----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:59:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.608925720000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.926367990000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.487388500000000 Atomic positions (fractional): *1 Cd 0.45253052570968 0.75000000000000 0.01249701775414 112.411 2 Cd 0.95253052570968 0.75000000000000 0.48750298224586 112.411 3 Cd 0.04746947429032 0.25000000000000 0.51249701775414 112.411 4 Cd 0.54746947429032 0.25000000000000 0.98750298224586 112.411 *5 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 6 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 7 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 8 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 *9 O 0.94680012874548 0.25000000000000 0.11524062260824 15.999 *10 O 0.69742904443940 0.56214065275751 0.19399569381244 15.999 11 O 0.69742904443940 0.93785934724249 0.19399569381244 15.999 12 O 0.19742904443940 0.56214065275751 0.30600430618755 15.999 13 O 0.19742904443940 0.93785934724249 0.30600430618755 15.999 14 O 0.44680012874548 0.25000000000000 0.38475937739176 15.999 15 O 0.55319987125452 0.75000000000000 0.61524062260824 15.999 16 O 0.80257095556060 0.06214065275751 0.69399569381244 15.999 17 O 0.80257095556060 0.43785934724249 0.69399569381244 15.999 18 O 0.30257095556060 0.06214065275751 0.80600430618756 15.999 19 O 0.30257095556060 0.43785934724249 0.80600430618756 15.999 20 O 0.05319987125452 0.75000000000000 0.88475937739176 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.608925720000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.926367990000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.487388500000000 Atomic positions (fractional): *1 Cd 0.45253052570968 0.75000000000000 0.01249701775414 112.411 > 1 2 Cd 0.95253052570968 0.75000000000000 0.48750298224586 112.411 > 2 3 Cd 0.04746947429032 0.25000000000000 0.51249701775414 112.411 > 3 4 Cd 0.54746947429032 0.25000000000000 0.98750298224586 112.411 > 4 *5 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 5 6 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 6 7 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 7 8 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 8 *9 O 0.94680012874548 0.25000000000000 0.11524062260824 15.999 > 9 *10 O 0.69742904443940 0.56214065275751 0.19399569381244 15.999 > 10 11 O 0.69742904443940 0.93785934724249 0.19399569381244 15.999 > 11 12 O 0.19742904443940 0.56214065275751 0.30600430618755 15.999 > 12 13 O 0.19742904443940 0.93785934724249 0.30600430618755 15.999 > 13 14 O 0.44680012874548 0.25000000000000 0.38475937739176 15.999 > 14 15 O 0.55319987125452 0.75000000000000 0.61524062260824 15.999 > 15 16 O 0.80257095556060 0.06214065275751 0.69399569381244 15.999 > 16 17 O 0.80257095556060 0.43785934724249 0.69399569381244 15.999 > 17 18 O 0.30257095556060 0.06214065275751 0.80600430618756 15.999 > 18 19 O 0.30257095556060 0.43785934724249 0.80600430618756 15.999 > 19 20 O 0.05319987125452 0.75000000000000 0.88475937739176 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.217851440000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.926367990000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.974777000000000 Atomic positions (fractional): *1 Cd 0.22626526285484 0.75000000000000 0.00624850887707 112.411 > 1 2 Cd 0.72626526285484 0.75000000000000 0.00624850887707 112.411 > 1 3 Cd 0.22626526285484 0.75000000000000 0.50624850887707 112.411 > 1 4 Cd 0.72626526285484 0.75000000000000 0.50624850887707 112.411 > 1 5 Cd 0.47626526285484 0.75000000000000 0.24375149112293 112.411 > 2 6 Cd 0.97626526285484 0.75000000000000 0.24375149112293 112.411 > 2 7 Cd 0.47626526285484 0.75000000000000 0.74375149112293 112.411 > 2 8 Cd 0.97626526285484 0.75000000000000 0.74375149112293 112.411 > 2 9 Cd 0.02373473714516 0.25000000000000 0.25624850887707 112.411 > 3 10 Cd 0.52373473714516 0.25000000000000 0.25624850887707 112.411 > 3 11 Cd 0.02373473714516 0.25000000000000 0.75624850887707 112.411 > 3 12 Cd 0.52373473714516 0.25000000000000 0.75624850887707 112.411 > 3 13 Cd 0.27373473714516 0.25000000000000 0.49375149112293 112.411 > 4 14 Cd 0.77373473714516 0.25000000000000 0.49375149112293 112.411 > 4 15 Cd 0.27373473714516 0.25000000000000 0.99375149112293 112.411 > 4 16 Cd 0.77373473714516 0.25000000000000 0.99375149112293 112.411 > 4 *17 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 5 18 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 5 19 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 5 20 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 5 21 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 6 22 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 6 23 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 6 24 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 6 25 Sn 0.25000000000000 0.00000000000000 0.25000000000000 118.710 > 7 26 Sn 0.75000000000000 0.00000000000000 0.25000000000000 118.710 > 7 27 Sn 0.25000000000000 0.00000000000000 0.75000000000000 118.710 > 7 28 Sn 0.75000000000000 0.00000000000000 0.75000000000000 118.710 > 7 29 Sn 0.25000000000000 0.50000000000000 0.25000000000000 118.710 > 8 30 Sn 0.75000000000000 0.50000000000000 0.25000000000000 118.710 > 8 31 Sn 0.25000000000000 0.50000000000000 0.75000000000000 118.710 > 8 32 Sn 0.75000000000000 0.50000000000000 0.75000000000000 118.710 > 8 *33 O 0.47340006437274 0.25000000000000 0.05762031130412 15.999 > 9 34 O 0.97340006437274 0.25000000000000 0.05762031130412 15.999 > 9 35 O 0.47340006437274 0.25000000000000 0.55762031130412 15.999 > 9 36 O 0.97340006437274 0.25000000000000 0.55762031130412 15.999 > 9 *37 O 0.34871452221970 0.56214065275751 0.09699784690622 15.999 > 10 38 O 0.84871452221970 0.56214065275751 0.09699784690622 15.999 > 10 39 O 0.34871452221970 0.56214065275751 0.59699784690622 15.999 > 10 40 O 0.84871452221970 0.56214065275751 0.59699784690622 15.999 > 10 41 O 0.34871452221970 0.93785934724249 0.09699784690622 15.999 > 11 42 O 0.84871452221970 0.93785934724249 0.09699784690622 15.999 > 11 43 O 0.34871452221970 0.93785934724249 0.59699784690622 15.999 > 11 44 O 0.84871452221970 0.93785934724249 0.59699784690622 15.999 > 11 45 O 0.09871452221970 0.56214065275751 0.15300215309378 15.999 > 12 46 O 0.59871452221970 0.56214065275751 0.15300215309378 15.999 > 12 47 O 0.09871452221970 0.56214065275751 0.65300215309378 15.999 > 12 48 O 0.59871452221970 0.56214065275751 0.65300215309378 15.999 > 12 49 O 0.09871452221970 0.93785934724249 0.15300215309378 15.999 > 13 50 O 0.59871452221970 0.93785934724249 0.15300215309378 15.999 > 13 51 O 0.09871452221970 0.93785934724249 0.65300215309378 15.999 > 13 52 O 0.59871452221970 0.93785934724249 0.65300215309378 15.999 > 13 53 O 0.22340006437274 0.25000000000000 0.19237968869588 15.999 > 14 54 O 0.72340006437274 0.25000000000000 0.19237968869588 15.999 > 14 55 O 0.22340006437274 0.25000000000000 0.69237968869588 15.999 > 14 56 O 0.72340006437274 0.25000000000000 0.69237968869588 15.999 > 14 57 O 0.27659993562726 0.75000000000000 0.30762031130412 15.999 > 15 58 O 0.77659993562726 0.75000000000000 0.30762031130412 15.999 > 15 59 O 0.27659993562726 0.75000000000000 0.80762031130412 15.999 > 15 60 O 0.77659993562726 0.75000000000000 0.80762031130412 15.999 > 15 61 O 0.40128547778030 0.06214065275751 0.34699784690622 15.999 > 16 62 O 0.90128547778030 0.06214065275751 0.34699784690622 15.999 > 16 63 O 0.40128547778030 0.06214065275751 0.84699784690622 15.999 > 16 64 O 0.90128547778030 0.06214065275751 0.84699784690622 15.999 > 16 65 O 0.40128547778030 0.43785934724249 0.34699784690622 15.999 > 17 66 O 0.90128547778030 0.43785934724249 0.34699784690622 15.999 > 17 67 O 0.40128547778030 0.43785934724249 0.84699784690622 15.999 > 17 68 O 0.90128547778030 0.43785934724249 0.84699784690622 15.999 > 17 69 O 0.15128547778030 0.06214065275751 0.40300215309378 15.999 > 18 70 O 0.65128547778030 0.06214065275751 0.40300215309378 15.999 > 18 71 O 0.15128547778030 0.06214065275751 0.90300215309378 15.999 > 18 72 O 0.65128547778030 0.06214065275751 0.90300215309378 15.999 > 18 73 O 0.15128547778030 0.43785934724249 0.40300215309378 15.999 > 19 74 O 0.65128547778030 0.43785934724249 0.40300215309378 15.999 > 19 75 O 0.15128547778030 0.43785934724249 0.90300215309378 15.999 > 19 76 O 0.65128547778030 0.43785934724249 0.90300215309378 15.999 > 19 77 O 0.02659993562726 0.75000000000000 0.44237968869588 15.999 > 20 78 O 0.52659993562726 0.75000000000000 0.44237968869588 15.999 > 20 79 O 0.02659993562726 0.75000000000000 0.94237968869588 15.999 > 20 80 O 0.52659993562726 0.75000000000000 0.94237968869588 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4991840 0.0000000 0.0000000 0.0000000 5.6106207 0.0000000 0.0000000 0.0000000 5.4332988 -------------------------- Born effective charges -------------------------- 1 Cd 2.5389576 0.0000000 0.0801270 0.0000000 2.4758218 0.0000000 0.0868657 0.0000000 2.5270436 2 Cd 2.5389576 0.0000000 -0.0801270 0.0000000 2.4758218 0.0000000 -0.0868657 0.0000000 2.5270436 3 Cd 2.5389576 0.0000000 -0.0801270 0.0000000 2.4758218 0.0000000 -0.0868657 0.0000000 2.5270436 4 Cd 2.5389576 0.0000000 0.0801270 0.0000000 2.4758218 0.0000000 0.0868657 0.0000000 2.5270436 5 Sn 4.2089834 -0.1401435 0.0864233 -0.1669048 4.1978804 0.1127049 -0.2200041 -0.2581901 4.1835052 6 Sn 4.2089834 0.1401435 0.0864233 0.1669048 4.1978804 -0.1127049 -0.2200041 0.2581901 4.1835052 7 Sn 4.2089834 -0.1401435 -0.0864233 -0.1669048 4.1978804 -0.1127049 0.2200041 0.2581901 4.1835052 8 Sn 4.2089834 0.1401435 -0.0864233 0.1669048 4.1978804 0.1127049 0.2200041 -0.2581901 4.1835052 9 O -1.8084967 0.0000000 -0.1944457 0.0000000 -2.8760310 0.0000000 -0.0839618 0.0000000 -2.0023496 10 O -2.4697221 0.0680266 0.5136042 0.1167807 -1.8988356 -0.0103153 0.4790328 -0.0133670 -2.3540996 11 O -2.4697221 -0.0680266 0.5136042 -0.1167807 -1.8988356 0.0103153 0.4790328 0.0133670 -2.3540996 12 O -2.4697221 0.0680266 -0.5136042 0.1167807 -1.8988356 0.0103153 -0.4790328 0.0133670 -2.3540996 13 O -2.4697221 -0.0680266 -0.5136042 -0.1167807 -1.8988356 -0.0103153 -0.4790328 -0.0133670 -2.3540996 14 O -1.8084967 0.0000000 0.1944457 0.0000000 -2.8760310 0.0000000 0.0839618 0.0000000 -2.0023496 15 O -1.8084967 0.0000000 0.1944457 0.0000000 -2.8760310 0.0000000 0.0839618 0.0000000 -2.0023496 16 O -2.4697221 -0.0680266 -0.5136042 -0.1167807 -1.8988356 -0.0103153 -0.4790328 -0.0133670 -2.3540996 17 O -2.4697221 0.0680266 -0.5136042 0.1167807 -1.8988356 0.0103153 -0.4790328 0.0133670 -2.3540996 18 O -2.4697221 -0.0680266 0.5136042 -0.1167807 -1.8988356 0.0103153 0.4790328 0.0133670 -2.3540996 19 O -2.4697221 0.0680266 0.5136042 0.1167807 -1.8988356 -0.0103153 0.4790328 -0.0133670 -2.3540996 20 O -1.8084967 0.0000000 -0.1944457 0.0000000 -2.8760310 0.0000000 -0.0839618 0.0000000 -2.0023496 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.750 Solver_block: 200 / 320 - Time: 0.747 Solver_block: 300 / 320 - Time: 0.745 Solver_block: 320 / 320 - Time: 0.194 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.451 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) 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 2026-01-09 03:59:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:59:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.608925720000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.926367990000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.487388500000000 Atomic positions (fractional): 1 Cd 0.45253052570968 0.75000000000000 0.01249701775414 112.411 2 Cd 0.95253052570968 0.75000000000000 0.48750298224586 112.411 3 Cd 0.04746947429032 0.25000000000000 0.51249701775414 112.411 4 Cd 0.54746947429032 0.25000000000000 0.98750298224586 112.411 5 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 6 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 7 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 8 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 9 O 0.94680012874548 0.25000000000000 0.11524062260824 15.999 10 O 0.69742904443940 0.56214065275751 0.19399569381244 15.999 11 O 0.69742904443940 0.93785934724249 0.19399569381244 15.999 12 O 0.19742904443940 0.56214065275751 0.30600430618755 15.999 13 O 0.19742904443940 0.93785934724249 0.30600430618755 15.999 14 O 0.44680012874548 0.25000000000000 0.38475937739176 15.999 15 O 0.55319987125452 0.75000000000000 0.61524062260824 15.999 16 O 0.80257095556060 0.06214065275751 0.69399569381244 15.999 17 O 0.80257095556060 0.43785934724249 0.69399569381244 15.999 18 O 0.30257095556060 0.06214065275751 0.80600430618756 15.999 19 O 0.30257095556060 0.43785934724249 0.80600430618756 15.999 20 O 0.05319987125452 0.75000000000000 0.88475937739176 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.217851440000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.926367990000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.974777000000000 Atomic positions (fractional): 1 Cd 0.22626526285484 0.75000000000000 0.00624850887707 112.411 > 1 2 Cd 0.72626526285484 0.75000000000000 0.00624850887707 112.411 > 1 3 Cd 0.22626526285484 0.75000000000000 0.50624850887707 112.411 > 1 4 Cd 0.72626526285484 0.75000000000000 0.50624850887707 112.411 > 1 5 Cd 0.47626526285484 0.75000000000000 0.24375149112293 112.411 > 5 6 Cd 0.97626526285484 0.75000000000000 0.24375149112293 112.411 > 5 7 Cd 0.47626526285484 0.75000000000000 0.74375149112293 112.411 > 5 8 Cd 0.97626526285484 0.75000000000000 0.74375149112293 112.411 > 5 9 Cd 0.02373473714516 0.25000000000000 0.25624850887707 112.411 > 9 10 Cd 0.52373473714516 0.25000000000000 0.25624850887707 112.411 > 9 11 Cd 0.02373473714516 0.25000000000000 0.75624850887707 112.411 > 9 12 Cd 0.52373473714516 0.25000000000000 0.75624850887707 112.411 > 9 13 Cd 0.27373473714516 0.25000000000000 0.49375149112293 112.411 > 13 14 Cd 0.77373473714516 0.25000000000000 0.49375149112293 112.411 > 13 15 Cd 0.27373473714516 0.25000000000000 0.99375149112293 112.411 > 13 16 Cd 0.77373473714516 0.25000000000000 0.99375149112293 112.411 > 13 17 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 17 18 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 17 19 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 17 20 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 17 21 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 21 22 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 21 23 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 21 24 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 21 25 Sn 0.25000000000000 0.00000000000000 0.25000000000000 118.710 > 25 26 Sn 0.75000000000000 0.00000000000000 0.25000000000000 118.710 > 25 27 Sn 0.25000000000000 0.00000000000000 0.75000000000000 118.710 > 25 28 Sn 0.75000000000000 0.00000000000000 0.75000000000000 118.710 > 25 29 Sn 0.25000000000000 0.50000000000000 0.25000000000000 118.710 > 29 30 Sn 0.75000000000000 0.50000000000000 0.25000000000000 118.710 > 29 31 Sn 0.25000000000000 0.50000000000000 0.75000000000000 118.710 > 29 32 Sn 0.75000000000000 0.50000000000000 0.75000000000000 118.710 > 29 33 O 0.47340006437274 0.25000000000000 0.05762031130412 15.999 > 33 34 O 0.97340006437274 0.25000000000000 0.05762031130412 15.999 > 33 35 O 0.47340006437274 0.25000000000000 0.55762031130412 15.999 > 33 36 O 0.97340006437274 0.25000000000000 0.55762031130412 15.999 > 33 37 O 0.34871452221970 0.56214065275751 0.09699784690622 15.999 > 37 38 O 0.84871452221970 0.56214065275751 0.09699784690622 15.999 > 37 39 O 0.34871452221970 0.56214065275751 0.59699784690622 15.999 > 37 40 O 0.84871452221970 0.56214065275751 0.59699784690622 15.999 > 37 41 O 0.34871452221970 0.93785934724249 0.09699784690622 15.999 > 41 42 O 0.84871452221970 0.93785934724249 0.09699784690622 15.999 > 41 43 O 0.34871452221970 0.93785934724249 0.59699784690622 15.999 > 41 44 O 0.84871452221970 0.93785934724249 0.59699784690622 15.999 > 41 45 O 0.09871452221970 0.56214065275751 0.15300215309378 15.999 > 45 46 O 0.59871452221970 0.56214065275751 0.15300215309378 15.999 > 45 47 O 0.09871452221970 0.56214065275751 0.65300215309378 15.999 > 45 48 O 0.59871452221970 0.56214065275751 0.65300215309378 15.999 > 45 49 O 0.09871452221970 0.93785934724249 0.15300215309378 15.999 > 49 50 O 0.59871452221970 0.93785934724249 0.15300215309378 15.999 > 49 51 O 0.09871452221970 0.93785934724249 0.65300215309378 15.999 > 49 52 O 0.59871452221970 0.93785934724249 0.65300215309378 15.999 > 49 53 O 0.22340006437274 0.25000000000000 0.19237968869588 15.999 > 53 54 O 0.72340006437274 0.25000000000000 0.19237968869588 15.999 > 53 55 O 0.22340006437274 0.25000000000000 0.69237968869588 15.999 > 53 56 O 0.72340006437274 0.25000000000000 0.69237968869588 15.999 > 53 57 O 0.27659993562726 0.75000000000000 0.30762031130412 15.999 > 57 58 O 0.77659993562726 0.75000000000000 0.30762031130412 15.999 > 57 59 O 0.27659993562726 0.75000000000000 0.80762031130412 15.999 > 57 60 O 0.77659993562726 0.75000000000000 0.80762031130412 15.999 > 57 61 O 0.40128547778030 0.06214065275751 0.34699784690622 15.999 > 61 62 O 0.90128547778030 0.06214065275751 0.34699784690622 15.999 > 61 63 O 0.40128547778030 0.06214065275751 0.84699784690622 15.999 > 61 64 O 0.90128547778030 0.06214065275751 0.84699784690622 15.999 > 61 65 O 0.40128547778030 0.43785934724249 0.34699784690622 15.999 > 65 66 O 0.90128547778030 0.43785934724249 0.34699784690622 15.999 > 65 67 O 0.40128547778030 0.43785934724249 0.84699784690622 15.999 > 65 68 O 0.90128547778030 0.43785934724249 0.84699784690622 15.999 > 65 69 O 0.15128547778030 0.06214065275751 0.40300215309378 15.999 > 69 70 O 0.65128547778030 0.06214065275751 0.40300215309378 15.999 > 69 71 O 0.15128547778030 0.06214065275751 0.90300215309378 15.999 > 69 72 O 0.65128547778030 0.06214065275751 0.90300215309378 15.999 > 69 73 O 0.15128547778030 0.43785934724249 0.40300215309378 15.999 > 73 74 O 0.65128547778030 0.43785934724249 0.40300215309378 15.999 > 73 75 O 0.15128547778030 0.43785934724249 0.90300215309378 15.999 > 73 76 O 0.65128547778030 0.43785934724249 0.90300215309378 15.999 > 73 77 O 0.02659993562726 0.75000000000000 0.44237968869588 15.999 > 77 78 O 0.52659993562726 0.75000000000000 0.44237968869588 15.999 > 77 79 O 0.02659993562726 0.75000000000000 0.94237968869588 15.999 > 77 80 O 0.52659993562726 0.75000000000000 0.94237968869588 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4991840 0.0000000 0.0000000 0.0000000 5.6106207 0.0000000 0.0000000 0.0000000 5.4332988 -------------------------- Born effective charges -------------------------- 