000) 0.000 18.634 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/417) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( 23.136 13.358 2.240) 26.809 0.738 ( 31.373 18.113 0.765) 36.235 1.217 ( 51.813 29.914 -0.197) 59.829 3.707 ( 4.482 2.588 -0.235) 5.181 3.831 ( 13.766 7.948 -0.491) 15.904 4.861 ( 0.211 0.122 0.203) 0.317 5.318 ( -5.868 -3.388 -1.428) 6.924 5.426 ( 1.275 0.736 -0.119) 1.477 5.631 ( 17.832 10.295 -1.673) 20.658 5.861 ( 12.907 7.452 0.011) 14.904 7.832 ( -2.421 -1.398 3.360) 4.371 9.468 ( -9.532 -5.503 -0.730) 11.031 15.445 ( -6.154 -3.553 -0.095) 7.106 17.158 ( -17.060 -9.850 -4.074) 20.117 17.501 ( -29.588 -17.083 0.521) 34.169 18.007 ( -0.739 -0.427 0.088) 0.858 19.129 ( 27.757 16.025 2.307) 32.134 20.955 ( 23.153 13.367 -22.303) 34.816 ======================= Grid point 2 (3/417) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 31.282 18.061 1.551) 36.155 1.451 ( 29.750 17.176 0.783) 34.361 2.382 ( 48.033 27.732 0.326) 55.464 3.852 ( 7.823 4.516 -0.431) 9.043 4.209 ( 17.597 10.159 -0.496) 20.325 4.869 ( 0.382 0.221 0.349) 0.563 5.213 ( -2.762 -1.594 -0.963) 3.331 5.467 ( 2.308 1.332 -0.193) 2.672 6.112 ( 20.358 11.754 -6.685) 24.439 6.243 ( 21.187 12.232 5.191) 25.009 7.774 ( -2.726 -1.574 3.771) 4.912 9.170 ( -15.297 -8.832 -1.032) 17.693 15.238 ( -11.477 -6.627 -0.148) 13.254 16.686 ( -21.390 -12.350 -4.098) 25.037 16.813 ( -29.504 -17.034 2.088) 34.132 17.982 ( -1.358 -0.784 0.135) 1.574 19.712 ( 20.627 11.909 5.520) 24.449 21.473 ( 21.736 12.549 -13.053) 28.290 ======================= Grid point 3 (4/417) ======================= q-point: ( 0.19 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 32.879 18.983 1.064) 37.980 2.114 ( 27.151 15.675 0.794) 31.361 3.416 ( 40.237 23.231 0.588) 46.466 4.053 ( 9.239 5.334 -0.566) 10.683 4.606 ( 16.176 9.339 -0.150) 18.679 4.879 ( 0.327 0.189 0.420) 0.564 5.188 ( 0.745 0.430 -0.578) 1.036 5.530 ( 3.145 1.816 -0.212) 3.638 6.537 ( 19.039 10.992 -3.959) 22.338 6.763 ( 18.486 10.673 1.000) 21.370 7.770 ( 3.449 1.991 3.835) 5.529 8.787 ( -16.807 -9.703 -0.422) 19.411 14.924 ( -15.223 -8.789 -0.137) 17.579 16.122 ( -28.142 -16.248 -0.257) 32.496 16.202 ( -21.738 -12.551 -0.987) 25.121 17.946 ( -1.747 -1.009 0.120) 2.021 20.092 ( 11.338 6.546 3.489) 13.549 21.819 ( 9.103 5.256 -6.357) 12.284 ======================= Grid point 4 (5/417) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( 31.579 18.232 0.711) 36.471 2.708 ( 23.716 13.693 0.774) 27.396 4.223 ( 28.851 16.657 0.481) 33.318 4.262 ( 8.619 4.976 -0.621) 9.972 4.882 ( -0.176 -0.102 0.415) 0.462 4.943 ( 12.623 7.288 -0.300) 14.579 5.245 ( 4.237 2.446 0.289) 4.901 5.612 ( 3.907 2.256 -0.186) 4.515 6.975 ( 4.332 2.501 -0.997) 5.100 7.001 ( 16.949 9.785 -1.753) 19.649 7.964 ( 7.786 4.495 0.611) 9.011 8.471 ( -5.662 -3.269 1.964) 6.827 14.548 ( -16.805 -9.702 -0.072) 19.404 15.468 ( -27.727 -16.008 -0.040) 32.017 15.720 ( -19.833 -11.450 -0.723) 22.912 17.904 ( -1.836 -1.060 0.057) 2.121 20.266 ( 3.592 2.074 1.457) 4.397 21.870 ( -3.253 -1.878 -2.445) 4.482 ======================= Grid point 5 (6/417) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.213 ( 19.562 11.294 0.703) 22.600 3.262 ( 28.646 16.539 0.417) 33.080 4.440 ( 6.637 3.832 -0.581) 7.686 4.759 ( 17.779 10.265 0.400) 20.534 4.869 ( -1.106 -0.638 0.338) 1.321 5.184 ( 8.532 4.926 -1.495) 9.965 5.381 ( 6.861 3.961 1.710) 8.105 5.708 ( 4.311 2.489 -0.135) 4.980 6.894 ( -6.522 -3.766 1.118) 7.614 7.334 ( 2.271 1.311 -3.614) 4.465 7.999 ( 6.469 3.735 0.154) 7.471 8.692 ( 17.356 10.020 2.018) 20.142 14.164 ( -15.873 -9.164 0.008) 18.328 14.849 ( -25.172 -14.533 -0.207) 29.067 15.284 ( -17.509 -10.109 -0.255) 20.219 17.863 ( -1.623 -0.937 -0.016) 1.875 20.289 ( -1.193 -0.689 0.344) 1.420 21.697 ( -10.370 -5.987 -0.676) 11.994 ======================= Grid point 6 (7/417) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.613 ( 14.630 8.447 0.560) 16.903 3.875 ( 23.672 13.667 0.154) 27.334 4.565 ( 4.270 2.465 -0.443) 4.950 4.833 ( -2.018 -1.165 0.209) 2.340 5.080 ( 10.384 5.995 0.596) 12.006 5.352 ( 6.578 3.798 -1.841) 7.816 5.542 ( 6.189 3.573 1.804) 7.371 5.804 ( 3.790 2.188 -0.081) 4.377 6.724 ( -7.835 -4.524 0.929) 9.095 7.098 ( -15.902 -9.181 -1.790) 18.449 8.380 ( 20.379 11.766 -0.403) 23.535 9.079 ( 14.331 8.274 1.010) 16.578 13.831 ( -12.408 -7.164 0.057) 14.328 14.320 ( -19.927 -11.505 -0.225) 23.010 14.920 ( -13.494 -7.791 -0.042) 15.581 17.830 ( -1.181 -0.682 -0.058) 1.365 20.237 ( -2.776 -1.602 -0.082) 3.206 21.433 ( -11.415 -6.590 -0.037) 13.181 ======================= Grid point 7 (8/417) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.884 ( 8.367 4.830 0.329) 9.666 4.329 ( 14.564 8.408 -0.026) 16.817 4.637 ( 2.051 1.184 -0.233) 2.380 4.783 ( -1.983 -1.145 0.074) 2.291 5.260 ( 5.168 2.984 0.483) 5.987 5.488 ( 5.405 3.121 -0.964) 6.315 5.663 ( 3.749 2.165 0.891) 4.420 5.875 ( 2.210 1.276 -0.037) 2.552 6.558 ( -5.947 -3.434 0.517) 6.887 6.735 ( -13.354 -7.710 -0.779) 15.440 8.792 ( 13.631 7.870 -0.405) 15.745 9.332 ( 7.114 4.107 0.511) 8.230 13.605 ( -6.821 -3.938 0.050) 7.876 13.950 ( -11.295 -6.521 -0.141) 13.043 14.673 ( -7.485 -4.321 0.016) 8.643 17.809 ( -0.613 -0.354 -0.048) 0.709 20.179 ( -1.929 -1.114 -0.129) 2.232 21.207 ( -7.295 -4.212 0.086) 8.424 ======================= Grid point 8 (9/417) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 554 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.985 ( 0.000 0.000 0.000) 0.000 4.506 ( 0.000 0.000 0.000) 0.000 4.661 ( 0.000 0.000 0.000) 0.000 4.757 ( -0.000 -0.000 0.000) 0.000 5.321 ( 0.000 0.000 0.000) 0.000 5.567 ( 0.000 0.000 0.000) 0.000 5.707 ( 0.000 0.000 0.000) 0.000 5.901 ( 0.000 0.000 0.000) 0.000 6.483 ( -0.000 -0.000 0.000) 0.000 6.560 ( 0.000 0.000 -0.000) 0.000 8.958 ( 0.000 0.000 0.000) 0.000 9.413 ( 0.000 0.000 -0.000) 0.000 13.524 ( 0.000 0.000 0.000) 0.000 13.816 ( 0.000 0.000 0.000) 0.000 14.584 ( 0.000 0.000 -0.000) 0.000 17.802 ( 0.000 0.000 -0.000) 0.000 20.156 ( 0.000 0.000 0.000) 0.000 21.119 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 18 (10/417) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.397 ( -0.000 26.378 2.087) 26.461 0.734 ( -0.000 36.213 -0.323) 36.214 1.219 ( -0.000 59.631 0.393) 59.632 3.708 ( -0.000 5.222 0.001) 5.222 3.835 ( -0.000 16.116 0.735) 16.133 4.861 ( 0.000 0.202 -0.018) 0.203 5.320 ( 0.000 -6.762 -0.843) 6.814 5.426 ( -0.000 1.501 0.059) 1.502 5.635 ( 0.000 21.351 -0.473) 21.356 5.833 ( 0.000 15.086 -8.180) 17.161 7.838 ( -0.000 -3.481 5.260) 6.307 9.466 ( 0.000 -11.011 -1.471) 11.109 15.446 ( 0.000 -7.076 0.107) 7.077 17.148 ( 0.000 -19.107 -7.075) 20.375 17.506 ( -0.000 -34.829 1.881) 34.879 18.006 ( 0.000 -0.881 -0.095) 0.886 19.081 ( 0.000 34.265 -12.374) 36.431 20.933 ( 0.000 32.216 -27.541) 42.384 ======================= Grid point 19 (11/417) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 17.447 29.351 1.863) 34.196 1.360 ( 19.865 33.781 0.394) 39.191 2.036 ( 27.287 47.057 -0.079) 54.397 3.822 ( 4.360 7.806 -0.297) 8.946 4.091 ( 9.179 17.022 0.778) 19.355 4.872 ( 0.630 0.864 0.185) 1.085 5.219 ( -2.506 -3.985 -1.085) 4.830 5.496 ( 2.344 4.342 -0.136) 4.936 5.976 ( 10.932 23.650 -5.383) 26.604 6.080 ( 12.053 14.483 0.969) 18.867 7.796 ( -1.643 -3.579 4.944) 6.321 9.258 ( -8.132 -14.190 -1.905) 16.466 15.316 ( -5.407 -9.188 0.022) 10.662 16.809 ( -12.132 -20.298 -6.247) 24.459 16.994 ( -17.217 -30.839 1.852) 35.368 17.972 ( -0.967 -1.852 -0.028) 2.090 19.581 ( 16.742 23.568 1.363) 28.941 21.311 ( 11.775 26.198 -16.925) 33.338 ======================= Grid point 20 (12/417) ======================= q-point: ( 0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 26.849 26.826 1.390) 37.979 2.024 ( 16.886 34.066 0.645) 38.027 3.000 ( 35.522 32.124 0.017) 47.893 3.999 ( 5.895 9.338 -0.525) 11.055 4.448 ( 13.038 12.849 1.036) 18.335 4.899 ( 0.329 2.849 0.351) 2.889 5.170 ( 0.238 -1.253 -0.976) 1.606 5.580 ( -0.009 8.468 -0.196) 8.471 6.363 ( 13.857 15.471 -6.147) 21.660 6.546 ( 19.171 15.682 2.306) 24.876 7.756 ( -0.046 -1.524 5.248) 5.465 8.920 ( -12.563 -14.851 -1.578) 19.516 15.077 ( -11.237 -9.366 -0.056) 14.629 16.335 ( -18.457 -21.486 -2.833) 28.466 16.379 ( -19.026 -23.717 0.199) 30.406 17.941 ( -0.219 -2.460 0.055) 2.470 20.022 ( 10.529 14.431 3.909) 18.287 21.688 ( 10.706 11.486 -9.429) 18.315 ======================= Grid point 21 (13/417) ======================= q-point: ( 0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 28.394 24.494 0.937) 37.511 2.629 ( 14.233 31.913 0.708) 34.950 3.860 ( 31.963 20.071 0.005) 37.742 4.202 ( 6.588 9.191 -0.632) 11.325 4.765 ( 10.790 5.466 1.174) 12.152 4.953 ( 0.863 7.468 0.280) 7.523 5.199 ( 3.224 1.359 -0.369) 3.518 5.667 ( -1.055 10.884 -0.167) 10.936 6.775 ( 17.700 14.161 -4.484) 23.107 6.917 ( 8.683 3.929 0.610) 9.550 7.852 ( 9.005 4.764 3.661) 10.826 8.553 ( -11.496 -12.893 -0.086) 17.274 14.746 ( -15.662 -9.133 -0.064) 18.131 15.726 ( -23.081 -21.630 0.006) 31.632 15.884 ( -16.258 -18.175 -1.460) 24.429 17.914 ( -0.507 -1.482 0.041) 1.567 20.253 ( 3.364 6.747 2.237) 7.864 21.835 ( 2.506 -2.271 -4.043) 5.271 ======================= Grid point 22 (14/417) ======================= q-point: ( 0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( 27.203 21.673 0.577) 34.786 3.158 ( 11.282 28.703 0.693) 30.848 4.383 ( 7.046 6.947 -0.696) 9.919 4.504 ( 21.394 11.106 -0.072) 24.105 4.893 ( 1.518 2.306 0.798) 2.874 5.112 ( 6.161 8.252 -0.576) 10.315 5.307 ( 6.143 3.557 1.141) 7.190 5.761 ( -1.307 11.755 -0.148) 11.829 6.941 ( -3.003 -4.200 1.098) 5.279 7.208 ( 15.326 9.585 -4.066) 18.528 7.986 ( -1.700 -1.109 0.025) 2.030 8.467 ( 13.995 1.216 2.582) 14.283 14.365 ( -16.976 -9.316 -0.031) 19.364 15.121 ( -23.927 -16.983 -0.185) 29.342 15.437 ( -14.842 -15.965 -0.583) 21.806 17.895 ( -1.248 0.709 -0.012) 1.435 20.304 ( -1.257 0.350 0.771) 1.515 21.734 ( -4.685 -11.091 -1.333) 12.113 ======================= Grid point 23 (15/417) ======================= q-point: ( 0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.590 ( 12.457 20.998 0.492) 24.420 3.617 ( 19.355 22.067 0.389) 29.355 4.536 ( 3.944 5.686 -0.637) 6.950 4.821 ( 5.082 0.552 0.180) 5.115 4.989 ( 6.994 8.612 0.545) 11.108 5.281 ( 5.910 5.043 -1.607) 7.933 5.467 ( 6.835 3.592 2.024) 7.982 5.853 ( -1.391 11.187 -0.137) 11.274 6.799 ( -6.546 -6.086 1.215) 9.020 7.253 ( -10.652 -6.319 -2.841) 12.707 8.140 ( 17.629 9.015 -0.089) 19.801 8.837 ( 19.892 3.379 1.477) 20.231 13.992 ( -14.476 -8.990 -0.002) 17.040 14.561 ( -22.481 -13.253 -0.222) 26.097 15.057 ( -12.680 -11.115 -0.158) 16.863 17.886 ( -2.315 3.649 -0.055) 4.322 20.245 ( -2.527 -4.399 0.086) 5.074 21.486 ( -7.371 -14.698 -0.274) 16.445 ======================= Grid point 24 (16/417) ======================= q-point: ( 0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.926 ( 3.361 20.929 0.422) 21.201 4.140 ( 17.804 12.707 0.049) 21.874 4.633 ( 1.680 4.237 -0.510) 4.586 4.827 ( -2.424 1.140 0.287) 2.694 5.204 ( 6.532 6.140 0.575) 8.983 5.421 ( 5.733 3.659 -1.413) 6.947 5.609 ( 5.329 2.369 1.498) 6.021 5.930 ( -1.949 9.636 -0.114) 9.832 6.623 ( -6.454 -5.765 0.866) 8.697 6.917 ( -15.954 -7.278 -1.377) 17.590 8.577 ( 19.150 7.472 -0.485) 20.561 9.162 ( 14.586 -0.381 0.848) 14.616 13.707 ( -8.956 -6.019 0.009) 10.791 14.092 ( -16.610 -11.176 -0.151) 20.021 14.782 ( -9.710 -4.421 -0.014) 10.669 17.886 ( -3.586 6.535 -0.061) 7.455 20.153 ( -0.763 -7.187 -0.078) 7.228 21.223 ( -5.138 -14.056 0.010) 14.966 ======================= Grid point 25 (17/417) ======================= q-point: ( 0.50 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.118 ( -3.963 17.233 0.139) 17.683 4.449 ( 7.368 3.347 -0.031) 8.093 4.679 ( -0.427 3.086 -0.305) 3.130 4.798 ( -2.587 2.567 0.206) 3.650 5.320 ( 1.572 2.770 0.324) 3.201 5.544 ( 3.793 2.712 -0.443) 4.684 5.693 ( 2.009 0.571 0.544) 2.158 5.973 ( -3.243 7.835 -0.063) 8.480 6.490 ( -2.693 -3.401 0.407) 4.357 6.632 ( -9.085 -1.419 -0.631) 9.217 8.877 ( 9.348 0.456 -0.310) 9.364 9.327 ( 7.179 -4.618 0.443) 8.548 13.574 ( -3.312 0.597 0.010) 3.365 13.791 ( -4.562 -9.565 -0.053) 10.597 14.637 ( -5.221 1.712 -0.001) 5.495 17.889 ( -4.643 8.295 -0.028) 9.506 20.090 ( 2.550 -7.760 0.018) 8.168 21.057 ( 0.967 -10.582 -0.030) 10.626 ======================= Grid point 26 (18/417) ======================= q-point: (-0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.117 ( -13.026 11.990 -0.215) 17.706 4.449 ( -6.573 -4.698 0.032) 8.079 4.681 ( -2.369 2.018 0.087) 3.113 4.797 ( -0.975 3.450 0.011) 3.585 5.319 ( -3.354 -0.010 -0.011) 3.354 5.546 ( -3.955 -1.838 0.160) 4.364 5.691 ( -1.776 -1.607 -0.211) 2.404 5.974 ( -5.150 6.765 0.039) 8.502 6.488 ( 4.125 0.539 -0.168) 4.163 6.634 ( 6.031 7.286 0.145) 9.459 8.878 ( -4.936 -7.804 0.126) 9.235 9.326 ( 0.234 -8.619 -0.071) 8.623 13.574 ( 1.127 3.183 -0.002) 3.377 13.792 ( 10.601 -0.831 0.056) 10.634 14.637 ( 1.125 5.374 -0.031) 5.491 17.890 ( -4.847 8.172 0.014) 9.502 20.091 ( 5.466 -6.070 0.180) 8.170 21.057 ( 8.670 -6.138 -0.146) 10.624 ======================= Grid point 27 (19/417) ======================= q-point: (-0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.923 ( -19.862 7.533 -0.454) 21.247 4.140 ( -19.962 -9.089 -0.009) 21.934 4.636 ( -4.472 0.745 0.317) 4.544 4.826 ( 0.211 2.607 -0.126) 2.618 5.200 ( -8.669 -2.589 -0.542) 9.063 5.430 ( -5.702 -3.048 1.314) 6.598 5.600 ( -5.027 -3.572 -1.162) 6.276 5.931 ( -7.380 6.548 0.104) 9.867 6.618 ( 8.078 2.623 -0.575) 8.512 6.924 ( 14.605 10.328 0.918) 17.911 8.580 ( -16.020 -12.868 0.357) 20.551 9.157 ( -7.130 -12.892 -0.532) 14.742 13.707 ( 9.671 4.785 0.011) 10.790 14.092 ( 18.024 8.781 0.131) 20.049 14.782 ( 8.705 6.201 -0.037) 10.688 17.886 ( -3.858 6.368 0.031) 7.445 20.154 ( 6.577 -2.932 0.234) 7.204 21.222 ( 14.787 -2.565 -0.148) 15.008 ======================= Grid point 28 (20/417) ======================= q-point: (-0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.587 ( -24.477 0.353 -0.500) 24.485 3.615 ( -28.860 -6.390 -0.281) 29.561 4.540 ( -6.862 -0.525 0.452) 6.897 4.820 ( -2.981 -4.076 -0.214) 5.054 4.985 ( -10.939 -1.824 -0.733) 11.115 5.293 ( -7.398 -2.631 2.113) 8.131 5.454 ( -6.568 -4.150 -1.866) 7.990 5.854 ( -9.001 6.824 0.127) 11.296 6.792 ( 8.452 2.582 -0.885) 8.882 7.270 ( 11.443 6.358 2.223) 13.279 8.141 ( -16.817 -10.910 0.054) 20.046 8.828 ( -13.186 -15.659 -1.140) 20.503 13.992 ( 15.008 8.079 0.040) 17.045 14.563 ( 22.738 12.825 0.152) 26.106 15.058 ( 16.042 5.447 0.042) 16.941 17.886 ( -2.004 3.819 0.006) 4.313 20.245 ( 4.941 -0.054 0.033) 4.941 21.488 ( 16.598 -0.899 0.148) 16.623 ======================= Grid point 29 (21/417) ======================= q-point: (-0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( -32.484 -12.738 -0.421) 34.894 3.154 ( -30.534 4.612 -0.613) 30.886 4.387 ( -9.536 -2.639 0.507) 9.907 4.503 ( -20.328 -12.845 -0.495) 24.051 4.888 ( -2.723 -0.303 -0.552) 2.794 5.120 ( -10.753 -1.374 1.612) 10.959 5.300 ( -5.663 -3.387 -1.261) 6.718 5.761 ( -9.520 7.007 0.139) 11.821 6.935 ( 5.269 0.573 -0.786) 5.358 7.230 ( -15.984 -8.594 2.754) 18.355 7.989 ( 1.962 0.966 0.682) 2.291 8.450 ( -8.306 -11.534 -2.441) 14.421 14.365 ( 16.554 10.064 0.087) 19.373 15.122 ( 26.647 12.204 0.055) 29.309 15.440 ( 21.420 4.948 0.261) 21.986 17.895 ( -0.001 1.430 -0.048) 1.431 20.300 ( -0.001 1.168 -0.563) 1.296 21.741 ( 12.456 -1.346 0.974) 12.566 ======================= Grid point 30 (22/417) ======================= q-point: (-0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( -35.554 -12.341 -0.591) 37.640 2.625 ( -34.792 3.703 -0.560) 34.993 3.859 ( -33.440 -17.455 -0.512) 37.725 4.205 ( -11.219 -1.145 0.403) 11.284 4.761 ( -10.035 -6.855 0.055) 12.153 4.952 ( -7.178 2.906 0.247) 7.748 5.199 ( -2.468 -1.984 -0.124) 3.169 5.668 ( -8.877 6.335 0.157) 10.907 6.797 ( -20.818 -8.231 2.171) 22.492 6.914 ( -7.658 -5.488 -0.346) 9.428 7.836 ( -9.736 -5.939 -1.307) 11.479 8.551 ( 17.536 3.997 -0.658) 17.998 14.747 ( 15.746 8.986 0.123) 18.130 15.726 ( 30.250 9.166 -0.124) 31.608 15.891 ( 24.135 5.129 0.563) 24.681 17.914 ( 1.524 -0.290 -0.093) 1.554 20.240 ( -8.150 0.448 -1.559) 8.310 21.856 ( 1.919 -3.186 2.507) 4.485 ======================= Grid point 31 (23/417) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -36.875 -9.749 -0.612) 38.146 2.021 ( -37.989 2.549 -0.396) 38.077 2.999 ( -45.603 -14.446 -0.316) 47.838 4.001 ( -11.030 -0.512 0.264) 11.045 4.446 ( -17.517 -5.289 0.332) 18.301 4.898 ( -2.666 1.184 -0.148) 2.921 5.174 ( 1.113 -0.814 0.246) 1.400 5.581 ( -7.304 4.197 0.152) 8.425 6.392 ( -19.028 -4.035 2.523) 19.614 6.533 ( -24.515 -8.917 -1.648) 26.139 7.733 ( 1.002 -0.594 -1.663) 2.031 8.926 ( 19.398 3.640 0.221) 19.738 15.077 ( 13.736 4.995 0.101) 14.617 16.350 ( 31.124 5.892 1.516) 31.713 16.375 ( 27.168 4.200 -1.036) 27.510 17.940 ( 2.231 -0.996 -0.087) 2.445 20.002 ( -18.503 -1.192 -2.212) 18.673 21.732 ( -12.958 -4.084 3.879) 14.129 ======================= Grid point 32 (24/417) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -34.437 0.000 0.000) 34.437 1.359 ( -39.208 0.000 0.000) 39.208 2.036 ( -54.440 0.000 0.000) 54.440 3.823 ( -8.943 0.000 0.000) 8.943 4.088 ( -19.214 0.000 0.000) 19.214 4.871 ( -1.060 0.000 0.000) 1.060 5.222 ( 4.804 -0.000 -0.000) 4.804 5.497 ( -4.919 0.000 0.000) 4.919 5.995 ( -27.865 0.000 0.000) 27.865 6.076 ( -16.139 0.000 0.000) 16.139 7.780 ( 3.578 -0.000 -0.000) 3.578 9.264 ( 16.436 -0.000 -0.000) 16.436 15.316 ( 10.663 -0.000 -0.000) 10.663 16.831 ( 24.395 -0.000 -0.000) 24.395 16.987 ( 35.134 -0.000 -0.000) 35.134 17.972 ( 2.093 -0.000 -0.000) 2.093 19.576 ( -28.157 0.000 0.000) 28.157 21.368 ( -25.147 0.000 0.000) 25.147 ======================= Grid point 35 (25/417) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -0.000 35.980 1.142) 35.998 1.444 ( -0.000 34.355 -0.160) 34.355 2.377 ( -0.000 55.017 -0.371) 55.019 3.855 ( -0.000 9.086 -0.070) 9.086 4.228 ( -0.000 20.834 2.264) 20.957 4.867 ( -0.000 0.400 0.014) 0.401 5.212 ( 0.000 -3.320 -1.073) 3.490 5.469 ( -0.000 2.696 0.088) 2.697 6.133 ( 0.000 19.295 -8.895) 21.246 6.190 ( -0.000 29.828 2.895) 29.969 7.784 ( -0.000 -3.515 5.220) 6.293 9.160 ( 0.000 -17.726 -2.445) 17.894 15.240 ( 0.000 -13.218 0.187) 13.219 16.674 ( 0.000 -23.589 -6.097) 24.364 16.805 ( -0.000 -34.816 1.093) 34.833 17.980 ( 0.000 -1.599 -0.167) 1.608 19.666 ( 0.000 25.449 -1.400) 25.488 21.480 ( 0.000 26.989 -11.602) 29.377 ======================= Grid point 36 (26/417) ======================= q-point: ( 0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 10.289 36.517 1.114) 37.955 2.019 ( 21.555 31.487 0.240) 38.159 2.991 ( 10.562 46.347 -0.728) 47.541 4.001 ( 4.868 9.884 -0.328) 11.023 4.467 ( 3.422 18.337 2.742) 18.854 4.899 ( 2.569 1.824 0.319) 3.167 5.167 ( -1.286 -0.630 -1.248) 1.900 5.582 ( 7.162 4.275 0.001) 8.341 6.360 ( 5.559 19.378 -6.758) 21.262 6.535 ( 5.450 25.337 1.695) 25.972 7.761 ( -0.746 -0.894 5.744) 5.861 8.912 ( -6.276 -18.625 -2.393) 19.799 15.079 ( -2.651 -14.342 0.140) 14.585 16.335 ( -9.980 -26.157 -3.894) 28.266 16.367 ( -9.935 -28.791 0.179) 30.457 17.939 ( -1.874 -1.472 -0.108) 2.385 19.998 ( 9.972 16.315 1.588) 19.187 21.705 ( 1.714 16.003 -7.747) 17.862 ======================= Grid point 37 (27/417) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 19.132 32.744 0.951) 37.936 2.708 ( 19.046 32.457 0.549) 37.637 3.638 ( 18.430 30.881 -0.766) 35.970 4.196 ( 5.760 10.253 -0.592) 11.775 4.700 ( 5.403 10.491 2.278) 12.018 4.996 ( 3.315 6.802 0.967) 7.628 5.168 ( 1.365 1.499 -1.081) 2.298 5.759 ( 4.975 8.792 -0.103) 10.103 6.678 ( 10.391 18.471 -5.164) 21.813 6.837 ( 6.235 10.569 0.600) 12.285 7.805 ( 3.076 5.702 5.341) 8.397 8.583 ( -9.318 -17.424 -1.531) 19.818 14.850 ( -7.959 -13.549 0.036) 15.714 15.819 ( -14.811 -26.165 -0.179) 30.066 15.926 ( -13.010 -22.461 -2.014) 26.035 17.905 ( -0.441 -0.929 -0.026) 1.029 20.263 ( 5.348 7.567 1.981) 9.476 21.790 ( -0.710 0.869 -4.252) 4.397 ======================= Grid point 38 (28/417) ======================= q-point: ( 0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( 21.774 27.820 0.631) 35.333 3.313 ( 11.595 34.437 0.627) 36.342 4.209 ( 19.212 14.680 -0.636) 24.187 4.404 ( 6.611 11.180 -0.670) 13.005 4.866 ( 4.584 4.846 1.395) 6.814 5.134 ( 2.344 8.943 0.077) 9.245 5.247 ( 5.036 3.565 0.672) 6.206 5.918 ( 0.516 12.935 -0.191) 12.947 6.925 ( 0.234 -2.673 0.743) 2.784 7.057 ( 13.302 14.869 -4.043) 20.356 7.994 ( 4.400 7.763 2.007) 9.146 8.297 ( -0.759 -11.636 0.916) 11.697 14.522 ( -13.515 -14.335 -0.065) 19.701 15.326 ( -17.961 -16.377 -0.140) 24.307 15.471 ( -11.595 -22.127 -0.969) 25.000 17.907 ( 0.638 1.002 -0.011) 1.188 20.341 ( -1.197 0.800 0.992) 1.749 21.679 ( -4.425 -11.834 -1.741) 12.753 ======================= Grid point 39 (29/417) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.406 ( 20.979 21.730 0.330) 30.206 3.808 ( 5.674 34.170 0.574) 34.643 4.514 ( 6.509 6.079 -0.689) 8.933 4.697 ( 11.831 9.063 -0.303) 14.907 4.988 ( 3.756 6.694 0.951) 7.734 5.252 ( 3.252 5.825 -1.369) 6.810 5.396 ( 6.101 4.391 2.145) 7.817 6.034 ( -2.719 14.148 -0.314) 14.410 6.832 ( -4.433 -6.940 1.278) 8.334 7.307 ( 0.825 1.855 -3.601) 4.133 8.012 ( 3.802 4.979 0.403) 6.277 8.497 ( 20.086 0.097 1.849) 20.172 14.120 ( -14.017 -15.769 -0.113) 21.099 14.824 ( -22.150 -13.869 -0.269) 26.135 15.126 ( -8.315 -11.928 -0.202) 14.542 17.947 ( 0.643 4.649 -0.028) 4.694 20.262 ( -4.862 -4.996 0.206) 6.974 21.420 ( -6.058 -19.282 -0.475) 20.217 ======================= Grid point 40 (30/417) ======================= q-point: ( 0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.925 ( 16.892 15.030 0.151) 22.611 4.201 ( 1.983 30.262 0.383) 30.329 4.646 ( 2.845 5.386 -0.622) 6.123 4.873 ( 1.078 4.743 0.210) 4.868 5.172 ( 6.280 10.141 0.589) 11.942 5.364 ( 4.635 3.986 -1.441) 6.281 5.540 ( 5.628 2.842 1.879) 6.579 6.107 ( -4.196 12.519 -0.402) 13.210 6.667 ( -5.869 -7.345 1.098) 9.466 7.126 ( -14.426 -3.565 -1.738) 14.961 8.315 ( 17.943 7.648 -0.281) 19.507 8.838 ( 19.474 -3.703 1.062) 19.851 13.760 ( -9.024 -14.047 -0.106) 16.696 14.304 ( -20.537 -14.051 -0.130) 24.884 14.919 ( -8.752 -0.381 -0.022) 8.760 18.017 ( -0.936 9.470 -0.039) 9.516 20.100 ( -4.212 -10.020 -0.083) 10.870 21.117 ( -4.046 -21.503 -0.039) 21.880 ======================= Grid point 41 (31/417) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.286 ( 9.585 10.825 0.123) 14.459 4.457 ( -2.173 18.456 0.036) 18.583 4.733 ( 0.377 7.446 -0.458) 7.470 4.890 ( -3.734 4.883 0.298) 6.154 5.332 ( 1.800 5.752 0.242) 6.032 5.506 ( 5.261 7.048 -0.619) 8.817 5.651 ( 3.993 1.263 1.097) 4.329 6.139 ( -4.610 9.373 -0.432) 10.454 6.507 ( -4.349 -5.863 0.776) 7.341 6.844 ( -14.888 2.238 -0.846) 15.079 8.662 ( 15.066 0.876 -0.409) 15.097 9.076 ( 14.052 -8.279 0.703) 16.325 13.556 ( -0.265 -9.017 -0.075) 9.022 13.859 ( -14.361 -12.220 -0.010) 18.856 14.805 ( -8.567 7.423 -0.006) 11.336 18.091 ( -4.373 13.690 -0.038) 14.372 19.945 ( 0.646 -13.273 -0.014) 13.289 20.880 ( 1.412 -19.671 -0.029) 19.721 ======================= Grid point 42 (32/417) ======================= q-point: (-0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.472 ( -0.951 -0.629 -0.025) 1.140 4.479 ( -7.227 14.660 -0.126) 16.345 4.793 ( -5.465 9.947 -0.141) 11.351 4.869 ( -2.536 4.013 0.166) 4.750 5.372 ( -1.213 2.175 0.221) 2.501 5.610 ( -2.854 5.008 -0.152) 5.766 5.692 ( 0.238 -0.970 0.296) 1.041 6.142 ( -4.230 7.640 -0.269) 8.737 6.432 ( 1.117 -2.389 0.347) 2.660 6.714 ( -5.928 10.695 -0.322) 12.232 8.805 ( 4.380 -7.310 -0.183) 8.523 9.156 ( 6.968 -12.442 0.350) 14.265 13.572 ( 5.892 -9.846 0.002) 11.474 13.603 ( -0.031 -0.244 0.027) 0.247 14.768 ( -6.514 11.264 -0.039) 13.012 18.125 ( -8.287 14.365 -0.031) 16.584 19.881 ( 7.224 -12.414 0.197) 14.364 20.791 ( 8.966 -15.588 -0.166) 17.983 ======================= Grid point 43 (33/417) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.284 ( -14.256 -2.693 -0.175) 14.509 4.456 ( -14.977 10.876 -0.200) 18.511 4.739 ( -6.474 3.444 0.359) 7.342 4.886 ( -2.422 5.652 -0.186) 6.152 5.332 ( -6.393 1.559 0.225) 6.585 5.511 ( -7.914 -1.135 0.005) 7.995 5.641 ( -3.629 -3.097 -0.335) 4.783 6.142 ( -5.819 8.920 0.081) 10.651 6.501 ( 6.956 0.667 -0.192) 6.991 6.851 ( 6.028 14.082 0.254) 15.321 8.665 ( -8.144 -12.623 0.117) 15.023 9.071 ( -0.150 -16.407 -0.080) 16.408 13.557 ( 7.936 -4.234 0.094) 8.996 13.860 ( 17.826 6.317 0.022) 18.912 14.804 ( -2.146 11.123 -0.070) 11.328 18.092 ( -9.645 10.611 -0.022) 14.339 19.947 ( 11.184 -7.133 0.337) 13.269 20.879 ( 16.336 -11.084 -0.251) 19.743 ======================= Grid point 44 (34/417) ======================= q-point: (-0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.923 ( -21.526 -7.063 -0.121) 22.656 4.196 ( -27.313 13.343 -0.370) 30.400 4.654 ( -6.045 0.281 0.456) 6.069 4.869 ( -4.586 1.532 -0.268) 4.843 5.165 ( -12.196 -0.400 -0.483) 12.212 5.383 ( -5.111 -2.084 1.219) 5.652 5.520 ( -5.864 -3.557 -1.042) 6.937 6.111 ( -8.847 10.079 0.166) 13.412 6.656 ( 9.061 1.316 -0.558) 9.173 7.145 ( 11.194 10.900 1.041) 15.659 8.317 ( -15.703 -11.931 0.099) 19.722 8.828 ( -6.923 -18.799 -0.462) 20.039 13.761 ( 16.662 0.835 0.105) 16.683 14.305 ( 22.508 10.770 0.068) 24.953 14.919 ( 4.761 7.380 -0.065) 8.782 18.017 ( -7.716 5.521 -0.020) 9.487 20.103 ( 10.652 -1.358 0.266) 10.742 21.116 ( 20.808 -7.223 -0.149) 22.026 ======================= Grid point 45 (35/417) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.402 ( -29.463 -7.300 -0.159) 30.354 3.801 ( -32.509 12.235 -0.396) 34.738 4.522 ( -8.506 -2.657 0.415) 8.921 4.697 ( -13.650 -5.443 -0.305) 14.699 4.977 ( -7.767 0.054 -0.599) 7.790 5.275 ( -6.848 -0.020 2.108) 7.165 5.370 ( -6.776 -3.199 -1.744) 7.694 6.037 ( -10.994 9.518 0.117) 14.542 6.818 ( 8.175 0.445 -0.633) 8.211 7.345 ( -1.083 0.135 1.906) 2.196 8.009 ( -6.089 -0.784 -0.029) 6.139 8.476 ( -10.963 -17.508 -1.098) 20.687 14.121 ( 20.642 4.278 0.100) 21.081 14.826 ( 23.079 12.309 0.056) 26.156 15.127 ( 14.722 1.218 0.011) 14.773 17.947 ( -4.349 1.760 -0.033) 4.692 20.260 ( 6.414 1.659 -0.028) 6.625 21.424 ( 20.197 -4.333 0.183) 20.657 ======================= Grid point 46 (36/417) ======================= q-point: (-0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( -35.186 -4.890 -0.183) 35.524 3.307 ( -35.667 7.316 -0.266) 36.411 4.213 ( -22.442 -9.062 -0.095) 24.203 4.409 ( -12.841 -0.044 0.073) 12.841 4.854 ( -6.660 -1.651 -0.233) 6.865 5.139 ( -10.119 1.590 1.070) 10.299 5.238 ( -4.277 -2.036 -0.843) 4.812 5.919 ( -11.506 6.023 0.057) 12.988 6.918 ( 2.656 -1.254 -0.313) 2.954 7.092 ( -19.358 -4.483 1.034) 19.898 7.984 ( -11.294 -1.589 0.657) 11.424 8.282 ( 12.319 -3.413 -1.324) 12.852 14.523 ( 19.144 4.495 0.073) 19.664 15.327 ( 23.086 7.332 -0.078) 24.223 15.479 ( 25.419 -0.857 0.174) 25.434 17.907 ( -1.196 -0.022 -0.037) 1.197 20.332 ( -0.701 1.556 -0.340) 1.740 21.695 ( 13.488 -2.238 0.541) 13.683 ======================= Grid point 47 (37/417) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( -38.131 0.000 0.000) 38.131 2.704 ( -37.654 0.000 0.000) 37.654 3.644 ( -36.012 0.000 0.000) 36.012 4.200 ( -11.767 0.000 0.000) 11.767 4.684 ( -12.124 0.000 0.000) 12.124 4.990 ( -7.267 0.000 0.000) 7.267 5.175 ( -1.805 0.000 0.000) 1.805 5.760 ( -10.109 0.000 0.000) 10.109 6.715 ( -20.358 0.000 0.000) 20.358 6.832 ( -12.501 0.000 0.000) 12.501 7.768 ( -7.349 0.000 0.000) 7.349 8.593 ( 20.192 -0.000 -0.000) 20.192 14.850 ( 15.697 -0.000 -0.000) 15.697 15.821 ( 30.150 -0.000 -0.000) 30.150 15.939 ( 26.458 -0.000 -0.000) 26.458 17.905 ( 1.025 -0.000 -0.000) 1.025 20.249 ( -9.812 0.000 0.000) 9.812 21.819 ( 1.326 -0.000 -0.000) 1.326 ======================= Grid point 52 (38/417) ======================= q-point: ( 0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( -0.000 37.930 0.744) 37.937 2.106 ( -0.000 31.375 0.056) 31.375 3.397 ( 0.000 45.964 -1.103) 45.977 4.057 ( 0.000 10.667 -0.242) 10.670 4.652 ( -0.000 19.310 4.038) 19.728 4.876 ( -0.000 0.403 0.136) 0.425 5.179 ( 0.000 0.484 -1.439) 1.518 5.533 ( -0.000 3.635 0.071) 3.635 6.512 ( 0.000 22.335 -6.151) 23.167 6.760 ( -0.000 22.050 0.765) 22.063 7.796 ( -0.000 4.462 6.127) 7.579 8.763 ( 0.000 -19.911 -2.642) 20.086 14.928 ( 0.000 -17.574 0.224) 17.575 16.118 ( 0.000 -32.887 -0.829) 32.898 16.182 ( 0.000 -24.005 -2.576) 24.143 17.942 ( 0.000 -2.020 -0.201) 2.030 20.065 ( -0.000 14.271 0.959) 14.303 21.832 ( 0.000 10.850 -5.049) 11.967 ======================= Grid point 53 (39/417) ======================= q-point: ( 0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 7.300 36.822 0.729) 37.546 2.621 ( 20.892 28.188 0.250) 35.087 3.839 ( 2.096 37.421 -1.223) 37.499 4.204 ( 4.394 10.245 -0.463) 11.157 4.792 ( -1.986 10.275 2.516) 10.763 4.975 ( 6.582 7.267 2.090) 10.025 5.181 ( -0.495 2.641 -1.603) 3.129 5.670 ( 9.801 4.505 -0.002) 10.787 6.761 ( 3.309 22.918 -5.247) 23.742 6.917 ( -0.847 9.680 0.588) 9.734 7.886 ( -0.459 11.714 5.759) 13.061 8.520 ( -4.751 -17.913 -2.217) 18.665 14.750 ( -0.191 -18.125 0.170) 18.127 15.720 ( -7.136 -30.712 -0.454) 31.534 15.875 ( -7.351 -22.853 -1.910) 24.082 17.911 ( -0.909 -1.185 -0.145) 1.500 20.236 ( 5.102 6.928 1.197) 8.686 21.850 ( -4.303 0.880 -3.078) 5.363 ======================= Grid point 54 (40/417) ======================= q-point: ( 0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( 13.408 32.709 0.581) 35.355 3.309 ( 24.475 27.053 0.473) 36.484 4.201 ( 3.849 24.278 -0.909) 24.598 4.402 ( 6.306 10.834 -0.744) 12.558 4.868 ( 1.816 5.817 1.391) 6.250 5.178 ( 4.681 9.808 2.616) 11.178 5.216 ( 1.571 3.590 -1.277) 4.121 5.918 ( 10.828 6.895 -0.193) 12.838 6.920 ( -1.828 -1.109 0.368) 2.170 7.060 ( 5.352 19.600 -3.723) 20.656 8.036 ( 3.249 10.567 3.975) 11.749 8.257 ( -8.011 -9.724 -1.037) 12.642 14.523 ( -5.834 -18.831 0.011) 19.714 15.322 ( -5.023 -23.736 -0.328) 24.264 15.469 ( -13.241 -21.037 -0.997) 24.877 17.905 ( 0.667 1.023 -0.064) 1.223 20.337 ( 1.873 -0.559 0.837) 2.126 21.684 ( -8.812 -9.687 -1.553) 13.187 ======================= Grid point 55 (41/417) ======================= q-point: ( 0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.330 ( 15.237 26.280 0.330) 30.380 3.969 ( 17.251 29.342 0.566) 34.042 4.451 ( 5.568 10.060 -0.605) 11.514 4.643 ( 7.712 12.585 -0.726) 14.778 4.986 ( 4.317 6.898 1.079) 8.209 5.267 ( 1.147 4.695 -1.542) 5.073 5.361 ( 4.705 6.613 2.645) 8.536 6.145 ( 5.266 9.121 -0.506) 10.545 6.830 ( -3.477 -6.726 1.122) 7.654 7.298 ( 3.976 8.753 -3.451) 10.214 8.076 ( -2.173 -1.438 0.314) 2.624 8.245 ( 6.945 8.860 2.156) 11.462 14.162 ( -11.813 -20.312 -0.137) 23.498 14.974 ( -14.080 -24.507 -0.551) 28.269 15.121 ( -3.899 -6.800 -0.020) 7.839 17.960 ( 2.605 4.422 -0.020) 5.133 20.288 ( -3.546 -6.138 0.247) 7.093 21.364 ( -10.639 -18.274 -0.545) 21.152 ======================= Grid point 56 (42/417) ======================= q-point: ( 0.44 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.818 ( 14.297 18.961 0.141) 23.747 4.452 ( 4.381 26.688 0.434) 27.048 4.618 ( 6.277 4.819 -0.488) 7.929 4.884 ( 5.735 9.762 -0.299) 11.326 5.184 ( 6.997 13.633 0.777) 15.343 5.335 ( 2.687 3.377 -1.327) 4.515 5.494 ( 3.854 4.270 2.040) 6.103 6.266 ( -0.958 7.884 -0.819) 7.984 6.683 ( -4.732 -8.087 1.101) 9.434 7.310 ( -6.587 1.593 -1.847) 7.024 8.173 ( 7.043 9.642 0.161) 11.941 8.479 ( 15.138 -2.358 1.172) 15.365 13.762 ( -10.427 -18.296 -0.155) 21.059 14.459 ( -17.195 -21.834 -0.194) 27.793 15.052 ( -3.293 3.209 0.012) 4.598 18.085 ( 3.747 9.120 0.002) 9.860 20.106 ( -7.331 -10.246 -0.144) 12.599 20.979 ( -8.138 -23.721 -0.038) 25.078 ======================= Grid point 57 (43/417) ======================= q-point: ( 0.50 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.199 ( 11.259 12.118 0.057) 16.542 4.635 ( -0.961 7.854 -0.203) 7.915 4.801 ( 3.567 11.842 0.158) 12.369 5.014 ( -1.036 8.939 -0.045) 8.999 5.364 ( 1.215 4.191 -0.509) 4.393 5.536 ( 6.303 19.913 -0.172) 20.887 5.596 ( 4.154 2.194 1.538) 4.944 6.280 ( -3.435 3.897 -0.928) 5.277 6.522 ( -4.631 -7.231 0.850) 8.628 7.168 ( -14.098 9.277 -0.582) 16.887 8.422 ( 12.271 2.666 -0.254) 12.559 8.705 ( 16.757 -9.649 0.762) 19.352 13.470 ( -3.863 -13.573 -0.118) 14.113 13.967 ( -14.962 -18.616 -0.014) 23.883 15.046 ( -6.245 11.378 0.002) 12.979 18.263 ( 2.224 14.840 0.008) 15.006 19.853 ( -6.730 -13.970 -0.171) 15.507 20.642 ( -1.393 -25.348 0.050) 25.386 ======================= Grid point 58 (44/417) ======================= q-point: ( 0.56 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.442 ( 5.516 5.732 0.041) 7.955 4.643 ( -3.010 2.575 -0.272) 3.971 4.934 ( 0.248 7.200 0.219) 7.208 5.046 ( -5.718 10.164 -0.019) 11.662 5.401 ( 0.020 1.862 -0.269) 1.881 5.659 ( 2.387 -0.169 0.425) 2.430 5.802 ( -3.513 21.785 0.323) 22.069 6.247 ( -2.647 2.024 -0.851) 3.439 6.404 ( -1.628 -4.442 0.647) 4.775 7.044 ( -14.205 17.120 -0.169) 22.246 8.601 ( 9.702 -6.795 -0.297) 11.848 8.845 ( 12.613 -14.579 0.548) 19.285 13.370 ( 4.822 -8.697 -0.069) 9.945 13.608 ( -6.713 -12.199 0.071) 13.924 15.053 ( -8.778 15.724 -0.031) 18.008 18.422 ( -4.956 18.736 -0.042) 19.380 19.643 ( 1.701 -15.859 0.111) 15.950 20.447 ( 7.458 -23.057 -0.114) 24.233 ======================= Grid point 59 (45/417) ======================= q-point: (-0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.441 ( -7.770 -1.908 -0.041) 8.001 4.645 ( -0.686 4.012 -0.169) 4.074 4.933 ( -6.295 3.125 0.119) 7.029 5.046 ( -6.069 10.156 -0.023) 11.831 5.405 ( -1.214 1.079 0.089) 1.627 5.656 ( -1.277 -2.532 0.162) 2.841 5.797 ( -17.663 13.932 -0.174) 22.497 6.254 ( 0.068 3.771 -0.287) 3.783 6.399 ( 4.169 -1.071 0.240) 4.311 7.046 ( -7.430 20.856 0.012) 22.140 8.602 ( 1.256 -11.838 -0.171) 11.905 8.843 ( 5.941 -18.292 0.299) 19.235 13.371 ( 5.199 -8.492 0.063) 9.958 13.607 ( 13.918 -0.297 0.016) 13.921 15.053 ( -9.250 15.460 -0.060) 18.016 18.421 ( -13.745 13.592 -0.099) 19.331 19.646 ( 13.025 -9.213 0.390) 15.959 20.445 ( 16.155 -18.080 -0.276) 24.247 ======================= Grid point 60 (46/417) ======================= q-point: (-0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.198 ( -16.163 -3.664 -0.046) 16.573 4.634 ( -6.849 5.126 -0.292) 8.560 4.803 ( -11.313 2.262 0.335) 11.542 5.013 ( -7.367 5.629 -0.190) 9.273 5.376 ( -4.341 1.572 0.604) 4.656 5.529 ( -20.003 3.332 -0.817) 20.296 5.579 ( -4.642 -1.995 0.110) 5.054 6.292 ( -1.686 5.295 0.139) 5.558 6.510 ( 8.219 0.296 -0.200) 8.227 7.178 ( -0.181 16.766 0.321) 16.770 8.424 ( -8.367 -9.569 -0.100) 12.712 8.697 ( -0.459 -19.319 0.032) 19.325 13.472 ( 13.713 -3.444 0.084) 14.139 13.967 ( 23.690 3.656 0.023) 23.970 15.046 ( -6.741 11.112 -0.064) 12.997 18.262 ( -13.912 5.457 -0.063) 14.944 19.859 ( 15.386 -1.076 0.366) 15.428 20.638 ( 22.724 -11.502 -0.260) 25.471 ======================= Grid point 61 (47/417) ======================= q-point: (-0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.816 ( -23.682 -2.882 -0.039) 23.857 4.444 ( -25.284 9.517 -0.322) 27.018 4.628 ( -7.294 -3.146 0.396) 7.953 4.886 ( -11.139 0.370 -0.167) 11.146 5.173 ( -15.859 0.781 -0.205) 15.880 5.356 ( -3.221 -0.954 0.403) 3.383 5.466 ( -6.597 -1.157 -0.329) 6.706 6.277 ( -6.626 4.982 0.121) 8.291 6.667 ( 9.156 0.167 -0.287) 9.162 7.338 ( 3.403 6.238 0.629) 7.133 8.170 ( -12.130 -1.456 -0.124) 12.218 8.463 ( -6.187 -14.302 -0.206) 15.584 13.764 ( 21.073 -0.143 0.056) 21.073 14.461 ( 27.665 4.000 0.031) 27.952 15.052 ( -1.112 4.478 -0.038) 4.614 18.085 ( -9.743 1.320 -0.024) 9.832 20.109 ( 12.296 1.140 0.135) 12.350 20.979 ( 24.889 -4.742 -0.074) 25.337 ======================= Grid point 62 (48/417) ======================= q-point: (-0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.326 ( -30.557 0.000 0.000) 30.557 3.962 ( -34.101 0.000 0.000) 34.101 4.458 ( -11.353 0.000 0.000) 11.353 4.651 ( -14.606 0.000 0.000) 14.606 4.974 ( -8.376 0.000 0.000) 8.376 5.294 ( -3.840 0.000 0.000) 3.840 5.323 ( -9.059 0.000 0.000) 9.059 6.151 ( -10.755 0.000 0.000) 10.755 6.817 ( 7.644 -0.000 -0.000) 7.644 7.337 ( -8.756 0.000 0.000) 8.756 8.073 ( 2.936 -0.000 -0.000) 2.936 8.220 ( -12.277 0.000 0.000) 12.277 14.164 ( 23.465 -0.000 -0.000) 23.465 14.980 ( 28.579 -0.000 -0.000) 28.579 15.121 ( 7.883 -0.000 -0.000) 7.883 17.961 ( -5.121 0.000 0.000) 5.121 20.285 ( 6.741 -0.000 -0.000) 6.741 21.370 ( 21.649 -0.000 -0.000) 21.649 ======================= Grid point 69 (49/417) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( -0.000 36.496 0.520) 36.499 2.699 ( -0.000 27.433 0.263) 27.434 4.189 ( 0.000 33.126 -1.393) 33.156 4.265 ( 0.000 9.835 -0.482) 9.847 4.881 ( -0.000 -0.053 0.330) 0.335 5.020 ( -0.000 15.133 4.586) 15.813 5.217 ( 0.000 4.016 -1.670) 4.349 5.615 ( -0.000 4.482 0.025) 4.482 6.951 ( 0.000 13.404 -3.298) 13.804 7.005 ( 0.000 12.484 -0.625) 12.500 8.030 ( -0.000 9.099 4.595) 10.194 8.415 ( 0.000 -7.021 -1.584) 7.198 14.553 ( 0.000 -19.456 0.214) 19.457 15.462 ( 0.000 -31.826 -0.413) 31.829 15.707 ( 0.000 -22.424 -1.494) 22.474 17.900 ( 0.000 -2.075 -0.197) 2.084 20.257 ( -0.000 4.870 0.896) 4.952 21.878 ( 0.000 -3.998 -1.963) 4.454 ======================= Grid point 70 (50/417) ======================= q-point: ( 0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.959 ( 5.313 34.451 0.475) 34.861 3.149 ( 19.441 24.111 0.333) 30.974 4.385 ( 2.417 9.686 -0.590) 10.000 4.473 ( -0.317 24.118 -1.117) 24.146 4.891 ( 1.256 1.947 0.665) 2.411 5.198 ( 3.312 9.590 2.938) 10.562 5.263 ( -0.072 7.017 -0.754) 7.058 5.763 ( 10.655 4.701 -0.065) 11.646 6.936 ( -2.092 -4.435 0.742) 4.959 7.212 ( 0.488 19.233 -3.795) 19.610 8.027 ( -0.315 -6.484 1.421) 6.645 8.427 ( -5.455 16.346 1.187) 17.273 14.369 ( 0.344 -19.424 0.130) 19.427 15.117 ( -2.774 -28.993 -0.373) 29.128 15.429 ( -6.218 -20.638 -0.869) 21.572 17.891 ( 1.319 -0.682 -0.146) 1.492 20.301 ( 1.115 -0.356 0.640) 1.334 21.739 ( -7.553 -10.035 -1.115) 12.609 ======================= Grid point 71 (51/417) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.405 ( 8.413 29.008 0.290) 30.205 3.802 ( 27.034 21.893 0.408) 34.789 4.519 ( 2.036 8.838 -0.552) 9.087 4.680 ( 2.421 15.112 -0.641) 15.318 4.980 ( 4.282 6.082 0.759) 7.477 5.292 ( 0.788 4.381 -1.404) 4.667 5.381 ( 2.423 8.800 2.803) 9.548 6.033 ( 13.455 4.686 -0.353) 14.252 6.827 ( -3.562 -7.210 1.076) 8.114 7.323 ( 0.459 2.165 -3.193) 3.885 8.018 ( 2.279 4.126 0.554) 4.746 8.485 ( -9.344 18.755 1.614) 21.016 14.122 ( -6.767 -20.029 -0.059) 21.141 14.822 ( -0.917 -25.948 -0.332) 25.966 15.123 ( -6.016 -13.187 -0.268) 14.497 17.945 ( 3.781 2.885 -0.072) 4.757 20.264 ( -1.872 -6.362 0.265) 6.637 21.419 ( -13.816 -15.187 -0.490) 20.537 ======================= Grid point 72 (52/417) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.818 ( 9.324 21.829 0.129) 23.738 4.443 ( 20.713 16.346 0.285) 26.387 4.629 ( 1.174 8.711 -0.313) 8.795 4.876 ( 6.112 9.706 -0.373) 11.476 5.183 ( 8.983 13.318 0.775) 16.083 5.337 ( 0.419 3.191 -1.290) 3.467 5.500 ( 2.002 5.808 2.071) 6.483 6.264 ( 7.272 3.041 -0.846) 7.928 6.682 ( -4.292 -8.131 1.053) 9.254 7.319 ( 3.697 -4.713 -1.742) 6.238 8.170 ( 4.870 10.606 0.152) 11.672 8.480 ( -9.272 12.287 1.178) 15.438 13.763 ( -10.734 -18.129 -0.145) 21.069 14.458 ( -10.304 -25.753 -0.198) 27.738 15.051 ( 4.533 -1.308 -0.002) 4.718 18.084 ( 6.090 7.763 -0.008) 9.866 20.110 ( -5.466 -11.158 -0.099) 12.426 20.977 ( -16.319 -19.159 -0.072) 25.167 ======================= Grid point 73 (53/417) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.160 ( 8.610 14.859 0.048) 17.173 4.673 ( 1.655 2.212 -0.391) 2.790 4.835 ( 5.819 10.806 0.486) 12.283 5.067 ( 4.568 7.524 -0.178) 8.804 5.371 ( 0.947 2.216 -0.888) 2.568 5.571 ( 3.518 5.759 1.909) 7.013 5.606 ( 12.791 22.010 -0.134) 25.458 6.326 ( -0.363 -0.791 -1.093) 1.397 6.527 ( -4.358 -7.574 0.768) 8.772 7.383 ( 2.643 5.252 -0.497) 5.901 8.351 ( 4.710 6.305 -0.048) 7.870 8.436 ( -1.490 -0.823 0.748) 1.859 13.434 ( -7.770 -13.351 -0.129) 15.448 14.003 ( -12.948 -22.388 -0.024) 25.863 15.171 ( 4.243 7.229 0.009) 8.382 18.312 ( 7.777 13.332 0.053) 15.435 19.864 ( -8.149 -13.369 -0.336) 15.660 20.501 ( -12.898 -22.925 0.158) 26.305 ======================= Grid point 74 (54/417) ======================= q-point: ( 0.56 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.411 ( 6.226 8.921 0.036) 10.878 4.687 ( -1.007 0.012 -0.294) 1.050 4.985 ( 2.125 6.544 0.372) 6.891 5.160 ( -0.235 3.982 -0.056) 3.989 5.417 ( 1.118 3.224 -0.482) 3.446 5.618 ( 1.574 -0.086 0.725) 1.735 6.075 ( 5.561 28.263 0.159) 28.805 6.282 ( -1.660 -1.696 -0.882) 2.532 6.398 ( -2.714 -4.886 0.491) 5.611 7.453 ( -8.459 17.028 0.020) 19.014 8.396 ( 3.975 -6.264 -0.008) 7.419 8.485 ( 10.236 -10.779 0.320) 14.868 13.250 ( -0.808 -7.540 -0.095) 7.584 13.599 ( -9.443 -17.002 0.070) 19.448 15.305 ( -1.288 12.739 -0.012) 12.804 18.608 ( 6.382 19.339 0.072) 20.365 19.570 ( -9.638 -13.167 -0.236) 16.320 20.118 ( -1.110 -26.288 0.092) 26.312 ======================= Grid point 75 (55/417) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.527 ( -1.713 2.817 0.033) 3.297 4.662 ( 0.144 0.092 -0.195) 0.259 5.039 ( -2.582 4.009 0.108) 4.770 5.171 ( -0.989 1.974 0.143) 2.212 5.448 ( -1.769 3.359 -0.255) 3.805 5.631 ( 1.145 -2.516 0.258) 2.777 6.253 ( -3.816 5.022 -0.634) 6.339 6.267 ( -4.217 9.367 0.311) 10.277 6.365 ( -3.630 5.979 0.151) 6.996 7.452 ( -12.412 21.463 0.094) 24.794 8.404 ( 6.453 -11.528 -0.267) 13.214 8.519 ( 9.830 -16.919 0.398) 19.571 13.231 ( 2.847 -4.704 -0.035) 5.498 13.400 ( 4.409 -7.819 0.071) 8.976 15.360 ( -7.435 12.867 -0.031) 14.861 18.814 ( -11.039 18.743 -0.154) 21.753 19.368 ( 5.807 -9.264 0.345) 10.939 19.971 ( 13.392 -23.537 -0.211) 27.081 ======================= Grid point 76 (56/417) ======================= q-point: (-0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.410 ( -10.833 -0.912 -0.018) 10.871 4.691 ( 0.598 1.020 -0.062) 1.184 4.979 ( -6.840 1.258 0.012) 6.955 5.163 ( -3.429 2.237 0.091) 4.095 5.425 ( -2.760 0.822 -0.073) 2.881 5.607 ( -1.416 -1.809 0.075) 2.299 6.070 ( -27.269 9.528 -0.163) 28.886 6.298 ( 2.711 0.821 -0.006) 2.832 6.388 ( 5.064 -0.169 0.049) 5.067 7.455 ( -10.239 15.732 0.094) 18.771 8.389 ( 3.719 -7.490 -0.419) 8.373 8.487 ( 3.654 -13.525 0.427) 14.016 13.252 ( 6.974 -3.081 0.032) 7.624 13.598 ( 19.494 -0.344 0.009) 19.497 15.304 ( -10.406 7.514 -0.028) 12.835 18.605 ( -19.837 4.124 -0.095) 20.261 19.579 ( 16.188 1.882 0.345) 16.301 20.113 ( 23.315 -12.266 -0.242) 26.346 ======================= Grid point 77 (57/417) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.159 ( -17.222 0.000 0.000) 17.222 4.680 ( -2.599 0.000 0.000) 2.599 4.826 ( -12.350 0.000 0.000) 12.350 5.070 ( -8.608 0.000 0.000) 8.608 5.388 ( -1.806 0.000 0.000) 1.806 5.537 ( -9.403 0.000 0.000) 9.403 5.609 ( -24.007 0.000 0.000) 24.007 6.346 ( 0.866 -0.000 -0.000) 0.866 6.512 ( 8.464 -0.000 -0.000) 8.464 7.392 ( -5.030 0.000 0.000) 5.030 8.352 ( -8.054 0.000 0.000) 8.054 8.422 ( 1.210 -0.000 -0.000) 1.210 13.436 ( 15.479 -0.000 -0.000) 15.479 14.003 ( 25.988 -0.000 -0.000) 25.988 15.171 ( -8.396 0.000 0.000) 8.396 18.311 ( -15.382 0.000 0.000) 15.382 19.870 ( 15.533 -0.000 -0.000) 15.533 20.498 ( 26.416 -0.000 -0.000) 26.416 ======================= Grid point 86 (58/417) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.205 ( -0.000 22.653 0.400) 22.656 3.261 ( -0.000 33.167 0.352) 33.169 4.437 ( 0.000 7.419 -0.674) 7.450 4.722 ( 0.000 20.971 -0.898) 20.990 4.873 ( -0.000 -1.018 0.480) 1.125 5.264 ( -0.000 7.091 0.508) 7.109 5.350 ( -0.000 9.882 1.548) 10.003 5.711 ( -0.000 4.949 -0.006) 4.949 6.896 ( -0.000 -7.252 1.098) 7.335 7.332 ( 0.000 3.309 -3.661) 4.935 8.008 ( -0.000 5.314 0.506) 5.338 8.683 ( -0.000 21.656 1.720) 21.724 14.168 ( 0.000 -18.435 0.171) 18.436 14.846 ( 0.000 -28.871 -0.330) 28.873 15.275 ( 0.000 -19.926 -0.616) 19.935 17.860 ( 0.000 -1.788 -0.166) 1.796 20.292 ( -0.000 -0.949 0.485) 1.066 21.696 ( 0.000 -12.327 -0.723) 12.348 ======================= Grid point 87 (59/417) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.582 ( 13.229 20.656 0.297) 24.531 3.618 ( 8.275 28.545 0.350) 29.722 4.533 ( 3.168 6.021 -0.682) 6.838 4.815 ( -2.498 6.619 0.007) 7.074 4.970 ( 4.633 9.372 0.188) 10.456 5.329 ( 0.285 5.313 -1.162) 5.446 5.457 ( 0.383 9.224 2.485) 9.560 5.855 ( 10.168 4.360 -0.109) 11.064 6.801 ( -2.030 -8.359 1.180) 8.683 7.258 ( -0.094 -13.175 -2.723) 13.454 8.139 ( -1.028 19.514 -0.089) 19.541 8.838 ( -6.893 19.741 1.496) 20.963 13.995 ( -0.576 -17.116 0.070) 17.126 14.560 ( -0.282 -25.942 -0.257) 25.945 15.052 ( -3.182 -16.403 -0.301) 16.712 17.883 ( 4.345 -0.112 -0.122) 4.348 20.252 ( -2.578 -4.009 0.272) 4.774 21.482 ( -9.067 -14.114 -0.392) 16.780 ======================= Grid point 88 (60/417) ======================= q-point: ( 0.44 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.924 ( 4.727 22.031 0.119) 22.532 4.194 ( 24.967 16.801 0.280) 30.095 4.651 ( 3.857 5.132 -0.563) 6.444 4.866 ( 3.063 3.741 0.156) 4.837 5.166 ( 6.552 11.458 0.543) 13.210 5.373 ( -0.324 4.333 -1.312) 4.539 5.550 ( 0.238 6.851 1.979) 7.135 6.103 ( 12.651 2.484 -0.444) 12.900 6.670 ( -3.438 -8.289 1.076) 9.038 7.129 ( 4.335 -15.102 -1.687) 15.802 8.312 ( -2.474 19.305 -0.292) 19.465 8.845 ( -12.835 15.539 1.131) 20.186 13.762 ( -7.704 -14.833 -0.081) 16.715 14.304 ( -1.900 -24.724 -0.133) 24.797 14.916 ( 4.131 -7.771 -0.063) 8.801 18.015 ( 8.681 3.923 -0.062) 9.526 20.110 ( -6.691 -8.323 0.038) 10.679 21.109 ( -16.537 -14.562 -0.134) 22.035 ======================= Grid point 89 (61/417) ======================= q-point: ( 0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.198 ( 4.917 15.775 0.053) 16.523 4.622 ( 7.794 3.374 -0.175) 8.495 4.814 ( 7.980 8.595 0.129) 11.729 5.007 ( 8.576 3.798 -0.033) 9.380 5.375 ( 1.388 2.073 -0.639) 2.575 5.520 ( 15.503 16.890 0.319) 22.929 5.609 ( -0.365 4.297 1.184) 4.472 6.272 ( 5.076 -1.457 -0.877) 5.354 6.528 ( -4.017 -7.137 0.772) 8.226 7.172 ( 15.235 -7.891 -0.572) 17.166 8.415 ( -4.094 11.803 -0.221) 12.495 8.716 ( -16.627 10.112 0.731) 19.474 13.471 ( -9.901 -10.106 -0.118) 14.148 13.968 ( -8.644 -22.212 -0.013) 23.835 15.044 ( 13.069 0.242 0.002) 13.071 18.260 ( 11.764 9.249 0.007) 14.964 19.864 ( -8.975 -12.438 -0.172) 15.339 20.633 ( -21.071 -14.156 0.052) 25.385 ======================= Grid point 90 (62/417) ======================= q-point: ( 0.56 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.410 ( 4.658 9.853 0.040) 10.899 4.683 ( 0.800 -0.990 -0.243) 1.296 4.987 ( 4.378 5.093 0.333) 6.725 5.163 ( 3.570 2.134 -0.085) 4.160 5.412 ( 2.336 2.215 -0.400) 3.244 5.625 ( -1.314 1.484 0.622) 2.078 6.070 ( 21.831 18.730 0.216) 28.765 6.277 ( -0.045 -2.422 -0.763) 2.539 6.402 ( -3.210 -4.543 0.377) 5.575 7.456 ( 18.877 1.255 -0.017) 18.919 8.383 ( -7.421 0.389 0.162) 7.433 8.500 ( -14.660 3.532 0.124) 15.080 13.251 ( -6.195 -4.471 -0.100) 7.641 13.600 ( -10.037 -16.625 0.061) 19.420 15.304 ( 11.765 5.219 -0.001) 12.871 18.605 ( 13.700 14.959 0.102) 20.285 19.579 ( -7.116 -14.350 -0.353) 16.021 20.111 ( -21.825 -14.462 0.182) 26.182 ======================= Grid point 91 (63/417) ======================= q-point: ( 0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.558 ( 3.154 5.581 0.074) 6.411 4.656 ( -1.335 -2.729 -0.172) 3.043 5.093 ( 2.308 4.134 0.216) 4.739 5.173 ( -1.169 -1.667 -0.102) 2.039 5.497 ( 2.716 3.988 -0.186) 4.828 5.595 ( -1.668 -2.177 0.274) 2.756 6.248 ( 0.006 -0.974 -0.321) 1.026 6.305 ( -1.328 -1.646 0.204) 2.125 6.565 ( 8.366 14.326 -0.054) 16.590 7.759 ( 5.616 10.336 0.122) 11.764 8.223 ( -2.320 -5.357 0.225) 5.842 8.306 ( -5.487 -8.206 -0.152) 9.873 13.183 ( 0.542 0.848 -0.083) 1.010 13.319 ( -5.856 -9.972 0.089) 11.565 15.501 ( 3.248 5.567 -0.008) 6.445 19.025 ( 12.712 21.059 0.203) 24.599 19.357 ( -6.062 -8.083 -0.425) 10.113 19.620 ( -11.252 -20.989 0.197) 23.816 ======================= Grid point 92 (64/417) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.556 ( -6.332 0.000 0.000) 6.332 4.660 ( 3.154 -0.000 -0.000) 3.154 5.088 ( -4.970 0.000 0.000) 4.970 5.176 ( 2.050 -0.000 -0.000) 2.050 5.502 ( -4.669 0.000 0.000) 4.669 5.588 ( 2.337 -0.000 -0.000) 2.337 6.257 ( 1.669 -0.000 -0.000) 1.669 6.298 ( 1.487 -0.000 -0.000) 1.487 6.566 ( -16.535 0.000 0.000) 16.535 7.756 ( -11.786 0.000 0.000) 11.786 8.218 ( 5.358 -0.000 -0.000) 5.358 8.309 ( 9.986 -0.000 -0.000) 9.986 13.185 ( -1.002 0.000 0.000) 1.002 13.317 ( 11.572 -0.000 -0.000) 11.572 15.501 ( -6.438 0.000 0.000) 6.438 19.020 ( -24.420 0.000 0.000) 24.420 19.367 ( 10.009 -0.000 -0.000) 10.009 19.615 ( 23.713 -0.000 -0.000) 23.713 ======================= Grid point 103 (65/417) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.607 ( -0.000 16.943 0.413) 16.948 3.877 ( -0.000 27.399 0.169) 27.400 4.555 ( 0.000 4.654 -0.656) 4.700 4.843 ( -0.000 -2.060 0.444) 2.107 5.056 ( -0.000 13.281 0.063) 13.281 5.379 ( 0.000 5.285 -1.304) 5.443 5.550 ( -0.000 8.243 2.153) 8.520 5.807 ( -0.000 4.374 -0.004) 4.374 6.735 ( -0.000 -8.687 1.187) 8.768 7.082 ( 0.000 -19.242 -2.237) 19.372 8.377 ( 0.000 23.407 -0.461) 23.412 9.091 ( -0.000 17.054 1.291) 17.102 13.833 ( 0.000 -14.451 0.112) 14.451 14.319 ( 0.000 -22.895 -0.239) 22.896 14.914 ( 0.000 -15.398 -0.184) 15.399 17.828 ( 0.000 -1.269 -0.117) 1.274 20.249 ( -0.000 -2.947 0.205) 2.954 21.424 ( 0.000 -13.463 -0.263) 13.465 ======================= Grid point 104 (66/417) ======================= q-point: ( 0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.917 ( 16.290 13.399 0.323) 21.095 4.142 ( 2.128 21.727 0.061) 21.831 4.624 ( 3.202 3.336 -0.570) 4.659 4.837 ( 1.737 -1.190 0.355) 2.135 5.199 ( 2.650 10.390 0.540) 10.736 5.424 ( -0.351 4.867 -1.246) 5.036 5.625 ( -0.387 6.385 1.593) 6.592 5.931 ( 8.992 3.072 -0.110) 9.503 6.636 ( -1.793 -7.951 1.083) 8.222 6.896 ( 2.055 -18.562 -1.725) 18.755 8.572 ( -3.140 20.070 -0.508) 20.321 9.178 ( -7.630 12.984 1.012) 15.094 13.708 ( -0.683 -10.830 0.028) 10.852 14.092 ( -1.414 -19.918 -0.148) 19.969 14.778 ( 1.044 -10.529 -0.064) 10.581 17.884 ( 7.423 0.218 -0.081) 7.427 20.167 ( -5.887 -4.032 0.092) 7.136 21.211 ( -9.566 -11.719 -0.132) 15.128 ======================= Grid point 105 (67/417) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.282 ( 5.159 13.560 0.126) 14.509 4.449 ( 16.083 7.351 0.023) 17.683 4.734 ( 7.255 3.728 -0.437) 8.169 4.892 ( 5.367 -0.371 0.289) 5.387 5.352 ( 4.099 4.744 0.236) 6.274 5.487 ( 3.403 8.261 -0.436) 8.945 5.669 ( -0.947 4.145 0.942) 4.355 6.128 ( 9.724 0.148 -0.410) 9.734 6.525 ( -3.025 -5.951 0.773) 6.720 6.827 ( 10.439 -12.586 -0.891) 16.376 8.654 ( -6.835 13.147 -0.371) 14.822 9.095 ( -14.268 8.556 0.667) 16.650 13.558 ( -7.691 -4.746 -0.075) 9.038 13.860 ( -3.361 -18.515 -0.009) 18.817 14.801 ( 10.728 -3.700 -0.007) 11.348 18.089 ( 13.970 3.039 -0.038) 14.297 19.960 ( -11.879 -5.893 -0.013) 13.260 20.868 ( -17.658 -8.773 -0.029) 19.717 ======================= Grid point 106 (68/417) ======================= q-point: ( 0.56 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.441 ( 2.266 7.750 0.052) 8.075 4.633 ( 3.969 -1.425 -0.133) 4.220 4.942 ( 5.835 3.693 0.110) 6.906 5.045 ( 12.315 0.382 -0.005) 12.321 5.398 ( 0.593 0.614 -0.237) 0.886 5.675 ( -1.722 1.841 0.243) 2.533 5.801 ( 20.962 8.721 0.345) 22.707 6.223 ( 3.221 -2.189 -0.450) 3.920 6.422 ( -3.458 -3.063 0.293) 4.629 7.041 ( 22.639 -3.938 -0.129) 22.980 8.590 ( -10.782 4.821 -0.133) 11.812 8.866 ( -19.106 3.957 0.271) 19.514 13.371 ( -10.011 -0.260 -0.078) 10.015 13.609 ( -7.186 -11.818 0.048) 13.831 15.051 ( 18.076 0.255 0.001) 18.078 18.417 ( 18.601 4.995 0.009) 19.260 19.658 ( -14.627 -6.343 -0.077) 15.944 20.435 ( -23.582 -5.125 0.028) 24.133 ======================= Grid point 107 (69/417) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.529 ( 3.359 -0.000 -0.000) 3.359 4.654 ( 0.210 -0.000 -0.000) 0.210 5.043 ( 4.637 -0.000 -0.000) 4.637 5.176 ( 2.021 -0.000 -0.000) 2.021 5.438 ( 4.016 -0.000 -0.000) 4.016 5.641 ( -3.016 0.000 0.000) 3.016 6.238 ( 0.584 -0.000 -0.000) 0.584 6.270 ( 18.168 -0.000 -0.000) 18.168 6.371 ( 4.695 -0.000 -0.000) 4.695 7.456 ( 25.016 -0.000 -0.000) 25.016 8.394 ( -13.101 0.000 0.000) 13.101 8.534 ( -20.000 0.000 0.000) 20.000 13.230 ( -5.558 0.000 0.000) 5.558 13.403 ( -8.985 0.000 0.000) 8.985 15.359 ( 14.930 -0.000 -0.000) 14.930 18.808 ( 21.637 -0.000 -0.000) 21.637 19.382 ( -10.951 0.000 0.000) 10.951 19.963 ( -26.931 0.000 0.000) 26.931 ======================= Grid point 121 (70/417) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.879 ( -0.000 9.658 0.270) 9.662 4.331 ( -0.000 16.674 -0.010) 16.674 4.621 ( 0.000 2.212 -0.378) 2.244 4.800 ( -0.000 -2.116 0.227) 2.128 5.271 ( -0.000 7.730 0.646) 7.757 5.474 ( 0.000 5.048 -0.973) 5.141 5.687 ( -0.000 4.470 1.025) 4.586 5.879 ( -0.000 2.561 0.003) 2.561 6.580 ( -0.000 -6.632 1.107) 6.723 6.694 ( 0.000 -16.370 -1.640) 16.452 8.782 ( 0.000 15.369 -0.485) 15.377 9.357 ( -0.000 8.708 0.773) 8.743 13.605 ( 0.000 -7.959 0.053) 7.959 13.951 ( 0.000 -13.010 -0.135) 13.011 14.670 ( 0.000 -8.540 -0.022) 8.540 17.808 ( 0.000 -0.646 -0.060) 0.649 20.195 ( -0.000 -2.093 0.064) 2.094 21.193 ( 0.000 -8.581 -0.084) 8.582 ======================= Grid point 122 (71/417) ======================= q-point: ( 0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.111 ( 16.660 5.196 0.138) 17.452 4.449 ( -0.758 7.967 -0.026) 8.003 4.664 ( 3.167 0.941 -0.249) 3.314 4.813 ( 3.232 -0.769 0.151) 3.325 5.346 ( 1.671 3.419 0.330) 3.819 5.524 ( 0.455 4.740 -0.344) 4.774 5.716 ( -0.547 1.973 0.452) 2.097 5.971 ( 7.758 0.967 -0.065) 7.818 6.518 ( -1.366 -3.397 0.925) 3.777 6.584 ( 3.879 -9.687 -1.167) 10.500 8.864 ( -4.258 7.968 -0.275) 9.038 9.356 ( -7.672 4.340 0.409) 8.824 13.575 ( 2.278 -2.605 0.010) 3.461 13.792 ( -6.023 -8.724 -0.053) 10.601 14.635 ( 4.049 -3.628 -0.002) 5.437 17.888 ( 9.438 0.142 -0.028) 9.439 20.108 ( -8.013 -1.606 0.019) 8.172 21.042 ( -9.604 -4.529 -0.030) 10.618 ======================= Grid point 123 (72/417) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.466 ( 16.220 -0.000 -0.000) 16.220 4.472 ( -0.288 0.000 0.000) 0.288 4.783 ( 11.825 -0.000 -0.000) 11.825 4.881 ( 4.507 -0.000 -0.000) 4.507 5.390 ( 1.259 -0.000 -0.000) 1.259 5.603 ( 6.848 -0.000 -0.000) 6.848 5.712 ( -1.135 0.000 0.000) 1.135 6.120 ( 7.528 -0.000 -0.000) 7.528 6.463 ( -2.928 0.000 0.000) 2.928 6.685 ( 14.076 -0.000 -0.000) 14.076 8.791 ( -8.455 0.000 0.000) 8.455 9.184 ( -14.454 0.000 0.000) 14.454 13.573 ( -11.499 0.000 0.000) 11.499 13.605 ( -0.105 0.000 0.000) 0.105 14.764 ( 13.000 -0.000 -0.000) 13.000 18.122 ( 16.473 -0.000 -0.000) 16.473 19.897 ( -14.388 0.000 0.000) 14.388 20.777 ( -17.897 0.000 0.000) 17.897 ======================= Grid point 140 (73/417) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 586 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.980 ( -0.000 0.000 0.000) 0.000 4.505 ( -0.000 0.000 0.000) 0.000 4.642 ( 0.000 0.000 -0.000) 0.000 4.776 ( -0.000 0.000 0.000) 0.000 5.351 ( -0.000 0.000 0.000) 0.000 5.547 ( -0.000 0.000 0.000) 0.000 5.730 ( -0.000 0.000 0.000) 0.000 5.905 ( -0.000 0.000 0.000) 0.000 6.493 ( -0.000 0.000 0.000) 0.000 6.519 ( 0.000 -0.000 -0.000) 0.000 8.942 ( -0.000 0.000 0.000) 0.000 9.445 ( -0.000 0.000 0.000) 0.000 13.524 ( -0.000 0.000 0.000) 0.000 13.817 ( -0.000 0.000 0.000) 0.000 14.582 ( -0.000 0.000 0.000) 0.000 17.802 ( -0.000 0.000 0.000) 0.000 20.174 ( -0.000 0.000 0.000) 0.000 21.103 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 280 (74/417) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.042 ( -0.000 0.000 6.403) 6.403 0.042 ( -0.000 0.000 6.403) 6.403 0.110 ( -0.000 0.000 16.493) 16.493 3.653 ( 0.000 -0.000 -0.220) 0.220 3.653 ( 0.000 -0.000 -0.220) 0.220 4.859 ( -0.000 0.000 0.182) 0.182 4.859 ( -0.000 0.000 0.182) 0.182 5.410 ( 0.000 -0.000 -0.062) 0.062 5.410 ( 0.000 -0.000 -0.062) 0.062 5.432 ( 0.000 -0.000 -0.806) 0.806 8.239 ( -0.000 0.000 0.972) 0.972 9.584 ( 0.000 -0.000 -0.129) 0.129 15.518 ( -0.000 0.000 0.008) 0.008 15.518 ( -0.000 0.000 0.008) 0.008 17.387 ( -0.000 0.000 0.021) 0.021 18.015 ( 0.000 -0.000 -0.003) 0.003 18.015 ( 0.000 -0.000 -0.003) 0.003 19.618 ( 0.000 -0.000 -0.256) 0.256 ======================= Grid point 281 (75/417) ======================= q-point: ( 0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( 21.818 12.596 5.611) 25.810 0.744 ( 31.300 18.071 1.083) 36.158 1.216 ( 51.888 29.957 0.003) 59.915 3.705 ( 4.441 2.564 -0.431) 5.147 3.829 ( 13.724 7.924 -0.153) 15.848 4.863 ( 0.243 0.140 0.355) 0.453 5.302 ( -5.012 -2.893 -3.592) 6.811 5.425 ( 1.254 0.724 -0.160) 1.457 5.612 ( 16.959 9.791 -4.085) 20.004 5.838 ( 17.294 9.985 -6.113) 20.884 7.879 ( -4.376 -2.526 10.381) 11.546 9.457 ( -9.506 -5.489 -2.712) 11.307 15.445 ( -6.175 -3.565 -0.070) 7.131 17.097 ( -15.187 -8.768 -14.164) 22.542 17.511 ( -28.542 -16.479 2.232) 33.033 18.007 ( -0.720 -0.416 0.068) 0.834 19.109 ( 37.865 21.861 -8.805) 44.601 20.677 ( 38.716 22.353 -56.990) 72.432 ======================= Grid point 282 (76/417) ======================= q-point: ( 0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 30.871 17.823 2.497) 35.734 1.457 ( 29.729 17.164 0.934) 34.340 2.384 ( 48.126 27.786 0.231) 55.572 3.849 ( 7.794 4.500 -0.599) 9.020 4.210 ( 17.682 10.209 0.554) 20.425 4.872 ( 0.398 0.230 0.461) 0.651 5.204 ( -2.524 -1.457 -1.792) 3.421 5.466 ( 2.300 1.328 -0.205) 2.663 6.063 ( 20.382 11.767 -8.264) 24.944 6.270 ( 21.417 12.365 3.297) 24.949 7.811 ( -3.129 -1.807 7.577) 8.394 9.157 ( -15.039 -8.683 -2.723) 17.578 15.237 ( -11.485 -6.631 -0.093) 13.262 16.649 ( -20.106 -11.608 -7.056) 24.265 16.826 ( -29.829 -17.222 1.765) 34.489 17.983 ( -1.353 -0.781 0.086) 1.565 19.754 ( 20.295 11.717 7.251) 24.531 21.352 ( 26.877 15.517 -23.714) 39.057 ======================= Grid point 283 (77/417) ======================= q-point: ( 0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 32.683 18.869 1.387) 37.764 2.120 ( 27.135 15.667 0.882) 31.345 3.418 ( 40.246 23.236 0.171) 46.472 4.049 ( 9.227 5.327 -0.710) 10.678 4.611 ( 16.148 9.323 1.478) 18.704 4.882 ( 0.326 0.188 0.507) 0.632 5.182 ( 0.971 0.561 -1.141) 1.600 5.529 ( 3.148 1.817 -0.201) 3.640 6.502 ( 19.765 11.412 -6.387) 23.700 6.770 ( 17.833 10.296 1.166) 20.625 7.804 ( 2.735 1.579 6.463) 7.193 8.780 ( -16.270 -9.393 -1.544) 18.850 14.924 ( -15.216 -8.785 -0.056) 17.570 16.119 ( -27.311 -15.768 -0.499) 31.540 16.191 ( -22.088 -12.753 -2.252) 25.605 17.947 ( -1.755 -1.013 0.047) 2.027 20.118 ( 10.436 6.025 4.408) 12.832 21.768 ( 11.459 6.616 -9.187) 16.108 ======================= Grid point 284 (78/417) ======================= q-point: ( 0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 31.462 18.164 0.824) 36.338 2.713 ( 23.694 13.680 0.818) 27.372 4.224 ( 28.841 16.651 -0.173) 33.303 4.258 ( 8.629 4.982 -0.757) 9.992 4.886 ( -0.194 -0.112 0.506) 0.553 4.946 ( 12.198 7.042 1.260) 14.141 5.246 ( 4.688 2.706 -0.032) 5.413 5.611 ( 3.918 2.262 -0.163) 4.527 6.958 ( 15.269 8.816 -3.998) 18.079 6.996 ( 6.443 3.720 -0.009) 7.440 7.973 ( 6.212 3.587 2.047) 7.460 8.482 ( -4.542 -2.623 1.431) 5.437 14.548 ( -16.791 -9.694 0.015) 19.388 15.467 ( -27.781 -16.039 -0.167) 32.079 15.714 ( -19.529 -11.275 -1.268) 22.586 17.904 ( -1.849 -1.068 -0.022) 2.136 20.276 ( 3.074 1.775 1.726) 3.947 21.852 ( -2.302 -1.329 -3.047) 4.044 ======================= Grid point 285 (79/417) ======================= q-point: ( 0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.217 ( 19.527 11.274 0.706) 22.559 3.265 ( 28.558 16.488 0.462) 32.979 4.435 ( 6.674 3.853 -0.728) 7.741 4.760 ( 17.892 10.330 -0.207) 20.661 4.872 ( -1.142 -0.659 0.458) 1.396 5.178 ( 8.053 4.649 -0.511) 9.313 5.392 ( 7.165 4.136 1.675) 8.441 5.707 ( 4.325 2.497 -0.106) 4.996 6.903 ( -6.525 -3.767 1.386) 7.660 7.307 ( 2.749 1.587 -4.285) 5.333 8.001 ( 6.431 3.713 0.320) 7.433 8.705 ( 16.954 9.788 2.183) 19.698 14.164 ( -15.863 -9.159 0.077) 18.317 14.848 ( -25.180 -14.538 -0.291) 29.077 15.281 ( -17.371 -10.029 -0.454) 20.063 17.863 ( -1.632 -0.942 -0.081) 1.886 20.292 ( -1.410 -0.814 0.466) 1.693 21.692 ( -10.035 -5.794 -0.818) 11.616 ======================= Grid point 286 (80/417) ======================= q-point: ( 0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.616 ( 14.577 8.416 0.530) 16.840 3.876 ( 23.600 13.625 0.188) 27.251 4.562 ( 4.332 2.501 -0.618) 5.041 4.835 ( -2.067 -1.193 0.372) 2.416 5.083 ( 10.519 6.073 0.299) 12.150 5.341 ( 6.548 3.780 -1.429) 7.695 5.554 ( 6.034 3.484 1.899) 7.221 5.804 ( 3.802 2.195 -0.046) 4.390 6.731 ( -7.963 -4.598 1.171) 9.269 7.085 ( -15.460 -8.926 -2.182) 17.985 8.377 ( 20.289 11.714 -0.471) 23.433 9.086 ( 14.131 8.158 1.239) 16.364 13.832 ( -12.410 -7.165 0.091) 14.331 14.318 ( -19.906 -11.493 -0.251) 22.987 14.919 ( -13.442 -7.761 -0.122) 15.523 17.830 ( -1.178 -0.680 -0.095) 1.364 20.237 ( -2.838 -1.639 0.064) 3.278 21.432 ( -11.320 -6.536 -0.160) 13.073 ======================= Grid point 287 (81/417) ======================= q-point: ( 0.50 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.886 ( 8.289 4.785 0.272) 9.575 4.329 ( 14.532 8.390 -0.005) 16.780 4.635 ( 2.131 1.230 -0.446) 2.500 4.785 ( -2.027 -1.170 0.292) 2.359 5.264 ( 5.090 2.939 0.621) 5.911 5.482 ( 5.712 3.298 -1.097) 6.686 5.670 ( 3.442 1.987 1.140) 4.135 5.875 ( 2.218 1.280 0.004) 2.561 6.563 ( -6.101 -3.522 0.749) 7.084 6.728 ( -13.106 -7.567 -1.250) 15.185 8.789 ( 13.699 7.909 -0.522) 15.826 9.336 ( 6.973 4.026 0.807) 8.092 13.605 ( -6.834 -3.946 0.053) 7.892 13.950 ( -11.259 -6.500 -0.136) 13.002 14.673 ( -7.475 -4.316 -0.021) 8.632 17.809 ( -0.599 -0.346 -0.060) 0.695 20.179 ( -1.923 -1.110 0.062) 2.221 21.207 ( -7.290 -4.209 -0.082) 8.418 ======================= Grid point 288 (82/417) ======================= q-point: (-0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.985 ( -0.092 -0.053 -0.055) 0.120 4.506 ( 0.028 0.016 -0.015) 0.036 4.660 ( 0.086 0.050 -0.252) 0.270 4.758 ( -0.037 -0.021 0.259) 0.262 5.322 ( -0.162 -0.093 0.345) 0.393 5.566 ( 0.212 0.122 -0.264) 0.360 5.708 ( -0.224 -0.129 0.306) 0.401 5.902 ( 0.006 0.003 0.041) 0.041 6.483 ( -0.189 -0.109 0.035) 0.221 6.559 ( 0.287 0.165 -0.386) 0.509 8.958 ( 0.157 0.090 -0.198) 0.268 9.414 ( -0.190 -0.110 0.390) 0.448 13.524 ( -0.015 -0.009 -0.006) 0.019 13.816 ( 0.041 0.024 0.006) 0.048 14.584 ( -0.006 -0.003 -0.024) 0.025 17.802 ( 0.016 0.009 -0.005) 0.019 20.156 ( 0.025 0.014 0.202) 0.204 21.119 ( -0.016 -0.009 -0.183) 0.184 ======================= Grid point 289 (83/417) ======================= q-point: (-0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.882 ( -8.438 -4.872 -0.335) 9.749 4.329 ( -14.583 -8.419 0.042) 16.839 4.638 ( -1.960 -1.131 -0.024) 2.263 4.784 ( 1.923 1.110 0.163) 2.226 5.258 ( -5.350 -3.089 -0.279) 6.184 5.494 ( -5.012 -2.894 0.642) 5.823 5.659 ( -4.079 -2.355 -0.463) 4.733 5.876 ( -2.203 -1.272 0.071) 2.545 6.556 ( 5.823 3.362 -0.238) 6.728 6.738 ( 13.612 7.859 0.229) 15.720 8.795 ( -13.540 -7.817 0.217) 15.636 9.330 ( -7.281 -4.204 -0.127) 8.408 13.604 ( 6.814 3.934 -0.039) 7.869 13.951 ( 11.326 6.539 0.124) 13.079 14.673 ( 7.487 4.323 -0.051) 8.645 17.810 ( 0.621 0.358 0.029) 0.718 20.181 ( 1.927 1.113 0.301) 2.245 21.206 ( 7.310 4.220 -0.242) 8.444 ======================= Grid point 290 (84/417) ======================= q-point: (-0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.609 ( -14.679 -8.475 -0.506) 16.958 3.874 ( -23.740 -13.706 -0.087) 27.413 4.567 ( -4.194 -2.421 0.194) 4.846 4.832 ( 1.954 1.128 -0.005) 2.257 5.075 ( -10.381 -5.994 -0.801) 12.014 5.365 ( -6.390 -3.689 1.964) 7.635 5.531 ( -6.424 -3.709 -1.451) 7.558 5.805 ( -3.780 -2.182 0.104) 4.366 6.719 ( 7.707 4.449 -0.550) 8.916 7.107 ( 16.333 9.430 1.147) 18.895 8.383 ( -20.445 -11.804 0.261) 23.610 9.073 ( -14.541 -8.395 -0.615) 16.802 13.831 ( 12.415 7.168 -0.014) 14.336 14.321 ( 19.936 11.510 0.165) 23.021 14.920 ( 13.524 7.808 -0.045) 15.616 17.831 ( 1.177 0.679 0.013) 1.359 20.238 ( 2.705 1.562 0.216) 3.131 21.432 ( 11.515 6.648 -0.092) 13.297 ======================= Grid point 291 (85/417) ======================= q-point: (-0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.208 ( -19.595 -11.313 -0.592) 22.634 3.259 ( -28.725 -16.584 -0.285) 33.170 4.443 ( -6.588 -3.804 0.341) 7.615 4.755 ( -17.731 -10.237 -0.965) 20.497 4.867 ( 1.055 0.609 -0.161) 1.229 5.197 ( -8.815 -5.089 2.421) 10.463 5.370 ( -6.638 -3.832 -1.687) 7.848 5.709 ( -4.298 -2.482 0.143) 4.965 6.888 ( 6.505 3.755 -0.685) 7.542 7.353 ( -1.962 -1.133 2.397) 3.298 7.999 ( -6.309 -3.643 0.043) 7.285 8.680 ( -17.818 -10.287 -1.520) 20.630 14.164 ( 15.889 9.174 0.062) 18.347 14.850 ( 25.150 14.521 0.090) 29.041 15.285 ( 17.589 10.155 0.018) 20.310 17.863 ( 1.609 0.929 -0.051) 1.859 20.287 ( 0.993 0.573 -0.172) 1.159 21.701 ( 10.655 6.152 0.432) 12.311 ======================= Grid point 292 (86/417) ======================= q-point: (-0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( -31.666 -18.282 -0.440) 36.567 2.703 ( -23.736 -13.704 -0.613) 27.415 4.218 ( -28.828 -16.644 -1.080) 33.305 4.266 ( -8.599 -4.965 0.387) 9.937 4.880 ( 0.148 0.085 -0.256) 0.308 4.950 ( -12.934 -7.467 1.878) 15.052 5.242 ( -3.882 -2.241 -0.697) 4.537 5.613 ( -3.897 -2.250 0.181) 4.503 6.976 ( -0.530 -0.306 -0.258) 0.664 7.013 ( -20.589 -11.887 1.285) 23.808 7.966 ( -8.896 -5.136 1.098) 10.331 8.457 ( 6.493 3.748 -2.281) 7.836 14.549 ( 16.819 9.711 0.148) 19.422 15.467 ( 27.679 15.980 -0.102) 31.961 15.723 ( 19.975 11.533 0.076) 23.066 17.903 ( 1.822 1.052 -0.128) 2.108 20.258 ( -4.007 -2.314 -0.984) 4.731 21.883 ( 3.904 2.254 1.486) 4.747 ======================= Grid point 293 (87/417) ======================= q-point: (-0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -32.985 -19.044 -0.488) 38.090 2.110 ( -27.163 -15.683 -0.584) 31.371 3.411 ( -40.145 -23.178 -0.926) 46.365 4.056 ( -9.245 -5.338 0.333) 10.680 4.612 ( -16.295 -9.408 1.730) 18.895 4.877 ( -0.331 -0.191 -0.265) 0.466 5.189 ( -0.567 -0.328 -0.127) 0.667 5.532 ( -3.144 -1.815 0.191) 3.635 6.552 ( -18.565 -10.719 0.531) 21.444 6.758 ( -19.086 -11.019 -0.508) 22.044 7.756 ( -3.906 -2.255 -0.397) 4.527 8.786 ( 17.167 9.911 -0.717) 19.835 14.925 ( 15.226 8.791 0.197) 17.583 16.123 ( 28.619 16.523 -0.012) 33.047 16.204 ( 21.407 12.359 -0.447) 24.722 17.945 ( 1.743 1.006 -0.175) 2.020 20.073 ( -11.980 -6.917 -2.187) 14.005 21.849 ( -7.919 -4.572 2.664) 9.524 ======================= Grid point 294 (88/417) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -31.391 -18.124 -0.200) 36.248 1.447 ( -29.758 -17.181 -0.510) 34.366 2.380 ( -47.865 -27.635 -0.378) 55.271 3.854 ( -7.849 -4.532 0.196) 9.065 4.216 ( -17.722 -10.232 1.474) 20.517 4.867 ( -0.364 -0.210 -0.181) 0.458 5.216 ( 2.885 1.666 -0.059) 3.332 5.468 ( -2.320 -1.339 0.152) 2.683 6.148 ( -18.818 -10.865 4.036) 22.101 6.203 ( -22.985 -13.270 -6.532) 27.333 7.764 ( 2.692 1.554 0.843) 3.220 9.171 ( 15.406 8.895 -0.760) 17.805 15.239 ( 11.464 6.619 0.181) 13.239 16.698 ( 21.401 12.356 -0.926) 24.729 16.803 ( 29.726 17.162 -0.684) 34.331 17.981 ( 1.369 0.791 -0.163) 1.590 19.682 ( -21.191 -12.235 -3.576) 24.729 21.518 ( -20.510 -11.842 0.412) 23.687 ======================= Grid point 297 (89/417) ======================= q-point: ( 0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.423 ( -0.000 24.327 5.377) 24.914 0.734 ( -0.000 36.099 0.169) 36.099 1.222 ( -0.000 59.338 0.555) 59.341 3.707 ( 0.000 5.260 -0.231) 5.265 3.840 ( -0.000 16.525 0.785) 16.544 4.861 ( -0.000 0.162 0.168) 0.234 5.307 ( 0.000 -5.647 -3.270) 6.526 5.426 ( -0.000 1.530 -0.009) 1.530 5.620 ( 0.000 21.651 -4.539) 22.121 5.768 ( 0.000 19.514 -9.960) 21.909 7.894 ( -0.000 -6.486 11.211) 12.952 9.450 ( 0.000 -11.051 -3.204) 11.506 15.447 ( 0.000 -7.045 0.102) 7.046 17.068 ( 0.000 -15.585 -16.882) 22.976 17.522 ( -0.000 -34.783 2.968) 34.910 18.005 ( 0.000 -0.909 -0.088) 0.913 18.968 ( 0.000 49.934 -22.109) 54.609 20.656 ( 0.000 53.127 -51.117) 73.725 ======================= Grid point 298 (90/417) ======================= q-point: ( 0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 17.360 28.520 3.153) 33.536 1.364 ( 20.067 33.602 0.707) 39.144 2.036 ( 27.299 46.906 -0.135) 54.272 3.819 ( 4.260 7.852 -0.543) 8.950 4.098 ( 8.933 17.561 1.446) 19.756 4.874 ( 0.716 0.824 0.341) 1.144 5.208 ( -2.481 -3.656 -1.983) 4.844 5.495 ( 2.259 4.432 -0.233) 4.980 5.929 ( 9.874 21.838 -8.699) 25.496 6.087 ( 14.373 17.046 1.073) 22.322 7.842 ( -1.799 -4.464 8.706) 9.948 9.240 ( -8.000 -14.031 -3.553) 16.538 15.317 ( -5.470 -9.146 0.040) 10.657 16.754 ( -11.080 -18.438 -10.121) 23.773 17.007 ( -17.320 -31.360 2.009) 35.881 17.971 ( -0.895 -1.876 -0.050) 2.079 19.594 ( 19.930 23.866 2.824) 31.221 21.157 ( 13.611 34.980 -29.505) 47.743 ======================= Grid point 299 (91/417) ======================= q-point: ( 0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 26.674 26.539 1.825) 37.671 2.029 ( 16.933 33.989 0.787) 37.981 2.999 ( 35.675 31.925 -0.262) 47.874 3.994 ( 5.858 9.353 -0.702) 11.058 4.459 ( 12.878 13.203 2.292) 18.585 4.902 ( 0.348 2.853 0.500) 2.917 5.161 ( 0.363 -1.101 -1.517) 1.910 5.578 ( -0.014 8.507 -0.200) 8.509 6.316 ( 14.670 16.266 -8.062) 23.341 6.561 ( 18.505 14.972 2.090) 23.895 7.799 ( -0.292 -2.027 7.809) 8.073 8.906 ( -12.171 -14.569 -2.787) 19.187 15.077 ( -11.268 -9.341 -0.003) 14.637 16.313 ( -16.318 -19.337 -4.063) 25.627 16.379 ( -20.473 -25.270 -0.311) 32.524 17.941 ( -0.198 -2.480 0.015) 2.488 20.052 ( 10.459 13.284 5.290) 17.715 21.611 ( 12.760 15.111 -13.666) 24.040 ======================= Grid point 300 (92/417) ======================= q-point: ( 0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 28.267 24.362 1.070) 37.332 2.634 ( 14.250 31.862 0.746) 34.911 3.859 ( 32.027 19.923 -0.459) 37.721 4.197 ( 6.583 9.209 -0.764) 11.346 4.776 ( 10.439 5.360 2.217) 11.943 4.956 ( 0.848 7.489 0.765) 7.575 5.195 ( 3.547 1.630 -0.738) 3.973 5.666 ( -1.057 10.903 -0.145) 10.955 6.741 ( 18.065 14.569 -5.916) 23.950 6.921 ( 8.775 3.968 0.706) 9.656 7.882 ( 7.754 3.877 5.297) 10.160 8.550 ( -10.649 -12.460 -0.851) 16.412 14.746 ( -15.662 -9.135 0.006) 18.131 15.726 ( -23.126 -21.661 -0.090) 31.687 15.872 ( -15.828 -17.834 -2.155) 23.942 17.914 ( -0.513 -1.489 -0.017) 1.575 20.269 ( 2.866 6.132 2.618) 7.258 21.805 ( 3.664 -0.966 -4.998) 6.272 ======================= Grid point 301 (93/417) ======================= q-point: ( 0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.964 ( 27.117 21.582 0.610) 34.662 3.163 ( 11.279 28.667 0.669) 30.813 4.378 ( 7.042 6.957 -0.771) 9.929 4.502 ( 21.490 11.106 -0.570) 24.196 4.898 ( 1.300 2.392 0.885) 2.863 5.112 ( 5.775 7.695 0.380) 9.628 5.314 ( 6.578 3.980 1.055) 7.761 5.760 ( -1.301 11.745 -0.131) 11.817 6.949 ( -2.827 -4.099 1.262) 5.137 7.179 ( 15.352 9.720 -4.772) 18.786 7.989 ( -1.954 -1.233 0.651) 2.400 8.483 ( 14.095 1.182 2.357) 14.340 14.365 ( -16.957 -9.345 0.029) 19.361 15.119 ( -23.950 -16.985 -0.286) 29.363 15.432 ( -14.630 -15.784 -0.814) 21.537 17.895 ( -1.261 0.712 -0.069) 1.450 20.309 ( -1.533 0.094 0.866) 1.763 21.724 ( -4.215 -10.663 -1.493) 11.563 ======================= Grid point 302 (94/417) ======================= q-point: ( 0.44 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.593 ( 12.993 20.624 0.406) 24.379 3.620 ( 18.728 22.334 0.427) 29.150 4.531 ( 3.980 5.701 -0.718) 6.990 4.822 ( 5.327 0.604 0.121) 5.362 4.992 ( 6.827 8.705 0.284) 11.066 5.273 ( 5.725 4.827 -0.961) 7.550 5.480 ( 6.833 3.630 1.994) 7.990 5.852 ( -1.364 11.147 -0.127) 11.231 6.807 ( -6.616 -6.146 1.348) 9.130 7.234 ( -10.051 -5.868 -3.039) 12.029 8.140 ( 17.348 8.894 -0.099) 19.496 8.847 ( 19.656 3.188 1.577) 19.975 13.992 ( -14.452 -9.034 0.037) 17.044 14.560 ( -22.472 -13.218 -0.257) 26.072 15.056 ( -12.606 -11.035 -0.249) 16.755 17.885 ( -2.322 3.659 -0.096) 4.335 20.246 ( -2.617 -4.493 0.192) 5.203 21.484 ( -7.226 -14.569 -0.359) 16.267 ======================= Grid point 303 (95/417) ======================= q-point: ( 0.50 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.928 ( 3.318 20.876 0.326) 21.141 4.140 ( 17.749 12.670 0.078) 21.807 4.630 ( 1.738 4.247 -0.614) 4.630 4.829 ( -2.441 1.138 0.393) 2.722 5.207 ( 6.585 6.178 0.528) 9.044 5.412 ( 5.836 3.759 -1.273) 7.058 5.619 ( 5.098 2.225 1.589) 5.785 5.929 ( -1.906 9.580 -0.105) 9.768 6.629 ( -6.576 -5.840 1.038) 8.855 6.907 ( -15.724 -7.066 -1.650) 17.317 8.573 ( 19.125 7.491 -0.529) 20.547 9.168 ( 14.473 -0.475 1.027) 14.517 13.707 ( -8.938 -6.057 0.027) 10.797 14.091 ( -16.599 -11.130 -0.148) 19.985 14.782 ( -9.690 -4.398 -0.063) 10.641 17.886 ( -3.581 6.547 -0.081) 7.463 20.153 ( -0.761 -7.210 0.089) 7.250 21.223 ( -5.120 -14.028 -0.129) 14.934 ======================= Grid point 304 (96/417) ======================= q-point: ( 0.56 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.119 ( -4.044 17.174 0.042) 17.644 4.449 ( 7.373 3.349 -0.024) 8.098 4.677 ( -0.329 3.123 -0.461) 3.174 4.800 ( -2.638 2.550 0.376) 3.688 5.323 ( 1.505 2.669 0.588) 3.120 5.540 ( 4.003 2.908 -0.630) 4.987 5.698 ( 1.753 0.418 0.766) 1.958 5.973 ( -3.187 7.782 -0.078) 8.410 6.493 ( -2.897 -3.472 0.622) 4.564 6.626 ( -8.864 -1.250 -1.064) 9.015 8.874 ( 9.438 0.523 -0.438) 9.463 9.331 ( 7.048 -4.710 0.739) 8.509 13.574 ( -3.310 0.585 0.015) 3.361 13.791 ( -4.541 -9.535 -0.043) 10.561 14.637 ( -5.222 1.710 -0.034) 5.495 17.889 ( -4.629 8.301 -0.039) 9.505 20.091 ( 2.581 -7.749 0.214) 8.171 21.056 ( 0.947 -10.587 -0.201) 10.631 ======================= Grid point 305 (97/417) ======================= q-point: (-0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.115 ( -13.087 11.925 -0.257) 17.708 4.449 ( -6.558 -4.684 0.027) 8.059 4.680 ( -2.287 2.143 -0.147) 3.137 4.798 ( -1.017 3.354 0.229) 3.512 5.320 ( -3.549 -0.062 0.305) 3.562 5.546 ( -3.706 -1.760 -0.162) 4.106 5.691 ( -2.011 -1.739 0.165) 2.664 5.974 ( -5.105 6.761 0.008) 8.472 6.488 ( 3.968 0.509 0.090) 4.001 6.634 ( 6.270 7.413 -0.353) 9.716 8.878 ( -4.799 -7.734 -0.080) 9.102 9.326 ( 0.056 -8.721 0.315) 8.727 13.574 ( 1.116 3.204 0.005) 3.393 13.792 ( 10.633 -0.831 0.049) 10.665 14.637 ( 1.122 5.367 -0.059) 5.483 17.890 ( -4.833 8.171 -0.003) 9.493 20.093 ( 5.480 -6.058 0.352) 8.177 21.055 ( 8.664 -6.140 -0.301) 10.623 ======================= Grid point 306 (98/417) ======================= q-point: (-0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.920 ( -19.900 7.505 -0.416) 21.273 4.140 ( -20.001 -9.102 0.034) 21.975 4.637 ( -4.440 0.849 0.069) 4.521 4.826 ( 0.193 2.506 0.060) 2.514 5.197 ( -8.880 -2.619 -0.432) 9.268 5.437 ( -5.217 -2.924 0.940) 6.054 5.594 ( -5.380 -3.709 -0.578) 6.560 5.931 ( -7.371 6.561 0.078) 9.868 6.615 ( 7.946 2.544 -0.201) 8.346 6.928 ( 14.905 10.504 0.336) 18.237 8.581 ( -15.978 -12.874 0.165) 20.520 9.155 ( -7.300 -12.970 -0.126) 14.884 13.707 ( 9.658 4.820 0.029) 10.794 14.093 ( 18.053 8.763 0.090) 20.067 14.782 ( 8.714 6.201 -0.082) 10.695 17.886 ( -3.853 6.359 -0.003) 7.436 20.156 ( 6.540 -2.943 0.355) 7.181 21.221 ( 14.837 -2.542 -0.264) 15.055 ======================= Grid point 307 (99/417) ======================= q-point: (-0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.584 ( -24.534 0.879 -0.425) 24.554 3.614 ( -28.910 -6.925 -0.127) 29.729 4.542 ( -6.829 -0.462 0.194) 6.848 4.819 ( -3.092 -4.182 -0.223) 5.205 4.980 ( -10.902 -1.763 -0.785) 11.071 5.308 ( -7.180 -2.613 2.302) 7.980 5.443 ( -6.754 -4.207 -1.468) 8.091 5.855 ( -8.994 6.825 0.095) 11.290 6.788 ( 8.370 2.533 -0.421) 8.755 7.282 ( 11.943 6.601 1.278) 13.706 8.141 ( -16.929 -11.003 -0.000) 20.190 8.823 ( -13.479 -15.772 -0.610) 20.756 13.993 ( 15.007 8.106 0.072) 17.056 14.563 ( 22.741 12.802 0.059) 26.097 15.058 ( 16.075 5.464 -0.080) 16.979 17.886 ( -2.012 3.812 -0.043) 4.310 20.245 ( 4.823 -0.104 0.146) 4.826 21.488 ( 16.753 -0.839 -0.001) 16.774 ======================= Grid point 308 (100/417) ======================= q-point: (-0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.955 ( -32.562 -12.734 -0.177) 34.963 3.150 ( -30.566 4.654 -0.440) 30.922 4.389 ( -9.540 -2.659 0.235) 9.906 4.498 ( -20.394 -12.685 -0.990) 24.038 4.886 ( -2.630 -0.327 -0.207) 2.658 5.133 ( -11.088 -1.619 2.581) 11.499 5.291 ( -5.311 -3.268 -1.418) 6.395 5.762 ( -9.500 6.991 0.106) 11.796 6.931 ( 5.320 0.603 -0.374) 5.367 7.243 ( -16.137 -8.758 1.026) 18.389 7.995 ( 2.547 1.251 1.321) 3.130 8.436 ( -8.860 -11.712 -1.915) 14.810 14.366 ( 16.564 10.071 0.130) 19.386 15.122 ( 26.614 12.173 -0.086) 29.266 15.440 ( 21.477 4.997 -0.098) 22.051 17.894 ( -0.017 1.433 -0.100) 1.437 20.297 ( -0.247 1.102 -0.274) 1.162 21.746 ( 12.794 -1.274 0.472) 12.866 ======================= Grid point 309 (101/417) ======================= q-point: (-0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( -35.631 -12.292 -0.116) 37.691 2.622 ( -34.825 3.799 -0.325) 35.033 3.854 ( -33.481 -17.239 -0.946) 37.670 4.207 ( -11.170 -1.198 0.114) 11.235 4.765 ( -9.609 -7.032 1.212) 11.969 4.956 ( -7.739 2.750 0.835) 8.255 5.197 ( -2.238 -1.878 -0.683) 3.001 5.669 ( -8.851 6.306 0.119) 10.868 6.802 ( -20.769 -8.292 -0.628) 22.372 6.913 ( -7.678 -5.469 0.026) 9.427 7.836 ( -10.360 -6.266 1.403) 12.188 8.544 ( 17.924 4.406 -1.326) 18.505 14.748 ( 15.758 8.963 0.164) 18.129 15.724 ( 30.234 9.167 -0.254) 31.595 15.891 ( 24.139 5.186 -0.390) 24.693 17.913 ( 1.508 -0.265 -0.131) 1.537 20.233 ( -8.553 0.537 -0.687) 8.597 21.867 ( 2.458 -3.307 0.627) 4.168 ======================= Grid point 310 (102/417) ======================= q-point: (-0.06 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -36.914 -9.575 0.307) 38.136 2.019 ( -38.025 2.730 -0.083) 38.123 2.996 ( -45.545 -14.209 -0.571) 47.713 4.002 ( -11.015 -0.614 -0.036) 11.033 4.452 ( -17.501 -5.757 1.644) 18.496 4.898 ( -2.744 1.246 0.086) 3.015 5.173 ( 1.189 -0.805 -0.546) 1.536 5.582 ( -7.288 4.135 0.080) 8.380 6.392 ( -18.559 -4.294 -2.653) 19.234 6.528 ( -25.244 -8.593 0.317) 26.668 7.735 ( 0.938 -0.404 2.278) 2.497 8.923 ( 19.440 3.788 -1.147) 19.839 15.078 ( 13.742 4.934 0.130) 14.601 16.353 ( 32.914 5.665 -1.011) 33.413 16.368 ( 25.258 4.555 -0.741) 25.677 17.939 ( 2.221 -0.942 -0.105) 2.415 19.993 ( -18.962 -0.374 -0.339) 18.969 21.737 ( -12.778 -5.117 -2.145) 13.931 ======================= Grid point 314 (103/417) ======================= q-point: ( 0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -0.000 35.413 2.083) 35.474 1.445 ( -0.000 34.331 0.214) 34.332 2.375 ( -0.000 54.743 -0.300) 54.744 3.853 ( 0.000 9.098 -0.321) 9.104 4.245 ( -0.000 21.397 2.762) 21.574 4.867 ( -0.000 0.383 0.205) 0.434 5.202 ( 0.000 -3.154 -1.890) 3.677 5.470 ( -0.000 2.713 0.012) 2.713 6.064 ( 0.000 21.691 -11.420) 24.514 6.211 ( -0.000 28.566 3.232) 28.748 7.830 ( -0.000 -4.205 8.466) 9.452 9.140 ( 0.000 -17.508 -3.828) 17.922 15.242 ( 0.000 -13.196 0.164) 13.197 16.624 ( 0.000 -21.631 -8.979) 23.421 16.813 ( -0.000 -35.325 1.358) 35.351 17.979 ( 0.000 -1.619 -0.145) 1.626 19.664 ( -0.000 26.696 1.015) 26.715 21.373 ( 0.000 33.653 -20.783) 39.553 ======================= Grid point 315 (104/417) ======================= q-point: ( 0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 10.353 36.160 1.611) 37.647 2.022 ( 21.710 31.406 0.518) 38.183 2.987 ( 10.566 46.153 -0.750) 47.353 3.998 ( 4.764 9.914 -0.567) 11.014 4.487 ( 3.188 18.674 3.493) 19.263 4.902 ( 2.702 1.931 0.520) 3.362 5.157 ( -1.249 -0.579 -1.743) 2.221 5.582 ( 7.111 4.313 -0.068) 8.317 6.309 ( 5.929 20.704 -8.764) 23.251 6.548 ( 5.387 24.412 1.982) 25.078 7.807 ( -0.805 -1.357 8.124) 8.275 8.892 ( -6.078 -18.323 -3.386) 19.600 15.080 ( -2.693 -14.320 0.129) 14.571 16.306 ( -8.773 -23.219 -5.134) 25.346 16.368 ( -10.723 -30.773 0.035) 32.588 17.938 ( -1.828 -1.490 -0.094) 2.361 20.014 ( 10.582 15.725 3.439) 19.264 21.639 ( 2.158 19.967 -12.159) 23.478 ======================= Grid point 316 (105/417) ======================= q-point: ( 0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 19.077 32.536 1.132) 37.733 2.712 ( 19.104 32.399 0.714) 37.618 3.632 ( 18.535 30.763 -0.933) 35.927 4.192 ( 5.717 10.268 -0.768) 11.777 4.717 ( 5.076 10.190 2.944) 11.758 5.004 ( 3.236 7.238 1.395) 8.050 5.160 ( 1.656 1.553 -1.427) 2.681 5.759 ( 4.951 8.795 -0.122) 10.094 6.640 ( 10.747 19.179 -6.442) 22.909 6.841 ( 6.161 10.396 0.702) 12.105 7.845 ( 2.532 4.969 6.764) 8.767 8.571 ( -8.865 -17.103 -2.120) 19.380 14.850 ( -8.000 -13.547 0.048) 15.733 15.818 ( -14.638 -26.148 -0.211) 29.967 15.910 ( -12.802 -21.951 -2.650) 25.549 17.905 ( -0.419 -0.942 -0.035) 1.031 20.278 ( 5.256 6.822 2.677) 9.018 21.757 ( -0.051 2.722 -5.621) 6.246 ======================= Grid point 317 (106/417) ======================= q-point: ( 0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( 21.703 27.691 0.665) 35.189 3.318 ( 11.583 34.413 0.677) 36.316 4.204 ( 19.302 14.677 -0.799) 24.261 4.399 ( 6.639 11.186 -0.825) 13.034 4.876 ( 4.348 4.658 1.629) 6.577 5.135 ( 1.844 8.310 0.434) 8.524 5.252 ( 5.604 4.321 0.750) 7.116 5.916 ( 0.510 12.873 -0.211) 12.884 6.930 ( 0.684 -2.264 0.781) 2.491 7.028 ( 13.174 14.969 -4.665) 20.479 8.010 ( 2.786 6.768 2.828) 7.847 8.302 ( 0.613 -10.978 0.520) 11.007 14.521 ( -13.529 -14.369 -0.045) 19.736 15.325 ( -18.048 -16.392 -0.232) 24.382 15.464 ( -11.271 -21.816 -1.164) 24.583 17.907 ( 0.635 1.003 -0.035) 1.188 20.348 ( -1.426 0.419 1.127) 1.865 21.667 ( -3.992 -11.153 -1.995) 12.012 ======================= Grid point 318 (107/417) ======================= q-point: ( 0.44 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.408 ( 20.923 21.652 0.318) 30.111 3.812 ( 5.646 34.132 0.538) 34.600 4.509 ( 6.491 6.124 -0.663) 8.948 4.694 ( 12.040 9.134 -0.510) 15.122 4.994 ( 3.584 6.670 0.895) 7.625 5.245 ( 3.163 5.495 -0.880) 6.401 5.410 ( 6.101 4.579 2.110) 7.915 6.032 ( -2.693 14.032 -0.343) 14.292 6.840 ( -4.412 -6.981 1.295) 8.360 7.283 ( 1.226 2.397 -3.656) 4.541 8.015 ( 3.634 4.896 0.504) 6.118 8.509 ( 19.853 -0.141 1.802) 19.935 14.119 ( -14.002 -15.808 -0.094) 21.118 14.822 ( -22.092 -13.878 -0.323) 26.091 15.124 ( -8.261 -11.757 -0.256) 14.371 17.947 ( 0.633 4.663 -0.054) 4.706 20.264 ( -4.969 -5.158 0.255) 7.167 21.417 ( -5.884 -19.060 -0.523) 19.955 ======================= Grid point 319 (108/417) ======================= q-point: ( 0.50 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.926 ( 16.880 14.993 0.125) 22.577 4.204 ( 1.920 30.193 0.298) 30.255 4.642 ( 2.844 5.458 -0.561) 6.180 4.874 ( 1.221 4.715 0.135) 4.873 5.176 ( 6.239 10.188 0.519) 11.958 5.356 ( 4.643 3.989 -1.199) 6.238 5.552 ( 5.470 2.735 1.874) 6.396 6.104 ( -4.130 12.371 -0.430) 13.050 6.674 ( -5.926 -7.428 1.103) 9.566 7.114 ( -14.166 -3.168 -1.706) 14.616 8.313 ( 17.796 7.636 -0.298) 19.367 8.845 ( 19.367 -3.833 1.125) 19.775 13.759 ( -9.002 -14.073 -0.081) 16.706 14.303 ( -20.500 -14.011 -0.132) 24.831 14.919 ( -8.746 -0.339 -0.063) 8.752 18.017 ( -0.944 9.488 -0.062) 9.535 20.100 ( -4.204 -10.083 0.036) 10.925 21.117 ( -4.022 -21.437 -0.132) 21.811 ======================= Grid point 320 (109/417) ======================= q-point: ( 0.56 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.286 ( 9.605 10.779 0.067) 14.438 4.457 ( -2.249 18.375 -0.066) 18.512 4.730 ( 0.352 7.599 -0.395) 7.617 4.892 ( -3.676 4.811 0.284) 6.061 5.334 ( 1.815 5.473 0.431) 5.782 5.502 ( 5.416 7.413 -0.731) 9.210 5.658 ( 3.755 1.125 1.191) 4.097 6.136 ( -4.520 9.202 -0.511) 10.264 6.513 ( -4.423 -5.927 0.903) 7.450 6.838 ( -14.849 2.527 -0.979) 15.094 8.659 ( 15.062 0.918 -0.458) 15.097 9.081 ( 13.991 -8.362 0.863) 16.322 13.556 ( -0.245 -9.034 -0.047) 9.038 13.859 ( -14.348 -12.182 -0.001) 18.822 14.805 ( -8.571 7.427 -0.046) 11.341 18.091 ( -4.374 13.699 -0.061) 14.381 19.945 ( 0.701 -13.281 0.164) 13.300 20.880 ( 1.381 -19.661 -0.173) 19.711 ======================= Grid point 321 (110/417) ======================= q-point: (-0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.471 ( -2.502 -0.508 -0.055) 2.554 4.477 ( -5.705 14.479 -0.222) 15.564 4.792 ( -5.333 10.094 -0.251) 11.419 4.870 ( -2.646 3.915 0.297) 4.735 5.374 ( -1.114 2.078 0.404) 2.393 5.608 ( -2.893 5.086 -0.246) 5.856 5.694 ( 0.042 -1.073 0.517) 1.191 6.140 ( -4.042 7.570 -0.494) 8.596 6.436 ( 0.938 -2.459 0.646) 2.710 6.711 ( -5.849 10.930 -0.604) 12.411 8.804 ( 4.474 -7.247 -0.332) 8.523 9.159 ( 6.846 -12.538 0.639) 14.299 13.572 ( 6.023 -9.771 0.004) 11.478 13.603 ( -0.143 -0.299 0.050) 0.335 14.767 ( -6.520 11.259 -0.072) 13.010 18.124 ( -8.276 14.357 -0.058) 16.572 19.882 ( 7.262 -12.395 0.365) 14.370 20.789 ( 8.939 -15.592 -0.307) 17.976 ======================= Grid point 322 (111/417) ======================= q-point: (-0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.283 ( -14.302 -2.565 -0.164) 14.531 4.454 ( -14.939 10.704 -0.237) 18.380 4.741 ( -6.454 3.590 0.208) 7.389 4.886 ( -2.440 5.534 -0.072) 6.048 5.334 ( -6.616 1.621 0.441) 6.826 5.510 ( -7.620 -1.203 -0.385) 7.724 5.640 ( -3.823 -3.173 0.192) 4.972 6.142 ( -5.717 8.950 -0.139) 10.621 6.500 ( 6.790 0.582 0.185) 6.817 6.852 ( 6.208 14.240 -0.123) 15.535 8.665 ( -8.056 -12.612 -0.077) 14.966 9.071 ( -0.295 -16.477 0.285) 16.482 13.558 ( 7.936 -4.221 0.083) 8.989 13.860 ( 17.840 6.316 0.024) 18.925 14.804 ( -2.147 11.122 -0.095) 11.328 18.091 ( -9.631 10.598 -0.049) 14.321 19.950 ( 11.173 -7.130 0.435) 13.261 20.877 ( 16.349 -11.074 -0.346) 19.750 ======================= Grid point 323 (112/417) ======================= q-point: (-0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.923 ( -21.538 -7.025 -0.071) 22.655 4.194 ( -27.319 13.301 -0.279) 30.386 4.656 ( -6.074 0.366 0.252) 6.090 4.868 ( -4.587 1.464 -0.235) 4.821 5.162 ( -12.436 -0.366 -0.312) 12.445 5.389 ( -4.531 -2.155 0.637) 5.057 5.515 ( -6.236 -3.546 -0.181) 7.176 6.111 ( -8.834 10.100 -0.012) 13.418 6.653 ( 8.959 1.261 -0.113) 9.048 7.150 ( 11.482 11.023 0.423) 15.922 8.318 ( -15.713 -11.994 -0.037) 19.767 8.826 ( -7.088 -18.842 -0.013) 20.131 13.762 ( 16.661 0.839 0.080) 16.682 14.305 ( 22.515 10.767 0.018) 24.957 14.918 ( 4.768 7.387 -0.096) 8.793 18.017 ( -7.712 5.516 -0.048) 9.482 20.104 ( 10.590 -1.393 0.304) 10.686 21.115 ( 20.877 -7.190 -0.217) 22.082 ======================= Grid point 324 (113/417) ======================= q-point: (-0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.402 ( -29.488 -7.286 -0.011) 30.375 3.799 ( -32.530 12.294 -0.210) 34.776 4.524 ( -8.530 -2.678 0.160) 8.942 4.694 ( -13.733 -5.360 -0.583) 14.754 4.974 ( -7.725 0.154 -0.240) 7.730 5.289 ( -6.366 -0.203 1.972) 6.667 5.360 ( -7.188 -3.193 -1.109) 7.943 6.037 ( -10.991 9.511 -0.028) 14.534 6.816 ( 8.141 0.476 -0.127) 8.156 7.353 ( -0.969 -0.026 0.515) 1.097 8.010 ( -5.803 -0.651 0.191) 5.843 8.472 ( -11.343 -17.558 -0.390) 20.907 14.122 ( 20.649 4.265 0.070) 21.085 14.826 ( 23.053 12.306 -0.073) 26.132 15.127 ( 14.744 1.239 -0.095) 14.797 17.946 ( -4.356 1.769 -0.058) 4.702 20.261 ( 6.314 1.627 0.075) 6.521 21.425 ( 20.318 -4.321 -0.018) 20.772 ======================= Grid point 325 (114/417) ======================= q-point: (-0.12 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( -35.197 -4.842 0.133) 35.529 3.306 ( -35.678 7.432 -0.008) 36.444 4.211 ( -22.595 -8.942 -0.502) 24.306 4.409 ( -12.731 0.004 -0.263) 12.734 4.855 ( -6.518 -1.614 0.455) 6.730 5.149 ( -10.543 0.952 1.743) 10.729 5.232 ( -3.917 -1.663 -1.068) 4.387 5.919 ( -11.489 6.000 -0.037) 12.961 6.917 ( 2.623 -1.145 -0.013) 2.862 7.092 ( -19.435 -4.727 -0.857) 20.020 7.993 ( -11.709 -2.182 2.125) 12.099 8.273 ( 12.769 -2.691 -1.348) 13.119 14.523 ( 19.156 4.454 0.060) 19.667 15.326 ( 23.067 7.368 -0.185) 24.216 15.478 ( 25.387 -0.841 -0.291) 25.403 17.906 ( -1.204 0.006 -0.055) 1.205 20.331 ( -0.783 1.663 0.082) 1.840 21.696 ( 13.565 -2.402 -0.225) 13.777 ======================= Grid point 326 (115/417) ======================= q-point: (-0.06 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -38.075 0.108 0.545) 38.079 2.705 ( -37.648 0.144 0.298) 37.649 3.642 ( -35.997 0.284 -0.434) 36.001 4.199 ( -11.765 -0.074 -0.322) 11.770 4.689 ( -12.041 -0.317 1.242) 12.109 4.991 ( -7.338 -0.259 0.495) 7.360 5.173 ( -1.851 0.214 -0.589) 1.954 5.760 ( -10.107 -0.048 -0.060) 10.107 6.705 ( -20.590 -0.137 -2.898) 20.793 6.834 ( -12.432 0.067 0.350) 12.437 7.778 ( -7.116 -0.089 2.971) 7.712 8.591 ( 20.078 0.339 -0.800) 20.096 14.850 ( 15.702 -0.064 0.020) 15.702 15.820 ( 30.129 0.124 -0.101) 30.129 15.936 ( 26.327 -0.006 -1.087) 26.349 17.905 ( 1.025 0.045 -0.014) 1.026 20.253 ( -9.663 0.450 1.049) 9.731 21.811 ( 0.880 -0.559 -2.284) 2.511 ======================= Grid point 331 (116/417) ======================= q-point: ( 0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -0.000 37.706 1.083) 37.722 2.108 ( -0.000 31.369 0.387) 31.371 3.390 ( 0.000 45.759 -0.902) 45.768 4.054 ( 0.000 10.654 -0.492) 10.665 4.680 ( -0.000 19.596 4.495) 20.105 4.877 ( -0.000 0.415 0.316) 0.522 5.168 ( 0.000 0.508 -1.806) 1.876 5.534 ( -0.000 3.640 -0.010) 3.640 6.466 ( 0.000 23.420 -7.814) 24.689 6.766 ( -0.000 21.550 1.048) 21.576 7.843 ( -0.000 3.957 7.973) 8.900 8.744 ( 0.000 -19.587 -3.231) 19.851 14.930 ( 0.000 -17.563 0.185) 17.564 16.110 ( 0.000 -31.278 -1.546) 31.317 16.165 ( 0.000 -24.710 -2.645) 24.851 17.941 ( 0.000 -2.031 -0.168) 2.037 20.076 ( -0.000 13.915 2.498) 14.137 21.789 ( 0.000 13.567 -8.011) 15.756 ======================= Grid point 332 (117/417) ======================= q-point: ( 0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 7.333 36.652 0.912) 37.389 2.624 ( 20.954 28.148 0.500) 35.095 3.831 ( 2.136 37.347 -1.023) 37.422 4.201 ( 4.333 10.236 -0.664) 11.135 4.808 ( -2.151 9.122 2.531) 9.708 4.990 ( 6.668 8.473 2.549) 11.079 5.170 ( -0.490 2.635 -1.797) 3.227 5.670 ( 9.769 4.502 -0.058) 10.756 6.723 ( 3.490 23.676 -6.267) 24.739 6.921 ( -0.851 9.749 0.665) 9.809 7.927 ( -0.666 10.792 6.635) 12.686 8.506 ( -4.567 -17.533 -2.317) 18.265 14.751 ( -0.228 -18.124 0.133) 18.125 15.717 ( -7.106 -30.655 -0.462) 31.471 15.862 ( -7.209 -22.298 -2.274) 23.545 17.910 ( -0.875 -1.195 -0.118) 1.486 20.247 ( 5.138 6.427 1.981) 8.464 21.825 ( -4.119 2.435 -4.390) 6.494 ======================= Grid point 333 (118/417) ======================= q-point: ( 0.38 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( 13.370 32.576 0.627) 35.219 3.313 ( 24.539 26.992 0.624) 36.485 4.195 ( 3.911 24.402 -0.842) 24.727 4.396 ( 6.275 10.798 -0.827) 12.516 4.878 ( 1.829 5.443 1.526) 5.942 5.193 ( 1.733 8.688 1.251) 8.947 5.210 ( 4.386 4.918 0.208) 6.593 5.916 ( 10.761 6.850 -0.224) 12.758 6.922 ( -1.349 -0.217 0.346) 1.410 7.034 ( 5.098 19.347 -4.232) 20.450 8.062 ( 3.040 9.145 3.946) 10.414 8.251 ( -7.891 -8.724 -0.624) 11.780 14.523 ( -5.889 -18.854 -0.018) 19.752 15.320 ( -4.957 -23.800 -0.334) 24.313 15.462 ( -13.115 -20.607 -1.137) 24.453 17.905 ( 0.691 1.016 -0.054) 1.230 20.343 ( 1.772 -0.931 1.064) 2.267 21.672 ( -8.589 -8.965 -1.919) 12.563 ======================= Grid point 334 (119/417) ======================= q-point: ( 0.44 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.332 ( 15.193 26.194 0.320) 30.283 3.973 ( 17.254 29.295 0.617) 34.004 4.447 ( 5.578 10.124 -0.612) 11.575 4.638 ( 7.781 12.658 -0.746) 14.876 4.993 ( 4.275 6.767 1.139) 8.085 5.258 ( 1.239 4.557 -1.352) 4.912 5.378 ( 4.511 6.661 2.567) 8.445 6.142 ( 5.206 9.005 -0.536) 10.415 6.837 ( -3.425 -6.723 1.169) 7.636 7.274 ( 4.163 9.236 -3.679) 10.778 8.078 ( -2.042 -1.243 0.379) 2.421 8.259 ( 6.675 8.390 2.222) 10.949 14.161 ( -11.829 -20.326 -0.149) 23.518 14.970 ( -13.976 -24.341 -0.596) 28.075 15.121 ( -3.886 -6.777 -0.021) 7.812 17.960 ( 2.612 4.427 -0.022) 5.140 20.290 ( -3.655 -6.327 0.269) 7.312 21.360 ( -10.486 -17.998 -0.591) 20.839 ======================= Grid point 335 (120/417) ======================= q-point: ( 0.50 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.819 ( 14.272 18.919 0.123) 23.699 4.455 ( 4.242 26.597 0.332) 26.935 4.615 ( 6.371 4.953 -0.351) 8.077 4.882 ( 5.888 9.799 -0.365) 11.438 5.189 ( 6.885 13.562 0.767) 15.229 5.327 ( 2.719 3.444 -1.196) 4.548 5.508 ( 3.735 4.079 1.989) 5.878 6.261 ( -0.941 7.720 -0.811) 7.820 6.690 ( -4.766 -8.171 1.003) 9.513 7.298 ( -6.217 2.145 -1.714) 6.797 8.174 ( 6.852 9.556 0.140) 11.760 8.487 ( 15.005 -2.534 1.161) 15.262 13.761 ( -10.416 -18.296 -0.145) 21.054 14.457 ( -17.136 -21.766 -0.197) 27.703 15.052 ( -3.299 3.225 -0.002) 4.614 18.085 ( 3.743 9.138 -0.008) 9.875 20.106 ( -7.349 -10.341 -0.100) 12.687 20.979 ( -8.098 -23.618 -0.071) 24.968 ======================= Grid point 336 (121/417) ======================= q-point: ( 0.56 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.199 ( 11.254 12.105 0.040) 16.528 4.633 ( -0.940 7.699 -0.334) 7.764 4.802 ( 3.492 12.098 0.303) 12.596 5.014 ( -0.971 8.898 -0.119) 8.951 5.361 ( 1.324 3.813 -0.339) 4.050 5.534 ( 6.159 20.012 -0.277) 20.940 5.606 ( 4.099 2.305 1.508) 4.938 6.274 ( -3.387 3.788 -0.907) 5.162 6.528 ( -4.637 -7.321 0.775) 8.700 7.165 ( -14.024 9.575 -0.487) 16.988 8.420 ( 12.184 2.692 -0.298) 12.482 8.710 ( 16.729 -9.751 0.821) 19.381 13.469 ( -3.848 -13.572 -0.093) 14.108 13.967 ( -14.934 -18.582 -0.005) 23.839 15.046 ( -6.254 11.381 -0.024) 12.986 18.263 ( 2.205 14.862 -0.017) 15.024 19.852 ( -6.644 -14.017 -0.035) 15.512 20.642 ( -1.444 -25.310 -0.052) 25.351 ======================= Grid point 337 (122/417) ======================= q-point: ( 0.62 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.442 ( 5.517 5.732 0.029) 7.956 4.641 ( -2.999 2.593 -0.360) 3.981 4.936 ( 0.186 7.218 0.281) 7.226 5.046 ( -5.719 10.211 -0.031) 11.704 5.399 ( 0.169 1.786 -0.253) 1.811 5.662 ( 2.249 -0.154 0.527) 2.315 5.804 ( -3.530 21.656 0.285) 21.944 6.241 ( -2.590 2.021 -0.979) 3.428 6.409 ( -1.636 -4.531 0.728) 4.872 7.043 ( -14.236 17.287 -0.176) 22.395 8.598 ( 9.703 -6.748 -0.377) 11.824 8.850 ( 12.584 -14.671 0.701) 19.341 13.369 ( 4.840 -8.695 -0.048) 9.951 13.608 ( -6.706 -12.188 0.084) 13.911 15.053 ( -8.788 15.726 -0.058) 18.015 18.421 ( -4.979 18.729 -0.087) 19.380 19.644 ( 1.801 -15.846 0.282) 15.950 20.446 ( 7.399 -23.055 -0.238) 24.214 ======================= Grid point 338 (123/417) ======================= q-point: (-0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.441 ( -7.794 -1.907 -0.028) 8.024 4.643 ( -0.687 4.068 -0.290) 4.136 4.934 ( -6.246 3.059 0.216) 6.958 5.046 ( -6.173 10.241 -0.036) 11.958 5.405 ( -1.022 0.987 -0.021) 1.421 5.658 ( -1.305 -2.597 0.384) 2.932 5.796 ( -17.850 13.889 -0.083) 22.617 6.251 ( 0.266 3.917 -0.669) 3.983 6.402 ( 4.035 -1.199 0.541) 4.244 7.046 ( -7.415 20.963 -0.059) 22.236 8.601 ( 1.317 -11.836 -0.306) 11.913 8.845 ( 5.856 -18.351 0.548) 19.270 13.371 ( 5.228 -8.489 0.039) 9.970 13.607 ( 13.903 -0.303 0.047) 13.906 15.053 ( -9.258 15.469 -0.078) 18.028 18.420 ( -13.726 13.575 -0.125) 19.305 19.648 ( 13.035 -9.199 0.471) 15.961 20.443 ( 16.140 -18.075 -0.349) 24.235 ======================= Grid point 339 (124/417) ======================= q-point: (-0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.198 ( -16.165 -3.651 -0.025) 16.572 4.632 ( -6.970 5.199 -0.389) 8.704 4.805 ( -11.155 2.184 0.418) 11.375 5.012 ( -7.442 5.680 -0.231) 9.365 5.380 ( -3.992 1.483 0.410) 4.278 5.524 ( -20.019 3.196 -0.761) 20.287 5.582 ( -4.973 -1.838 0.589) 5.334 6.292 ( -1.607 5.361 -0.287) 5.604 6.510 ( 8.110 0.234 0.211) 8.116 7.180 ( -0.081 16.809 0.097) 16.809 8.423 ( -8.312 -9.620 -0.224) 12.716 8.698 ( -0.571 -19.335 0.359) 19.347 13.472 ( 13.717 -3.457 0.042) 14.147 13.967 ( 23.690 3.651 0.019) 23.970 15.045 ( -6.744 11.130 -0.068) 13.014 18.261 ( -13.896 5.465 -0.065) 14.932 19.861 ( 15.346 -1.134 0.327) 15.391 20.636 ( 22.755 -11.456 -0.263) 25.478 ======================= Grid point 340 (125/417) ======================= q-point: (-0.19 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.816 ( -23.680 -2.870 0.025) 23.854 4.442 ( -25.139 9.566 -0.182) 26.898 4.630 ( -7.445 -3.218 0.231) 8.114 4.884 ( -11.170 0.477 -0.322) 11.185 5.173 ( -15.993 0.856 0.106) 16.017 5.356 ( -2.906 -1.091 -0.313) 3.120 5.468 ( -6.742 -1.133 0.682) 6.871 6.277 ( -6.607 4.980 -0.241) 8.277 6.667 ( 9.121 0.225 0.206) 9.126 7.339 ( 3.468 6.050 -0.107) 6.974 8.170 ( -12.080 -1.417 -0.074) 12.164 8.464 ( -6.286 -14.277 0.284) 15.602 13.764 ( 21.075 -0.166 -0.004) 21.075 14.461 ( 27.655 3.996 -0.048) 27.942 15.052 ( -1.113 4.502 -0.036) 4.638 18.084 ( -9.743 1.335 -0.025) 9.834 20.110 ( 12.268 1.064 0.087) 12.314 20.978 ( 24.917 -4.690 -0.096) 25.355 ======================= Grid point 341 (126/417) ======================= q-point: (-0.12 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.327 ( -30.533 0.022 0.156) 30.534 3.963 ( -34.093 0.109 0.233) 34.094 4.457 ( -11.374 -0.083 -0.276) 11.377 4.650 ( -14.624 0.166 -0.324) 14.629 4.975 ( -8.344 0.117 0.466) 8.358 5.288 ( -4.347 -1.123 -1.410) 4.706 5.330 ( -8.532 0.878 1.855) 8.775 6.150 ( -10.727 -0.003 -0.217) 10.729 6.819 ( 7.632 0.139 0.491) 7.649 7.332 ( -8.856 -0.388 -1.467) 8.985 8.073 ( 2.840 -0.563 0.099) 2.897 8.223 ( -12.114 0.748 0.969) 12.176 14.163 ( 23.469 -0.031 -0.057) 23.469 14.979 ( 28.540 0.024 -0.228) 28.541 15.121 ( 7.877 0.010 -0.008) 7.877 17.961 ( -5.122 0.019 -0.008) 5.122 20.286 ( 6.784 -0.001 0.101) 6.785 21.369 ( 21.587 -0.032 -0.225) 21.588 ======================= Grid point 342 (127/417) ======================= q-point: (-0.06 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( -35.107 4.927 0.460) 35.454 3.310 ( -35.647 -7.227 0.483) 36.375 4.212 ( -22.345 9.188 -0.319) 24.163 4.408 ( -12.931 0.095 -0.404) 12.938 4.858 ( -6.651 1.623 0.898) 6.904 5.135 ( -9.581 -2.101 -0.435) 9.819 5.243 ( -4.838 2.347 0.693) 5.422 5.919 ( -11.496 -6.031 -0.138) 12.983 6.921 ( 2.519 1.386 0.579) 2.933 7.079 ( -19.410 4.267 -2.771) 20.065 7.985 ( -10.326 0.811 0.802) 10.389 8.290 ( 11.526 4.266 1.183) 12.347 14.522 ( 19.149 -4.524 -0.074) 19.676 15.327 ( 23.118 -7.331 -0.034) 24.253 15.476 ( 25.271 0.921 -0.619) 25.295 17.907 ( -1.190 0.042 0.014) 1.191 20.335 ( -0.461 -1.477 0.716) 1.705 21.689 ( 13.103 2.127 -1.230) 13.331 ======================= Grid point 348 (128/417) ======================= q-point: ( 0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( -0.000 36.385 0.646) 36.391 2.702 ( -0.000 27.422 0.538) 27.427 4.181 ( 0.000 33.097 -0.985) 33.111 4.261 ( 0.000 9.812 -0.675) 9.835 4.884 ( -0.000 -0.029 0.457) 0.458 5.050 ( -0.000 14.832 4.330) 15.452 5.206 ( 0.000 4.173 -1.557) 4.454 5.615 ( -0.000 4.485 -0.048) 4.485 6.925 ( 0.000 19.770 -4.611) 20.301 7.003 ( -0.000 6.969 -0.002) 6.969 8.059 ( -0.000 6.919 4.258) 8.124 8.407 ( 0.000 -5.400 -0.682) 5.443 14.554 ( 0.000 -19.456 0.170) 19.457 15.459 ( 0.000 -31.803 -0.403) 31.805 15.697 ( 0.000 -21.955 -1.648) 22.016 17.899 ( 0.000 -2.076 -0.161) 2.082 20.264 ( -0.000 4.515 1.395) 4.726 21.862 ( 0.000 -3.004 -2.752) 4.074 ======================= Grid point 349 (129/417) ======================= q-point: ( 0.38 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( 5.303 34.348 0.524) 34.759 3.152 ( 19.454 24.088 0.543) 30.968 4.381 ( 2.425 9.687 -0.720) 10.012 4.467 ( -0.274 24.223 -0.743) 24.236 4.896 ( 1.412 1.799 0.767) 2.412 5.210 ( 2.426 7.385 0.636) 7.799 5.264 ( 0.587 9.101 1.334) 9.217 5.762 ( 10.606 4.693 -0.109) 11.598 6.941 ( -2.063 -4.076 0.926) 4.662 7.184 ( 0.551 19.368 -4.490) 19.890 8.035 ( -0.326 -7.364 0.880) 7.424 8.438 ( -5.455 16.937 2.098) 17.917 14.369 ( 0.295 -19.433 0.087) 19.436 15.114 ( -2.771 -28.963 -0.367) 29.097 15.423 ( -6.133 -20.340 -0.900) 21.264 17.891 ( 1.342 -0.684 -0.117) 1.511 20.306 ( 1.067 -0.615 0.814) 1.476 21.730 ( -7.473 -9.502 -1.409) 12.170 ======================= Grid point 350 (130/417) ======================= q-point: ( 0.44 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.407 ( 8.384 28.924 0.288) 30.116 3.805 ( 27.035 21.837 0.532) 34.757 4.515 ( 2.096 8.844 -0.650) 9.112 4.677 ( 2.390 15.335 -0.415) 15.525 4.986 ( 4.369 5.922 0.887) 7.413 5.282 ( 0.729 4.467 -1.613) 4.805 5.400 ( 2.346 8.551 2.815) 9.303 6.031 ( 13.331 4.649 -0.360) 14.123 6.834 ( -3.566 -7.188 1.187) 8.111 7.301 ( 0.662 2.796 -3.626) 4.626 8.021 ( 2.282 3.882 0.506) 4.531 8.497 ( -9.400 18.482 1.856) 20.818 14.122 ( -6.818 -20.036 -0.094) 21.164 14.819 ( -0.952 -25.884 -0.329) 25.904 15.121 ( -5.883 -13.060 -0.250) 14.326 17.945 ( 3.804 2.883 -0.054) 4.774 20.266 ( -1.956 -6.506 0.257) 6.799 21.416 ( -13.724 -14.951 -0.524) 20.301 ======================= Grid point 351 (131/417) ======================= q-point: ( 0.50 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.819 ( 9.303 21.788 0.120) 23.691 4.446 ( 20.669 16.164 0.397) 26.242 4.627 ( 1.283 8.872 -0.440) 8.975 4.874 ( 6.057 9.855 -0.253) 11.570 5.188 ( 8.989 13.214 0.796) 16.002 5.329 ( 0.506 3.294 -1.206) 3.544 5.513 ( 1.840 5.544 1.900) 6.143 6.259 ( 7.132 2.975 -0.790) 7.768 6.688 ( -4.343 -8.200 0.998) 9.333 7.307 ( 3.990 -4.115 -1.815) 6.012 8.172 ( 4.889 10.399 0.198) 11.493 8.488 ( -9.368 12.078 1.140) 15.327 13.762 ( -10.740 -18.120 -0.155) 21.064 14.457 ( -10.275 -25.667 -0.194) 27.648 15.051 ( 4.550 -1.306 0.013) 4.734 18.084 ( 6.108 7.768 0.002) 9.881 20.109 ( -5.541 -11.222 -0.144) 12.516 20.976 ( -16.250 -19.072 -0.037) 25.056 ======================= Grid point 352 (132/417) ======================= q-point: ( 0.56 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.160 ( 8.601 14.847 0.041) 17.158 4.670 ( 1.642 2.260 -0.347) 2.815 4.838 ( 5.844 10.776 0.439) 12.266 5.066 ( 4.587 7.587 -0.155) 8.867 5.365 ( 1.040 2.286 -0.747) 2.620 5.583 ( 2.468 4.226 1.608) 5.152 5.605 ( 13.636 23.269 -0.037) 26.970 6.319 ( -0.361 -0.772 -0.951) 1.277 6.531 ( -4.411 -7.669 0.625) 8.869 7.380 ( 2.822 5.507 -0.447) 6.204 8.350 ( 4.582 6.320 -0.016) 7.807 8.440 ( -1.458 -0.994 0.662) 1.885 13.433 ( -7.760 -13.343 -0.120) 15.436 14.003 ( -12.923 -22.348 -0.022) 25.815 15.171 ( 4.237 7.227 0.008) 8.377 18.312 ( 7.783 13.352 0.049) 15.455 19.862 ( -8.146 -13.423 -0.311) 15.704 20.502 ( -12.897 -22.876 0.146) 26.262 ======================= Grid point 353 (133/417) ======================= q-point: ( 0.62 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.411 ( 6.228 8.928 0.027) 10.885 4.685 ( -1.008 0.054 -0.292) 1.050 4.987 ( 2.084 6.501 0.344) 6.836 5.160 ( -0.180 3.983 -0.015) 3.987 5.414 ( 1.161 3.321 -0.455) 3.547 5.623 ( 1.458 -0.245 0.675) 1.625 6.076 ( 5.564 28.238 0.099) 28.781 6.277 ( -1.657 -1.582 -0.772) 2.418 6.400 ( -2.699 -5.016 0.413) 5.711 7.453 ( -8.425 17.105 0.056) 19.068 8.396 ( 3.796 -6.037 -0.173) 7.133 8.487 ( 10.367 -11.076 0.464) 15.178 13.250 ( -0.799 -7.540 -0.075) 7.582 13.600 ( -9.429 -16.986 0.068) 19.428 15.305 ( -1.298 12.741 -0.022) 12.807 18.608 ( 6.338 19.370 0.030) 20.381 19.568 ( -9.463 -13.228 -0.089) 16.264 20.119 ( -1.229 -26.247 -0.005) 26.276 ======================= Grid point 354 (134/417) ======================= q-point: (-0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.528 ( -1.740 2.815 0.045) 3.310 4.660 ( 0.171 0.153 -0.253) 0.342 5.040 ( -2.629 3.951 0.140) 4.748 5.172 ( -0.938 1.963 0.184) 2.184 5.446 ( -1.755 3.415 -0.329) 3.853 5.633 ( 1.104 -2.596 0.335) 2.840 6.249 ( -2.877 3.510 -0.608) 4.579 6.269 ( -5.352 11.347 0.189) 12.547 6.366 ( -3.409 5.519 0.195) 6.489 7.453 ( -12.438 21.497 0.123) 24.836 8.402 ( 6.401 -11.535 -0.335) 13.196 8.522 ( 9.880 -16.985 0.504) 19.656 13.231 ( 2.882 -4.697 -0.045) 5.511 13.400 ( 4.385 -7.834 0.092) 8.978 15.360 ( -7.443 12.878 -0.040) 14.874 18.813 ( -11.076 18.696 -0.201) 21.731 19.370 ( 5.915 -9.206 0.453) 10.952 19.970 ( 13.331 -23.540 -0.279) 27.054 ======================= Grid point 355 (135/417) ======================= q-point: (-0.25 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.410 ( -10.837 -0.904 -0.003) 10.875 4.690 ( 0.588 1.084 -0.170) 1.245 4.979 ( -6.813 1.218 0.152) 6.922 5.163 ( -3.490 2.203 0.061) 4.128 5.423 ( -2.707 0.877 -0.275) 2.859 5.608 ( -1.400 -1.902 0.380) 2.392 6.069 ( -27.243 9.573 -0.116) 28.876 6.297 ( 2.669 0.963 -0.403) 2.866 6.390 ( 5.062 -0.280 0.315) 5.079 7.455 ( -10.241 15.709 0.093) 18.752 8.386 ( 3.681 -7.457 -0.367) 8.324 8.490 ( 3.690 -13.609 0.492) 14.109 13.252 ( 6.981 -3.092 -0.007) 7.635 13.598 ( 19.488 -0.355 0.035) 19.491 15.304 ( -10.409 7.533 -0.031) 12.849 18.605 ( -19.811 4.172 -0.061) 20.245 19.581 ( 16.141 1.734 0.229) 16.235 20.111 ( 23.338 -12.165 -0.189) 26.319 ======================= Grid point 356 (136/417) ======================= q-point: (-0.19 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.159 ( -17.218 0.010 0.021) 17.218 4.679 ( -2.613 0.137 -0.166) 2.622 4.827 ( -12.341 -0.150 0.199) 12.344 5.070 ( -8.624 0.075 -0.077) 8.625 5.387 ( -1.879 -0.148 -0.464) 1.941 5.539 ( -9.230 0.138 0.868) 9.272 5.608 ( -24.059 -0.009 -0.069) 24.059 6.344 ( 0.870 0.034 -0.506) 1.007 6.513 ( 8.483 0.002 0.407) 8.492 7.391 ( -5.096 -0.130 -0.201) 5.101 8.352 ( -8.027 0.423 -0.059) 8.038 8.424 ( 1.220 -0.404 0.327) 1.326 13.436 ( 15.477 -0.020 -0.049) 15.477 14.003 ( 25.978 -0.007 -0.010) 25.978 15.171 ( -8.395 0.023 0.004) 8.395 18.311 ( -15.386 0.026 0.020) 15.386 19.869 ( 15.542 -0.144 -0.129) 15.544 20.498 ( 26.407 0.113 0.061) 26.408 ======================= Grid point 357 (137/417) ======================= q-point: (-0.12 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.817 ( -23.660 2.891 0.096) 23.836 4.446 ( -25.365 -9.493 0.421) 27.087 4.625 ( -7.218 3.082 -0.507) 7.865 4.886 ( -11.159 -0.223 -0.012) 11.161 5.176 ( -15.679 -0.735 0.480) 15.703 5.351 ( -3.655 0.811 -0.984) 3.871 5.472 ( -6.270 1.186 1.221) 6.497 6.275 ( -6.578 -4.941 -0.456) 8.240 6.671 ( 9.211 -0.118 0.724) 9.240 7.331 ( 3.082 -6.386 -1.263) 7.203 8.171 ( -12.106 1.443 0.153) 12.193 8.466 ( -6.005 14.313 0.660) 15.535 13.763 ( 21.069 0.126 -0.107) 21.070 14.461 ( 27.640 -3.998 -0.104) 27.928 15.052 ( -1.116 -4.460 0.034) 4.598 18.085 ( -9.749 -1.311 0.019) 9.837 20.108 ( 12.358 -1.197 -0.162) 12.417 20.979 ( 24.821 4.783 0.041) 25.278 ======================= Grid point 358 (138/417) ======================= q-point: (-0.06 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.404 ( -29.398 7.305 0.274) 30.294 3.805 ( -32.474 -12.192 0.524) 34.691 4.518 ( -8.503 2.630 -0.603) 8.920 4.698 ( -13.662 5.568 -0.015) 14.754 4.982 ( -7.748 -0.031 0.851) 7.795 5.262 ( -6.880 -0.082 -1.814) 7.116 5.382 ( -6.735 3.157 2.025) 7.709 6.036 ( -10.960 -9.489 -0.236) 14.498 6.824 ( 8.202 -0.409 1.043) 8.278 7.329 ( -1.454 -0.216 -2.990) 3.331 8.010 ( -6.230 0.836 0.238) 6.290 8.485 ( -10.533 17.433 1.608) 20.431 14.121 ( 20.647 -4.274 -0.115) 21.085 14.825 ( 23.090 -12.288 -0.176) 26.157 15.127 ( 14.632 -1.217 -0.116) 14.683 17.947 ( -4.346 -1.759 0.003) 4.689 20.261 ( 6.569 -1.689 0.126) 6.784 21.423 ( 19.990 4.359 -0.356) 20.463 ======================= Grid point 365 (139/417) ======================= q-point: ( 0.38 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.209 ( -0.000 22.623 0.597) 22.631 3.264 ( -0.000 33.094 0.381) 33.096 4.432 ( 0.000 7.422 -0.743) 7.460 4.717 ( 0.000 21.135 -0.422) 21.139 4.876 ( -0.000 -1.019 0.494) 1.132 5.262 ( 0.000 6.148 -0.979) 6.225 5.364 ( -0.000 10.501 2.674) 10.836 5.711 ( -0.000 4.960 -0.061) 4.960 6.904 ( -0.000 -7.179 1.257) 7.288 7.306 ( 0.000 3.925 -4.275) 5.803 8.011 ( -0.000 5.001 0.433) 5.019 8.696 ( -0.000 21.413 2.113) 21.517 14.169 ( 0.000 -18.443 0.134) 18.443 14.844 ( 0.000 -28.842 -0.337) 28.844 15.271 ( 0.000 -19.717 -0.577) 19.725 17.859 ( 0.000 -1.783 -0.134) 1.788 20.296 ( -0.000 -1.120 0.517) 1.234 21.691 ( 0.000 -12.006 -0.836) 12.035 ======================= Grid point 366 (140/417) ======================= q-point: ( 0.44 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.584 ( 12.854 20.797 0.424) 24.452 3.620 ( 8.614 28.290 0.360) 29.574 4.529 ( 3.176 6.047 -0.694) 6.865 4.815 ( -2.571 6.966 0.119) 7.426 4.972 ( 4.788 9.179 0.426) 10.362 5.319 ( 0.220 5.288 -1.563) 5.518 5.474 ( 0.378 8.974 2.539) 9.334 5.854 ( 10.100 4.362 -0.133) 11.002 6.809 ( -2.051 -8.387 1.240) 8.723 7.239 ( 0.006 -12.498 -3.020) 12.858 8.138 ( -0.994 19.181 -0.062) 19.207 8.848 ( -6.932 19.494 1.576) 20.750 13.995 ( -0.628 -17.124 0.037) 17.136 14.558 ( -0.260 -25.903 -0.258) 25.905 15.050 ( -3.142 -16.289 -0.248) 16.591 17.882 ( 4.359 -0.108 -0.096) 4.362 20.254 ( -2.618 -4.103 0.195) 4.871 21.479 ( -9.030 -13.955 -0.361) 16.626 ======================= Grid point 367 (141/417) ======================= q-point: ( 0.50 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.924 ( 4.700 22.010 0.131) 22.506 4.196 ( 24.938 16.709 0.370) 30.021 4.647 ( 3.915 5.168 -0.608) 6.512 4.868 ( 2.984 3.840 0.232) 4.869 5.170 ( 6.611 11.445 0.618) 13.232 5.365 ( -0.246 4.454 -1.284) 4.642 5.562 ( 0.135 6.550 1.744) 6.779 6.101 ( 12.497 2.472 -0.391) 12.745 6.677 ( -3.488 -8.360 1.009) 9.114 7.118 ( 4.554 -14.692 -1.723) 15.477 8.310 ( -2.409 19.170 -0.240) 19.322 8.852 ( -12.899 15.376 1.030) 20.096 13.761 ( -7.739 -14.827 -0.106) 16.726 14.303 ( -1.884 -24.671 -0.129) 24.743 14.915 ( 4.164 -7.745 -0.022) 8.794 18.015 ( 8.701 3.925 -0.039) 9.545 20.110 ( -6.750 -8.348 -0.083) 10.736 21.109 ( -16.492 -14.507 -0.039) 21.965 ======================= Grid point 368 (142/417) ======================= q-point: ( 0.56 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.199 ( 4.905 15.768 0.058) 16.514 4.622 ( 7.628 3.295 -0.027) 8.309 4.814 ( 8.269 8.689 -0.028) 11.995 5.007 ( 8.474 3.811 0.062) 9.292 5.370 ( 1.224 2.164 -0.668) 2.574 5.523 ( 15.703 16.783 0.347) 22.987 5.616 ( -0.472 4.152 1.034) 4.304 6.266 ( 4.975 -1.416 -0.683) 5.217 6.532 ( -4.095 -7.242 0.599) 8.342 7.168 ( 15.442 -7.655 -0.558) 17.244 8.414 ( -4.002 11.755 -0.119) 12.419 8.721 ( -16.716 10.000 0.538) 19.486 13.470 ( -9.902 -10.095 -0.126) 14.141 13.967 ( -8.628 -22.175 -0.019) 23.795 15.044 ( 13.070 0.238 0.028) 13.072 18.261 ( 11.790 9.251 0.032) 14.986 19.862 ( -9.042 -12.416 -0.285) 15.362 20.634 ( -21.026 -14.160 0.149) 25.350 ======================= Grid point 369 (143/417) ======================= q-point: ( 0.62 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.411 ( 4.656 9.860 0.038) 10.904 4.682 ( 0.789 -0.951 -0.162) 1.246 4.989 ( 4.400 5.038 0.253) 6.694 5.162 ( 3.542 2.129 -0.101) 4.133 5.410 ( 2.383 2.358 -0.265) 3.363 5.629 ( -1.328 1.277 0.424) 1.891 6.072 ( 21.788 18.754 0.258) 28.749 6.273 ( -0.058 -2.333 -0.573) 2.403 6.404 ( -3.256 -4.640 0.240) 5.674 7.456 ( 18.941 1.313 -0.050) 18.987 8.385 ( -7.188 0.331 0.277) 7.201 8.500 ( -14.897 3.493 -0.061) 15.301 13.250 ( -6.189 -4.462 -0.090) 7.630 13.600 ( -10.026 -16.614 0.043) 19.404 15.304 ( 11.759 5.217 0.011) 12.864 18.606 ( 13.728 14.971 0.119) 20.313 19.576 ( -7.176 -14.316 -0.414) 16.019 20.113 ( -21.788 -14.491 0.239) 26.167 ======================= Grid point 370 (144/417) ======================= q-point: ( 0.69 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.558 ( 3.176 5.593 0.058) 6.432 4.655 ( -1.364 -2.683 -0.133) 3.012 5.094 ( 2.295 4.078 0.166) 4.683 5.173 ( -1.130 -1.686 -0.078) 2.031 5.496 ( 2.654 4.061 -0.137) 4.854 5.597 ( -1.634 -2.296 0.203) 2.825 6.246 ( -0.044 -0.794 -0.230) 0.828 6.306 ( -1.286 -1.762 0.141) 2.185 6.565 ( 8.356 14.347 -0.041) 16.602 7.759 ( 5.674 10.295 0.093) 11.756 8.224 ( -2.497 -5.382 0.178) 5.935 8.305 ( -5.350 -8.242 -0.121) 9.827 13.182 ( 0.533 0.855 -0.064) 1.010 13.320 ( -5.838 -9.982 0.068) 11.564 15.501 ( 3.243 5.572 -0.006) 6.447 19.026 ( 12.642 21.154 0.158) 24.644 19.354 ( -5.821 -8.236 -0.327) 10.091 19.621 ( -11.421 -20.916 0.149) 23.831 ======================= Grid point 371 (145/417) ======================= q-point: (-0.25 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.556 ( -6.336 -0.022 0.028) 6.336 4.660 ( 3.147 0.086 -0.068) 3.149 5.088 ( -4.957 -0.029 0.087) 4.958 5.176 ( 2.048 -0.077 -0.042) 2.050 5.502 ( -4.677 0.167 -0.092) 4.681 5.588 ( 2.358 -0.164 0.131) 2.367 6.257 ( 1.604 0.272 -0.190) 1.638 6.299 ( 1.539 -0.203 0.141) 1.559 6.566 ( -16.537 0.034 -0.022) 16.538 7.756 ( -11.785 -0.126 0.051) 11.786 8.218 ( 5.381 0.247 0.082) 5.388 8.309 ( 9.979 -0.240 -0.053) 9.983 13.185 ( -1.002 0.020 -0.035) 1.003 13.317 ( 11.572 -0.036 0.037) 11.572 15.501 ( -6.438 0.012 -0.003) 6.438 19.020 ( -24.429 0.189 0.079) 24.429 19.366 ( 10.009 -0.507 -0.175) 10.023 19.615 ( 23.718 0.327 0.085) 23.721 ======================= Grid point 372 (146/417) ======================= q-point: (-0.19 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.410 ( -10.830 0.920 0.030) 10.869 4.691 ( 0.590 -0.958 -0.057) 1.127 4.979 ( -6.843 -1.308 0.132) 6.968 5.162 ( -3.377 -2.254 -0.108) 4.061 5.424 ( -2.878 -0.759 -0.140) 2.980 5.607 ( -1.326 1.693 0.240) 2.164 6.071 ( -27.283 -9.470 0.191) 28.881 6.297 ( 2.665 -0.690 -0.398) 2.782 6.389 ( 5.150 0.076 0.227) 5.156 7.454 ( -10.274 -15.761 -0.081) 18.814 8.392 ( 3.714 7.400 0.404) 8.289 8.484 ( 3.697 13.557 -0.293) 14.055 13.252 ( 6.964 3.072 -0.066) 7.612 13.598 ( 19.491 0.334 0.018) 19.494 15.305 ( -10.402 -7.498 0.022) 12.823 18.606 ( -19.867 -4.094 0.115) 20.285 19.577 ( 16.223 -1.965 -0.407) 16.347 20.114 ( 23.301 12.322 0.258) 26.359 ======================= Grid point 373 (147/417) ======================= q-point: (-0.12 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.198 ( -16.154 3.676 0.060) 16.567 4.635 ( -6.679 -5.015 0.142) 8.354 4.801 ( -11.541 -2.414 -0.194) 11.792 5.014 ( -7.300 -5.551 0.122) 9.171 5.372 ( -4.481 -1.497 -0.671) 4.772 5.534 ( -20.347 -3.803 0.525) 20.706 5.581 ( -4.089 2.328 0.574) 4.740 6.290 ( -1.719 -5.181 -0.529) 5.484 6.512 ( 8.345 -0.357 0.559) 8.371 7.176 ( -0.389 -16.758 -0.493) 16.770 8.424 ( -8.414 9.489 -0.040) 12.682 8.698 ( -0.314 19.314 0.301) 19.319 13.471 ( 13.705 3.436 -0.113) 14.130 13.967 ( 23.673 -3.657 -0.023) 23.954 15.046 ( -6.737 -11.100 0.050) 12.984 18.262 ( -13.931 -5.459 0.051) 14.962 19.857 ( 15.423 1.060 -0.349) 15.463 20.640 ( 22.693 11.520 0.219) 25.451 ======================= Grid point 374 (148/417) ======================= q-point: (-0.06 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.924 ( -21.499 7.094 0.150) 22.639 4.199 ( -27.271 -13.382 0.408) 30.380 4.650 ( -6.050 -0.233 -0.586) 6.083 4.871 ( -4.608 -1.522 0.258) 4.860 5.168 ( -12.013 0.400 0.577) 12.033 5.374 ( -5.549 2.040 -1.477) 6.094 5.528 ( -5.526 3.520 1.614) 6.748 6.109 ( -8.814 -10.005 -0.312) 13.338 6.660 ( 9.178 -1.371 0.907) 9.324 7.137 ( 10.780 -10.788 -1.504) 15.325 8.316 ( -15.662 11.833 -0.212) 19.631 8.832 ( -6.727 18.755 0.832) 19.942 13.760 ( 16.667 -0.818 -0.114) 16.688 14.305 ( 22.481 -10.768 -0.107) 24.927 14.919 ( 4.739 -7.380 0.023) 8.771 18.017 ( -7.723 -5.531 -0.010) 9.499 20.101 ( 10.720 1.348 -0.188) 10.806 21.117 ( 20.726 7.243 0.059) 21.956 ======================= Grid point 382 (149/417) ======================= q-point: ( 0.44 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.610 ( -0.000 16.885 0.527) 16.894 3.878 ( -0.000 27.333 0.149) 27.334 4.551 ( 0.000 4.711 -0.575) 4.746 4.846 ( -0.000 -2.101 0.333) 2.127 5.058 ( -0.000 13.481 0.369) 13.486 5.369 ( 0.000 5.338 -1.520) 5.550 5.563 ( -0.000 7.916 2.022) 8.170 5.807 ( -0.000 4.387 -0.047) 4.387 6.743 ( -0.000 -8.746 1.154) 8.822 7.067 ( 0.000 -18.848 -2.240) 18.980 8.374 ( 0.000 23.290 -0.433) 23.294 9.099 ( -0.000 16.861 1.212) 16.905 13.834 ( 0.000 -14.463 0.091) 14.464 14.317 ( 0.000 -22.861 -0.250) 22.863 14.913 ( 0.000 -15.324 -0.123) 15.324 17.827 ( 0.000 -1.258 -0.095) 1.261 20.250 ( -0.000 -2.999 0.066) 3.000 21.422 ( 0.000 -13.376 -0.162) 13.377 ======================= Grid point 383 (150/417) ======================= q-point: ( 0.50 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.920 ( 16.265 13.337 0.419) 21.038 4.143 ( 2.125 21.670 0.032) 21.774 4.621 ( 3.177 3.400 -0.462) 4.676 4.839 ( 1.752 -1.217 0.244) 2.147 5.203 ( 2.663 10.460 0.602) 10.811 5.416 ( -0.303 5.053 -1.205) 5.203 5.634 ( -0.420 6.045 1.328) 6.204 5.930 ( 8.923 3.082 -0.112) 9.441 6.643 ( -1.828 -8.012 0.936) 8.271 6.885 ( 2.156 -18.329 -1.504) 18.517 8.569 ( -3.111 20.062 -0.440) 20.306 9.184 ( -7.655 12.834 0.809) 14.966 13.709 ( -0.725 -10.833 0.009) 10.857 14.091 ( -1.380 -19.885 -0.150) 19.933 14.778 ( 1.055 -10.500 -0.015) 10.553 17.884 ( 7.431 0.228 -0.061) 7.435 20.167 ( -5.908 -4.042 -0.080) 7.158 21.211 ( -9.550 -11.689 0.011) 15.095 ======================= Grid point 384 (151/417) ======================= q-point: ( 0.56 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.283 ( 5.064 13.569 0.166) 14.484 4.450 ( 16.127 7.250 0.113) 17.682 4.732 ( 7.301 3.812 -0.407) 8.247 4.893 ( 5.356 -0.400 0.239) 5.376 5.352 ( 3.778 4.531 -0.034) 5.899 5.485 ( 3.733 8.610 -0.169) 9.386 5.674 ( -0.963 3.878 0.673) 4.052 6.126 ( 9.605 0.187 -0.249) 9.610 6.529 ( -3.106 -6.085 0.494) 6.850 6.822 ( 10.643 -12.365 -0.622) 16.326 8.652 ( -6.792 13.193 -0.251) 14.841 9.099 ( -14.304 8.418 0.393) 16.602 13.558 ( -7.714 -4.736 -0.092) 9.053 13.860 ( -3.337 -18.487 -0.017) 18.786 14.801 ( 10.732 -3.702 0.034) 11.353 18.089 ( 13.983 3.044 -0.008) 14.311 19.959 ( -11.908 -5.863 -0.194) 13.275 20.868 ( -17.640 -8.784 0.124) 19.706 ======================= Grid point 385 (152/417) ======================= q-point: ( 0.62 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.442 ( 2.256 7.737 0.051) 8.059 4.632 ( 3.943 -1.396 0.010) 4.183 4.943 ( 5.927 3.670 0.003) 6.971 5.045 ( 12.254 0.363 0.016) 12.259 5.397 ( 0.621 0.758 -0.169) 0.994 5.676 ( -1.600 1.754 -0.015) 2.374 5.803 ( 20.814 8.506 0.329) 22.487 6.221 ( 3.181 -2.002 -0.118) 3.761 6.423 ( -3.482 -3.199 0.052) 4.729 7.041 ( 22.692 -3.854 -0.075) 23.017 8.590 ( -10.735 4.869 0.009) 11.788 8.866 ( -19.145 3.840 -0.001) 19.526 13.370 ( -10.007 -0.230 -0.076) 10.010 13.610 ( -7.183 -11.821 0.017) 13.832 15.051 ( 18.073 0.248 0.033) 18.075 18.418 ( 18.622 4.984 0.058) 19.277 19.657 ( -14.660 -6.266 -0.258) 15.945 20.436 ( -23.568 -5.168 0.169) 24.129 ======================= Grid point 386 (153/417) ======================= q-point: (-0.31 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.529 ( 3.357 -0.045 -0.020) 3.357 4.654 ( 0.202 0.095 0.103) 0.246 5.043 ( 4.642 -0.122 -0.057) 4.644 5.176 ( 2.029 0.068 -0.071) 2.031 5.439 ( 4.006 0.070 0.131) 4.009 5.641 ( -3.003 -0.132 -0.137) 3.009 6.238 ( 0.753 -0.216 0.150) 0.798 6.270 ( 17.915 0.325 0.019) 17.918 6.371 ( 4.780 -0.065 -0.077) 4.781 7.456 ( 25.006 -0.010 -0.051) 25.006 8.395 ( -13.105 -0.085 0.121) 13.106 8.534 ( -19.981 0.018 -0.190) 19.982 13.230 ( -5.555 0.060 0.018) 5.556 13.403 ( -8.984 -0.049 -0.037) 8.984 15.359 ( 14.927 -0.003 0.017) 14.927 18.808 ( 21.642 -0.099 0.082) 21.642 19.381 ( -10.949 0.216 -0.191) 10.953 19.963 ( -26.938 -0.097 0.120) 26.938 ======================= Grid point 387 (154/417) ======================= q-point: (-0.25 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.557 ( 3.140 -5.562 -0.078) 6.388 4.657 ( -1.336 2.765 0.184) 3.077 5.092 ( 2.335 -4.193 -0.232) 4.805 5.174 ( -1.186 1.663 0.111) 2.045 5.499 ( 2.732 -3.933 0.212) 4.794 5.593 ( -1.650 2.067 -0.309) 2.663 6.250 ( -0.016 1.166 0.378) 1.226 6.304 ( -1.325 1.515 -0.252) 2.028 6.565 ( 8.364 -14.309 0.058) 16.574 7.758 ( 5.598 -10.355 -0.132) 11.772 8.221 ( -2.231 5.262 -0.235) 5.721 8.307 ( -5.533 8.227 0.156) 9.916 13.183 ( 0.545 -0.844 0.091) 1.009 13.319 ( -5.864 9.970 -0.097) 11.567 15.501 ( 3.249 -5.564 0.008) 6.443 19.024 ( 12.713 -20.998 -0.216) 24.547 19.359 ( -6.146 8.022 0.459) 10.117 19.618 ( -11.176 21.004 -0.216) 23.793 ======================= Grid point 388 (155/417) ======================= q-point: (-0.19 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.527 ( -1.679 -2.827 -0.018) 3.288 4.663 ( 0.090 -0.028 0.106) 0.142 5.039 ( -2.500 -4.078 -0.059) 4.783 5.170 ( -1.052 -1.964 -0.078) 2.229 5.450 ( -1.813 -3.303 0.139) 3.770 5.630 ( 1.234 2.429 -0.140) 2.728 6.257 ( -5.240 -7.433 0.593) 9.113 6.265 ( -2.706 -6.593 -0.418) 7.139 6.364 ( -3.753 -6.327 -0.082) 7.357 7.452 ( -12.391 -21.442 -0.051) 24.765 8.405 ( 6.528 11.501 0.149) 13.225 8.517 ( 9.783 16.883 -0.220) 19.514 13.231 ( 2.798 4.723 0.019) 5.489 13.400 ( 4.444 7.797 -0.038) 8.975 15.361 ( -7.428 -12.861 0.017) 14.852 18.815 ( -10.972 -18.800 0.084) 21.768 19.366 ( 5.648 9.353 -0.187) 10.927 19.972 ( 13.470 23.514 0.114) 27.099 ======================= Grid point 389 (156/417) ======================= q-point: (-0.12 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.441 ( -7.748 1.909 0.047) 7.979 4.645 ( -0.692 -3.959 0.018) 4.019 4.933 ( -6.334 -3.210 -0.000) 7.101 5.046 ( -5.989 -10.086 0.009) 11.730 5.404 ( -1.398 -1.097 -0.183) 1.787 5.656 ( -1.204 2.430 0.066) 2.713 5.798 ( -17.470 -13.961 0.253) 22.364 6.254 ( -0.146 -3.594 -0.160) 3.601 6.399 ( 4.349 0.942 0.118) 4.451 7.046 ( -7.494 -20.799 -0.081) 22.108 8.603 ( 1.178 11.832 0.004) 11.890 8.842 ( 6.062 18.245 0.001) 19.226 13.371 ( 5.169 8.500 -0.076) 9.948 13.607 ( 13.926 0.292 0.017) 13.930 15.053 ( -9.242 -15.456 0.033) 18.008 18.421 ( -13.756 -13.614 0.059) 19.354 19.643 ( 12.993 9.257 -0.252) 15.955 20.447 ( 16.178 18.065 0.163) 24.251 ======================= Grid point 390 (157/417) ======================= q-point: (-0.06 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.285 ( -14.208 2.806 0.160) 14.484 4.457 ( -14.963 -11.019 0.130) 18.583 4.736 ( -6.537 -3.377 -0.447) 7.372 4.888 ( -2.395 -5.700 0.265) 6.188 5.331 ( -6.138 -1.454 0.013) 6.308 5.510 ( -8.312 1.080 -0.369) 8.390 5.644 ( -3.363 2.973 0.798) 4.559 6.141 ( -5.852 -8.823 -0.282) 10.591 6.503 ( 7.117 -0.759 0.529) 7.177 6.848 ( 5.783 -14.001 -0.592) 15.160 8.664 ( -8.228 12.623 -0.290) 15.070 9.072 ( 0.005 16.348 0.428) 16.353 13.557 ( 7.938 4.254 -0.092) 9.007 13.860 ( 17.799 -6.321 -0.018) 18.888 14.805 ( -2.145 -11.126 0.035) 11.331 18.092 ( -9.658 -10.623 -0.008) 14.357 19.945 ( 11.184 7.156 -0.189) 13.279 20.880 ( 16.329 11.078 0.120) 19.733 ======================= Grid point 399 (158/417) ======================= q-point: ( 0.50 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.881 ( -0.000 9.569 0.327) 9.574 4.331 ( -0.000 16.645 -0.027) 16.645 4.619 ( 0.000 2.302 -0.205) 2.311 4.801 ( -0.000 -2.166 0.048) 2.166 5.275 ( -0.000 7.647 0.522) 7.664 5.469 ( 0.000 5.359 -0.809) 5.420 5.693 ( -0.000 4.134 0.731) 4.198 5.878 ( -0.000 2.571 -0.037) 2.571 6.587 ( -0.000 -6.559 0.869) 6.616 6.684 ( 0.000 -16.321 -1.167) 16.363 8.780 ( 0.000 15.446 -0.365) 15.450 9.361 ( -0.000 8.546 0.473) 8.559 13.605 ( 0.000 -7.974 0.050) 7.974 13.950 ( 0.000 -12.969 -0.140) 12.969 14.670 ( 0.000 -8.529 0.016) 8.529 17.808 ( 0.000 -0.631 -0.048) 0.632 20.195 ( 0.000 -2.086 -0.133) 2.090 21.193 ( 0.000 -8.575 0.090) 8.576 ======================= Grid point 400 (159/417) ======================= q-point: ( 0.56 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.112 ( 16.667 5.096 0.212) 17.430 4.449 ( -0.761 7.980 -0.029) 8.017 4.663 ( 3.129 1.053 -0.081) 3.302 4.814 ( 3.266 -0.827 -0.016) 3.369 5.347 ( 1.602 3.238 0.001) 3.612 5.522 ( 0.528 4.992 -0.111) 5.021 5.718 ( -0.547 1.711 0.179) 1.805 5.971 ( 7.733 0.998 -0.033) 7.797 6.522 ( -1.654 -3.534 0.322) 3.916 6.579 ( 4.182 -9.440 -0.315) 10.330 8.862 ( -4.247 8.099 -0.113) 9.145 9.357 ( -7.680 4.155 0.059) 8.732 13.575 ( 2.259 -2.607 0.002) 3.449 13.792 ( -6.006 -8.692 -0.056) 10.565 14.635 ( 4.051 -3.633 0.032) 5.441 17.888 ( 9.442 0.156 -0.014) 9.443 20.107 ( -8.018 -1.578 -0.186) 8.174 21.042 ( -9.601 -4.544 0.152) 10.623 ======================= Grid point 401 (160/417) ======================= q-point: (-0.38 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.466 ( 15.947 -1.325 0.116) 16.003 4.472 ( -0.004 1.260 0.025) 1.260 4.783 ( 11.809 0.185 0.111) 11.811 4.881 ( 4.516 -0.137 -0.131) 4.520 5.389 ( 1.310 0.064 -0.194) 1.325 5.603 ( 6.795 -0.041 0.029) 6.795 5.711 ( -1.121 -0.240 -0.204) 1.164 6.121 ( 7.570 0.140 0.257) 7.575 6.461 ( -2.887 -0.227 -0.389) 2.922 6.686 ( 13.980 0.242 0.383) 13.988 8.792 ( -8.457 0.120 0.158) 8.459 9.183 ( -14.446 -0.169 -0.323) 14.450 13.573 ( -11.497 0.171 -0.004) 11.498 13.605 ( -0.109 -0.140 -0.026) 0.180 14.764 ( 13.001 -0.009 0.040) 13.001 18.122 ( 16.478 0.006 0.031) 16.478 19.897 ( -14.387 0.051 -0.203) 14.388 20.777 ( -17.900 -0.031 0.172) 17.901 ======================= Grid point 402 (161/417) ======================= q-point: (-0.31 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.441 ( 2.271 -7.755 -0.044) 8.081 4.634 ( 3.980 1.448 0.257) 4.243 4.941 ( 5.758 -3.728 -0.202) 6.862 5.045 ( 