1 Cd 2.5389576 0.0000000 0.0801270 0.0000000 2.4758218 0.0000000 0.0868657 0.0000000 2.5270436 2 Cd 2.5389576 0.0000000 -0.0801270 0.0000000 2.4758218 0.0000000 -0.0868657 0.0000000 2.5270436 3 Cd 2.5389576 0.0000000 -0.0801270 0.0000000 2.4758218 0.0000000 -0.0868657 0.0000000 2.5270436 4 Cd 2.5389576 0.0000000 0.0801270 0.0000000 2.4758218 0.0000000 0.0868657 0.0000000 2.5270436 5 Sn 4.2089834 -0.1401435 0.0864233 -0.1669048 4.1978804 0.1127049 -0.2200041 -0.2581901 4.1835052 6 Sn 4.2089834 0.1401435 0.0864233 0.1669048 4.1978804 -0.1127049 -0.2200041 0.2581901 4.1835052 7 Sn 4.2089834 -0.1401435 -0.0864233 -0.1669048 4.1978804 -0.1127049 0.2200041 0.2581901 4.1835052 8 Sn 4.2089834 0.1401435 -0.0864233 0.1669048 4.1978804 0.1127049 0.2200041 -0.2581901 4.1835052 9 O -1.8084967 0.0000000 -0.1944457 0.0000000 -2.8760310 0.0000000 -0.0839618 0.0000000 -2.0023496 10 O -2.4697221 0.0680266 0.5136042 0.1167807 -1.8988356 -0.0103153 0.4790328 -0.0133670 -2.3540996 11 O -2.4697221 -0.0680266 0.5136042 -0.1167807 -1.8988356 0.0103153 0.4790328 0.0133670 -2.3540996 12 O -2.4697221 0.0680266 -0.5136042 0.1167807 -1.8988356 0.0103153 -0.4790328 0.0133670 -2.3540996 13 O -2.4697221 -0.0680266 -0.5136042 -0.1167807 -1.8988356 -0.0103153 -0.4790328 -0.0133670 -2.3540996 14 O -1.8084967 0.0000000 0.1944457 0.0000000 -2.8760310 0.0000000 0.0839618 0.0000000 -2.0023496 15 O -1.8084967 0.0000000 0.1944457 0.0000000 -2.8760310 0.0000000 0.0839618 0.0000000 -2.0023496 16 O -2.4697221 -0.0680266 -0.5136042 -0.1167807 -1.8988356 -0.0103153 -0.4790328 -0.0133670 -2.3540996 17 O -2.4697221 0.0680266 -0.5136042 0.1167807 -1.8988356 0.0103153 -0.4790328 0.0133670 -2.3540996 18 O -2.4697221 -0.0680266 0.5136042 -0.1167807 -1.8988356 0.0103153 0.4790328 0.0133670 -2.3540996 19 O -2.4697221 0.0680266 0.5136042 0.1167807 -1.8988356 -0.0103153 0.4790328 -0.0133670 -2.3540996 20 O -1.8084967 0.0000000 -0.1944457 0.0000000 -2.8760310 0.0000000 -0.0839618 0.0000000 -2.0023496 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000006 (yxy) -0.00000006 (yxy) -0.00000006 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000007 (xz) 0.00000007 (xz) 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 2026-01-09 03:59:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:59:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.608925720000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.926367990000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.487388500000000 Atomic positions (fractional): 1 Cd 0.45253052570968 0.75000000000000 0.01249701775414 112.411 2 Cd 0.95253052570968 0.75000000000000 0.48750298224586 112.411 3 Cd 0.04746947429032 0.25000000000000 0.51249701775414 112.411 4 Cd 0.54746947429032 0.25000000000000 0.98750298224586 112.411 5 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 6 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 7 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 8 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 9 O 0.94680012874548 0.25000000000000 0.11524062260824 15.999 10 O 0.69742904443940 0.56214065275751 0.19399569381244 15.999 11 O 0.69742904443940 0.93785934724249 0.19399569381244 15.999 12 O 0.19742904443940 0.56214065275751 0.30600430618755 15.999 13 O 0.19742904443940 0.93785934724249 0.30600430618755 15.999 14 O 0.44680012874548 0.25000000000000 0.38475937739176 15.999 15 O 0.55319987125452 0.75000000000000 0.61524062260824 15.999 16 O 0.80257095556060 0.06214065275751 0.69399569381244 15.999 17 O 0.80257095556060 0.43785934724249 0.69399569381244 15.999 18 O 0.30257095556060 0.06214065275751 0.80600430618756 15.999 19 O 0.30257095556060 0.43785934724249 0.80600430618756 15.999 20 O 0.05319987125452 0.75000000000000 0.88475937739176 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.217851440000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.926367990000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.974777000000000 Atomic positions (fractional): 1 Cd 0.22626526285484 0.75000000000000 0.00624850887707 112.411 > 1 2 Cd 0.72626526285484 0.75000000000000 0.00624850887707 112.411 > 1 3 Cd 0.22626526285484 0.75000000000000 0.50624850887707 112.411 > 1 4 Cd 0.72626526285484 0.75000000000000 0.50624850887707 112.411 > 1 5 Cd 0.47626526285484 0.75000000000000 0.24375149112293 112.411 > 5 6 Cd 0.97626526285484 0.75000000000000 0.24375149112293 112.411 > 5 7 Cd 0.47626526285484 0.75000000000000 0.74375149112293 112.411 > 5 8 Cd 0.97626526285484 0.75000000000000 0.74375149112293 112.411 > 5 9 Cd 0.02373473714516 0.25000000000000 0.25624850887707 112.411 > 9 10 Cd 0.52373473714516 0.25000000000000 0.25624850887707 112.411 > 9 11 Cd 0.02373473714516 0.25000000000000 0.75624850887707 112.411 > 9 12 Cd 0.52373473714516 0.25000000000000 0.75624850887707 112.411 > 9 13 Cd 0.27373473714516 0.25000000000000 0.49375149112293 112.411 > 13 14 Cd 0.77373473714516 0.25000000000000 0.49375149112293 112.411 > 13 15 Cd 0.27373473714516 0.25000000000000 0.99375149112293 112.411 > 13 16 Cd 0.77373473714516 0.25000000000000 0.99375149112293 112.411 > 13 17 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 17 18 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 17 19 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 17 20 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 17 21 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 21 22 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 21 23 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 21 24 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 21 25 Sn 0.25000000000000 0.00000000000000 0.25000000000000 118.710 > 25 26 Sn 0.75000000000000 0.00000000000000 0.25000000000000 118.710 > 25 27 Sn 0.25000000000000 0.00000000000000 0.75000000000000 118.710 > 25 28 Sn 0.75000000000000 0.00000000000000 0.75000000000000 118.710 > 25 29 Sn 0.25000000000000 0.50000000000000 0.25000000000000 118.710 > 29 30 Sn 0.75000000000000 0.50000000000000 0.25000000000000 118.710 > 29 31 Sn 0.25000000000000 0.50000000000000 0.75000000000000 118.710 > 29 32 Sn 0.75000000000000 0.50000000000000 0.75000000000000 118.710 > 29 33 O 0.47340006437274 0.25000000000000 0.05762031130412 15.999 > 33 34 O 0.97340006437274 0.25000000000000 0.05762031130412 15.999 > 33 35 O 0.47340006437274 0.25000000000000 0.55762031130412 15.999 > 33 36 O 0.97340006437274 0.25000000000000 0.55762031130412 15.999 > 33 37 O 0.34871452221970 0.56214065275751 0.09699784690622 15.999 > 37 38 O 0.84871452221970 0.56214065275751 0.09699784690622 15.999 > 37 39 O 0.34871452221970 0.56214065275751 0.59699784690622 15.999 > 37 40 O 0.84871452221970 0.56214065275751 0.59699784690622 15.999 > 37 41 O 0.34871452221970 0.93785934724249 0.09699784690622 15.999 > 41 42 O 0.84871452221970 0.93785934724249 0.09699784690622 15.999 > 41 43 O 0.34871452221970 0.93785934724249 0.59699784690622 15.999 > 41 44 O 0.84871452221970 0.93785934724249 0.59699784690622 15.999 > 41 45 O 0.09871452221970 0.56214065275751 0.15300215309378 15.999 > 45 46 O 0.59871452221970 0.56214065275751 0.15300215309378 15.999 > 45 47 O 0.09871452221970 0.56214065275751 0.65300215309378 15.999 > 45 48 O 0.59871452221970 0.56214065275751 0.65300215309378 15.999 > 45 49 O 0.09871452221970 0.93785934724249 0.15300215309378 15.999 > 49 50 O 0.59871452221970 0.93785934724249 0.15300215309378 15.999 > 49 51 O 0.09871452221970 0.93785934724249 0.65300215309378 15.999 > 49 52 O 0.59871452221970 0.93785934724249 0.65300215309378 15.999 > 49 53 O 0.22340006437274 0.25000000000000 0.19237968869588 15.999 > 53 54 O 0.72340006437274 0.25000000000000 0.19237968869588 15.999 > 53 55 O 0.22340006437274 0.25000000000000 0.69237968869588 15.999 > 53 56 O 0.72340006437274 0.25000000000000 0.69237968869588 15.999 > 53 57 O 0.27659993562726 0.75000000000000 0.30762031130412 15.999 > 57 58 O 0.77659993562726 0.75000000000000 0.30762031130412 15.999 > 57 59 O 0.27659993562726 0.75000000000000 0.80762031130412 15.999 > 57 60 O 0.77659993562726 0.75000000000000 0.80762031130412 15.999 > 57 61 O 0.40128547778030 0.06214065275751 0.34699784690622 15.999 > 61 62 O 0.90128547778030 0.06214065275751 0.34699784690622 15.999 > 61 63 O 0.40128547778030 0.06214065275751 0.84699784690622 15.999 > 61 64 O 0.90128547778030 0.06214065275751 0.84699784690622 15.999 > 61 65 O 0.40128547778030 0.43785934724249 0.34699784690622 15.999 > 65 66 O 0.90128547778030 0.43785934724249 0.34699784690622 15.999 > 65 67 O 0.40128547778030 0.43785934724249 0.84699784690622 15.999 > 65 68 O 0.90128547778030 0.43785934724249 0.84699784690622 15.999 > 65 69 O 0.15128547778030 0.06214065275751 0.40300215309378 15.999 > 69 70 O 0.65128547778030 0.06214065275751 0.40300215309378 15.999 > 69 71 O 0.15128547778030 0.06214065275751 0.90300215309378 15.999 > 69 72 O 0.65128547778030 0.06214065275751 0.90300215309378 15.999 > 69 73 O 0.15128547778030 0.43785934724249 0.40300215309378 15.999 > 73 74 O 0.65128547778030 0.43785934724249 0.40300215309378 15.999 > 73 75 O 0.15128547778030 0.43785934724249 0.90300215309378 15.999 > 73 76 O 0.65128547778030 0.43785934724249 0.90300215309378 15.999 > 73 77 O 0.02659993562726 0.75000000000000 0.44237968869588 15.999 > 77 78 O 0.52659993562726 0.75000000000000 0.44237968869588 15.999 > 77 79 O 0.02659993562726 0.75000000000000 0.94237968869588 15.999 > 77 80 O 0.52659993562726 0.75000000000000 0.94237968869588 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.4991840 0.0000000 0.0000000 0.0000000 5.6106207 0.0000000 0.0000000 0.0000000 5.4332988 -------------------------- Born effective charges -------------------------- 1 Cd 2.5389576 0.0000000 0.0801270 0.0000000 2.4758218 0.0000000 0.0868657 0.0000000 2.5270436 2 Cd 2.5389576 0.0000000 -0.0801270 0.0000000 2.4758218 0.0000000 -0.0868657 0.0000000 2.5270436 3 Cd 2.5389576 0.0000000 -0.0801270 0.0000000 2.4758218 0.0000000 -0.0868657 0.0000000 2.5270436 4 Cd 2.5389576 0.0000000 0.0801270 0.0000000 2.4758218 0.0000000 0.0868657 0.0000000 2.5270436 5 Sn 4.2089834 -0.1401435 0.0864233 -0.1669048 4.1978804 0.1127049 -0.2200041 -0.2581901 4.1835052 6 Sn 4.2089834 0.1401435 0.0864233 0.1669048 4.1978804 -0.1127049 -0.2200041 0.2581901 4.1835052 7 Sn 4.2089834 -0.1401435 -0.0864233 -0.1669048 4.1978804 -0.1127049 0.2200041 0.2581901 4.1835052 8 Sn 4.2089834 0.1401435 -0.0864233 0.1669048 4.1978804 0.1127049 0.2200041 -0.2581901 4.1835052 9 O -1.8084967 0.0000000 -0.1944457 0.0000000 -2.8760310 0.0000000 -0.0839618 0.0000000 -2.0023496 10 O -2.4697221 0.0680266 0.5136042 0.1167807 -1.8988356 -0.0103153 0.4790328 -0.0133670 -2.3540996 11 O -2.4697221 -0.0680266 0.5136042 -0.1167807 -1.8988356 0.0103153 0.4790328 0.0133670 -2.3540996 12 O -2.4697221 0.0680266 -0.5136042 0.1167807 -1.8988356 0.0103153 -0.4790328 0.0133670 -2.3540996 13 O -2.4697221 -0.0680266 -0.5136042 -0.1167807 -1.8988356 -0.0103153 -0.4790328 -0.0133670 -2.3540996 14 O -1.8084967 0.0000000 0.1944457 0.0000000 -2.8760310 0.0000000 0.0839618 0.0000000 -2.0023496 15 O -1.8084967 0.0000000 0.1944457 0.0000000 -2.8760310 0.0000000 0.0839618 0.0000000 -2.0023496 16 O -2.4697221 -0.0680266 -0.5136042 -0.1167807 -1.8988356 -0.0103153 -0.4790328 -0.0133670 -2.3540996 17 O -2.4697221 0.0680266 -0.5136042 0.1167807 -1.8988356 0.0103153 -0.4790328 0.0133670 -2.3540996 18 O -2.4697221 -0.0680266 0.5136042 -0.1167807 -1.8988356 0.0103153 0.4790328 0.0133670 -2.3540996 19 O -2.4697221 0.0680266 0.5136042 0.1167807 -1.8988356 -0.0103153 0.4790328 -0.0133670 -2.3540996 20 O -1.8084967 0.0000000 -0.1944457 0.0000000 -2.8760310 0.0000000 -0.0839618 0.0000000 -2.0023496 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000006 (yxy) -0.00000006 (yxy) -0.00000006 (yyx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 9 6 9 ] 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: 0.66, Number of G-points: 307, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.209 ( 0.000 0.000 0.000) 0.000 2.318 ( 0.000 0.000 0.000) 0.000 2.568 ( 0.000 0.000 0.000) 0.000 2.710 ( 0.000 0.000 0.000) 0.000 2.922 ( 0.000 0.000 0.000) 0.000 3.005 ( 0.000 0.000 0.000) 0.000 3.359 ( 0.000 0.000 0.000) 0.000 3.502 ( 0.000 0.000 0.000) 0.000 3.507 ( 0.000 0.000 0.000) 0.000 3.630 ( 0.000 0.000 0.000) 0.000 3.725 ( 0.000 0.000 0.000) 0.000 4.011 ( 0.000 0.000 0.000) 0.000 4.290 ( 0.000 0.000 0.000) 0.000 4.295 ( 0.000 0.000 0.000) 0.000 4.434 ( 0.000 0.000 0.000) 0.000 4.493 ( 0.000 0.000 0.000) 0.000 4.895 ( 0.000 0.000 0.000) 0.000 5.517 ( 0.000 0.000 0.000) 0.000 5.598 ( 0.000 0.000 0.000) 0.000 5.623 ( 0.000 0.000 0.000) 0.000 6.294 ( 0.000 0.000 0.000) 0.000 6.794 ( 0.000 0.000 0.000) 0.000 6.828 ( 0.000 0.000 0.000) 0.000 6.921 ( 0.000 0.000 0.000) 0.000 7.009 ( 0.000 0.000 0.000) 0.000 7.228 ( 0.000 0.000 0.000) 0.000 7.288 ( 0.000 0.000 0.000) 0.000 7.868 ( 0.000 0.000 0.000) 0.000 7.898 ( 0.000 0.000 0.000) 0.000 8.126 ( 0.000 0.000 0.000) 0.000 8.658 ( 0.000 0.000 0.000) 0.000 10.285 ( 0.000 0.000 0.000) 0.000 10.344 ( 0.000 0.000 0.000) 0.000 10.488 ( 0.000 0.000 0.000) 0.000 10.920 ( 0.000 0.000 0.000) 0.000 11.380 ( 0.000 0.000 0.000) 0.000 12.075 ( 0.000 0.000 0.000) 0.000 12.140 ( 0.000 0.000 0.000) 0.000 12.720 ( 0.000 0.000 0.000) 0.000 12.935 ( 0.000 0.000 0.000) 0.000 12.970 ( 0.000 0.000 0.000) 0.000 13.058 ( 0.000 0.000 0.000) 0.000 13.440 ( 0.000 0.000 0.000) 0.000 14.095 ( 0.000 0.000 0.000) 0.000 14.376 ( 0.000 0.000 0.000) 0.000 14.678 ( 0.000 0.000 0.000) 0.000 14.715 ( 0.000 0.000 0.000) 0.000 15.280 ( 0.000 0.000 0.000) 0.000 16.357 ( 0.000 0.000 0.000) 0.000 16.917 ( 0.000 0.000 0.000) 0.000 17.762 ( 0.000 0.000 0.000) 0.000 18.038 ( 0.000 0.000 0.000) 0.000 18.167 ( 0.000 0.000 0.000) 0.000 18.583 ( 0.000 0.000 0.000) 0.000 19.009 ( 0.000 0.000 0.000) 0.000 20.292 ( 0.000 0.000 0.000) 0.000 20.392 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 30.016 0.000 0.000) 30.016 0.620 ( 30.264 0.000 0.000) 30.264 1.209 ( 58.531 0.000 0.000) 58.531 1.640 ( 34.476 0.000 0.000) 34.476 2.355 ( 3.339 0.000 0.000) 3.339 2.684 ( -1.053 0.000 0.000) 1.053 2.751 ( -0.653 0.000 0.000) 0.653 2.898 ( -2.366 0.000 0.000) 2.366 2.900 ( -9.585 0.000 0.000) 9.585 3.291 ( -26.376 0.000 0.000) 26.376 3.377 ( 1.723 0.000 0.000) 1.723 3.490 ( -1.560 0.000 0.000) 1.560 3.530 ( 1.110 0.000 0.000) 1.110 3.784 ( 6.764 0.000 0.000) 6.764 4.041 ( 3.605 0.000 0.000) 3.605 4.201 ( -8.075 0.000 0.000) 8.075 4.407 ( 10.575 0.000 0.000) 10.575 4.487 ( -4.287 0.000 0.000) 4.287 4.566 ( 7.514 0.000 0.000) 7.514 4.912 ( 2.012 0.000 0.000) 2.012 5.595 ( -2.020 0.000 0.000) 2.020 5.737 ( 20.022 0.000 0.000) 20.022 5.818 ( 5.902 0.000 0.000) 5.902 6.223 ( -5.512 0.000 0.000) 5.512 6.760 ( -0.655 0.000 0.000) 0.655 6.830 ( -8.272 0.000 0.000) 8.272 6.979 ( 9.840 0.000 0.000) 9.840 7.088 ( 5.335 0.000 0.000) 5.335 7.177 ( -5.081 0.000 0.000) 5.081 7.329 ( 3.178 0.000 0.000) 3.178 7.770 ( -9.261 0.000 0.000) 9.261 7.859 ( -6.980 0.000 0.000) 6.980 8.271 ( 13.545 0.000 0.000) 13.545 10.259 ( -3.120 0.000 0.000) 3.120 10.383 ( 3.899 0.000 0.000) 3.899 10.469 ( -1.313 0.000 0.000) 1.313 10.959 ( 4.087 0.000 0.000) 4.087 11.294 ( -10.365 0.000 0.000) 10.365 11.352 ( -2.757 0.000 0.000) 2.757 12.135 ( -0.411 0.000 0.000) 0.411 12.209 ( 11.345 0.000 0.000) 11.345 12.808 ( -8.125 0.000 0.000) 8.125 12.876 ( -5.994 0.000 0.000) 5.994 12.990 ( 1.818 0.000 0.000) 1.818 13.102 ( 2.323 0.000 0.000) 2.323 13.423 ( -1.748 0.000 0.000) 1.748 14.154 ( 5.962 0.000 0.000) 5.962 14.381 ( 0.612 0.000 0.000) 0.612 14.876 ( 15.935 0.000 0.000) 15.935 15.029 ( -4.010 0.000 0.000) 4.010 15.458 ( 17.158 0.000 0.000) 17.158 16.373 ( 1.596 0.000 0.000) 1.596 16.894 ( -2.752 0.000 0.000) 2.752 17.298 ( -30.149 0.000 0.000) 30.149 18.510 ( -7.390 0.000 0.000) 7.390 18.597 ( 27.181 0.000 0.000) 27.181 18.941 ( -6.859 0.000 0.000) 6.859 20.232 ( 1.129 0.000 0.000) 1.129 20.298 ( 0.579 0.000 0.000) 0.579 20.381 ( -1.130 0.000 0.000) 1.130 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 28.198 0.000 0.000) 28.198 1.182 ( 26.151 0.000 0.000) 26.151 2.182 ( 31.025 0.000 0.000) 31.025 2.211 ( 13.388 0.000 0.000) 13.388 2.415 ( 0.645 0.000 0.000) 0.645 2.680 ( -10.341 0.000 0.000) 10.341 2.707 ( -3.537 0.000 0.000) 3.537 2.781 ( 17.699 0.000 0.000) 17.699 2.834 ( -3.961 0.000 0.000) 3.961 2.852 ( -10.320 0.000 0.000) 10.320 3.421 ( 2.391 0.000 0.000) 2.391 3.463 ( -0.153 0.000 0.000) 0.153 3.483 ( -6.318 0.000 0.000) 6.318 3.992 ( -11.970 0.000 0.000) 11.970 4.005 ( 15.682 0.000 0.000) 15.682 4.163 ( 8.055 0.000 0.000) 8.055 4.391 ( -4.199 0.000 0.000) 4.199 4.674 ( 4.464 0.000 0.000) 4.464 4.700 ( 18.391 0.000 0.000) 18.391 4.999 ( 7.431 0.000 0.000) 7.431 5.573 ( 0.300 0.000 0.000) 0.300 5.972 ( 9.051 0.000 0.000) 9.051 6.120 ( -4.701 0.000 0.000) 4.701 6.181 ( 21.573 0.000 0.000) 21.573 6.620 ( -12.598 0.000 0.000) 12.598 6.745 ( -1.756 0.000 0.000) 1.756 7.038 ( -8.221 0.000 0.000) 8.221 7.094 ( -2.387 0.000 0.000) 2.387 7.218 ( 6.234 0.000 0.000) 6.234 7.382 ( 1.610 0.000 0.000) 1.610 7.585 ( -5.081 0.000 0.000) 5.081 7.676 ( -10.216 0.000 0.000) 10.216 8.605 ( 18.878 0.000 0.000) 18.878 10.144 ( -8.557 0.000 0.000) 8.557 10.462 ( 0.825 0.000 0.000) 0.825 10.493 ( 7.055 0.000 0.000) 7.055 11.069 ( -11.525 0.000 0.000) 11.525 11.090 ( 9.288 0.000 0.000) 9.288 11.274 ( -5.092 0.000 0.000) 5.092 12.129 ( -0.079 0.000 0.000) 0.079 12.433 ( 7.740 0.000 0.000) 7.740 12.664 ( -3.264 0.000 0.000) 3.264 12.699 ( -11.810 0.000 0.000) 11.810 13.030 ( 1.907 0.000 0.000) 1.907 13.126 ( 0.098 0.000 0.000) 0.098 13.372 ( -3.289 0.000 0.000) 3.289 14.329 ( 11.654 0.000 0.000) 11.654 14.403 ( 1.634 0.000 0.000) 1.634 14.922 ( -6.488 0.000 0.000) 6.488 15.322 ( 28.175 0.000 0.000) 28.175 15.925 ( 29.018 0.000 0.000) 29.018 16.419 ( 2.998 0.000 0.000) 2.998 16.618 ( -29.002 0.000 0.000) 29.002 16.899 ( -5.527 0.000 0.000) 5.527 18.287 ( -15.137 0.000 0.000) 15.137 18.734 ( -14.142 0.000 0.000) 14.142 19.109 ( 24.072 0.000 0.000) 24.072 20.261 ( 1.782 0.000 0.000) 1.782 20.313 ( 0.863 0.000 0.000) 0.863 20.343 ( -2.892 0.000 0.000) 2.892 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 20.929 0.000 0.000) 20.929 1.687 ( 20.529 0.000 0.000) 20.529 2.137 ( -6.703 0.000 0.000) 6.703 2.261 ( -13.833 0.000 0.000) 13.833 2.380 ( -1.126 0.000 0.000) 1.126 2.612 ( 1.059 0.000 0.000) 1.059 2.624 ( -3.870 0.000 0.000) 3.870 2.748 ( -4.574 0.000 0.000) 4.574 2.926 ( 7.526 0.000 0.000) 7.526 3.215 ( 9.261 0.000 0.000) 9.261 3.297 ( -11.421 0.000 0.000) 11.421 3.442 ( -1.450 0.000 0.000) 1.450 3.622 ( 17.597 0.000 0.000) 17.597 3.787 ( -6.822 0.000 0.000) 6.822 4.317 ( 6.686 0.000 0.000) 6.686 4.338 ( 13.457 0.000 0.000) 13.457 