12.328 -0.382 0.026) 12.334 5.400 ( 0.641 -0.479 0.271) 0.845 5.673 ( -1.776 -1.979 -0.470) 2.701 5.799 ( 21.053 -8.852 -0.299) 22.840 6.227 ( 3.251 2.334 0.731) 4.068 6.419 ( -3.396 2.938 -0.512) 4.519 7.042 ( 22.523 4.015 0.166) 22.879 8.591 ( -10.831 -4.779 0.259) 11.841 8.863 ( -19.049 -4.062 -0.508) 19.484 13.371 ( -10.009 0.285 0.068) 10.014 13.609 ( -7.190 11.822 -0.071) 13.837 15.051 ( 18.073 -0.263 0.031) 18.075 18.417 ( 18.587 -5.014 0.042) 19.251 19.658 ( -14.588 6.437 -0.116) 15.945 20.435 ( -23.607 5.073 0.119) 24.146 ======================= Grid point 403 (162/417) ======================= q-point: (-0.25 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.410 ( 4.656 -9.847 -0.035) 10.893 4.685 ( 0.789 1.024 0.288) 1.324 4.985 ( 4.373 -5.155 -0.364) 6.770 5.163 ( 3.599 -2.111 0.056) 4.173 5.415 ( 2.276 -2.079 0.482) 3.120 5.621 ( -1.257 -1.711 -0.736) 2.247 6.069 ( 21.871 -18.724 -0.137) 28.791 6.283 ( -0.091 2.533 0.861) 2.677 6.399 ( -3.130 4.436 -0.486) 5.451 7.456 ( 18.815 -1.186 -0.019) 18.852 8.383 ( -7.677 -0.448 -0.022) 7.690 8.498 ( -14.382 -3.568 -0.288) 14.821 13.251 ( -6.195 4.481 0.095) 7.647 13.600 ( -10.047 16.642 -0.070) 19.440 15.304 ( 11.765 -5.224 0.012) 12.872 18.605 ( 13.658 -14.965 -0.070) 20.261 19.581 ( -7.006 14.436 0.238) 16.048 20.110 ( -21.899 14.401 -0.096) 26.209 ======================= Grid point 404 (163/417) ======================= q-point: (-0.19 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.411 ( 6.222 -8.917 -0.039) 10.873 4.689 ( -1.030 0.020 0.251) 1.060 4.982 ( 2.178 -6.575 -0.342) 6.935 5.161 ( -0.271 -3.995 0.089) 4.005 5.420 ( 1.031 -3.105 0.439) 3.301 5.614 ( 1.743 -0.074 -0.669) 1.868 6.074 ( 5.537 -28.297 -0.191) 28.834 6.288 ( -1.707 1.812 0.867) 2.636 6.394 ( -2.690 4.739 -0.506) 5.473 7.453 ( -8.488 -16.939 0.020) 18.946 8.396 ( 4.190 6.526 -0.167) 7.757 8.483 ( 10.091 10.452 -0.117) 14.529 13.251 ( -0.816 7.545 0.100) 7.590 13.599 ( -9.454 17.019 -0.061) 19.468 15.305 ( -1.284 -12.741 0.000) 12.805 18.608 ( 6.408 -19.305 -0.103) 20.341 19.571 ( -9.766 13.116 0.348) 16.356 20.117 ( -1.021 26.320 -0.176) 26.340 ======================= Grid point 405 (164/417) ======================= q-point: (-0.12 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.442 ( 5.520 -5.740 -0.047) 7.963 4.645 ( -3.039 -2.570 0.138) 3.983 4.933 ( 0.318 -7.156 -0.119) 7.164 5.046 ( -5.725 -10.170 0.005) 11.671 5.403 ( -0.127 -1.854 0.246) 1.875 5.657 ( 2.548 0.178 -0.268) 2.569 5.800 ( -3.452 -21.945 -0.308) 22.217 6.252 ( -2.805 -1.993 0.567) 3.487 6.401 ( -1.531 4.341 -0.437) 4.624 7.045 ( -14.215 -16.980 0.136) 22.145 8.602 ( 9.686 6.861 0.163) 11.871 8.843 ( 12.678 14.474 -0.301) 19.244 13.370 ( 4.800 8.708 0.078) 9.944 13.607 ( -6.715 12.206 -0.048) 13.931 15.054 ( -8.769 -15.725 -0.001) 18.005 18.422 ( -4.932 -18.733 -0.009) 19.371 19.642 ( 1.602 15.871 0.076) 15.952 20.447 ( 7.512 23.052 -0.026) 24.246 ======================= Grid point 406 (165/417) ======================= q-point: (-0.06 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.472 ( 0.152 0.263 -0.000) 0.304 4.479 ( -8.279 -14.339 -0.000) 16.558 4.794 ( -5.663 -9.808 -0.000) 11.326 4.868 ( -2.377 -4.117 -0.000) 4.754 5.372 ( -1.268 -2.197 -0.000) 2.537 5.610 ( -2.868 -4.968 -0.000) 5.737 5.691 ( 0.483 0.836 -0.000) 0.965 6.143 ( -4.394 -7.610 -0.000) 8.787 6.431 ( 1.321 2.287 -0.000) 2.641 6.715 ( -6.085 -10.539 0.000) 12.170 8.806 ( 4.261 7.381 -0.000) 8.523 9.155 ( 7.126 12.342 0.000) 14.251 13.572 ( 5.736 9.936 -0.000) 11.473 13.603 ( 0.099 0.172 -0.000) 0.198 14.768 ( -6.506 -11.269 0.000) 13.012 18.125 ( -8.294 -14.366 0.000) 16.589 19.880 ( 7.181 12.438 -0.000) 14.362 20.791 ( 8.993 15.576 -0.000) 17.986 ======================= Grid point 417 (166/417) ======================= q-point: (-0.44 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.980 ( -0.000 -0.105 0.053) 0.118 4.505 ( -0.000 0.028 0.010) 0.030 4.643 ( -0.000 0.080 0.178) 0.195 4.775 ( 0.000 -0.024 -0.185) 0.187 5.350 ( 0.000 -0.186 -0.350) 0.397 5.547 ( -0.000 0.190 0.200) 0.276 5.729 ( 0.000 -0.209 -0.241) 0.319 5.905 ( 0.000 0.007 -0.040) 0.041 6.492 ( 0.000 -0.601 -0.310) 0.677 6.521 ( -0.000 0.724 0.670) 0.986 8.943 ( -0.000 0.161 0.172) 0.236 9.444 ( 0.000 -0.201 -0.363) 0.415 13.524 ( -0.000 -0.018 0.006) 0.019 13.817 ( 0.000 0.047 -0.007) 0.047 14.582 ( -0.000 -0.006 0.025) 0.026 17.802 ( -0.000 0.018 0.005) 0.019 20.173 ( 0.000 0.030 -0.209) 0.212 21.104 ( -0.000 -0.019 0.190) 0.191 ======================= Grid point 418 (167/417) ======================= q-point: (-0.38 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.110 ( 16.671 -5.295 -0.043) 17.492 4.449 ( -0.758 -7.959 0.020) 7.995 4.667 ( 3.191 -0.841 0.388) 3.322 4.812 ( 3.214 0.718 -0.304) 3.307 5.343 ( 1.732 -3.551 -0.607) 3.997 5.527 ( 0.382 -4.466 0.540) 4.515 5.712 ( -0.542 -2.251 -0.670) 2.411 5.972 ( 7.833 -0.947 0.086) 7.891 6.511 ( -1.155 3.436 -1.122) 3.794 6.593 ( 3.589 9.721 1.573) 10.481 8.866 ( -4.271 -7.858 0.403) 8.953 9.352 ( -7.658 -4.498 -0.703) 8.909 13.575 ( 2.289 2.601 -0.016) 3.465 13.792 ( -6.039 8.757 0.042) 10.637 14.635 ( 4.051 3.627 0.035) 5.437 17.889 ( 9.439 -0.126 0.039) 9.440 20.107 ( -8.006 1.639 -0.221) 8.175 21.042 ( -9.610 4.509 0.208) 10.617 ======================= Grid point 419 (168/417) ======================= q-point: (-0.31 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.281 ( 5.209 -13.564 -0.066) 14.530 4.449 ( 16.111 -7.448 0.068) 17.749 4.737 ( 7.137 -3.670 0.407) 8.036 4.890 ( 5.433 0.375 -0.299) 5.454 5.349 ( 4.412 -4.939 -0.471) 6.639 5.491 ( 3.071 -7.870 0.669) 8.474 5.662 ( -0.912 -4.429 -1.095) 4.652 6.131 ( 9.898 -0.147 0.513) 9.913 6.519 ( -2.943 5.872 -0.933) 6.634 6.833 ( 10.162 12.740 1.012) 16.328 8.656 ( -6.875 -13.121 0.442) 14.820 9.090 ( -14.225 -8.659 -0.848) 16.675 13.559 ( -7.667 4.754 0.047) 9.021 13.860 ( -3.387 18.545 0.001) 18.852 14.801 ( 10.723 3.699 0.047) 11.343 18.089 ( 13.962 -3.035 0.061) 14.288 19.960 ( -11.845 5.938 -0.170) 13.251 20.868 ( -17.682 8.750 0.179) 19.729 ======================= Grid point 420 (169/417) ======================= q-point: (-0.25 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.198 ( 4.926 -15.786 -0.041) 16.536 4.624 ( 7.930 -3.436 0.302) 8.647 4.813 ( 7.721 -8.527 -0.271) 11.506 5.008 ( 8.654 -3.764 0.125) 9.438 5.379 ( 1.735 -2.065 0.488) 2.741 5.519 ( 14.967 -16.796 -0.182) 22.498 5.601 ( -0.072 -4.559 -1.189) 4.712 6.278 ( 5.190 1.470 0.954) 5.478 6.522 ( -3.943 7.059 -0.849) 8.130 7.175 ( 15.015 8.106 0.500) 17.071 8.417 ( -4.168 -11.859 0.297) 12.573 8.711 ( -16.545 -10.195 -0.820) 19.451 13.472 ( -9.895 10.119 0.093) 14.153 13.968 ( -8.659 22.254 0.005) 23.879 15.044 ( 13.061 -0.249 0.024) 13.064 18.261 ( 11.736 -9.254 0.018) 14.946 19.865 ( -8.889 12.489 0.032) 15.330 20.633 ( -21.131 14.131 0.054) 25.420 ======================= Grid point 421 (170/417) ======================= q-point: (-0.19 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.160 ( 8.616 -14.875 -0.047) 17.190 4.675 ( 1.620 -2.180 0.377) 2.742 4.831 ( 5.846 -10.817 -0.461) 12.304 5.068 ( 4.521 -7.471 0.174) 8.734 5.377 ( 0.863 -2.087 0.917) 2.438 5.559 ( 4.177 -6.766 -1.883) 8.171 5.607 ( 12.336 -21.335 0.151) 24.645 6.333 ( -0.372 0.798 1.082) 1.395 6.522 ( -4.306 7.477 -0.808) 8.667 7.387 ( 2.506 -4.966 0.470) 5.583 8.351 ( 4.733 -6.370 0.079) 7.936 8.431 ( -1.422 0.727 -0.726) 1.754 13.435 ( -7.772 13.364 0.119) 15.460 14.003 ( -12.971 22.430 0.023) 25.911 15.171 ( 4.242 -7.236 -0.008) 8.387 18.312 ( 7.763 -13.317 -0.049) 15.415 19.866 ( -8.103 13.343 0.311) 15.614 20.500 ( -12.938 22.952 -0.146) 26.347 ======================= Grid point 422 (171/417) ======================= q-point: (-0.12 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.199 ( 11.262 -12.135 -0.064) 16.556 4.636 ( -0.984 -8.064 0.034) 8.124 4.800 ( 3.634 -11.525 0.018) 12.084 5.015 ( -1.102 -9.008 -0.039) 9.075 5.368 ( 1.085 -4.487 0.629) 4.659 5.536 ( 6.565 -19.854 -0.101) 20.911 5.587 ( 4.129 -2.097 -1.221) 4.789 6.286 ( -3.518 -4.001 0.803) 5.388 6.517 ( -4.577 7.136 -0.785) 8.514 7.172 ( -14.202 -8.975 0.585) 16.810 8.423 ( 12.355 -2.614 0.165) 12.629 8.701 ( 16.812 9.522 -0.581) 19.330 13.470 ( -3.873 13.578 0.125) 14.121 13.967 ( -14.986 18.648 0.020) 23.923 15.046 ( -6.241 -11.379 -0.028) 12.978 18.263 ( 2.235 -14.816 -0.032) 14.984 19.855 ( -6.782 13.924 0.281) 15.490 20.641 ( -1.368 25.384 -0.145) 25.421 ======================= Grid point 434 (172/417) ======================= q-point: (-0.38 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.878 ( 0.000 -9.741 -0.172) 9.743 4.331 ( 0.000 -16.711 -0.009) 16.711 4.624 ( -0.000 -2.135 0.505) 2.194 4.798 ( 0.000 2.077 -0.383) 2.112 5.267 ( 0.000 -7.668 -0.668) 7.697 5.481 ( -0.000 -4.822 1.020) 4.929 5.680 ( 0.000 -4.802 -1.192) 4.947 5.878 ( 0.000 -2.552 -0.042) 2.552 6.573 ( 0.000 6.672 -1.103) 6.763 6.705 ( -0.000 16.384 1.784) 16.481 8.786 ( -0.000 -15.322 0.539) 15.331 9.351 ( 0.000 -8.826 -0.962) 8.878 13.605 ( -0.000 7.939 -0.048) 7.939 13.952 ( -0.000 13.051 0.109) 13.051 14.670 ( -0.000 8.558 0.057) 8.558 17.809 ( -0.000 0.665 0.062) 0.668 20.194 ( 0.000 2.111 -0.251) 2.126 21.194 ( -0.000 8.574 0.245) 8.578 ======================= Grid point 435 (173/417) ======================= q-point: (-0.31 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.916 ( 16.324 -13.455 -0.178) 21.156 4.142 ( 2.130 -21.785 -0.084) 21.889 4.628 ( 3.202 -3.292 0.600) 4.631 4.834 ( 1.754 1.190 -0.420) 2.161 5.196 ( 2.594 -10.209 -0.394) 10.541 5.432 ( -0.357 -4.778 1.129) 4.922 5.614 ( -0.364 -6.702 -1.640) 6.909 5.931 ( 9.083 -3.068 0.090) 9.588 6.629 ( -1.770 7.922 -1.061) 8.186 6.907 ( 1.944 18.701 1.673) 18.876 8.575 ( -3.165 -20.094 0.504) 20.348 9.171 ( -7.605 -13.086 -1.065) 15.173 13.708 ( -0.648 10.822 -0.043) 10.842 14.093 ( -1.443 19.953 0.123) 20.006 14.779 ( 1.034 10.562 0.103) 10.613 17.885 ( 7.419 -0.204 0.089) 7.422 20.166 ( -5.864 4.041 -0.249) 7.126 21.212 ( -9.583 11.728 0.255) 15.148 ======================= Grid point 436 (174/417) ======================= q-point: (-0.25 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.923 ( 4.739 -22.064 -0.090) 22.567 4.193 ( 25.013 -16.889 -0.151) 30.181 4.654 ( 3.754 -5.100 0.433) 6.348 4.866 ( 3.180 -3.607 -0.053) 4.809 5.163 ( 6.434 -11.410 -0.382) 13.104 5.381 ( -0.320 -4.282 1.161) 4.448 5.537 ( 0.315 -7.140 -1.934) 7.405 6.106 ( 12.822 -2.506 0.427) 13.072 6.663 ( -3.405 8.253 -0.984) 8.982 7.139 ( 4.126 15.422 1.397) 16.025 8.314 ( -2.526 -19.433 0.302) 19.598 8.838 ( -12.784 -15.653 -1.059) 20.238 13.762 ( -7.669 14.839 0.044) 16.704 14.304 ( -1.916 24.779 0.116) 24.854 14.916 ( 4.094 7.794 0.095) 8.805 18.016 ( 8.662 -3.922 0.076) 9.508 20.110 ( -6.627 8.325 -0.153) 10.642 21.111 ( -16.584 14.588 0.207) 22.088 ======================= Grid point 437 (175/417) ======================= q-point: (-0.19 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.817 ( 9.342 -21.875 -0.117) 23.786 4.442 ( 20.765 -16.564 -0.140) 26.563 4.631 ( 1.068 -8.499 0.146) 8.567 4.879 ( 6.120 -9.572 0.436) 11.369 5.178 ( 8.938 -13.399 -0.638) 16.119 5.345 ( 0.366 -3.090 1.206) 3.337 5.486 ( 2.182 -6.082 -1.954) 6.751 6.270 ( 7.416 -3.115 0.769) 8.081 6.675 ( -4.282 8.072 -0.939) 9.185 7.329 ( 3.502 5.290 1.396) 6.496 8.170 ( 4.849 -10.827 -0.079) 11.864 8.473 ( -9.210 -12.459 -1.034) 15.528 13.763 ( -10.721 18.142 0.112) 21.073 14.460 ( -10.332 25.836 0.171) 27.826 15.051 ( 4.509 1.305 0.016) 4.694 18.084 ( 6.068 -7.762 0.017) 9.852 20.110 ( -5.377 11.123 0.040) 12.355 20.977 ( -16.395 19.220 0.095) 25.263 ======================= Grid point 438 (176/417) ======================= q-point: (-0.12 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.818 ( 14.319 -19.005 -0.132) 23.796 4.449 ( 4.456 -26.726 -0.463) 27.099 4.622 ( 6.245 -4.737 0.541) 7.857 4.886 ( 5.558 -9.752 0.177) 11.226 5.180 ( 7.111 -13.771 -0.678) 15.513 5.344 ( 2.623 -3.145 1.280) 4.291 5.482 ( 4.000 -4.525 -1.796) 6.301 6.271 ( -0.975 -8.044 0.700) 8.133 6.676 ( -4.711 7.999 -1.011) 9.338 7.322 ( -6.888 -1.024 1.691) 7.166 8.172 ( 7.202 -9.715 -0.164) 12.094 8.472 ( 15.276 2.155 -1.000) 15.460 13.763 ( -10.431 18.300 0.142) 21.065 14.460 ( -17.247 21.895 0.161) 27.872 15.052 ( -3.294 -3.199 -0.025) 4.592 18.085 ( 3.746 -9.106 -0.011) 9.846 20.107 ( -7.284 10.162 0.165) 12.504 20.979 ( -8.198 23.816 -0.001) 25.187 ======================= Grid point 451 (177/417) ======================= q-point: (-0.31 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.605 ( 0.000 -16.988 -0.238) 16.990 3.876 ( 0.000 -27.455 -0.167) 27.456 4.559 ( -0.000 -4.627 0.645) 4.672 4.840 ( 0.000 2.045 -0.493) 2.104 5.057 ( -0.000 -13.008 0.270) 13.011 5.386 ( -0.000 -5.376 0.818) 5.438 5.536 ( 0.000 -8.470 -1.898) 8.680 5.807 ( 0.000 -4.363 -0.038) 4.363 6.727 ( 0.000 8.656 -1.054) 8.720 7.095 ( -0.000 19.511 1.902) 19.604 8.380 ( -0.000 -23.514 0.420) 23.518 9.083 ( 0.000 -17.179 -1.171) 17.219 13.832 ( -0.000 14.430 -0.115) 14.430 14.320 ( -0.000 22.933 0.191) 22.934 14.916 ( -0.000 15.476 0.217) 15.477 17.829 ( -0.000 1.286 0.121) 1.292 20.247 ( 0.000 2.925 -0.312) 2.942 21.426 ( -0.000 13.513 0.324) 13.517 ======================= Grid point 452 (178/417) ======================= q-point: (-0.25 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.580 ( 13.446 -20.589 -0.117) 24.591 3.616 ( 8.081 -28.706 -0.293) 29.823 4.537 ( 3.144 -6.020 0.567) 6.815 4.815 ( -2.397 -6.134 0.096) 6.587 4.969 ( 4.443 -9.638 0.115) 10.614 5.334 ( 0.478 -5.573 0.315) 5.602 5.443 ( 0.282 -9.260 -1.813) 9.440 5.855 ( 10.246 -4.360 0.066) 11.135 6.794 ( -2.015 8.358 -0.954) 8.651 7.274 ( -0.178 13.696 2.019) 13.845 8.140 ( -1.056 -19.825 0.103) 19.853 8.829 ( -6.869 -19.889 -1.177) 21.075 13.995 ( -0.529 17.102 -0.093) 17.110 14.561 ( -0.297 25.987 0.215) 25.990 15.054 ( -3.225 16.511 0.308) 16.826 17.884 ( 4.331 0.122 0.129) 4.334 20.250 ( -2.542 3.962 -0.307) 4.717 21.484 ( -9.096 14.216 0.362) 16.881 ======================= Grid point 453 (179/417) ======================= q-point: (-0.19 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.403 ( 8.434 -29.090 -0.238) 30.289 3.800 ( 27.011 -21.948 -0.224) 34.804 4.522 ( 1.988 -8.811 0.367) 9.040 4.685 ( 2.399 -14.888 0.767) 15.100 4.976 ( 4.184 -6.269 -0.505) 7.554 5.299 ( 1.194 -4.381 0.646) 4.586 5.365 ( 2.204 -8.935 -2.050) 9.428 6.035 ( 13.576 -4.721 0.287) 14.376 6.821 ( -3.582 7.239 -0.800) 8.116 7.341 ( 0.351 -1.568 2.261) 2.774 8.014 ( 2.290 -4.495 -0.512) 5.070 8.476 ( -9.349 -18.882 -1.100) 21.099 14.122 ( -6.713 20.022 0.016) 21.118 14.824 ( -0.889 26.015 0.283) 26.031 15.124 ( -6.142 13.294 0.246) 14.646 17.946 ( 3.755 -2.887 0.079) 4.737 20.263 ( -1.803 6.269 -0.233) 6.527 21.422 ( -13.882 15.361 0.382) 20.708 ======================= Grid point 454 (180/417) ======================= q-point: (-0.12 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.328 ( 15.270 -26.366 -0.274) 30.470 3.965 ( 17.211 -29.404 -0.431) 34.073 4.454 ( 5.579 -9.975 0.491) 11.439 4.647 ( 7.600 -12.558 0.581) 14.690 4.979 ( 4.318 -7.041 -0.846) 8.302 5.278 ( 1.121 -4.702 1.628) 5.100 5.344 ( 4.897 -6.625 -2.459) 8.597 6.148 ( 5.320 -9.223 0.396) 10.655 6.823 ( -3.574 6.714 -0.887) 7.657 7.318 ( 3.951 -8.273 2.681) 9.552 8.074 ( -2.145 1.769 -0.209) 2.788 8.232 ( 6.977 -9.471 -1.729) 11.890 14.163 ( -11.790 20.306 0.105) 23.480 14.977 ( -14.176 24.643 0.422) 28.433 15.121 ( -3.915 6.818 0.015) 7.862 17.961 ( 2.593 -4.422 0.016) 5.126 20.287 ( -3.454 5.980 -0.188) 6.908 21.367 ( -10.756 18.513 0.416) 21.415 ======================= Grid point 468 (181/417) ======================= q-point: (-0.25 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.203 ( 0.000 -22.669 -0.143) 22.669 3.259 ( 0.000 -33.223 -0.256) 33.224 4.441 ( -0.000 -7.441 0.503) 7.458 4.729 ( -0.000 -20.791 1.269) 20.829 4.870 ( 0.000 1.043 -0.391) 1.114 5.254 ( 0.000 -8.591 -2.294) 8.892 5.345 ( 0.000 -8.706 0.131) 8.707 5.711 ( 0.000 -4.944 -0.050) 4.944 6.890 ( 0.000 7.335 -0.792) 7.377 7.352 ( -0.000 -2.751 2.487) 3.709 8.005 ( 0.000 -5.789 -0.498) 5.810 8.674 ( 0.000 -21.685 -1.030) 21.710 14.167 ( -0.000 18.418 -0.181) 18.419 14.848 ( -0.000 28.912 0.271) 28.913 15.278 ( -0.000 20.114 0.562) 20.122 17.861 ( -0.000 1.801 0.172) 1.809 20.290 ( 0.000 0.861 -0.380) 0.941 21.700 ( -0.000 12.538 0.501) 12.548 ======================= Grid point 469 (182/417) ======================= q-point: (-0.19 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( 5.308 -34.534 -0.327) 34.941 3.148 ( 19.411 -24.129 -0.072) 30.968 4.388 ( 2.427 -9.658 0.364) 9.965 4.481 ( -0.431 -24.048 1.322) 24.088 4.887 ( 1.126 -2.119 -0.455) 2.443 5.176 ( 3.710 -10.486 -3.588) 11.687 5.271 ( -0.212 -6.189 1.474) 6.365 5.763 ( 10.711 -4.711 0.007) 11.701 6.932 ( -2.115 4.703 -0.452) 5.177 7.232 ( 0.452 -18.979 2.528) 19.151 8.017 ( -0.285 5.238 -1.744) 5.528 8.423 ( -5.505 -15.421 -0.062) 16.374 14.368 ( 0.388 19.411 -0.154) 19.415 15.119 ( -2.774 29.037 0.320) 29.171 15.435 ( -6.300 20.887 0.708) 21.828 17.892 ( 1.293 0.684 0.153) 1.471 20.297 ( 1.133 0.214 -0.373) 1.212 21.745 ( -7.586 10.399 0.656) 12.889 ======================= Grid point 470 (183/417) ======================= q-point: (-0.12 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( 13.422 -32.827 -0.408) 35.467 3.307 ( 24.382 -27.120 -0.251) 36.470 4.206 ( 3.723 -24.150 0.795) 24.448 4.406 ( 6.341 -10.913 0.548) 12.634 4.860 ( 1.827 -6.174 -1.026) 6.520 5.162 ( 5.582 -9.292 -2.327) 11.087 5.224 ( 0.841 -3.843 1.269) 4.134 5.919 ( 10.891 -6.929 0.126) 12.909 6.918 ( -2.119 1.540 -0.238) 2.630 7.081 ( 5.491 -19.449 2.542) 20.369 8.011 ( 3.595 -11.242 -3.313) 12.259 8.264 ( -8.318 10.004 1.259) 13.071 14.523 ( -5.775 18.819 -0.039) 19.685 15.324 ( -5.093 23.688 0.273) 24.231 15.475 ( -13.348 21.373 0.701) 25.209 17.906 ( 0.638 -1.032 0.065) 1.215 20.333 ( 1.893 0.289 -0.493) 1.978 21.692 ( -8.907 10.240 0.959) 13.606 ======================= Grid point 485 (184/417) ======================= q-point: (-0.19 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( 0.000 -36.577 -0.264) 36.578 2.699 ( 0.000 -27.434 0.052) 27.434 4.199 ( -0.000 -33.175 1.578) 33.212 4.267 ( -0.000 -9.866 0.213) 9.868 4.880 ( 0.000 0.089 -0.150) 0.174 4.992 ( 0.000 -15.225 -4.180) 15.788 5.227 ( -0.000 -4.040 1.486) 4.305 5.615 ( 0.000 -4.483 -0.093) 4.484 6.967 ( -0.000 -5.460 1.517) 5.666 7.011 ( -0.000 -19.656 1.101) 19.686 8.001 ( 0.000 -10.413 -4.045) 11.172 8.427 ( -0.000 7.866 2.130) 8.150 14.551 ( -0.000 19.450 -0.225) 19.451 15.464 ( -0.000 31.864 0.353) 31.866 15.716 ( -0.000 22.800 1.119) 22.827 17.901 ( -0.000 2.079 0.204) 2.089 20.253 ( 0.000 -5.012 -0.277) 5.020 21.887 ( -0.000 4.632 0.889) 4.716 ======================= Grid point 486 (185/417) ======================= q-point: (-0.12 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 7.244 -36.951 -0.363) 37.656 2.621 ( 20.803 -28.228 0.040) 35.065 3.847 ( 1.983 -37.517 1.200) 37.589 4.206 ( 4.469 -10.257 0.190) 11.190 4.776 ( -1.673 -11.218 -2.074) 11.530 4.963 ( 6.428 -6.175 -1.472) 9.034 5.191 ( -0.507 -2.718 1.208) 3.018 5.670 ( 9.843 -4.508 -0.062) 10.826 6.789 ( 3.207 -22.374 3.279) 22.840 6.914 ( -0.865 -9.532 -0.369) 9.578 7.854 ( -0.309 -12.194 -3.924) 12.813 8.534 ( -4.953 17.976 1.865) 18.739 14.749 ( -0.152 18.126 -0.181) 18.128 15.722 ( -7.161 30.749 0.374) 31.574 15.886 ( -7.481 23.277 1.255) 24.482 17.912 ( -0.947 1.177 0.149) 1.518 20.231 ( 4.963 -7.171 -0.270) 8.725 21.864 ( -4.295 0.139 1.325) 4.497 ======================= Grid point 502 (186/417) ======================= q-point: (-0.12 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 0.000 -38.072 -0.176) 38.073 2.107 ( 0.000 -31.374 0.286) 31.375 3.404 ( -0.000 -46.177 1.111) 46.190 4.057 ( 0.000 -10.675 -0.048) 10.675 4.628 ( 0.000 -19.037 -3.076) 19.284 4.875 ( -0.000 -0.392 0.069) 0.398 5.186 ( -0.000 -0.529 0.846) 0.998 5.533 ( 0.000 -3.631 -0.141) 3.634 6.543 ( -0.000 -21.552 3.175) 21.784 6.757 ( 0.000 -22.298 -0.192) 22.299 7.765 ( 0.000 -4.668 -3.175) 5.645 8.778 ( -0.000 19.994 1.771) 20.072 14.927 ( -0.000 17.580 -0.228) 17.582 16.121 ( -0.000 33.252 0.352) 33.254 16.196 ( -0.000 24.266 1.742) 24.328 17.944 ( -0.000 2.014 0.204) 2.024 20.064 ( -0.000 -14.236 0.654) 14.251 21.853 ( -0.000 -9.284 1.328) 9.378 ======================= Grid point 555 (187/417) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.083 ( -0.000 0.000 6.008) 6.008 0.083 ( -0.000 0.000 6.008) 6.008 0.212 ( -0.000 0.000 14.595) 14.595 3.651 ( 0.000 -0.000 -0.403) 0.403 3.651 ( 0.000 -0.000 -0.403) 0.403 4.861 ( -0.000 0.000 0.335) 0.335 4.861 ( -0.000 0.000 0.335) 0.335 5.410 ( 0.000 -0.000 -0.113) 0.113 5.410 ( 0.000 -0.000 -0.113) 0.113 5.425 ( 0.000 -0.000 -1.350) 1.350 8.248 ( -0.000 0.000 1.687) 1.687 9.583 ( 0.000 -0.000 -0.199) 0.199 15.518 ( -0.000 0.000 0.014) 0.014 15.518 ( -0.000 0.000 0.014) 0.014 17.387 ( -0.000 0.000 0.040) 0.040 18.015 ( 0.000 -0.000 -0.006) 0.006 18.015 ( 0.000 -0.000 -0.006) 0.006 19.616 ( 0.000 -0.000 -0.474) 0.474 ======================= Grid point 556 (188/417) ======================= q-point: ( 0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 19.816 11.441 6.903) 23.900 0.752 ( 31.156 17.988 1.227) 35.997 1.217 ( 51.859 29.941 0.206) 59.882 3.702 ( 4.406 2.544 -0.557) 5.118 3.829 ( 13.842 7.992 0.152) 15.985 4.866 ( 0.265 0.153 0.450) 0.545 5.271 ( -2.946 -1.701 -5.570) 6.527 5.423 ( 1.240 0.716 -0.177) 1.443 5.577 ( 16.242 9.377 -6.711) 19.919 5.795 ( 21.939 12.667 -6.282) 26.101 7.958 ( -6.731 -3.886 13.249) 15.361 9.435 ( -9.711 -5.607 -3.920) 11.879 15.444 ( -6.189 -3.573 -0.034) 7.147 16.978 ( -9.572 -5.526 -21.677) 24.333 17.527 ( -27.840 -16.073 2.563) 32.249 18.008 ( -0.708 -0.409 0.037) 0.819 19.010 ( 60.718 35.056 -21.487) 73.330 20.298 ( 45.810 26.449 -53.395) 75.161 ======================= Grid point 557 (189/417) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 30.292 17.489 2.789) 35.089 1.463 ( 29.698 17.146 0.941) 34.306 2.385 ( 48.134 27.790 0.113) 55.581 3.845 ( 7.768 4.485 -0.672) 8.995 4.216 ( 17.979 10.380 1.548) 20.818 4.875 ( 0.408 0.236 0.499) 0.687 5.190 ( -2.206 -1.274 -2.298) 3.431 5.465 ( 2.297 1.326 -0.185) 2.659 6.005 ( 20.303 11.722 -9.174) 25.175 6.287 ( 22.094 12.756 1.933) 25.585 7.869 ( -3.742 -2.161 9.895) 10.797 9.135 ( -14.692 -8.483 -4.100) 17.454 15.237 ( -11.484 -6.631 -0.023) 13.261 16.597 ( -18.031 -10.410 -8.761) 22.589 16.835 ( -30.372 -17.536 1.027) 35.086 17.983 ( -1.354 -0.782 0.024) 1.564 19.806 ( 20.011 11.553 8.770) 24.715 21.173 ( 34.572 19.960 -30.499) 50.238 ======================= Grid point 558 (190/417) ======================= q-point: ( 0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 32.449 18.735 1.385) 37.495 2.126 ( 27.119 15.657 0.836) 31.326 3.418 ( 40.173 23.194 -0.244) 46.388 4.044 ( 9.211 5.318 -0.743) 10.662 4.625 ( 16.206 9.357 2.953) 18.945 4.885 ( 0.330 0.190 0.514) 0.639 5.173 ( 1.215 0.702 -1.495) 2.050 5.528 ( 3.152 1.820 -0.158) 3.643 6.456 ( 20.505 11.838 -7.604) 24.868 6.778 ( 17.324 10.002 1.096) 20.034 7.852 ( 1.880 1.086 7.948) 8.240 8.767 ( -15.615 -9.015 -2.536) 18.208 14.924 ( -15.206 -8.779 0.034) 17.559 16.115 ( -25.821 -14.908 -0.797) 29.826 16.174 ( -22.841 -13.187 -3.035) 26.548 17.947 ( -1.766 -1.020 -0.033) 2.039 20.148 ( 9.328 5.385 4.784) 11.785 21.702 ( 14.664 8.466 -10.682) 20.021 ======================= Grid point 559 (191/417) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 31.342 18.096 0.759) 36.199 2.718 ( 23.674 13.668 0.736) 27.346 4.221 ( 28.801 16.629 -0.732) 33.265 4.253 ( 8.627 4.981 -0.774) 9.992 4.889 ( -0.199 -0.115 0.517) 0.565 4.959 ( 11.659 6.731 2.573) 13.706 5.245 ( 5.211 3.009 -0.265) 6.023 5.610 ( 3.928 2.268 -0.115) 4.537 6.928 ( 19.474 11.243 -5.137) 23.066 6.998 ( 2.841 1.640 0.506) 3.319 7.990 ( 4.405 2.543 3.051) 5.932 8.489 ( -3.252 -1.878 0.717) 3.823 14.548 ( -16.780 -9.688 0.100) 19.376 15.465 ( -27.836 -16.071 -0.266) 32.144 15.704 ( -19.106 -11.031 -1.619) 22.121 17.904 ( -1.860 -1.074 -0.099) 2.150 20.288 ( 2.522 1.456 1.741) 3.393 21.831 ( -1.191 -0.687 -3.190) 3.474 ======================= Grid point 560 (192/417) ======================= q-point: ( 0.44 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.222 ( 19.494 11.255 0.602) 22.518 3.268 ( 28.479 16.442 0.415) 32.888 4.431 ( 6.693 3.864 -0.758) 7.765 4.757 ( 18.038 10.414 -0.708) 20.841 4.875 ( -1.160 -0.670 0.503) 1.431 5.177 ( 7.472 4.314 0.361) 8.636 5.403 ( 7.486 4.322 1.550) 8.782 5.707 ( 4.338 2.505 -0.061) 5.010 6.912 ( -6.519 -3.764 1.436) 7.663 7.279 ( 3.321 1.918 -4.323) 5.779 8.003 ( 6.223 3.593 0.434) 7.199 8.719 ( 16.668 9.623 2.017) 19.352 14.165 ( -15.862 -9.158 0.134) 18.316 14.846 ( -25.173 -14.534 -0.331) 29.069 15.278 ( -17.195 -9.928 -0.583) 19.864 17.862 ( -1.634 -0.943 -0.133) 1.892 20.295 ( -1.610 -0.930 0.517) 1.930 21.687 ( -9.700 -5.600 -0.837) 11.232 ======================= Grid point 561 (193/417) ======================= q-point: ( 0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.619 ( 14.526 8.387 0.418) 16.779 3.877 ( 23.537 13.589 0.186) 27.179 4.557 ( 4.373 2.525 -0.689) 5.097 4.837 ( -2.094 -1.209 0.471) 2.464 5.084 ( 10.757 6.211 -0.029) 12.421 5.334 ( 6.351 3.667 -0.860) 7.384 5.566 ( 5.937 3.428 1.773) 7.081 5.803 ( 3.813 2.202 -0.004) 4.403 6.739 ( -8.064 -4.656 1.235) 9.393 7.070 ( -15.080 -8.706 -2.260) 17.559 8.374 ( 20.188 11.656 -0.460) 23.316 9.094 ( 13.972 8.067 1.274) 16.184 13.832 ( -12.421 -7.171 0.111) 14.343 14.316 ( -19.877 -11.476 -0.239) 22.953 14.918 ( -13.378 -7.724 -0.184) 15.448 17.829 ( -1.168 -0.675 -0.117) 1.354 20.238 ( -2.883 -1.664 0.201) 3.335 21.431 ( -11.245 -6.492 -0.260) 12.987 ======================= Grid point 562 (194/417) ======================= q-point: ( 0.56 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.887 ( 8.216 4.743 0.173) 9.489 4.329 ( 14.493 8.368 0.015) 16.735 4.632 ( 2.187 1.263 -0.573) 2.590 4.787 ( -2.049 -1.183 0.448) 2.409 5.268 ( 5.128 2.961 0.672) 5.959 5.475 ( 5.888 3.399 -1.045) 6.878 5.678 ( 3.199 1.847 1.198) 3.883 5.875 ( 2.226 1.285 0.043) 2.570 6.568 ( -6.250 -3.609 0.921) 7.276 6.719 ( -12.911 -7.454 -1.592) 14.994 8.786 ( 13.732 7.928 -0.552) 15.866 9.342 ( 6.880 3.972 0.973) 8.004 13.605 ( -6.852 -3.956 0.048) 7.912 13.949 ( -11.224 -6.480 -0.110) 12.961 14.673 ( -7.459 -4.307 -0.056) 8.613 17.809 ( -0.583 -0.337 -0.062) 0.676 20.180 ( -1.908 -1.102 0.244) 2.217 21.206 ( -7.295 -4.212 -0.238) 8.427 ======================= Grid point 563 (195/417) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.984 ( -0.170 -0.098 -0.101) 0.221 4.506 ( 0.051 0.029 -0.027) 0.064 4.658 ( 0.153 0.089 -0.441) 0.476 4.760 ( -0.063 -0.036 0.455) 0.461 5.325 ( -0.299 -0.173 0.639) 0.726 5.563 ( 0.378 0.218 -0.469) 0.640 5.710 ( -0.401 -0.231 0.546) 0.716 5.902 ( 0.011 0.006 0.075) 0.076 6.483 ( -0.369 -0.213 0.081) 0.434 6.555 ( 0.552 0.319 -0.732) 0.970 8.956 ( 0.285 0.165 -0.360) 0.488 9.418 ( -0.348 -0.201 0.714) 0.819 13.524 ( -0.028 -0.016 -0.012) 0.035 13.816 ( 0.075 0.044 0.011) 0.088 14.584 ( -0.011 -0.006 -0.045) 0.046 17.802 ( 0.029 0.017 -0.009) 0.035 20.158 ( 0.046 0.027 0.376) 0.379 21.117 ( -0.030 -0.017 -0.340) 0.342 ======================= Grid point 564 (196/417) ======================= q-point: (-0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.880 ( -8.492 -4.903 -0.291) 9.811 4.330 ( -14.585 -8.421 0.052) 16.841 4.637 ( -1.875 -1.083 -0.269) 2.182 4.785 ( 1.861 1.074 0.368) 2.180 5.257 ( -5.611 -3.239 -0.038) 6.479 5.496 ( -4.610 -2.661 0.185) 5.326 5.657 ( -4.364 -2.520 0.074) 5.040 5.876 ( -2.199 -1.269 0.095) 2.541 6.555 ( 5.747 3.318 0.072) 6.636 6.738 ( 13.842 7.992 -0.347) 15.987 8.795 ( -13.441 -7.760 -0.010) 15.520 9.330 ( -7.448 -4.300 0.280) 8.604 13.604 ( 6.815 3.935 -0.023) 7.870 13.952 ( 11.348 6.552 0.089) 13.104 14.672 ( 7.481 4.319 -0.079) 8.639 17.810 ( 0.623 0.360 0.006) 0.719 20.183 ( 1.916 1.106 0.429) 2.253 21.204 ( 7.332 4.233 -0.363) 8.474 ======================= Grid point 565 (197/417) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.606 ( -14.716 -8.496 -0.375) 16.997 3.874 ( -23.790 -13.735 -0.004) 27.471 4.568 ( -4.117 -2.377 -0.085) 4.754 4.833 ( 1.886 1.089 0.199) 2.187 5.070 ( -10.506 -6.065 -0.869) 12.162 5.377 ( -5.976 -3.450 1.670) 7.099 5.523 ( -6.749 -3.897 -0.787) 7.833 5.805 ( -3.773 -2.178 0.111) 4.358 6.717 ( 7.601 4.388 -0.094) 8.777 7.112 ( 16.688 9.635 0.344) 19.273 8.384 ( -20.478 -11.823 0.069) 23.647 9.071 ( -14.727 -8.503 -0.114) 17.006 13.831 ( 12.430 7.177 0.031) 14.353 14.322 ( 19.933 11.509 0.079) 23.017 14.919 ( 13.529 7.811 -0.124) 15.622 17.831 ( 1.166 0.673 -0.034) 1.347 20.240 ( 2.635 1.522 0.319) 3.060 21.431 ( 11.606 6.701 -0.208) 13.403 ======================= Grid point 566 (198/417) ======================= q-point: (-0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.205 ( -19.619 -11.327 -0.393) 22.658 3.258 ( -28.778 -16.615 -0.098) 33.230 4.444 ( -6.533 -3.772 0.047) 7.544 4.747 ( -17.762 -10.255 -1.338) 20.553 4.867 ( 0.998 0.576 0.042) 1.153 5.215 ( -8.810 -5.086 3.065) 10.624 5.359 ( -6.580 -3.799 -1.564) 7.758 5.710 ( -4.288 -2.476 0.130) 4.953 6.886 ( 6.469 3.735 -0.164) 7.472 7.364 ( -1.877 -1.084 0.805) 2.312 8.000 ( -5.965 -3.444 0.242) 6.892 8.672 ( -18.263 -10.544 -0.753) 21.102 14.165 ( 15.910 9.186 0.122) 18.371 14.851 ( 25.118 14.502 -0.043) 29.004 15.284 ( 17.600 10.161 -0.220) 20.324 17.863 ( 1.592 0.919 -0.110) 1.842 20.287 ( 0.838 0.484 0.026) 0.968 21.703 ( 10.847 6.262 0.123) 12.525 ======================= Grid point 567 (199/417) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( -31.700 -18.302 -0.084) 36.605 2.700 ( -23.751 -13.713 -0.360) 27.428 4.209 ( -28.782 -16.617 -1.474) 33.267 4.267 ( -8.573 -4.950 0.094) 9.900 4.879 ( 0.113 0.065 -0.057) 0.142 4.967 ( -13.124 -7.577 3.234) 15.495 5.236 ( -3.636 -2.099 -1.127) 4.347 5.614 ( -3.888 -2.245 0.148) 4.492 6.973 ( -1.182 -0.683 -0.618) 1.499 7.016 ( -20.101 -11.606 -0.255) 23.213 7.978 ( -9.346 -5.396 2.775) 11.143 8.442 ( 6.915 3.992 -2.348) 8.323 14.550 ( 16.833 9.719 0.202) 19.438 15.466 ( 27.635 15.955 -0.241) 31.911 15.721 ( 19.942 11.514 -0.570) 23.034 17.902 ( 1.810 1.045 -0.180) 2.097 20.253 ( -4.267 -2.464 -0.379) 4.942 21.889 ( 4.168 2.406 0.318) 4.823 ======================= Grid point 572 (200/417) ======================= q-point: ( 0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( -0.000 21.779 6.605) 22.759 0.737 ( -0.000 35.904 0.629) 35.909 1.226 ( -0.000 58.994 0.634) 58.997 3.705 ( 0.000 5.285 -0.423) 5.302 3.845 ( -0.000 17.122 0.633) 17.133 4.863 ( -0.000 0.130 0.325) 0.350 5.277 ( 0.000 -2.695 -5.845) 6.436 5.426 ( 0.000 1.556 -0.075) 1.558 5.572 ( 0.000 21.339 -9.694) 23.438 5.721 ( 0.000 22.883 -4.150) 23.256 7.976 ( -0.000 -9.074 13.098) 15.934 9.426 ( 0.000 -11.450 -4.074) 12.153 15.447 ( 0.000 -7.019 0.081) 7.020 16.934 ( 0.000 -7.649 -23.844) 25.040 17.542 ( -0.000 -34.711 2.801) 34.824 18.005 ( 0.000 -0.933 -0.067) 0.936 18.802 ( 0.000 74.278 -27.614) 79.245 20.336 ( 0.000 58.736 -43.642) 73.174 ======================= Grid point 573 (201/417) ======================= q-point: ( 0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 17.045 27.596 3.585) 32.634 1.369 ( 20.183 33.453 0.881) 39.080 2.035 ( 27.252 46.716 -0.154) 54.084 3.815 ( 4.186 7.877 -0.700) 8.947 4.109 ( 8.920 18.205 1.909) 20.362 4.876 ( 0.777 0.806 0.442) 1.203 5.193 ( -2.313 -3.203 -2.571) 4.714 5.493 ( 2.216 4.514 -0.278) 5.036 5.867 ( 10.199 20.737 -10.003) 25.181 6.093 ( 15.210 19.180 0.954) 24.497 7.906 ( -2.105 -5.394 10.691) 12.158 9.212 ( -7.879 -13.840 -4.717) 16.609 15.317 ( -5.509 -9.113 0.053) 10.649 16.681 ( -9.403 -15.868 -12.054) 22.034 17.019 ( -17.645 -31.861 1.499) 36.452 17.971 ( -0.841 -1.882 -0.063) 2.062 19.618 ( 23.532 25.282 4.477) 34.828 20.941 ( 16.216 44.659 -35.726) 59.446 ======================= Grid point 574 (202/417) ======================= q-point: ( 0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 26.409 26.270 1.840) 37.295 2.034 ( 16.923 33.955 0.800) 37.947 2.996 ( 35.750 31.709 -0.476) 47.789 3.990 ( 5.853 9.338 -0.770) 11.047 4.477 ( 12.884 13.531 3.270) 18.968 4.906 ( 0.361 2.921 0.584) 3.001 5.150 ( 0.508 -0.948 -1.814) 2.109 5.577 ( -0.000 8.535 -0.166) 8.537 6.261 ( 15.307 16.835 -8.673) 24.350 6.573 ( 18.077 14.606 1.656) 23.300 7.855 ( -0.677 -2.584 9.058) 9.444 8.885 ( -11.728 -14.168 -3.702) 18.761 15.077 ( -11.282 -9.327 0.051) 14.639 16.283 ( -14.448 -17.557 -4.927) 23.265 16.376 ( -21.474 -26.188 -0.509) 33.870 17.941 ( -0.194 -2.486 -0.028) 2.494 20.090 ( 9.968 12.026 6.174) 16.796 21.514 ( 15.873 19.516 -15.959) 29.791 ======================= Grid point 575 (203/417) ======================= q-point: ( 0.38 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 28.117 24.256 0.979) 37.146 2.639 ( 14.237 31.838 0.669) 34.883 3.855 ( 32.027 19.818 -0.799) 37.672 4.192 ( 6.587 9.196 -0.776) 11.338 4.793 ( 9.901 4.919 2.842) 11.415 4.963 ( 1.043 7.735 1.252) 7.905 5.189 ( 3.900 1.937 -0.989) 4.465 5.665 ( -1.055 10.910 -0.098) 10.961 6.700 ( 18.563 15.067 -6.357) 24.739 6.926 ( 8.821 3.981 0.652) 9.699 7.920 ( 6.458 2.946 6.097) 9.357 8.542 ( -9.780 -11.933 -1.571) 15.509 14.746 ( -15.653 -9.150 0.074) 18.131 15.725 ( -23.209 -21.721 -0.168) 31.788 15.857 ( -15.269 -17.350 -2.524) 23.250 17.914 ( -0.529 -1.485 -0.073) 1.578 20.286 ( 2.249 5.517 2.623) 6.510 21.771 ( 5.113 0.467 -5.205) 7.311 ======================= Grid point 576 (204/417) ======================= q-point: ( 0.44 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.968 ( 27.032 21.508 0.524) 34.548 3.167 ( 11.264 28.648 0.543) 30.788 4.373 ( 7.034 6.967 -0.724) 9.927 4.497 ( 21.568 11.175 -0.912) 24.308 4.904 ( 1.026 2.456 0.806) 2.781 5.117 ( 5.414 7.001 1.155) 8.925 5.321 ( 7.021 4.446 0.939) 8.363 5.759 ( -1.291 11.718 -0.096) 11.789 6.957 ( -2.658 -4.016 1.253) 4.976 7.147 ( 15.526 9.954 -4.782) 19.053 7.995 ( -2.483 -1.535 1.109) 3.123 8.497 ( 14.385 1.304 1.823) 14.559 14.365 ( -16.937 -9.386 0.086) 19.364 15.117 ( -23.955 -16.981 -0.348) 29.365 15.426 ( -14.393 -15.561 -0.919) 21.217 17.894 ( -1.276 0.724 -0.117) 1.472 20.315 ( -1.800 -0.145 0.830) 1.987 21.715 ( -3.725 -10.243 -1.426) 10.992 ======================= Grid point 577 (205/417) ======================= q-point: ( 0.50 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.595 ( 13.430 20.323 0.261) 24.361 3.623 ( 18.211 22.546 0.386) 28.985 4.527 ( 3.990 5.723 -0.685) 7.010 4.823 ( 5.702 0.694 0.043) 5.745 4.993 ( 6.577 8.811 0.019) 10.994 5.269 ( 5.490 4.510 -0.299) 7.111 5.492 ( 6.839 3.698 1.773) 7.974 5.852 ( -1.332 11.092 -0.098) 11.172 6.816 ( -6.654 -6.201 1.259) 9.182 7.215 ( -9.520 -5.443 -2.777) 11.312 8.139 ( 17.057 8.764 -0.086) 19.177 8.857 ( 19.481 3.045 1.438) 19.770 13.993 ( -14.433 -9.084 0.070) 17.054 14.558 ( -22.451 -13.180 -0.253) 26.035 15.054 ( -12.526 -10.943 -0.303) 16.635 17.884 ( -2.326 3.674 -0.122) 4.350 20.247 ( -2.679 -4.574 0.270) 5.308 21.482 ( -7.107 -14.458 -0.390) 16.115 ======================= Grid point 578 (206/417) ======================= q-point: ( 0.56 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.930 ( 3.287 20.818 0.180) 21.077 4.141 ( 17.696 12.638 0.091) 21.746 4.625 ( 1.760 4.275 -0.615) 4.664 4.832 ( -2.416 1.117 0.431) 2.696 5.210 ( 6.728 6.322 0.403) 9.241 5.405 ( 5.802 3.715 -0.957) 6.956 5.629 ( 4.929 2.137 1.463) 5.568 5.929 ( -1.859 9.506 -0.082) 9.686 6.636 ( -6.642 -5.897 1.065) 8.946 6.896 ( -15.604 -6.879 -1.693) 17.137 8.570 ( 19.086 7.496 -0.489) 20.511 9.175 ( 14.407 -0.540 1.046) 14.455 13.707 ( -8.927 -6.092 0.042) 10.808 14.090 ( -16.583 -11.088 -0.122) 19.949 14.781 ( -9.666 -4.372 -0.102) 10.609 17.885 ( -3.571 6.558 -0.089) 7.468 20.154 ( -0.743 -7.225 0.243) 7.267 21.221 ( -5.120 -14.009 -0.249) 14.917 ======================= Grid point 579 (207/417) ======================= q-point: ( 0.62 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.119 ( -4.103 17.107 -0.061) 17.593 4.449 ( 7.370 3.349 -0.013) 8.095 4.673 ( -0.282 3.164 -0.529) 3.220 4.803 ( -2.647 2.525 0.471) 3.689 5.328 ( 1.490 2.610 0.766) 3.101 5.536 ( 4.166 3.068 -0.700) 5.221 5.703 ( 1.552 0.296 0.851) 1.795 5.972 ( -3.125 7.690 -0.082) 8.301 6.498 ( -3.105 -3.518 0.812) 4.762 6.618 ( -8.698 -1.086 -1.405) 8.878 8.871 ( 9.485 0.564 -0.492) 9.515 9.337 ( 6.975 -4.774 0.915) 8.501 13.575 ( -3.314 0.581 0.019) 3.365 13.791 ( -4.522 -9.511 -0.026) 10.531 14.637 ( -5.218 1.706 -0.062) 5.490 17.889 ( -4.614 8.303 -0.043) 9.499 20.093 ( 2.612 -7.739 0.378) 8.177 21.054 ( 0.924 -10.591 -0.344) 10.636 ======================= Grid point 580 (208/417) ======================= q-point: (-0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.114 ( -13.118 11.863 -0.260) 17.688 4.449 ( -6.541 -4.668 0.019) 8.036 4.679 ( -2.229 2.259 -0.344) 3.193 4.800 ( -1.045 3.257 0.397) 3.444 5.323 ( -3.741 -0.124 0.579) 3.788 5.543 ( -3.553 -1.718 -0.448) 3.972 5.693 ( -2.152 -1.822 0.501) 2.864 5.974 ( -5.036 6.714 -0.026) 8.393 6.489 ( 3.830 0.543 0.360) 3.885 6.630 ( 6.466 7.529 -0.823) 9.958 8.877 ( -4.681 -7.670 -0.270) 8.990 9.330 ( -0.092 -8.815 0.648) 8.839 13.574 ( 1.107 3.229 0.012) 3.413 13.792 ( 10.654 -0.833 0.036) 10.686 14.637 ( 1.118 5.356 -0.078) 5.472 17.889 ( -4.822 8.163 -0.019) 9.481 20.095 ( 5.485 -6.054 0.473) 8.183 21.053 ( 8.663 -6.135 -0.412) 10.624 ======================= Grid point 581 (209/417) ======================= q-point: (-0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.917 ( -19.915 7.474 -0.315) 21.274 4.140 ( -20.017 -9.104 0.070) 21.990 4.637 ( -4.419 0.958 -0.186) 4.526 4.827 ( 0.176 2.385 0.234) 2.403 5.194 ( -9.181 -2.671 -0.258) 9.565 5.442 ( -4.689 -2.800 0.345) 5.472 5.593 ( -5.692 -3.808 0.171) 6.850 5.932 ( -7.342 6.541 0.037) 9.833 6.615 ( 7.841 2.485 0.205) 8.228 6.928 ( 15.138 10.682 -0.295) 18.529 8.582 ( -15.929 -12.867 -0.056) 20.477 9.155 ( -7.445 -13.044 0.305) 15.022 13.707 ( 9.655 4.847 0.043) 10.803 14.094 ( 18.065 8.747 0.036) 20.071 14.781 ( 8.709 6.198 -0.115) 10.690 17.886 ( -3.855 6.349 -0.036) 7.427 20.158 ( 6.502 -2.965 0.424) 7.159 21.219 ( 14.884 -2.514 -0.342) 15.099 ======================= Grid point 582 (210/417) ======================= q-point: (-0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.581 ( -24.571 1.228 -0.278) 24.603 3.613 ( -28.933 -7.272 0.039) 29.833 4.542 ( -6.803 -0.393 -0.094) 6.815 4.817 ( -3.345 -4.429 -0.210) 5.555 4.975 ( -10.829 -1.573 -0.673) 10.963 5.322 ( -6.605 -2.523 1.945) 7.333 5.436 ( -7.168 -4.306 -0.686) 8.390 5.855 ( -8.972 6.801 0.046) 11.258 6.787 ( 8.305 2.490 0.096) 8.671 7.286 ( 12.217 6.750 0.143) 13.959 8.141 ( -16.937 -11.021 -0.055) 20.207 8.821 ( -13.699 -15.858 0.027) 20.956 13.993 ( 15.019 8.118 0.094) 17.073 14.563 ( 22.727 12.777 -0.044) 26.072 15.057 ( 16.062 5.473 -0.189) 16.970 17.885 ( -2.025 3.807 -0.087) 4.313 20.247 ( 4.736 -0.153 0.239) 4.744 21.488 ( 16.857 -0.793 -0.150) 16.877 ======================= Grid point 583 (211/417) ======================= q-point: (-0.12 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.955 ( -32.588 -12.710 0.094) 34.979 3.148 ( -30.590 4.701 -0.199) 30.950 4.390 ( -9.555 -2.691 -0.074) 9.927 4.490 ( -20.495 -12.525 -1.286) 24.053 4.885 ( -2.510 -0.244 0.152) 2.527 5.153 ( -11.184 -1.875 3.311) 11.813 5.281 ( -5.140 -3.214 -1.544) 6.256 5.763 ( -9.471 6.961 0.053) 11.754 6.930 ( 5.275 0.586 0.064) 5.308 7.244 ( -16.384 -8.939 -0.837) 18.683 8.005 ( 3.512 1.750 1.715) 4.283 8.426 ( -9.672 -12.046 -1.041) 15.483 14.367 ( 16.586 10.063 0.154) 19.401 15.121 ( 26.575 12.143 -0.218) 29.218 15.438 ( 21.413 5.010 -0.438) 21.995 17.893 ( -0.035 1.444 -0.137) 1.451 20.296 ( -0.380 1.074 0.054) 1.141 21.747 ( 12.914 -1.283 -0.100) 12.978 ======================= Grid point 589 (212/417) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -0.000 34.724 2.433) 34.809 1.447 ( -0.000 34.296 0.552) 34.300 2.374 ( -0.000 54.492 -0.172) 54.492 3.851 ( 0.000 9.098 -0.521) 9.113 4.263 ( -0.000 22.099 2.886) 22.287 4.869 ( -0.000 0.372 0.360) 0.518 5.188 ( 0.000 -2.849 -2.396) 3.722 5.469 ( 0.000 2.728 -0.066) 2.729 5.988 ( 0.000 22.782 -11.553) 25.544 6.231 ( -0.000 28.527 2.806) 28.665 7.891 ( -0.000 -4.946 10.169) 11.308 9.111 ( 0.000 -17.204 -4.739) 17.845 15.242 ( 0.000 -13.176 0.116) 13.176 16.561 ( 0.000 -19.093 -10.097) 21.599 16.821 ( -0.000 -35.828 1.067) 35.844 17.978 ( 0.000 -1.639 -0.101) 1.642 19.679 ( -0.000 28.035 3.651) 28.272 21.218 ( 0.000 41.575 -26.139) 49.109 ======================= Grid point 590 (213/417) ======================= q-point: ( 0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 10.362 35.774 1.727) 37.285 2.026 ( 21.817 31.338 0.708) 38.191 2.982 ( 10.482 45.999 -0.636) 47.183 3.993 ( 4.682 9.932 -0.717) 11.003 4.511 ( 3.087 18.993 3.783) 19.610 4.905 ( 2.843 2.075 0.657) 3.581 5.145 ( -1.193 -0.494 -1.974) 2.359 5.581 ( 7.081 4.349 -0.117) 8.311 6.250 ( 6.396 21.740 -9.145) 24.437 6.560 ( 5.199 23.749 1.834) 24.380 7.864 ( -0.975 -1.913 9.177) 9.425 8.868 ( -5.874 -17.864 -3.995) 19.225 15.081 ( -2.717 -14.305 0.098) 14.561 16.270 ( -7.878 -21.048 -5.575) 23.155 16.368 ( -11.166 -31.726 -0.117) 33.634 17.938 ( -1.797 -1.504 -0.066) 2.344 20.042 ( 10.900 14.799 5.055) 19.062 21.550 ( 3.167 24.892 -14.863) 29.164 ======================= Grid point 591 (214/417) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 