4.426 ( 12.983 0.000 0.000) 12.983 4.821 ( 13.372 0.000 0.000) 13.372 5.101 ( 20.902 0.000 0.000) 20.902 5.213 ( 13.395 0.000 0.000) 13.395 5.605 ( 2.364 0.000 0.000) 2.364 6.015 ( -7.440 0.000 0.000) 7.440 6.147 ( 7.810 0.000 0.000) 7.810 6.344 ( -14.694 0.000 0.000) 14.694 6.441 ( 0.164 0.000 0.000) 0.164 6.601 ( -15.565 0.000 0.000) 15.565 6.925 ( -7.006 0.000 0.000) 7.006 6.948 ( 3.438 0.000 0.000) 3.438 7.205 ( -9.618 0.000 0.000) 9.618 7.380 ( -1.957 0.000 0.000) 1.957 7.578 ( 2.540 0.000 0.000) 2.540 7.619 ( 4.916 0.000 0.000) 4.916 8.984 ( 18.828 0.000 0.000) 18.828 9.933 ( -12.435 0.000 0.000) 12.435 10.499 ( 2.838 0.000 0.000) 2.838 10.653 ( 8.799 0.000 0.000) 8.799 10.856 ( -9.692 0.000 0.000) 9.692 11.154 ( -6.901 0.000 0.000) 6.901 11.330 ( 14.909 0.000 0.000) 14.909 12.138 ( 1.130 0.000 0.000) 1.130 12.393 ( -6.844 0.000 0.000) 6.844 12.414 ( -16.658 0.000 0.000) 16.658 12.793 ( 11.246 0.000 0.000) 11.246 13.058 ( 0.920 0.000 0.000) 0.920 13.114 ( -0.981 0.000 0.000) 0.981 13.293 ( -4.785 0.000 0.000) 4.785 14.449 ( 3.143 0.000 0.000) 3.143 14.613 ( 16.893 0.000 0.000) 16.893 14.783 ( -7.293 0.000 0.000) 7.293 15.933 ( 22.989 0.000 0.000) 22.989 16.040 ( -18.720 0.000 0.000) 18.720 16.488 ( 3.914 0.000 0.000) 3.914 16.564 ( 34.404 0.000 0.000) 34.404 16.823 ( -3.000 0.000 0.000) 3.000 17.909 ( -22.993 0.000 0.000) 22.993 18.379 ( -21.783 0.000 0.000) 21.783 19.541 ( 19.342 0.000 0.000) 19.342 20.260 ( -5.697 0.000 0.000) 5.697 20.297 ( 1.708 0.000 0.000) 1.708 20.329 ( 0.648 0.000 0.000) 0.648 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 2.812 0.000 0.000) 2.812 1.996 ( -11.217 0.000 0.000) 11.217 2.011 ( 15.646 0.000 0.000) 15.646 2.266 ( -9.836 0.000 0.000) 9.836 2.297 ( 17.429 0.000 0.000) 17.429 2.572 ( -7.695 0.000 0.000) 7.695 2.597 ( 1.375 0.000 0.000) 1.375 2.658 ( -4.223 0.000 0.000) 4.223 3.016 ( 2.397 0.000 0.000) 2.397 3.093 ( -7.296 0.000 0.000) 7.296 3.282 ( 2.251 0.000 0.000) 2.251 3.358 ( -5.313 0.000 0.000) 5.313 3.752 ( 1.833 0.000 0.000) 1.833 3.789 ( -0.023 0.000 0.000) 0.023 4.419 ( 3.655 0.000 0.000) 3.655 4.456 ( 0.523 0.000 0.000) 0.523 4.988 ( 37.391 0.000 0.000) 37.391 5.199 ( 20.347 0.000 0.000) 20.347 5.422 ( 2.287 0.000 0.000) 2.287 5.465 ( 13.562 0.000 0.000) 13.562 5.626 ( -1.794 0.000 0.000) 1.794 5.689 ( -27.771 0.000 0.000) 27.771 6.114 ( -4.158 0.000 0.000) 4.158 6.252 ( 2.580 0.000 0.000) 2.580 6.253 ( -13.473 0.000 0.000) 13.473 6.314 ( -7.397 0.000 0.000) 7.397 6.878 ( 1.009 0.000 0.000) 1.009 6.979 ( -9.661 0.000 0.000) 9.661 7.127 ( 10.480 0.000 0.000) 10.480 7.298 ( -6.424 0.000 0.000) 6.424 7.664 ( 3.726 0.000 0.000) 3.726 7.689 ( 1.366 0.000 0.000) 1.366 9.341 ( 17.106 0.000 0.000) 17.106 9.659 ( -15.021 0.000 0.000) 15.021 10.573 ( 4.734 0.000 0.000) 4.734 10.690 ( -7.076 0.000 0.000) 7.076 10.831 ( 9.013 0.000 0.000) 9.013 11.003 ( -8.239 0.000 0.000) 8.239 11.669 ( 18.813 0.000 0.000) 18.813 12.053 ( -19.360 0.000 0.000) 19.360 12.179 ( 3.140 0.000 0.000) 3.140 12.265 ( -5.559 0.000 0.000) 5.559 13.002 ( 8.967 0.000 0.000) 8.967 13.069 ( 0.220 0.000 0.000) 0.220 13.097 ( -0.249 0.000 0.000) 0.249 13.180 ( -6.605 0.000 0.000) 6.605 14.529 ( 4.934 0.000 0.000) 4.934 14.644 ( -6.554 0.000 0.000) 6.554 14.996 ( 21.694 0.000 0.000) 21.694 15.469 ( -25.959 0.000 0.000) 25.959 16.531 ( 15.509 0.000 0.000) 15.509 16.565 ( 3.431 0.000 0.000) 3.431 16.859 ( 14.863 0.000 0.000) 14.863 17.248 ( 33.798 0.000 0.000) 33.798 17.386 ( -29.201 0.000 0.000) 29.201 17.875 ( -28.897 0.000 0.000) 28.897 19.874 ( 14.310 0.000 0.000) 14.310 20.110 ( -9.598 0.000 0.000) 9.598 20.325 ( 1.006 0.000 0.000) 1.006 20.336 ( -0.068 0.000 0.000) 0.068 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 0.000 29.518 0.000) 29.518 0.645 ( 0.000 30.182 0.000) 30.182 1.217 ( 0.000 55.521 0.000) 55.521 2.319 ( 0.000 -1.222 0.000) 1.222 2.448 ( 0.000 -9.471 0.000) 9.471 2.537 ( 0.000 -13.508 0.000) 13.508 2.745 ( 0.000 -11.053 0.000) 11.053 2.904 ( 0.000 -0.812 0.000) 0.812 3.089 ( 0.000 6.933 0.000) 6.933 3.168 ( 0.000 -10.890 0.000) 10.890 3.577 ( 0.000 6.721 0.000) 6.721 3.595 ( 0.000 3.184 0.000) 3.184 3.689 ( 0.000 3.135 0.000) 3.135 4.074 ( 0.000 -1.194 0.000) 1.194 4.130 ( 0.000 14.562 0.000) 14.562 4.258 ( 0.000 -3.486 0.000) 3.486 4.324 ( 0.000 -7.673 0.000) 7.673 4.369 ( 0.000 14.227 0.000) 14.227 4.576 ( 0.000 5.853 0.000) 5.853 4.972 ( 0.000 7.184 0.000) 7.184 5.508 ( 0.000 -8.548 0.000) 8.548 5.538 ( 0.000 -7.757 0.000) 7.757 6.083 ( 0.000 -17.139 0.000) 17.139 6.563 ( 0.000 2.138 0.000) 2.138 6.633 ( 0.000 -13.407 0.000) 13.407 6.859 ( 0.000 5.752 0.000) 5.752 6.949 ( 0.000 -5.141 0.000) 5.141 7.098 ( 0.000 8.802 0.000) 8.802 7.334 ( 0.000 4.079 0.000) 4.079 7.383 ( 0.000 4.316 0.000) 4.316 7.809 ( 0.000 -5.126 0.000) 5.126 7.865 ( 0.000 -3.034 0.000) 3.034 8.158 ( 0.000 3.010 0.000) 3.010 8.617 ( 0.000 -3.675 0.000) 3.675 10.287 ( 0.000 0.220 0.000) 0.220 10.459 ( 0.000 -2.560 0.000) 2.560 10.481 ( 0.000 12.474 0.000) 12.474 11.457 ( 0.000 7.123 0.000) 7.123 11.985 ( 0.000 -8.829 0.000) 8.829 12.141 ( 0.000 -0.287 0.000) 0.287 12.707 ( 0.000 -1.092 0.000) 1.092 12.907 ( 0.000 -3.690 0.000) 3.690 12.919 ( 0.000 -9.531 0.000) 9.531 12.940 ( 0.000 -2.787 0.000) 2.787 13.443 ( 0.000 3.304 0.000) 3.304 13.797 ( 0.000 12.530 0.000) 12.530 14.296 ( 0.000 16.919 0.000) 16.919 14.317 ( 0.000 -5.523 0.000) 5.523 14.625 ( 0.000 -4.197 0.000) 4.197 14.765 ( 0.000 3.760 0.000) 3.760 15.242 ( 0.000 -3.541 0.000) 3.541 16.208 ( 0.000 -13.804 0.000) 13.804 17.764 ( 0.000 1.944 0.000) 1.944 18.016 ( 0.000 -1.925 0.000) 1.925 18.213 ( 0.000 4.088 0.000) 4.088 18.587 ( 0.000 0.694 0.000) 0.694 18.668 ( 0.000 -2.741 0.000) 2.741 18.961 ( 0.000 -4.285 0.000) 4.285 20.338 ( 0.000 3.879 0.000) 3.879 20.418 ( 0.000 2.186 0.000) 2.186 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.11 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 18.834 20.067 0.000) 27.521 0.907 ( 19.567 21.414 0.000) 29.007 1.674 ( 39.096 37.822 0.000) 54.397 2.283 ( -2.324 5.206 0.000) 5.701 2.353 ( 3.124 -1.469 0.000) 3.452 2.544 ( -2.152 -12.582 0.000) 12.765 2.802 ( 6.030 0.813 0.000) 6.085 2.854 ( -5.323 -1.146 0.000) 5.445 2.973 ( -7.978 2.333 0.000) 8.312 3.212 ( 1.315 -6.508 0.000) 6.640 3.440 ( -14.137 9.229 0.000) 16.883 3.518 ( -19.044 9.907 0.000) 21.467 3.642 ( 4.077 3.837 0.000) 5.599 3.879 ( -1.038 5.816 0.000) 5.908 4.018 ( -5.736 -5.085 0.000) 7.666 4.337 ( 1.841 6.797 0.000) 7.042 4.386 ( 8.220 7.332 0.000) 11.015 4.449 ( -5.017 2.193 0.000) 5.475 4.604 ( 12.437 1.740 0.000) 12.558 5.001 ( 3.209 8.078 0.000) 8.692 5.490 ( -0.762 -7.457 0.000) 7.496 5.684 ( 9.441 -10.757 0.000) 14.313 6.055 ( -2.353 -14.499 0.000) 14.689 6.179 ( -6.602 23.091 0.000) 24.016 6.567 ( -4.398 -11.692 0.000) 12.492 6.988 ( 9.367 2.086 0.000) 9.597 7.015 ( 5.670 -6.057 0.000) 8.297 7.021 ( -6.694 8.881 0.000) 11.121 7.250 ( -6.572 6.292 0.000) 9.098 7.371 ( 2.764 3.374 0.000) 4.361 7.710 ( -9.453 -5.204 0.000) 10.791 7.825 ( -6.424 -3.182 0.000) 7.168 8.313 ( 14.491 4.005 0.000) 15.034 9.580 ( 49.986 -44.707 0.000) 67.062 10.264 ( -2.776 0.464 0.000) 2.815 10.442 ( -1.129 -2.340 0.000) 2.598 10.517 ( 3.587 12.155 0.000) 12.673 11.432 ( -2.527 7.338 0.000) 7.761 11.876 ( -11.986 -3.083 0.000) 12.376 12.135 ( -0.553 -0.350 0.000) 0.655 12.541 ( -8.975 7.645 0.000) 11.790 12.848 ( -5.286 -3.233 0.000) 6.197 12.964 ( 1.568 -3.010 0.000) 3.394 12.982 ( 3.016 -9.599 0.000) 10.061 13.240 ( -26.158 35.986 0.000) 44.488 13.420 ( -2.209 2.863 0.000) 3.616 14.290 ( 0.139 0.062 0.000) 0.153 14.379 ( 5.603 10.722 0.000) 12.097 14.791 ( 4.076 -14.260 0.000) 14.831 14.918 ( 15.432 3.603 0.000) 15.847 15.417 ( 16.989 -3.696 0.000) 17.386 16.226 ( 1.884 -13.541 0.000) 13.671 17.179 ( -27.405 13.972 0.000) 30.761 17.338 ( -29.307 3.877 0.000) 29.563 18.515 ( -7.321 0.759 0.000) 7.360 18.641 ( 27.486 4.112 0.000) 27.792 18.894 ( -6.841 -4.275 0.000) 8.067 19.662 ( 35.914 -30.298 0.000) 46.987 20.343 ( 0.398 3.726 0.000) 3.747 20.408 ( -1.040 2.267 0.000) 2.494 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 20.317 8.744 0.000) 22.118 1.333 ( 22.724 11.496 0.000) 25.467 2.203 ( 5.164 2.433 0.000) 5.709 2.420 ( 2.368 -1.189 0.000) 2.650 2.420 ( -3.245 -1.033 0.000) 3.406 2.631 ( 21.691 1.556 0.000) 21.747 2.686 ( -9.975 0.558 0.000) 9.990 2.838 ( -5.613 -0.238 0.000) 5.619 3.009 ( -7.427 27.546 0.000) 28.530 3.017 ( 12.495 6.345 0.000) 14.014 3.188 ( -4.130 -8.042 0.000) 9.041 3.393 ( -1.379 -3.529 0.000) 3.789 3.720 ( 2.993 8.481 0.000) 8.993 3.851 ( -10.319 -8.896 0.000) 13.625 4.026 ( 13.673 -0.670 0.000) 13.690 4.318 ( -4.263 3.714 0.000) 5.654 4.375 ( 4.008 16.671 0.000) 17.146 4.667 ( 17.669 -1.878 0.000) 17.768 4.832 ( 8.814 7.059 0.000) 11.292 5.113 ( 8.381 9.688 0.000) 12.809 5.484 ( 0.541 -8.093 0.000) 8.111 5.844 ( 8.516 -11.543 0.000) 14.345 6.009 ( -2.024 -9.959 0.000) 10.163 6.339 ( 14.294 12.611 0.000) 19.062 6.471 ( -5.980 -10.133 0.000) 11.766 6.859 ( -9.427 6.074 0.000) 11.214 7.096 ( -3.132 0.323 0.000) 3.149 7.099 ( -7.820 5.183 0.000) 9.381 7.155 ( 6.560 -5.174 0.000) 8.355 7.402 ( -1.015 1.185 0.000) 1.560 7.531 ( -2.948 -4.195 0.000) 5.128 7.647 ( -10.267 -2.791 0.000) 10.640 8.669 ( 19.990 6.077 0.000) 20.893 10.162 ( -7.531 1.692 0.000) 7.718 10.263 ( 22.174 -35.385 0.000) 41.759 10.436 ( 0.624 -2.370 0.000) 2.451 10.620 ( 6.729 11.167 0.000) 13.038 11.359 ( -4.729 7.884 0.000) 9.193 11.600 ( -11.868 9.576 0.000) 15.249 12.120 ( -0.877 -0.955 0.000) 1.297 12.464 ( -1.394 1.197 0.000) 1.838 12.697 ( -9.966 -1.026 0.000) 10.019 12.920 ( -6.577 17.786 0.000) 18.963 12.990 ( 0.782 -4.524 0.000) 4.591 13.035 ( 0.593 -2.311 0.000) 2.385 13.363 ( -3.335 2.203 0.000) 3.997 14.304 ( 1.239 -5.897 0.000) 6.026 14.538 ( 10.488 14.841 0.000) 18.173 14.765 ( -4.799 -13.214 0.000) 14.059 15.363 ( 28.203 3.729 0.000) 28.448 15.881 ( 28.755 -4.032 0.000) 29.036 16.281 ( 3.608 -12.727 0.000) 13.228 16.664 ( -29.078 4.066 0.000) 29.361 16.934 ( -10.826 2.175 0.000) 11.042 18.294 ( -15.034 0.930 0.000) 15.062 18.687 ( -14.120 -4.255 0.000) 14.747 19.159 ( 24.232 4.606 0.000) 24.666 20.077 ( 11.614 -14.478 0.000) 18.561 20.351 ( 0.249 3.163 0.000) 3.173 20.373 ( -2.461 2.614 0.000) 3.590 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 16.687 0.675 0.000) 16.701 1.770 ( 19.968 5.514 0.000) 20.716 2.133 ( -6.156 -2.211 0.000) 6.541 2.328 ( -11.261 5.021 0.000) 12.329 2.330 ( -4.880 -4.716 0.000) 6.786 2.609 ( 2.095 -1.762 0.000) 2.737 2.639 ( -5.114 5.350 0.000) 7.401 2.733 ( -5.313 -1.728 0.000) 5.587 3.040 ( 0.538 6.350 0.000) 6.373 3.045 ( -9.547 -10.214 0.000) 13.981 3.296 ( 2.927 -2.090 0.000) 3.597 3.616 ( 19.394 9.522 0.000) 21.606 3.633 ( -10.089 -9.568 0.000) 13.904 3.768 ( 1.215 15.195 0.000) 15.243 4.360 ( 18.826 2.364 0.000) 18.974 4.427 ( 18.067 6.639 0.000) 19.249 4.483 ( 6.027 14.818 0.000) 15.997 4.994 ( 9.654 9.028 0.000) 13.218 5.040 ( 18.683 -5.069 0.000) 19.358 5.336 ( 13.613 10.214 0.000) 17.019 5.520 ( 2.889 -7.834 0.000) 8.350 5.962 ( -3.827 -5.103 0.000) 6.379 6.031 ( 9.441 -10.928 0.000) 14.441 6.313 ( -9.553 -3.315 0.000) 10.112 6.495 ( -2.830 5.304 0.000) 6.012 6.598 ( -19.538 0.031 0.000) 19.538 6.884 ( -10.403 -4.135 0.000) 11.195 7.012 ( 1.691 5.433 0.000) 5.690 7.161 ( -8.190 -3.987 0.000) 9.109 7.378 ( -1.609 -0.011 0.000) 1.609 7.540 ( 2.144 -3.400 0.000) 4.020 7.592 ( 5.015 -2.232 0.000) 5.489 9.064 ( 19.348 7.596 0.000) 20.786 9.975 ( -11.108 3.890 0.000) 11.770 10.464 ( 2.102 -3.266 0.000) 3.884 10.536 ( 6.375 -21.016 0.000) 21.961 10.775 ( 8.487 9.826 0.000) 12.984 11.248 ( -6.488 8.575 0.000) 10.753 11.499 ( 2.628 7.957 0.000) 8.380 12.094 ( -2.348 -3.321 0.000) 4.068 12.403 ( -4.709 0.369 0.000) 4.724 12.466 ( -12.333 3.182 0.000) 12.737 12.894 ( 2.400 4.654 0.000) 5.236 12.990 ( -0.652 -7.028 0.000) 7.059 13.053 ( 1.535 -0.028 0.000) 1.535 13.293 ( -3.794 2.602 0.000) 4.601 14.341 ( 2.624 -8.568 0.000) 8.961 14.644 ( -6.764 -12.503 0.000) 14.216 14.794 ( 15.293 14.520 0.000) 21.088 15.976 ( 25.832 3.916 0.000) 26.128 16.107 ( -19.472 6.047 0.000) 20.389 16.367 ( 4.941 -11.284 0.000) 12.319 16.515 ( 33.352 -4.381 0.000) 33.638 16.779 ( -5.357 -4.076 0.000) 6.731 17.917 ( -22.952 1.122 0.000) 22.979 18.332 ( -21.758 -4.236 0.000) 22.166 19.590 ( 19.218 4.582 0.000) 19.757 20.234 ( 5.423 -5.596 0.000) 7.793 20.292 ( -5.388 2.855 0.000) 6.098 20.360 ( 0.007 2.514 0.000) 2.514 ======================= Grid point 13 (10/100) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 12.226 -5.032 0.000) 13.220 1.980 ( 2.933 8.715 0.000) 9.195 2.108 ( -9.097 8.599 0.000) 12.518 2.130 ( -3.986 -7.953 0.000) 8.895 2.303 ( 11.202 -1.860 0.000) 11.355 2.572 ( -10.404 -1.894 0.000) 10.575 2.601 ( 0.839 2.552 0.000) 2.686 2.644 ( -2.529 -0.420 0.000) 2.564 2.911 ( -0.700 -9.845 0.000) 9.870 2.979 ( -5.028 -3.865 0.000) 6.342 3.349 ( 3.660 -5.890 0.000) 6.935 3.457 ( -7.325 -7.653 0.000) 10.594 3.789 ( 1.795 12.407 0.000) 12.537 3.789 ( 0.882 15.618 0.000) 15.643 4.583 ( 3.491 13.727 0.000) 14.163 4.593 ( 3.726 11.450 0.000) 12.041 5.038 ( 37.119 5.514 0.000) 37.526 5.256 ( 13.942 0.841 0.000) 13.967 5.329 ( 7.911 -8.617 0.000) 11.698 5.555 ( 0.726 7.174 0.000) 7.211 5.583 ( 3.600 -2.645 0.000) 4.467 5.750 ( -18.698 6.091 0.000) 19.666 6.134 ( -6.138 0.495 0.000) 6.158 6.173 ( 3.232 -6.911 0.000) 7.630 6.254 ( -6.209 -4.738 0.000) 7.810 6.288 ( -12.754 2.482 0.000) 12.993 6.784 ( -0.104 -8.749 0.000) 8.750 6.896 ( -10.912 -6.376 0.000) 12.638 7.177 ( 8.073 3.758 0.000) 8.905 7.313 ( -5.173 1.553 0.000) 5.401 7.627 ( 4.018 -3.335 0.000) 5.221 7.658 ( 1.069 -2.797 0.000) 2.994 9.423 ( 16.729 7.631 0.000) 18.387 9.726 ( -13.937 6.173 0.000) 15.243 10.515 ( 2.900 -5.420 0.000) 6.147 10.567 ( -1.710 -10.469 0.000) 10.608 10.943 ( 8.447 9.839 0.000) 12.967 11.105 ( -7.778 9.278 0.000) 12.107 11.681 ( 13.907 0.573 0.000) 13.918 11.964 ( -12.131 -4.990 0.000) 13.117 12.293 ( -3.070 6.458 0.000) 7.151 12.313 ( -3.635 3.364 0.000) 4.953 12.943 ( 1.787 -7.991 0.000) 8.188 12.970 ( -1.197 -9.171 0.000) 9.249 13.114 ( 4.526 5.511 0.000) 7.131 13.209 ( -4.654 4.298 0.000) 6.335 14.410 ( 4.356 -10.382 0.000) 11.259 14.514 ( -6.062 -11.713 0.000) 13.188 15.142 ( 19.797 12.433 0.000) 23.377 15.576 ( -23.901 9.414 0.000) 25.688 16.471 ( 5.389 -8.923 0.000) 10.425 16.531 ( 6.259 -1.424 0.000) 6.419 16.803 ( 22.297 -3.487 0.000) 22.568 17.204 ( 33.556 -4.049 0.000) 33.799 17.392 ( -29.721 1.044 0.000) 29.739 17.829 ( -28.844 -4.201 0.000) 29.148 19.919 ( 14.014 4.110 0.000) 14.604 20.149 ( -9.265 3.463 0.000) 9.891 20.313 ( 2.798 -1.261 0.000) 3.069 20.351 ( -1.075 1.105 0.000) 1.542 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 0.000 27.026 0.000) 27.026 1.258 ( 0.000 27.806 0.000) 27.806 2.120 ( 0.000 -0.370 0.000) 0.370 2.185 ( 0.000 -12.810 0.000) 12.810 2.263 ( 0.000 -6.260 0.000) 6.260 2.333 ( 0.000 11.441 0.000) 11.441 2.520 ( 0.000 4.479 0.000) 4.479 2.901 ( 0.000 0.563 0.000) 0.563 2.996 ( 0.000 -5.086 0.000) 5.086 3.274 ( 0.000 10.240 0.000) 10.240 3.618 ( 0.000 -1.495 0.000) 1.495 3.633 ( 0.000 -10.992 0.000) 10.992 3.754 ( 0.000 9.323 0.000) 9.323 3.976 ( 0.000 -3.873 0.000) 3.873 4.140 ( 0.000 -9.224 0.000) 9.224 4.150 ( 0.000 -6.553 0.000) 6.553 4.481 ( 0.000 18.000 0.000) 18.000 4.755 ( 0.000 11.343 0.000) 11.343 4.824 ( 0.000 23.778 0.000) 23.778 5.216 ( 0.000 17.369 0.000) 17.369 5.245 ( 0.000 -15.958 0.000) 15.958 5.318 ( 0.000 -12.593 0.000) 12.593 5.676 ( 0.000 -20.158 0.000) 20.158 6.255 ( 0.000 -22.594 0.000) 22.594 6.622 ( 0.000 3.420 0.000) 3.420 6.823 ( 0.000 -6.150 0.000) 6.150 7.011 ( 0.000 7.999 0.000) 7.999 7.214 ( 0.000 1.591 0.000) 1.591 7.441 ( 0.000 5.646 0.000) 5.646 7.502 ( 0.000 6.626 0.000) 6.626 7.681 ( 0.000 -6.328 0.000) 6.328 7.775 ( 0.000 -5.380 0.000) 5.380 8.248 ( 0.000 5.453 0.000) 5.453 8.513 ( 0.000 -5.977 0.000) 5.977 10.299 ( 0.000 1.017 0.000) 1.017 10.394 ( 0.000 -3.250 0.000) 3.250 10.831 ( 0.000 19.909 0.000) 19.909 11.662 ( 0.000 11.745 0.000) 11.745 11.702 ( 0.000 -17.671 0.000) 17.671 12.096 ( 0.000 -4.965 0.000) 4.965 12.684 ( 0.000 -0.778 0.000) 0.778 12.754 ( 0.000 -5.435 0.000) 5.435 12.805 ( 0.000 -3.964 0.000) 3.964 12.863 ( 0.000 -4.159 0.000) 4.159 13.618 ( 0.000 12.097 0.000) 12.097 14.071 ( 0.000 12.737 0.000) 12.737 14.148 ( 0.000 -10.322 0.000) 10.322 14.504 ( 0.000 -7.351 0.000) 7.351 14.736 ( 0.000 23.966 0.000) 23.966 14.867 ( 0.000 5.845 0.000) 5.845 15.139 ( 0.000 -5.991 0.000) 5.991 15.807 ( 0.000 -23.310 0.000) 23.310 17.820 ( 0.000 3.216 0.000) 3.216 17.963 ( 0.000 -3.027 0.000) 3.027 18.325 ( 0.000 6.224 0.000) 6.224 18.584 ( 0.000 -5.068 0.000) 5.068 18.625 ( 0.000 3.171 0.000) 3.171 18.846 ( 0.000 -6.186 0.000) 6.186 20.426 ( 0.000 3.750 0.000) 3.750 20.465 ( 0.000 1.794 0.000) 1.794 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 8.384 24.164 0.000) 25.577 1.386 ( 11.353 23.035 0.000) 25.681 2.181 ( 4.208 -12.197 0.000) 12.902 2.215 ( 2.775 -12.726 0.000) 13.025 2.239 ( -2.483 -3.435 0.000) 4.238 2.437 ( 11.322 6.610 0.000) 13.110 2.730 ( 20.627 14.859 0.000) 25.422 2.849 ( -5.038 0.583 0.000) 5.072 2.933 ( -5.757 -3.506 0.000) 6.741 3.254 ( -2.415 8.050 0.000) 8.404 3.585 ( -7.920 1.800 0.000) 8.122 3.641 ( 1.026 -5.083 0.000) 5.186 3.698 ( -1.722 3.780 0.000) 4.154 3.928 ( -13.683 -1.705 0.000) 13.789 3.935 ( -2.642 0.798 0.000) 2.760 4.236 ( 8.251 -7.604 0.000) 11.221 4.610 ( 5.519 12.017 0.000) 13.224 4.719 ( 1.532 10.716 0.000) 10.825 4.854 ( 2.971 24.700 0.000) 24.878 5.252 ( 3.763 16.677 0.000) 17.096 5.278 ( -1.217 -12.591 0.000) 12.650 5.368 ( 6.876 -18.169 0.000) 19.427 5.693 ( 1.731 -18.432 0.000) 18.514 6.231 ( -1.969 -20.729 0.000) 20.822 6.530 ( -2.231 11.511 0.000) 11.725 6.871 ( 5.119 -7.056 0.000) 8.717 7.064 ( 3.553 4.995 0.000) 6.130 7.167 ( -4.506 4.005 0.000) 6.029 7.410 ( -6.971 8.268 0.000) 10.815 7.439 ( 0.179 2.713 0.000) 2.719 7.586 ( -9.076 -5.620 0.000) 10.676 7.728 ( -5.887 -5.958 0.000) 8.376 8.440 ( 17.663 8.105 0.000) 19.434 8.970 ( 35.389 -19.161 0.000) 40.243 10.282 ( -1.961 1.331 0.000) 2.370 10.382 ( -0.910 -3.111 0.000) 3.241 10.858 ( 2.628 19.281 0.000) 19.459 11.643 ( -1.962 12.068 0.000) 12.227 11.667 ( -3.382 -15.060 0.000) 15.435 12.089 ( -0.784 -5.098 0.000) 5.158 12.601 ( -5.891 1.551 0.000) 6.092 12.764 ( -3.800 -3.013 0.000) 4.850 12.780 ( 0.774 -8.260 0.000) 8.297 12.866 ( -0.097 -5.445 0.000) 5.446 13.592 ( -2.494 12.257 0.000) 12.508 13.844 ( -17.764 22.028 0.000) 28.298 14.136 ( -1.085 -10.577 0.000) 10.633 14.515 ( -1.265 -12.700 0.000) 12.763 14.789 ( 5.233 23.314 0.000) 23.894 15.024 ( 15.851 6.172 0.000) 17.010 15.310 ( 16.657 -6.250 0.000) 17.791 15.834 ( 2.699 -22.810 0.000) 22.970 17.346 ( -30.953 4.581 0.000) 31.290 17.423 ( -29.760 2.279 0.000) 29.847 18.555 ( -7.146 3.265 0.000) 7.857 18.763 ( 28.593 7.386 0.000) 29.531 18.779 ( -6.854 -6.212 0.000) 9.250 19.206 ( 35.607 -15.308 0.000) 38.758 20.426 ( -0.004 3.549 0.000) 3.549 20.457 ( -0.780 1.944 0.000) 2.094 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 10.413 16.653 0.000) 19.640 1.612 ( 12.189 14.214 0.000) 18.725 2.146 ( -5.750 -8.143 0.000) 9.968 2.248 ( 1.900 -4.557 0.000) 4.937 2.279 ( 3.308 -12.771 0.000) 13.192 2.642 ( 5.478 -10.989 0.000) 12.279 2.710 ( -8.485 1.733 0.000) 8.660 2.803 ( -6.633 -2.430 0.000) 7.064 3.163 ( -6.982 4.749 0.000) 8.444 3.237 ( 16.708 15.790 0.000) 22.989 3.374 ( -12.858 5.673 0.000) 14.053 3.571 ( -8.379 -12.271 0.000) 14.859 3.573 ( 6.425 18.266 0.000) 19.363 3.966 ( 6.240 11.377 0.000) 12.976 4.023 ( 19.462 1.085 0.000) 19.492 4.456 ( 13.208 -8.262 0.000) 15.579 4.551 ( -3.032 15.234 0.000) 15.533 4.925 ( 11.108 3.965 0.000) 11.794 4.937 ( 5.290 24.269 0.000) 24.839 5.251 ( -0.289 -13.566 0.000) 13.569 5.373 ( 8.576 15.159 0.000) 17.417 5.512 ( 8.069 -18.877 0.000) 20.529 5.740 ( 2.890 -14.731 0.000) 15.012 6.193 ( -1.612 -17.034 0.000) 17.110 6.615 ( 7.746 12.315 0.000) 14.549 6.961 ( -12.599 3.886 0.000) 13.185 7.010 ( 7.376 -7.475 0.000) 10.501 7.096 ( -9.459 -1.198 0.000) 9.535 7.251 ( -8.407 7.947 0.000) 11.569 7.402 ( -3.951 -0.325 0.000) 3.964 7.468 ( 2.139 -1.549 0.000) 2.641 7.558 ( -9.977 -5.551 0.000) 11.417 8.861 ( 22.924 12.226 0.000) 25.981 9.631 ( 28.729 -25.133 0.000) 38.171 10.213 ( -5.015 3.100 0.000) 5.896 10.369 ( -0.285 -3.720 0.000) 3.731 10.934 ( 5.070 17.584 0.000) 18.301 11.585 ( -3.855 12.870 0.000) 13.435 11.585 ( -4.008 -8.413 0.000) 9.319 12.062 ( -2.064 -5.693 0.000) 6.055 12.493 ( -4.706 2.232 0.000) 5.208 12.660 ( -6.672 -1.022 0.000) 6.750 12.772 ( -1.457 -11.127 0.000) 11.221 12.847 ( -1.942 -7.815 0.000) 8.052 13.525 ( -12.429 26.515 0.000) 29.283 13.529 ( -3.567 12.530 0.000) 13.028 14.114 ( -1.008 -11.755 0.000) 11.798 14.433 ( -6.258 -17.598 0.000) 18.677 14.937 ( 9.615 21.882 0.000) 23.902 15.471 ( 28.200 6.315 0.000) 28.898 15.766 ( 28.380 -6.566 0.000) 29.130 15.913 ( 5.248 -21.345 0.000) 21.981 16.771 ( -27.255 5.633 0.000) 27.831 16.947 ( -18.447 -1.286 0.000) 18.491 18.339 ( -14.726 3.534 0.000) 15.145 18.572 ( -14.158 -6.295 0.000) 15.494 19.296 ( 24.485 8.296 0.000) 25.852 19.765 ( 21.174 -13.990 0.000) 25.379 20.421 ( -1.003 2.898 0.000) 3.066 20.432 ( -1.519 2.430 0.000) 2.866 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 8.749 9.129 0.000) 12.645 1.876 ( 13.818 4.327 0.000) 14.479 2.057 ( -2.370 -3.180 0.000) 3.966 2.250 ( -1.325 -1.191 0.000) 1.781 2.324 ( 0.059 -10.246 0.000) 10.246 2.557 ( -5.118 1.188 0.000) 5.254 2.665 ( -1.580 -9.229 0.000) 9.363 2.677 ( -6.487 -2.932 0.000) 7.119 2.984 ( -10.329 3.604 0.000) 10.940 3.084 ( -13.305 1.845 0.000) 13.432 3.213 ( -5.796 -0.445 0.000) 5.813 3.377 ( -9.753 -12.367 0.000) 15.750 4.079 ( 21.736 27.637 0.000) 35.161 4.116 ( 7.352 16.920 0.000) 18.449 4.529 ( 30.528 10.418 0.000) 32.257 4.622 ( 12.857 11.124 0.000) 17.001 4.717 ( 11.917 -3.891 0.000) 12.536 5.054 ( 6.011 15.570 0.000) 16.690 5.072 ( 3.791 -2.233 0.000) 4.400 5.306 ( 6.413 -10.311 0.000) 12.142 5.585 ( 11.671 11.964 0.000) 16.714 5.704 ( 11.136 -19.100 0.000) 22.110 5.801 ( 3.394 -9.503 0.000) 10.090 6.181 ( 0.906 -9.810 0.000) 9.852 6.611 ( -24.056 1.261 0.000) 24.089 6.657 ( -7.066 9.404 0.000) 11.763 6.761 ( -18.359 -6.450 0.000) 19.459 7.032 ( -9.228 -6.844 0.000) 11.489 7.163 ( 2.591 7.150 0.000) 7.605 7.396 ( 0.180 2.053 0.000) 2.061 7.445 ( 1.488 -5.425 0.000) 5.625 7.535 ( 3.657 -3.155 0.000) 4.830 9.296 ( 20.203 14.204 0.000) 24.697 10.077 ( 16.255 -21.572 0.000) 27.011 10.086 ( -7.724 6.410 0.000) 10.038 10.367 ( -0.118 -5.769 0.000) 5.770 11.057 ( 7.226 15.610 0.000) 17.201 11.491 ( -5.631 13.742 0.000) 14.851 11.551 ( 1.519 -3.244 0.000) 3.582 11.997 ( -4.906 -6.833 0.000) 8.412 12.415 ( -3.162 1.723 0.000) 3.601 12.513 ( -7.523 2.049 0.000) 7.797 12.734 ( -2.019 -12.079 0.000) 12.246 12.793 ( -3.296 -10.316 0.000) 10.830 13.371 ( -3.538 22.021 0.000) 22.303 13.460 ( -3.325 12.735 0.000) 13.162 14.103 ( 0.079 -13.893 0.000) 13.893 14.298 ( -6.701 -19.476 0.000) 20.596 15.165 ( 13.352 19.945 0.000) 24.002 16.039 ( 7.450 -18.986 0.000) 20.395 16.087 ( 29.021 6.388 0.000) 29.716 16.270 ( -15.148 8.512 0.000) 17.376 16.397 ( 28.510 -6.143 0.000) 29.165 16.657 ( -10.324 -7.362 0.000) 12.680 17.969 ( -22.611 3.943 0.000) 22.952 18.215 ( -21.816 -6.433 0.000) 22.745 19.723 ( 18.509 7.691 0.000) 20.044 20.083 ( 11.909 -8.302 0.000) 14.517 20.362 ( -4.528 3.349 0.000) 5.632 20.410 ( -1.465 1.627 0.000) 2.189 ======================= Grid point 22 (15/100) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 7.098 3.227 0.000) 7.798 2.006 ( -3.233 -0.865 0.000) 3.347 2.121 ( 7.554 2.045 0.000) 7.826 2.251 ( -6.156 1.038 0.000) 6.243 2.286 ( 8.500 0.902 0.000) 8.548 2.509 ( -10.464 -3.055 0.000) 10.901 2.554 ( 2.691 -8.044 0.000) 8.482 2.618 ( -2.840 -7.864 0.000) 8.361 2.824 ( -3.704 3.896 0.000) 5.375 2.868 ( -7.591 0.368 0.000) 7.600 3.154 ( 0.160 -7.588 0.000) 7.590 3.217 ( -5.959 -11.391 0.000) 12.855 4.227 ( 3.606 22.040 0.000) 22.333 4.253 ( 1.366 25.674 0.000) 25.710 4.894 ( 5.486 7.355 0.000) 9.176 4.897 ( 7.500 16.435 0.000) 18.066 5.114 ( 4.815 -11.281 0.000) 12.265 5.142 ( 1.847 -1.391 0.000) 2.312 5.233 ( 33.660 10.804 0.000) 35.351 5.510 ( 14.479 -6.284 0.000) 15.784 5.660 ( -7.067 -0.436 0.000) 7.081 5.930 ( -4.280 9.650 0.000) 10.556 5.936 ( 11.901 -15.592 0.000) 19.615 6.074 ( -14.947 -2.848 0.000) 15.216 6.193 ( -2.943 -1.799 0.000) 3.449 6.388 ( -17.050 7.358 0.000) 18.570 6.531 ( 0.386 -14.378 0.000) 14.383 6.746 ( -16.038 -7.711 0.000) 17.795 7.276 ( 6.245 5.663 0.000) 8.430 7.370 ( -3.021 3.912 0.000) 4.942 7.532 ( 4.473 -5.451 0.000) 7.051 7.578 ( 0.115 -4.698 0.000) 4.699 9.648 ( 15.211 13.288 0.000) 20.198 9.904 ( -10.873 10.226 0.000) 14.926 10.290 ( 6.091 -15.059 0.000) 16.244 10.356 ( -1.359 -9.396 0.000) 9.494 11.211 ( 8.000 14.543 0.000) 16.599 11.363 ( -7.174 14.264 0.000) 15.967 11.659 ( 8.855 -3.629 0.000) 9.570 11.854 ( -9.415 -6.464 0.000) 11.420 12.372 ( -0.919 2.768 0.000) 2.917 12.395 ( -3.643 3.863 0.000) 5.310 12.710 ( -0.123 -12.498 0.000) 12.499 12.733 ( -2.360 -12.088 0.000) 12.316 13.356 ( 1.237 16.636 0.000) 16.682 13.399 ( -2.775 13.676 0.000) 13.955 14.122 ( 1.966 -16.471 0.000) 16.588 14.185 ( -4.501 -18.723 0.000) 19.256 15.464 ( 16.716 17.250 0.000) 24.021 15.826 ( -19.847 13.602 0.000) 24.061 16.205 ( 9.146 -15.752 0.000) 18.214 16.396 ( -9.843 -11.032 0.000) 14.785 16.810 ( 33.748 4.277 0.000) 34.018 17.088 ( 33.361 -6.702 0.000) 34.027 17.448 ( -29.758 4.401 0.000) 30.081 17.711 ( -28.868 -6.596 0.000) 29.612 20.032 ( 12.874 6.227 0.000) 14.301 20.239 ( -8.145 4.642 0.000) 9.375 20.264 ( 6.728 -3.606 0.000) 7.633 20.362 ( -3.484 -0.413 0.000) 3.508 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 0.000 -22.502 0.000) 22.502 1.755 ( 0.000 22.502 0.000) 22.502 1.797 ( 0.000 -22.921 0.000) 22.921 1.797 ( 0.000 22.921 0.000) 22.921 2.235 ( 0.000 -4.144 0.000) 4.144 2.235 ( 0.000 4.144 0.000) 4.144 2.928 ( 0.000 -2.054 0.000) 2.054 2.928 ( 0.000 2.054 0.000) 2.054 3.189 ( 0.000 -30.693 0.000) 30.693 3.189 ( 0.000 30.693 0.000) 30.693 3.493 ( 0.000 -9.587 0.000) 9.587 3.493 ( 0.000 9.587 0.000) 9.587 3.949 ( 0.000 -9.079 0.000) 9.079 3.949 ( 0.000 9.079 0.000) 9.079 4.007 ( 0.000 -5.919 0.000) 5.919 4.007 ( 0.000 5.919 0.000) 5.919 4.871 ( 0.000 -18.748 0.000) 18.748 4.871 ( 0.000 18.748 0.000) 18.748 5.031 ( 0.000 -14.105 0.000) 14.105 5.031 ( 0.000 14.105 0.000) 14.105 5.264 ( 0.000 -19.086 0.000) 19.086 5.264 ( 0.000 19.086 0.000) 19.086 5.713 ( 0.000 -27.331 0.000) 27.331 5.713 ( 0.000 27.331 0.000) 27.331 6.707 ( 0.000 -4.757 0.000) 4.757 6.707 ( 0.000 4.757 0.000) 4.757 7.164 ( 0.000 -5.706 0.000) 5.706 7.164 ( 0.000 5.706 0.000) 5.706 7.558 ( 0.000 -5.489 0.000) 5.489 7.558 ( 0.000 5.489 0.000) 5.489 7.646 ( 0.000 -6.738 0.000) 6.738 7.646 ( 0.000 6.738 0.000) 6.738 8.378 ( 0.000 -6.595 0.000) 6.595 8.378 ( 0.000 6.595 0.000) 6.595 10.334 ( 0.000 -2.313 0.000) 2.313 10.334 ( 0.000 2.313 0.000) 2.313 11.278 ( 0.000 -21.637 0.000) 21.637 11.278 ( 0.000 21.637 0.000) 21.637 11.917 ( 0.000 -11.415 0.000) 11.415 11.917 ( 0.000 11.415 0.000) 11.415 12.687 ( 0.000 -1.337 0.000) 1.337 12.687 ( 0.000 1.337 0.000) 1.337 12.788 ( 0.000 -2.150 0.000) 2.150 12.788 ( 0.000 2.150 0.000) 2.150 13.896 ( 0.000 -13.292 0.000) 13.292 13.896 ( 0.000 13.292 0.000) 13.292 14.316 ( 0.000 -10.390 0.000) 10.390 14.316 ( 0.000 10.390 0.000) 10.390 15.002 ( 0.000 -6.762 0.000) 6.762 15.002 ( 0.000 6.762 0.000) 6.762 15.273 ( 0.000 -26.394 0.000) 26.394 15.273 ( 0.000 26.394 0.000) 26.394 17.892 ( 0.000 -3.543 0.000) 3.543 17.892 ( 0.000 3.543 0.000) 3.543 18.461 ( 0.000 -6.435 0.000) 6.435 18.461 ( 0.000 6.435 0.000) 6.435 18.719 ( 0.000 -5.539 0.000) 5.539 18.719 ( 0.000 5.539 0.000) 5.539 20.477 ( 0.000 -0.893 0.000) 0.893 20.477 ( 0.000 0.893 0.000) 0.893 ======================= Grid point 29 (17/100) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 5.164 -19.204 0.000) 19.886 1.838 ( 5.164 19.204 0.000) 19.886 1.840 ( 3.954 -21.662 0.000) 22.020 1.840 ( 3.954 21.662 0.000) 22.020 2.272 ( 3.924 -7.496 0.000) 8.461 2.272 ( 3.924 7.496 0.000) 8.461 2.877 ( -4.887 -2.019 0.000) 5.288 2.877 ( -4.887 2.019 0.000) 5.288 3.320 ( 13.066 -24.576 0.000) 27.834 3.320 ( 13.066 24.576 0.000) 27.834 3.458 ( -3.939 -10.382 0.000) 11.104 3.458 ( -3.939 10.382 0.000) 11.104 3.827 ( -9.492 -6.781 0.000) 11.665 3.827 ( -9.492 6.781 0.000) 11.665 4.056 ( 5.411 -8.625 0.000) 10.182 4.056 ( 5.411 8.625 0.000) 10.182 4.932 ( 3.168 -15.489 0.000) 15.810 4.932 ( 3.168 15.489 0.000) 15.810 5.015 ( 0.420 -12.289 0.000) 12.296 5.015 ( 0.420 12.289 0.000) 12.296 5.304 ( 3.843 -18.685 0.000) 19.076 5.304 ( 3.843 18.685 0.000) 19.076 5.723 ( 1.109 -25.886 0.000) 25.910 5.723 ( 1.109 25.886 0.000) 25.910 6.721 ( 3.034 -7.542 0.000) 8.129 6.721 ( 3.034 7.542 0.000) 8.129 7.166 ( -0.854 -3.625 0.000) 3.724 7.166 ( -0.854 3.625 0.000) 3.724 7.495 ( -5.384 -3.112 0.000) 6.219 7.495 ( -5.384 3.112 0.000) 6.219 7.581 ( -6.225 -7.784 0.000) 9.967 7.581 ( -6.225 7.784 0.000) 9.967 8.653 ( 24.040 -12.160 0.000) 26.941 8.653 ( 24.040 12.160 0.000) 26.941 10.322 ( -1.182 -2.456 0.000) 2.726 10.322 ( -1.182 2.456 0.000) 2.726 11.285 ( 0.684 -20.285 0.000) 20.296 11.285 ( 0.684 20.285 0.000) 20.296 11.904 ( -1.294 -11.735 0.000) 11.807 11.904 ( -1.294 11.735 0.000) 11.807 12.654 ( -3.066 -3.929 0.000) 4.983 12.654 ( -3.066 3.929 0.000) 4.983 12.768 ( -2.123 -3.165 0.000) 3.811 12.768 ( -2.123 3.165 0.000) 3.811 13.876 ( -1.874 -13.681 0.000) 13.808 13.876 ( -1.874 13.681 0.000) 13.808 14.226 ( -8.422 -15.311 0.000) 17.474 14.226 ( -8.422 15.311 0.000) 17.474 15.167 ( 16.252 -7.089 0.000) 17.731 15.167 ( 16.252 7.089 0.000) 17.731 15.312 ( 3.925 -25.744 0.000) 26.042 15.312 ( 3.925 25.744 0.000) 26.042 17.419 ( -30.025 -2.232 0.000) 30.108 17.419 ( -30.025 2.232 0.000) 30.108 18.651 ( -6.962 -5.613 0.000) 8.943 18.651 ( -6.962 5.613 0.000) 8.943 18.947 ( 31.087 -10.151 0.000) 32.702 18.947 ( 31.087 10.151 0.000) 32.702 20.473 ( -0.420 -0.710 0.000) 0.825 20.473 ( -0.420 0.710 0.000) 0.825 ======================= Grid point 31 (18/100) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 2.013 -12.821 0.000) 12.978 1.897 ( 2.013 12.821 0.000) 12.978 1.931 ( 4.631 -18.809 0.000) 19.371 1.931 ( 4.631 18.809 0.000) 19.371 2.357 ( 3.242 -12.072 0.000) 12.499 2.357 ( 3.242 12.072 0.000) 12.499 2.753 ( -7.050 -2.275 0.000) 7.408 2.753 ( -7.050 2.275 0.000) 7.408 3.330 ( -8.726 -10.230 0.000) 13.447 3.330 ( -8.726 10.230 0.000) 13.447 3.421 ( -10.305 -2.351 0.000) 10.570 3.421 ( -10.305 2.351 0.000) 10.570 3.931 ( 27.018 -12.622 0.000) 29.821 3.931 ( 27.018 12.622 0.000) 29.821 4.226 ( 11.249 -12.527 0.000) 16.837 4.226 ( 11.249 12.527 0.000) 16.837 4.895 ( -3.428 -16.022 0.000) 16.384 4.895 ( -3.428 16.022 0.000) 16.384 5.138 ( 8.911 -13.585 0.000) 16.247 5.138 ( 8.911 13.585 0.000) 16.247 5.399 ( 5.017 -18.361 0.000) 19.034 5.399 ( 5.017 18.361 0.000) 19.034 5.768 ( 3.990 -21.643 0.000) 22.008 5.768 ( 3.990 21.643 0.000) 22.008 6.838 ( 7.052 -9.084 0.000) 11.500 6.838 ( 7.052 9.084 0.000) 11.500 7.039 ( -13.682 -3.587 0.000) 14.144 7.039 ( -13.682 3.587 0.000) 14.144 7.418 ( -9.240 -7.604 0.000) 11.967 7.418 ( -9.240 7.604 0.000) 11.967 7.429 ( 0.111 -2.257 0.000) 2.259 7.429 ( 0.111 2.257 0.000) 2.259 9.181 ( 26.637 -18.136 0.000) 32.224 9.181 ( 26.637 18.136 0.000) 32.224 10.288 ( -2.258 -3.881 0.000) 4.490 10.288 ( -2.258 3.881 0.000) 4.490 11.309 ( 1.945 -16.739 0.000) 16.852 11.309 ( 1.945 16.739 0.000) 16.852 11.863 ( -2.934 -12.491 0.000) 12.831 11.863 ( -2.934 12.491 0.000) 12.831 12.581 ( -3.874 -6.583 0.000) 7.638 12.581 ( -3.874 6.583 0.000) 7.638 12.703 ( -4.365 -5.116 0.000) 6.725 12.703 ( -4.365 5.116 0.000) 6.725 13.829 ( -2.692 -14.759 0.000) 15.002 13.829 ( -2.692 14.759 0.000) 15.002 14.027 ( -10.429 -21.305 0.000) 23.720 14.027 ( -10.429 21.305 0.000) 23.720 15.426 ( 7.503 -23.988 0.000) 25.134 15.426 ( 7.503 23.988 0.000) 25.134 15.617 ( 28.220 -7.327 0.000) 29.156 15.617 ( 28.220 7.327 0.000) 29.156 16.883 ( -23.683 -4.571 0.000) 24.120 16.883 ( -23.683 4.571 0.000) 24.120 18.440 ( -14.373 -5.830 0.000) 15.511 18.440 ( -14.373 5.830 0.000) 15.511 19.501 ( 24.101 -11.129 0.000) 26.547 19.501 ( 24.101 11.129 0.000) 26.547 20.457 ( -1.328 -0.304 0.000) 1.362 20.457 ( -1.328 0.304 0.000) 1.362 ======================= Grid point 33 (19/100) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 5.387 -5.002 0.000) 7.352 1.967 ( 5.387 5.002 0.000) 7.352 2.012 ( 3.557 -15.878 0.000) 16.271 2.012 ( 3.557 15.878 0.000) 16.271 2.381 ( -0.541 -12.734 0.000) 12.746 2.381 ( -0.541 12.734 0.000) 12.746 2.615 ( -6.730 -2.975 0.000) 7.358 2.615 ( -6.730 2.975 0.000) 7.358 3.138 ( -9.665 -10.024 0.000) 13.925 3.138 ( -9.665 10.024 0.000) 13.925 3.172 ( -11.841 -3.924 0.000) 12.475 3.172 ( -11.841 3.924 0.000) 12.475 4.466 ( 11.859 -15.699 0.000) 19.675 4.466 ( 11.859 15.699 0.000) 19.675 4.569 ( 30.503 -12.587 0.000) 32.998 4.569 ( 30.503 12.587 0.000) 32.998 4.866 ( 3.184 -12.710 0.000) 13.103 4.866 ( 3.184 12.710 0.000) 13.103 5.322 ( 9.515 -13.399 0.000) 16.434 5.322 ( 9.515 13.399 0.000) 16.434 5.469 ( 1.360 -18.213 0.000) 18.264 5.469 ( 1.360 18.213 0.000) 18.264 5.910 ( 10.789 -14.445 0.000) 18.029 5.910 ( 10.789 14.445 0.000) 18.029 6.656 ( -23.720 -3.329 0.000) 23.953 6.656 ( -23.720 3.329 0.000) 23.953 6.859 ( -8.348 -9.277 0.000) 12.480 6.859 ( -8.348 9.277 0.000) 12.480 7.315 ( 1.482 -6.882 0.000) 7.040 7.315 ( 1.482 6.882 0.000) 7.040 7.461 ( 1.787 -3.671 0.000) 4.082 7.461 ( 1.787 3.671 0.000) 4.082 9.648 ( 19.844 -18.900 0.000) 27.404 9.648 ( 19.844 18.900 0.000) 27.404 10.230 ( -3.635 -6.964 0.000) 7.856 10.230 ( -3.635 6.964 0.000) 7.856 11.373 ( 4.803 -12.959 0.000) 13.821 11.373 ( 4.803 12.959 0.000) 13.821 11.784 ( -5.181 -13.014 0.000) 14.008 11.784 ( -5.181 13.014 0.000) 14.008 12.512 ( -2.839 -7.878 0.000) 8.374 12.512 ( -2.839 7.878 0.000) 8.374 12.603 ( -5.342 -6.982 0.000) 8.791 12.603 ( -5.342 6.982 0.000) 8.791 13.778 ( -2.230 -16.291 0.000) 16.443 13.778 ( -2.230 16.291 0.000) 16.443 13.851 ( -6.835 -22.618 0.000) 23.628 13.851 ( -6.835 22.618 0.000) 23.628 15.606 ( 10.558 -21.425 0.000) 23.886 15.606 ( 10.558 21.425 0.000) 23.886 16.234 ( 30.721 -7.265 0.000) 31.569 16.234 ( 30.721 7.265 0.000) 31.569 16.480 ( -15.190 -9.161 0.000) 17.739 16.480 ( -15.190 9.161 0.000) 17.739 18.079 ( -22.121 -6.180 0.000) 22.968 18.079 ( -22.121 6.180 0.000) 22.968 19.900 ( 16.387 -8.864 0.000) 18.631 19.900 ( 16.387 8.864 0.000) 18.631 20.414 ( -3.139 -1.261 0.000) 3.383 20.414 ( -3.139 1.261 0.000) 3.383 ======================= Grid point 35 (20/100) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 2.546 -12.562 0.000) 12.818 2.074 ( 2.546 12.562 0.000) 12.818 2.076 ( 3.592 -5.324 0.000) 6.422 2.076 ( 3.592 5.324 0.000) 6.422 2.376 ( 1.897 -8.847 0.000) 9.048 2.376 ( 1.897 8.847 0.000) 9.048 2.480 ( -7.025 -0.922 0.000) 7.085 2.480 ( -7.025 0.922 0.000) 7.085 2.992 ( -4.013 -10.142 0.000) 10.907 2.992 ( -4.013 10.142 0.000) 10.907 3.001 ( -4.870 -7.827 0.000) 9.218 3.001 ( -4.870 7.827 0.000) 9.218 4.661 ( 7.415 -18.607 0.000) 20.030 4.661 ( 7.415 18.607 0.000) 20.030 4.755 ( -2.005 -20.819 0.000) 20.916 4.755 ( -2.005 20.819 0.000) 20.916 5.253 ( 19.988 -14.457 0.000) 24.668 5.253 ( 19.988 14.457 0.000) 24.668 5.446 ( -3.859 -17.543 0.000) 17.963 5.446 ( -3.859 17.543 0.000) 17.963 5.569 ( 19.903 -17.050 0.000) 26.208 5.569 ( 19.903 17.050 0.000) 26.208 6.078 ( -18.902 -4.310 0.000) 19.387 6.078 ( -18.902 4.310 0.000) 19.387 6.240 ( 6.866 -11.279 0.000) 13.205 6.240 ( 6.866 11.279 0.000) 13.205 6.570 ( -17.966 -9.007 0.000) 20.097 6.570 ( -17.966 9.007 0.000) 20.097 7.406 ( 5.000 -6.373 0.000) 8.100 7.406 ( 5.000 6.373 0.000) 8.100 7.470 ( -1.259 -5.279 0.000) 5.427 7.470 ( -1.259 5.279 0.000) 5.427 9.960 ( 11.834 -15.841 0.000) 19.773 9.960 ( 11.834 15.841 0.000) 19.773 10.135 ( -6.377 -11.220 0.000) 12.906 10.135 ( -6.377 11.220 0.000) 12.906 11.500 ( 7.695 -11.523 0.000) 13.856 11.500 ( 7.695 11.523 0.000) 13.856 11.656 ( -7.551 -12.421 0.000) 14.536 11.656 ( -7.551 12.421 0.000) 14.536 12.479 ( -0.185 -8.279 0.000) 8.282 12.479 ( -0.185 8.279 0.000) 8.282 12.511 ( -3.400 -8.104 0.000) 8.789 12.511 ( -3.400 8.104 0.000) 8.789 13.747 ( -0.650 -18.267 0.000) 18.278 13.747 ( -0.650 18.267 0.000) 18.278 13.762 ( -2.359 -20.726 0.000) 20.860 13.762 ( -2.359 20.726 0.000) 20.860 15.841 ( 13.096 -18.158 0.000) 22.388 15.841 ( 13.096 18.158 0.000) 22.388 16.123 ( -15.270 -14.122 0.000) 20.800 16.123 ( -15.270 14.122 0.000) 20.800 16.938 ( 33.691 -7.136 0.000) 34.438 16.938 ( 33.691 7.136 0.000) 34.438 17.568 ( -29.211 -6.630 0.000) 29.954 17.568 ( -29.211 6.630 0.000) 29.954 20.163 ( 10.453 -5.800 0.000) 11.954 20.163 ( 10.453 5.800 0.000) 11.954 20.325 ( -6.124 -3.158 0.000) 6.891 20.325 ( -6.124 3.158 0.000) 6.891 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 0.000 0.000 29.089) 29.089 0.634 ( 0.000 0.000 30.351) 30.351 1.230 ( 0.000 0.000 58.851) 58.851 1.308 ( 0.000 0.000 8.937) 8.937 2.344 ( 0.000 0.000 1.901) 1.901 2.588 ( 0.000 0.000 1.983) 1.983 2.740 ( 0.000 0.000 2.926) 2.926 2.942 ( 0.000 0.000 -2.439) 2.439 2.968 ( 0.000 0.000 -3.426) 3.426 3.279 ( 0.000 0.000 -7.522) 7.522 3.338 ( 0.000 0.000 -16.524) 16.524 3.526 ( 0.000 0.000 1.229) 1.229 3.613 ( 0.000 0.000 -0.674) 0.674 3.819 ( 0.000 0.000 8.917) 8.917 