18.984 32.341 1.080) 37.516 2.717 ( 19.115 32.366 0.770) 37.597 3.626 ( 18.550 30.702 -0.924) 35.883 4.187 ( 5.696 10.269 -0.824) 11.772 4.738 ( 4.789 9.695 3.143) 11.261 5.014 ( 3.214 7.764 1.754) 8.584 5.150 ( 1.957 1.632 -1.632) 3.026 5.758 ( 4.941 8.785 -0.117) 10.080 6.597 ( 11.163 19.889 -6.660) 23.760 6.846 ( 6.072 10.246 0.659) 11.929 7.891 ( 1.950 4.138 7.157) 8.494 8.556 ( -8.450 -16.633 -2.482) 18.820 14.851 ( -8.023 -13.559 0.053) 15.755 15.817 ( -14.446 -26.116 -0.180) 29.846 15.892 ( -12.592 -21.337 -2.912) 24.946 17.904 ( -0.412 -0.946 -0.037) 1.033 20.297 ( 4.936 5.986 3.023) 8.327 21.718 ( 0.971 4.817 -6.181) 7.896 ======================= Grid point 592 (215/417) ======================= q-point: ( 0.44 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.787 ( 21.622 27.581 0.575) 35.051 3.322 ( 11.532 34.415 0.625) 36.301 4.199 ( 19.384 14.741 -0.809) 24.366 4.394 ( 6.633 11.172 -0.846) 13.020 4.886 ( 4.059 4.437 1.578) 6.217 5.139 ( 1.519 7.473 0.667) 7.655 5.257 ( 6.086 5.219 0.809) 8.058 5.915 ( 0.507 12.793 -0.201) 12.804 6.935 ( 1.444 -1.467 0.709) 2.177 6.997 ( 12.809 14.710 -4.590) 20.038 8.030 ( 1.182 5.678 3.239) 6.643 8.303 ( 1.937 -10.199 0.004) 10.381 14.521 ( -13.533 -14.418 -0.019) 19.774 15.323 ( -18.155 -16.401 -0.299) 24.468 15.456 ( -10.916 -21.459 -1.170) 24.105 17.906 ( 0.624 1.013 -0.054) 1.191 20.355 ( -1.705 0.048 1.092) 2.025 21.654 ( -3.473 -10.469 -1.946) 11.201 ======================= Grid point 593 (216/417) ======================= q-point: ( 0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.410 ( 20.870 21.587 0.251) 30.027 3.815 ( 5.599 34.110 0.418) 34.569 4.506 ( 6.474 6.175 -0.534) 8.963 4.691 ( 12.246 9.240 -0.618) 15.353 4.999 ( 3.367 6.664 0.705) 7.500 5.240 ( 3.132 5.078 -0.388) 5.979 5.423 ( 6.082 4.771 1.877) 7.955 6.030 ( -2.663 13.906 -0.324) 14.162 6.848 ( -4.397 -7.018 1.095) 8.354 7.261 ( 1.679 2.915 -3.156) 4.612 8.018 ( 3.375 4.750 0.531) 5.851 8.520 ( 19.692 -0.280 1.494) 19.751 14.119 ( -13.982 -15.856 -0.060) 21.141 14.820 ( -22.020 -13.879 -0.329) 26.031 15.122 ( -8.217 -11.576 -0.269) 14.198 17.946 ( 0.619 4.682 -0.072) 4.723 20.265 ( -5.054 -5.304 0.266) 7.331 21.413 ( -5.725 -18.861 -0.491) 19.716 ======================= Grid point 594 (217/417) ======================= q-point: ( 0.56 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.927 ( 16.860 14.968 0.078) 22.545 4.205 ( 1.866 30.112 0.163) 30.170 4.639 ( 2.821 5.561 -0.415) 6.249 4.874 ( 1.390 4.675 0.044) 4.877 5.179 ( 6.237 10.339 0.377) 12.081 5.349 ( 4.587 3.825 -0.827) 6.030 5.564 ( 5.341 2.686 1.634) 6.197 6.101 ( -4.070 12.217 -0.395) 12.883 6.681 ( -5.935 -7.498 0.934) 9.608 7.104 ( -13.998 -2.810 -1.408) 14.346 8.311 ( 17.661 7.614 -0.270) 19.234 8.852 ( 19.302 -3.925 1.019) 19.723 13.759 ( -8.979 -14.101 -0.045) 16.717 14.302 ( -20.460 -13.971 -0.115) 24.775 14.918 ( -8.743 -0.295 -0.095) 8.749 18.017 ( -0.953 9.505 -0.076) 9.553 20.101 ( -4.170 -10.137 0.149) 10.962 21.116 ( -4.021 -21.384 -0.204) 21.759 ======================= Grid point 595 (218/417) ======================= q-point: ( 0.62 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.287 ( 9.592 10.773 0.001) 14.425 4.457 ( -2.276 18.239 -0.158) 18.381 4.728 ( 0.275 7.780 -0.276) 7.790 4.893 ( -3.577 4.722 0.231) 5.929 5.337 ( 1.850 5.233 0.562) 5.578 5.497 ( 5.542 7.728 -0.728) 9.537 5.666 ( 3.575 1.020 1.096) 3.876 6.132 ( -4.458 8.996 -0.514) 10.053 6.519 ( -4.418 -5.976 0.901) 7.487 6.831 ( -14.915 2.823 -0.971) 15.211 8.656 ( 15.037 0.935 -0.434) 15.072 9.087 ( 13.979 -8.415 0.889) 16.340 13.556 ( -0.229 -9.049 -0.012) 9.052 13.859 ( -14.337 -12.145 0.009) 18.790 14.804 ( -8.574 7.431 -0.079) 11.347 18.091 ( -4.373 13.701 -0.076) 14.382 19.947 ( 0.761 -13.284 0.318) 13.309 20.878 ( 1.341 -19.654 -0.292) 19.702 ======================= Grid point 596 (219/417) ======================= q-point: (-0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.471 ( -4.871 0.653 -0.100) 4.915 4.476 ( -3.341 13.253 -0.256) 13.670 4.790 ( -5.288 10.221 -0.312) 11.512 4.873 ( -2.691 3.840 0.370) 4.704 5.377 ( -0.984 1.920 0.517) 2.218 5.607 ( -2.991 5.206 -0.260) 6.009 5.698 ( -0.068 -1.143 0.627) 1.305 6.136 ( -3.863 7.418 -0.640) 8.388 6.440 ( 0.821 -2.507 0.856) 2.773 6.706 ( -5.866 11.223 -0.811) 12.689 8.801 ( 4.528 -7.203 -0.422) 8.518 9.164 ( 6.779 -12.614 0.823) 14.344 13.572 ( 6.109 -9.725 0.006) 11.484 13.603 ( -0.219 -0.327 0.065) 0.399 14.767 ( -6.523 11.255 -0.095) 13.009 18.124 ( -8.264 14.343 -0.076) 16.553 19.885 ( 7.289 -12.384 0.480) 14.378 20.787 ( 8.917 -15.589 -0.404) 17.963 ======================= Grid point 597 (220/417) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.282 ( -14.338 -2.442 -0.128) 14.545 4.453 ( -14.858 10.529 -0.240) 18.212 4.742 ( -6.480 3.791 0.022) 7.508 4.886 ( -2.444 5.366 0.058) 5.897 5.337 ( -6.767 1.633 0.598) 6.987 5.506 ( -7.507 -1.273 -0.689) 7.645 5.643 ( -3.888 -3.193 0.653) 5.073 6.140 ( -5.563 8.909 -0.337) 10.508 6.503 ( 6.645 0.517 0.539) 6.687 6.850 ( 6.298 14.452 -0.488) 15.773 8.664 ( -7.981 -12.592 -0.256) 14.910 9.074 ( -0.404 -16.546 0.602) 16.561 13.558 ( 7.938 -4.218 0.059) 8.989 13.860 ( 17.838 6.318 0.021) 18.924 14.803 ( -2.150 11.123 -0.105) 11.329 18.091 ( -9.619 10.587 -0.069) 14.304 19.953 ( 11.152 -7.148 0.468) 13.254 20.875 ( 16.366 -11.051 -0.389) 19.752 ======================= Grid point 598 (221/417) ======================= q-point: (-0.19 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.922 ( -21.532 -6.985 -0.012) 22.636 4.193 ( -27.287 13.262 -0.148) 30.340 4.657 ( -6.131 0.477 0.009) 6.150 4.866 ( -4.612 1.326 -0.162) 4.801 5.161 ( -12.692 -0.303 -0.086) 12.696 5.391 ( -3.992 -2.253 -0.120) 4.586 5.517 ( -6.497 -3.483 0.781) 7.413 6.110 ( -8.778 10.063 -0.192) 13.355 6.654 ( 8.884 1.219 0.344) 8.974 7.150 ( 11.601 11.137 -0.256) 16.084 8.317 ( -15.690 -12.011 -0.166) 19.761 8.827 ( -7.192 -18.875 0.440) 20.204 13.762 ( 16.666 0.829 0.044) 16.686 14.305 ( 22.500 10.758 -0.034) 24.940 14.917 ( 4.759 7.402 -0.113) 8.800 18.017 ( -7.713 5.519 -0.068) 9.484 20.106 ( 10.544 -1.447 0.296) 10.647 21.114 ( 20.924 -7.149 -0.252) 22.113 ======================= Grid point 599 (222/417) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.402 ( -29.468 -7.265 0.132) 30.351 3.799 ( -32.531 12.358 0.008) 34.799 4.524 ( -8.573 -2.690 -0.117) 8.986 4.690 ( -13.892 -5.332 -0.750) 14.899 4.974 ( -7.635 0.308 0.154) 7.643 5.299 ( -5.283 -0.578 0.888) 5.388 5.357 ( -8.133 -2.993 0.332) 8.672 6.037 ( -10.949 9.468 -0.172) 14.476 6.817 ( 8.101 0.502 0.380) 8.126 7.352 ( -1.130 -0.245 -0.956) 1.501 8.011 ( -5.426 -0.465 0.384) 5.460 8.472 ( -11.598 -17.569 0.390) 21.056 14.122 ( 20.668 4.236 0.029) 21.098 14.825 ( 23.017 12.281 -0.192) 26.089 15.126 ( 14.695 1.278 -0.185) 14.752 17.946 ( -4.366 1.786 -0.074) 4.718 20.261 ( 6.285 1.596 0.166) 6.486 21.424 ( 20.334 -4.324 -0.216) 20.790 ======================= Grid point 606 (223/417) ======================= q-point: ( 0.31 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -0.000 37.463 1.163) 37.481 2.111 ( -0.000 31.356 0.660) 31.363 3.385 ( -0.000 45.594 -0.553) 45.597 4.050 ( 0.000 10.636 -0.664) 10.656 4.709 ( -0.000 19.859 4.352) 20.330 4.880 ( -0.000 0.426 0.446) 0.616 5.156 ( 0.000 0.584 -1.902) 1.990 5.533 ( 0.000 3.646 -0.089) 3.647 6.413 ( 0.000 24.473 -8.094) 25.776 6.773 ( -0.000 21.013 1.084) 21.040 7.897 ( -0.000 3.242 8.556) 9.150 8.722 ( 0.000 -19.053 -3.433) 19.360 14.931 ( 0.000 -17.550 0.119) 17.550 16.097 ( 0.000 -27.901 -2.339) 27.999 16.149 ( 0.000 -27.047 -1.992) 27.120 17.940 ( 0.000 -2.044 -0.109) 2.047 20.097 ( -0.000 13.157 3.797) 13.694 21.730 ( 0.000 17.035 -9.853) 19.680 ======================= Grid point 607 (224/417) ======================= q-point: ( 0.38 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 7.341 36.479 0.913) 37.222 2.628 ( 20.982 28.115 0.672) 35.088 3.826 ( 2.104 37.307 -0.664) 37.372 4.196 ( 4.295 10.230 -0.765) 11.121 4.824 ( -2.148 7.968 2.217) 8.545 5.008 ( 6.694 9.556 2.618) 11.958 5.158 ( -0.518 2.712 -1.718) 3.252 5.669 ( 9.753 4.501 -0.102) 10.742 6.681 ( 3.709 24.475 -6.294) 25.542 6.926 ( -0.871 9.752 0.615) 9.810 7.970 ( -0.888 9.564 6.472) 11.582 8.491 ( -4.430 -16.844 -2.086) 17.542 14.752 ( -0.256 -18.123 0.076) 18.125 15.714 ( -7.080 -30.591 -0.370) 31.402 15.846 ( -7.073 -21.694 -2.319) 22.936 17.910 ( -0.850 -1.207 -0.074) 1.478 20.261 ( 5.063 5.716 2.511) 8.038 21.794 ( -3.770 4.313 -5.077) 7.655 ======================= Grid point 608 (225/417) ======================= q-point: ( 0.44 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( 13.315 32.454 0.566) 35.084 3.317 ( 24.565 26.948 0.680) 36.470 4.190 ( 3.902 24.502 -0.644) 24.819 4.391 ( 6.257 10.806 -0.789) 12.511 4.887 ( 1.854 5.113 1.447) 5.628 5.191 ( 0.327 4.676 -1.202) 4.839 5.222 ( 5.718 9.044 2.561) 11.002 5.915 ( 10.700 6.803 -0.216) 12.681 6.924 ( -0.513 1.548 0.184) 1.641 7.007 ( 4.525 18.181 -4.024) 19.163 8.085 ( 3.048 6.896 3.142) 8.168 8.249 ( -8.023 -6.850 0.055) 10.550 14.523 ( -5.931 -18.882 -0.045) 19.791 15.318 ( -4.907 -23.874 -0.285) 24.375 15.455 ( -12.987 -20.145 -1.110) 23.994 17.905 ( 0.705 1.012 -0.035) 1.234 20.351 ( 1.602 -1.353 1.135) 2.385 21.659 ( -8.269 -8.179 -2.000) 11.802 ======================= Grid point 609 (226/417) ======================= q-point: ( 0.50 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.334 ( 15.147 26.122 0.260) 30.197 3.977 ( 17.219 29.272 0.574) 33.965 4.443 ( 5.607 10.154 -0.528) 11.611 4.633 ( 7.798 12.765 -0.654) 14.973 5.000 ( 4.197 6.669 1.032) 7.948 5.250 ( 1.392 4.368 -1.088) 4.712 5.394 ( 4.329 6.700 2.230) 8.282 6.138 ( 5.148 8.893 -0.485) 10.287 6.845 ( -3.434 -6.711 1.042) 7.610 7.251 ( 4.488 9.658 -3.356) 11.166 8.081 ( -1.811 -1.184 0.379) 2.197 8.273 ( 6.254 8.097 1.964) 10.418 14.160 ( -11.833 -20.346 -0.138) 23.537 14.967 ( -13.882 -24.169 -0.551) 27.878 15.120 ( -3.876 -6.753 -0.019) 7.786 17.960 ( 2.613 4.435 -0.020) 5.148 20.292 ( -3.765 -6.518 0.250) 7.531 21.356 ( -10.323 -17.727 -0.547) 20.520 ======================= Grid point 610 (227/417) ======================= q-point: ( 0.56 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.820 ( 14.249 18.887 0.088) 23.659 4.456 ( 4.061 26.457 0.167) 26.768 4.614 ( 6.513 5.128 -0.151) 8.291 4.879 ( 5.995 9.856 -0.378) 11.542 5.194 ( 6.797 13.581 0.647) 15.201 5.320 ( 2.725 3.360 -0.936) 4.426 5.520 ( 3.646 3.946 1.681) 5.629 6.256 ( -0.929 7.576 -0.690) 7.664 6.696 ( -4.809 -8.236 0.764) 9.567 7.288 ( -5.835 2.596 -1.325) 6.522 8.175 ( 6.658 9.471 0.100) 11.577 8.494 ( 14.898 -2.659 0.978) 15.165 13.760 ( -10.399 -18.301 -0.113) 21.049 14.456 ( -17.078 -21.700 -0.170) 27.615 15.052 ( -3.314 3.244 -0.017) 4.638 18.085 ( 3.733 9.157 -0.016) 9.889 20.105 ( -7.335 -10.435 -0.041) 12.755 20.978 ( -8.082 -23.523 -0.094) 24.873 ======================= Grid point 611 (228/417) ======================= q-point: ( 0.62 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.200 ( 11.247 12.097 0.018) 16.517 4.631 ( -0.925 7.625 -0.407) 7.692 4.805 ( 3.420 12.257 0.394) 12.731 5.013 ( -0.914 8.889 -0.176) 8.938 5.360 ( 1.408 3.408 -0.141) 3.690 5.532 ( 6.116 20.249 -0.292) 21.155 5.615 ( 3.998 2.301 1.223) 4.772 6.268 ( -3.376 3.692 -0.765) 5.061 6.532 ( -4.602 -7.391 0.603) 8.728 7.162 ( -13.991 9.823 -0.321) 17.098 8.418 ( 12.110 2.689 -0.297) 12.408 8.715 ( 16.730 -9.813 0.755) 19.410 13.468 ( -3.831 -13.575 -0.054) 14.106 13.967 ( -14.906 -18.551 0.004) 23.798 15.046 ( -6.269 11.389 -0.047) 13.000 18.262 ( 2.182 14.878 -0.041) 15.037 19.853 ( -6.537 -14.060 0.107) 15.506 20.641 ( -1.511 -25.276 -0.147) 25.322 ======================= Grid point 612 (229/417) ======================= q-point: ( 0.69 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.442 ( 5.523 5.741 0.013) 7.966 4.639 ( -3.010 2.619 -0.391) 4.009 4.938 ( 0.142 7.209 0.297) 7.216 5.046 ( -5.730 10.303 -0.040) 11.789 5.398 ( 0.296 1.643 -0.201) 1.681 5.666 ( 2.156 -0.154 0.566) 2.234 5.806 ( -3.500 21.595 0.190) 21.877 6.235 ( -2.630 1.991 -0.954) 3.434 6.413 ( -1.567 -4.605 0.697) 4.914 7.042 ( -14.305 17.456 -0.156) 22.569 8.596 ( 9.689 -6.726 -0.395) 11.801 8.854 ( 12.595 -14.737 0.743) 19.400 13.369 ( 4.850 -8.701 -0.020) 9.962 13.609 ( -6.695 -12.174 0.083) 13.893 15.053 ( -8.800 15.733 -0.077) 18.027 18.420 ( -4.998 18.713 -0.118) 19.369 19.646 ( 1.888 -15.834 0.412) 15.952 20.444 ( 7.345 -23.048 -0.328) 24.192 ======================= Grid point 613 (230/417) ======================= q-point: (-0.25 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.441 ( -7.817 -1.906 -0.011) 8.046 4.641 ( -0.695 4.118 -0.365) 4.192 4.936 ( -6.195 3.023 0.276) 6.898 5.046 ( -6.284 10.330 -0.045) 12.091 5.405 ( -0.856 0.837 -0.129) 1.204 5.661 ( -1.261 -2.627 0.559) 2.967 5.796 ( -18.021 13.848 0.014) 22.727 6.245 ( 0.405 4.012 -0.912) 4.134 6.406 ( 3.984 -1.306 0.719) 4.254 7.045 ( -7.453 21.104 -0.120) 22.382 8.598 ( 1.349 -11.828 -0.385) 11.910 8.850 ( 5.821 -18.412 0.703) 19.323 13.372 ( 5.250 -8.492 0.010) 9.984 13.608 ( 13.883 -0.309 0.070) 13.887 15.052 ( -9.264 15.482 -0.084) 18.042 18.419 ( -13.702 13.565 -0.131) 19.282 19.652 ( 13.021 -9.217 0.481) 15.960 20.441 ( 16.137 -18.051 -0.370) 24.215 ======================= Grid point 614 (231/417) ======================= q-point: (-0.19 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.198 ( -16.159 -3.640 -0.001) 16.564 4.629 ( -7.026 5.225 -0.421) 8.766 4.808 ( -11.090 2.189 0.431) 11.312 5.010 ( -7.512 5.696 -0.234) 9.430 5.381 ( -3.500 1.223 0.110) 3.709 5.520 ( -20.570 3.478 -0.456) 20.867 5.587 ( -4.838 -1.925 0.889) 5.282 6.289 ( -1.502 5.366 -0.652) 5.610 6.513 ( 8.040 0.183 0.566) 8.062 7.180 ( -0.106 16.879 -0.139) 16.880 8.421 ( -8.258 -9.633 -0.305) 12.692 8.701 ( -0.629 -19.360 0.625) 19.381 13.472 ( 13.719 -3.475 -0.006) 14.152 13.968 ( 23.673 3.645 0.012) 23.952 15.045 ( -6.746 11.151 -0.062) 13.032 18.261 ( -13.885 5.483 -0.057) 14.928 19.863 ( 15.308 -1.227 0.238) 15.359 20.635 ( 22.781 -11.390 -0.224) 25.470 ======================= Grid point 615 (232/417) ======================= q-point: (-0.12 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.817 ( -23.656 -2.858 0.081) 23.828 4.442 ( -24.946 9.631 -0.022) 26.741 4.631 ( -7.654 -3.282 0.042) 8.328 4.882 ( -11.245 0.528 -0.419) 11.266 5.175 ( -16.065 0.948 0.403) 16.098 5.352 ( -2.807 -1.185 -0.892) 3.175 5.475 ( -6.633 -1.134 1.496) 6.893 6.274 ( -6.527 4.937 -0.558) 8.203 6.670 ( 9.110 0.283 0.644) 9.137 7.336 ( 3.266 5.852 -0.821) 6.752 8.169 ( -11.964 -1.332 -0.002) 12.038 8.467 ( -6.285 -14.242 0.722) 15.584 13.764 ( 21.074 -0.191 -0.063) 21.075 14.461 ( 27.611 3.985 -0.118) 27.898 15.051 ( -1.117 4.531 -0.028) 4.666 18.084 ( -9.747 1.354 -0.023) 9.841 20.111 ( 12.277 0.982 0.026) 12.316 20.978 ( 24.901 -4.636 -0.104) 25.329 ======================= Grid point 623 (233/417) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( -0.000 36.273 0.651) 36.279 2.706 ( -0.000 27.403 0.732) 27.413 4.177 ( -0.000 33.084 -0.457) 33.087 4.256 ( 0.000 9.800 -0.765) 9.830 4.887 ( -0.000 -0.020 0.512) 0.512 5.075 ( -0.000 14.160 3.205) 14.518 5.198 ( 0.000 4.693 -0.941) 4.787 5.615 ( 0.000 4.493 -0.113) 4.494 6.894 ( 0.000 23.171 -4.831) 23.669 7.004 ( -0.000 4.355 0.221) 4.361 8.083 ( -0.000 4.147 3.083) 5.167 8.407 ( -0.000 -3.172 0.509) 3.212 14.555 ( 0.000 -19.450 0.101) 19.450 15.457 ( 0.000 -31.807 -0.317) 31.808 15.686 ( 0.000 -21.456 -1.565) 21.513 17.898 ( 0.000 -2.084 -0.099) 2.086 20.274 ( -0.000 3.988 1.700) 4.335 21.843 ( 0.000 -1.788 -3.140) 3.613 ======================= Grid point 624 (234/417) ======================= q-point: ( 0.44 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.966 ( 5.281 34.246 0.492) 34.654 3.156 ( 19.447 24.066 0.671) 30.948 4.376 ( 2.452 9.657 -0.743) 9.991 4.464 ( -0.303 24.349 -0.293) 24.353 4.901 ( 1.571 1.683 0.765) 2.426 5.207 ( 1.564 5.835 -1.286) 6.176 5.279 ( 1.277 10.503 2.768) 10.937 5.761 ( 10.572 4.686 -0.134) 11.565 6.948 ( -2.035 -3.684 1.035) 4.334 7.154 ( 0.635 19.379 -4.568) 19.921 8.039 ( -0.315 -7.741 0.281) 7.752 8.453 ( -5.504 17.085 2.614) 18.139 14.370 ( 0.250 -19.437 0.030) 19.439 15.112 ( -2.766 -28.952 -0.301) 29.086 15.418 ( -6.057 -20.036 -0.798) 20.947 17.890 ( 1.360 -0.691 -0.070) 1.527 20.311 ( 0.997 -0.956 0.868) 1.631 21.721 ( -7.357 -8.878 -1.493) 11.626 ======================= Grid point 625 (235/417) ======================= q-point: ( 0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.409 ( 8.350 28.852 0.249) 30.037 3.808 ( 27.014 21.791 0.576) 34.712 4.511 ( 2.155 8.829 -0.654) 9.111 4.675 ( 2.316 15.524 -0.146) 15.696 4.992 ( 4.433 5.807 0.886) 7.360 5.272 ( 0.827 4.539 -1.588) 4.879 5.417 ( 2.177 8.313 2.414) 8.927 6.028 ( 13.222 4.616 -0.308) 14.008 6.842 ( -3.600 -7.183 1.142) 8.116 7.277 ( 0.933 3.373 -3.518) 4.963 8.024 ( 2.297 3.783 0.384) 4.442 8.509 ( -9.505 18.118 1.807) 20.539 14.121 ( -6.860 -20.042 -0.114) 21.184 14.817 ( -0.988 -25.832 -0.275) 25.853 15.120 ( -5.762 -12.934 -0.195) 14.160 17.944 ( 3.822 2.880 -0.028) 4.785 20.268 ( -2.042 -6.681 0.209) 6.989 21.413 ( -13.618 -14.689 -0.478) 20.036 ======================= Grid point 626 (236/417) ======================= q-point: ( 0.56 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.820 ( 9.281 21.757 0.097) 23.654 4.448 ( 20.646 16.047 0.456) 26.153 4.624 ( 1.371 8.959 -0.510) 9.078 4.873 ( 5.966 9.996 -0.103) 11.641 5.193 ( 8.958 13.100 0.698) 15.886 5.321 ( 0.619 3.393 -0.994) 3.590 5.524 ( 1.711 5.319 1.495) 5.784 6.254 ( 7.012 2.926 -0.623) 7.623 6.694 ( -4.426 -8.268 0.814) 9.414 7.296 ( 4.337 -3.588 -1.618) 5.857 8.173 ( 4.904 10.238 0.205) 11.353 8.495 ( -9.479 11.864 0.936) 15.215 13.761 ( -10.737 -18.114 -0.142) 21.058 14.456 ( -10.248 -25.592 -0.160) 27.568 15.051 ( 4.557 -1.300 0.025) 4.739 18.084 ( 6.119 7.776 0.012) 9.895 20.108 ( -5.590 -11.305 -0.167) 12.613 20.976 ( -16.198 -18.972 0.003) 24.946 ======================= Grid point 627 (237/417) ======================= q-point: ( 0.62 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.161 ( 8.591 14.841 0.029) 17.148 4.668 ( 1.589 2.317 -0.257) 2.821 4.840 ( 5.912 10.729 0.329) 12.254 5.065 ( 4.575 7.651 -0.112) 8.915 5.361 ( 1.133 2.309 -0.533) 2.627 5.592 ( 1.346 2.632 0.981) 3.115 5.606 ( 14.575 24.664 0.186) 28.650 6.314 ( -0.368 -0.748 -0.696) 1.086 6.535 ( -4.458 -7.745 0.429) 8.946 7.378 ( 3.014 5.694 -0.335) 6.451 8.350 ( 4.379 6.399 0.004) 7.754 8.444 ( -1.341 -1.201 0.491) 1.866 13.432 ( -7.745 -13.340 -0.092) 15.425 14.002 ( -12.899 -22.315 -0.017) 25.775 15.171 ( 4.223 7.229 0.006) 8.373 18.312 ( 7.779 13.375 0.038) 15.472 19.860 ( -8.095 -13.496 -0.238) 15.739 20.503 ( -12.934 -22.813 0.111) 26.225 ======================= Grid point 628 (238/417) ======================= q-point: ( 0.69 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.411 ( 6.229 8.937 0.013) 10.893 4.683 ( -1.029 0.100 -0.245) 1.062 4.989 ( 2.060 6.453 0.263) 6.779 5.160 ( -0.113 3.997 0.028) 3.998 5.411 ( 1.159 3.385 -0.368) 3.596 5.627 ( 1.406 -0.386 0.536) 1.553 6.076 ( 5.545 28.225 0.012) 28.765 6.273 ( -1.691 -1.479 -0.564) 2.316 6.403 ( -2.655 -5.115 0.302) 5.771 7.454 ( -8.390 17.159 0.082) 19.100 8.394 ( 3.679 -5.885 -0.299) 6.947 8.490 ( 10.466 -11.292 0.525) 15.405 13.249 ( -0.788 -7.544 -0.044) 7.586 13.600 ( -9.413 -16.975 0.056) 19.410 15.304 ( -1.312 12.748 -0.029) 12.816 18.608 ( 6.280 19.395 -0.018) 20.386 19.568 ( -9.266 -13.288 0.073) 16.200 20.118 ( -1.360 -26.203 -0.101) 26.238 ======================= Grid point 629 (239/417) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.528 ( -1.757 2.822 0.050) 3.325 4.658 ( 0.165 0.204 -0.272) 0.378 5.041 ( -2.634 3.914 0.150) 4.720 5.173 ( -0.907 1.934 0.195) 2.145 5.444 ( -1.772 3.462 -0.351) 3.905 5.635 ( 1.115 -2.656 0.360) 2.903 6.245 ( -2.130 2.367 -0.535) 3.229 6.270 ( -6.362 12.971 0.085) 14.447 6.368 ( -3.136 5.038 0.209) 5.937 7.454 ( -12.466 21.539 0.134) 24.886 8.400 ( 6.378 -11.519 -0.347) 13.171 8.526 ( 9.927 -17.070 0.529) 19.754 13.231 ( 2.899 -4.703 -0.048) 5.525 13.401 ( 4.378 -7.840 0.099) 8.980 15.360 ( -7.451 12.891 -0.043) 14.889 18.811 ( -11.079 18.664 -0.217) 21.705 19.373 ( 5.955 -9.189 0.493) 10.960 19.968 ( 13.296 -23.521 -0.305) 27.021 ======================= Grid point 630 (240/417) ======================= q-point: (-0.19 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.410 ( -10.843 -0.898 0.012) 10.880 4.689 ( 0.564 1.140 -0.250) 1.296 4.981 ( -6.767 1.195 0.268) 6.877 5.164 ( -3.550 2.158 0.022) 4.154 5.421 ( -2.728 0.914 -0.423) 2.908 5.612 ( -1.281 -1.957 0.614) 2.419 6.069 ( -27.210 9.598 -0.045) 28.853 6.293 ( 2.550 1.082 -0.696) 2.856 6.392 ( 5.139 -0.379 0.485) 5.176 7.456 ( -10.280 15.695 0.078) 18.762 8.384 ( 3.614 -7.322 -0.262) 8.170 8.493 ( 3.790 -13.780 0.485) 14.300 13.252 ( 6.984 -3.105 -0.044) 7.644 13.599 ( 19.475 -0.366 0.056) 19.478 15.304 ( -10.410 7.551 -0.028) 12.860 18.605 ( -19.792 4.230 -0.018) 20.239 19.582 ( 16.090 1.543 0.078) 16.164 20.110 ( 23.367 -12.034 -0.106) 26.284 ======================= Grid point 631 (241/417) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.160 ( -17.206 0.018 0.038) 17.206 4.678 ( -2.650 0.248 -0.299) 2.678 4.829 ( -12.318 -0.272 0.361) 12.327 5.069 ( -8.668 0.138 -0.139) 8.670 5.382 ( -2.051 -0.252 -0.785) 2.211 5.547 ( -8.740 0.224 1.530) 8.875 5.608 ( -24.242 -0.008 -0.124) 24.242 6.339 ( 0.877 0.061 -0.887) 1.249 6.517 ( 8.539 0.005 0.694) 8.567 7.389 ( -5.281 -0.240 -0.367) 5.299 8.352 ( -7.961 0.745 -0.087) 7.996 8.427 ( 1.260 -0.709 0.583) 1.559 13.435 ( 15.470 -0.037 -0.091) 15.470 14.003 ( 25.951 -0.014 -0.017) 25.951 15.171 ( -8.392 0.043 0.007) 8.392 18.311 ( -15.397 0.049 0.037) 15.397 19.868 ( 15.568 -0.265 -0.238) 15.572 20.499 ( 26.382 0.208 0.112) 26.384 ======================= Grid point 640 (242/417) ======================= q-point: ( 0.44 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.213 ( -0.000 22.586 0.704) 22.597 3.266 ( -0.000 33.017 0.359) 33.019 4.428 ( 0.000 7.449 -0.702) 7.482 4.716 ( -0.000 21.261 0.067) 21.261 4.879 ( -0.000 -1.044 0.435) 1.131 5.253 ( 0.000 5.852 -1.686) 6.090 5.383 ( -0.000 10.514 2.798) 10.880 5.711 ( 0.000 4.974 -0.106) 4.976 6.912 ( -0.000 -7.138 1.269) 7.250 7.278 ( 0.000 4.522 -4.261) 6.213 8.014 ( -0.000 4.876 0.296) 4.885 8.710 ( -0.000 21.014 2.166) 21.126 14.169 ( 0.000 -18.441 0.077) 18.441 14.842 ( 0.000 -28.831 -0.292) 28.832 15.267 ( 0.000 -19.518 -0.452) 19.524 17.858 ( 0.000 -1.785 -0.081) 1.787 20.299 ( -0.000 -1.350 0.471) 1.430 21.685 ( 0.000 -11.621 -0.823) 11.650 ======================= Grid point 641 (243/417) ======================= q-point: ( 0.50 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.587 ( 12.351 21.009 0.482) 24.376 3.622 ( 9.072 27.961 0.332) 29.397 4.524 ( 3.168 6.091 -0.606) 6.892 4.816 ( -2.614 7.131 0.212) 7.598 4.975 ( 4.897 9.091 0.576) 10.342 5.309 ( 0.241 5.369 -1.687) 5.633 5.489 ( 0.315 8.672 2.175) 8.946 5.853 ( 10.051 4.366 -0.136) 10.959 6.817 ( -2.075 -8.445 1.139) 8.770 7.220 ( 0.107 -11.770 -2.866) 12.114 8.138 ( -0.959 18.879 -0.035) 18.904 8.858 ( -6.981 19.191 1.417) 20.470 13.996 ( -0.679 -17.126 -0.002) 17.139 14.557 ( -0.234 -25.877 -0.220) 25.879 15.048 ( -3.110 -16.186 -0.157) 16.483 17.882 ( 4.372 -0.109 -0.056) 4.373 20.255 ( -2.655 -4.229 0.088) 4.994 21.477 ( -8.991 -13.764 -0.276) 16.443 ======================= Grid point 642 (244/417) ======================= q-point: ( 0.56 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.925 ( 4.663 22.002 0.127) 22.491 4.199 ( 24.933 16.627 0.407) 29.971 4.643 ( 3.919 5.205 -0.564) 6.540 4.869 ( 2.950 3.893 0.267) 4.892 5.174 ( 6.604 11.375 0.594) 13.166 5.357 ( -0.107 4.626 -1.123) 4.762 5.572 ( 0.028 6.281 1.299) 6.414 6.098 ( 12.380 2.471 -0.281) 12.628 6.683 ( -3.546 -8.460 0.809) 9.208 7.107 ( 4.750 -14.251 -1.501) 15.096 8.309 ( -2.340 19.049 -0.161) 19.193 8.858 ( -12.964 15.190 0.780) 19.985 13.760 ( -7.766 -14.822 -0.115) 16.734 14.302 ( -1.869 -24.629 -0.106) 24.701 14.915 ( 4.188 -7.721 0.023) 8.784 18.015 ( 8.719 3.926 -0.010) 9.562 20.109 ( -6.795 -8.397 -0.191) 10.804 21.109 ( -16.454 -14.433 0.061) 21.888 ======================= Grid point 643 (245/417) ======================= q-point: ( 0.62 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.199 ( 4.891 15.767 0.055) 16.508 4.622 ( 7.451 3.209 0.124) 8.114 4.814 ( 8.547 8.797 -0.178) 12.267 5.008 ( 8.366 3.804 0.142) 9.192 5.366 ( 1.219 2.299 -0.597) 2.670 5.525 ( 15.631 16.537 0.321) 22.758 5.622 ( -0.427 4.125 0.725) 4.209 6.263 ( 4.894 -1.354 -0.408) 5.094 6.535 ( -4.161 -7.358 0.373) 8.461 7.165 ( 15.606 -7.433 -0.465) 17.292 8.414 ( -3.907 11.725 -0.008) 12.358 8.723 ( -16.796 9.876 0.272) 19.486 13.469 ( -9.896 -10.087 -0.114) 14.131 13.967 ( -8.615 -22.148 -0.023) 23.764 15.044 ( 13.063 0.238 0.050) 13.066 18.261 ( 11.811 9.260 0.052) 15.008 19.860 ( -9.080 -12.426 -0.354) 15.394 20.635 ( -21.003 -14.141 0.223) 25.321 ======================= Grid point 644 (246/417) ======================= q-point: ( 0.69 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.411 ( 4.651 9.864 0.031) 10.906 4.681 ( 0.758 -0.912 -0.057) 1.188 4.991 ( 4.434 4.999 0.135) 6.684 5.162 ( 3.519 2.096 -0.104) 4.097 5.409 ( 2.410 2.491 -0.100) 3.468 5.631 ( -1.297 1.115 0.176) 1.720 6.074 ( 21.748 18.793 0.247) 28.744 6.270 ( -0.120 -2.271 -0.315) 2.296 6.405 ( -3.266 -4.724 0.096) 5.744 7.456 ( 18.998 1.351 -0.077) 19.046 8.387 ( -7.002 0.283 0.357) 7.017 8.499 ( -15.068 3.455 -0.243) 15.461 13.250 ( -6.179 -4.455 -0.066) 7.618 13.601 ( -10.014 -16.609 0.018) 19.395 15.304 ( 11.747 5.218 0.021) 12.854 18.607 ( 13.738 15.001 0.117) 20.341 19.574 ( -7.177 -14.339 -0.410) 16.040 20.114 ( -21.792 -14.482 0.258) 26.167 ======================= Grid point 645 (247/417) ======================= q-point: ( 0.75 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.559 ( 3.201 5.595 0.032) 6.446 4.654 ( -1.419 -2.632 -0.073) 2.991 5.095 ( 2.298 4.035 0.090) 4.644 5.172 ( -1.075 -1.715 -0.042) 2.025 5.496 ( 2.557 4.143 -0.072) 4.869 5.598 ( -1.555 -2.408 0.107) 2.868 6.245 ( -0.151 -0.639 -0.119) 0.668 6.307 ( -1.211 -1.857 0.071) 2.218 6.565 ( 8.335 14.369 -0.022) 16.611 7.760 ( 5.765 10.238 0.050) 11.750 8.225 ( -2.739 -5.329 0.099) 5.992 8.304 ( -5.139 -8.333 -0.068) 9.791 13.182 ( 0.520 0.864 -0.034) 1.009 13.320 ( -5.812 -9.996 0.036) 11.563 15.501 ( 3.235 5.578 -0.003) 6.448 19.027 ( 12.513 21.267 0.086) 24.675 19.352 ( -5.459 -8.457 -0.177) 10.067 19.622 ( -11.655 -20.797 0.080) 23.840 ======================= Grid point 646 (248/417) ======================= q-point: (-0.19 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.556 ( -6.347 -0.042 0.052) 6.347 4.659 ( 3.127 0.158 -0.127) 3.133 5.089 ( -4.920 -0.054 0.162) 4.923 5.175 ( 2.044 -0.141 -0.078) 2.050 5.501 ( -4.700 0.301 -0.165) 4.712 5.589 ( 2.419 -0.296 0.237) 2.449 6.255 ( 1.438 0.472 -0.325) 1.548 6.300 ( 1.670 -0.344 0.236) 1.721 6.566 ( -16.546 0.063 -0.041) 16.546 7.756 ( -11.781 -0.233 0.094) 11.783 8.219 ( 5.448 0.465 0.155) 5.470 8.309 ( 9.960 -0.451 -0.101) 9.971 13.184 ( -1.002 0.036 -0.065) 1.005 13.318 ( 11.570 -0.067 0.069) 11.570 15.501 ( -6.439 0.023 -0.006) 6.439 19.021 ( -24.453 0.351 0.148) 24.456 19.365 ( 10.010 -0.934 -0.323) 10.059 19.616 ( 23.732 0.598 0.156) 23.740 ======================= Grid point 647 (249/417) ======================= q-point: (-0.12 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.410 ( -10.830 0.926 0.037) 10.870 4.690 ( 0.566 -0.910 -0.167) 1.085 4.981 ( -6.823 -1.358 0.257) 6.962 5.161 ( -3.340 -2.253 -0.107) 4.030 5.423 ( -3.037 -0.701 -0.320) 3.133 5.610 ( -1.153 1.574 0.502) 2.015 6.073 ( -27.285 -9.408 0.200) 28.862 6.293 ( 2.556 -0.603 -0.706) 2.720 6.391 ( 5.292 0.031 0.424) 5.309 7.453 ( -10.340 -15.792 -0.055) 18.876 8.394 ( 3.657 7.188 0.315) 8.071 8.483 ( 3.820 13.713 -0.102) 14.236 13.252 ( 6.953 3.066 -0.090) 7.600 13.598 ( 19.481 0.326 0.043) 19.484 15.305 ( -10.397 -7.487 0.011) 12.812 18.607 ( -19.897 -4.087 0.118) 20.313 19.574 ( 16.242 -1.971 -0.409) 16.366 20.116 ( 23.297 12.325 0.234) 26.357 ======================= Grid point 657 (250/417) ======================= q-point: ( 0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.613 ( -0.000 16.823 0.561) 16.833 3.879 ( -0.000 27.267 0.115) 27.267 4.548 ( 0.000 4.787 -0.415) 4.805 4.848 ( -0.000 -2.161 0.180) 2.168 5.061 ( -0.000 13.591 0.604) 13.604 5.359 ( 0.000 5.478 -1.545) 5.691 5.575 ( -0.000 7.577 1.615) 7.747 5.807 ( 0.000 4.401 -0.082) 4.402 6.749 ( -0.000 -8.835 0.954) 8.886 7.053 ( 0.000 -18.380 -1.895) 18.478 8.371 ( -0.000 23.182 -0.347) 23.185 9.106 ( -0.000 16.634 0.955) 16.661 13.834 ( 0.000 -14.466 0.057) 14.466 14.316 ( 0.000 -22.837 -0.224) 22.839 14.913 ( 0.000 -15.264 -0.043) 15.264 17.827 ( 0.000 -1.254 -0.058) 1.256 20.250 ( 0.000 -3.072 -0.084) 3.074 21.422 ( 0.000 -13.265 -0.036) 13.265 ======================= Grid point 658 (251/417) ======================= q-point: ( 0.56 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.923 ( 16.252 13.277 0.453) 20.991 4.143 ( 2.122 21.622 0.002) 21.726 4.618 ( 3.129 3.474 -0.293) 4.685 4.840 ( 1.797 -1.264 0.104) 2.199 5.207 ( 2.630 10.408 0.568) 10.750 5.408 ( -0.223 5.313 -1.033) 5.417 5.642 ( -0.456 5.732 0.905) 5.820 5.929 ( 8.885 3.095 -0.098) 9.409 6.648 ( -1.866 -8.116 0.629) 8.351 6.877 ( 2.226 -18.019 -1.025) 18.185 8.566 ( -3.081 20.069 -0.314) 20.307 9.188 ( -7.677 12.659 0.491) 14.813 13.709 ( -0.768 -10.831 -0.011) 10.858 14.090 ( -1.346 -19.859 -0.129) 19.905 14.778 ( 1.063 -10.480 0.037) 10.534 17.884 ( 7.440 0.234 -0.032) 7.444 20.166 ( -5.923 -4.068 -0.239) 7.190 21.211 ( -9.539 -11.643 0.153) 15.052 ======================= Grid point 659 (252/417) ======================= q-point: ( 0.62 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.284 ( 4.939 13.589 0.179) 14.460 4.451 ( 16.238 7.160 0.190) 17.747 4.729 ( 7.273 3.908 -0.323) 8.263 4.895 ( 5.396 -0.454 0.157) 5.418 5.351 ( 3.519 4.348 -0.287) 5.601 5.485 ( 3.993 8.859 0.089) 9.718 5.678 ( -0.961 3.658 0.317) 3.795 6.125 ( 9.555 0.258 -0.056) 9.559 6.531 ( -3.156 -6.259 0.146) 7.011 6.819 ( 10.727 -12.107 -0.251) 16.177 8.651 ( -6.751 13.254 -0.101) 14.875 9.100 ( -14.329 8.265 0.066) 16.542 13.557 ( -7.733 -4.728 -0.095) 9.064 13.860 ( -3.321 -18.466 -0.022) 18.762 14.802 ( 10.734 -3.704 0.070) 11.356 18.089 ( 14.000 3.050 0.022) 14.329 19.958 ( -11.929 -5.851 -0.344) 13.291 20.869 ( -17.631 -8.781 0.258) 19.698 ======================= Grid point 660 (253/417) ======================= q-point: ( 0.69 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.442 ( 2.243 7.717 0.041) 8.036 4.633 ( 3.905 -1.363 0.153) 4.139 4.942 ( 6.019 3.662 -0.104) 7.046 5.045 ( 12.154 0.328 0.033) 12.159 5.396 ( 0.720 0.892 -0.078) 1.148 5.675 ( -1.445 1.716 -0.250) 2.257 5.805 ( 20.648 8.254 0.244) 22.238 6.222 ( 3.136 -1.794 0.227) 3.620 6.423 ( -3.462 -3.337 -0.186) 4.812 7.040 ( 22.673 -3.774 -0.010) 22.985 8.590 ( -10.696 4.920 0.147) 11.775 8.866 ( -19.159 3.725 -0.273) 19.520 13.370 ( -9.999 -0.200 -0.063) 10.001 13.610 ( -7.183 -11.831 -0.016) 13.841 15.051 ( 18.065 0.243 0.060) 18.067 18.418 ( 18.646 4.983 0.099) 19.301 19.655 ( -14.682 -6.216 -0.398) 15.948 20.437 ( -23.567 -5.197 0.284) 24.135 ======================= Grid point 661 (254/417) ======================= q-point: (-0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.529 ( 3.348 -0.082 -0.037) 3.350 4.655 ( 0.177 0.175 0.191) 0.314 5.043 ( 4.656 -0.226 -0.105) 4.663 5.175 ( 2.053 0.126 -0.133) 2.061 5.440 ( 3.977 0.132 0.243) 3.987 5.639 ( -2.968 -0.246 -0.253) 2.989 6.240 ( 1.250 -0.406 0.295) 1.347 6.270 ( 17.172 0.612 0.019) 17.183 6.370 ( 5.029 -0.124 -0.144) 5.032 7.456 ( 24.978 -0.019 -0.095) 24.978 8.396 ( -13.119 -0.160 0.228) 13.122 8.532 ( -19.926 0.036 -0.356) 19.929 13.230 ( -5.548 0.112 0.033) 5.549 13.402 ( -8.983 -0.090 -0.069) 8.984 15.359 ( 14.918 -0.005 0.031) 14.918 18.809 ( 21.656 -0.183 0.152) 21.657 19.379 ( -10.946 0.399 -0.352) 10.959 19.964 ( -26.957 -0.178 0.220) 26.958 ======================= Grid point 662 (255/417) ======================= q-point: (-0.19 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.557 ( 3.134 -5.540 -0.070) 6.365 4.658 ( -1.369 2.786 0.167) 3.108 5.090 ( 2.372 -4.247 -0.213) 4.869 5.175 ( -1.178 1.674 0.102) 2.049 5.500 ( 2.697 -3.908 0.206) 4.753 5.591 ( -1.581 1.985 -0.298) 2.555 6.253 ( -0.120 1.346 0.386) 1.406 6.302 ( -1.263 1.382 -0.269) 1.891 6.566 ( 8.351 -14.299 0.054) 16.559 7.757 ( 5.624 -10.349 -0.123) 11.779 8.220 ( -2.234 5.119 -0.209) 5.589 8.308 ( -5.489 8.297 0.137) 9.949 13.184 ( 0.542 -0.845 0.084) 1.007 13.318 ( -5.859 9.975 -0.090) 11.569 15.501 ( 3.246 -5.563 0.008) 6.441 19.022 ( 12.649 -20.978 -0.196) 24.497 19.362 ( -6.060 8.064 0.423) 10.096 19.617 ( -11.208 20.957 -0.202) 23.767 ======================= Grid point 663 (256/417) ======================= q-point: (-0.12 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.527 ( -1.642 -2.845 -0.000) 3.285 4.663 ( 0.015 0.026 -0.000) 0.030 5.038 ( -2.394 -4.146 -0.000) 4.788 5.170 ( -1.117 -1.935 -0.000) 2.234 5.450 ( -1.879 -3.254 -0.000) 3.757 5.629 ( 1.355 2.347 -0.000) 2.710 6.260 ( -8.145 -14.108 0.000) 16.290 6.262 ( 0.151 0.261 -0.000) 0.302 6.364 ( -3.744 -6.484 -0.000) 7.487 7.452 ( -12.377 -21.438 0.000) 24.755 8.406 ( 6.614 11.456 -0.000) 13.228 8.517 ( 9.747 16.882 0.000) 19.494 13.231 ( 2.743 4.751 -0.000) 5.486 13.399 ( 4.487 7.772 0.000) 8.974 15.361 ( -7.424 -12.859 -0.000) 14.849 18.815 ( -10.886 -18.856 -0.000) 21.773 19.365 ( 5.461 9.459 -0.000) 10.923 19.973 ( 13.553 23.474 -0.000) 27.106 ======================= Grid point 675 (257/417) ======================= q-point: ( 0.56 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.883 ( -0.000 9.485 0.335) 9.491 4.330 ( -0.000 16.628 -0.039) 16.628 4.619 ( -0.000 2.392 -0.005) 2.392 4.801 ( 0.000 -2.219 -0.135) 2.223 5.278 ( -0.000 7.427 0.310) 7.433 5.464 ( 0.000 5.724 -0.547) 5.750 5.697 ( -0.000 3.834 0.351) 3.850 5.878 ( 0.000 2.578 -0.071) 2.579 6.591 ( -0.000 -6.578 0.345) 6.587 6.679 ( 0.000 -16.134 -0.354) 16.138 8.778 ( -0.000 15.540 -0.197) 15.541 9.363 ( -0.000 8.364 0.109) 8.364 13.606 ( 0.000 -7.982 0.039) 7.982 13.949 ( 0.000 -12.933 -0.124) 12.934 14.670 ( 0.000 -8.526 0.052) 8.526 17.808 ( 0.000 -0.621 -0.029) 0.622 20.194 ( 0.000 -2.089 -0.309) 2.112 21.194 ( -0.000 -8.557 0.250) 8.561 ======================= Grid point 676 (258/417) ======================= q-point: ( 0.62 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.113 ( 16.692 5.010 0.255) 17.430 4.449 ( -0.766 7.997 -0.028) 8.033 4.663 ( 3.079 1.162 0.098) 3.292 4.813 ( 3.312 -0.887 -0.180) 3.433 5.346 ( 1.541 3.040 -0.326) 3.424 5.523 ( 0.588 5.188 0.131) 5.223 5.718 ( -0.543 1.495 -0.117) 1.595 5.971 ( 7.763 1.036 0.002) 7.832 6.522 ( -1.698 -4.000 -0.463) 4.370 6.580 ( 4.177 -8.845 0.721) 9.808 8.862 ( -4.239 8.234 0.064) 9.262 9.357 ( -7.680 3.969 -0.297) 8.650 13.575 ( 2.234 -2.605 -0.005) 3.432 13.791 ( -5.990 -8.666 -0.050) 10.534 14.635 ( 4.056 -3.639 0.060) 5.449 17.888 ( 9.451 0.167 0.003) 9.452 20.105 ( -8.021 -1.560 -0.362) 8.180 21.044 ( -9.602 -4.550 0.310) 10.630 ======================= Grid point 677 (259/417) ======================= q-point: (-0.31 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.467 ( 14.892 -2.785 0.203) 15.151 4.473 ( 1.085 2.665 0.059) 2.878 4.784 ( 11.761 0.351 0.210) 11.768 4.879 ( 4.539 -0.262 -0.247) 4.554 5.387 ( 1.452 0.112 -0.366) 1.502 5.603 ( 6.649 -0.064 0.075) 6.650 5.709 ( -1.082 -0.447 -0.391) 1.235 6.124 ( 7.690 0.261 0.477) 7.709 6.458 ( -2.787 -0.417 -0.705) 2.905 6.689 ( 13.720 0.440 0.691) 13.745 8.793 ( -8.465 0.225 0.296) 8.473 9.180 ( -14.424 -0.315 -0.601) 14.440 13.573 ( -11.492 0.318 -0.007) 11.497 13.605 ( -0.121 -0.261 -0.048) 0.292 14.765 ( 13.002 -0.017 0.073) 13.002 18.122 ( 16.490 0.011 0.058) 16.490 19.895 ( -14.384 0.094 -0.374) 14.389 20.779 ( -17.910 -0.057 0.316) 17.913 ======================= Grid point 678 (260/417) ======================= q-point: (-0.25 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.441 ( 2.272 -7.751 -0.029) 8.077 4.636 ( 3.974 1.461 0.344) 4.248 4.940 ( 5.707 -3.771 -0.266) 6.846 5.045 ( 12.290 -0.362 0.041) 12.295 5.402 ( 0.761 -0.374 0.264) 0.888 5.669 ( -1.760 -2.147 -0.615) 2.844 5.797 ( 21.075 -8.879 -0.214) 22.870 6.233 ( 3.268 2.420 0.923) 4.170 6.416 ( -3.307 2.838 -0.679) 4.411 7.043 ( 22.362 4.072 0.177) 22.730 8.593 ( -10.874 -4.749 0.354) 11.871 8.859 ( -18.980 -4.139 -0.676) 19.438 13.371 ( -10.003 0.301 0.048) 10.008 13.609 ( -7.196 11.833 -0.084) 13.850 15.051 ( 18.065 -0.271 0.058) 18.067 18.418 ( 18.581 -5.037 0.087) 19.252 19.657 ( -14.548 6.532 -0.290) 15.950 20.437 ( -23.638 5.022 0.246) 24.167 ======================= Grid point 679 (261/417) ======================= q-point: (-0.19 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.410 ( 4.651 -9.842 -0.025) 10.886 4.687 ( 0.756 1.048 0.291) 1.324 4.983 ( 4.387 -5.215 -0.341) 6.824 5.164 ( 3.625 -2.062 0.019) 4.170 5.418 ( 2.213 -1.969 0.494) 3.003 5.616 ( -1.164 -1.925 -0.737) 2.368 6.069 ( 21.902 -18.736 -0.043) 28.823 6.288 ( -0.193 2.651 0.846) 2.790 6.396 ( -3.023 4.335 -0.534) 5.312 7.456 ( 18.764 -1.115 -0.052) 18.797 8.383 ( -7.930 -0.498 0.126) 7.947 8.496 ( -14.093 -3.594 -0.414) 14.550 13.252 ( -6.190 4.490 0.075) 7.648 13.599 ( -10.053 16.663 -0.068) 19.460 15.304 ( 11.757 -5.232 0.022) 12.869 18.605 ( 13.609 -14.988 -0.028) 20.245 19.582 ( -6.862 14.561 0.086) 16.098 20.110 ( -21.997 14.315 0.006) 26.245 ======================= Grid point 692 (262/417) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.981 ( -0.000 -0.195 0.099) 0.219 4.505 ( -0.000 0.053 0.020) 0.057 4.645 ( -0.000 0.150 0.340) 0.372 4.773 ( 0.000 -0.047 -0.353) 0.356 5.346 ( 0.000 -0.345 -0.645) 0.732 5.549 ( -0.000 0.359 0.380) 0.523 5.727 ( 0.000 -0.394 -0.456) 0.603 5.904 ( 0.000 0.013 -0.074) 0.075 6.490 ( 0.000 -0.854 -0.387) 0.937 6.527 ( -0.000 1.078 1.050) 1.505 8.945 ( -0.000 0.301 0.323) 0.442 9.441 ( 0.000 -0.375 -0.676) 0.773 13.524 ( -0.000 -0.033 0.012) 0.035 13.817 ( 0.000 0.087 -0.012) 0.088 14.582 ( -0.000 -0.012 0.046) 0.048 17.802 ( -0.000 0.033 0.009) 0.035 20.171 ( 0.000 0.054 -0.385) 0.389 21.105 ( -0.000 -0.035 0.350) 0.352 ======================= Grid point 693 (263/417) ======================= q-point: (-0.31 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.110 ( 16.699 -5.378 0.059) 17.544 4.449 ( -0.759 -7.957 0.012) 7.994 4.669 ( 3.194 -0.765 0.481) 3.320 4.809 ( 3.215 0.681 -0.424) 3.314 5.338 ( 1.775 -3.608 -0.786) 4.097 5.531 ( 0.323 -4.210 0.671) 4.276 5.708 ( -0.533 -2.508 -0.805) 2.687 5.972 ( 7.948 -0.941 0.092) 8.004 6.504 ( -1.116 3.478 -1.063) 3.804 6.604 ( 3.422 9.700 1.650) 10.417 8.869 ( -4.284 -7.786 0.476) 8.899 9.347 ( -7.640 -4.605 -0.898) 8.965 13.575 ( 2.291 2.594 -0.019) 3.461 13.793 ( -6.050 8.786 0.025) 10.668 14.635 ( 4.055 3.628 0.063) 5.442 17.889 ( 9.445 -0.112 0.043) 9.446 20.105 ( -7.999 1.672 -0.388) 8.181 21.044 ( -9.618 4.485 0.353) 10.619 ======================= Grid point 694 (264/417) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.281 ( 5.207 -13.581 0.003) 14.545 4.450 ( 16.208 -7.528 0.149) 17.872 4.739 ( 6.959 -3.648 0.312) 7.863 4.888 ( 5.551 0.413 -0.260) 5.572 5.346 ( 4.652 -5.066 -0.623) 6.906 5.496 ( 2.807 -7.510 0.818) 8.059 5.655 ( -0.869 -4.690 -1.110) 4.897 6.134 ( 10.106 -0.187 0.539) 10.122 6.513 ( -2.888 5.856 -0.946) 6.597 6.840 ( 9.863 12.811 0.973) 16.197 8.659 ( -6.904 -13.122 0.450) 14.834 9.085 ( -14.183 -8.710 -0.903) 16.669 13.559 ( -7.645 4.761 0.011) 9.006 13.860 ( -3.413 18.574 -0.008) 18.885 14.802 ( 10.717 3.698 0.080) 11.337 18.090 ( 13.960 -3.034 0.076) 14.286 19.958 ( -11.811 5.990 -0.325) 13.248 20.870 ( -17.708 8.718 0.299) 19.740 ======================= Grid point 695 (265/417) ======================= q-point: (-0.19 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.198 ( 4.929 -15.800 -0.022) 16.551 4.626 ( 8.016 -3.471 0.389) 8.744 4.811 ( 7.531 -8.496 -0.378) 11.360 5.009 ( 8.694 -3.715 0.197) 9.456 5.381 ( 2.241 -2.181 0.220) 3.135 5.518 ( 14.151 -16.493 0.094) 21.732 5.593 ( 0.354 -4.882 -1.083) 5.014 6.284 ( 5.305 1.446 0.883) 5.569 6.517 ( -3.889 7.027 -0.787) 8.070 7.178 ( 14.817 8.267 0.349) 16.971 8.419 ( -4.210 -11.916 0.329) 12.643 8.706 ( -16.482 -10.236 -0.785) 19.418 13.472 ( -9.883 10.132 0.053) 14.154 13.968 ( -8.672 22.293 -0.004) 23.920 15.044 ( 13.047 -0.257 0.047) 13.050 18.261 ( 11.710 -9.266 0.041) 14.933 19.864 ( -8.798 12.561 -0.112) 15.337 20.634 ( -21.195 14.088 0.151) 25.450 ======================= Grid point 709 (266/417) ======================= q-point: (-0.31 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.877 ( 0.000 -9.805 -0.048) 9.805 4.331 ( 0.000 -16.753 -0.028) 16.753 4.628 ( -0.000 -2.083 0.570) 2.159 4.795 ( 0.000 2.056 -0.494) 2.114 5.263 ( 0.000 -7.473 -0.590) 7.496 5.487 ( -0.000 -4.711 0.931) 4.802 5.672 ( 0.000 -5.077 -1.190) 5.215 5.878 ( 0.000 -2.544 -0.075) 2.545 6.566 ( 0.000 6.661 -0.944) 6.727 6.716 ( -0.000 16.374 1.667) 16.459 8.789 ( -0.000 -15.312 0.515) 15.321 9.344 ( 0.000 -8.879 -1.008) 8.936 13.604 ( -0.000 7.916 -0.036) 7.916 13.952 ( -0.000 13.085 0.067) 13.085 14.670 ( -0.000 8.580 0.083) 8.581 17.809 ( -0.000 0.684 0.055) 0.687 20.192 ( 0.000 2.136 -0.398) 2.173 21.196 ( -0.000 8.556 0.367) 8.564 ======================= Grid point 710 (267/417) ======================= q-point: (-0.25 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.915 ( 16.363 -13.496 -0.006) 21.210 4.141 ( 2.130 -21.838 -0.096) 21.942 4.632 ( 3.172 -3.278 0.544) 4.594 4.831 ( 1.805 1.219 -0.425) 2.219 5.194 ( 2.505 -9.939 -0.189) 10.251 5.438 ( -0.316 -4.823 0.818) 4.902 5.604 ( -0.362 -6.929 -1.415) 7.081 5.932 ( 9.181 -3.069 0.054) 9.681 6.623 ( -1.763 7.922 -0.885) 8.164 6.917 ( 1.838 18.732 1.376) 18.873 8.578 ( -3.181 -20.131 0.421) 20.385 9.164 ( -7.586 -13.120 -0.952) 15.185 13.708 ( -0.625 10.811 -0.051) 10.829 14.093 ( -1.461 19.984 0.079) 20.038 14.779 ( 1.024 10.595 0.126) 10.646 17.885 ( 7.417 -0.189 0.083) 7.420 20.164 ( -5.844 4.066 -0.367) 7.129 21.214 ( -9.599 11.715 0.338) 15.149 ======================= Grid point 711 (268/417) ======================= q-point: (-0.19 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.922 ( 4.736 -22.103 -0.045) 22.604 4.192 ( 25.071 -16.959 -0.002) 30.268 4.656 ( 3.620 -5.079 0.232) 6.242 4.866 ( 3.318 -3.461 0.060) 4.795 5.161 ( 6.270 -11.302 -0.159) 12.926 5.388 ( -0.205 -4.345 0.769) 4.417 5.525 ( 0.325 -7.344 -1.540) 7.511 6.109 ( 12.982 -2.537 0.339) 13.232 6.658 ( -3.390 8.257 -0.731) 8.956 7.147 ( 3.956 15.603 0.895) 16.121 8.315 ( -2.555 -19.534 0.260) 19.702 8.832 ( -12.754 -15.699 -0.818) 20.243 13.762 ( -7.637 14.844 -0.000) 16.694 14.305 ( -1.927 24.829 0.082) 24.904 14.917 ( 4.059 7.812 0.113) 8.805 18.016 ( 8.646 -3.921 0.078) 9.493 20.108 ( -6.569 8.356 -0.243) 10.631 21.112 ( -16.625 14.583 0.249) 22.116 ======================= Grid point 726 (269/417) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.604 ( 0.000 -17.013 -0.027) 17.013 3.875 ( 0.000 -27.491 -0.136) 27.492 4.563 ( -0.000 -4.636 0.537) 4.667 4.837 ( 0.000 2.062 -0.468) 2.114 5.060 ( -0.000 -12.694 0.573) 12.707 5.389 ( 0.000 -5.697 0.021) 5.697 5.526 ( 0.000 -8.476 -1.191) 8.559 5.807 ( 0.000 -4.356 -0.075) 4.356 6.721 ( 0.000 8.655 -0.770) 8.690 7.106 ( -0.000 19.615 1.296) 19.658 8.382 ( 0.000 -23.596 0.307) 23.598 9.076 ( 0.000 -17.216 -0.862) 17.238 13.832 ( -0.000 14.404 -0.101) 14.405 14.321 ( -0.000 22.970 0.114) 22.970 14.917 ( -0.000 15.545 0.218) 15.547 17.830 ( -0.000 1.307 0.107) 1.311 20.245 ( 0.000 2.936 -0.371) 2.959 21.428 ( -0.000 13.518 0.334) 13.522 ======================= Grid point 727 (270/417) ======================= q-point: (-0.19 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.580 ( 13.488 -20.593 0.086) 24.617 3.614 ( 8.044 -28.759 -0.187) 29.864 4.541 ( 3.107 -6.043 0.362) 6.805 4.816 ( -2.279 -5.598 0.169) 6.046 4.971 ( 4.239 -9.923 0.427) 10.798 5.332 ( 0.798 -6.200 -0.925) 6.319 5.435 ( 0.068 -8.915 -0.556) 8.932 5.856 ( 10.319 -4.364 0.011) 11.204 6.789 ( -2.004 8.384 -0.578) 8.640 7.284 ( -0.236 13.973 1.013) 14.012 8.140 ( -1.074 -20.060 0.093) 20.089 8.823 ( -6.865 -19.909 -0.660) 21.070 13.994 ( -0.495 17.084 -0.101) 17.092 14.563 ( -0.302 26.033 0.141) 26.035 15.056 ( -3.263 16.597 0.269) 16.917 17.885 ( 4.318 0.135 0.117) 4.322 20.248 ( -2.515 3.968 -0.295) 4.706 21.486 ( -9.113 14.247 0.277) 16.915 ======================= Grid point 743 (271/417) ======================= q-point: (-0.19 -0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.203 ( 0.000 -22.669 0.135) 22.670 3.258 ( 0.000 -33.247 -0.097) 33.248 4.443 ( -0.000 -7.485 0.250) 7.489 4.738 ( -0.000 -20.625 1.438) 20.675 4.868 ( 0.000 1.090 -0.237) 1.116 5.236 ( 0.000 -9.701 -3.150) 10.199 5.350 ( -0.000 -7.876 1.165) 7.961 5.711 ( 0.000 -4.945 -0.097) 4.946 6.886 ( 0.000 7.410 -0.354) 7.418 7.364 ( -0.000 -2.343 0.916) 2.516 8.002 ( 0.000 -6.351 -0.405) 6.364 8.670 ( 0.000 -21.485 -0.152) 21.485 14.165 ( -0.000 18.396 -0.164) 18.397 14.850 ( -0.000 28.959 0.170) 28.959 15.282 ( -0.000 20.253 0.424) 20.258 17.862 ( -0.000 1.819 0.153) 1.825 20.288 ( 0.000 0.867 -0.219) 0.895 21.702 ( -0.000 12.607 0.204) 12.608 ======================= Grid point 830 (272/417) ======================= q-point: ( 0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.120 ( -0.000 0.000 5.376) 5.376 0.120 ( -0.000 0.000 5.376) 5.376 0.299 ( -0.000 0.000 11.782) 11.782 3.648 ( 0.000 -0.000 -0.521) 0.521 3.648 ( 0.000 -0.000 -0.521) 0.521 4.864 ( -0.000 0.000 0.432) 0.432 4.864 ( -0.000 0.000 0.432) 0.432 5.409 ( 0.000 -0.000 -0.147) 0.147 5.409 ( 0.000 -0.000 -0.147) 0.147 5.415 ( 0.000 -0.000 -1.492) 1.492 8.260 ( -0.000 0.000 1.991) 1.991 9.582 ( 0.000 -0.000 -0.180) 0.180 15.518 ( -0.000 0.000 0.019) 0.019 15.518 ( -0.000 0.000 0.019) 0.019 17.387 ( -0.000 0.000 0.052) 0.052 18.015 ( 0.000 -0.000 -0.008) 0.008 18.015 ( 0.000 -0.000 -0.008) 0.008 19.612 ( 0.000 -0.000 -0.618) 0.618 ======================= Grid point 831 (273/417) ======================= q-point: ( 0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 17.967 10.373 6.348) 21.696 0.760 ( 30.970 17.880 1.177) 35.780 1.219 ( 51.728 29.865 0.398) 59.732 3.698 ( 4.382 2.530 -0.595) 5.095 3.831 ( 14.143 8.166 0.350) 16.335 4.869 ( 0.275 0.159 0.473) 0.570 5.230 ( 0.417 0.241 -6.956) 6.973 5.422 ( 1.236 0.714 -0.166) 1.437 5.530 ( 15.237 8.797 -7.284) 19.043 5.761 ( 23.818 13.751 -3.926) 27.781 8.044 ( -7.775 -4.489 12.725) 15.574 9.408 ( -10.392 -6.000 -4.214) 12.718 15.444 ( -6.193 -3.576 0.008) 7.151 16.822 ( -0.602 -0.347 -25.388) 25.398 17.543 ( -27.706 -15.996 2.267) 32.073 18.008 ( -0.705 -0.407 0.001) 0.814 18.841 ( 86.083 49.700 -28.838) 103.499 20.021 ( 33.782 19.504 -31.353) 50.046 ======================= Grid point 832 (274/417) ======================= q-point: ( 0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 29.704 17.150 2.444) 34.387 1.468 ( 29.664 17.127 0.803) 34.263 2.385 ( 48.057 27.746 -0.010) 55.492 3.840 ( 7.747 4.473 -0.639) 8.969 4.229 ( 18.468 10.662 2.359) 21.455 4.878 ( 0.412 0.238 0.459) 0.661 5.174 ( -1.848 -1.067 -2.453) 3.251 5.464 ( 2.301 1.328 -0.136) 2.660 5.945 ( 20.258 11.696 -9.120) 25.107 6.296 ( 22.833 13.183 0.993) 26.384 7.937 ( -4.365 -2.520 10.557) 11.699 9.105 ( -14.341 -8.280 -4.961) 17.287 15.237 ( -11.477 -6.626 0.050) 13.253 16.537 ( -15.648 -9.034 -9.407) 20.371 16.840 ( -30.892 -17.836 0.429) 35.674 17.983 ( -1.363 -0.787 -0.041) 1.574 19.867 ( 19.397 11.199 9.987) 24.524 20.964 ( 43.203 24.943 -32.773) 59.688 ======================= Grid point 833 (275/417) ======================= q-point: ( 0.38 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 32.235 18.611 1.098) 37.238 2.131 ( 27.106 15.650 0.661) 31.306 3.415 ( 40.038 23.116 -0.593) 46.236 4.039 ( 9.194 5.308 -0.661) 10.637 4.648 ( 16.334 9.430 4.076) 19.296 4.888 ( 0.337 0.194 0.441) 0.588 5.163 ( 1.436 0.829 -1.646) 2.336 5.527 ( 3.157 1.823 -0.091) 3.647 6.406 ( 21.166 12.220 -7.666) 25.615 6.784 ( 16.989 9.809 0.881) 19.637 7.906 ( 1.024 0.591 8.262) 8.347 8.748 ( -14.927 -8.618 -3.267) 17.543 14.924 ( -15.195 -8.773 0.118) 17.546 16.108 ( -22.982 -13.269 -1.365) 26.572 16.154 ( -24.798 -14.317 -2.959) 28.787 17.946 ( -1.778 -1.027 -0.108) 2.056 20.179 ( 8.117 4.686 4.460) 10.380 21.632 ( 18.249 10.536 -10.534) 23.558 ======================= Grid point 834 (276/417) ======================= q-point: ( 0.44 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( 31.247 18.041 0.554) 36.086 2.722 ( 23.658 13.659 0.542) 27.323 4.215 ( 28.751 16.599 -1.112) 33.217 4.248 ( 8.616 4.974 -0.671) 9.971 4.892 ( -0.190 -0.110 0.448) 0.499 4.979 ( 11.022 6.363 3.490) 13.197 5.242 ( 5.773 3.333 -0.471) 6.683 5.609 ( 3.934 2.272 -0.050) 4.543 6.894 ( 21.083 12.172 -5.065) 24.866 7.001 ( 1.903 1.098 0.501) 2.253 8.012 ( 2.580 1.490 3.589) 4.664 8.491 ( -1.909 -1.102 -0.124) 2.208 14.549 ( -16.774 -9.685 0.170) 19.370 15.463 ( -27.884 -16.099 -0.334) 32.200 15.693 ( -18.629 -10.755 -1.715) 21.579 17.903 ( -1.867 -1.078 -0.160) 2.162 20.298 ( 2.020 1.166 1.483) 2.765 21.812 ( -0.089 -0.052 -2.838) 2.840 ======================= Grid point 835 (277/417) ======================= q-point: ( 0.50 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.225 ( 19.469 11.240 0.405) 22.484 3.270 ( 28.426 16.411 0.296) 32.824 4.426 ( 6.692 3.864 -0.671) 7.756 4.751 ( 18.186 10.500 -1.029) 21.025 4.878 ( -1.157 -0.668 0.470) 1.417 5.182 ( 6.875 3.969 1.040) 8.007 5.412 ( 7.782 4.493 1.270) 9.075 5.707 ( 4.348 2.510 -0.007) 5.020 6.921 ( -6.512 -3.759 1.243) 7.621 7.252 ( 3.904 2.254 -3.712) 5.840 8.006 ( 5.896 3.404 0.485) 6.826 8.731 ( 16.527 9.542 1.566) 19.148 14.166 ( -15.868 -9.162 0.170) 18.324 14.844 ( -25.152 -14.521 -0.322) 29.045 15.274 ( -17.011 -9.821 -0.622) 19.652 17.861 ( -1.629 -0.941 -0.165) 1.889 20.298 ( -1.765 -1.019 0.490) 2.096 21.682 ( -9.416 -5.436 -0.729) 10.897 ======================= Grid point 836 (278/417) ======================= q-point: ( 0.56 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.621 ( 14.487 8.364 0.241) 16.730 3.878 ( 23.496 13.565 0.151) 27.131 4.553 ( 4.388 2.534 -0.648) 5.109 4.840 ( -2.098 -1.211 0.492) 2.472 5.082 ( 11.044 6.376 -0.329) 12.756 5.330 ( 6.058 3.498 -0.247) 6.999 5.577 ( 5.889 3.400 1.447) 6.953 5.804 ( 3.823 2.207 0.038) 4.415 6.746 ( -8.111 -4.683 1.107) 9.431 7.056 ( -14.827 -8.560 -1.994) 17.236 8.372 ( 20.092 11.600 -0.380) 23.203 9.102 ( 13.876 8.012 1.120) 16.062 13.833 ( -12.439 -7.182 0.115) 14.364 14.315 ( -19.845 -11.457 -0.190) 22.916 14.917 ( -13.310 -7.684 -0.218) 15.370 17.828 ( -1.154 -0.666 -0.121) 1.337 20.240 ( -2.903 -1.676 0.308) 3.366 21.429 ( -11.201 -6.467 -0.320) 12.938 ======================= Grid point 837 (279/417) ======================= q-point: ( 0.62 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.888 ( 8.160 4.711 0.048) 9.422 4.329 ( 14.455 8.346 0.031) 16.692 4.628 ( 2.216 1.279 -0.598) 2.628 4.790 ( -2.051 -1.184 0.522) 2.425 5.273 ( 5.279 3.048 0.621) 6.127 5.468 ( 5.918 3.417 -0.843) 6.886 5.685 ( 3.039 1.755 1.085) 3.673 5.876 ( 2.233 1.289 0.076) 2.579 6.574 ( -6.348 -3.665 1.017) 7.401 6.708 ( -12.826 -7.405 -1.757) 14.914 8.782 ( 13.728 7.926 -0.495) 15.860 9.348 ( 6.847 3.953 0.990) 7.968 13.606 ( -6.871 -3.967 0.036) 7.934 13.948 ( -11.195 -6.463 -0.067) 12.927 14.672 ( -7.440 -4.295 -0.082) 8.591 17.808 ( -0.566 -0.327 -0.056) 0.656 20.182 ( -1.888 -1.090 0.390) 2.214 21.204 ( -7.310 -4.220 -0.359) 8.448 ======================= Grid point 838 (280/417) ======================= q-point: (-0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.983 ( -0.222 -0.128 -0.132) 0.288 4.505 ( 0.065 0.038 -0.033) 0.082 4.654 ( 0.191 0.111 -0.538) 0.581 4.764 ( -0.073 -0.042 0.555) 0.561 5.330 ( -0.390 -0.225 0.836) 0.950 5.560 ( 0.469 0.271 -0.580) 0.793 5.715 ( -0.501 -0.289 0.680) 0.893 5.903 ( 0.014 0.008 0.098) 0.099 6.484 ( -0.533 -0.308 0.147) 0.632 6.549 ( 0.774 0.447 -1.001) 1.342 8.953 ( 0.365 0.211 -0.458) 0.622 9.423 ( -0.447 -0.258 0.920) 1.055 13.524 ( -0.037 -0.021 -0.015) 0.046 13.816 ( 0.098 0.057 0.014) 0.115 14.584 ( -0.014 -0.008 -0.059) 0.061 17.802 ( 0.038 0.022 -0.011) 0.045 20.161 ( 0.060 0.035 0.494) 0.498 21.114 ( -0.039 -0.022 -0.447) 0.449 ======================= Grid point 839 (281/417) ======================= q-point: (-0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.878 ( -8.521 -4.920 -0.202) 9.842 4.330 ( -14.571 -8.412 0.052) 16.825 4.635 ( -1.815 -1.048 -0.455) 2.145 4.788 ( 1.811 1.046 0.498) 2.150 5.257 ( -5.914 -3.415 0.208) 6.832 5.496 ( -4.289 -2.477 -0.296) 4.962 5.660 ( -4.530 -2.615 0.600) 5.265 5.877 ( -2.197 -1.269 0.104) 2.539 6.557 ( 5.723 3.304 0.391) 6.620 6.734 ( 14.019 8.094 -0.893) 16.212 8.794 ( -13.352 -7.709 -0.231) 15.419 9.333 ( -7.585 -4.379 0.642) 8.782 13.604 ( 6.823 3.939 -0.002) 7.879 13.952 ( 11.357 6.557 0.040) 13.114 14.672 ( 7.468 4.312 -0.094) 8.624 17.810 ( 0.618 0.357 -0.019) 0.714 20.186 ( 1.897 1.095 0.494) 2.246 21.202 ( 7.359 4.249 -0.429) 8.508 ======================= Grid point 840 (282/417) ======================= q-point: (-0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.604 ( -14.735 -8.507 -0.188) 17.016 3.874 ( -23.814 -13.749 0.076) 27.498 4.566 ( -4.053 -2.340 -0.342) 4.693 4.834 ( 1.826 1.054 0.366) 2.140 5.064 ( -10.725 -6.192 -0.787) 12.409 5.386 ( -5.425 -3.132 0.931) 6.332 5.521 ( -7.108 -4.104 0.175) 8.209 5.806 ( -3.770 -2.177 0.101) 4.355 6.718 ( 7.529 4.347 0.369) 8.702 7.112 ( 16.916 9.766 -0.510) 19.539 8.383 ( -20.475 -11.821 -0.134) 23.643 9.072 ( -14.857 -8.578 0.409) 17.160 13.831 ( 12.451 7.189 0.071) 14.378 14.322 ( 19.918 11.500 -0.019) 22.999 14.918 ( 13.507 7.798 -0.185) 15.598 17.830 ( 1.150 0.664 -0.076) 1.330 20.242 ( 2.579 1.489 0.373) 3.001 21.430 ( 11.673 6.740 -0.293) 13.482 ======================= Grid point 847 (283/417) ======================= q-point: ( 0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( -0.000 19.661 6.085) 20.581 0.742 ( -0.000 35.664 0.983) 35.678 1.230 ( -0.000 58.669 0.598) 58.672 3.702 ( 0.000 5.292 -0.548) 5.320 3.848 ( -0.000 17.826 0.356) 17.829 4.865 ( -0.000 0.111 0.429) 0.443 5.232 ( 0.000 2.232 -7.787) 8.101 5.425 ( 0.000 1.573 -0.129) 1.578 5.510 ( 0.000 18.680 -8.479) 20.514 5.707 ( 0.000 24.051 -0.970) 24.070 8.059 ( -0.000 -9.867 12.139) 15.643 9.399 ( 0.000 -12.401 -4.091) 13.059 15.448 ( 0.000 -7.001 0.048) 7.001 16.768 ( 0.000 3.328 -26.164) 26.375 17.558 ( -0.000 -34.852 2.178) 34.920 18.005 ( 0.000 -0.951 -0.036) 0.951 18.627 ( 0.000 93.559 -24.943) 96.827 20.103 ( 0.000 48.247 -28.031) 55.799 ======================= Grid point 848 (284/417) ======================= q-point: ( 0.31 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 16.624 26.817 3.237) 31.718 1.375 ( 20.201 33.366 0.899) 39.015 2.034 ( 27.157 46.515 -0.136) 53.862 3.810 ( 4.150 7.873 -0.746) 8.931 4.122 ( 9.156 18.885 2.097) 21.092 4.879 ( 0.803 0.814 0.475) 1.238 5.176 ( -2.008 -2.662 -2.800) 4.354 5.491 ( 2.219 4.580 -0.281) 5.097 5.802 ( 10.777 20.088 -9.536) 24.711 6.099 ( 15.363 20.728 0.777) 25.812 7.977 ( -2.415 -6.070 10.901) 12.708 9.180 ( -7.827 -13.712 -5.225) 16.631 15.317 ( -5.520 -9.096 0.058) 10.640 16.601 ( -7.521 -13.000 -12.290) 19.406 17.027 ( -18.007 -32.265 0.964) 36.962 17.971 ( -0.815 -1.870 -0.065) 2.040 19.653 ( 27.440 27.802 6.412) 39.586 20.703 ( 17.940 52.110 -36.258) 65.969 ======================= Grid point 849 (285/417) ======================= q-point: ( 0.38 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 26.113 26.079 1.507) 36.936 2.039 ( 16.861 33.972 0.689) 37.933 2.993 ( 35.741 31.516 -0.603) 47.655 3.985 ( 5.879 9.295 -0.717) 11.022 4.501 ( 13.060 13.772 3.816) 19.359 4.910 ( 0.370 3.063 0.603) 3.143 5.138 ( 0.645 -0.827 -1.873) 2.147 5.576 ( 0.029 8.550 -0.104) 8.551 6.205 ( 15.788 17.246 -8.167) 24.767 6.582 ( 17.804 14.466 1.183) 22.971 7.914 ( -1.124 -3.106 8.990) 9.578 8.859 ( -11.301 -13.705 -4.166) 18.246 15.077 ( -11.276 -9.327 0.097) 14.634 16.250 ( -12.925 -16.091 -5.133) 21.268 16.373 ( -22.084 -26.659 -0.532) 34.622 17.940 ( -0.206 -2.479 -0.066) 2.488 20.131 ( 8.960 10.730 6.301) 15.334 21.408 ( 19.665 24.054 -15.925) 34.913 ======================= Grid point 850 (286/417) ======================= q-point: ( 0.44 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 27.972 24.195 0.722) 36.991 2.642 ( 14.197 31.846 0.491) 34.871 3.849 ( 31.973 19.776 -0.987) 37.608 4.187 ( 6.599 9.154 -0.667) 11.304 4.812 ( 9.158 4.178 2.900) 10.475 4.972 ( 1.482 8.174 1.778) 8.495 5.182 ( 4.247 2.246 -1.181) 4.947 5.665 ( -1.051 10.903 -0.037) 10.954 6.660 ( 19.097 15.572 -5.871) 25.331 6.930 ( 8.832 3.978 0.500) 9.699 7.960 ( 5.306 2.104 6.093) 8.349 8.530 ( -9.008 -11.381 -2.162) 14.675 14.747 ( -15.638 -9.174 0.132) 18.131 15.724 ( -23.326 -21.807 -0.248) 31.933 15.840 ( -14.656 -16.791 -2.480) 22.425 17.913 ( -0.551 -1.469 -0.118) 1.574 20.302 ( 1.594 4.998 2.212) 5.693 21.739 ( 6.638 1.805 -4.599) 8.275 ======================= Grid point 851 (287/417) ======================= q-point: ( 0.50 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( 26.963 21.463 0.357) 34.464 3.170 ( 11.240 28.649 0.335) 30.777 4.369 ( 7.020 6.976 -0.566) 9.913 4.490 ( 21.624 11.293 -1.080) 24.419 4.908 ( 0.764 2.494 0.602) 2.677 5.126 ( 5.076 6.243 1.712) 8.227 5.326 ( 7.430 4.918 0.694) 8.937 5.758 ( -1.280 11.678 -0.048) 11.748 6.965 ( -2.571 -4.005 1.040) 4.871 7.118 ( 15.863 10.291 -4.068) 19.341 8.003 ( -3.186 -1.955 1.370) 3.981 8.506 ( 14.810 1.554 1.059) 14.929 14.366 ( -16.921 -9.432 0.129) 19.373 15.115 ( -23.939 -16.971 -0.360) 29.346 15.420 ( -14.169 -15.331 -0.879) 20.894 17.893 ( -1.290 0.743 -0.146) 1.496 20.320 ( -2.015 -0.328 0.664) 2.147 21.706 ( -3.289 -9.894 -1.138) 10.489 ======================= Grid point 852 (288/417) ======================= q-point: ( 0.56 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.596 ( 13.675 20.150 0.085) 24.352 3.625 ( 17.908 22.664 0.278) 28.886 4.523 ( 3.974 5.747 -0.547) 7.009 4.823 ( 6.145 0.812 -0.047) 6.199 4.992 ( 6.280 8.896 -0.212) 10.892 5.269 ( 5.253 4.155 0.302) 6.704 5.503 ( 6.846 3.785 1.352) 7.939 5.851 ( -1.298 11.029 -0.057) 11.106 6.823 ( -6.651 -6.238 0.959) 9.169 7.199 ( -9.137 -5.107 -2.077) 10.672 8.138 ( 16.796 8.642 -0.063) 18.889 8.865 ( 19.388 2.968 1.093) 19.645 13.993 ( -14.422 -9.132 0.092) 17.070 14.556 ( -22.420 -13.145 -0.212) 25.990 15.052 ( -12.453 -10.851 -0.310) 16.520 17.884 ( -2.325 3.691 -0.129) 4.364 20.249 ( -2.703 -4.631 0.307) 5.371 21.479 ( -7.031 -14.380 -0.362) 16.011 ======================= Grid point 853 (289/417) ======================= q-point: ( 0.62 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.930 ( 3.272 20.763 0.005) 21.019 4.141 ( 17.655 12.617 0.089) 21.700 4.622 ( 1.745 4.314 -0.521) 4.683 4.835 ( -2.356 1.081 0.403) 2.623 5.212 ( 6.937 6.552 0.215) 9.544 5.400 ( 5.656 3.548 -0.536) 6.698 5.638 ( 4.827 2.103 1.156) 5.391 5.928 ( -1.814 9.425 -0.048) 9.598 6.643 ( -6.628 -5.923 0.937) 8.938 6.885 ( -15.628 -6.750 -1.481) 17.088 8.567 ( 19.038 7.486 -0.378) 20.461 9.181 ( 14.396 -0.567 0.911) 14.436 13.707 ( -8.925 -6.117 0.050) 10.821 14.089 ( -16.566 -11.056 -0.078) 19.917 14.781 ( -9.642 -4.346 -0.126) 10.577 17.884 ( -3.559 6.567 -0.083) 7.470 20.156 ( -0.712 -7.231 0.362) 7.275 21.219 ( -5.138 -14.001 -0.333) 14.918 ======================= Grid point 854 (290/417) ======================= q-point: ( 0.69 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.118 ( -4.130 17.044 -0.155) 17.538 4.448 ( 7.359 3.347 0.000) 8.084 4.670 ( -0.287 3.202 -0.508) 3.254 4.806 ( -2.621 2.496 0.487) 3.652 5.333 ( 1.527 2.598 0.832) 3.126 5.531 ( 4.269 3.174 -0.663) 5.361 5.709 ( 1.429 0.219 0.802) 1.653 5.972 ( -3.066 7.572 -0.076) 8.170 6.504 ( -3.265 -3.546 0.962) 4.915 6.608 ( -8.636 -0.937 -1.616) 8.836 8.868 ( 9.484 0.575 -0.468) 9.513 9.343 ( 6.967 -4.801 0.949) 8.514 13.575 ( -3.325 0.584 0.020) 3.376 13.791 ( -4.508 -9.496 -0.005) 10.511 14.636 ( -5.211 1.702 -0.080) 5.482 17.889 ( -4.599 8.300 -0.041) 9.489 20.096 ( 2.639 -7.731 0.487) 8.184 21.052 ( 0.900 -10.593 -0.436) 10.640 ======================= Grid point 855 (291/417) ======================= q-point: (-0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.112 ( -13.113 11.812 -0.222) 17.650 4.449 ( -6.526 -4.653 0.008) 8.015 4.676 ( -2.206 2.344 -0.470) 3.253 4.803 ( -1.053 3.182 0.486) 3.386 5.328 ( -3.900 -0.185 0.768) 3.979 5.540 ( -3.524 -1.720 -0.638) 3.973 5.697 ( -2.173 -1.843 0.732) 2.942 5.974 ( -4.952 6.632 -0.058) 8.277 6.493 ( 3.716 0.625 0.630) 3.821 6.623 ( 6.606 7.626 -1.223) 10.163 8.875 ( -4.603 -7.623 -0.411) 8.915 9.335 ( -0.186 -8.885 0.874) 8.930 13.575 ( 1.101 3.252 0.017) 3.433 13.793 ( 10.661 -0.837 0.017) 10.694 14.636 ( 1.116 5.345 -0.086) 5.461 17.889 ( -4.816 8.152 -0.032) 9.468 20.099 ( 5.481 -6.059 0.523) 8.187 21.050 ( 8.669 -6.123 -0.462) 10.623 ======================= Grid point 856 (292/417) ======================= q-point: (-0.19 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.916 ( -19.904 7.445 -0.167) 21.252 4.141 ( -20.008 -9.094 0.092) 21.978 4.635 ( -4.413 1.050 -0.401) 4.554 4.829 ( 0.161 2.267 0.362) 2.301 5.193 ( -9.525 -2.735 -0.040) 9.909 5.442 ( -4.261 -2.715 -0.301) 5.061 5.596 ( -5.855 -3.833 0.899) 7.055 5.932 ( -7.299 6.490 -0.009) 9.767 6.618 ( 7.773 2.450 0.585) 8.171 6.924 ( 15.275 10.837 -0.892) 18.751 8.581 ( -15.881 -12.848 -0.264) 20.429 9.159 ( -7.540 -13.100 0.685) 15.130 13.708 ( 9.660 4.863 0.051) 10.815 14.094 ( 18.060 8.734 -0.024) 20.061 14.780 ( 8.692 6.192 -0.130) 10.672 17.886 ( -3.861 6.338 -0.064) 7.422 20.161 ( 6.468 -2.995 0.428) 7.141 21.217 ( 14.922 -2.483 -0.368) 15.132 ======================= Grid point 864 (293/417) ======================= q-point: ( 0.31 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -0.000 34.089 2.254) 34.164 1.452 ( -0.000 34.255 0.805) 34.264 2.373 ( -0.000 54.305 -0.008) 54.305 3.847 ( 0.000 9.084 -0.638) 9.107 4.281 ( -0.000 22.862 2.581) 23.007 4.872 ( -0.000 0.369 0.458) 0.589 5.172 ( 0.000 -2.437 -2.555) 3.531 5.469 ( 0.000 2.738 -0.133) 2.742 5.917 ( 0.000 23.351 -10.220) 25.489 6.248 ( -0.000 28.650 2.402) 28.751 7.959 ( -0.000 -5.553 10.322) 11.721 9.079 ( 0.000 -16.893 -5.032) 17.627 15.243 ( 0.000 -13.160 0.050) 13.160 16.495 ( 0.000 -16.400 -9.751) 19.080 16.827 ( -0.000 -36.244 0.740) 36.252 17.978 ( 0.000 -1.654 -0.041) 1.655 19.712 ( -0.000 29.177 6.463) 29.885 21.040 ( 0.000 49.020 -27.898) 56.403 ======================= Grid point 865 (294/417) ======================= q-point: ( 0.38 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 10.325 35.442 1.530) 36.947 2.031 ( 21.862 31.296 0.787) 38.184 2.978 ( 10.325 45.910 -0.417) 47.058 3.989 ( 4.633 9.933 -0.758) 10.987 4.535 ( 3.135 19.249 3.530) 19.820 4.910 ( 2.985 2.243 0.699) 3.799 5.132 ( -1.138 -0.393 -1.931) 2.276 5.580 ( 7.079 4.378 -0.146) 8.325 6.192 ( 6.814 22.466 -8.250) 24.884 6.571 ( 4.969 23.291 1.531) 23.865 7.924 ( -1.224 -2.484 8.910) 9.330 8.842 ( -5.692 -17.308 -4.080) 18.671 15.081 ( -2.719 -14.300 0.053) 14.556 16.235 ( -7.180 -19.201 -5.223) 21.155 16.367 ( -11.454 -32.284 -0.190) 34.256 17.937 ( -1.784 -1.512 -0.028) 2.339 20.079 ( 10.828 13.498 6.215) 18.386 21.449 ( 4.609 30.130 -15.588) 34.235 ======================= Grid point 866 (295/417) ======================= q-point: ( 0.44 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 18.871 32.194 0.862) 37.327 2.722 ( 19.079 32.364 0.709) 37.576 3.621 ( 18.479 30.705 -0.776) 35.845 4.181 ( 5.702 10.254 -0.756) 11.757 4.757 ( 4.560 9.075 2.861) 10.551 5.026 ( 3.290 8.337 1.995) 9.182 5.139 ( 2.206 1.691 -1.732) 3.275 5.757 ( 4.944 8.764 -0.094) 10.063 6.555 ( 11.573 20.509 -5.920) 24.282 6.849 ( 5.980 10.129 0.518) 11.774 7.937 ( 1.433 3.323 6.562) 7.494 8.539 ( -8.144 -16.072 -2.514) 18.192 14.851 ( -8.023 -13.584 0.049) 15.776 15.816 ( -14.274 -26.092 -0.075) 29.741 15.873 ( -12.406 -20.694 -2.775) 24.287 17.904 ( -0.419 -0.942 -0.035) 1.032 20.317 ( 4.408 5.170 2.924) 7.397 21.679 ( 2.224 6.848 -5.815) 9.255 ======================= Grid point 867 (296/417) ======================= q-point: ( 0.50 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( 21.544 27.507 0.407) 34.942 3.325 ( 11.449 34.444 0.478) 36.300 4.194 ( 19.448 14.858 -0.707) 24.485 4.388 ( 6.600 11.140 -0.735) 12.969 4.896 ( 3.759 4.233 1.283) 5.804 5.144 ( 1.391 6.514 0.841) 6.713 5.262 ( 6.433 6.149 0.698) 8.927 5.914 ( 0.505 12.708 -0.165) 12.719 6.939 ( 3.169 0.535 0.530) 3.257 6.970 ( 11.493 13.197 -3.831) 17.915 8.052 ( -0.256 4.618 3.273) 5.666 8.302 ( 3.099 -9.381 -0.597) 9.897 14.521 ( -13.525 -14.476 0.010) 19.812 15.321 ( -18.262 -16.400 -0.331) 24.547 15.449 ( -10.589 -21.113 -0.989) 23.640 17.906 ( 0.607 1.029 -0.064) 1.197 20.362 ( -1.992 -0.253 0.885) 2.195 21.642 ( -2.945 -9.890 -1.596) 10.442 ======================= Grid point 868 (297/417) ======================= q-point: ( 0.56 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.411 ( 20.826 21.545 0.153) 29.965 3.817 ( 5.538 34.106 0.233) 34.553 4.503 ( 6.458 6.227 -0.329) 8.977 4.687 ( 12.418 9.361 -0.640) 15.564 5.003 ( 3.144 6.676 0.420) 7.391 5.239 ( 3.159 4.628 0.087) 5.604 5.434 ( 6.045 4.954 1.417) 7.943 6.028 ( -2.635 13.789 -0.262) 14.041 6.854 ( -4.391 -7.037 0.719) 8.326 7.243 ( 2.117 3.326 -2.177) 4.504 8.022 ( 3.071 4.567 0.482) 5.524 8.528 ( 19.619 -0.309 0.985) 19.646 14.118 ( -13.961 -15.906 -0.017) 21.164 14.818 ( -21.946 -13.870 -0.285) 25.963 15.121 ( -8.189 -11.414 -0.242) 14.050 17.946 ( 0.604 4.704 -0.079) 4.743 20.267 ( -5.103 -5.413 0.236) 7.443 21.410 ( -5.604 -18.713 -0.385) 19.538 ======================= Grid point 869 (298/417) ======================= q-point: ( 0.62 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.927 ( 16.835 14.957 0.022) 22.520 4.206 ( 1.830 30.030 0.001) 30.085 4.637 ( 2.779 5.680 -0.210) 6.327 4.874 ( 1.561 4.628 -0.051) 4.884 5.181 ( 6.270 10.568 0.176) 12.289 5.345 ( 4.491 3.539 -0.387) 5.731 5.573 ( 5.249 2.686 1.196) 6.017 6.099 ( -4.024 12.077 -0.308) 12.734 6.686 ( -5.894 -7.540 0.632) 9.591 7.097 ( -13.945 -2.550 -0.892) 14.205 8.309 ( 17.557 7.585 -0.208) 19.127 8.858 ( 19.286 -3.966 0.766) 19.704 13.758 ( -8.959 -14.125 -0.001) 16.727 14.301 ( -20.423 -13.936 -0.080) 24.725 14.917 ( -8.745 -0.256 -0.113) 8.750 18.016 ( -0.960 9.520 -0.078) 9.568 20.102 ( -4.116 -10.173 0.240) 10.977 21.114 ( -4.045 -21.350 -0.246) 21.732 ======================= Grid point 870 (299/417) ======================= q-point: ( 0.69 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.286 ( 9.548 10.807 -0.066) 14.420 4.455 ( -2.248 18.071 -0.225) 18.212 4.727 ( 0.160 7.960 -0.122) 7.963 4.895 ( -3.453 4.631 0.149) 5.779 5.341 ( 1.894 5.059 0.619) 5.437 5.493 ( 5.634 7.964 -0.643) 9.777 5.672 ( 3.470 0.950 0.848) 3.697 6.129 ( -4.431 8.787 -0.445) 9.851 6.524 ( -4.333 -6.006 0.773) 7.446 6.825 ( -15.083 3.080 -0.817) 15.416 8.653 ( 14.996 0.926 -0.349) 15.028 9.093 ( 14.015 -8.433 0.783) 16.375 13.556 ( -0.217 -9.061 0.025) 9.063 13.860 ( -14.328 -12.116 0.017) 18.765 14.804 ( -8.576 7.436 -0.100) 11.352 18.090 ( -4.371 13.696 -0.078) 14.377 19.949 ( 0.819 -13.282 0.425) 13.314 20.876 ( 1.298 -19.650 -0.368) 19.696 ======================= Grid point 871 (300/417) ======================= q-point: (-0.25 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.470 ( -7.946 3.931 -0.173) 8.867 4.474 ( -0.246 9.914 -0.207) 9.919 4.788 ( -5.326 10.312 -0.322) 11.611 4.875 ( -2.670 3.796 0.380) 4.657 5.381 ( -0.842 1.721 0.546) 1.992 5.605 ( -3.129 5.365 -0.214) 6.215 5.702 ( -0.079 -1.183 0.627) 1.342 6.132 ( -3.722 7.215 -0.685) 8.147 6.446 ( 0.795 -2.548 0.946) 2.832 6.700 ( -5.984 11.545 -0.908) 13.035 8.798 ( 4.535 -7.184 -0.443) 8.507 9.170 ( 6.776 -12.661 0.875) 14.386 13.572 ( 6.137 -9.713 0.008) 11.490 13.604 ( -0.249 -0.324 0.069) 0.414 14.766 ( -6.523 11.252 -0.103) 13.006 18.123 ( -8.252 14.324 -0.082) 16.531 19.888 ( 7.301 -12.383 0.523) 14.385 20.784 ( 8.903 -15.577 -0.441) 17.947 ======================= Grid point 872 (301/417) ======================= q-point: (-0.19 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.281 ( -14.360 -2.342 -0.072) 14.550 4.451 ( -14.747 10.378 -0.208) 18.034 4.741 ( -6.545 4.008 -0.163) 7.677 4.886 ( -2.436 5.181 0.176) 5.728 5.342 ( -6.808 1.591 0.666) 7.023 5.501 ( -7.608 -1.320 -0.835) 7.767 5.648 ( -3.813 -3.163 0.966) 5.047 6.138 ( -5.386 8.804 -0.478) 10.332 6.507 ( 6.547 0.468 0.808) 6.613 6.845 ( 6.283 14.697 -0.787) 16.003 8.662 ( -7.930 -12.567 -0.387) 14.865 9.079 ( -0.459 -16.602 0.819) 16.629 13.559 ( 7.941 -4.224 0.026) 8.995 13.860 ( 17.821 6.324 0.016) 18.910 14.802 ( -2.153 11.126 -0.100) 11.332 18.090 ( -9.611 10.578 -0.078) 14.292 19.955 ( 11.124 -7.184 0.430) 13.249 20.872 ( 16.386 -11.017 -0.373) 19.748 ======================= Grid point 881 (302/417) ======================= q-point: ( 0.38 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -0.000 37.250 1.049) 37.265 2.116 ( -0.000 31.340 0.832) 31.351 3.383 ( -0.000 45.488 -0.126) 45.488 4.046 ( 0.000 10.616 -0.734) 10.642 4.735 ( -0.000 20.065 3.536) 20.374 4.883 ( -0.000 0.434 0.506) 0.667 5.144 ( 0.000 0.710 -1.705) 1.847 5.532 ( 0.000 3.651 -0.155) 3.655 6.363 ( 0.000 25.313 -7.159) 26.306 6.780 ( -0.000 20.523 0.954) 20.545 7.952 ( -0.000 2.402 7.902) 8.259 8.700 ( 0.000 -18.363 -3.134) 18.628 14.931 ( 0.000 -17.537 0.034) 17.537 16.081 ( 0.000 -24.161 -2.533) 24.294 16.139 ( 0.000 -29.771 -1.276) 29.798 17.940 ( 0.000 -2.058 -0.033) 2.058 20.125 ( -0.000 12.016 4.667) 12.891 21.663 ( 0.000 20.805 -10.351) 23.238 ======================= Grid point 882 (303/417) ======================= q-point: ( 0.44 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 7.326 36.335 0.787) 37.074 2.633 ( 20.971 28.094 0.741) 35.066 3.823 ( 2.010 37.299 -0.232) 37.354 4.191 ( 4.284 10.228 -0.752) 11.115 4.837 ( -2.028 7.035 1.697) 7.515 5.023 ( 6.712 10.213 2.005) 12.385 5.149 ( -0.584 2.961 -1.230) 3.259 5.668 ( 9.758 4.501 -0.128) 10.747 6.643 ( 3.921 25.161 -5.420) 26.035 6.929 ( -0.897 9.721 0.483) 9.775 8.009 ( -1.078 8.137 5.305) 9.774 8.479 ( -4.374 -15.877 -1.447) 16.532 14.752 ( -0.273 -18.123 0.007) 18.125 15.712 ( -7.072 -30.561 -0.175) 31.369 15.832 ( -6.955 -21.103 -2.059) 22.315 17.909 ( -0.838 -1.218 -0.018) 1.479 20.279 ( 4.879 4.876 2.688) 7.403 21.761 ( -3.300 6.254 -5.024) 8.674 ======================= Grid point 883 (304/417) ======================= q-point: ( 0.50 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( 13.254 32.362 0.438) 34.974 3.322 ( 24.550 26.926 0.633) 36.443 4.187 ( 3.829 24.563 -0.384) 24.863 4.386 ( 6.255 10.853 -0.638) 12.543 4.896 ( 1.875 4.869 1.188) 5.352 5.182 ( 0.983 3.899 -1.393) 4.255 5.238 ( 5.066 9.837 2.408) 11.324 5.914 ( 10.651 6.761 -0.175) 12.617 6.925 ( 0.956 4.896 -0.041) 4.988 6.983 ( 3.321 15.309 -3.187) 15.986 8.101 ( 3.226 4.026 1.677) 5.425 8.253 ( -8.345 -4.265 0.951) 9.420 14.523 ( -5.953 -18.912 -0.065) 19.826 15.316 ( -4.883 -23.951 -0.181) 24.444 15.448 ( -12.875 -19.716 -0.925) 23.565 17.905 ( 0.707 1.010 -0.011) 1.233 20.358 ( 1.388 -1.763 1.032) 2.470 21.647 ( -7.899 -7.447 -1.776) 11.000 ======================= Grid point 884 (305/417) ======================= q-point: ( 0.56 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.336 ( 15.105 26.074 0.176) 30.134 3.980 ( 17.150 29.276 0.442) 33.932 4.440 ( 5.657 10.146 -0.381) 11.622 4.629 ( 7.765 12.889 -0.478) 15.054 5.006 ( 4.091 6.619 0.779) 7.820 5.244 ( 1.604 4.160 -0.763) 4.524 5.407 ( 4.168 6.724 1.649) 8.081 6.135 ( 5.097 8.803 -0.365) 10.178 6.851 ( -3.509 -6.687 0.774) 7.591 7.232 ( 4.907 9.954 -2.546) 11.386 8.083 ( -1.522 -1.232 0.305) 1.982 8.284 ( 5.756 7.984 1.453) 9.950 14.159 ( -11.827 -20.369 -0.106) 23.554 14.963 ( -13.810 -24.018 -0.422) 27.709 15.120 ( -3.869 -6.731 -0.015) 7.764 17.960 ( 2.607 4.446 -0.016) 5.154 20.293 ( -3.859 -6.682 0.192) 7.718 21.353 ( -10.172 -17.501 -0.420) 20.247 ======================= Grid point 885 (306/417) ======================= q-point: ( 0.62 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.820 ( 14.228 18.869 0.046) 23.632 4.457 ( 3.869 26.284 -0.030) 26.567 4.613 ( 6.677 5.327 0.074) 8.542 4.877 ( 6.042 9.924 -0.345) 11.624 5.198 ( 6.747 13.689 0.425) 15.267 5.315 ( 2.711 3.160 -0.578) 4.204 5.529 ( 3.589 3.866 1.165) 5.402 6.252 ( -0.924 7.469 -0.480) 7.541 6.700 ( -4.853 -8.263 0.446) 9.593 7.281 ( -5.494 2.877 -0.748) 6.247 8.176 ( 6.489 9.397 0.038) 11.420 8.499 ( 14.829 -2.717 0.658) 15.090 13.759 ( -10.378 -18.310 -0.063) 21.046 14.455 ( -17.029 -21.647 -0.118) 27.543 15.052 ( -3.334 3.264 -0.028) 4.666 18.085 ( 3.720 9.175 -0.023) 9.900 20.105 ( -7.292 -10.513 0.024) 12.794 20.978 ( -8.095 -23.448 -0.102) 24.806 ======================= Grid point 886 (307/417) ======================= q-point: ( 0.69 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.200 ( 11.238 12.095 -0.007) 16.510 4.628 ( -0.921 7.637 -0.414) 7.704 4.807 ( 3.364 12.300 0.422) 12.758 5.012 ( -0.875 8.914 -0.211) 8.960 5.359 ( 1.461 3.017 0.069) 3.353 5.530 ( 6.146 20.599 -0.280) 21.498 5.622 ( 3.894 2.193 0.774) 4.536 6.264 ( -3.400 3.618 -0.530) 4.993 6.535 ( -4.536 -7.428 0.378) 8.712 7.161 ( -14.002 9.983 -0.113) 17.197 8.416 ( 12.059 2.661 -0.259) 12.352 8.720 ( 16.759 -9.829 0.582) 19.437 13.468 ( -3.814 -13.582 -0.006) 14.108 13.967 ( -14.884 -18.529 0.013) 23.766 15.046 ( -6.286 11.399 -0.063) 13.018 18.262 ( 2.158 14.886 -0.057) 15.042 19.854 ( -6.426 -14.090 0.234) 15.488 20.640 ( -1.585 -25.251 -0.220) 25.302 ======================= Grid point 887 (308/417) ======================= q-point: ( 0.75 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.442 ( 5.534 5.757 -0.006) 7.985 4.636 ( -3.040 2.648 -0.360) 4.048 4.940 ( 0.122 7.173 0.267) 7.179 5.046 ( -5.748 10.426 -0.045) 11.905 5.397 ( 0.386 1.457 -0.120) 1.512 5.670 ( 2.118 -0.191 0.535) 2.193 5.807 ( -3.424 21.631 0.050) 21.900 6.229 ( -2.748 1.943 -0.800) 3.459 6.418 ( -1.447 -4.657 0.580) 4.911 7.041 ( -14.400 17.603 -0.114) 22.743 8.593 ( 9.665 -6.730 -0.355) 11.783 8.859 ( 12.642 -14.771 0.674) 19.454 13.369 ( 4.850 -8.716 0.011) 9.975 13.609 ( -6.681 -12.159 0.070) 13.874 15.052 ( -8.810 15.743 -0.084) 18.041 18.420 ( -5.010 18.690 -0.132) 19.350 19.649 ( 1.949 -15.826 0.480) 15.952 20.442 ( 7.304 -23.037 -0.368) 24.169 ======================= Grid point 888 (309/417) ======================= q-point: (-0.19 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.441 ( -7.837 -1.906 0.010) 8.065 4.638 ( -0.707 4.154 -0.383) 4.231 4.938 ( -6.150 3.022 0.293) 6.859 5.045 ( -6.384 10.408 -0.048) 12.210 5.403 ( -0.745 0.655 -0.215) 1.015 5.665 ( -1.142 -2.628 0.645) 2.937 5.796 ( -18.157 13.822 0.114) 22.820 6.239 ( 0.469 4.052 -0.993) 4.198 6.411 ( 4.016 -1.389 0.759) 4.317 7.044 ( -7.537 21.258 -0.162) 22.555 8.596 ( 1.351 -11.812 -0.400) 11.896 8.854 ( 5.840 -18.466 0.746) 19.382 13.372 ( 5.262 -8.500 -0.020) 9.997 13.608 ( 13.864 -0.313 0.083) 13.867 15.052 ( -9.267 15.496 -0.077) 18.056 18.419 ( -13.676 13.565 -0.118) 19.263 19.655 ( 12.984 -9.264 0.418) 15.956 20.439 ( 16.147 -18.011 -0.334) 24.191 ======================= Grid point 898 (310/417) ======================= q-point: ( 0.44 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( -0.000 36.176 0.580) 36.181 2.711 ( -0.000 27.380 0.816) 27.392 4.175 ( -0.000 33.080 0.089) 33.080 4.251 ( 0.000 9.801 -0.740) 9.829 4.890 ( -0.000 -0.027 0.490) 0.491 5.089 ( -0.000 12.852 1.097) 12.899 5.195 ( -0.000 5.877 0.316) 5.886 5.614 ( 0.000 4.503 -0.162) 4.506 6.864 ( 0.000 25.019 -4.146) 25.360 7.005 ( -0.000 3.117 0.222) 3.125 8.098 ( -0.000 1.383 1.395) 1.964 8.414 ( -0.000 -0.869 1.719) 1.926 14.555 ( 0.000 -19.437 0.015) 19.437 15.455 ( 0.000 -31.849 -0.170) 31.849 15.677 ( 0.000 -20.992 -1.257) 21.029 17.897 ( 0.000 -2.097 -0.023) 2.097 20.286 ( -0.000 3.357 1.757) 3.789 21.822 ( 0.000 -0.522 -3.063) 3.107 ======================= Grid point 899 (311/417) ======================= q-point: ( 0.50 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.968 ( 5.250 34.159 0.410) 34.562 3.161 ( 19.420 24.047 0.697) 30.918 4.371 ( 2.489 9.612 -0.660) 9.951 4.463 ( -0.390 24.466 0.151) 24.470 4.906 ( 1.716 1.603 0.668) 2.442 5.196 ( 1.311 5.496 -1.948) 5.977 5.297 ( 1.426 10.708 2.704) 11.136 5.760 ( 10.561 4.684 -0.138) 11.554 6.955 ( -2.025 -3.376 1.096) 4.087 7.126 ( 0.738 19.337 -4.061) 19.772 8.039 ( -0.287 -7.639 -0.273) 7.649 8.471 ( -5.593 16.836 2.672) 17.941 14.370 ( 0.215 -19.435 -0.032) 19.436 15.110 ( -2.760 -28.966 -0.185) 29.098 15.413 ( -6.004 -19.770 -0.578) 20.669 17.890 ( 1.369 -0.701 -0.012) 1.538 20.317 ( 0.915 -1.329 0.789) 1.796 21.712 ( -7.222 -8.254 -1.349) 11.050 ======================= Grid point 900 (312/417) ======================= q-point: ( 0.56 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.410 ( 8.317 28.800 0.190) 29.977 3.812 ( 26.975 21.761 0.533) 34.662 4.507 ( 2.203 8.801 -0.565) 9.090 4.675 ( 2.218 15.655 0.113) 15.812 4.997 ( 4.467 5.745 0.764) 7.317 5.262 ( 1.021 4.602 -1.442) 4.930 5.431 ( 1.987 8.112 1.753) 8.534 6.027 ( 13.144 4.591 -0.211) 13.924 6.849 ( -3.664 -7.202 0.959) 8.137 7.256 ( 1.234 3.825 -2.903) 4.959 8.026 ( 2.321 3.823 0.209) 4.478 8.520 ( -9.640 17.726 1.494) 20.233 14.120 ( -6.886 -20.048 -0.117) 21.197 14.816 ( -1.022 -25.803 -0.178) 25.823 15.119 ( -5.673 -12.825 -0.112) 14.024 17.944 ( 3.830 2.878 0.003) 4.791 20.269 ( -2.118 -6.859 0.129) 7.179 21.410 ( -13.517 -14.441 -0.358) 19.783 ======================= Grid point 901 (313/417) ======================= q-point: ( 0.62 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.820 ( 9.261 21.739 0.067) 23.630 4.451 ( 20.654 16.020 0.449) 26.143 4.620 ( 1.417 8.955 -0.511) 9.081 4.873 ( 5.855 10.112 0.046) 11.684 5.197 ( 8.889 12.984 0.490) 15.743 5.316 ( 0.763 3.500 -0.678) 3.646 5.532 ( 1.620 5.150 0.910) 5.475 6.251 ( 6.924 2.897 -0.376) 7.515 6.699 ( -4.525 -8.324 0.549) 9.490 7.286 ( 4.684 -3.207 -1.192) 5.801 8.174 ( 4.913 10.143 0.174) 11.271 8.500 ( -9.589 11.676 0.603) 15.121 13.760 ( -10.727 -18.115 -0.107) 21.053 14.455 ( -10.228 -25.539 -0.103) 27.511 15.052 ( 4.554 -1.290 0.034) 4.733 18.084 ( 6.123 7.785 0.020) 9.904 20.107 ( -5.606 -11.394 -0.164) 12.700 20.976 ( -16.171 -18.875 0.042) 24.855 ======================= Grid point 902 (314/417) ======================= q-point: ( 0.69 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.161 ( 8.580 14.840 0.015) 17.142 4.667 ( 1.507 2.378 -0.136) 2.819 4.842 ( 6.010 10.671 0.176) 12.248 5.065 ( 4.536 7.710 -0.058) 8.946 5.359 ( 1.223 2.298 -0.276) 2.618 5.596 ( 1.842 3.508 0.325) 3.976 5.608 ( 13.937 23.679 0.296) 27.477 6.310 ( -0.384 -0.725 -0.366) 0.899 6.537 ( -4.491 -7.792 0.216) 8.996 7.376 ( 3.193 5.786 -0.178) 6.611 8.350 ( 4.127 6.523 0.007) 7.718 8.447 ( -1.153 -1.406 0.260) 1.837 13.432 ( -7.727 -13.342 -0.050) 15.418 14.002 ( -12.880 -22.294 -0.009) 25.748 15.171 ( 4.205 7.237 0.003) 8.370 18.313 ( 7.765 13.396 0.021) 15.484 19.859 ( -8.003 -13.578 -0.129) 15.761 20.503 ( -13.004 -22.746 0.060) 26.201 ======================= Grid point 903 (315/417) ======================= q-point: ( 0.75 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.411 ( 6.227 8.946 -0.002) 10.900 4.682 ( -1.067 0.143 -0.162) 1.089 4.991 ( 2.057 6.406 0.143) 6.729 5.160 ( -0.044 4.023 0.065) 4.023 5.409 ( 1.117 3.408 -0.235) 3.595 5.630 ( 1.419 -0.495 0.332) 1.539 6.076 ( 5.508 28.221 -0.091) 28.754 6.270 ( -1.750 -1.384 -0.289) 2.250 6.404 ( -2.595 -5.178 0.177) 5.794 7.455 ( -8.360 17.181 0.095) 19.107 8.392 ( 3.634 -5.821 -0.372) 6.872 8.494 ( 10.525 -11.403 0.498) 15.526 13.249 ( -0.779 -7.553 -0.007) 7.594 13.600 ( -9.397 -16.969 0.035) 19.398 15.304 ( -1.328 12.759 -0.031) 12.827 18.608 ( 6.219 19.409 -0.062) 20.381 19.569 ( -9.077 -13.339 0.225) 16.136 20.117 ( -1.485 -26.162 -0.183) 26.205 ======================= Grid point 904 (316/417) ======================= q-point: (-0.19 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.528 ( -1.759 2.837 0.047) 3.338 4.657 ( 0.127 0.235 -0.251) 0.366 5.042 ( -2.597 3.904 0.138) 4.690 5.174 ( -0.900 1.891 0.177) 2.102 5.442 ( -1.814 3.495 -0.320) 3.951 5.638 ( 1.175 -2.690 0.332) 2.954 6.242 ( -1.502 1.493 -0.427) 2.160 6.270 ( -7.271 14.261 0.013) 16.008 6.369 ( -2.860 4.612 0.190) 5.430 7.455 ( -12.489 21.582 0.124) 24.936 8.398 ( 6.386 -11.486 -0.307) 13.145 8.529 ( 9.967 -17.159 0.475) 19.850 13.230 ( 2.895 -4.721 -0.044) 5.538 13.402 ( 4.388 -7.837 0.091) 8.982 15.360 ( -7.458 12.905 -0.040) 14.905 18.810 ( -11.047 18.653 -0.200) 21.679 19.376 ( 5.921 -9.215 0.457) 10.962 19.966 ( 13.293 -23.484 -0.285) 26.987 ======================= Grid point 915 (317/417) ======================= q-point: ( 0.50 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.218 ( -0.000 22.545 0.705) 22.556 3.268 ( -0.000 32.947 0.305) 32.948 4.423 ( 0.000 7.495 -0.560) 7.515 4.718 ( -0.000 21.337 0.496) 21.343 4.882 ( -0.000 -1.090 0.315) 1.135 5.241 ( 0.000 5.862 -1.968) 6.184 5.399 ( -0.000 10.303 2.330) 10.563 5.710 ( 0.000 4.991 -0.136) 4.992 6.920 ( -0.000 -7.155 1.134) 7.244 7.252 ( 0.000 5.037 -3.629) 6.208 8.015 ( -0.000 4.931 0.121) 4.933 8.724 ( -0.000 20.533 1.897) 20.621 14.170 ( 0.000 -18.430 0.008) 18.430 14.841 ( 0.000 -28.840 -0.202) 28.840 15.265 ( 0.000 -19.359 -0.258) 19.361 17.858 ( 0.000 -1.795 -0.016) 1.795 20.302 ( -0.000 -1.604 0.352) 1.642 21.681 ( 0.000 -11.231 -0.683) 11.252 ======================= Grid point 916 (318/417) ======================= q-point: ( 0.56 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.590 ( 11.783 21.275 0.468) 24.324 3.624 ( 9.594 27.591 0.266) 29.213 4.521 ( 3.146 6.146 -0.432) 6.918 4.818 ( -2.628 7.107 0.262) 7.582 4.979 ( 4.954 9.113 0.636) 10.392 5.298 ( 0.319 5.512 -1.644) 5.761 5.502 ( 0.227 8.392 1.554) 8.538 5.852 ( 10.030 4.371 -0.118) 10.942 6.823 ( -2.101 -8.532 0.888) 8.832 7.203 ( 0.195 -11.093 -2.279) 11.326 8.138 ( -0.928 18.654 -0.014) 18.677 8.866 ( -7.031 18.877 1.056) 20.172 13.995 ( -0.719 -17.120 -0.041) 17.135 14.555 ( -0.209 -25.868 -0.149) 25.869 15.048 ( -3.091 -16.109 -0.043) 16.403 17.882 ( 4.380 -0.115 -0.006) 4.381 20.255 ( -2.684 -4.367 -0.033) 5.126 21.476 ( -8.955 -13.570 -0.147) 16.260 ======================= Grid point 917 (319/417) ======================= q-point: ( 0.62 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.926 ( 4.623 22.006 0.109) 22.487 4.201 ( 24.950 16.568 0.382) 29.952 4.640 ( 3.871 5.235 -0.438) 6.526 4.871 ( 2.964 3.896 0.260) 4.902 5.177 ( 6.529 11.252 0.478) 13.017 5.350 ( 0.085 4.844 -0.854) 4.920 5.579 ( -0.071 6.071 0.710) 6.113 6.097 ( 12.316 2.481 -0.134) 12.564 6.687 ( -3.598 -8.578 0.508) 9.316 7.098 ( 4.889 -13.843 -1.052) 14.718 8.308 ( -2.278 18.962 -0.067) 19.098 8.862 ( -13.021 15.008 0.422) 19.874 13.760 ( -7.783 -14.818 -0.106) 16.738 14.301 ( -1.858 -24.605 -0.067) 24.675 14.916 ( 4.200 -7.703 0.064) 8.773 18.015 ( 8.731 3.928 0.021) 9.574 20.108 ( -6.820 -8.462 -0.270) 10.872 21.110 ( -16.431 -14.351 0.152) 21.817 ======================= Grid point 918 (320/417) ======================= q-point: ( 0.69 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.199 ( 4.876 15.769 0.046) 16.505 4.623 ( 7.286 3.128 0.259) 7.933 4.812 ( 8.776 8.904 -0.303) 12.506 5.009 ( 8.269 3.780 0.196) 9.094 5.363 ( 1.345 2.454 -0.457) 2.836 5.527 ( 15.394 16.224 0.289) 22.367 5.625 ( -0.299 4.190 0.280) 4.210 6.261 ( 4.841 -1.281 -0.090) 5.008 6.537 ( -4.199 -7.470 0.124) 8.570 7.162 ( 15.702 -7.258 -0.308) 17.301 8.414 ( -3.821 11.716 0.099) 12.324 8.724 ( -16.856 9.758 -0.031) 19.477 13.469 ( -9.885 -10.084 -0.085) 14.122 13.967 ( -8.605 -22.134 -0.023) 23.748 15.045 ( 13.051 0.241 0.064) 13.053 18.261 ( 11.822 9.275 0.064) 15.026 19.858 ( -9.083 -12.467 -0.368) 15.429 20.636 ( -21.004 -14.104 0.262) 25.302 ======================= Grid point 919 (321/417) ======================= q-point: ( 0.75 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.411 ( 4.643 9.866 0.018) 10.904 4.681 ( 0.712 -0.878 0.056) 1.132 4.991 ( 4.476 4.980 -0.004) 6.696 5.161 ( 3.506 2.041 -0.092) 4.058 5.408 ( 2.414 2.600 0.073) 3.549 5.631 ( -1.230 1.014 -0.086) 1.596 6.075 ( 21.714 18.838 0.186) 28.747 6.269 ( -0.215 -2.230 -0.016) 2.241 6.405 ( -3.243 -4.790 -0.043) 5.784 7.455 ( 19.039 1.364 -0.093) 19.088 8.389 ( -6.885 0.250 0.391) 6.901 8.497 ( -15.153 3.427 -0.397) 15.541 13.249 ( -6.166 -4.452 -0.032) 7.605 13.601 ( -10.004 -16.612 -0.009) 19.392 15.304 ( 11.731 5.223 0.028) 12.841 18.608 ( 13.728 15.042 0.097) 20.365 19.571 ( -7.120 -14.414 -0.343) 16.080 20.116 ( -21.837 -14.439 0.238) 26.180 ======================= Grid point 920 (322/417) ======================= q-point: ( 0.81 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.559 ( 3.226 5.587 -0.000) 6.451 4.654 ( -1.491 -2.583 -0.000) 2.983 5.096 ( 2.315 4.010 -0.000) 4.631 5.172 ( -1.011 -1.751 -0.000) 2.022 5.495 ( 2.437 4.221 -0.000) 4.874 5.598 ( -1.441 -2.497 0.000) 2.883 6.244 ( -0.301 -0.522 -0.000) 0.603 6.307 ( -1.114 -1.930 -0.000) 2.228 6.564 ( 8.307 14.388 -0.000) 16.614 7.760 ( 5.874 10.174 -0.000) 11.747 8.225 ( -3.006 -5.206 -0.000) 6.011 8.304 ( -4.888 -8.467 -0.000) 9.777 13.182 ( 0.504 0.874 -0.000) 1.009 13.320 ( -5.781 -10.014 -0.000) 11.563 15.500 ( 3.224 5.585 -0.000) 6.449 19.027 ( 12.343 21.379 -0.000) 24.686 19.352 ( -5.029 -8.710 -0.000) 10.057 19.622 ( -11.922 -20.649 -0.000) 23.843 ======================= Grid point 933 (323/417) ======================= q-point: ( 0.56 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.617 ( -0.000 16.766 0.509) 16.774 3.879 ( -0.000 27.205 0.072) 27.205 4.546 ( 0.000 4.870 -0.197) 4.874 4.848 ( 0.000 -2.230 0.004) 2.230 5.065 ( -0.000 13.604 0.742) 13.624 5.349 ( 0.000 5.682 -1.424) 5.857 5.584 ( -0.000 7.276 1.032) 7.349 5.806 ( 0.000 4.413 -0.104) 4.414 6.755 ( -0.000 -8.955 0.604) 8.976 7.043 ( 0.000 -17.898 -1.240) 17.941 8.369 ( -0.000 23.100 -0.220) 23.101 9.111 ( -0.000 16.404 0.564) 16.414 13.835 ( 0.000 -14.458 0.014) 14.458 14.315 ( 0.000 -22.827 -0.163) 22.828 14.913 ( 0.000 -15.229 0.044) 15.229 17.827 ( 0.000 -1.259 -0.013) 1.259 20.249 ( 0.000 -3.156 -0.220) 3.164 21.422 ( 0.000 -13.147 0.095) 13.148 ======================= Grid point 934 (324/417) ======================= q-point: ( 0.62 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.926 ( 16.256 13.229 0.418) 20.963 4.143 ( 2.116 21.587 -0.027) 21.690 4.617 ( 3.066 3.546 -0.084) 4.688 4.840 ( 1.865 -1.323 -0.049) 2.287 5.210 ( 2.556 10.237 0.442) 10.560 5.402 ( -0.115 5.633 -0.749) 5.684 5.646 ( -0.493 5.477 0.382) 5.512 5.929 ( 8.885 3.110 -0.070) 9.413 6.651 ( -1.888 -8.268 0.207) 8.483 6.872 ( 2.243 -17.661 -0.358) 17.806 8.565 ( -3.056 20.093 -0.149) 20.325 9.190 ( -7.694 12.484 0.107) 14.664 13.708 ( -0.806 -10.824 -0.030) 10.854 14.089 ( -1.316 -19.844 -0.090) 19.887 14.778 ( 1.068 -10.472 0.082) 10.527 17.883 ( 7.450 0.233 0.003) 7.454 20.164 ( -5.932 -4.107 -0.361) 7.223 21.213 ( -9.534 -11.587 0.270) 15.007 ======================= Grid point 935 (325/417) ======================= q-point: ( 0.69 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.285 ( 4.804 13.616 0.165) 14.440 4.452 ( 16.398 7.096 0.240) 17.869 4.727 ( 7.173 4.000 -0.196) 8.215 4.895 ( 5.481 -0.524 0.057) 5.507 5.349 ( 3.370 4.225 -0.480) 5.426 5.486 ( 4.138 8.980 0.315) 9.892 5.678 ( -0.947 3.509 -0.088) 3.636 6.125 ( 9.578 0.353 0.141) 9.586 6.531 ( -3.155 -6.450 -0.215) 7.184 6.818 ( 10.670 -11.852 0.157) 15.948 8.650 ( -6.719 13.323 0.062) 14.921 9.100 ( -14.339 8.118 -0.269) 16.479 13.556 ( -7.744 -4.721 -0.083) 9.070 13.860 ( -3.313 -18.455 -0.024) 18.750 14.802 ( 10.734 -3.706 0.096) 11.356 18.089 ( 14.018 3.056 0.050) 14.348 19.955 ( -11.936 -5.861 -0.441) 13.305 20.871 ( -17.633 -8.763 0.351) 19.694 ======================= Grid point 936 (326/417) ======================= q-point: ( 0.75 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.442 ( 2.230 7.693 0.025) 8.010 4.634 ( 3.860 -1.332 0.276) 4.092 4.941 ( 6.097 3.670 -0.199) 7.119 5.045 ( 12.031 0.284 0.043) 12.035 5.396 ( 0.876 0.998 0.023) 1.328 5.673 ( -1.307 1.714 -0.429) 2.198 5.806 ( 20.513 8.020 0.107) 22.026 6.224 ( 3.091 -1.588 0.546) 3.518 6.421 ( -3.401 -3.469 -0.403) 4.874 7.040 ( 22.586 -3.709 0.056) 22.888 8.591 ( -10.670 4.967 0.268) 11.773 8.863 ( -19.147 3.629 -0.509) 19.495 13.369 ( -9.987 -0.174 -0.040) 9.988 13.609 ( -7.185 -11.847 -0.047) 13.855 15.052 ( 18.053 0.241 0.078) 18.055 18.419 ( 18.671 4.990 0.125) 19.326 19.652 ( -14.689 -6.202 -0.476) 15.951 20.439 ( -23.579 -5.205 0.354) 24.149 ======================= Grid point 951 (327/417) ======================= q-point: ( 0.62 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.885 ( -0.000 9.421 0.291) 9.426 4.330 ( -0.000 16.623 -0.046) 16.623 4.619 ( -0.000 2.471 0.200) 2.479 4.799 ( 0.000 -2.270 -0.301) 2.290 5.279 ( -0.000 7.104 0.042) 7.105 5.462 ( 0.000 6.104 -0.211) 6.108 5.698 ( 0.000 3.604 -0.069) 3.605 5.878 ( 0.000 2.584 -0.094) 2.585 6.591 ( 0.000 -6.812 -0.304) 6.818 6.680 ( -0.000 -15.715 0.589) 15.726 8.777 ( -0.000 15.640 -0.003) 15.640 9.362 ( 0.000 8.186 -0.269) 8.191 13.606 ( 0.000 -7.981 0.022) 7.981 13.948 ( 0.000 -12.908 -0.090) 12.909 14.670 ( 0.000 -8.532 0.080) 8.533 17.808 ( 0.000 -0.619 -0.006) 0.619 20.191 ( 0.000 -2.103 -0.436) 2.148 21.196 ( -0.000 -8.530 0.370) 8.538 ======================= Grid point 952 (328/417) ======================= q-point: ( 0.69 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.115 ( 16.731 4.951 0.259) 17.450 4.449 ( -0.771 8.014 -0.023) 8.051 4.665 ( 3.022 1.256 0.270) 3.284 4.811 ( 3.365 -0.944 -0.325) 3.510 5.343 ( 1.498 2.857 -0.597) 3.281 5.524 ( 0.624 5.308 0.356) 5.356 5.717 ( -0.536 1.353 -0.403) 1.510 5.971 ( 7.842 1.075 0.034) 7.916 6.517 ( -1.538 -4.452 -0.922) 4.800 6.587 ( 3.911 -8.267 1.394) 9.251 8.863 ( -4.236 8.357 0.235) 9.372 9.354 ( -7.673 3.805 -0.612) 8.586 13.575 ( 2.208 -2.601 -0.012) 3.412 13.791 ( -5.977 -8.649 -0.037) 10.513 14.635 ( 4.063 -3.647 0.079) 5.460 17.888 ( 9.462 0.173 0.019) 9.464 20.103 ( -8.022 -1.554 -0.480) 8.185 21.046 ( -9.607 -4.547 0.419) 10.637 ======================= Grid point 954 (329/417) ======================= q-point: (-0.25 -0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.469 ( 12.217 -4.302 0.228) 12.954 4.473 ( 3.809 4.144 0.118) 5.630 4.786 ( 11.687 0.477 0.284) 11.700 4.878 ( 4.577 -0.359 -0.335) 4.603 5.384 ( 1.665 0.134 -0.490) 1.740 5.604 ( 6.441 -0.058 0.142) 6.442 5.706 ( -1.032 -0.595 -0.540) 1.308 6.127 ( 7.877 0.347 0.628) 7.909 6.453 ( -2.678 -0.542 -0.897) 2.876 6.695 ( 13.366 0.560 0.871) 13.406 8.796 ( -8.476 0.301 0.397) 8.490 9.175 ( -14.391 -0.419 -0.796) 14.419 13.572 ( -11.486 0.419 -0.008) 11.494 13.604 ( -0.138 -0.344 -0.063) 0.376 14.765 ( 13.004 -0.022 0.095) 13.004 18.123 ( 16.509 0.015 0.076) 16.509 19.892 ( -14.379 0.122 -0.486) 14.388 20.781 ( -17.925 -0.073 0.410) 17.930 ======================= Grid point 970 (330/417) ======================= q-point: (-0.31 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.982 ( -0.000 -0.255 0.130) 0.286 4.505 ( -0.000 0.071 0.028) 0.076 4.647 ( -0.000 0.203 0.467) 0.509 4.771 ( 0.000 -0.067 -0.485) 0.489 5.342 ( 0.000 -0.450 -0.841) 0.954 5.552 ( -0.000 0.488 0.518) 0.712 5.723 ( 0.000 -0.531 -0.617) 0.814 5.904 ( 0.000 0.016 -0.097) 0.098 6.487 ( 0.000 -0.868 -0.328) 0.928 6.535 ( -0.000 1.158 1.190) 1.660 8.947 ( -0.000 0.401 0.433) 0.590 9.435 ( 0.000 -0.497 -0.894) 1.023 13.524 ( -0.000 -0.043 0.015) 0.046 13.816 ( 0.000 0.113 -0.015) 0.114 14.583 ( -0.000 -0.016 0.060) 0.062 17.802 ( -0.000 0.044 0.011) 0.045 20.168 ( 0.000 0.071 -0.501) 0.506 21.108 ( -0.000 -0.046 0.454) 0.456 ======================= Grid point 971 (331/417) ======================= q-point: (-0.25 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.111 ( 16.739 -5.432 0.152) 17.599 4.449 ( -0.762 -7.964 0.003) 8.000 4.673 ( 3.175 -0.728 0.513) 3.298 4.806 ( 3.238 0.666 -0.491) 3.342 5.333 ( 1.794 -3.579 -0.842) 4.091 5.535 ( 0.285 -4.013 0.711) 4.085 5.702 ( -0.521 -2.705 -0.832) 2.877 5.973 ( 8.084 -0.951 0.082) 8.140 6.498 ( -1.191 3.502 -0.876) 3.801 6.614 ( 3.339 9.643 1.513) 10.316 8.872 ( -4.294 -7.763 0.481) 8.885 9.341 ( -7.620 -4.643 -0.960) 8.975 13.575 ( 2.283 2.586 -0.020) 3.450 13.793 ( -6.056 8.806 0.004) 10.687 14.635 ( 4.063 3.633 0.080) 5.450 17.889 ( 9.455 -0.100 0.041) 9.456 20.102 ( -7.992 1.699 -0.493) 8.186 21.047 ( -9.628 4.463 0.442) 10.622 ======================= Grid point 988 (332/417) ======================= q-point: (-0.25 -0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.877 ( 0.000 -9.839 0.083) 9.839 4.330 ( 0.000 -16.793 -0.044) 16.793 4.631 ( -0.000 -2.068 0.556) 2.141 4.792 ( 0.000 2.059 -0.538) 2.128 5.259 ( 0.000 -7.178 -0.428) 7.191 5.493 ( -0.000 -4.746 0.687) 4.795 5.665 ( 0.000 -5.238 -0.992) 5.331 5.878 ( 0.000 -2.539 -0.097) 2.541 6.561 ( 0.000 6.626 -0.693) 6.662 6.726 ( -0.000 16.316 1.351) 16.372 8.792 ( -0.000 -15.345 0.409) 15.350 9.338 ( 0.000 -8.856 -0.897) 8.902 13.604 ( -0.000 7.895 -0.018) 7.895 13.953 ( -0.000 13.107 0.015) 13.107 14.671 ( -0.000 8.603 0.096) 8.604 17.809 ( -0.000 0.702 0.040) 0.703 20.189 ( 0.000 2.164 -0.483) 2.217 21.199 ( -0.000 8.529 0.431) 8.540 ======================= Grid point 1109 (333/417) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.153 ( -0.000 0.000 4.539) 4.539 0.153 ( -0.000 0.000 4.539) 4.539 0.365 ( -0.000 0.000 8.538) 8.538 3.645 ( 0.000 -0.000 -0.556) 0.556 3.645 ( 0.000 -0.000 -0.556) 0.556 4.866 ( -0.000 0.000 0.461) 0.461 4.866 ( -0.000 0.000 0.461) 0.461 5.406 ( 0.000 -0.000 -1.268) 1.268 5.408 ( 0.000 -0.000 -0.158) 0.158 5.408 ( 0.000 -0.000 -0.158) 0.158 8.273 ( -0.000 0.000 1.884) 1.884 9.581 ( 0.000 -0.000 -0.091) 0.091 15.518 ( -0.000 0.000 0.020) 0.020 15.518 ( -0.000 0.000 0.020) 0.020 17.388 ( -0.000 0.000 0.056) 0.056 18.015 ( 0.000 -0.000 -0.009) 0.009 18.015 ( 0.000 -0.000 -0.009) 0.009 19.608 ( 0.000 -0.000 -0.669) 0.669 ======================= Grid point 1110 (334/417) ======================= q-point: ( 0.31 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 16.590 9.578 4.740) 19.734 0.767 ( 30.770 17.765 0.950) 35.543 1.222 ( 51.514 29.741 0.549) 59.485 3.694 ( 4.372 2.524 -0.541) 5.078 3.833 ( 14.612 8.436 0.439) 16.878 4.872 ( 0.271 0.157 0.423) 0.526 5.183 ( 4.076 2.353 -7.121) 8.536 5.421 ( 1.242 0.717 -0.129) 1.440 5.487 ( 13.120 7.575 -5.643) 16.166 5.742 ( 23.989 13.850 -2.275) 27.793 8.120 ( -7.432 -4.291 10.444) 13.517 9.381 ( -11.527 -6.655 -3.775) 13.835 15.444 ( -6.187 -3.572 0.048) 7.144 16.658 ( 8.673 5.008 -24.327) 26.308 17.556 ( -28.009 -16.171 1.822) 32.393 18.008 ( -0.712 -0.411 -0.036) 0.822 18.658 ( 97.896 56.520 -25.781) 115.943 19.875 ( 20.716 11.960 -14.963) 28.215 ======================= Grid point 1111 (335/417) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 29.228 16.875 1.692) 33.792 1.473 ( 29.632 17.108 0.543) 34.220 2.385 ( 47.906 27.659 -0.129) 55.318 3.836 ( 7.736 4.466 -0.509) 8.947 4.247 ( 19.100 11.028 2.862) 22.240 4.881 ( 0.409 0.236 0.348) 0.587 5.159 ( -1.490 -0.860 -2.293) 2.867 5.463 ( 2.309 1.333 -0.065) 2.668 5.889 ( 20.193 11.659 -8.077) 24.676 6.300 ( 23.491 13.563 0.302) 27.127 8.004 ( -4.852 -2.801 9.702) 11.203 9.072 ( -14.072 -8.125 -5.125) 17.039 15.238 ( -11.464 -6.619 0.115) 13.238 16.477 ( -13.325 -7.693 -8.905) 17.777 16.841 ( -31.311 -18.077 0.052) 36.155 17.983 ( -1.376 -0.794 -0.100) 1.592 19.935 ( 17.760 10.254 10.482) 23.031 20.755 ( 51.890 29.958 -30.725) 67.335 ======================= Grid point 1112 (336/417) ======================= q-point: ( 0.44 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 32.078 18.521 0.656) 37.047 2.134 ( 27.097 15.644 0.385) 31.291 3.410 ( 39.873 23.021 -0.841) 46.049 4.036 ( 9.178 5.299 -0.479) 10.609 4.677 ( 16.512 9.533 4.666) 19.629 4.891 ( 0.346 0.200 0.302) 0.501 5.152 ( 1.588 0.917 -1.632) 2.455 5.527 ( 3.162 1.826 -0.009) 3.651 6.358 ( 21.722 12.541 -6.728) 25.969 6.789 ( 16.805 9.702 0.591) 19.413 7.957 ( 0.306 0.177 7.495) 7.504 8.725 ( -14.317 -8.266 -3.587) 16.917 14.925 ( -15.184 -8.766 0.185) 17.533 16.096 ( -18.956 -10.944 -2.280) 22.007 16.137 ( -27.934 -16.128 -1.880) 32.310 17.945 ( -1.790 -1.033 -0.167) 2.073 20.205 ( 6.993 4.037 3.336) 8.737 21.568 ( 21.643 12.495 -8.659) 26.448 ======================= Grid point 1113 (337/417) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 31.191 18.008 0.283) 36.017 2.725 ( 23.649 13.654 0.264) 27.309 4.207 ( 28.705 16.573 -1.299) 33.171 4.244 ( 8.595 4.963 -0.468) 9.936 4.895 ( -0.169 -0.098 0.313) 0.369 5.004 ( 10.330 5.964 3.959) 12.568 5.239 ( 6.327 3.653 -0.735) 7.343 5.609 ( 3.937 2.273 0.024) 4.546 6.863 ( 22.019 12.712 -4.197) 25.769 7.004 ( 1.615 0.933 0.367) 1.901 8.036 ( 0.921 0.532 3.695) 3.845 8.488 ( -0.631 -0.364 -1.021) 1.254 14.550 ( -16.774 -9.685 0.214) 19.371 15.461 ( -27.910 -16.114 -0.367) 32.229 15.683 ( -18.179 -10.496 -1.534) 21.047 17.902 ( -1.869 -1.079 -0.197) 2.167 20.306 ( 1.654 0.955 0.980) 2.147 21.795 ( 0.825 0.476 -2.036) 2.247 ======================= Grid point 1114 (338/417) ======================= q-point: ( 0.56 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.227 ( 19.455 11.232 0.145) 22.465 3.271 ( 28.403 16.398 0.144) 32.797 4.422 ( 6.672 3.852 -0.482) 7.719 4.744 ( 18.315 10.574 -1.171) 21.180 4.881 ( -1.135 -0.655 0.368) 1.361 5.191 ( 6.325 3.652 1.521) 7.460 5.419 ( 8.039 4.641 0.787) 9.316 5.707 ( 4.353 2.513 0.049) 5.026 6.928 ( -6.498 -3.751 0.821) 7.548 7.232 ( 4.408 2.545 -2.513) 5.677 8.009 ( 5.506 3.179 0.466) 6.375 8.739 ( 16.540 9.549 0.908) 19.120 14.167 ( -15.882 -9.170 0.181) 18.340 14.842 ( -25.119 -14.502 -0.266) 29.006 15.270 ( -16.845 -9.726 -0.565) 19.460 17.860 ( -1.618 -0.934 -0.172) 1.877 20.301 ( -1.847 -1.067 0.387) 2.168 21.678 ( -9.228 -5.328 -0.508) 10.667 ======================= Grid point 1115 (339/417) ======================= q-point: ( 0.62 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.622 ( 14.465 8.351 0.027) 16.702 3.879 ( 23.479 13.556 0.097) 27.112 4.549 ( 4.377 2.527 -0.509) 5.080 4.844 ( -2.079 -1.201 0.440) 2.441 5.079 ( 11.322 6.537 -0.564) 13.086 5.331 ( 5.732 3.310 0.325) 6.627 5.584 ( 5.895 3.403 0.951) 6.873 5.804 ( 3.830 2.211 0.075) 4.423 6.753 ( -8.090 -4.671 0.797) 9.375 7.045 ( -14.749 -8.515 -1.403) 17.088 8.369 ( 20.016 11.556 -0.251) 23.114 9.109 ( 13.856 8.000 0.806) 16.020 13.834 ( -12.462 -7.195 0.101) 14.390 14.314 ( -19.814 -11.439 -0.112) 22.879 14.916 ( -13.249 -7.649 -0.219) 15.300 17.828 ( -1.136 -0.656 -0.107) 1.316 20.242 ( -2.895 -1.671 0.370) 3.363 21.427 ( -11.194 -6.463 -0.333) 12.930 ======================= Grid point 1116 (340/417) ======================= q-point: ( 0.69 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.888 ( 8.130 4.694 -0.084) 9.388 4.330 ( 14.424 8.328 0.042) 16.656 4.624 ( 2.216 1.280 -0.529) 2.613 4.794 ( -2.034 -1.175 0.513) 2.405 5.276 ( 5.525 3.190 0.468) 6.396 5.464 ( 5.810 3.354 -0.533) 6.730 5.692 ( 2.972 1.716 0.832) 3.532 5.876 ( 2.237 1.292 0.097) 2.585 6.581 ( -6.338 -3.659 0.996) 7.386 6.696 ( -12.904 -7.450 -1.690) 14.996 8.780 ( 13.690 7.904 -0.368) 15.813 9.354 ( 6.876 3.970 0.860) 7.986 13.606 ( -6.889 -3.978 0.018) 7.955 13.948 ( -11.176 -6.452 -0.014) 12.905 14.671 ( -7.420 -4.284 -0.096) 8.568 17.808 ( -0.551 -0.318 -0.040) 0.638 20.185 ( -1.864 -1.076 0.479) 2.205 21.202 ( -7.332 -4.233 -0.428) 8.478 ======================= Grid point 1117 (341/417) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.983 ( -0.240 -0.138 -0.142) 0.311 4.505 ( 0.068 0.039 -0.033) 0.085 4.651 ( 0.198 0.114 -0.540) 0.587 4.767 ( -0.070 -0.041 0.559) 0.565 5.336 ( -0.422 -0.244 0.908) 1.030 5.556 ( 0.481 0.277 -0.591) 0.811 5.719 ( -0.518 -0.299 0.700) 0.921 5.903 ( 0.015 0.009 0.106) 0.107 6.485 ( -0.667 -0.385 0.233) 0.805 6.542 ( 0.934 0.539 -1.162) 1.585 8.950 ( 0.385 0.222 -0.482) 0.656 9.429 ( -0.475 -0.274 0.981) 1.124 13.524 ( -0.040 -0.023 -0.017) 0.049 13.816 ( 0.106 0.061 0.016) 0.124 14.583 ( -0.015 -0.009 -0.064) 0.067 17.802 ( 0.041 0.024 -0.012) 0.049 20.165 ( 0.066 0.038 0.538) 0.543 21.111 ( -0.043 -0.025 -0.488) 0.490 ======================= Grid point 1126 (342/417) ======================= q-point: ( 0.31 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( -0.000 18.242 4.632) 18.821 0.749 ( -0.000 35.422 1.180) 35.441 1.234 ( -0.000 58.426 0.455) 58.428 3.698 ( 0.000 5.280 -0.588) 5.312 3.849 ( -0.000 18.494 0.059) 18.495 4.868 ( -0.000 0.107 0.466) 0.479 5.180 ( 0.000 6.865 -7.803) 10.393 5.424 ( 0.000 1.580 -0.163) 1.589 5.465 ( 0.000 14.392 -5.108) 15.271 5.704 ( -0.000 24.684 -0.028) 24.684 8.131 ( -0.000 -9.129 9.793) 13.388 9.374 ( 0.000 -13.785 -3.494) 14.221 15.448 ( 0.000 -6.994 0.008) 6.994 16.604 ( 0.000 13.248 -23.386) 26.878 17.570 ( -0.000 -35.100 1.488) 35.132 18.004 ( 0.000 -0.958 0.001) 0.958 18.487 ( 0.000 101.530 -17.626) 103.048 19.960 ( 0.000 35.587 -16.831) 39.366 ======================= Grid point 1127 (343/417) ======================= q-point: ( 0.38 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 16.189 26.305 2.423) 30.982 1.381 ( 20.121 33.356 0.780) 38.963 2.033 ( 27.028 46.333 -0.095) 53.640 3.806 ( 4.158 7.840 -0.679) 8.901 4.136 ( 9.624 19.510 1.972) 21.844 4.882 ( 0.793 0.849 0.437) 1.241 5.158 ( -1.605 -2.091 -2.655) 3.741 5.490 ( 2.273 4.628 -0.255) 5.162 5.745 ( 11.101 19.521 -7.778) 23.765 6.103 ( 15.188 21.865 0.568) 26.628 8.045 ( -2.664 -6.362 9.610) 11.829 9.146 ( -7.867 -13.714 -4.969) 16.573 15.318 ( -5.500 -9.095 0.054) 10.629 16.524 ( -5.787 -10.266 -10.895) 16.049 17.031 ( -18.333 -32.553 0.561) 37.365 17.970 ( -0.819 -1.842 -0.058) 2.017 19.702 ( 31.576 31.450 8.707) 45.409 20.476 ( 18.015 55.756 -33.138) 67.316 ======================= Grid point 1128 (344/417) ======================= q-point: ( 0.44 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 25.838 25.993 0.989) 36.663 2.043 ( 16.757 34.037 0.479) 37.942 2.989 ( 35.650 31.377 -0.645) 47.496 3.980 ( 5.934 9.232 -0.555) 10.988 4.526 ( 13.384 13.876 3.802) 19.651 4.913 ( 0.387 3.278 0.556) 3.347 5.126 ( 0.742 -0.766 -1.719) 2.023 5.576 ( 0.070 8.550 -0.031) 8.550 6.156 ( 16.124 17.541 -6.723) 24.756 6.589 ( 17.626 14.472 0.717) 22.817 7.969 ( -1.552 -3.514 7.709) 8.613 8.832 ( -10.961 -13.254 -4.017) 17.662 15.078 ( -11.252 -9.340 0.129) 14.624 16.218 ( -11.767 -14.907 -4.576) 19.535 16.369 ( -22.427 -26.869 -0.460) 35.002 17.940 ( -0.234 -2.459 -0.094) 2.471 20.170 ( 7.425 9.586 5.340) 13.250 21.311 ( 23.718 28.034 -13.387) 39.085 ======================= Grid point 1129 (345/417) ======================= q-point: ( 0.50 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 27.853 24.186 0.395) 36.891 2.645 ( 14.135 31.884 0.241) 34.878 3.842 ( 31.879 19.801 -1.038) 37.543 4.183 ( 6.618 9.090 -0.457) 11.254 4.829 ( 8.245 3.293 2.397) 9.196 4.986 ( 2.165 8.707 2.289) 9.259 5.174 ( 4.540 2.500 -1.370) 5.361 5.665 ( -1.045 10.882 0.025) 10.932 6.625 ( 19.589 16.019 -4.603) 25.720 6.932 ( 8.826 3.971 0.311) 9.683 7.998 ( 4.476 1.462 5.347) 7.125 8.514 ( -8.472 -10.893 -2.503) 14.025 14.748 ( -15.619 -9.205 0.170) 18.130 15.722 ( -23.434 -21.886 -0.351) 32.067 15.825 ( -14.108 -16.262 -2.000) 21.622 17.913 ( -0.578 -1.445 -0.145) 1.563 20.314 ( 1.016 4.674 1.411) 4.987 21.713 ( 7.995 2.824 -3.245) 9.079 ======================= Grid point 1130 (346/417) ======================= q-point: ( 0.56 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.973 ( 26.919 21.451 0.160) 34.421 3.171 ( 11.209 28.670 0.075) 30.783 4.366 ( 7.003 6.981 -0.327) 9.894 4.483 ( 21.654 11.436 -1.102) 24.513 4.911 ( 0.562 2.503 0.328) 2.586 5.139 ( 4.765 5.502 2.062) 7.565 5.330 ( 7.778 5.366 0.242) 9.453 5.758 ( -1.267 11.629 0.003) 11.697 6.970 ( -2.577 -4.061 0.555) 4.841 7.096 ( 16.303 10.670 -2.628) 19.661 8.012 ( -3.970 -2.437 1.440) 4.876 8.510 ( 15.325 1.905 0.157) 15.443 14.367 ( -16.910 -9.478 0.153) 19.385 15.113 ( -23.903 -16.954 -0.321) 29.307 15.415 ( -13.994 -15.130 -0.703) 20.622 17.892 ( -1.300 0.767 -0.154) 1.518 20.323 ( -2.143 -0.425 0.392) 2.220 21.700 ( -2.978 -9.674 -0.671) 10.144 ======================= Grid point 1131 (347/417) ======================= q-point: ( 0.62 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.596 ( 13.682 20.128 -0.096) 24.338 3.626 ( 17.871 22.668 0.129) 28.866 4.520 ( 3.936 5.770 -0.331) 6.993 4.822 ( 6.592 0.947 -0.136) 6.661 4.990 ( 5.980 8.941 -0.396) 10.763 5.272 ( 5.042 3.807 0.806) 6.369 5.509 ( 6.865 3.893 0.747) 7.927 5.851 ( -1.267 10.968 -0.009) 11.041 6.828 ( -6.603 -6.245 0.504) 9.103 7.189 ( -8.959 -4.915 -1.040) 10.272 8.138 ( 16.602 8.547 -0.039) 18.673 8.871 ( 19.388 2.966 0.600) 19.623 13.994 ( -14.420 -9.171 0.101) 17.089 14.555 ( -22.383 -13.118 -0.139) 25.944 15.050 ( -12.398 -10.775 -0.269) 16.428 17.883 ( -2.320 3.708 -0.117) 4.375 20.251 ( -2.687 -4.653 0.297) 5.381 21.477 ( -7.011 -14.348 -0.279) 15.972 ======================= Grid point 1132 (348/417) ======================= q-point: ( 0.69 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.930 ( 3.275 20.719 -0.170) 20.977 4.142 ( 17.630 12.609 0.075) 21.675 4.619 ( 1.699 4.357 -0.353) 4.690 4.837 ( -2.272 1.037 0.320) 2.518 5.213 ( 7.177 6.828 -0.014) 9.906 5.398 ( 5.437 3.296 -0.074) 6.358 5.644 ( 4.802 2.122 0.710) 5.298 5.928 ( -1.778 9.348 -0.008) 9.515 6.648 ( -6.530 -5.910 0.656) 8.831 6.877 ( -15.802 -6.704 -1.022) 17.196 8.565 ( 18.992 7.465 -0.219) 20.407 9.186 ( 14.440 -0.554 0.646) 14.465 13.708 ( -8.933 -6.130 0.051) 10.834 14.089 ( -16.549 -11.040 -0.022) 19.894 14.780 ( -9.622 -4.326 -0.131) 10.550 17.884 ( -3.545 6.572 -0.065) 7.467 20.158 ( -0.672 -7.226 0.427) 7.270 21.217 ( -5.173 -14.006 -0.366) 14.935 ======================= Grid point 1133 (349/417) ======================= q-point: ( 0.75 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.117 ( -4.121 16.994 -0.224) 17.488 4.449 ( 7.344 3.343 0.013) 8.069 4.667 ( -0.338 3.230 -0.414) 3.274 4.809 ( -2.568 2.467 0.433) 3.588 5.338 ( 1.609 2.637 0.774) 3.185 5.527 ( 4.308 3.218 -0.541) 5.405 5.713 ( 1.391 0.191 0.643) 1.544 5.971 ( -3.019 7.445 -0.060) 8.034 6.511 ( -3.295 -3.561 1.032) 4.960 6.598 ( -8.745 -0.816 -1.643) 8.936 8.865 ( 9.437 0.556 -0.376) 9.461 9.349 ( 7.023 -4.789 0.841) 8.542 13.575 ( -3.340 0.595 0.017) 3.392 13.791 ( -4.501 -9.492 0.017) 10.505 14.636 ( -5.201 1.698 -0.086) 5.472 17.888 ( -4.588 8.293 -0.032) 9.477 20.099 ( 2.658 -7.726 0.524) 8.187 21.049 ( 0.879 -10.594 -0.463) 10.641 ======================= Grid point 1143 (350/417) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -0.000 33.613 1.779) 33.660 1.457 ( -0.000 34.215 0.934) 34.228 2.374 ( -0.000 54.215 0.161) 54.215 3.842 ( 0.000 9.060 -0.659) 9.084 4.296 ( -0.000 23.572 1.843) 23.644 4.875 ( -0.000 0.374 0.487) 0.614 5.156 ( 0.000 -1.973 -2.351) 3.069 5.468 ( 0.000 2.742 -0.180) 2.748 5.857 ( 0.000 23.482 -7.831) 24.754 6.262 ( -0.000 28.753 2.022) 28.824 8.023 ( -0.000 -5.937 9.085) 10.853 9.047 ( 0.000 -16.637 -4.592) 17.259 15.243 ( 0.000 -13.151 -0.023) 13.152 16.436 ( 0.000 -13.955 -8.104) 16.138 16.831 ( 0.000 -36.551 0.499) 36.555 17.978 ( 0.000 -1.664 0.025) 1.664 19.764 ( -0.000 29.663 9.342) 31.099 20.860 ( 0.000 55.271 -26.903) 61.471 ======================= Grid point 1144 (351/417) ======================= q-point: ( 0.44 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 10.252 35.207 1.165) 36.688 2.036 ( 21.837 31.285 0.750) 38.160 2.977 ( 10.118 45.895 -0.146) 46.997 3.984 ( 4.625 9.919 -0.686) 10.966 4.556 ( 3.339 19.409 2.701) 19.878 4.914 ( 3.113 2.402 0.618) 3.980 5.120 ( -1.103 -0.280 -1.603) 1.966 5.579 ( 7.105 4.399 -0.160) 8.358 6.144 ( 7.111 22.916 -6.374) 24.826 6.580 ( 4.727 22.969 1.171) 23.479 7.978 ( -1.512 -2.999 7.415) 8.140 8.816 ( -5.556 -16.730 -3.512) 17.975 15.081 ( -2.700 -14.305 -0.001) 14.558 16.204 ( -6.676 -17.683 -4.133) 19.348 16.366 ( -11.652 -32.641 -0.181) 34.659 17.937 ( -1.792 -1.511 0.015) 2.345 20.121 ( 10.269 11.838 6.604) 17.006 21.351 ( 6.389 35.098 -14.211) 38.401 ======================= Grid point 1145 (352/417) ======================= q-point: ( 0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 18.754 32.112 0.569) 37.192 2.726 ( 19.001 32.392 0.541) 37.558 3.616 ( 18.332 30.766 -0.545) 35.818 4.177 ( 5.735 10.226 -0.575) 11.739 4.774 ( 4.408 8.450 2.159) 9.773 5.039 ( 3.567 8.912 1.995) 9.804 5.127 ( 2.266 1.662 -1.690) 3.279 5.757 ( 4.959 8.737 -0.063) 10.046 6.521 ( 11.923 20.978 -4.405) 24.528 6.852 ( 5.895 10.049 0.337) 11.655 7.975 ( 1.077 2.616 5.057) 5.794 8.524 ( -8.021 -15.495 -2.109) 17.575 14.851 ( -8.001 -13.618 0.038) 15.795 15.816 ( -14.220 -26.138 0.089) 29.756 15.857 ( -12.198 -20.061 -2.267) 23.587 17.904 ( -0.441 -0.930 -0.027) 1.029 20.334 ( 3.736 4.514 2.333) 6.307 21.644 ( 3.539 8.494 -4.529) 10.256 ======================= Grid point 1146 (353/417) ======================= q-point: ( 0.56 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 21.478 27.474 0.215) 34.873 3.328 ( 11.346 34.492 0.257) 36.312 4.190 ( 19.488 15.012 -0.542) 24.605 4.384 ( 6.546 11.091 -0.516) 12.889 4.903 ( 3.486 4.083 0.819) 5.431 5.150 ( 1.446 5.541 0.997) 5.813 5.266 ( 6.633 7.013 0.328) 9.658 5.913 ( 0.505 12.633 -0.110) 12.644 6.940 ( 11.572 11.578 -0.799) 16.389 6.950 ( 3.460 2.528 -1.430) 4.518 8.072 ( -1.372 3.722 2.971) 4.956 8.296 ( 3.972 -8.633 -1.215) 9.580 14.521 ( -13.507 -14.534 0.038) 19.842 15.319 ( -18.346 -16.382 -0.314) 24.597 15.443 ( -10.344 -20.835 -0.657) 23.271 17.906 ( 0.585 1.051 -0.065) 1.204 20.366 ( -2.241 -0.432 0.533) 2.343 21.633 ( -2.493 -9.509 -0.993) 9.880 ======================= Grid point 1147 (354/417) ======================= q-point: ( 0.62 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.412 ( 20.794 21.528 0.051) 29.931 3.818 ( 5.475 34.120 0.009) 34.556 4.501 ( 6.451 6.271 -0.082) 8.997 4.683 ( 12.534 9.483 -0.592) 15.728 5.005 ( 2.950 6.697 0.087) 7.319 5.242 ( 3.226 4.189 0.524) 5.313 5.441 ( 6.006 5.134 0.747) 7.936 6.026 ( -2.611 13.699 -0.165) 13.946 6.857 ( -4.391 -7.019 0.244) 8.283 7.233 ( 2.479 3.558 -0.873) 4.423 8.025 ( 2.764 4.370 0.364) 5.184 8.532 ( 19.637 -0.228 0.347) 19.642 14.118 ( -13.942 -15.949 0.029) 21.184 14.816 ( -21.881 -13.852 -0.198) 25.898 15.119 ( -8.183 -11.295 -0.178) 13.949 17.945 ( 0.591 4.725 -0.074) 4.763 20.268 ( -5.108 -5.468 0.170) 7.484 21.408 ( -5.542 -18.642 -0.219) 19.449 ======================= Grid point 1148 (355/417) ======================= q-point: ( 0.69 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.927 ( 16.807 14.962 -0.032) 22.502 4.205 ( 1.818 29.959 -0.162) 30.015 4.637 ( 2.722 5.799 0.023) 6.406 4.874 ( 1.712 4.582 -0.141) 4.894 5.181 ( 6.330 10.830 -0.057) 12.544 5.344 ( 4.376 3.188 0.070) 5.414 5.579 ( 5.206 2.733 0.614) 5.912 6.097 ( -3.996 11.971 -0.180) 12.622 6.689 ( -5.816 -7.539 0.255) 9.525 7.093 ( -14.014 -2.434 -0.240) 14.226 8.308 ( 17.502 7.554 -0.125) 19.063 8.862 ( 19.319 -3.951 0.408) 19.723 13.759 ( -8.945 -14.143 0.043) 16.734 14.301 ( -20.395 -13.913 -0.034) 24.689 14.917 ( -8.751 -0.226 -0.113) 8.755 18.016 ( -0.965 9.528 -0.068) 9.577 20.104 ( -4.049 -10.186 0.296) 10.965 21.112 ( -4.090 -21.343 -0.251) 21.733 ======================= Grid point 1149 (356/417) ======================= q-point: ( 0.75 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.286 ( 9.477 10.875 -0.124) 14.426 4.454 ( -2.170 17.899 -0.253) 18.032 4.727 ( 0.021 8.111 0.042) 8.111 4.895 ( -3.320 4.549 0.049) 5.632 5.345 ( 1.937 4.982 0.592) 5.378 5.489 ( 5.691 8.091 -0.501) 9.905 5.677 ( 3.450 0.921 0.494) 3.604 6.127 ( -4.441 8.605 -0.315) 9.688 6.529 ( -4.185 -6.004 0.535) 7.338 6.821 ( -15.326 3.257 -0.533) 15.677 8.651 ( 14.947 0.894 -0.218) 14.975 9.097 ( 14.093 -8.413 0.566) 16.422 13.556 ( -0.213 -9.067 0.059) 9.070 13.860 ( -14.325 -12.099 0.022) 18.751 14.803 ( -8.577 7.440 -0.106) 11.355 18.090 ( -4.367 13.684 -0.069) 14.365 19.952 ( 0.865 -13.277 0.468) 13.313 20.874 ( 1.258 -19.649 -0.389) 19.693 ======================= Grid point 1160 (357/417) ======================= q-point: ( 0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -0.000 37.093 0.848) 37.103 2.122 ( -0.000 31.322 0.878) 31.335 3.384 ( -0.000 45.446 0.297) 45.447 4.041 ( 0.000 10.599 -0.695) 10.621 4.754 ( -0.000 20.166 2.039) 20.269 4.886 ( -0.000 0.438 0.491) 0.658 5.134 ( 0.000 0.900 -1.196) 1.496 5.531 ( 0.000 3.656 -0.198) 3.661 6.322 ( 0.000 25.868 -5.281) 26.402 6.785 ( -0.000 20.108 0.739) 20.121 7.998 ( -0.000 1.517 6.103) 6.289 8.682 ( 0.000 -17.585 -2.249) 17.728 14.931 ( 0.000 -17.525 -0.056) 17.525 16.066 ( 0.000 -21.428 -1.900) 21.513 16.132 ( 0.000 -31.667 -0.813) 31.678 17.940 ( -0.000 -2.071 0.048) 2.071 20.157 ( -0.000 10.578 4.903) 11.659 21.598 ( 0.000 24.419 -9.395) 26.164 ======================= Grid point 1161 (358/417) ======================= q-point: ( 0.50 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 7.290 36.233 0.603) 36.964 2.637 ( 20.921 28.088 0.699) 35.031 3.823 ( 1.866 37.316 0.191) 37.363 4.186 ( 4.302 10.231 -0.626) 11.116 4.846 ( -1.872 6.473 1.049) 6.819 5.032 ( 6.702 10.113 0.558) 12.145 5.144 ( -0.589 3.586 -0.211) 3.640 5.668 ( 9.783 4.503 -0.139) 10.771 6.612 ( 4.089 25.633 -3.821) 26.237 6.932 ( -0.924 9.682 0.322) 9.731 8.037 ( -1.196 6.634 3.277) 7.496 8.473 ( -4.418 -14.720 -0.408) 15.374 14.752 ( -0.275 -18.124 -0.064) 18.126 15.712 ( -7.091 -30.622 0.090) 31.432 15.820 ( -6.862 -20.561 -1.531) 21.730 17.909 ( -0.841 -1.228 0.041) 1.489 20.296 ( 4.604 4.026 2.449) 6.588 21.730 ( -2.769 7.977 -4.209) 9.434 ======================= Grid point 1162 (359/417) ======================= q-point: ( 0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 13.191 32.306 0.287) 34.897 3.325 ( 24.495 26.931 0.487) 36.408 4.185 ( 3.707 24.578 -0.117) 24.856 4.383 ( 6.267 10.931 -0.394) 12.606 4.903 ( 1.878 4.736 0.788) 5.156 5.173 ( 1.649 3.669 -1.348) 4.243 5.252 ( 4.494 10.004 1.807) 11.115 5.913 ( 10.622 6.731 -0.110) 12.576 6.924 ( 3.130 10.155 -0.085) 10.627 6.966 ( 1.378 10.342 -2.048) 10.632 8.107 ( 3.410 1.423 0.010) 3.695 8.261 ( -8.675 -1.833 1.706) 9.030 14.522 ( -5.953 -18.938 -0.075) 19.852 15.316 ( -4.888 -24.022 -0.038) 24.514 15.443 ( -12.795 -19.383 -0.610) 23.233 17.905 ( 0.697 1.012 0.014) 1.229 20.364 ( 1.159 -2.095 0.764) 2.513 21.637 ( -7.532 -6.883 -1.274) 10.283 ======================= Grid point 1163 (360/417) ======================= q-point: ( 0.62 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.337 ( 15.069 26.052 0.087) 30.096 3.982 ( 17.056 29.308 0.240) 33.910 4.438 ( 5.726 10.110 -0.198) 11.620 4.627 ( 7.684 13.008 -0.251) 15.110 5.010 ( 3.969 6.619 0.419) 7.729 5.240 ( 1.867 3.950 -0.393) 4.387 5.415 ( 4.034 6.750 0.877) 7.912 6.134 ( 5.059 8.746 -0.195) 10.106 6.855 ( -3.638 -6.641 0.411) 7.584 7.219 ( 5.355 10.070 -1.371) 11.487 8.085 ( -1.204 -1.355 0.170) 1.820 8.292 ( 5.240 8.037 0.769) 9.625 14.159 ( -11.809 -20.392 -0.057) 23.565 14.961 ( -13.774 -23.911 -0.228) 27.595 15.120 ( -3.868 -6.715 -0.008) 7.750 17.960 ( 2.595 4.458 -0.008) 5.158 20.294 ( -3.922 -6.792 0.104) 7.844 21.351 ( -10.058 -17.358 -0.228) 20.062 ======================= Grid point 1164 (361/417) ======================= q-point: ( 0.69 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.821 ( 14.211 18.865 0.004) 23.619 4.456 ( 3.703 26.109 -0.220) 26.371 4.615 ( 6.836 5.514 0.280) 8.787 4.875 ( 6.027 9.997 -0.276) 11.677 5.199 ( 6.735 13.856 0.126) 15.407 5.312 ( 2.689 2.897 -0.156) 3.956 5.535 ( 3.568 3.843 0.505) 5.268 6.250 ( -0.927 7.410 -0.211) 7.471 6.702 ( -4.894 -8.244 0.102) 9.588 7.279 ( -5.240 2.948 -0.075) 6.013 8.176 ( 6.369 9.344 -0.036) 11.308 8.502 ( 14.807 -2.701 0.251) 15.054 13.759 ( -10.356 -18.322 -0.004) 21.046 14.455 ( -16.998 -21.614 -0.047) 27.498 15.052 ( -3.356 3.281 -0.036) 4.694 18.084 ( 3.706 9.188 -0.025) 9.907 20.105 ( -7.225 -10.562 0.086) 12.797 20.977 ( -8.133 -23.407 -0.096) 24.780 ======================= Grid point 1165 (362/417) ======================= q-point: ( 0.75 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.200 ( 11.228 12.099 -0.029) 16.506 4.625 ( -0.925 7.726 -0.361) 7.789 4.810 ( 3.330 12.227 0.388) 12.678 5.010 ( -0.856 8.970 -0.219) 9.014 5.360 ( 1.478 2.670 0.274) 3.064 5.529 ( 6.230 21.016 -0.274) 21.922 5.625 ( 3.816 2.023 0.245) 4.326 6.262 ( -3.454 3.570 -0.234) 4.973 6.537 ( -4.455 -7.422 0.131) 8.657 7.161 ( -14.053 10.034 0.107) 17.268 8.415 ( 12.041 2.612 -0.190) 12.322 8.723 ( 16.811 -9.796 0.329) 19.460 13.468 ( -3.800 -13.592 0.042) 14.113 13.967 ( -14.870 -18.517 0.019) 23.749 15.045 ( -6.302 11.411 -0.069) 13.036 18.262 ( 2.136 14.886 -0.066) 15.038 19.856 ( -6.327 -14.104 0.325) 15.462 20.638 ( -1.656 -25.239 -0.261) 25.295 ======================= Grid point 1178 (363/417) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( -0.000 36.102 0.474) 36.105 2.716 ( -0.000 27.355 0.776) 27.366 4.178 ( -0.000 33.080 0.574) 33.085 4.247 ( 0.000 9.813 -0.606) 9.832 4.893 ( -0.000 -0.049 0.397) 0.400 5.089 ( 0.000 11.335 -1.197) 11.398 5.202 ( -0.000 7.338 1.494) 7.488 5.613 ( 0.000 4.515 -0.187) 4.519 6.841 ( 0.000 26.029 -2.790) 26.178 7.007 ( -0.000 2.469 0.141) 2.473 8.101 ( 0.000 -0.647 -0.327) 0.725 8.428 ( -0.000 0.821 2.559) 2.688 14.555 ( 0.000 -19.421 -0.072) 19.422 15.455 ( 0.000 -31.932 0.006) 31.932 15.670 ( 0.000 -20.623 -0.763) 20.637 17.897 ( -0.000 -2.112 0.058) 2.113 20.297 ( -0.000 2.715 1.542) 3.122 21.804 ( 0.000 0.605 -2.518) 2.590 ======================= Grid point 1179 (364/417) ======================= q-point: ( 0.56 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( 5.214 34.092 0.303) 34.490 3.165 ( 19.378 24.034 0.615) 30.880 4.367 ( 2.522 9.573 -0.484) 9.911 4.466 ( -0.512 24.545 0.531) 24.556 4.909 ( 1.833 1.563 0.490) 2.459 5.182 ( 1.373 5.583 -2.189) 6.152 5.313 ( 1.339 10.540 2.061) 10.823 5.760 ( 10.574 4.685 -0.122) 11.566 6.962 ( -2.058 -3.339 1.072) 4.066 7.103 ( 0.864 19.388 -3.012) 19.639 8.035 ( -0.247 -7.170 -0.738) 7.212 8.487 ( -5.705 16.313 2.316) 17.437 14.369 ( 0.196 -19.427 -0.088) 19.428 15.110 ( -2.753 -29.004 -0.042) 29.134 15.411 ( -5.980 -19.579 -0.272) 20.474 17.890 ( 1.369 -0.713 0.048) 1.544 20.321 ( 0.832 -1.677 0.587) 1.961 21.704 ( -7.090 -7.727 -0.997) 10.534 ======================= Grid point 1180 (365/417) ======================= q-point: ( 0.62 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.411 ( 8.286 28.769 0.120) 29.939 3.815 ( 26.923 21.753 0.406) 34.615 4.504 ( 2.229 8.770 -0.397) 9.057 4.676 ( 2.113 15.713 0.328) 15.858 5.001 ( 4.461 5.740 0.543) 7.290 5.253 ( 1.291 4.673 -1.211) 4.997 5.440 ( 1.799 7.955 0.937) 8.209 6.026 ( 13.107 4.577 -0.087) 13.883 6.854 ( -3.747 -7.240 0.652) 8.178 7.240 ( 1.518 4.093 -1.868) 4.749 8.027 ( 2.350 3.987 0.007) 4.628 8.528 ( -9.782 17.364 0.977) 19.954 14.119 ( -6.891 -20.051 -0.101) 21.202 14.815 ( -1.047 -25.800 -0.053) 25.821 15.118 ( -5.627 -12.749 -0.013) 13.935 17.944 ( 3.828 2.876 0.033) 4.788 20.269 ( -2.171 -7.012 0.028) 7.341 21.408 ( -13.434 -14.245 -0.184) 19.582 ======================= Grid point 1181 (366/417) ======================= q-point: ( 0.69 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.821 ( 9.243 21.734 0.033) 23.618 4.454 ( 20.695 16.094 0.368) 26.219 4.617 ( 1.411 8.857 -0.433) 8.979 4.873 ( 5.742 10.189 0.175) 11.697 5.199 ( 8.777 12.868 0.199) 15.578 5.313 ( 0.947 3.627 -0.281) 3.759 5.535 ( 1.565 5.047 0.216) 5.289 6.250 ( 6.879 2.889 -0.086) 7.462 6.701 ( -4.620 -8.356 0.236) 9.551 7.280 ( 4.978 -3.024 -0.601) 5.856 8.175 ( 4.914 10.126 0.112) 11.256 8.502 ( -9.681 11.540 0.189) 15.064 13.759 ( -10.710 -18.120 -0.056) 21.048 14.455 ( -10.218 -25.517 -0.030) 27.487 15.052 ( 4.541 -1.278 0.037) 4.717 18.084 ( 6.117 7.795 0.024) 9.909 20.106 ( -5.587 -11.476 -0.136) 12.765 20.977 ( -16.173 -18.796 0.075) 24.797 ======================= Grid point 1182 (367/417) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.161 ( 8.570 14.844 -0.000) 17.140 4.667 ( 1.408 2.439 -0.000) 2.817 4.842 ( 6.123 10.605 -0.000) 12.246 5.064 ( 4.478 7.756 -0.000) 8.956 5.358 ( 1.307 2.263 -0.000) 2.613 5.597 ( 2.668 4.622 -0.000) 5.337 5.609 ( 13.020 22.552 -0.000) 26.040 6.309 ( -0.408 -0.707 -0.000) 0.816 6.538 ( -4.506 -7.805 -0.000) 9.013 7.375 ( 3.333 5.773 -0.000) 6.666 8.350 ( 3.853 6.674 -0.000) 7.706 8.448 ( -0.912 -1.579 -0.000) 1.824 13.432 ( -7.708 -13.350 -0.000) 15.416 14.002 ( -12.869 -22.290 -0.000) 25.738 15.171 ( 4.184 7.247 -0.000) 8.369 18.313 ( 7.744 13.413 -0.000) 15.488 19.859 ( -7.885 -13.656 -0.000) 15.769 20.503 ( -13.096 -22.683 -0.000) 26.192 ======================= Grid point 1196 (368/417) ======================= q-point: ( 0.56 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.222 ( -0.000 22.508 0.597) 22.516 3.270 ( -0.000 32.885 0.230) 32.886 4.420 ( 0.000 7.551 -0.337) 7.558 4.722 ( -0.000 21.361 0.829) 21.377 4.883 ( -0.000 -1.148 0.152) 1.158 5.227 ( 0.000 6.036 -2.050) 6.374 5.412 ( -0.000 10.044 1.576) 10.166 5.709 ( 0.000 5.006 -0.144) 5.008 6.927 ( -0.000 -7.237 0.833) 7.285 7.231 ( 0.000 5.412 -2.451) 5.941 8.015 ( -0.000 5.142 -0.066) 5.143 8.734 ( -0.000 20.043 1.365) 20.090 14.170 ( 0.000 -18.411 -0.062) 18.411 14.840 ( 0.000 -28.868 -0.082) 28.868 15.264 ( 0.000 -19.264 -0.024) 19.264 17.858 ( -0.000 -1.811 0.051) 1.812 20.304 ( -0.000 -1.843 0.177) 1.851 21.677 ( 0.000 -10.896 -0.438) 10.905 ======================= Grid point 1197 (369/417) ======================= q-point: ( 0.62 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.593 ( 11.238 21.551 0.389) 24.308 3.626 ( 10.097 27.234 0.164) 29.046 4.519 ( 3.112 6.203 -0.196) 6.943 4.820 ( -2.610 6.917 0.259) 7.397 4.983 ( 4.951 9.230 0.616) 10.493 5.288 ( 0.439 5.709 -1.477) 5.913 5.509 ( 0.130 8.166 0.792) 8.205 5.851 ( 10.039 4.377 -0.084) 10.952 6.828 ( -2.119 -8.643 0.502) 8.913 7.191 ( 0.251 -10.561 -1.333) 10.647 8.138 ( -0.906 18.534 0.003) 18.557 8.871 ( -7.076 18.597 0.551) 19.905 13.995 ( -0.744 -17.108 -0.073) 17.124 14.555 ( -0.187 -25.878 -0.056) 25.879 15.048 ( -3.089 -16.070 0.078) 16.365 17.882 ( 4.382 -0.126 0.044) 4.384 20.254 ( -2.700 -4.497 -0.149) 5.247 21.475 ( -8.930 -13.404 0.003) 16.106 ======================= Grid point 1198 (370/417) ======================= q-point: ( 0.69 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.927 ( 4.584 22.019 0.077) 22.491 4.204 ( 24.986 16.543 0.296) 29.968 4.637 ( 3.781 5.253 -0.250) 6.477 4.873 ( 3.021 3.854 0.214) 4.901 5.180 ( 6.394 11.086 0.288) 12.801 5.346 ( 0.318 5.102 -0.495) 5.136 5.581 ( -0.160 5.934 0.047) 5.937 6.097 ( 12.311 2.500 0.027) 12.563 6.690 ( -3.626 -8.700 0.141) 9.427 7.094 ( 4.943 -13.527 -0.442) 14.409 8.308 ( -2.232 18.921 0.030) 19.053 8.864 ( -13.062 14.856 0.007) 19.782 13.759 ( -7.786 -14.817 -0.081) 16.738 14.301 ( -1.852 -24.601 -0.018) 24.671 14.916 ( 4.196 -7.692 0.096) 8.763 18.015 ( 8.737 3.928 0.048) 9.579 20.106 ( -6.820 -8.533 -0.306) 10.928 21.111 ( -16.425 -14.274 0.218) 21.762 ======================= Grid point 1214 (371/417) ======================= q-point: ( 0.62 0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.620 ( -0.000 16.723 0.379) 16.727 3.879 ( -0.000 27.155 0.021) 27.155 4.545 ( -0.000 4.949 0.052) 4.949 4.848 ( 0.000 -2.298 -0.172) 2.305 5.070 ( -0.000 13.518 0.778) 13.540 5.341 ( 0.000 5.943 -1.176) 6.058 5.589 ( -0.000 7.041 0.357) 7.050 5.805 ( 0.000 4.421 -0.110) 4.422 6.757 ( -0.000 -9.101 0.144) 9.102 7.037 ( 0.000 -17.466 -0.369) 17.470 8.368 ( -0.000 23.058 -0.068) 23.058 9.113 ( -0.000 16.205 0.097) 16.205 13.835 ( 0.000 -14.440 -0.031) 14.440 14.314 ( 0.000 -22.831 -0.079) 22.831 14.913 ( 0.000 -15.223 0.124) 15.223 17.827 ( -0.000 -1.272 0.034) 1.272 20.247 ( 0.000 -3.237 -0.322) 3.253 21.423 ( -0.000 -13.042 0.212) 13.043 ======================= Grid point 1216 (372/417) ======================= q-point: (-0.31 -0.38 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.928 ( 16.275 13.201 0.318) 20.958 4.142 ( 2.110 21.569 -0.053) 21.672 4.617 ( 2.994 3.607 0.141) 4.690 4.839 ( 1.947 -1.388 -0.196) 2.399 5.212 ( 2.449 9.965 0.246) 10.264 5.399 ( 0.009 5.993 -0.370) 