4.049 ( 0.000 0.000 -4.025) 4.025 4.232 ( 0.000 0.000 -3.901) 3.901 4.236 ( 0.000 0.000 1.155) 1.155 4.481 ( 0.000 0.000 -2.878) 2.878 4.619 ( 0.000 0.000 10.825) 10.825 5.319 ( 0.000 0.000 28.463) 28.463 5.517 ( 0.000 0.000 0.149) 0.149 5.525 ( 0.000 0.000 -8.636) 8.636 5.620 ( 0.000 0.000 1.876) 1.876 6.697 ( 0.000 0.000 -7.153) 7.153 6.729 ( 0.000 0.000 4.767) 4.767 6.786 ( 0.000 0.000 -11.442) 11.442 7.098 ( 0.000 0.000 6.355) 6.355 7.220 ( 0.000 0.000 -6.741) 6.741 7.274 ( 0.000 0.000 2.721) 2.721 7.308 ( 0.000 0.000 -9.710) 9.710 7.782 ( 0.000 0.000 -11.192) 11.192 7.858 ( 0.000 0.000 -5.522) 5.522 8.362 ( 0.000 0.000 18.323) 18.323 8.726 ( 0.000 0.000 6.576) 6.576 10.269 ( 0.000 0.000 -1.651) 1.651 10.375 ( 0.000 0.000 3.032) 3.032 10.784 ( 0.000 0.000 -6.788) 6.788 10.909 ( 0.000 0.000 -1.102) 1.102 11.412 ( 0.000 0.000 3.241) 3.241 12.049 ( 0.000 0.000 -2.489) 2.489 12.620 ( 0.000 0.000 -8.678) 8.678 12.911 ( 0.000 0.000 -2.699) 2.699 12.942 ( 0.000 0.000 -3.344) 3.344 13.095 ( 0.000 0.000 0.305) 0.305 13.376 ( 0.000 0.000 -0.719) 0.719 14.126 ( 0.000 0.000 3.508) 3.508 14.430 ( 0.000 0.000 5.109) 5.109 14.690 ( 0.000 0.000 0.796) 0.796 14.825 ( 0.000 0.000 10.635) 10.635 14.894 ( 0.000 0.000 0.675) 0.675 15.416 ( 0.000 0.000 12.518) 12.518 16.349 ( 0.000 0.000 -1.082) 1.082 16.897 ( 0.000 0.000 -1.938) 1.938 17.703 ( 0.000 0.000 -5.872) 5.872 17.707 ( 0.000 0.000 -29.569) 29.569 17.974 ( 0.000 0.000 -6.317) 6.317 18.994 ( 0.000 0.000 25.115) 25.115 20.300 ( 0.000 0.000 0.793) 0.793 20.384 ( 0.000 0.000 -0.753) 0.753 20.493 ( 0.000 0.000 -0.174) 0.174 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 19.915 0.000 19.314) 27.742 0.858 ( 19.356 0.000 20.894) 28.482 1.675 ( 30.134 0.000 3.494) 30.336 1.702 ( 39.360 0.000 39.568) 55.811 2.379 ( 3.151 0.000 1.681) 3.571 2.599 ( -0.672 0.000 -4.686) 4.733 2.728 ( -0.023 0.000 3.624) 3.624 2.843 ( -11.107 0.000 -5.226) 12.275 2.907 ( -3.166 0.000 -1.543) 3.522 3.261 ( -14.859 0.000 -6.026) 16.034 3.312 ( 3.038 0.000 -6.253) 6.952 3.525 ( 0.008 0.000 2.380) 2.380 3.561 ( -2.166 0.000 3.932) 4.489 3.673 ( 0.147 0.000 -6.002) 6.004 4.158 ( -7.097 0.000 -3.643) 7.977 4.214 ( 8.186 0.000 12.343) 14.811 4.291 ( -7.151 0.000 -3.260) 7.859 4.350 ( 9.466 0.000 -8.859) 12.965 4.762 ( 6.951 0.000 13.935) 15.573 5.172 ( -6.513 0.000 13.785) 15.247 5.517 ( -0.347 0.000 -6.480) 6.489 5.708 ( 6.649 0.000 -3.781) 7.649 5.839 ( 22.814 0.000 11.013) 25.333 6.516 ( -13.529 0.000 9.100) 16.305 6.755 ( -3.844 0.000 -7.666) 8.576 6.815 ( -2.124 0.000 2.201) 3.058 6.974 ( 2.120 0.000 0.016) 2.120 6.992 ( -13.127 0.000 -12.639) 18.222 7.198 ( 5.308 0.000 9.431) 10.822 7.436 ( 7.229 0.000 5.275) 8.949 7.647 ( -10.443 0.000 -10.517) 14.821 7.881 ( -1.797 0.000 0.943) 2.029 8.366 ( 9.028 0.000 9.796) 13.322 9.685 ( 41.672 0.000 -38.058) 56.435 10.262 ( -0.360 0.000 -2.509) 2.535 10.417 ( 4.124 0.000 3.255) 5.254 10.756 ( -2.435 0.000 -11.322) 11.581 10.949 ( 4.099 0.000 -0.998) 4.218 11.392 ( -1.984 0.000 3.914) 4.389 12.057 ( 0.866 0.000 -2.921) 3.046 12.571 ( -4.233 0.000 -5.859) 7.228 12.856 ( -5.629 0.000 -2.279) 6.073 12.911 ( -3.031 0.000 -1.575) 3.416 13.096 ( -0.112 0.000 -1.022) 1.028 13.366 ( -1.418 0.000 2.306) 2.707 13.808 ( -38.536 0.000 44.549) 58.904 14.152 ( 3.157 0.000 0.572) 3.208 14.436 ( 0.555 0.000 5.091) 5.121 14.986 ( -1.954 0.000 -3.505) 4.013 15.004 ( 17.257 0.000 12.034) 21.039 15.583 ( 16.363 0.000 11.753) 20.147 16.352 ( -0.003 0.000 -2.628) 2.628 16.868 ( -3.912 0.000 -2.732) 4.771 17.157 ( -26.461 0.000 -12.369) 29.209 18.149 ( 15.900 0.000 -17.447) 23.605 18.503 ( 23.384 0.000 -25.511) 34.607 19.015 ( 3.531 0.000 22.395) 22.671 20.284 ( -6.838 0.000 1.497) 7.000 20.314 ( -4.756 0.000 1.637) 5.030 20.371 ( -1.387 0.000 -1.006) 1.714 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 23.772 0.000 9.389) 25.559 1.287 ( 22.329 0.000 10.461) 24.657 2.200 ( 14.842 0.000 -0.695) 14.858 2.425 ( -1.702 0.000 0.669) 1.829 2.429 ( 19.353 0.000 21.263) 28.752 2.576 ( 0.046 0.000 -8.450) 8.450 2.600 ( -8.867 0.000 -5.688) 10.535 2.814 ( 6.677 0.000 0.607) 6.705 2.834 ( 6.755 0.000 2.039) 7.056 2.933 ( -10.044 0.000 5.261) 11.339 3.390 ( 4.304 0.000 -2.670) 5.065 3.523 ( 0.575 0.000 4.989) 5.022 3.532 ( -4.696 0.000 3.913) 6.113 3.792 ( 12.101 0.000 -12.469) 17.376 3.973 ( -10.594 0.000 -1.801) 10.746 4.217 ( -1.312 0.000 -11.242) 11.319 4.394 ( 9.306 0.000 15.080) 17.720 4.517 ( 7.172 0.000 -9.045) 11.543 4.939 ( 12.103 0.000 16.324) 20.322 5.130 ( 3.116 0.000 7.183) 7.830 5.527 ( 1.746 0.000 -3.819) 4.199 5.855 ( 7.854 0.000 -6.779) 10.375 6.278 ( 18.049 0.000 7.906) 19.705 6.293 ( -8.907 0.000 9.129) 12.754 6.560 ( -15.761 0.000 -6.752) 17.147 6.741 ( -3.089 0.000 0.197) 3.095 6.822 ( -2.043 0.000 -13.451) 13.605 7.046 ( -6.133 0.000 -5.206) 8.045 7.312 ( 5.621 0.000 6.505) 8.597 7.466 ( -3.634 0.000 -6.403) 7.362 7.533 ( 2.527 0.000 9.331) 9.667 7.819 ( -2.580 0.000 10.457) 10.771 8.631 ( 16.164 0.000 2.696) 16.387 10.039 ( -1.281 0.000 -12.084) 12.152 10.310 ( 5.488 0.000 -11.772) 12.989 10.533 ( 7.367 0.000 3.792) 8.286 10.704 ( -2.828 0.000 -18.647) 18.860 11.072 ( 8.104 0.000 -1.246) 8.199 11.338 ( -3.015 0.000 5.807) 6.543 12.082 ( 1.544 0.000 -3.811) 4.112 12.477 ( -5.191 0.000 -4.264) 6.718 12.688 ( -11.281 0.000 -1.278) 11.353 12.849 ( -1.612 0.000 3.961) 4.276 13.085 ( -0.960 0.000 -2.302) 2.494 13.303 ( -4.280 0.000 19.289) 19.758 13.424 ( -6.330 0.000 15.081) 16.356 14.272 ( 9.159 0.000 -4.454) 10.184 14.454 ( 1.334 0.000 4.736) 4.920 14.902 ( -5.710 0.000 -1.973) 6.041 15.467 ( 28.457 0.000 13.269) 31.398 16.034 ( 28.212 0.000 10.391) 30.065 16.280 ( -12.522 0.000 -13.770) 18.612 16.610 ( -13.469 0.000 0.210) 13.471 16.881 ( -4.226 0.000 -1.570) 4.508 18.247 ( -6.052 0.000 -4.367) 7.463 18.663 ( -4.453 0.000 -7.263) 8.519 19.200 ( 14.858 0.000 8.454) 17.095 20.163 ( -1.985 0.000 -7.040) 7.314 20.302 ( -0.228 0.000 -1.253) 1.274 20.326 ( -3.334 0.000 -1.694) 3.740 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 19.774 0.000 5.808) 20.609 1.723 ( 19.032 0.000 3.785) 19.405 2.148 ( -8.007 0.000 0.917) 8.059 2.274 ( -11.360 0.000 1.076) 11.411 2.498 ( -1.651 0.000 8.330) 8.492 2.532 ( -4.509 0.000 -5.120) 6.823 2.576 ( 0.546 0.000 -3.485) 3.528 2.718 ( -5.488 0.000 -3.512) 6.515 2.958 ( 6.786 0.000 3.625) 7.693 3.253 ( 8.976 0.000 4.682) 10.124 3.384 ( -9.169 0.000 7.017) 11.546 3.451 ( 1.029 0.000 0.939) 1.393 3.644 ( 8.276 0.000 2.304) 8.590 3.822 ( -0.543 0.000 1.985) 2.058 4.108 ( 17.573 0.000 -12.066) 21.317 4.294 ( 14.790 0.000 -10.965) 18.411 4.518 ( 2.212 0.000 8.900) 9.171 4.673 ( 10.555 0.000 -8.857) 13.779 5.235 ( 16.528 0.000 10.935) 19.817 5.290 ( 10.563 0.000 3.492) 11.125 5.583 ( 3.191 0.000 -1.641) 3.588 5.995 ( 3.997 0.000 -4.137) 5.753 6.099 ( -11.632 0.000 -3.876) 12.261 6.194 ( -16.744 0.000 -14.115) 21.900 6.433 ( -4.362 0.000 -2.369) 4.964 6.626 ( -10.042 0.000 2.901) 10.453 6.861 ( -5.362 0.000 -4.441) 6.962 6.951 ( 13.768 0.000 4.832) 14.591 7.208 ( -11.891 0.000 -0.877) 11.924 7.533 ( -2.547 0.000 11.206) 11.491 7.606 ( 10.655 0.000 6.100) 12.278 7.819 ( 1.783 0.000 14.507) 14.616 8.968 ( 17.352 0.000 -1.332) 17.403 9.885 ( -11.578 0.000 -4.379) 12.379 10.397 ( 3.363 0.000 -9.683) 10.251 10.633 ( -4.372 0.000 -16.613) 17.178 10.698 ( 9.006 0.000 4.315) 9.986 11.165 ( -2.860 0.000 0.980) 3.023 11.381 ( 11.333 0.000 4.890) 12.343 12.116 ( 2.058 0.000 -3.228) 3.828 12.363 ( -6.045 0.000 -3.552) 7.012 12.414 ( -16.091 0.000 -0.106) 16.091 12.878 ( 3.832 0.000 1.421) 4.087 13.060 ( -1.560 0.000 -3.671) 3.988 13.249 ( -1.185 0.000 18.757) 18.794 13.350 ( -2.796 0.000 7.349) 7.863 14.491 ( 2.508 0.000 3.833) 4.581 14.515 ( 15.291 0.000 -8.374) 17.434 14.778 ( -6.531 0.000 -0.637) 6.562 15.832 ( -26.170 0.000 -15.719) 30.528 16.086 ( 31.763 0.000 11.382) 33.741 16.551 ( 2.502 0.000 4.816) 5.427 16.659 ( 33.753 0.000 9.104) 34.960 16.815 ( -2.386 0.000 -0.601) 2.460 17.974 ( -20.102 0.000 5.404) 20.816 18.416 ( -19.101 0.000 3.098) 19.351 19.530 ( 16.955 0.000 -0.805) 16.974 20.175 ( 2.223 0.000 -10.811) 11.038 20.233 ( -6.181 0.000 -2.610) 6.709 20.293 ( -0.766 0.000 -3.591) 3.672 ======================= Grid point 67 (25/100) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 2.800 0.000 4.072) 4.941 2.024 ( -9.487 0.000 1.755) 9.648 2.063 ( 15.911 0.000 4.497) 16.535 2.266 ( 14.102 0.000 -1.689) 14.202 2.337 ( -11.694 0.000 5.210) 12.802 2.511 ( -8.231 0.000 -4.869) 9.563 2.538 ( 2.722 0.000 -3.740) 4.626 2.615 ( -4.784 0.000 -3.856) 6.145 3.077 ( 5.618 0.000 6.235) 8.392 3.207 ( -7.942 0.000 8.724) 11.798 3.320 ( 2.357 0.000 4.360) 4.957 3.395 ( -4.920 0.000 3.861) 6.254 3.727 ( 4.642 0.000 -1.884) 5.010 3.819 ( -3.500 0.000 0.669) 3.563 4.385 ( 9.339 0.000 -2.359) 9.632 4.502 ( -3.229 0.000 3.432) 4.712 4.874 ( 36.755 0.000 -9.283) 37.909 4.978 ( 19.540 0.000 -16.672) 25.686 5.332 ( -11.126 0.000 -11.705) 16.149 5.500 ( -0.994 0.000 -0.928) 1.360 5.570 ( -9.302 0.000 -2.619) 9.664 5.670 ( -11.840 0.000 -1.782) 11.974 6.041 ( 4.902 0.000 -4.821) 6.875 6.190 ( 10.979 0.000 -2.139) 11.186 6.251 ( -12.115 0.000 -1.627) 12.223 6.422 ( -10.743 0.000 5.899) 12.256 6.846 ( 2.687 0.000 -1.218) 2.950 6.970 ( -10.032 0.000 -0.110) 10.033 7.229 ( 12.645 0.000 9.739) 15.961 7.432 ( -7.704 0.000 11.157) 13.559 7.777 ( 6.063 0.000 10.146) 11.819 7.840 ( -0.551 0.000 12.815) 12.827 9.306 ( 16.569 0.000 -3.264) 16.888 9.619 ( -14.890 0.000 -3.787) 15.364 10.463 ( 3.542 0.000 -9.850) 10.467 10.542 ( -4.471 0.000 -12.331) 13.117 10.879 ( 8.971 0.000 4.497) 10.035 11.046 ( -7.681 0.000 3.978) 8.650 11.692 ( 18.170 0.000 2.221) 18.305 12.064 ( -18.804 0.000 1.052) 18.833 12.169 ( 3.337 0.000 -2.308) 4.058 12.251 ( -5.010 0.000 -2.355) 5.536 12.962 ( 3.902 0.000 -3.589) 5.302 13.022 ( -2.334 0.000 -4.648) 5.201 13.251 ( 1.387 0.000 15.060) 15.124 13.295 ( -2.745 0.000 10.656) 11.004 14.556 ( 4.106 0.000 2.438) 4.775 14.654 ( -5.716 0.000 0.859) 5.780 14.871 ( 20.499 0.000 -11.080) 23.302 15.320 ( -24.608 0.000 -13.377) 28.009 16.555 ( 8.904 0.000 1.707) 9.067 16.627 ( 1.300 0.000 3.781) 3.998 16.931 ( 22.632 0.000 8.310) 24.109 17.331 ( 33.201 0.000 7.940) 34.137 17.489 ( -28.071 0.000 9.407) 29.605 17.943 ( -27.975 0.000 6.483) 28.717 19.839 ( 13.902 0.000 -3.315) 14.292 20.075 ( -9.878 0.000 -3.381) 10.441 20.226 ( 2.565 0.000 -9.257) 9.606 20.269 ( -1.692 0.000 -6.401) 6.620 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 0.000 20.111 20.769) 28.910 0.925 ( 0.000 21.724 18.521) 28.547 1.651 ( 0.000 33.608 37.250) 50.170 2.205 ( 0.000 18.996 -22.259) 29.263 2.279 ( 0.000 -6.738 -1.707) 6.950 2.541 ( 0.000 -3.486 6.303) 7.203 2.717 ( 0.000 -0.681 2.528) 2.618 2.892 ( 0.000 -1.729 -1.768) 2.472 3.054 ( 0.000 -11.865 -11.063) 16.223 3.083 ( 0.000 6.939 -1.590) 7.119 3.445 ( 0.000 4.788 -13.634) 14.450 3.488 ( 0.000 4.132 -4.871) 6.387 3.743 ( 0.000 5.715 5.754) 8.109 3.968 ( 0.000 12.332 1.646) 12.442 4.081 ( 0.000 -1.249 -5.883) 6.014 4.142 ( 0.000 -2.775 -7.666) 8.152 4.286 ( 0.000 -9.498 -2.197) 9.749 4.348 ( 0.000 9.431 2.652) 9.797 4.682 ( 0.000 7.112 10.583) 12.751 5.316 ( 0.000 -0.335 24.007) 24.010 5.444 ( 0.000 -6.671 -7.619) 10.127 5.548 ( 0.000 -6.195 3.846) 7.292 5.975 ( 0.000 19.640 -5.921) 20.513 6.529 ( 0.000 -15.590 -2.532) 15.795 6.696 ( 0.000 -11.079 3.218) 11.537 6.755 ( 0.000 4.800 -6.669) 8.216 7.037 ( 0.000 -1.655 -4.929) 5.200 7.046 ( 0.000 -4.206 6.013) 7.338 7.265 ( 0.000 3.948 -6.789) 7.854 7.458 ( 0.000 3.541 -0.699) 3.609 7.753 ( 0.000 -2.694 -10.867) 11.196 7.785 ( 0.000 -6.020 -3.397) 6.912 8.335 ( 0.000 0.277 17.234) 17.237 8.690 ( 0.000 -3.219 7.014) 7.718 10.273 ( 0.000 0.497 -1.386) 1.473 10.511 ( 0.000 12.279 2.838) 12.602 10.523 ( 0.000 -6.726 2.892) 7.321 11.484 ( 0.000 6.609 2.714) 7.144 11.514 ( 0.000 20.454 -26.313) 33.328 12.044 ( 0.000 0.190 -2.935) 2.941 12.614 ( 0.000 -0.329 -8.164) 8.171 12.830 ( 0.000 -7.975 -4.106) 8.970 12.903 ( 0.000 -3.576 -3.881) 5.277 12.992 ( 0.000 -8.873 0.686) 8.899 13.424 ( 0.000 5.901 1.353) 6.054 14.303 ( 0.000 11.536 6.041) 13.022 14.363 ( 0.000 -6.188 4.474) 7.636 14.372 ( 0.000 -14.244 23.213) 27.235 14.648 ( 0.000 -3.732 1.556) 4.043 14.871 ( 0.000 3.932 10.458) 11.172 15.381 ( 0.000 -3.193 12.753) 13.147 16.210 ( 0.000 -12.964 0.018) 12.964 17.481 ( 0.000 23.497 -34.775) 41.970 17.721 ( 0.000 1.424 -30.253) 30.286 17.747 ( 0.000 5.032 -9.904) 11.110 17.960 ( 0.000 -1.271 -6.636) 6.756 19.015 ( 0.000 2.219 25.384) 25.480 19.962 ( 0.000 -28.076 27.380) 39.217 20.347 ( 0.000 3.896 0.823) 3.982 20.434 ( 0.000 1.778 1.779) 2.516 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.11 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 13.549 16.506 14.015) 25.543 1.090 ( 14.924 17.265 15.983) 27.861 1.992 ( 27.793 23.905 26.913) 45.478 2.227 ( 7.807 11.446 -5.541) 14.922 2.345 ( 5.439 0.458 -2.559) 6.028 2.507 ( -3.167 -6.282 1.795) 7.260 2.773 ( 4.653 5.107 0.815) 6.957 2.833 ( -5.666 0.567 -2.215) 6.109 2.953 ( -6.572 0.628 -6.095) 8.985 3.142 ( 2.219 -3.516 -5.739) 7.086 3.304 ( -15.538 1.320 -5.543) 16.550 3.467 ( -2.281 1.779 -4.228) 5.123 3.671 ( -3.466 4.305 1.946) 5.859 3.841 ( 1.333 10.578 0.874) 10.698 4.058 ( -5.144 -6.271 0.675) 8.139 4.215 ( -2.552 -2.521 -7.637) 8.438 4.346 ( 8.967 8.911 -3.430) 13.098 4.497 ( 10.616 7.001 -0.478) 12.725 4.655 ( 0.419 0.950 13.542) 13.582 5.283 ( -1.653 4.372 17.201) 17.825 5.448 ( 0.477 -5.775 -3.305) 6.671 5.612 ( 5.393 -8.705 -2.670) 10.582 6.082 ( 11.218 14.068 2.410) 18.154 6.351 ( -11.666 -14.029 8.263) 20.030 6.604 ( -4.914 -7.243 2.381) 9.070 6.930 ( -4.225 3.372 -7.405) 9.168 6.936 ( 12.185 0.645 -2.868) 12.535 7.057 ( -12.466 4.574 -10.954) 17.214 7.162 ( 4.213 -1.916 8.156) 9.378 7.504 ( 4.508 4.472 5.160) 8.182 7.597 ( -11.291 -4.610 -9.974) 15.755 7.836 ( -0.784 -3.954 0.621) 4.079 8.403 ( 10.011 3.486 9.180) 14.023 9.336 ( 40.666 -22.138 -14.089) 48.398 10.258 ( -1.753 0.186 -1.374) 2.235 10.500 ( -1.872 -6.675 2.046) 7.229 10.550 ( 3.775 11.772 3.140) 12.755 11.451 ( -3.494 12.107 -7.710) 14.772 11.484 ( -2.444 13.340 -11.439) 17.742 12.054 ( 0.957 0.142 -3.369) 3.505 12.563 ( -4.469 -0.713 -4.932) 6.693 12.765 ( -5.339 -6.379 -4.486) 9.451 12.912 ( -0.292 -2.636 -3.921) 4.734 12.997 ( 0.186 -9.006 -0.661) 9.032 13.410 ( -1.357 5.574 2.547) 6.277 13.847 ( -29.017 5.877 33.882) 44.995 14.320 ( 0.902 9.037 1.961) 9.291 14.385 ( 2.409 0.301 2.415) 3.425 14.797 ( 2.726 -12.531 0.215) 12.826 15.048 ( 17.084 3.965 12.025) 21.265 15.544 ( 15.919 -3.601 11.774) 20.125 16.222 ( 1.155 -12.198 -0.726) 12.274 17.050 ( -21.605 9.826 -11.245) 26.263 17.192 ( -24.797 3.697 -12.787) 28.144 18.168 ( 15.488 1.831 -17.471) 23.419 18.482 ( 21.213 -2.078 -23.935) 32.050 19.043 ( 4.261 2.838 22.192) 22.775 19.966 ( 1.127 -21.529 14.651) 26.066 20.346 ( -0.096 3.729 0.337) 3.746 20.415 ( -1.828 2.376 0.624) 3.062 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.22 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 18.149 8.997 8.287) 21.887 1.445 ( 19.695 10.383 10.215) 24.496 2.240 ( -0.060 -4.794 2.498) 5.406 2.429 ( -3.204 -6.993 0.483) 7.708 2.456 ( 2.869 4.000 2.435) 5.492 2.665 ( -4.088 4.761 1.517) 6.456 2.694 ( 17.806 0.469 3.765) 18.206 2.818 ( -6.296 6.120 -8.851) 12.467 2.841 ( -7.053 16.188 -4.263) 18.165 3.092 ( 9.705 5.842 5.561) 12.619 3.176 ( 2.398 -5.189 0.235) 5.721 3.425 ( -0.457 -4.478 2.595) 5.196 3.715 ( 4.048 -2.388 -4.112) 6.245 3.844 ( -4.096 3.157 1.469) 5.376 3.997 ( 3.236 10.276 -2.715) 11.110 4.162 ( -1.161 -1.609 -7.460) 7.719 4.555 ( 11.810 5.668 -3.283) 13.505 4.577 ( 2.212 11.587 8.528) 14.555 4.842 ( 14.189 -1.767 3.412) 14.700 5.293 ( 2.792 5.917 8.920) 11.062 5.483 ( 3.884 -2.389 2.777) 5.339 5.752 ( 8.491 -9.528 -5.355) 13.841 6.175 ( -6.048 -11.195 9.579) 15.926 6.317 ( 7.505 -0.601 -0.695) 7.561 6.499 ( -7.727 0.187 -1.402) 7.855 6.799 ( -7.369 3.386 -3.748) 8.934 6.891 ( -2.091 5.357 -12.363) 13.635 7.064 ( -6.163 1.874 -3.437) 7.301 7.272 ( 6.109 -3.182 8.242) 10.741 7.400 ( -3.013 -5.645 -6.114) 8.850 7.563 ( 0.602 2.102 7.669) 7.975 7.790 ( -1.856 -2.412 10.810) 11.230 8.686 ( 17.159 5.306 1.981) 18.069 9.923 ( 15.682 -14.582 -17.402) 27.593 10.214 ( -0.441 -4.464 -3.335) 5.590 10.470 ( -0.665 -7.894 -1.150) 8.005 10.657 ( 6.895 11.191 3.608) 13.631 11.367 ( -4.100 12.286 -7.039) 14.741 11.434 ( -2.058 8.921 -1.137) 9.225 12.076 ( 1.056 -0.551 -3.601) 3.792 12.469 ( -4.785 -0.917 -2.794) 5.616 12.626 ( -8.872 -3.826 -4.484) 10.651 12.891 ( -1.273 -0.594 -3.170) 3.468 12.990 ( -0.919 -8.762 -1.894) 9.011 13.374 ( -2.398 6.100 8.428) 10.676 13.448 ( -11.540 7.040 25.512) 28.872 14.346 ( 1.535 -3.257 3.415) 4.962 14.484 ( 8.055 11.681 -3.440) 14.600 14.764 ( -4.579 -11.740 -0.281) 12.604 15.508 ( 28.192 3.629 12.966) 31.242 15.975 ( 25.392 -5.577 8.251) 27.275 16.236 ( -1.172 -5.964 -5.296) 8.062 16.587 ( -21.201 -0.346 -5.195) 21.831 16.887 ( -8.881 0.044 -4.130) 9.794 18.258 ( -6.282 1.179 -4.084) 7.585 18.622 ( -4.874 -3.711 -6.653) 9.044 19.242 ( 15.330 4.040 7.859) 17.694 20.025 ( 4.610 -10.943 -3.699) 12.437 20.341 ( -0.540 3.281 -1.088) 3.499 20.364 ( -3.406 2.833 -1.038) 4.550 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 16.164 2.684 5.739) 17.361 1.831 ( 17.966 5.423 5.744) 19.627 2.147 ( -5.164 -2.503 1.125) 5.847 2.353 ( -8.604 2.622 1.760) 9.165 2.370 ( -6.521 -3.555 3.378) 8.159 2.583 ( -5.643 6.732 -3.840) 9.587 2.634 ( 0.240 -0.720 2.347) 2.467 2.708 ( -6.019 -1.180 -2.444) 6.602 2.966 ( 2.671 2.559 -4.040) 5.478 3.062 ( -5.431 -11.183 0.796) 12.457 3.358 ( 2.038 -3.971 5.617) 7.175 3.592 ( 2.810 1.409 -0.102) 3.146 3.691 ( 5.023 1.139 3.553) 6.257 3.830 ( 0.564 11.035 3.741) 11.666 4.196 ( 15.987 8.426 -13.719) 22.689 4.313 ( 20.831 5.808 -5.343) 22.275 4.630 ( 2.083 9.149 5.619) 10.937 4.788 ( 11.767 7.784 -7.361) 15.913 5.148 ( 15.350 -2.224 3.298) 15.857 5.378 ( 5.004 -1.273 0.427) 5.181 5.606 ( 6.893 4.526 8.588) 11.906 5.916 ( 6.656 -6.908 -5.412) 11.014 6.048 ( -8.139 -4.912 -0.989) 9.558 6.212 ( -15.107 0.691 -11.180) 18.807 6.386 ( -1.145 -4.683 -3.277) 5.830 6.601 ( -15.063 -1.963 -1.727) 15.288 6.831 ( -7.051 -0.328 -5.785) 9.126 7.036 ( 9.372 5.237 7.409) 13.044 7.173 ( -10.406 -2.847 0.406) 10.796 7.535 ( -2.360 0.444 10.968) 11.228 7.563 ( 10.457 -3.751 6.122) 12.685 7.795 ( 1.522 -2.019 14.561) 14.779 9.041 ( 17.979 6.880 -2.088) 19.363 9.919 ( -9.415 2.892 -5.213) 11.144 10.318 ( 6.093 -9.232 -11.764) 16.148 10.470 ( 0.074 -9.588 -6.915) 11.822 10.814 ( 8.642 10.274 3.958) 13.997 11.279 ( -5.498 9.086 1.700) 10.755 11.465 ( 6.730 5.698 -0.246) 8.822 12.087 ( -0.547 -2.723 -1.922) 3.378 12.369 ( -5.524 -0.244 -2.854) 6.223 12.417 ( -11.225 0.671 -4.214) 12.008 12.884 ( 0.726 -2.195 -2.974) 3.766 12.965 ( -1.463 -8.632 -2.497) 9.104 13.296 ( -3.066 5.832 21.249) 22.247 13.350 ( -2.014 3.052 6.514) 7.471 14.383 ( 2.301 -7.860 3.624) 8.956 14.650 ( -6.002 -11.061 0.389) 12.590 14.704 ( 13.626 13.953 -7.452) 20.878 15.901 ( -23.180 5.903 -15.067) 28.270 16.113 ( 30.374 1.769 9.589) 31.901 16.422 ( 6.245 -10.035 4.654) 12.702 16.634 ( 29.163 -3.407 10.420) 31.156 16.755 ( -3.506 -5.295 -2.012) 6.661 17.983 ( -20.059 1.149 5.472) 20.824 18.371 ( -19.088 -4.010 3.301) 19.782 19.576 ( 16.922 4.272 -1.135) 17.490 20.127 ( 5.135 -4.134 -9.435) 11.510 20.271 ( -5.958 2.991 -2.351) 7.069 20.325 ( -1.282 2.671 -3.368) 4.486 ======================= Grid point 76 (30/100) ======================= q-point: ( 0.44 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 12.226 -1.069 4.556) 13.091 2.022 ( 3.489 5.263 4.048) 7.500 2.128 ( -6.875 7.475 2.115) 10.374 2.207 ( -7.461 -5.961 5.419) 10.980 2.292 ( 10.799 -0.388 -0.268) 10.809 2.523 ( -5.806 -0.016 -2.386) 6.277 2.578 ( -2.809 1.077 -2.260) 3.763 2.616 ( -3.744 1.475 -2.148) 4.562 2.944 ( -0.019 -9.193 2.855) 9.626 2.989 ( -3.165 -8.123 1.747) 8.892 3.400 ( 2.916 -7.242 4.433) 8.977 3.485 ( -5.758 -8.235 2.008) 10.247 3.797 ( 2.143 15.140 2.077) 15.431 3.823 ( -0.859 12.709 1.597) 12.838 4.500 ( 11.274 9.466 -6.322) 16.022 4.629 ( -2.562 10.182 0.895) 10.537 4.919 ( 34.151 3.608 -9.841) 35.724 5.061 ( 16.162 5.432 -14.085) 22.115 5.337 ( -0.969 -1.219 -4.449) 4.714 5.434 ( -3.751 -3.945 -5.744) 7.914 5.585 ( -6.759 -0.640 -5.032) 8.451 5.689 ( -22.087 5.764 -7.200) 23.936 6.065 ( 9.381 -2.601 1.024) 9.788 6.164 ( 10.531 0.783 -1.985) 10.745 6.297 ( -11.335 0.785 0.688) 11.383 6.367 ( -7.291 -3.343 6.568) 10.367 6.754 ( 1.249 -7.563 -1.949) 7.909 6.900 ( -11.980 -6.068 1.789) 13.548 7.278 ( 10.355 3.956 9.623) 14.679 7.446 ( -6.486 1.534 10.969) 12.835 7.738 ( 6.316 -3.550 10.080) 12.414 7.808 ( -1.003 -2.897 12.662) 13.028 9.382 ( 16.313 7.148 -3.798) 18.211 9.682 ( -13.817 5.819 -4.163) 15.560 10.402 ( 3.054 -6.008 -10.129) 12.167 10.452 ( -1.943 -7.520 -9.818) 12.519 10.987 ( 8.621 9.669 4.167) 13.608 11.149 ( -7.515 9.148 3.813) 12.438 11.690 ( 14.620 -0.334 1.116) 14.666 11.979 ( -12.178 -5.160 0.960) 13.261 12.250 ( -1.755 4.212 -4.052) 6.103 12.285 ( -3.885 2.600 -3.290) 5.716 12.908 ( 1.388 -6.275 -3.631) 7.381 12.936 ( -1.431 -8.252 -3.178) 8.958 13.278 ( 0.842 4.224 14.890) 15.501 13.311 ( -2.032 3.608 10.010) 10.833 14.442 ( 3.759 -9.751 2.784) 10.815 14.533 ( -5.416 -10.855 1.613) 12.238 15.027 ( 18.657 12.970 -10.190) 24.902 15.436 ( -22.484 10.146 -12.525) 27.665 16.460 ( 6.787 -9.810 -0.649) 11.947 16.563 ( -2.548 -6.198 0.851) 6.755 16.904 ( 28.421 -0.942 10.478) 30.306 17.292 ( 32.072 -3.463 8.400) 33.334 17.499 ( -27.647 1.223 9.680) 29.318 17.901 ( -27.759 -3.836 6.804) 28.837 19.883 ( 13.677 3.935 -3.483) 14.652 20.113 ( -9.432 3.338 -3.503) 10.601 20.224 ( 3.858 -0.446 -8.398) 9.253 20.288 ( -2.533 1.468 -5.987) 6.665 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 0.000 22.524 10.980) 25.057 1.398 ( 0.000 22.595 10.586) 24.952 2.033 ( 0.000 -6.459 -7.095) 9.595 2.103 ( 0.000 -8.948 -2.003) 9.169 2.399 ( 0.000 -10.097 6.165) 11.830 2.489 ( 0.000 3.363 13.807) 14.210 2.608 ( 0.000 10.722 8.869) 13.915 2.889 ( 0.000 -3.644 -8.909) 9.625 2.918 ( 0.000 6.120 2.816) 6.737 3.269 ( 0.000 10.725 0.253) 10.728 3.498 ( 0.000 -1.427 -9.569) 9.675 3.715 ( 0.000 12.699 -5.886) 13.997 3.742 ( 0.000 -5.817 9.321) 10.988 3.950 ( 0.000 -5.961 -3.670) 7.000 4.104 ( 0.000 -6.852 -9.063) 11.361 4.105 ( 0.000 -4.134 -2.437) 4.799 4.306 ( 0.000 17.237 -2.804) 17.463 4.635 ( 0.000 15.543 -6.008) 16.664 4.902 ( 0.000 6.627 6.108) 9.012 5.250 ( 0.000 -11.501 -5.822) 12.890 5.278 ( 0.000 -0.068 9.208) 9.208 5.497 ( 0.000 6.065 15.839) 16.961 5.889 ( 0.000 -19.038 14.111) 23.698 6.310 ( 0.000 -18.537 1.059) 18.567 6.547 ( 0.000 6.436 -2.618) 6.948 6.813 ( 0.000 -2.222 -1.512) 2.687 7.005 ( 0.000 2.957 0.170) 2.962 7.093 ( 0.000 3.327 -9.844) 10.391 7.367 ( 0.000 5.341 -7.188) 8.956 7.510 ( 0.000 1.833 -1.882) 2.627 7.638 ( 0.000 -7.058 -4.088) 8.156 7.676 ( 0.000 -4.304 -9.483) 10.414 8.385 ( 0.000 4.029 13.190) 13.792 8.600 ( 0.000 -5.086 8.296) 9.731 10.293 ( 0.000 1.481 -0.703) 1.639 10.415 ( 0.000 -4.265 1.222) 4.437 10.854 ( 0.000 19.326 2.118) 19.442 11.599 ( 0.000 -9.063 -9.208) 12.920 11.673 ( 0.000 10.826 1.236) 10.897 12.051 ( 0.000 -2.086 -3.490) 4.066 12.617 ( 0.000 0.865 -6.513) 6.570 12.660 ( 0.000 -4.590 -7.095) 8.450 12.799 ( 0.000 -8.257 -1.349) 8.366 12.801 ( 0.000 -5.826 -5.552) 8.047 13.631 ( 0.000 12.799 2.505) 13.042 14.181 ( 0.000 -10.875 3.450) 11.410 14.257 ( 0.000 3.746 14.023) 14.515 14.540 ( 0.000 -6.350 2.890) 6.977 14.728 ( 0.000 22.118 0.634) 22.127 14.974 ( 0.000 5.468 10.146) 11.525 15.295 ( 0.000 -4.365 13.630) 14.311 15.830 ( 0.000 -22.070 2.297) 22.190 17.707 ( 0.000 4.415 -17.634) 18.179 17.761 ( 0.000 1.933 -29.517) 29.580 17.881 ( 0.000 4.222 -26.456) 26.791 17.927 ( 0.000 -1.565 -9.114) 9.248 19.096 ( 0.000 5.664 26.111) 26.719 19.515 ( 0.000 -15.618 29.969) 33.795 20.434 ( 0.000 3.765 0.861) 3.862 20.476 ( 0.000 1.635 1.161) 2.005 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 7.232 20.031 5.298) 21.946 1.488 ( 8.226 20.114 11.402) 24.541 2.100 ( 2.729 -10.144 -7.015) 12.632 2.144 ( 5.596 -8.246 0.168) 9.967 2.380 ( -0.468 -7.962 7.176) 10.729 2.545 ( 5.358 -2.480 8.882) 10.665 2.732 ( 5.370 4.219 -0.180) 6.831 2.870 ( -2.155 -3.649 -6.066) 7.400 2.956 ( 8.941 14.309 10.146) 19.688 3.245 ( -2.061 9.851 0.534) 10.079 3.455 ( -4.747 1.662 -12.177) 13.175 3.593 ( -8.817 11.493 -4.267) 15.101 3.701 ( -8.880 -3.251 0.453) 9.467 3.924 ( -1.962 -0.872 -2.081) 2.990 3.994 ( 2.975 -0.058 10.222) 10.646 4.150 ( 3.628 -3.655 -10.565) 11.753 4.561 ( 15.861 6.045 -1.267) 17.021 4.611 ( -0.831 15.132 -5.939) 16.277 4.919 ( 0.963 11.565 5.515) 12.849 5.253 ( 0.551 -9.316 -3.182) 9.860 5.326 ( 5.171 -4.471 5.914) 9.039 5.480 ( -0.605 4.823 12.034) 12.979 5.891 ( -0.671 -19.435 12.825) 23.295 6.224 ( -5.599 -14.045 -2.044) 15.257 6.561 ( 3.728 7.361 4.096) 9.212 6.866 ( 3.434 -5.121 -1.027) 6.250 7.063 ( 5.094 6.288 -4.726) 9.371 7.144 ( 2.090 2.985 -3.364) 4.959 7.198 ( -10.506 5.169 -6.434) 13.360 7.465 ( -12.001 -7.242 -9.590) 16.984 7.583 ( 2.909 2.897 3.119) 5.156 7.736 ( 1.073 -4.993 0.156) 5.109 8.512 ( 13.034 6.889 7.390) 16.491 8.950 ( 28.660 -14.708 -0.321) 32.215 10.276 ( -1.927 1.524 -0.873) 2.607 10.395 ( -1.775 -4.044 0.557) 4.452 10.883 ( 2.868 18.675 2.342) 19.039 11.570 ( -2.666 -7.070 -8.502) 11.375 11.658 ( -1.585 11.089 1.571) 11.311 12.049 ( -0.228 -2.672 -3.154) 4.140 12.547 ( -5.049 -0.140 -4.705) 6.903 12.654 ( -2.083 -2.031 -8.307) 8.801 12.778 ( -1.117 -9.925 -2.365) 10.264 12.811 ( -0.148 -6.240 -4.283) 7.570 13.615 ( -1.562 12.950 3.261) 13.445 14.048 ( -16.122 11.570 15.542) 25.206 14.179 ( -0.615 -10.743 4.298) 11.587 14.548 ( -1.467 -11.224 2.711) 11.640 14.745 ( 2.906 21.348 -1.867) 21.626 15.156 ( 16.908 5.726 10.954) 20.944 15.442 ( 14.382 -5.451 12.057) 19.544 15.864 ( 3.684 -20.588 3.125) 21.147 17.181 ( -28.657 4.333 -15.227) 32.739 17.269 ( -25.658 1.813 -13.909) 29.241 18.227 ( 14.966 3.737 -17.792) 23.548 18.415 ( 17.630 -4.132 -21.065) 27.778 19.140 ( 5.751 6.413 21.767) 23.409 19.575 ( 6.728 -15.156 20.763) 26.572 20.430 ( -0.470 3.576 0.398) 3.629 20.464 ( -1.297 1.856 0.607) 2.344 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 10.763 13.466 3.083) 17.512 1.685 ( 11.026 13.148 10.120) 19.921 2.089 ( -2.608 -8.517 -3.754) 9.666 2.240 ( 2.690 -8.430 1.933) 9.058 2.404 ( 1.809 -7.019 8.087) 10.860 2.646 ( 2.215 -9.619 0.945) 9.916 2.688 ( -5.839 1.812 -1.997) 6.431 2.801 ( -4.639 -3.407 -0.913) 5.828 3.104 ( -5.346 5.308 -5.583) 9.377 3.245 ( -2.921 8.866 -1.864) 9.519 3.321 ( -7.546 7.171 -4.166) 11.213 3.540 ( -4.762 -9.087 -1.291) 10.340 3.603 ( 19.530 21.511 5.441) 29.559 3.879 ( 2.027 1.520 -3.838) 4.599 4.194 ( 6.945 4.579 -6.678) 10.668 4.255 ( 11.956 6.860 5.637) 14.892 4.623 ( 4.946 7.238 0.525) 8.782 4.890 ( 15.238 5.141 -3.673) 16.496 4.929 ( 0.330 11.146 0.422) 11.158 5.276 ( 1.901 0.085 3.983) 4.414 5.472 ( 7.568 -15.186 -1.929) 17.077 5.538 ( 8.745 5.897 12.738) 16.538 5.869 ( -0.516 -15.901 9.053) 18.305 6.142 ( -3.026 -14.052 -3.782) 14.864 6.637 ( -2.911 8.871 -2.737) 9.730 6.839 ( -8.038 0.147 -6.486) 10.329 6.996 ( -2.608 3.606 -10.998) 11.865 7.107 ( -9.186 0.721 0.189) 9.217 7.207 ( 0.106 -2.410 8.636) 8.967 7.280 ( 4.136 -3.813 -5.952) 8.190 7.606 ( -1.090 2.168 7.313) 7.705 7.732 ( -0.142 -3.038 11.464) 11.861 8.856 ( 20.049 10.863 -0.063) 22.802 9.520 ( 26.001 -19.890 -8.672) 33.865 10.208 ( -4.923 2.178 -1.193) 5.514 10.358 ( -1.745 -4.308 -1.520) 4.890 10.965 ( 5.358 16.954 2.840) 18.006 11.513 ( -2.394 -2.748 -6.227) 7.215 11.610 ( -3.215 11.547 2.463) 12.237 12.039 ( -1.049 -4.315 -2.178) 4.946 12.448 ( -4.747 0.003 -3.574) 5.942 12.574 ( -5.688 -0.107 -7.510) 9.422 12.751 ( -1.679 -11.845 -2.601) 12.243 12.793 ( -1.574 -7.342 -4.091) 8.551 13.574 ( -2.372 13.030 4.872) 14.112 13.739 ( -13.376 17.517 17.005) 27.837 14.165 ( -0.721 -11.776 4.834) 12.750 14.467 ( -6.077 -15.694 2.811) 17.063 14.860 ( 8.563 21.128 -5.426) 23.434 15.590 ( 25.017 1.459 7.835) 26.256 15.799 ( 17.981 -9.612 5.698) 21.170 16.025 ( 16.115 -11.536 9.946) 22.175 16.645 ( -25.242 5.154 -11.287) 28.127 16.858 ( -16.340 -3.020 -8.048) 18.464 18.306 ( -6.504 3.472 -3.875) 8.329 18.520 ( -5.688 -5.642 -5.417) 9.671 19.365 ( 15.985 7.483 6.494) 18.806 19.778 ( 12.345 -11.668 1.408) 17.045 20.413 ( -1.534 2.966 -0.821) 3.439 20.424 ( -2.624 2.426 -0.797) 3.662 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 9.392 8.397 6.510) 14.181 1.922 ( 12.847 4.042 5.127) 14.411 2.051 ( 0.148 -4.388 0.600) 4.432 2.263 ( -0.463 -3.458 2.015) 4.028 2.401 ( -2.712 -5.551 5.989) 8.605 2.569 ( -4.682 -0.018 1.139) 4.819 2.626 ( -2.934 -6.195 -2.423) 7.270 2.680 ( -7.589 -2.384 -0.558) 7.974 2.967 ( -6.538 1.156 -2.860) 7.229 3.059 ( -11.408 6.152 -1.985) 13.112 3.200 ( -4.006 -4.789 1.362) 6.391 3.403 ( -8.370 -10.901 1.008) 13.781 4.022 ( 12.227 12.076 -5.550) 18.059 4.125 ( 14.857 24.657 1.281) 28.815 4.342 ( 18.722 1.664 -17.317) 25.557 4.556 ( 14.287 14.043 -0.670) 20.044 4.796 ( 11.316 5.818 4.967) 13.660 4.940 ( 2.275 1.738 -4.412) 5.260 5.164 ( 11.596 3.107 -2.210) 12.207 5.322 ( 2.445 3.733 4.555) 6.377 5.627 ( 7.907 -10.047 0.507) 12.796 5.758 ( 7.363 -3.894 5.058) 9.745 5.905 ( 7.124 -6.625 8.665) 13.028 6.121 ( 2.142 -9.546 -3.640) 10.438 6.364 ( -18.435 3.531 -16.361) 24.900 6.536 ( -21.435 -3.874 -9.656) 23.827 6.864 ( -10.130 2.695 -1.114) 10.541 7.032 ( -8.901 -5.106 4.239) 11.103 7.203 ( 7.126 5.728 6.889) 11.448 7.461 ( 9.766 -5.678 6.212) 12.892 7.571 ( -1.768 3.222 11.530) 12.102 7.740 ( 0.407 -3.274 14.342) 14.717 9.253 ( 19.148 13.103 -3.919) 23.531 9.913 ( 11.021 -10.829 -10.653) 18.767 10.102 ( -3.390 -1.372 -2.610) 4.493 10.324 ( -1.774 -5.997 -4.263) 7.569 11.092 ( 7.327 14.970 3.185) 16.969 11.495 ( -1.229 5.996 -2.116) 6.476 11.546 ( -0.662 5.552 2.393) 6.082 11.994 ( -3.966 -6.654 -0.620) 7.771 12.362 ( -3.787 1.004 -4.243) 5.775 12.449 ( -6.267 2.560 -5.560) 8.760 12.714 ( -1.782 -12.513 -2.358) 12.857 12.753 ( -2.299 -9.790 -3.130) 10.532 13.525 ( -2.750 13.144 6.959) 15.124 13.548 ( -5.666 16.519 14.457) 22.672 14.156 ( 0.016 -13.383 4.892) 14.249 14.337 ( -6.401 -17.586 3.366) 19.015 15.074 ( 12.830 20.124 -7.517) 25.021 15.924 ( 5.484 -13.138 -8.608) 16.637 16.130 ( -4.624 6.214 -3.294) 8.417 16.321 ( 17.553 3.435 9.825) 20.407 16.511 ( 17.942 -7.912 7.257) 20.908 16.617 ( 2.389 -7.442 -0.353) 7.824 18.033 ( -19.786 3.686 5.278) 20.807 18.262 ( -19.143 -6.025 3.869) 20.438 19.699 ( 16.398 7.045 -2.090) 17.969 20.011 ( 10.610 -6.622 -6.488) 14.090 20.341 ( -5.313 3.233 -2.173) 6.588 20.379 ( -2.579 1.873 -2.911) 4.317 ======================= Grid point 85 (35/100) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 6.603 3.199 7.548) 10.527 2.075 ( -0.347 0.068 5.221) 5.233 2.147 ( 7.270 0.899 3.364) 8.061 2.279 ( 5.511 1.828 -0.094) 5.807 2.297 ( -5.856 1.198 3.159) 6.760 2.484 ( -9.820 -2.715 -1.937) 10.371 2.543 ( 0.553 -7.246 -0.718) 7.303 2.585 ( -2.433 -6.678 -1.241) 7.215 2.866 ( -3.119 1.601 2.507) 4.311 2.879 ( -5.225 2.942 1.573) 6.199 3.173 ( 1.382 -9.203 2.100) 9.540 3.251 ( -6.232 -10.815 2.204) 12.675 4.196 ( 4.967 18.268 -2.203) 19.059 4.228 ( 1.213 22.184 -2.549) 22.362 4.749 ( 7.482 11.667 -12.413) 18.606 4.773 ( 7.588 -2.109 -10.805) 13.371 4.974 ( 13.000 1.452 -7.596) 15.126 5.160 ( 8.650 6.510 -2.915) 11.211 5.288 ( 8.537 1.155 2.899) 9.089 5.438 ( 10.608 1.237 -6.629) 12.570 5.595 ( -11.197 1.893 -7.517) 13.618 5.803 ( -17.802 -1.223 -12.971) 22.060 5.929 ( 3.468 -4.175 1.796) 5.717 6.151 ( -13.889 -8.609 -0.305) 16.344 6.217 ( 14.408 0.436 4.660) 15.149 6.338 ( 10.925 -3.668 5.481) 12.761 6.621 ( -11.768 -2.759 1.111) 12.138 6.749 ( -16.559 -7.132 4.872) 18.676 7.379 ( 8.251 5.582 9.843) 14.004 7.505 ( -4.357 4.127 10.851) 12.400 7.638 ( 6.607 -5.555 10.061) 13.256 7.726 ( -2.266 -4.746 12.341) 13.415 9.594 ( 15.098 12.560 -5.029) 20.273 9.849 ( -10.515 9.568 -5.105) 15.105 10.193 ( 6.298 -12.914 -8.650) 16.770 10.280 ( -2.939 -8.866 -6.995) 11.669 11.246 ( 7.935 13.813 3.146) 16.238 11.395 ( -6.836 13.320 2.640) 15.202 11.659 ( 9.501 -3.352 0.159) 10.076 11.861 ( -9.448 -6.768 0.319) 11.626 12.316 ( -0.380 3.226 -4.698) 5.712 12.349 ( -3.521 3.762 -4.042) 6.549 12.693 ( -0.166 -12.769 -1.886) 12.909 12.710 ( -1.770 -11.941 -2.060) 12.246 13.479 ( -0.723 14.299 10.743) 17.900 13.491 ( -1.623 13.284 9.111) 16.190 14.172 ( 1.732 -15.441 4.517) 16.181 14.230 ( -4.210 -17.187 3.976) 18.137 15.362 ( 16.093 18.067 -8.945) 25.796 15.705 ( -18.156 14.543 -10.803) 25.648 16.163 ( 8.439 -17.226 -3.649) 19.526 16.349 ( -9.984 -13.461 -4.463) 17.344 16.942 ( 32.502 4.362 12.014) 34.925 17.193 ( 32.068 -5.771 9.751) 34.011 17.553 ( -27.995 4.039 9.424) 29.814 17.794 ( -27.519 -6.044 7.593) 29.180 19.990 ( 12.733 5.806 -4.057) 14.570 20.184 ( 3.151 -0.421 -6.280) 7.039 20.209 ( -4.451 2.178 -4.146) 6.461 20.309 ( -4.614 0.076 -5.083) 6.865 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 0.000 -16.154 0.841) 16.176 1.775 ( 0.000 16.154 0.841) 16.176 1.840 ( 0.000 -17.584 4.413) 18.129 1.840 ( 0.000 17.584 4.413) 18.129 2.297 ( 0.000 -4.530 5.285) 6.961 2.297 ( 0.000 4.530 5.285) 6.961 2.836 ( 0.000 -2.984 -5.445) 6.209 2.836 ( 0.000 2.984 -5.445) 6.209 3.291 ( 0.000 -19.470 5.340) 20.189 3.291 ( 0.000 19.470 5.340) 20.189 3.517 ( 0.000 -12.716 5.198) 13.737 3.517 ( 0.000 12.716 5.198) 13.737 3.926 ( 0.000 -2.676 -1.631) 3.134 3.926 ( 0.000 2.676 -1.631) 3.134 3.987 ( 0.000 -1.374 -5.425) 5.596 3.987 ( 0.000 1.374 -5.425) 5.596 4.691 ( 0.000 -17.621 -5.597) 18.489 4.691 ( 0.000 17.621 -5.597) 18.489 4.971 ( 0.000 -14.533 -4.777) 15.298 4.971 ( 0.000 14.533 -4.777) 15.298 5.508 ( 0.000 -15.943 14.686) 21.676 5.508 ( 0.000 15.943 14.686) 21.676 5.833 ( 0.000 -23.292 9.174) 25.033 5.833 ( 0.000 23.292 9.174) 25.033 6.702 ( 0.000 -6.761 0.225) 6.765 6.702 ( 0.000 6.761 0.225) 6.765 7.099 ( 0.000 -3.236 -6.277) 7.062 7.099 ( 0.000 3.236 -6.277) 7.062 7.479 ( 0.000 -5.199 -6.876) 8.620 7.479 ( 0.000 5.199 -6.876) 8.620 7.589 ( 0.000 -3.232 -5.926) 6.750 7.589 ( 0.000 3.232 -5.926) 6.750 8.487 ( 0.000 -5.377 10.367) 11.678 8.487 ( 0.000 5.377 10.367) 11.678 10.339 ( 0.000 -2.913 0.191) 2.919 10.339 ( 0.000 2.913 0.191) 2.919 11.275 ( 0.000 -19.416 -0.361) 19.419 11.275 ( 0.000 19.416 -0.361) 19.419 11.907 ( 0.000 -10.370 -0.748) 10.397 11.907 ( 0.000 10.370 -0.748) 10.397 12.662 ( 0.000 -2.400 -2.579) 3.523 12.662 ( 0.000 2.400 -2.579) 3.523 12.684 ( 0.000 -3.030 -9.224) 9.709 12.684 ( 0.000 3.030 -9.224) 9.709 13.918 ( 0.000 -13.668 2.811) 13.954 13.918 ( 0.000 13.668 2.811) 13.954 14.391 ( 0.000 -7.500 6.075) 9.651 14.391 ( 0.000 7.500 6.075) 9.651 15.061 ( 0.000 -0.878 5.271) 5.343 15.061 ( 0.000 0.878 5.271) 5.343 15.357 ( 0.000 -18.399 8.406) 20.229 15.357 ( 0.000 18.399 8.406) 20.229 17.770 ( 0.000 -1.543 -20.340) 20.399 17.770 ( 0.000 1.543 -20.340) 20.399 17.911 ( 0.000 -0.008 -20.301) 20.301 17.911 ( 0.000 0.008 -20.301) 20.301 19.256 ( 0.000 -9.645 27.518) 29.159 19.256 ( 0.000 9.645 27.518) 29.159 20.486 ( 0.000 -0.952 0.932) 1.332 20.486 ( 0.000 0.952 0.932) 1.332 ======================= Grid point 92 (37/100) ======================= q-point: ( 0.11 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 2.339 -13.180 -0.438) 13.393 1.815 ( 2.339 13.180 -0.438) 13.393 1.903 ( 5.864 -14.714 3.901) 16.313 1.903 ( 5.864 14.714 3.901) 16.313 2.334 ( 3.670 -7.111 6.146) 10.090 2.334 ( 3.670 7.111 6.146) 10.090 2.812 ( -2.499 -2.435 -4.975) 6.077 2.812 ( -2.499 2.435 -4.975) 6.077 3.324 ( 1.728 -12.718 -2.045) 12.997 3.324 ( 1.728 12.718 -2.045) 12.997 3.506 ( -1.393 -13.469 5.569) 14.642 3.506 ( -1.393 13.469 5.569) 14.642 3.826 ( -5.845 -8.640 0.751) 10.459 3.826 ( -5.845 8.640 0.751) 10.459 4.055 ( 7.206 -5.010 -1.899) 8.979 4.055 ( 7.206 5.010 -1.899) 8.979 4.795 ( 7.489 -14.053 -4.642) 16.587 4.795 ( 7.489 14.053 -4.642) 16.587 4.952 ( -0.139 -15.577 -4.604) 16.244 4.952 ( -0.139 15.577 -4.604) 16.244 5.520 ( 1.104 -15.053 13.668) 20.362 5.520 ( 1.104 15.053 13.668) 20.362 5.799 ( -2.313 -22.008 5.764) 22.868 5.799 ( -2.313 22.008 5.764) 22.868 6.732 ( 4.063 -7.423 1.121) 8.536 6.732 ( 4.063 7.423 1.121) 8.536 7.164 ( 4.234 -2.146 -1.687) 5.038 7.164 ( 4.234 2.146 -1.687) 5.038 7.317 ( -12.740 -6.284 -11.198) 18.088 7.317 ( -12.740 6.284 -11.198) 18.088 7.644 ( 2.365 -3.458 1.194) 4.356 7.644 ( 2.365 3.458 1.194) 4.356 8.692 ( 18.933 -10.234 4.488) 21.985 8.692 ( 18.933 10.234 4.488) 21.985 10.322 ( -1.691 -2.862 -0.279) 3.336 10.322 ( -1.691 2.862 -0.279) 3.336 11.284 ( 0.885 -18.061 -0.181) 18.083 11.284 ( 0.885 18.061 -0.181) 18.083 11.897 ( -0.995 -10.666 -0.499) 10.724 11.897 ( -0.995 10.666 -0.499) 10.724 12.607 ( -4.006 -5.832 -5.490) 8.956 12.607 ( -4.006 5.832 -5.490) 8.956 12.690 ( -0.729 -4.479 -5.781) 7.350 12.690 ( -0.729 4.479 -5.781) 7.350 13.908 ( -1.075 -13.968 3.478) 14.434 13.908 ( -1.075 13.968 3.478) 14.434 14.307 ( -7.893 -11.912 6.635) 15.755 14.307 ( -7.893 11.912 6.635) 15.755 15.149 ( 7.765 -12.394 0.219) 14.627 15.149 ( 7.765 12.394 0.219) 14.627 15.459 ( 11.150 -13.090 12.251) 21.113 15.459 ( 11.150 13.090 12.251) 21.113 17.256 ( -27.641 -2.547 -15.025) 31.564 17.256 ( -27.641 2.547 -15.025) 31.564 18.319 ( 15.469 -4.756 -18.903) 24.884 18.319 ( 15.469 4.756 -18.903) 24.884 19.313 ( 6.920 -10.133 21.457) 24.718 19.313 ( 6.920 10.133 21.457) 24.718 20.478 ( -0.878 -0.758 0.473) 1.253 20.478 ( -0.878 