6.004 5.647 ( -0.529 5.302 -0.178) 5.331 5.928 ( 8.920 3.123 -0.033) 9.451 6.651 ( -1.883 -8.449 -0.252) 8.660 6.872 ( 2.196 -17.309 0.372) 17.451 8.564 ( -3.038 20.131 0.036) 20.360 9.189 ( -7.701 12.333 -0.290) 14.543 13.708 ( -0.832 -10.814 -0.044) 10.846 14.089 ( -1.295 -19.841 -0.036) 19.883 14.779 ( 1.068 -10.478 0.115) 10.533 17.884 ( 7.458 0.227 0.036) 7.462 20.161 ( -5.931 -4.151 -0.427) 7.252 21.215 ( -9.535 -11.531 0.345) 14.966 ======================= Grid point 1233 (373/417) ======================= q-point: (-0.31 -0.31 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.887 ( -0.000 9.387 0.204) 9.389 4.330 ( -0.000 16.632 -0.047) 16.632 4.621 ( -0.000 2.528 0.387) 2.558 4.797 ( 0.000 -2.315 -0.433) 2.355 5.278 ( 0.000 6.734 -0.234) 6.738 5.461 ( -0.000 6.451 0.165) 6.453 5.696 ( 0.000 3.465 -0.479) 3.498 5.877 ( 0.000 2.585 -0.103) 2.588 6.587 ( 0.000 -7.129 -0.783) 7.172 6.686 ( -0.000 -15.225 1.316) 15.281 8.778 ( -0.000 15.734 0.194) 15.735 9.359 ( 0.000 8.038 -0.607) 8.061 13.606 ( 0.000 -7.972 0.002) 7.972 13.948 ( 0.000 -12.899 -0.041) 12.899 14.671 ( 0.000 -8.547 0.095) 8.547 17.808 ( -0.000 -0.624 0.019) 0.624 20.188 ( 0.000 -2.126 -0.496) 2.183 21.199 ( -0.000 -8.498 0.432) 8.509 ======================= Grid point 1389 (374/417) ======================= q-point: ( 0.31 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.179 ( -0.000 0.000 3.541) 3.541 0.179 ( -0.000 0.000 3.541) 3.541 0.410 ( -0.000 0.000 5.422) 5.422 3.641 ( 0.000 -0.000 -0.507) 0.507 3.641 ( 0.000 -0.000 -0.507) 0.507 4.869 ( -0.000 0.000 0.420) 0.420 4.869 ( -0.000 0.000 0.420) 0.420 5.399 ( 0.000 -0.000 -0.850) 0.850 5.407 ( 0.000 -0.000 -0.145) 0.145 5.407 ( 0.000 -0.000 -0.145) 0.145 8.284 ( -0.000 0.000 1.492) 1.492 9.581 ( -0.000 0.000 0.014) 0.014 15.518 ( -0.000 0.000 0.019) 0.019 15.518 ( -0.000 0.000 0.019) 0.019 17.388 ( -0.000 0.000 0.052) 0.052 18.015 ( 0.000 -0.000 -0.008) 0.008 18.015 ( 0.000 -0.000 -0.008) 0.008 19.604 ( 0.000 -0.000 -0.618) 0.618 ======================= Grid point 1390 (375/417) ======================= q-point: ( 0.38 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 15.694 9.061 2.870) 18.348 0.772 ( 30.585 17.658 0.585) 35.322 1.226 ( 51.253 29.591 0.619) 59.185 3.691 ( 4.379 2.528 -0.406) 5.072 3.836 ( 15.182 8.765 0.458) 17.537 4.874 ( 0.254 0.147 0.309) 0.426 5.140 ( 6.735 3.888 -5.963) 9.800 5.421 ( 1.257 0.726 -0.072) 1.453 5.457 ( 10.689 6.171 -3.608) 12.859 5.730 ( 23.702 13.685 -1.453) 27.408 8.179 ( -6.369 -3.677 7.516) 10.516 9.359 ( -12.850 -7.419 -2.893) 15.117 15.445 ( -6.171 -3.563 0.081) 7.126 16.514 ( 15.400 8.891 -19.449) 26.353 17.567 ( -28.565 -16.492 1.383) 33.014 18.007 ( -0.726 -0.419 -0.067) 0.841 18.513 ( 98.139 56.661 -18.433) 114.811 19.808 ( 14.006 8.087 -6.569) 17.456 ======================= Grid point 1391 (376/417) ======================= q-point: ( 0.44 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 28.913 16.693 0.843) 33.397 1.475 ( 29.605 17.092 0.203) 34.185 2.384 ( 47.702 27.541 -0.236) 55.082 3.834 ( 7.735 4.466 -0.304) 8.936 4.266 ( 19.795 11.429 2.951) 23.047 4.883 ( 0.399 0.230 0.187) 0.498 5.145 ( -1.181 -0.682 -1.851) 2.299 5.463 ( 2.322 1.341 0.015) 2.682 5.842 ( 20.074 11.590 -6.237) 24.004 6.300 ( 24.023 13.870 -0.234) 27.741 8.060 ( -5.147 -2.972 7.558) 9.615 9.040 ( -13.939 -8.048 -4.462) 16.703 15.238 ( -11.446 -6.608 0.164) 13.218 16.424 ( -11.364 -6.561 -7.257) 14.995 16.841 ( -31.615 -18.253 -0.147) 36.506 17.982 ( -1.393 -0.804 -0.145) 1.615 19.999 ( 14.094 8.137 8.704) 18.456 20.573 ( 60.835 35.123 -23.927) 74.209 ======================= Grid point 1392 (377/417) ======================= q-point: ( 0.50 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 31.993 18.471 0.204) 36.943 2.135 ( 27.093 15.642 0.052) 31.284 3.404 ( 39.705 22.924 -0.977) 45.858 4.033 ( 9.166 5.292 -0.227) 10.587 4.708 ( 16.731 9.660 4.566) 19.852 4.892 ( 0.357 0.206 0.120) 0.429 5.142 ( 1.627 0.939 -1.462) 2.380 5.527 ( 3.166 1.828 0.074) 3.657 6.320 ( 22.161 12.795 -4.983) 26.070 6.792 ( 16.742 9.666 0.286) 19.334 8.001 ( -0.148 -0.086 5.744) 5.746 8.702 ( -13.908 -8.030 -3.333) 16.402 14.926 ( -15.174 -8.761 0.223) 17.523 16.080 ( -16.563 -9.563 -2.558) 19.296 16.129 ( -29.563 -17.068 -0.810) 34.146 17.944 ( -1.799 -1.039 -0.201) 2.087 20.221 ( 6.234 3.599 1.478) 7.348 21.522 ( 24.242 13.996 -5.283) 28.486 ======================= Grid point 1393 (378/417) ======================= q-point: ( 0.56 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( 31.173 17.998 0.020) 35.996 2.726 ( 23.649 13.654 -0.054) 27.307 4.198 ( 28.673 16.555 -1.319) 33.135 4.242 ( 8.570 4.948 -0.196) 9.898 4.896 ( -0.140 -0.081 0.134) 0.210 5.030 ( 9.677 5.587 3.990) 11.865 5.233 ( 6.807 3.930 -1.109) 7.938 5.610 ( 3.935 2.272 0.095) 4.545 6.840 ( 22.618 13.059 -2.743) 26.261 7.006 ( 1.566 0.904 0.213) 1.821 8.059 ( -0.407 -0.235 3.414) 3.446 8.478 ( 0.451 0.260 -1.868) 1.939 14.552 ( -16.780 -9.688 0.226) 19.377 15.459 ( -27.896 -16.106 -0.356) 32.213 15.674 ( -17.837 -10.298 -1.109) 20.626 17.900 ( -1.865 -1.077 -0.204) 2.163 20.311 ( 1.493 0.862 0.308) 1.751 21.786 ( 1.399 0.808 -0.905) 1.852 ======================= Grid point 1394 (379/417) ======================= q-point: ( 0.62 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.227 ( 19.455 11.232 -0.137) 22.465 3.272 ( 28.409 16.402 -0.006) 32.804 4.420 ( 6.637 3.832 -0.224) 7.667 4.736 ( 18.413 10.631 -1.170) 21.294 4.883 ( -1.097 -0.633 0.215) 1.284 5.202 ( 5.857 3.382 1.833) 7.007 5.422 ( 8.264 4.771 0.104) 9.543 5.707 ( 4.352 2.513 0.097) 5.026 6.931 ( -6.455 -3.727 0.242) 7.457 7.221 ( 4.738 2.736 -0.894) 5.544 8.012 ( 5.107 2.948 0.380) 5.909 8.743 ( 16.699 9.641 0.135) 19.282 14.168 ( -15.902 -9.181 0.165) 18.363 14.840 ( -25.078 -14.479 -0.170) 28.958 15.267 ( -16.725 -9.656 -0.421) 19.317 17.859 ( -1.603 -0.926 -0.153) 1.857 20.303 ( -1.845 -1.065 0.224) 2.142 21.675 ( -9.165 -5.292 -0.208) 10.585 ======================= Grid point 1395 (380/417) ======================= q-point: ( 0.69 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.622 ( 14.463 8.350 -0.191) 16.702 3.879 ( 23.488 13.561 0.036) 27.122 4.546 ( 4.341 2.506 -0.299) 5.022 4.846 ( -2.042 -1.179 0.327) 2.380 5.075 ( 11.551 6.669 -0.717) 13.357 5.334 ( 5.421 3.130 0.807) 6.311 5.589 ( 5.962 3.442 0.329) 6.892 5.805 ( 3.831 2.212 0.100) 4.425 6.756 ( -8.004 -4.621 0.354) 9.249 7.038 ( -14.857 -8.578 -0.569) 17.165 8.368 ( 19.972 11.531 -0.095) 23.062 9.112 ( 13.912 8.032 0.381) 16.068 13.834 ( -12.485 -7.208 0.071) 14.416 14.314 ( -19.788 -11.425 -0.018) 22.850 14.914 ( -13.204 -7.624 -0.186) 15.248 17.827 ( -1.117 -0.645 -0.077) 1.292 20.245 ( -2.860 -1.651 0.375) 3.324 21.424 ( -11.227 -6.482 -0.295) 12.967 ======================= Grid point 1406 (381/417) ======================= q-point: ( 0.38 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( -0.000 17.454 3.003) 17.711 0.757 ( -0.000 35.216 1.197) 35.236 1.236 ( -0.000 58.301 0.241) 58.302 3.694 ( 0.000 5.251 -0.539) 5.279 3.849 ( -0.000 18.983 -0.180) 18.983 4.871 ( -0.000 0.119 0.434) 0.450 5.134 ( 0.000 9.384 -6.068) 11.175 5.423 ( 0.000 1.576 -0.173) 1.585 5.441 ( 0.000 11.064 -2.605) 11.367 5.705 ( -0.000 25.199 0.310) 25.201 8.186 ( -0.000 -7.679 6.959) 10.363 9.354 ( 0.000 -15.269 -2.556) 15.482 15.448 ( 0.000 -6.999 -0.034) 6.999 16.470 ( 0.000 19.658 -17.314) 26.195 17.578 ( -0.000 -35.281 0.859) 35.291 18.005 ( -0.000 -0.955 0.037) 0.955 18.396 ( 0.000 102.946 -10.307) 103.461 19.874 ( 0.000 26.108 -10.227) 28.039 ======================= Grid point 1407 (382/417) ======================= q-point: ( 0.44 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 15.785 26.067 1.496) 30.510 1.385 ( 19.956 33.423 0.565) 38.932 2.032 ( 26.886 46.199 -0.052) 53.452 3.802 ( 4.211 7.785 -0.513) 8.866 4.148 ( 10.256 19.974 1.536) 22.506 4.885 ( 0.750 0.903 0.335) 1.221 5.142 ( -1.185 -1.580 -2.113) 2.892 5.488 ( 2.377 4.657 -0.204) 5.233 5.702 ( 11.077 18.961 -5.322) 22.595 6.106 ( 14.825 22.717 0.357) 27.129 8.100 ( -2.866 -6.311 7.139) 9.950 9.116 ( -7.974 -13.839 -3.919) 16.446 15.318 ( -5.452 -9.113 0.042) 10.619 16.462 ( -4.459 -8.042 -8.097) 12.253 17.034 ( -18.598 -32.734 0.293) 37.649 17.970 ( -0.854 -1.802 -0.043) 1.994 19.768 ( 35.995 36.490 11.418) 52.512 20.275 ( 16.341 55.219 -28.345) 64.184 ======================= Grid point 1408 (383/417) ======================= q-point: ( 0.50 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 25.611 26.003 0.454) 36.500 2.045 ( 16.624 34.140 0.203) 37.973 2.985 ( 35.490 31.311 -0.612) 47.332 3.978 ( 6.008 9.158 -0.312) 10.957 4.549 ( 13.814 13.816 3.155) 19.790 4.917 ( 0.424 3.548 0.433) 3.599 5.116 ( 0.764 -0.778 -1.336) 1.724 5.576 ( 0.119 8.533 0.041) 8.534 6.119 ( 16.326 17.746 -4.557) 24.540 6.592 ( 17.511 14.575 0.287) 22.785 8.012 ( -1.890 -3.748 5.345) 6.797 8.808 ( -10.772 -12.894 -3.135) 17.091 15.079 ( -11.213 -9.365 0.142) 14.610 16.192 ( -10.999 -14.034 -3.321) 18.137 16.367 ( -22.600 -26.931 -0.332) 35.159 17.939 ( -0.273 -2.428 -0.108) 2.446 20.198 ( 5.616 8.984 3.051) 11.025 21.239 ( 27.463 30.709 -8.441) 42.054 ======================= Grid point 1409 (384/417) ======================= q-point: ( 0.56 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 27.770 24.219 0.080) 36.848 2.645 ( 14.060 31.946 -0.044) 34.903 3.835 ( 31.761 19.883 -0.974) 37.484 4.181 ( 6.643 9.017 -0.178) 11.201 4.842 ( 7.330 2.497 1.533) 7.894 5.002 ( 3.001 9.218 2.564) 10.027 5.164 ( 4.697 2.610 -1.531) 5.587 5.665 ( -1.035 10.848 0.078) 10.898 6.601 ( 19.977 16.357 -2.750) 25.966 6.934 ( 8.819 3.971 0.133) 9.673 8.028 ( 4.128 1.121 3.900) 5.789 8.498 ( -8.323 -10.572 -2.449) 13.675 14.749 ( -15.598 -9.238 0.182) 18.130 15.719 ( -23.446 -21.887 -0.455) 32.077 15.815 ( -13.779 -15.901 -1.163) 21.072 17.912 ( -0.603 -1.416 -0.150) 1.546 20.320 ( 0.632 4.623 0.341) 4.678 21.698 ( 8.952 3.345 -1.352) 9.652 ======================= Grid point 1410 (385/417) ======================= q-point: ( 0.62 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.973 ( 26.898 21.468 -0.023) 34.415 3.171 ( 11.176 28.706 -0.197) 30.806 4.364 ( 6.993 6.982 -0.046) 9.882 4.476 ( 21.650 11.585 -1.009) 24.576 4.913 ( 0.442 2.483 0.032) 2.523 5.153 ( 4.496 4.845 2.238) 6.978 5.329 ( 8.061 5.775 -0.423) 9.925 5.758 ( -1.253 11.577 0.051) 11.645 6.971 ( -2.471 -3.998 -0.176) 4.703 7.085 ( 16.575 10.854 -0.618) 19.822 8.021 ( -4.759 -2.934 1.340) 5.749 8.508 ( 15.888 2.325 -0.781) 16.076 14.368 ( -16.906 -9.515 0.154) 19.400 15.111 ( -23.851 -16.932 -0.233) 29.251 15.412 ( -13.896 -14.992 -0.421) 20.445 17.891 ( -1.307 0.792 -0.138) 1.534 20.325 ( -2.160 -0.420 0.056) 2.201 21.698 ( -2.842 -9.618 -0.099) 10.029 ======================= Grid point 1411 (386/417) ======================= q-point: ( 0.69 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.595 ( 13.456 20.255 -0.260) 24.319 3.626 ( 18.098 22.561 -0.027) 28.923 4.519 ( 3.881 5.788 -0.070) 6.969 4.821 ( 6.990 1.081 -0.212) 7.077 4.987 ( 5.715 8.940 -0.532) 10.624 5.279 ( 4.865 3.495 1.198) 6.109 5.512 ( 6.913 4.028 0.006) 8.001 5.851 ( -1.243 10.917 0.040) 10.987 6.830 ( -6.521 -6.216 -0.015) 9.009 7.186 ( -9.009 -4.899 0.165) 10.256 8.138 ( 16.499 8.491 -0.019) 18.556 8.873 ( 19.478 3.037 0.026) 19.713 13.995 ( -14.427 -9.194 0.094) 17.108 14.555 ( -22.347 -13.102 -0.045) 25.905 15.049 ( -12.370 -10.725 -0.188) 16.373 17.882 ( -2.311 3.723 -0.087) 4.383 20.253 ( -2.631 -4.638 0.242) 5.337 21.476 ( -7.051 -14.367 -0.153) 16.005 ======================= Grid point 1424 (387/417) ======================= q-point: ( 0.44 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -0.000 33.319 1.255) 33.342 1.463 ( -0.000 34.183 0.923) 34.196 2.375 ( -0.000 54.234 0.295) 54.235 3.838 ( 0.000 9.029 -0.582) 9.048 4.305 ( -0.000 24.094 0.749) 24.106 4.878 ( -0.000 0.387 0.444) 0.589 5.142 ( 0.000 -1.534 -1.770) 2.342 5.466 ( 0.000 2.740 -0.202) 2.747 5.816 ( 0.000 23.324 -4.883) 23.829 6.274 ( -0.000 28.780 1.666) 28.828 8.075 ( -0.000 -6.109 6.654) 9.033 9.021 ( 0.000 -16.452 -3.365) 16.793 15.243 ( 0.000 -13.151 -0.093) 13.152 16.392 ( 0.000 -12.082 -5.432) 13.247 16.834 ( 0.000 -36.751 0.357) 36.752 17.978 ( -0.000 -1.665 0.087) 1.668 19.834 ( -0.000 28.703 11.990) 31.107 20.693 ( 0.000 60.735 -23.890) 65.265 ======================= Grid point 1425 (388/417) ======================= q-point: ( 0.50 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 10.148 35.078 0.768) 36.525 2.041 ( 21.747 31.304 0.607) 38.121 2.977 ( 9.887 45.950 0.122) 47.002 3.980 ( 4.657 9.892 -0.513) 10.946 4.569 ( 3.690 19.451 1.357) 19.845 4.918 ( 3.195 2.494 0.401) 4.073 5.111 ( -1.095 -0.145 -0.981) 1.478 5.578 ( 7.153 4.410 -0.159) 8.405 6.111 ( 7.268 23.142 -3.839) 24.558 6.587 ( 4.487 22.739 0.806) 23.191 8.018 ( -1.801 -3.406 4.835) 6.183 8.797 ( -5.489 -16.211 -2.239) 17.261 15.081 ( -2.662 -14.320 -0.056) 14.565 16.182 ( -6.380 -16.586 -2.469) 17.942 16.365 ( -11.792 -32.875 -0.103) 34.926 17.937 ( -1.820 -1.504 0.055) 2.361 20.163 ( 9.170 10.025 5.825) 14.783 21.269 ( 8.416 39.205 -10.671) 41.494 ======================= Grid point 1426 (389/417) ======================= q-point: ( 0.56 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 18.643 32.092 0.275) 37.116 2.729 ( 18.894 32.445 0.293) 37.546 3.614 ( 18.130 30.872 -0.277) 35.804 4.174 ( 5.790 10.188 -0.310) 11.723 4.785 ( 4.363 7.964 1.155) 9.154 5.051 ( 4.263 9.404 1.449) 10.426 5.117 ( 1.875 1.513 -1.245) 2.711 5.756 ( 4.984 8.709 -0.031) 10.035 6.499 ( 12.176 21.256 -2.344) 24.608 6.854 ( 5.826 10.008 0.161) 11.581 8.001 ( 0.947 2.093 2.772) 3.600 8.513 ( -8.129 -14.990 -1.225) 17.096 14.852 ( -7.960 -13.657 0.021) 15.807 15.817 ( -14.517 -26.359 0.206) 30.092 15.844 ( -11.776 -19.421 -1.384) 22.754 17.904 ( -0.474 -0.911 -0.014) 1.027 20.346 ( 3.033 4.166 1.301) 5.314 21.621 ( 4.712 9.469 -2.483) 10.864 ======================= Grid point 1427 (390/417) ======================= q-point: ( 0.62 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( 21.427 27.479 0.034) 34.846 3.329 ( 11.239 34.554 -0.005) 36.336 4.187 ( 19.499 15.184 -0.346) 24.716 4.382 ( 6.479 11.029 -0.226) 12.793 4.906 ( 3.278 3.998 0.271) 5.177 5.157 ( 1.646 4.645 1.139) 5.057 5.266 ( 6.695 7.759 -0.288) 10.252 5.912 ( 0.506 12.579 -0.042) 12.590 6.931 ( 13.794 15.806 -1.406) 21.025 6.950 ( 1.525 -1.492 0.586) 2.212 8.090 ( -1.970 3.146 2.350) 4.393 8.286 ( 4.383 -8.103 -1.730) 9.373 14.521 ( -13.482 -14.583 0.061) 19.860 15.317 ( -18.390 -16.346 -0.239) 24.606 15.440 ( -10.224 -20.674 -0.236) 23.065 17.905 ( 0.562 1.074 -0.055) 1.213 20.368 ( -2.407 -0.456 0.091) 2.451 21.629 ( -2.189 -9.388 -0.231) 9.643 ======================= Grid point 1428 (391/417) ======================= q-point: ( 0.69 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.412 ( 20.776 21.535 -0.041) 29.923 3.817 ( 5.418 34.150 -0.216) 34.578 4.502 ( 6.457 6.302 0.172) 9.024 4.679 ( 12.581 9.595 -0.488) 15.829 5.004 ( 2.811 6.719 -0.248) 7.287 5.246 ( 3.313 3.792 0.903) 5.115 5.443 ( 5.983 5.323 -0.068) 8.009 6.026 ( -2.595 13.647 -0.045) 13.891 6.857 ( -4.394 -6.957 -0.238) 8.232 7.232 ( 2.712 3.568 0.548) 4.515 8.026 ( 2.490 4.184 0.194) 4.873 8.532 ( 19.744 -0.048 -0.335) 19.747 14.119 ( -13.927 -15.980 0.070) 21.197 14.815 ( -21.837 -13.830 -0.079) 25.848 15.118 ( -8.196 -11.237 -0.089) 13.909 17.945 ( 0.581 4.742 -0.058) 4.778 20.269 ( -5.067 -5.458 0.077) 7.448 21.408 ( -5.547 -18.657 -0.019) 19.464 ======================= Grid point 1442 (392/417) ======================= q-point: ( 0.50 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( -0.000 36.992 0.636) 36.997 2.127 ( -0.000 31.306 0.792) 31.316 3.387 ( -0.000 45.468 0.648) 45.472 4.037 ( 0.000 10.585 -0.553) 10.599 4.761 ( -0.000 20.114 0.038) 20.114 4.889 ( -0.000 0.438 0.405) 0.596 5.129 ( 0.000 1.172 -0.423) 1.246 5.530 ( 0.000 3.659 -0.212) 3.665 6.295 ( 0.000 26.132 -2.791) 26.281 6.789 ( -0.000 19.775 0.497) 19.781 8.029 ( -0.000 0.681 3.357) 3.425 8.672 ( 0.000 -16.824 -0.812) 16.843 14.930 ( 0.000 -17.517 -0.138) 17.517 16.057 ( 0.000 -19.691 -0.732) 19.705 16.128 ( 0.000 -32.871 -0.481) 32.875 17.940 ( -0.000 -2.080 0.121) 2.083 20.187 ( -0.000 9.043 4.322) 10.023 21.544 ( 0.000 27.396 -7.000) 28.277 ======================= Grid point 1443 (393/417) ======================= q-point: ( 0.56 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 7.235 36.172 0.402) 36.890 2.641 ( 20.840 28.098 0.552) 34.987 3.825 ( 1.692 37.349 0.547) 37.392 4.183 ( 4.347 10.237 -0.407) 11.129 4.850 ( -1.740 6.361 0.292) 6.601 5.030 ( 6.582 9.266 -1.171) 11.426 5.146 ( -0.407 4.522 0.915) 4.631 5.667 ( 9.823 4.508 -0.135) 10.809 6.594 ( 4.191 25.843 -1.740) 26.238 6.934 ( -0.946 9.648 0.167) 9.696 8.051 ( -1.227 5.274 0.733) 5.464 8.474 ( -4.561 -13.579 0.827) 14.348 14.751 ( -0.262 -18.125 -0.124) 18.127 15.713 ( -7.137 -30.812 0.341) 31.629 15.813 ( -6.806 -20.101 -0.773) 21.237 17.910 ( -0.858 -1.233 0.093) 1.505 20.310 ( 4.275 3.316 1.791) 5.699 21.707 ( -2.251 9.209 -2.717) 9.862 ======================= Grid point 1444 (394/417) ======================= q-point: ( 0.62 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 13.133 32.285 0.130) 34.854 3.328 ( 24.410 26.960 0.267) 36.370 4.185 ( 3.557 24.547 0.128) 24.804 4.381 ( 6.289 11.026 -0.092) 12.694 4.906 ( 1.858 4.726 0.285) 5.086 5.165 ( 2.381 3.631 -1.257) 4.521 5.262 ( 3.944 9.931 1.047) 10.737 5.912 ( 10.618 6.720 -0.034) 12.566 6.925 ( 5.307 15.711 0.424) 16.588 6.956 ( -0.637 4.862 -1.136) 5.033 8.102 ( 3.551 0.003 -1.375) 3.807 8.274 ( -8.949 -0.462 1.961) 9.173 14.522 ( -5.930 -18.958 -0.073) 19.864 15.316 ( -4.916 -24.076 0.113) 24.573 15.440 ( -12.765 -19.196 -0.207) 23.054 17.905 ( 0.677 1.016 0.038) 1.222 20.368 ( 0.955 -2.290 0.368) 2.508 21.631 ( -7.228 -6.580 -0.568) 9.791 ======================= Grid point 1445 (395/417) ======================= q-point: ( 0.69 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.337 ( 15.042 26.053 -0.000) 30.084 3.983 ( 16.951 29.360 -0.000) 33.902 4.437 ( 5.809 10.062 -0.000) 11.618 4.626 ( 7.565 13.102 -0.000) 15.129 5.012 ( 3.848 6.665 -0.000) 7.696 5.239 ( 2.168 3.756 -0.000) 4.337 5.418 ( 3.923 6.794 -0.000) 7.845 6.133 ( 5.040 8.730 -0.000) 10.080 6.856 ( -3.791 -6.567 -0.000) 7.583 7.214 ( 5.758 9.972 -0.000) 11.515 8.085 ( -0.880 -1.523 -0.000) 1.759 8.294 ( 4.754 8.235 -0.000) 9.509 14.159 ( -11.784 -20.411 -0.000) 23.569 14.960 ( -13.778 -23.864 -0.000) 27.555 15.120 ( -3.872 -6.707 -0.000) 7.745 17.960 ( 2.580 4.468 -0.000) 5.160 20.294 ( -3.944 -6.831 -0.000) 7.888 21.350 ( -9.999 -17.318 -0.000) 19.997 ======================= Grid point 1460 (396/417) ======================= q-point: ( 0.56 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( -0.000 36.047 0.349) 36.049 2.721 ( -0.000 27.333 0.617) 27.340 4.183 ( -0.000 33.082 0.949) 33.096 4.243 ( 0.000 9.836 -0.383) 9.843 4.895 ( -0.000 -0.082 0.248) 0.261 5.076 ( 0.000 10.578 -2.739) 10.927 5.213 ( -0.000 8.133 1.808) 8.332 5.611 ( 0.000 4.527 -0.182) 4.531 6.829 ( 0.000 26.472 -1.012) 26.492 7.007 ( -0.000 2.104 0.037) 2.104 8.094 ( 0.000 -1.563 -1.746) 2.343 8.446 ( -0.000 1.538 2.813) 3.206 14.554 ( 0.000 -19.404 -0.149) 19.405 15.455 ( 0.000 -32.040 0.171) 32.041 15.667 ( 0.000 -20.408 -0.144) 20.409 17.898 ( -0.000 -2.129 0.129) 2.132 20.305 ( -0.000 2.168 1.073) 2.419 21.790 ( 0.000 1.418 -1.573) 2.118 ======================= Grid point 1461 (397/417) ======================= q-point: ( 0.62 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( 5.177 34.049 0.177) 34.440 3.169 ( 19.326 24.029 0.440) 30.840 4.365 ( 2.543 9.551 -0.238) 9.887 4.470 ( -0.651 24.570 0.818) 24.593 4.912 ( 1.908 1.568 0.249) 2.483 5.168 ( 1.602 5.874 -2.273) 6.499 5.324 ( 1.170 10.243 1.235) 10.384 5.759 ( 10.606 4.692 -0.092) 11.598 6.968 ( -2.144 -3.687 0.806) 4.341 7.088 ( 1.011 19.627 -1.424) 19.705 8.029 ( -0.203 -6.454 -1.098) 6.550 8.500 ( -5.824 15.642 1.645) 16.772 14.368 ( 0.195 -19.414 -0.131) 19.415 15.110 ( -2.746 -29.059 0.106) 29.189 15.410 ( -5.991 -19.494 0.079) 20.394 17.890 ( 1.358 -0.725 0.101) 1.543 20.324 ( 0.762 -1.942 0.289) 2.106 21.699 ( -6.979 -7.380 -0.488) 10.169 ======================= Grid point 1479 (398/417) ======================= q-point: (-0.38 -0.38 -0.69) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.225 ( -0.000 22.480 0.398) 22.483 3.271 ( -0.000 32.836 0.132) 32.836 4.419 ( -0.000 7.610 -0.063) 7.610 4.729 ( -0.000 21.334 1.053) 21.360 4.884 ( 0.000 -1.209 -0.033) 1.210 5.214 ( 0.000 6.338 -2.003) 6.647 5.420 ( -0.000 9.789 0.718) 9.816 5.708 ( 0.000 5.018 -0.131) 5.020 6.931 ( -0.000 -7.354 0.355) 7.363 7.221 ( 0.000 5.578 -0.864) 5.644 8.014 ( 0.000 5.476 -0.241) 5.482 8.741 ( -0.000 19.609 0.656) 19.620 14.169 ( 0.000 -18.387 -0.123) 18.387 14.839 ( 0.000 -28.909 0.048) 28.909 15.265 ( 0.000 -19.247 0.214) 19.248 17.858 ( -0.000 -1.831 0.111) 1.834 20.304 ( 0.000 -2.028 -0.025) 2.028 21.675 ( 0.000 -10.668 -0.124) 10.668 ======================= Grid point 1672 (399/417) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.199 ( -0.000 0.000 2.424) 2.424 0.199 ( -0.000 0.000 2.424) 2.424 0.437 ( -0.000 0.000 2.907) 2.907 3.638 ( 0.000 -0.000 -0.384) 0.384 3.638 ( 0.000 -0.000 -0.384) 0.384 4.872 ( -0.000 0.000 0.318) 0.318 4.872 ( -0.000 0.000 0.318) 0.318 5.395 ( 0.000 -0.000 -0.442) 0.442 5.406 ( 0.000 -0.000 -0.110) 0.110 5.406 ( 0.000 -0.000 -0.110) 0.110 8.292 ( -0.000 0.000 0.981) 0.981 9.581 ( -0.000 0.000 0.075) 0.075 15.518 ( -0.000 0.000 0.014) 0.014 15.518 ( -0.000 0.000 0.014) 0.014 17.388 ( -0.000 0.000 0.040) 0.040 18.015 ( 0.000 -0.000 -0.006) 0.006 18.015 ( 0.000 -0.000 -0.006) 0.006 19.600 ( 0.000 -0.000 -0.472) 0.472 ======================= Grid point 1673 (400/417) ======================= q-point: ( 0.44 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 15.174 8.761 1.284) 17.568 0.774 ( 30.438 17.573 0.140) 35.147 1.230 ( 50.988 29.438 0.587) 58.879 3.689 ( 4.399 2.540 -0.213) 5.084 3.839 ( 15.758 9.098 0.452) 18.202 4.876 ( 0.226 0.131 0.152) 0.302 5.108 ( 8.136 4.697 -3.964) 10.197 5.420 ( 1.279 0.738 -0.005) 1.477 5.439 ( 8.828 5.097 -2.025) 10.392 5.722 ( 23.338 13.474 -1.035) 26.968 8.218 ( -5.278 -3.047 4.497) 7.574 9.344 ( -14.013 -8.090 -1.819) 16.283 15.445 ( -6.149 -3.550 0.101) 7.101 16.408 ( 19.092 11.023 -12.654) 25.419 17.574 ( -29.215 -16.868 0.972) 33.749 18.007 ( -0.748 -0.432 -0.088) 0.868 18.416 ( 94.692 54.671 -11.529) 109.948 19.781 ( 11.663 6.733 -2.116) 13.632 ======================= Grid point 1674 (401/417) ======================= q-point: ( 0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 28.749 16.598 0.127) 33.196 1.476 ( 29.587 17.082 -0.166) 34.164 2.382 ( 47.473 27.409 -0.324) 54.818 3.833 ( 7.745 4.471 -0.057) 8.943 4.284 ( 20.435 11.798 2.559) 23.735 4.883 ( 0.385 0.222 0.002) 0.444 5.135 ( -0.976 -0.564 -1.133) 1.598 5.463 ( 2.337 1.349 0.092) 2.700 5.808 ( 19.946 11.516 -3.858) 23.353 6.297 ( 24.423 14.101 -0.660) 28.209 8.100 ( -5.277 -3.047 4.393) 7.511 9.015 ( -13.940 -8.048 -2.962) 16.367 15.240 ( -11.427 -6.598 0.187) 13.196 16.384 ( -9.996 -5.771 -4.643) 12.441 16.839 ( -31.810 -18.366 -0.232) 36.732 17.981 ( -1.410 -0.814 -0.167) 1.637 20.034 ( 10.061 5.809 0.615) 11.634 20.460 ( 68.195 39.373 -9.421) 79.307 ======================= Grid point 1675 (402/417) ======================= q-point: ( 0.56 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 31.967 18.456 -0.159) 36.913 2.135 ( 27.094 15.643 -0.289) 31.287 3.398 ( 39.558 22.839 -0.994) 45.688 4.033 ( 9.160 5.288 0.057) 10.577 4.735 ( 16.985 9.806 3.675) 19.953 4.892 ( 0.367 0.212 -0.077) 0.430 5.134 ( 1.523 0.879 -1.074) 2.060 5.527 ( 3.169 1.829 0.145) 3.662 6.295 ( 22.472 12.974 -2.647) 26.083 6.793 ( 16.783 9.689 0.004) 19.379 8.030 ( -0.249 -0.144 3.127) 3.141 8.683 ( -13.808 -7.972 -2.404) 16.124 14.928 ( -15.168 -8.757 0.228) 17.516 16.065 ( -15.972 -9.221 -1.856) 18.536 16.126 ( -29.627 -17.105 -0.216) 34.211 17.943 ( -1.804 -1.042 -0.204) 2.093 20.223 ( 6.110 3.528 -0.776) 7.098 21.501 ( 25.540 14.746 -0.991) 29.508 ======================= Grid point 1676 (403/417) ======================= q-point: ( 0.62 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( 31.186 18.005 -0.191) 36.011 2.724 ( 23.656 13.658 -0.364) 27.318 4.190 ( 28.657 16.545 -1.199) 33.112 4.242 ( 8.543 4.932 0.103) 9.865 4.896 ( -0.105 -0.061 -0.062) 0.137 5.055 ( 9.211 5.318 3.601) 11.229 5.224 ( 7.107 4.103 -1.538) 8.349 5.610 ( 3.930 2.269 0.150) 4.540 6.828 ( 22.930 13.239 -0.923) 26.493 7.007 ( 1.643 0.948 0.077) 1.898 8.080 ( -1.233 -0.712 2.769) 3.113 8.464 ( 1.174 0.678 -2.524) 2.865 14.553 ( -16.791 -9.694 0.203) 19.389 15.457 ( -27.838 -16.072 -0.292) 32.145 15.668 ( -17.661 -10.197 -0.515) 20.400 17.899 ( -1.856 -1.071 -0.180) 2.150 20.310 ( 1.572 0.907 -0.419) 1.863 21.784 ( 1.540 0.889 0.368) 1.816 ======================= Grid point 1690 (404/417) ======================= q-point: ( 0.44 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( -0.000 17.121 1.666) 17.202 0.764 ( -0.000 35.075 1.039) 35.091 1.237 ( -0.000 58.299 -0.006) 58.299 3.691 ( 0.000 5.210 -0.413) 5.227 3.847 ( 0.000 19.197 -0.333) 19.200 4.874 ( -0.000 0.145 0.340) 0.369 5.102 ( 0.000 10.239 -3.588) 10.850 5.422 ( 0.000 1.560 -0.158) 1.568 5.429 ( 0.000 9.244 -1.039) 9.302 5.708 ( -0.000 25.662 0.483) 25.666 8.222 ( -0.000 -6.269 4.064) 7.471 9.341 ( 0.000 -16.475 -1.487) 16.542 15.447 ( 0.000 -7.015 -0.070) 7.015 16.380 ( 0.000 22.870 -9.956) 24.943 17.581 ( 0.000 -35.257 0.314) 35.259 18.005 ( -0.000 -0.941 0.068) 0.943 18.350 ( 0.000 102.804 -4.286) 102.893 19.821 ( 0.000 19.770 -6.182) 20.714 ======================= Grid point 1691 (405/417) ======================= q-point: ( 0.50 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 15.423 26.043 0.682) 30.275 1.388 ( 19.725 33.548 0.294) 38.918 2.032 ( 26.750 46.132 -0.020) 53.327 3.799 ( 4.300 7.715 -0.276) 8.837 4.155 ( 10.946 20.169 0.842) 22.963 4.887 ( 0.681 0.967 0.182) 1.196 5.131 ( -0.848 -1.237 -1.183) 1.911 5.487 ( 2.516 4.656 -0.118) 5.293 5.676 ( 10.851 18.546 -2.655) 21.651 6.108 ( 14.336 23.352 0.168) 27.402 8.136 ( -3.083 -6.074 3.807) 7.803 9.096 ( -8.084 -14.000 -2.172) 16.312 15.318 ( -5.383 -9.145 0.023) 10.612 16.421 ( -3.682 -6.589 -4.303) 8.689 17.035 ( -18.798 -32.815 0.122) 37.818 17.970 ( -0.913 -1.755 -0.023) 1.979 19.852 ( 41.483 44.797 14.359) 62.720 20.107 ( 12.428 49.169 -22.943) 55.663 ======================= Grid point 1692 (406/417) ======================= q-point: ( 0.56 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 25.443 26.080 -0.004) 36.435 2.045 ( 16.480 34.261 -0.096) 38.019 2.981 ( 35.284 31.321 -0.512) 47.183 3.977 ( 6.092 9.084 -0.024) 10.937 4.566 ( 14.279 13.601 1.916) 19.813 4.919 ( 0.484 3.816 0.215) 3.853 5.110 ( 0.696 -0.850 -0.693) 1.299 5.576 ( 0.168 8.499 0.100) 8.501 6.098 ( 16.422 17.878 -1.908) 24.351 6.592 ( 17.446 14.749 -0.098) 22.845 8.037 ( -2.092 -3.777 2.132) 4.815 8.792 ( -10.772 -12.692 -1.555) 16.720 15.080 ( -11.165 -9.397 0.132) 14.594 16.176 ( -10.645 -13.530 -1.551) 17.285 16.365 ( -22.662 -26.903 -0.178) 35.177 17.939 ( -0.316 -2.393 -0.105) 2.416 20.207 ( 4.143 9.400 -0.282) 10.277 21.205 ( 30.087 31.395 -1.789) 43.521 ======================= Grid point 1693 (407/417) ======================= q-point: ( 0.62 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 27.721 24.279 -0.182) 36.851 2.644 ( 13.982 32.021 -0.322) 34.942 3.829 ( 31.630 20.003 -0.810) 37.433 4.181 ( 6.669 8.944 0.125) 11.157 4.849 ( 6.654 1.953 0.581) 6.959 5.018 ( 3.872 9.723 2.276) 10.710 5.154 ( 4.596 2.439 -1.483) 5.410 5.666 ( -1.022 10.806 0.115) 10.854 6.590 ( 20.220 16.545 -0.546) 26.132 6.934 ( 8.819 3.981 -0.022) 9.676 8.047 ( 4.372 1.157 1.807) 4.870 8.483 ( -8.668 -10.511 -1.877) 13.753 14.750 ( -15.580 -9.268 0.166) 18.129 15.716 ( -23.313 -21.767 -0.476) 31.898 15.811 ( -13.764 -15.805 -0.167) 20.959 17.911 ( -0.625 -1.386 -0.132) 1.526 20.318 ( 0.532 4.867 -0.801) 4.961 21.696 ( 9.340 3.281 0.757) 9.928 ======================= Grid point 1708 (408/417) ======================= q-point: ( 0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -0.000 33.173 0.806) 33.183 1.469 ( -0.000 34.163 0.774) 34.172 2.377 ( -0.000 54.357 0.369) 54.359 3.835 ( 0.000 8.995 -0.420) 9.005 4.305 ( 0.000 24.297 -0.519) 24.303 4.881 ( -0.000 0.404 0.338) 0.527 5.133 ( 0.000 -1.210 -0.866) 1.489 5.465 ( 0.000 2.730 -0.193) 2.737 5.794 ( 0.000 23.096 -1.808) 23.167 6.284 ( -0.000 28.707 1.336) 28.738 8.107 ( -0.000 -6.148 3.286) 6.971 9.005 ( 0.000 -16.315 -1.444) 16.379 15.242 ( 0.000 -13.160 -0.149) 13.160 16.367 ( 0.000 -10.998 -2.123) 11.201 16.836 ( 0.000 -36.847 0.289) 36.848 17.979 ( -0.000 -1.659 0.135) 1.665 19.918 ( -0.000 24.886 13.429) 28.278 20.553 ( 0.000 66.885 -18.689) 69.447 ======================= Grid point 1709 (409/417) ======================= q-point: ( 0.56 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 10.016 35.039 0.391) 36.445 2.044 ( 21.604 31.346 0.378) 38.072 2.978 ( 9.665 46.064 0.348) 47.068 3.977 ( 4.726 9.856 -0.264) 10.934 4.573 ( 4.150 19.368 -0.296) 19.810 4.919 ( 3.185 2.468 0.090) 4.030 5.108 ( -1.097 0.018 -0.146) 1.107 5.577 ( 7.214 4.409 -0.140) 8.456 6.095 ( 7.307 23.207 -0.978) 24.350 6.591 ( 4.259 22.579 0.453) 22.982 8.039 ( -2.050 -3.655 1.473) 4.442 8.788 ( -5.504 -15.834 -0.409) 16.769 15.081 ( -2.611 -14.342 -0.102) 14.578 16.172 ( -6.292 -16.001 -0.477) 17.201 16.364 ( -11.893 -33.019 0.024) 35.095 17.938 ( -1.863 -1.489 0.087) 2.387 20.194 ( 7.641 8.597 3.608) 12.054 21.216 ( 10.483 41.697 -5.089) 43.295 ======================= Grid point 1710 (410/417) ======================= q-point: ( 0.62 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 18.546 32.122 -0.000) 37.091 2.730 ( 18.771 32.512 -0.000) 37.542 3.613 ( 17.900 31.003 -0.000) 35.799 4.173 ( 5.858 10.147 -0.000) 11.717 4.789 ( 4.458 7.722 -0.000) 8.916 5.056 ( 5.390 9.335 0.000) 10.780 5.113 ( 0.952 1.649 -0.000) 1.904 5.756 ( 5.015 8.686 -0.000) 10.030 6.491 ( 12.311 21.323 -0.000) 24.622 6.854 ( 5.778 10.008 -0.000) 11.557 8.010 ( 1.053 1.824 -0.000) 2.106 8.509 ( -8.455 -14.644 -0.000) 16.909 14.852 ( -7.906 -13.693 -0.000) 15.812 15.818 ( -15.256 -26.425 -0.000) 30.512 15.840 ( -11.065 -19.166 -0.000) 22.131 17.904 ( -0.513 -0.888 -0.000) 1.026 20.350 ( 2.442 4.230 -0.000) 4.884 21.613 ( 5.534 9.584 -0.000) 11.067 ======================= Grid point 1726 (411/417) ======================= q-point: ( 0.56 0.56 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -0.000 36.933 0.423) 36.935 2.132 ( -0.000 31.293 0.585) 31.299 3.392 ( -0.000 45.547 0.885) 45.556 4.034 ( 0.000 10.577 -0.330) 10.582 4.754 ( 0.000 19.905 -2.038) 20.009 4.891 ( -0.000 0.432 0.260) 0.505 5.129 ( -0.000 1.492 0.416) 1.549 5.529 ( 0.000 3.660 -0.193) 3.665 6.286 ( -0.000 26.142 -0.039) 26.142 6.792 ( -0.000 19.529 0.252) 19.531 8.041 ( -0.000 0.027 0.080) 0.084 8.672 ( -0.000 -16.225 0.897) 16.249 14.929 ( 0.000 -17.513 -0.198) 17.514 16.057 ( -0.000 -18.721 0.631) 18.731 16.126 ( 0.000 -33.687 -0.165) 33.688 17.941 ( -0.000 -2.084 0.176) 2.092 20.211 ( -0.000 7.742 2.874) 8.258 21.509 ( 0.000 29.235 -3.369) 29.429 ======================= Grid point 1958 (412/417) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.210 ( -0.000 0.000 1.230) 1.230 0.210 ( -0.000 0.000 1.230) 1.230 0.450 ( -0.000 0.000 1.177) 1.177 3.636 ( 0.000 -0.000 -0.206) 0.206 3.636 ( 0.000 -0.000 -0.206) 0.206 4.873 ( -0.000 0.000 0.170) 0.170 4.873 ( -0.000 0.000 0.170) 0.170 5.393 ( 0.000 -0.000 -0.164) 0.164 5.406 ( 0.000 -0.000 -0.059) 0.059 5.406 ( 0.000 -0.000 -0.059) 0.059 8.297 ( -0.000 0.000 0.473) 0.473 9.581 ( -0.000 0.000 0.064) 0.064 15.518 ( -0.000 0.000 0.008) 0.008 15.518 ( -0.000 0.000 0.008) 0.008 17.388 ( -0.000 0.000 0.022) 0.022 18.015 ( 0.000 -0.000 -0.003) 0.003 18.015 ( 0.000 -0.000 -0.003) 0.003 19.598 ( 0.000 -0.000 -0.256) 0.256 ======================= Grid point 1959 (413/417) ======================= q-point: ( 0.50 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 14.900 8.602 0.158) 17.205 0.774 ( 30.347 17.521 -0.320) 35.043 1.233 ( 50.756 29.304 0.455) 58.609 3.688 ( 4.432 2.559 0.009) 5.118 3.842 ( 16.243 9.378 0.438) 18.760 4.876 ( 0.192 0.111 -0.025) 0.223 5.089 ( 8.731 5.041 -1.581) 10.205 5.421 ( 1.304 0.753 0.062) 1.508 5.429 ( 7.757 4.478 -0.910) 9.003 5.716 ( 22.968 13.261 -0.792) 26.533 8.238 ( -4.638 -2.678 1.586) 5.585 9.336 ( -14.722 -8.500 -0.707) 17.014 15.446 ( -6.122 -3.535 0.107) 7.070 16.350 ( 20.629 11.910 -5.231) 24.388 17.579 ( -29.824 -17.219 0.573) 34.442 18.006 ( -0.772 -0.446 -0.095) 0.896 18.360 ( 91.459 52.804 -5.851) 105.770 19.777 ( 11.800 6.813 0.799) 13.649 ======================= Grid point 1960 (414/417) ======================= q-point: ( 0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 28.696 16.568 -0.391) 33.137 1.473 ( 29.580 17.078 -0.509) 34.160 2.380 ( 47.253 27.281 -0.375) 54.564 3.833 ( 7.764 4.483 0.197) 8.967 4.298 ( 20.887 12.059 1.703) 24.178 4.883 ( 0.368 0.212 -0.182) 0.462 5.131 ( -0.925 -0.534 -0.178) 1.083 5.464 ( 2.352 1.358 0.155) 2.720 5.792 ( 19.902 11.491 -1.141) 23.010 6.292 ( 24.698 14.259 -1.013) 28.537 8.116 ( -5.316 -3.069 0.592) 6.167 9.003 ( -14.023 -8.096 -0.839) 16.214 15.241 ( -11.410 -6.587 0.182) 13.176 16.364 ( -9.363 -5.406 -1.382) 10.899 16.838 ( -31.906 -18.421 -0.263) 36.843 17.980 ( -1.426 -0.823 -0.164) 1.654 20.000 ( 14.585 8.421 -10.408) 19.798 20.460 ( 65.151 37.615 8.612) 75.721 ======================= Grid point 1976 (415/417) ======================= q-point: ( 0.50 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -0.000 17.072 0.700) 17.087 0.770 ( -0.000 35.016 0.731) 35.024 1.236 ( -0.000 58.407 -0.250) 58.408 3.689 ( 0.000 5.163 -0.227) 5.168 3.845 ( 0.000 19.112 -0.408) 19.116 4.875 ( -0.000 0.181 0.197) 0.267 5.087 ( 0.000 10.331 -0.969) 10.376 5.421 ( 0.000 1.536 -0.119) 1.540 5.426 ( -0.000 8.621 0.004) 8.621 5.711 ( -0.000 26.097 0.625) 26.104 8.239 ( -0.000 -5.411 1.234) 5.550 9.335 ( 0.000 -17.103 -0.392) 17.108 15.447 ( 0.000 -7.040 -0.096) 7.040 16.340 ( 0.000 24.036 -2.344) 24.150 17.582 ( 0.000 -34.971 -0.155) 34.971 18.005 ( -0.000 -0.918 0.088) 0.923 18.339 ( -0.000 103.424 0.842) 103.427 19.791 ( 0.000 15.759 -3.319) 16.105 ======================= Grid point 1977 (416/417) ======================= q-point: ( 0.56 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 15.104 26.161 -0.000) 30.208 1.389 ( 19.457 33.701 -0.000) 38.914 2.032 ( 26.642 46.145 -0.000) 53.283 3.798 ( 4.413 7.644 -0.000) 8.826 4.158 ( 11.563 20.029 -0.000) 23.127 4.887 ( 0.593 1.027 -0.000) 1.186 5.127 ( -0.664 -1.149 -0.000) 1.327 5.487 ( 2.659 4.606 -0.000) 5.318 5.668 ( 10.646 18.440 -0.000) 21.293 6.109 ( 13.745 23.806 -0.000) 27.489 8.149 ( -3.371 -5.838 -0.000) 6.742 9.089 ( -8.127 -14.076 -0.000) 16.253 15.318 ( -5.305 -9.188 -0.000) 10.610 16.407 ( -3.493 -6.050 -0.000) 6.986 17.036 ( -18.937 -32.799 -0.000) 37.873 17.970 ( -0.986 -1.708 -0.000) 1.973 19.935 ( 47.543 82.346 -0.000) 95.085 19.996 ( 7.040 12.194 0.000) 14.080 ======================= Grid point 2249 (417/417) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.215 ( -0.000 0.000 0.000) 0.000 0.215 ( -0.000 0.000 0.000) 0.000 0.454 ( -0.000 0.000 0.000) 0.000 3.636 ( -0.000 0.000 0.000) 0.000 3.636 ( -0.000 0.000 0.000) 0.000 4.874 ( -0.000 0.000 0.000) 0.000 4.874 ( -0.000 0.000 0.000) 0.000 5.393 ( -0.000 0.000 0.000) 0.000 5.405 ( -0.000 0.000 0.000) 0.000 5.405 ( -0.000 0.000 0.000) 0.000 8.299 ( -0.000 0.000 0.000) 0.000 9.582 ( -0.000 0.000 0.000) 0.000 15.518 ( -0.000 0.000 0.000) 0.000 15.518 ( -0.000 0.000 0.000) 0.000 17.389 ( -0.000 0.000 0.000) 0.000 18.015 ( -0.000 0.000 0.000) 0.000 18.015 ( -0.000 0.000 0.000) 0.000 19.597 ( -0.000 0.000 0.000) 0.000 =================== 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 3/73728 10.0 73.308 73.308 91.957 0.000 -0.000 -0.000 3/73728 20.0 138.387 138.387 46.783 0.000 -0.000 -0.000 3/73728 30.0 148.007 148.007 24.048 0.000 -0.000 -0.000 3/73728 40.0 121.282 121.282 11.632 0.000 -0.000 -0.000 3/73728 50.0 94.301 94.301 6.177 0.000 -0.000 -0.000 3/73728 60.0 74.756 74.756 3.763 0.000 -0.000 -0.000 3/73728 70.0 61.279 61.279 2.575 0.000 -0.000 -0.000 3/73728 80.0 51.816 51.816 1.921 0.000 -0.000 -0.000 3/73728 90.0 44.933 44.933 1.524 0.000 -0.000 -0.000 3/73728 100.0 39.741 39.741 1.265 0.000 -0.000 -0.000 3/73728 110.0 35.692 35.692 1.085 0.000 -0.000 -0.000 3/73728 120.0 32.445 32.445 0.954 0.000 -0.000 -0.000 3/73728 130.0 29.778 29.778 0.854 0.000 -0.000 -0.000 3/73728 140.0 27.544 27.544 0.776 0.000 -0.000 -0.000 3/73728 150.0 25.642 25.642 0.714 0.000 -0.000 -0.000 3/73728 160.0 24.001 24.001 0.662 0.000 -0.000 -0.000 3/73728 170.0 22.569 22.569 0.620 0.000 -0.000 -0.000 3/73728 180.0 21.306 21.306 0.583 0.000 -0.000 -0.000 3/73728 190.0 20.184 20.184 0.552 0.000 -0.000 -0.000 3/73728 200.0 19.179 19.179 0.525 0.000 -0.000 -0.000 3/73728 210.0 18.274 18.274 0.501 0.000 -0.000 -0.000 3/73728 220.0 17.454 17.454 0.480 0.000 -0.000 -0.000 3/73728 230.0 16.707 16.707 0.460 0.000 -0.000 -0.000 3/73728 240.0 16.024 16.024 0.443 0.000 -0.000 -0.000 3/73728 250.0 15.396 15.396 0.427 0.000 -0.000 -0.000 3/73728 260.0 14.817 14.817 0.413 0.000 -0.000 -0.000 3/73728 270.0 14.282 14.282 0.400 0.000 -0.000 -0.000 3/73728 280.0 13.784 13.784 0.388 0.000 -0.000 -0.000 3/73728 290.0 13.322 13.322 0.376 0.000 -0.000 -0.000 3/73728 300.0 12.890 12.890 0.366 0.000 -0.000 -0.000 3/73728 310.0 12.486 12.486 0.356 0.000 -0.000 -0.000 3/73728 320.0 12.107 12.107 0.346 0.000 -0.000 -0.000 3/73728 330.0 11.751 11.751 0.337 0.000 -0.000 -0.000 3/73728 340.0 11.415 11.415 0.329 0.000 -0.000 -0.000 3/73728 350.0 11.099 11.099 0.321 0.000 -0.000 -0.000 3/73728 360.0 10.800 10.800 0.314 0.000 -0.000 -0.000 3/73728 370.0 10.517 10.517 0.306 0.000 -0.000 -0.000 3/73728 380.0 10.249 10.249 0.300 0.000 -0.000 -0.000 3/73728 390.0 9.994 9.994 0.293 0.000 -0.000 -0.000 3/73728 400.0 9.752 9.752 0.287 0.000 -0.000 -0.000 3/73728 410.0 9.521 9.521 0.281 0.000 -0.000 -0.000 3/73728 420.0 9.301 9.301 0.275 0.000 -0.000 -0.000 3/73728 430.0 9.091 9.091 0.270 0.000 -0.000 -0.000 3/73728 440.0 8.891 8.891 0.264 0.000 -0.000 -0.000 3/73728 450.0 8.699 8.699 0.259 0.000 -0.000 -0.000 3/73728 460.0 8.516 8.516 0.254 0.000 -0.000 -0.000 3/73728 470.0 8.340 8.340 0.250 0.000 -0.000 -0.000 3/73728 480.0 8.171 8.171 0.245 0.000 -0.000 -0.000 3/73728 490.0 8.009 8.009 0.241 0.000 -0.000 -0.000 3/73728 500.0 7.854 7.854 0.237 0.000 -0.000 -0.000 3/73728 510.0 7.704 7.704 0.233 0.000 -0.000 -0.000 3/73728 520.0 7.560 7.560 0.229 0.000 -0.000 -0.000 3/73728 530.0 7.422 7.422 0.225 0.000 -0.000 -0.000 3/73728 540.0 7.288 7.288 0.221 0.000 -0.000 -0.000 3/73728 550.0 7.159 7.159 0.218 0.000 -0.000 -0.000 3/73728 560.0 7.035 7.035 0.214 0.000 -0.000 -0.000 3/73728 570.0 6.915 6.915 0.211 0.000 -0.000 -0.000 3/73728 580.0 6.799 6.799 0.208 0.000 -0.000 -0.000 3/73728 590.0 6.686 6.686 0.204 0.000 -0.000 -0.000 3/73728 600.0 6.578 6.578 0.201 0.000 -0.000 -0.000 3/73728 610.0 6.473 6.473 0.198 0.000 -0.000 -0.000 3/73728 620.0 6.371 6.371 0.195 0.000 -0.000 -0.000 3/73728 630.0 6.273 6.273 0.193 0.000 -0.000 -0.000 3/73728 640.0 6.177 6.177 0.190 0.000 -0.000 -0.000 3/73728 650.0 6.084 6.084 0.187 0.000 -0.000 -0.000 3/73728 660.0 5.995 5.995 0.185 0.000 -0.000 -0.000 3/73728 670.0 5.907 5.907 0.182 0.000 -0.000 -0.000 3/73728 680.0 5.823 5.823 0.180 0.000 -0.000 -0.000 3/73728 690.0 5.740 5.740 0.177 0.000 -0.000 -0.000 3/73728 700.0 5.660 5.660 0.175 0.000 -0.000 -0.000 3/73728 710.0 5.582 5.582 0.173 0.000 -0.000 -0.000 3/73728 720.0 5.507 5.507 0.171 0.000 -0.000 -0.000 3/73728 730.0 5.433 5.433 0.168 0.000 -0.000 -0.000 3/73728 740.0 5.361 5.361 0.166 0.000 -0.000 -0.000 3/73728 750.0 5.291 5.291 0.164 0.000 -0.000 -0.000 3/73728 760.0 5.223 5.223 0.162 0.000 -0.000 -0.000 3/73728 770.0 5.157 5.157 0.160 0.000 -0.000 -0.000 3/73728 780.0 5.092 5.092 0.158 0.000 -0.000 -0.000 3/73728 790.0 5.029 5.029 0.157 0.000 -0.000 -0.000 3/73728 800.0 4.968 4.968 0.155 0.000 -0.000 -0.000 3/73728 810.0 4.908 4.908 0.153 0.000 -0.000 -0.000 3/73728 820.0 4.849 4.849 0.151 0.000 -0.000 -0.000 3/73728 830.0 4.792 4.792 0.149 0.000 -0.000 -0.000 3/73728 840.0 4.736 4.736 0.148 0.000 -0.000 -0.000 3/73728 850.0 4.681 4.681 0.146 0.000 -0.000 -0.000 3/73728 860.0 4.628 4.628 0.145 0.000 -0.000 -0.000 3/73728 870.0 4.576 4.576 0.143 0.000 -0.000 -0.000 3/73728 880.0 4.525 4.525 0.141 0.000 -0.000 -0.000 3/73728 890.0 4.475 4.475 0.140 0.000 -0.000 -0.000 3/73728 900.0 4.426 4.426 0.139 0.000 -0.000 -0.000 3/73728 910.0 4.379 4.379 0.137 0.000 -0.000 -0.000 3/73728 920.0 4.332 4.332 0.136 0.000 -0.000 -0.000 3/73728 930.0 4.286 4.286 0.134 0.000 -0.000 -0.000 3/73728 940.0 4.242 4.242 0.133 0.000 -0.000 -0.000 3/73728 950.0 4.198 4.198 0.132 0.000 -0.000 -0.000 3/73728 960.0 4.155 4.155 0.130 0.000 -0.000 -0.000 3/73728 970.0 4.113 4.113 0.129 0.000 -0.000 -0.000 3/73728 980.0 4.072 4.072 0.128 0.000 -0.000 -0.000 3/73728 990.0 4.031 4.031 0.127 0.000 -0.000 -0.000 3/73728 1000.0 3.992 3.992 0.125 0.000 -0.000 -0.000 3/73728 Thermal conductivity related properties were written into "kappa-m161616.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:38:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|