0.758 0.473) 1.253 ======================= Grid point 94 (38/100) ======================= q-point: ( 0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 3.487 -9.381 -0.556) 10.024 1.867 ( 3.487 9.381 -0.556) 10.024 2.010 ( 4.475 -13.440 4.795) 14.955 2.010 ( 4.475 13.440 4.795) 14.955 2.409 ( 2.583 -9.099 5.817) 11.104 2.409 ( 2.583 9.099 5.817) 11.104 2.736 ( -5.042 -2.634 -1.968) 6.019 2.736 ( -5.042 2.634 -1.968) 6.019 3.252 ( -8.760 -7.103 -7.319) 13.445 3.252 ( -8.760 7.103 -7.319) 13.445 3.416 ( -8.425 -2.482 0.296) 8.788 3.416 ( -8.425 2.482 0.296) 8.788 3.902 ( 14.263 -2.613 -3.359) 14.885 3.902 ( 14.263 2.613 -3.359) 14.885 4.288 ( 15.905 -3.952 4.818) 17.082 4.288 ( 15.905 3.952 4.818) 17.082 4.837 ( -0.908 -10.987 -1.477) 11.123 4.837 ( -0.908 10.987 -1.477) 11.123 5.090 ( 11.533 -14.910 -4.028) 19.275 5.090 ( 11.533 14.910 -4.028) 19.275 5.555 ( 2.381 -14.384 11.314) 18.455 5.555 ( 2.381 14.384 11.314) 18.455 5.783 ( 1.605 -17.377 1.664) 17.530 5.783 ( 1.605 17.377 1.664) 17.530 6.792 ( -5.065 -5.001 -6.295) 9.502 6.792 ( -5.065 5.001 -6.295) 9.502 7.054 ( -8.395 -3.269 -3.640) 9.717 7.054 ( -8.395 3.269 -3.640) 9.717 7.227 ( 2.069 -2.659 0.082) 3.370 7.227 ( 2.069 2.659 0.082) 3.370 7.664 ( 0.052 -3.252 10.134) 10.643 7.664 ( 0.052 3.252 10.134) 10.643 9.140 ( 23.930 -16.003 -3.201) 28.965 9.140 ( 23.930 16.003 -3.201) 28.965 10.273 ( -3.208 -3.716 -1.616) 5.168 10.273 ( -3.208 3.716 -1.616) 5.168 11.313 ( 2.266 -14.618 0.288) 14.795 11.313 ( 2.266 14.618 0.288) 14.795 11.864 ( -2.474 -11.426 0.133) 11.691 11.864 ( -2.474 11.426 0.133) 11.691 12.524 ( -4.056 -7.109 -5.603) 9.919 12.524 ( -4.056 7.109 -5.603) 9.919 12.650 ( -3.269 -5.194 -4.199) 7.436 12.650 ( -3.269 5.194 -4.199) 7.436 13.877 ( -1.885 -14.656 4.783) 15.532 13.877 ( -1.885 14.656 4.783) 15.532 14.117 ( -10.113 -17.428 7.613) 21.539 14.117 ( -10.113 17.428 7.613) 21.539 15.321 ( 9.205 -21.359 -5.525) 23.906 15.321 ( 9.205 21.359 -5.525) 23.906 15.822 ( 24.838 -7.689 15.168) 30.101 15.822 ( 24.838 7.689 15.168) 30.101 16.765 ( -21.879 -5.570 -10.774) 25.016 16.765 ( -21.879 5.570 -10.774) 25.016 18.401 ( -6.302 -5.376 -4.353) 9.358 18.401 ( -6.302 5.376 -4.353) 9.358 19.550 ( 15.522 -9.904 4.565) 18.970 19.550 ( 15.522 9.904 4.565) 18.970 20.449 ( -2.117 -0.265 -0.763) 2.266 20.449 ( -2.117 0.265 -0.763) 2.266 ======================= Grid point 96 (39/100) ======================= q-point: ( 0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 6.914 -3.927 1.040) 8.019 1.970 ( 6.914 3.927 1.040) 8.019 2.088 ( 3.745 -12.176 5.814) 14.003 2.088 ( 3.745 12.176 5.814) 14.003 2.414 ( -1.892 -9.632 3.972) 10.589 2.414 ( -1.892 9.632 3.972) 10.589 2.618 ( -6.933 -2.823 -0.272) 7.491 2.618 ( -6.933 2.823 -0.272) 7.491 3.067 ( -7.923 -6.160 -4.271) 10.907 3.067 ( -7.923 6.160 -4.271) 10.907 3.223 ( -9.997 -6.406 2.368) 12.107 3.223 ( -9.997 6.406 2.368) 12.107 4.240 ( 16.897 -9.199 -15.354) 24.615 4.240 ( 16.897 9.199 -15.354) 24.615 4.636 ( 15.507 -17.965 1.191) 23.762 4.636 ( 15.507 17.965 1.191) 23.762 4.850 ( 4.797 -4.566 0.612) 6.651 4.850 ( 4.797 4.566 0.612) 6.651 5.313 ( 10.077 -13.161 -1.653) 16.658 5.313 ( 10.077 13.161 -1.653) 16.658 5.588 ( 0.460 -14.058 6.847) 15.643 5.588 ( 0.460 14.058 6.847) 15.643 5.915 ( 12.519 -7.292 3.059) 14.807 5.915 ( 12.519 7.292 3.059) 14.807 6.453 ( -23.140 -4.124 -15.306) 28.049 6.453 ( -23.140 4.124 -15.306) 28.049 6.931 ( -10.311 -3.925 2.980) 11.428 6.931 ( -10.311 3.925 2.980) 11.428 7.333 ( 8.729 -6.320 6.654) 12.666 7.333 ( 8.729 6.320 6.654) 12.666 7.658 ( -0.837 -4.404 13.341) 14.074 7.658 ( -0.837 4.404 13.341) 14.074 9.575 ( 19.145 -16.959 -6.517) 26.393 9.575 ( 19.145 16.959 -6.517) 26.393 10.194 ( -4.815 -6.228 -3.555) 8.638 10.194 ( -4.815 6.228 -3.555) 8.638 11.383 ( 5.044 -11.218 0.784) 12.325 11.383 ( 5.044 11.218 0.784) 12.325 11.793 ( -4.840 -12.021 0.769) 12.982 11.793 ( -4.840 12.021 0.769) 12.982 12.457 ( -2.403 -7.521 -4.784) 9.232 12.457 ( -2.403 7.521 -4.784) 9.232 12.569 ( -4.564 -6.140 -2.821) 8.154 12.569 ( -4.564 6.140 -2.821) 8.154 13.839 ( -1.724 -15.467 5.809) 16.612 13.839 ( -1.724 15.467 5.809) 16.612 13.942 ( -7.055 -19.108 7.871) 21.837 13.942 ( -7.055 19.108 7.871) 21.837 15.520 ( 11.028 -21.538 -6.725) 25.115 15.520 ( 11.028 21.538 -6.725) 25.115 16.320 ( 0.135 -9.685 -1.132) 9.752 16.320 ( 0.135 9.685 -1.132) 9.752 16.454 ( 14.254 -7.613 5.981) 17.231 16.454 ( 14.254 7.613 5.981) 17.231 18.134 ( -19.393 -5.735 4.638) 20.748 18.134 ( -19.393 5.735 4.638) 20.748 19.858 ( 14.534 -7.727 -3.812) 16.896 19.858 ( 14.534 7.727 -3.812) 16.896 20.389 ( -4.074 -1.048 -2.450) 4.868 20.389 ( -4.074 1.048 -2.450) 4.868 ======================= Grid point 98 (40/100) ======================= q-point: ( 0.44 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 6.326 -3.030 3.937) 8.044 2.115 ( 6.326 3.030 3.937) 8.044 2.160 ( 2.468 -8.036 6.597) 10.685 2.160 ( 2.468 8.036 6.597) 10.686 2.368 ( -0.619 -8.543 0.516) 8.581 2.368 ( -0.619 8.543 0.516) 8.581 2.462 ( -8.200 -1.091 -1.821) 8.470 2.462 ( -8.200 1.091 -1.821) 8.470 2.985 ( -0.102 -6.494 0.795) 6.543 2.985 ( -0.102 6.494 0.795) 6.543 3.053 ( -6.496 -7.089 2.934) 10.053 3.053 ( -6.496 7.089 2.934) 10.053 4.522 ( 11.379 -9.498 -11.990) 19.065 4.522 ( 11.379 9.498 -11.990) 19.065 4.690 ( -5.252 -11.879 -5.739) 14.199 4.690 ( -5.252 11.879 -5.739) 14.199 5.165 ( 19.457 -14.013 -6.180) 24.762 5.165 ( 19.457 14.013 -6.180) 24.762 5.412 ( -3.561 -8.693 -3.079) 9.886 5.412 ( -3.561 8.693 -3.079) 9.886 5.645 ( 9.293 -3.980 1.314) 10.194 5.645 ( 9.293 3.980 1.314) 10.194 5.981 ( -22.715 -5.755 -10.078) 25.508 5.981 ( -22.715 5.755 -10.078) 25.508 6.249 ( 19.611 -3.051 6.073) 20.755 6.249 ( 19.611 3.051 6.073) 20.755 6.636 ( -18.296 -3.330 5.950) 19.525 6.636 ( -18.296 3.330 5.950) 19.525 7.505 ( 7.582 -6.108 9.590) 13.666 7.505 ( 7.582 6.108 9.590) 13.666 7.617 ( -3.640 -5.315 11.970) 13.593 7.617 ( -3.640 5.315 11.970) 13.593 9.885 ( 12.275 -14.159 -6.842) 19.949 9.885 ( 12.275 14.159 -6.842) 19.949 10.076 ( -7.414 -9.957 -5.546) 13.597 10.076 ( -7.414 9.957 -5.546) 13.597 11.513 ( 7.753 -10.223 1.005) 12.870 11.513 ( 7.753 10.223 1.005) 12.870 11.670 ( -7.474 -11.370 1.011) 13.644 11.670 ( -7.474 11.370 1.011) 13.644 12.439 ( 0.695 -7.382 -3.314) 8.122 12.439 ( 0.695 7.382 -3.314) 8.122 12.484 ( -3.641 -6.874 -2.333) 8.121 12.484 ( -3.641 6.874 -2.333) 8.121 13.818 ( -0.120 -16.375 6.566) 17.643 13.818 ( -0.120 16.375 6.566) 17.643 13.844 ( -2.909 -17.813 7.342) 19.485 13.844 ( -2.909 17.813 7.342) 19.485 15.759 ( 13.125 -18.878 -7.135) 24.074 15.759 ( 13.125 18.878 -7.135) 24.074 16.038 ( -15.046 -15.084 -7.648) 22.636 16.038 ( -15.046 15.084 -7.648) 22.636 17.061 ( 32.304 -6.403 11.151) 34.769 17.061 ( 32.304 6.403 11.151) 34.769 17.662 ( -27.686 -6.066 8.568) 29.609 17.662 ( -27.686 6.066 8.568) 29.609 20.108 ( 10.649 -5.044 -5.198) 12.878 20.108 ( 10.649 5.044 -5.198) 12.878 20.281 ( -6.949 -2.732 -4.167) 8.550 20.281 ( -6.949 2.732 -4.167) 8.550 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 0.000 0.000 26.530) 26.530 1.214 ( 0.000 0.000 26.659) 26.659 1.526 ( 0.000 0.000 11.776) 11.776 2.278 ( 0.000 0.000 37.856) 37.856 2.364 ( 0.000 0.000 -0.370) 0.370 2.649 ( 0.000 0.000 4.013) 4.013 2.800 ( 0.000 0.000 -1.793) 1.793 2.880 ( 0.000 0.000 -5.004) 5.004 2.922 ( 0.000 0.000 -22.266) 22.266 2.968 ( 0.000 0.000 15.345) 15.345 3.086 ( 0.000 0.000 -10.377) 10.377 3.484 ( 0.000 0.000 -11.681) 11.681 3.512 ( 0.000 0.000 -3.665) 3.665 4.060 ( 0.000 0.000 14.024) 14.024 4.086 ( 0.000 0.000 10.248) 10.248 4.165 ( 0.000 0.000 -2.428) 2.428 4.428 ( 0.000 0.000 13.043) 13.043 4.455 ( 0.000 0.000 1.922) 1.922 4.896 ( 0.000 0.000 15.823) 15.823 5.326 ( 0.000 0.000 -9.846) 9.846 5.531 ( 0.000 0.000 1.487) 1.487 5.654 ( 0.000 0.000 1.150) 1.150 5.889 ( 0.000 0.000 26.788) 26.788 6.505 ( 0.000 0.000 -15.723) 15.723 6.556 ( 0.000 0.000 -6.073) 6.073 6.807 ( 0.000 0.000 1.448) 1.448 7.019 ( 0.000 0.000 -12.931) 12.931 7.081 ( 0.000 0.000 -12.031) 12.031 7.184 ( 0.000 0.000 -2.347) 2.347 7.295 ( 0.000 0.000 -1.030) 1.030 7.493 ( 0.000 0.000 -12.912) 12.912 7.743 ( 0.000 0.000 -5.537) 5.537 8.780 ( 0.000 0.000 21.707) 21.707 8.913 ( 0.000 0.000 11.461) 11.461 10.220 ( 0.000 0.000 -3.081) 3.081 10.458 ( 0.000 0.000 4.869) 4.869 10.596 ( 0.000 0.000 -11.418) 11.418 10.876 ( 0.000 0.000 -2.122) 2.122 11.517 ( 0.000 0.000 7.267) 7.267 11.986 ( 0.000 0.000 -3.341) 3.341 12.415 ( 0.000 0.000 -10.784) 10.784 12.808 ( 0.000 0.000 -7.880) 7.880 12.833 ( 0.000 0.000 -6.879) 6.879 12.958 ( 0.000 0.000 -11.076) 11.076 13.535 ( 0.000 0.000 14.188) 14.188 14.258 ( 0.000 0.000 9.969) 9.969 14.563 ( 0.000 0.000 7.409) 7.409 14.690 ( 0.000 0.000 -1.164) 1.164 14.911 ( 0.000 0.000 0.834) 0.834 15.131 ( 0.000 0.000 19.096) 19.096 15.745 ( 0.000 0.000 19.102) 19.102 16.278 ( 0.000 0.000 -7.657) 7.657 16.836 ( 0.000 0.000 -4.207) 4.207 17.149 ( 0.000 0.000 -22.992) 22.992 17.528 ( 0.000 0.000 -11.178) 11.178 17.784 ( 0.000 0.000 -12.382) 12.382 19.462 ( 0.000 0.000 20.556) 20.556 20.324 ( 0.000 0.000 1.504) 1.504 20.360 ( 0.000 0.000 -1.739) 1.739 20.486 ( 0.000 0.000 -0.543) 0.543 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 10.100 0.000 22.627) 24.779 1.332 ( 10.438 0.000 23.904) 26.084 1.779 ( 21.837 0.000 6.569) 22.804 2.392 ( 2.655 0.000 -0.731) 2.753 2.437 ( 11.023 0.000 18.673) 21.684 2.633 ( 2.930 0.000 10.583) 10.981 2.696 ( -11.399 0.000 -9.409) 14.780 2.799 ( -0.741 0.000 -1.180) 1.394 2.923 ( -2.731 0.000 11.098) 11.429 3.039 ( 3.295 0.000 -12.599) 13.022 3.177 ( 7.194 0.000 -2.810) 7.724 3.515 ( 2.467 0.000 -10.229) 10.522 3.529 ( 2.668 0.000 -3.019) 4.029 3.740 ( -14.146 0.000 12.693) 19.006 4.094 ( -6.862 0.000 -1.991) 7.145 4.276 ( -12.772 0.000 2.833) 13.082 4.307 ( 7.096 0.000 4.933) 8.642 4.534 ( 10.323 0.000 17.310) 20.154 5.046 ( 10.569 0.000 14.271) 17.759 5.348 ( -11.001 0.000 4.967) 12.071 5.358 ( 3.256 0.000 -7.857) 8.505 5.673 ( 2.019 0.000 -0.515) 2.084 6.149 ( 16.613 0.000 15.008) 22.389 6.523 ( -5.578 0.000 -5.150) 7.591 6.533 ( 4.053 0.000 -11.222) 11.932 6.732 ( -20.173 0.000 -12.902) 23.946 6.840 ( 0.612 0.000 -0.375) 0.718 6.936 ( -3.857 0.000 -4.885) 6.224 7.278 ( 4.077 0.000 -7.801) 8.802 7.422 ( -5.337 0.000 -4.573) 7.028 7.493 ( 11.761 0.000 0.230) 11.763 7.871 ( 10.081 0.000 -2.314) 10.343 8.664 ( -1.453 0.000 18.338) 18.395 9.323 ( 26.302 0.000 -2.611) 26.432 10.200 ( -2.245 0.000 -3.809) 4.421 10.506 ( 4.701 0.000 5.215) 7.021 10.536 ( -5.381 0.000 -11.552) 12.744 10.921 ( 4.493 0.000 -1.758) 4.824 11.511 ( -0.658 0.000 7.818) 7.846 11.984 ( -0.127 0.000 -3.893) 3.895 12.390 ( -2.361 0.000 -10.341) 10.607 12.765 ( -4.333 0.000 -7.057) 8.281 12.828 ( -0.397 0.000 -5.898) 5.911 12.957 ( -0.192 0.000 -10.478) 10.480 13.538 ( 0.288 0.000 13.942) 13.945 14.216 ( -2.697 0.000 6.553) 7.086 14.376 ( -23.058 0.000 15.592) 27.835 14.567 ( 0.102 0.000 7.230) 7.231 14.910 ( -1.868 0.000 -3.684) 4.131 15.334 ( 18.812 0.000 19.833) 27.336 15.899 ( 15.242 0.000 18.708) 24.131 16.207 ( -8.498 0.000 -13.723) 16.141 16.770 ( -8.243 0.000 -6.142) 10.280 16.929 ( -8.832 0.000 -7.331) 11.478 17.818 ( 18.390 0.000 -16.080) 24.429 18.071 ( 22.234 0.000 -19.020) 29.260 19.439 ( -1.926 0.000 19.047) 19.144 20.302 ( -4.003 0.000 0.757) 4.074 20.339 ( -2.097 0.000 -2.182) 3.027 20.341 ( -10.760 0.000 0.913) 10.799 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 15.114 0.000 14.457) 20.915 1.580 ( 14.025 0.000 17.147) 22.152 2.197 ( 14.855 0.000 0.539) 14.864 2.431 ( -6.998 0.000 -0.388) 7.008 2.459 ( -3.209 0.000 -2.418) 4.018 2.471 ( -2.907 0.000 -6.710) 7.313 2.717 ( -3.631 0.000 -2.551) 4.437 2.832 ( -3.020 0.000 6.110) 6.816 3.007 ( -3.264 0.000 1.152) 3.462 3.032 ( 20.661 0.000 13.866) 24.883 3.366 ( 12.654 0.000 4.769) 13.523 3.560 ( 1.051 0.000 -5.610) 5.707 3.611 ( 4.815 0.000 1.868) 5.164 3.623 ( 3.232 0.000 0.933) 3.363 3.929 ( -8.575 0.000 -2.022) 8.810 4.048 ( -8.997 0.000 -2.428) 9.319 4.424 ( 5.653 0.000 0.168) 5.655 4.736 ( 6.732 0.000 18.756) 19.927 5.214 ( -0.474 0.000 1.288) 1.373 5.248 ( 9.665 0.000 11.555) 15.064 5.458 ( 7.027 0.000 -0.272) 7.032 5.736 ( 4.172 0.000 -4.758) 6.328 6.199 ( -17.141 0.000 -19.735) 26.140 6.326 ( -14.226 0.000 -7.092) 15.896 6.415 ( -5.209 0.000 -5.808) 7.801 6.779 ( 19.235 0.000 11.136) 22.226 6.786 ( -2.029 0.000 4.035) 4.516 6.888 ( -6.768 0.000 -8.922) 11.198 7.287 ( -3.160 0.000 -8.664) 9.222 7.479 ( 12.002 0.000 6.655) 13.724 7.678 ( 6.446 0.000 4.466) 7.842 8.046 ( 6.693 0.000 9.071) 11.273 8.734 ( 7.892 0.000 8.343) 11.484 9.757 ( 14.578 0.000 -10.167) 17.773 10.125 ( -4.573 0.000 -7.985) 9.202 10.423 ( -5.046 0.000 -11.359) 12.429 10.636 ( 8.191 0.000 6.075) 10.198 11.049 ( 8.085 0.000 -1.080) 8.157 11.493 ( -0.892 0.000 9.243) 9.286 11.985 ( 0.423 0.000 -5.302) 5.319 12.326 ( -4.013 0.000 -9.431) 10.249 12.632 ( -9.233 0.000 -4.715) 10.367 12.824 ( 0.155 0.000 -4.035) 4.038 12.950 ( -0.513 0.000 -9.178) 9.193 13.546 ( 0.531 0.000 13.816) 13.826 13.972 ( -16.068 0.000 24.438) 29.247 14.208 ( 2.687 0.000 -0.595) 2.752 14.572 ( 0.371 0.000 6.225) 6.236 14.844 ( -4.372 0.000 -3.743) 5.755 15.807 ( 26.770 0.000 18.279) 32.416 15.902 ( -20.389 0.000 -21.325) 29.504 16.323 ( 26.699 0.000 17.595) 31.976 16.638 ( -2.390 0.000 2.352) 3.353 16.843 ( -2.623 0.000 -1.929) 3.256 18.097 ( 7.680 0.000 -10.574) 13.069 18.437 ( 11.544 0.000 -14.801) 18.770 19.420 ( 1.283 0.000 12.361) 12.428 20.062 ( -11.648 0.000 -2.259) 11.865 20.266 ( -3.070 0.000 -2.186) 3.769 20.274 ( -4.552 0.000 -3.387) 5.674 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 13.419 0.000 5.484) 14.496 1.872 ( 15.050 0.000 9.746) 17.930 2.160 ( -10.788 0.000 -0.134) 10.789 2.308 ( -4.180 0.000 2.359) 4.799 2.404 ( -2.044 0.000 -3.938) 4.436 2.495 ( 0.187 0.000 -2.970) 2.976 2.626 ( -4.853 0.000 -4.101) 6.354 2.720 ( -7.404 0.000 8.769) 11.477 3.064 ( 7.646 0.000 5.881) 9.646 3.343 ( 9.946 0.000 0.484) 9.958 3.503 ( -5.417 0.000 2.930) 6.159 3.534 ( 1.260 0.000 8.816) 8.906 3.706 ( -4.000 0.000 3.215) 5.132 3.833 ( 0.188 0.000 -0.705) 0.730 3.864 ( 18.825 0.000 -10.275) 21.447 4.076 ( 20.981 0.000 -7.593) 22.313 4.532 ( 5.087 0.000 -1.823) 5.403 4.745 ( -3.684 0.000 10.745) 11.359 5.275 ( -1.861 0.000 -5.586) 5.888 5.420 ( 7.410 0.000 3.688) 8.277 5.608 ( 5.447 0.000 7.224) 9.048 5.838 ( 1.938 0.000 -11.789) 11.947 5.850 ( -9.106 0.000 -16.973) 19.261 5.967 ( -15.494 0.000 -7.817) 17.354 6.331 ( -5.653 0.000 -7.389) 9.303 6.700 ( -7.727 0.000 1.863) 7.949 6.820 ( 1.586 0.000 2.308) 2.801 7.163 ( -8.521 0.000 -3.440) 9.189 7.165 ( 18.246 0.000 14.291) 23.177 7.741 ( -0.086 0.000 8.432) 8.432 7.768 ( 14.733 0.000 8.826) 17.174 8.133 ( 2.229 0.000 14.608) 14.777 8.946 ( 12.822 0.000 -0.158) 12.823 9.782 ( -10.071 0.000 -4.906) 11.202 10.137 ( 5.190 0.000 -14.366) 15.275 10.347 ( -2.975 0.000 -10.832) 11.233 10.816 ( 9.576 0.000 6.949) 11.832 11.188 ( 3.406 0.000 1.140) 3.592 11.522 ( 6.171 0.000 8.820) 10.765 12.008 ( 2.018 0.000 -6.769) 7.063 12.239 ( -4.625 0.000 -8.342) 9.539 12.400 ( -13.979 0.000 -1.629) 14.073 12.838 ( 1.223 0.000 -3.878) 4.066 12.935 ( -1.063 0.000 -7.644) 7.717 13.560 ( 0.841 0.000 14.600) 14.624 13.739 ( -8.046 0.000 23.388) 24.733 14.336 ( 10.268 0.000 -7.893) 12.951 14.583 ( 0.890 0.000 4.635) 4.720 14.751 ( -4.683 0.000 -2.110) 5.136 15.442 ( -23.764 0.000 -21.368) 31.958 16.346 ( 22.525 0.000 11.511) 25.295 16.663 ( 3.902 0.000 5.440) 6.695 16.824 ( 4.060 0.000 3.710) 5.499 16.917 ( 32.132 0.000 15.920) 35.859 18.070 ( -10.477 0.000 2.581) 10.790 18.463 ( -9.193 0.000 0.197) 9.195 19.526 ( 9.288 0.000 0.941) 9.336 19.931 ( -1.172 0.000 -11.336) 11.397 20.156 ( -7.482 0.000 -4.960) 8.977 20.192 ( -4.414 0.000 -6.123) 7.549 ======================= Grid point 130 (45/100) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 1.151 0.000 0.452) 1.237 2.012 ( -3.778 0.000 -2.329) 4.438 2.157 ( 13.124 0.000 3.899) 13.691 2.302 ( 5.954 0.000 5.667) 8.220 2.352 ( -5.269 0.000 -2.990) 6.059 2.442 ( -5.727 0.000 -0.032) 5.727 2.543 ( -2.394 0.000 -0.582) 2.464 2.577 ( -5.470 0.000 5.302) 7.618 3.221 ( 7.724 0.000 6.682) 10.213 3.371 ( -7.392 0.000 6.166) 9.626 3.457 ( 2.994 0.000 7.535) 8.108 3.523 ( -3.287 0.000 8.909) 9.496 3.662 ( 3.915 0.000 -4.350) 5.852 3.771 ( -5.235 0.000 -5.068) 7.286 4.296 ( 22.127 0.000 -8.153) 23.581 4.582 ( -4.454 0.000 3.915) 5.930 4.677 ( 33.501 0.000 -9.301) 34.768 4.701 ( 4.311 0.000 -6.356) 7.680 4.979 ( -21.017 0.000 -20.700) 29.499 5.318 ( -28.856 0.000 -13.278) 31.765 5.582 ( 3.515 0.000 0.102) 3.516 5.653 ( -2.458 0.000 1.012) 2.659 5.945 ( 12.038 0.000 -4.796) 12.959 6.175 ( 17.487 0.000 0.348) 17.490 6.175 ( -10.062 0.000 -5.662) 11.546 6.497 ( -13.597 0.000 1.106) 13.642 6.884 ( 4.437 0.000 4.863) 6.583 6.997 ( -7.266 0.000 2.664) 7.739 7.477 ( 12.972 0.000 13.425) 18.668 7.673 ( -6.738 0.000 11.473) 13.305 8.012 ( 9.291 0.000 11.861) 15.067 8.130 ( -2.789 0.000 14.228) 14.499 9.223 ( 14.789 0.000 -4.415) 15.434 9.520 ( -14.812 0.000 -5.585) 15.830 10.228 ( 3.694 0.000 -11.897) 12.457 10.291 ( -2.861 0.000 -10.845) 11.217 11.001 ( 8.799 0.000 7.203) 11.371 11.150 ( -5.760 0.000 5.885) 8.234 11.758 ( 15.816 0.000 4.315) 16.395 12.065 ( 3.653 0.000 -7.408) 8.259 12.090 ( -16.852 0.000 1.340) 16.905 12.147 ( -4.500 0.000 -7.635) 8.863 12.870 ( 1.871 0.000 -5.103) 5.435 12.907 ( -1.731 0.000 -6.320) 6.553 13.582 ( 1.546 0.000 16.777) 16.848 13.630 ( -3.555 0.000 20.065) 20.377 14.607 ( 16.808 0.000 -13.650) 21.653 14.611 ( 2.058 0.000 2.525) 3.257 14.668 ( -3.608 0.000 0.151) 3.611 14.989 ( -21.453 0.000 -17.972) 27.986 16.582 ( 5.412 0.000 0.918) 5.489 16.663 ( -3.045 0.000 0.086) 3.046 17.198 ( 27.506 0.000 16.576) 32.114 17.555 ( 31.250 0.000 13.657) 34.104 17.721 ( -23.406 0.000 12.227) 26.407 18.115 ( -24.275 0.000 9.746) 26.158 19.749 ( 12.139 0.000 -5.239) 13.222 19.977 ( -10.477 0.000 -6.121) 12.134 19.982 ( 5.027 0.000 -13.794) 14.682 20.092 ( -5.546 0.000 -10.544) 11.913 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 0.000 10.586 19.027) 21.774 1.342 ( 0.000 11.153 22.666) 25.262 1.908 ( 0.000 17.425 -1.893) 17.528 2.272 ( 0.000 -7.229 0.697) 7.263 2.474 ( 0.000 20.577 27.859) 34.634 2.646 ( 0.000 -3.747 2.688) 4.611 2.766 ( 0.000 -8.084 -14.600) 16.689 2.799 ( 0.000 -0.098 3.186) 3.188 2.838 ( 0.000 0.773 -3.470) 3.555 3.116 ( 0.000 10.268 13.115) 16.657 3.122 ( 0.000 4.404 -16.666) 17.238 3.421 ( 0.000 -5.930 -4.138) 7.231 3.734 ( 0.000 16.547 -10.587) 19.644 4.035 ( 0.000 -4.643 4.538) 6.493 4.079 ( 0.000 -2.890 5.793) 6.474 4.109 ( 0.000 -3.729 5.722) 6.830 4.314 ( 0.000 -2.077 8.779) 9.021 4.495 ( 0.000 4.120 10.262) 11.059 4.952 ( 0.000 6.556 15.399) 16.737 5.269 ( 0.000 -5.114 -8.785) 10.165 5.580 ( 0.000 -6.857 2.909) 7.448 5.842 ( 0.000 -3.377 22.670) 22.920 5.878 ( 0.000 23.212 -3.990) 23.553 6.412 ( 0.000 -10.571 -9.065) 13.926 6.629 ( 0.000 5.960 -5.180) 7.896 6.745 ( 0.000 -5.647 0.811) 5.705 6.908 ( 0.000 -8.367 -7.693) 11.366 7.062 ( 0.000 3.756 -13.009) 13.540 7.137 ( 0.000 -4.177 -0.191) 4.181 7.375 ( 0.000 3.106 -6.077) 6.825 7.466 ( 0.000 -2.226 -14.101) 14.276 7.687 ( 0.000 -5.310 -5.390) 7.566 8.751 ( 0.000 -1.768 22.007) 22.078 8.888 ( 0.000 -2.161 12.108) 12.299 10.230 ( 0.000 0.984 -2.879) 3.042 10.502 ( 0.000 -5.112 -5.298) 7.362 10.588 ( 0.000 11.747 4.550) 12.598 11.145 ( 0.000 17.446 -11.955) 21.149 11.574 ( 0.000 5.203 6.334) 8.197 11.978 ( 0.000 -0.439 -3.413) 3.441 12.417 ( 0.000 0.351 -10.609) 10.615 12.707 ( 0.000 -8.357 -8.043) 11.598 12.787 ( 0.000 -4.259 -7.035) 8.223 12.911 ( 0.000 -5.793 -7.939) 9.828 13.571 ( 0.000 4.656 12.612) 13.444 14.419 ( 0.000 14.174 8.693) 16.627 14.488 ( 0.000 -6.883 7.349) 10.069 14.661 ( 0.000 -2.703 -0.735) 2.801 14.702 ( 0.000 -13.643 9.387) 16.561 15.171 ( 0.000 3.480 18.609) 18.932 15.713 ( 0.000 -2.876 19.190) 19.404 16.185 ( 0.000 -9.176 -3.670) 9.883 17.001 ( 0.000 10.819 -15.696) 19.064 17.133 ( 0.000 -0.825 -25.717) 25.730 17.552 ( 0.000 2.063 -11.584) 11.766 17.768 ( 0.000 -1.455 -12.384) 12.469 19.480 ( 0.000 2.015 20.094) 20.195 20.217 ( 0.000 -12.524 3.694) 13.057 20.372 ( 0.000 3.985 1.612) 4.299 20.482 ( 0.000 0.935 2.259) 2.445 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.11 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 7.610 6.969 17.550) 20.359 1.468 ( 9.689 11.599 19.760) 24.877 2.096 ( 16.445 12.794 -3.448) 21.119 2.283 ( 1.259 -5.266 1.930) 5.748 2.515 ( -0.939 4.741 4.726) 6.760 2.654 ( 0.347 2.633 6.639) 7.151 2.724 ( 0.222 2.762 -2.591) 3.794 2.816 ( -1.459 4.269 -0.914) 4.603 2.833 ( 2.489 -4.767 -0.113) 5.379 3.131 ( 0.725 1.644 2.029) 2.711 3.165 ( 3.214 9.171 -0.124) 9.718 3.387 ( -1.313 -9.047 -2.391) 9.449 3.755 ( -4.617 9.809 -2.011) 11.027 3.843 ( -2.150 10.817 4.912) 12.073 4.023 ( -5.346 -4.273 -2.098) 7.158 4.094 ( -4.520 -7.989 -1.085) 9.243 4.439 ( 7.293 4.290 11.060) 13.925 4.591 ( 8.840 2.785 8.658) 12.684 4.952 ( 0.025 1.804 15.431) 15.536 5.295 ( 2.037 -4.041 -6.155) 7.640 5.594 ( -0.545 -4.603 -0.038) 4.636 5.615 ( -3.713 9.248 10.080) 14.175 6.170 ( 12.151 2.015 5.233) 13.382 6.380 ( -3.938 -10.428 -5.113) 12.264 6.617 ( -3.343 0.401 -1.315) 3.615 6.722 ( -10.288 1.863 -11.430) 15.491 6.865 ( 2.823 3.579 -4.154) 6.167 6.892 ( -2.243 -2.033 -6.161) 6.865 7.254 ( 6.141 -1.834 -3.650) 7.375 7.356 ( -6.164 -4.839 -7.911) 11.135 7.532 ( 8.350 1.817 -1.715) 8.716 7.827 ( 10.977 -4.036 -2.189) 11.898 8.683 ( -0.006 1.876 17.519) 17.619 9.214 ( 22.989 -8.654 2.136) 24.656 10.208 ( -2.483 0.838 -3.461) 4.341 10.459 ( -3.978 -4.587 -6.135) 8.632 10.633 ( 4.391 11.394 4.836) 13.133 11.153 ( 1.102 15.671 -10.013) 18.629 11.567 ( -0.743 5.118 6.764) 8.515 11.980 ( 0.185 -0.209 -3.847) 3.857 12.394 ( -2.225 0.503 -10.136) 10.390 12.657 ( -4.410 -8.285 -6.804) 11.593 12.798 ( 0.412 -3.953 -6.859) 7.928 12.906 ( -0.434 -5.811 -7.713) 9.667 13.568 ( -0.322 4.316 12.675) 13.394 14.344 ( -19.036 -0.988 15.801) 24.759 14.382 ( -2.962 13.273 5.605) 14.709 14.493 ( 0.229 -6.690 7.005) 9.689 14.788 ( 0.339 -9.146 -1.109) 9.220 15.370 ( 18.319 3.083 19.029) 26.593 15.855 ( 13.453 -4.094 17.707) 22.612 16.160 ( -2.978 -5.311 -6.894) 9.198 16.779 ( -16.970 -0.015 -12.976) 21.362 16.937 ( -9.752 1.102 -10.567) 14.421 17.836 ( 18.347 1.687 -16.176) 24.518 18.064 ( 21.738 -0.824 -18.755) 28.722 19.459 ( -1.707 2.175 18.463) 18.669 20.141 ( -7.310 -11.537 4.006) 14.233 20.356 ( -1.564 3.874 0.665) 4.231 20.428 ( -4.467 3.116 0.536) 5.473 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.22 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 13.126 4.013 12.630) 18.652 1.699 ( 13.377 9.313 13.932) 21.442 2.256 ( -2.497 -9.448 -0.705) 9.798 2.423 ( 3.556 0.106 -0.641) 3.615 2.456 ( 0.988 11.852 -5.884) 13.270 2.577 ( -3.352 5.229 -2.571) 6.722 2.719 ( -1.210 -2.774 0.343) 3.046 2.833 ( -4.473 4.477 0.138) 6.330 2.855 ( 2.345 -3.809 5.557) 7.134 3.085 ( -2.350 -5.497 -2.332) 6.417 3.363 ( 14.973 6.644 11.682) 20.119 3.449 ( 9.375 -3.099 2.165) 10.108 3.656 ( -1.035 -0.204 1.640) 1.950 3.840 ( -4.971 -1.927 -1.952) 5.678 3.938 ( -3.446 10.505 -2.032) 11.241 4.027 ( 1.824 6.148 -5.869) 8.694 4.553 ( 5.300 8.591 4.923) 11.231 4.800 ( 7.982 4.803 10.896) 14.335 4.965 ( 4.470 -7.833 7.935) 12.012 5.334 ( 2.889 0.077 -0.097) 2.892 5.622 ( 5.586 -0.930 0.716) 5.708 5.681 ( 5.623 5.007 4.245) 8.643 6.167 ( -16.978 -4.519 -15.362) 23.339 6.318 ( 0.856 -3.910 -1.898) 4.430 6.342 ( -13.993 -3.354 -6.884) 15.951 6.731 ( -3.942 -1.695 -2.461) 4.947 6.768 ( 1.150 -1.404 -3.595) 4.027 7.030 ( 6.467 10.942 3.964) 13.314 7.269 ( -2.395 -2.259 -6.815) 7.569 7.427 ( 13.233 -3.876 6.387) 15.196 7.679 ( 5.586 0.061 3.717) 6.710 8.017 ( 7.183 -2.600 8.851) 11.692 8.773 ( 8.659 3.758 7.485) 12.047 9.643 ( 17.871 -10.142 -8.166) 22.112 10.120 ( -6.237 0.287 -6.061) 8.701 10.370 ( -4.248 -3.725 -7.677) 9.532 10.754 ( 7.622 10.563 5.631) 14.190 11.201 ( 3.907 11.071 -5.681) 13.042 11.544 ( -1.338 4.714 7.828) 9.236 11.987 ( 0.588 0.078 -4.852) 4.889 12.334 ( -3.644 1.068 -9.231) 9.981 12.539 ( -7.639 -7.318 -4.685) 11.570 12.797 ( -0.263 -3.737 -5.689) 6.812 12.894 ( -0.798 -5.907 -6.997) 9.192 13.561 ( -0.251 3.391 12.926) 13.366 13.988 ( -15.028 2.215 22.427) 27.087 14.374 ( 2.050 12.818 0.179) 12.982 14.506 ( 1.304 -4.756 5.255) 7.207 14.743 ( -4.052 -8.703 -1.942) 9.794 15.815 ( 20.926 -0.616 11.951) 24.106 15.936 ( -9.942 2.935 -11.927) 15.803 16.282 ( 20.992 -2.996 13.998) 25.409 16.565 ( -0.628 -6.275 3.900) 7.414 16.788 ( -5.873 -4.728 -5.133) 9.121 18.112 ( 7.454 1.529 -10.388) 12.877 18.412 ( 10.558 -2.360 -13.907) 17.619 19.447 ( 1.746 2.723 11.500) 11.946 19.977 ( -7.315 -6.581 -0.738) 9.867 20.309 ( -3.171 3.635 -1.912) 5.189 20.329 ( -5.562 3.813 -2.316) 7.130 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 12.380 2.297 6.996) 14.404 1.979 ( 13.950 5.898 7.978) 17.118 2.160 ( -5.179 -1.759 0.115) 5.471 2.355 ( -6.304 0.437 -5.163) 8.160 2.389 ( -5.983 4.860 1.323) 7.821 2.559 ( -0.299 2.817 0.057) 2.833 2.658 ( -5.916 2.629 1.136) 6.573 2.728 ( -4.987 -0.216 5.278) 7.264 2.961 ( 6.118 -5.835 2.956) 8.956 3.067 ( -0.460 -11.847 -0.044) 11.856 3.471 ( 0.479 -9.974 3.537) 10.593 3.610 ( -5.167 -4.873 1.289) 7.218 3.764 ( 11.132 5.987 2.384) 12.863 3.851 ( -0.067 5.511 -1.031) 5.607 3.952 ( 14.457 10.104 -7.013) 18.981 4.168 ( 15.766 10.162 -7.494) 20.199 4.670 ( 5.914 11.058 1.324) 12.610 4.805 ( -2.874 5.253 5.531) 8.152 5.161 ( 8.410 -8.075 -3.052) 12.052 5.419 ( 3.042 0.151 5.296) 6.109 5.629 ( -15.999 1.258 -13.240) 20.805 5.761 ( 6.952 -6.760 -9.929) 13.878 5.963 ( -6.110 5.192 -0.716) 8.050 5.973 ( -6.797 3.677 -9.010) 11.871 6.382 ( 1.142 0.537 0.206) 1.279 6.620 ( -5.978 -7.804 3.561) 10.455 6.730 ( -1.830 -3.579 -2.421) 4.693 7.155 ( -8.601 -0.993 -2.003) 8.886 7.268 ( 14.059 7.851 13.242) 20.849 7.726 ( 11.404 -3.213 8.506) 14.586 7.741 ( 3.635 -0.146 8.719) 9.447 8.106 ( 1.997 -2.433 14.392) 14.732 9.000 ( 13.490 5.146 -1.185) 14.487 9.796 ( -5.638 0.595 -5.599) 7.968 10.060 ( 3.966 -6.288 -12.958) 14.939 10.299 ( -3.095 -3.864 -8.792) 10.090 10.922 ( 9.031 9.483 6.318) 14.539 11.282 ( 2.270 7.671 -0.701) 8.030 11.548 ( 3.717 2.381 7.197) 8.443 12.005 ( 1.103 -0.723 -5.444) 5.601 12.253 ( -4.610 1.639 -8.574) 9.872 12.353 ( -10.770 -3.904 -1.965) 11.623 12.797 ( 0.382 -4.508 -5.095) 6.814 12.874 ( -1.253 -6.074 -5.998) 8.627 13.563 ( 0.541 2.337 13.787) 13.994 13.760 ( -8.338 2.681 22.023) 23.701 14.442 ( 3.552 0.951 -0.027) 3.677 14.574 ( 6.862 6.846 -2.215) 9.943 14.651 ( -4.849 -8.953 -0.823) 10.215 15.533 ( -21.017 7.933 -19.959) 30.050 16.284 ( 14.292 -8.121 5.299) 17.271 16.581 ( 8.731 -4.961 7.390) 12.468 16.728 ( 6.818 -7.612 4.848) 11.311 16.915 ( 29.747 -1.159 16.030) 33.811 18.081 ( -10.597 1.212 2.719) 11.007 18.423 ( -9.520 -3.543 0.542) 10.173 19.562 ( 9.576 3.336 0.237) 10.143 19.912 ( 1.242 -1.640 -10.086) 10.294 20.199 ( -7.748 3.526 -4.585) 9.669 20.231 ( -4.733 3.228 -5.680) 8.067 ======================= Grid point 139 (50/100) ======================= q-point: ( 0.44 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 7.840 2.638 0.137) 8.273 2.088 ( 0.027 5.527 1.553) 5.741 2.170 ( -1.116 4.827 1.153) 5.087 2.229 ( -4.045 -3.825 -1.988) 5.911 2.355 ( 6.670 1.506 5.282) 8.640 2.534 ( -5.179 1.020 0.237) 5.284 2.575 ( -1.855 1.196 5.998) 6.391 2.607 ( -4.504 5.482 2.219) 7.434 3.030 ( 1.638 -10.972 5.921) 12.575 3.055 ( -0.865 -14.062 4.123) 14.680 3.475 ( 0.748 -11.735 1.459) 11.849 3.515 ( -3.481 -8.966 0.717) 9.645 3.834 ( 1.601 12.516 0.664) 12.635 3.871 ( -1.083 17.698 3.761) 18.126 4.314 ( 20.936 2.884 -11.703) 24.158 4.601 ( 6.933 -0.153 -5.575) 8.898 4.705 ( 8.521 3.931 -7.564) 12.053 4.848 ( 8.810 10.269 -5.913) 14.766 5.065 ( -14.586 7.702 -18.737) 24.963 5.296 ( -17.361 -2.302 -9.831) 20.084 5.484 ( -2.671 -8.485 -5.931) 10.691 5.531 ( -6.369 -2.638 -4.999) 8.515 6.110 ( 17.473 1.016 -2.302) 17.654 6.154 ( 9.992 5.696 5.549) 12.770 6.323 ( -6.311 7.124 1.861) 9.697 6.443 ( -13.148 -2.310 0.573) 13.362 6.787 ( 7.166 -8.074 5.573) 12.149 6.963 ( -9.894 -2.758 3.753) 10.936 7.520 ( 10.788 3.789 12.943) 17.270 7.684 ( -5.604 1.188 11.336) 12.701 7.974 ( 9.327 -3.469 12.007) 15.595 8.096 ( -3.157 -3.109 14.258) 14.931 9.284 ( 14.819 5.814 -5.341) 16.791 9.573 ( -13.916 4.931 -6.181) 16.005 10.164 ( 4.606 -6.012 -11.800) 14.021 10.239 ( -3.212 -4.672 -10.050) 11.539 11.098 ( 8.374 8.578 6.336) 13.559 11.241 ( -5.539 7.926 4.813) 10.801 11.730 ( 13.021 -2.347 2.505) 13.466 11.975 ( -8.079 -5.470 -2.240) 10.011 12.147 ( -2.538 3.159 -5.800) 7.075 12.189 ( -4.634 2.772 -4.428) 6.983 12.814 ( 1.330 -5.493 -5.178) 7.665 12.845 ( -1.609 -6.026 -5.371) 8.231 13.585 ( 1.820 1.859 15.945) 16.156 13.641 ( -4.063 2.137 19.085) 19.629 14.499 ( 2.681 -7.679 1.942) 8.362 14.563 ( -3.885 -8.951 0.813) 9.791 14.793 ( 14.555 13.655 -11.275) 22.922 15.130 ( -19.097 11.906 -16.387) 27.839 16.444 ( 5.488 -12.842 -0.811) 13.989 16.546 ( -4.844 -10.837 -2.003) 12.038 17.197 ( 28.794 0.661 17.036) 33.463 17.524 ( 29.377 -2.648 13.834) 32.579 17.734 ( -22.383 1.237 12.287) 25.564 18.078 ( -23.814 -3.385 9.840) 25.989 19.788 ( 12.167 3.484 -5.527) 13.810 19.991 ( 2.831 1.274 -11.172) 11.595 20.023 ( -7.258 3.268 -7.629) 11.025 20.123 ( -6.084 2.462 -9.836) 11.825 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 0.000 13.536 6.368) 14.959 1.609 ( 0.000 11.965 12.798) 17.520 1.977 ( 0.000 -4.198 2.899) 5.101 2.134 ( 0.000 -5.221 4.549) 6.925 2.421 ( 0.000 -10.242 -3.735) 10.902 2.717 ( 0.000 -9.528 5.950) 11.233 2.753 ( 0.000 1.511 -2.490) 2.912 2.762 ( 0.000 0.342 4.599) 4.612 3.058 ( 0.000 15.218 5.274) 16.106 3.220 ( 0.000 3.891 -17.264) 17.697 3.406 ( 0.000 14.859 14.818) 20.985 3.475 ( 0.000 17.486 -12.655) 21.585 3.830 ( 0.000 -8.254 -6.401) 10.445 3.951 ( 0.000 -5.150 0.286) 5.158 3.969 ( 0.000 -2.646 5.164) 5.802 4.132 ( 0.000 3.428 11.122) 11.638 4.460 ( 0.000 11.708 12.996) 17.492 4.570 ( 0.000 5.965 -0.324) 5.973 5.101 ( 0.000 -1.618 13.197) 13.296 5.117 ( 0.000 -9.142 -6.140) 11.012 5.470 ( 0.000 4.755 8.232) 9.507 5.804 ( 0.000 1.258 13.697) 13.754 6.083 ( 0.000 -17.163 -0.071) 17.164 6.216 ( 0.000 1.457 -2.107) 2.562 6.611 ( 0.000 -1.051 4.118) 4.250 6.751 ( 0.000 4.029 -4.247) 5.854 6.860 ( 0.000 1.904 -12.385) 12.531 7.019 ( 0.000 -5.923 -1.963) 6.239 7.172 ( 0.000 6.120 -9.799) 11.553 7.400 ( 0.000 -0.358 -8.383) 8.391 7.421 ( 0.000 -1.608 -14.183) 14.273 7.532 ( 0.000 -8.664 -5.715) 10.379 8.736 ( 0.000 0.527 19.996) 20.003 8.831 ( 0.000 -3.059 13.943) 14.275 10.263 ( 0.000 2.184 -2.442) 3.277 10.404 ( 0.000 -4.274 -2.931) 5.182 10.910 ( 0.000 17.620 3.222) 17.912 11.391 ( 0.000 3.038 -9.957) 10.411 11.721 ( 0.000 8.323 3.678) 9.099 11.978 ( 0.000 -0.136 -3.528) 3.530 12.440 ( 0.000 2.030 -10.188) 10.389 12.513 ( 0.000 -7.828 -7.188) 10.628 12.666 ( 0.000 -6.739 -7.182) 9.849 12.732 ( 0.000 -9.387 -5.241) 10.751 13.750 ( 0.000 11.677 9.225) 14.881 14.291 ( 0.000 -11.461 7.086) 13.474 14.508 ( 0.000 -3.859 9.303) 10.072 14.586 ( 0.000 -4.128 0.915) 4.228 14.802 ( 0.000 20.598 7.143) 21.802 15.253 ( 0.000 3.336 16.727) 17.056 15.636 ( 0.000 -3.971 19.297) 19.702 15.896 ( 0.000 -17.189 3.915) 17.630 17.141 ( 0.000 1.685 -28.975) 29.024 17.162 ( 0.000 3.941 -25.029) 25.337 17.605 ( 0.000 2.794 -12.376) 12.687 17.725 ( 0.000 -2.561 -12.413) 12.675 19.557 ( 0.000 5.370 18.938) 19.685 19.937 ( 0.000 -12.616 12.731) 17.923 20.461 ( 0.000 3.828 1.727) 4.200 20.511 ( 0.000 1.196 2.135) 2.448 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.11 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 3.199 11.630 7.268) 14.083 1.730 ( 8.041 11.829 10.576) 17.789 2.026 ( 3.204 -8.091 1.304) 8.799 2.203 ( 6.266 -5.938 4.496) 9.733 2.450 ( 3.660 -6.090 -0.849) 7.156 2.712 ( -3.911 0.165 1.813) 4.314 2.721 ( -2.384 0.722 -0.796) 2.615 2.769 ( 3.102 -8.111 2.768) 9.114 3.092 ( 0.799 5.719 0.483) 5.794 3.170 ( -4.165 6.854 -14.095) 16.217 3.357 ( -6.781 8.752 -3.975) 11.764 3.508 ( 7.165 22.303 10.578) 25.703 3.784 ( -7.224 -5.956 1.467) 9.477 3.871 ( -4.957 0.230 1.139) 5.092 3.955 ( 0.407 -3.877 -1.203) 4.079 4.221 ( 9.482 8.100 5.765) 13.739 4.520 ( 3.890 6.523 3.456) 8.344 4.645 ( 7.708 6.123 6.006) 11.532 5.076 ( -2.134 -0.468 6.929) 7.265 5.182 ( 5.264 -8.151 1.109) 9.766 5.481 ( 0.655 3.997 6.922) 8.020 5.736 ( -2.462 2.915 11.760) 12.363 6.047 ( -2.719 -15.491 0.612) 15.739 6.176 ( -4.202 -8.246 -0.627) 9.276 6.640 ( -0.501 3.883 -0.425) 3.938 6.778 ( -0.270 1.563 -8.171) 8.324 6.881 ( -9.480 1.237 -10.044) 13.867 6.975 ( 10.334 4.020 -7.527) 13.401 7.222 ( 6.251 -0.813 1.799) 6.555 7.259 ( -7.486 -3.077 -9.000) 12.104 7.553 ( 8.149 0.750 -4.708) 9.441 7.716 ( 13.085 -5.973 -2.865) 14.666 8.746 ( 3.579 4.137 15.236) 16.188 9.022 ( 15.818 -8.808 8.003) 19.795 10.238 ( -2.663 2.057 -2.995) 4.505 10.370 ( -3.284 -3.940 -3.635) 6.287 10.944 ( 3.327 16.883 3.439) 17.548 11.382 ( -0.668 3.392 -8.849) 9.501 11.712 ( -0.928 8.340 3.918) 9.261 11.979 ( 0.060 -0.498 -3.560) 3.595 12.420 ( -1.813 1.580 -8.505) 8.838 12.477 ( -3.339 -6.375 -7.694) 10.535 12.669 ( -0.039 -8.060 -6.692) 10.476 12.727 ( -0.496 -8.963 -5.011) 10.281 13.745 ( -0.543 11.796 9.484) 15.146 14.290 ( -0.630 -10.835 7.498) 13.192 14.347 ( -11.738 1.473 11.095) 16.218 14.594 ( -1.746 -8.009 1.296) 8.298 14.766 ( -1.700 20.349 4.438) 20.896 15.420 ( 14.001 -0.876 14.122) 19.905 15.746 ( 10.324 -4.777 16.379) 19.942 15.970 ( 8.572 -11.454 7.811) 16.300 16.801 ( -22.140 2.764 -20.120) 30.044 16.942 ( -15.949 -1.376 -16.694) 23.129 17.888 ( 18.510 3.162 -16.520) 25.010 18.029 ( 20.447 -2.576 -18.028) 27.381 19.538 ( -1.435 5.382 17.015) 17.903 19.893 ( -3.846 -11.200 10.703) 15.962 20.443 ( -1.813 3.681 0.875) 4.196 20.481 ( -2.896 1.770 1.050) 3.553 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 9.658 7.199 5.332) 13.173 1.898 ( 8.557 8.520 8.186) 14.589 2.069 ( 1.547 -7.469 3.186) 8.266 2.300 ( 2.878 -7.525 2.519) 8.441 2.550 ( 1.982 -2.227 4.722) 5.584 2.645 ( -0.640 0.146 -1.773) 1.891 2.660 ( -3.716 -0.545 -1.042) 3.898 2.792 ( -1.812 -4.850 2.241) 5.642 2.951 ( -9.722 2.970 -8.028) 12.953 3.205 ( 3.037 7.678 -3.239) 8.870 3.209 ( -5.820 -1.050 -4.183) 7.244 3.583 ( -8.932 -5.393 5.203) 11.659 3.756 ( 13.353 9.179 3.686) 16.618 3.797 ( -1.680 2.400 -3.234) 4.364 3.983 ( 3.735 9.438 -0.752) 10.178 4.436 ( 9.106 19.109 -0.356) 21.171 4.662 ( 11.111 -0.363 5.860) 12.567 4.813 ( 8.490 3.992 -0.452) 9.393 5.018 ( -3.163 3.646 8.128) 9.453 5.310 ( 8.419 -6.360 -0.954) 10.594 5.488 ( 0.117 0.048 2.602) 2.605 5.807 ( 7.396 1.493 10.882) 13.242 5.997 ( -5.883 -10.179 -0.108) 11.758 6.071 ( -0.999 -13.191 -0.685) 13.246 6.418 ( -17.822 5.949 -14.287) 23.604 6.652 ( -12.512 -4.425 -10.720) 17.060 6.833 ( 1.746 5.573 -5.951) 8.338 7.152 ( 2.968 -8.350 -0.886) 8.906 7.246 ( 6.672 7.704 7.558) 12.688 7.382 ( 11.275 -0.472 5.271) 12.456 7.700 ( 6.239 3.084 2.283) 7.324 7.941 ( 8.273 -4.706 7.390) 12.050 8.895 ( 11.240 7.931 5.031) 14.648 9.381 ( 18.756 -13.611 -3.195) 23.393 10.149 ( -6.413 2.368 -4.681) 8.285 10.290 ( -4.333 -3.805 -5.324) 7.848 11.037 ( 5.872 14.932 3.889) 16.510 11.380 ( 0.931 3.596 -6.032) 7.084 11.682 ( -2.200 8.228 4.449) 9.609 11.977 ( -0.364 -1.698 -3.617) 4.013 12.375 ( -3.016 -1.469 -3.773) 5.049 12.392 ( -4.703 -0.629 -9.407) 10.536 12.659 ( -0.889 -9.690 -5.556) 11.205 12.712 ( -1.061 -8.882 -4.331) 9.938 13.729 ( -1.003 11.842 10.164) 15.638 14.085 ( -12.362 7.042 15.396) 20.963 14.290 ( -0.624 -11.592 6.915) 13.512 14.519 ( -5.299 -11.529 1.703) 12.803 14.784 ( 3.985 21.153 -1.191) 21.558 15.667 ( 8.175 -14.791 0.372) 16.904 16.027 ( 15.740 5.732 11.348) 20.233 16.253 ( 14.691 -0.644 8.700) 17.086 16.437 ( -5.380 -3.194 -0.664) 6.291 16.660 ( -12.009 -7.186 -10.556) 17.530 18.163 ( 7.192 3.330 -10.296) 12.993 18.341 ( 8.747 -4.183 -12.202) 15.585 19.535 ( 2.299 5.473 9.453) 11.162 19.824 ( -1.761 -7.518 3.018) 8.291 20.389 ( -3.682 3.253 -1.458) 5.125 20.401 ( -5.087 2.637 -1.405) 5.900 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( 10.777 3.815 2.595) 11.723 2.030 ( 4.151 -0.130 3.761) 5.603 2.143 ( 7.145 1.156 7.056) 10.108 2.335 ( 0.322 -2.670 4.120) 4.920 2.481 ( -6.219 3.121 0.066) 6.958 2.585 ( -3.227 -2.798 2.623) 5.012 2.624 ( -6.103 -3.476 -1.169) 7.120 2.673 ( -5.286 -3.848 3.093) 7.233 2.873 ( 0.345 0.132 -4.096) 4.112 3.077 ( -6.629 6.341 3.078) 9.676 3.234 ( -1.615 -9.278 0.663) 9.441 3.420 ( -7.698 -8.705 1.905) 11.776 3.864 ( 11.347 2.517 -9.004) 14.702 3.979 ( 7.799 1.277 -13.617) 15.745 4.227 ( 19.957 19.525 5.200) 28.400 4.517 ( -0.772 20.299 -1.782) 20.392 4.864 ( 1.445 -4.761 -2.572) 5.601 4.926 ( 5.923 11.369 3.922) 13.406 5.052 ( 9.380 0.920 -4.634) 10.503 5.436 ( -1.776 2.544 4.394) 5.379 5.558 ( 6.259 -13.298 -7.108) 16.326 5.652 ( -14.116 1.241 -17.220) 22.301 6.007 ( -5.646 0.194 -8.392) 10.117 6.080 ( -4.796 2.272 -0.009) 5.306 6.234 ( 13.659 -9.364 11.753) 20.307 6.414 ( -8.214 -9.914 1.581) 12.971 6.805 ( -4.990 8.012 -2.405) 9.740 7.105 ( -7.532 -4.156 1.479) 8.729 7.426 ( 10.785 6.111 13.190) 18.101 7.636 ( 12.228 -4.858 9.085) 15.990 7.783 ( 2.125 4.725 8.679) 10.108 8.034 ( 1.410 -4.475 13.350) 14.150 9.165 ( 15.101 10.522 -3.756) 18.785 9.705 ( 12.432 -10.733 -8.447) 18.469 9.996 ( -8.087 2.202 -7.521) 11.261 10.203 ( -4.519 -5.134 -7.236) 9.956 11.170 ( 7.392 12.658 4.068) 15.212 11.431 ( 3.834 3.930 -3.258) 6.384 11.629 ( -2.508 6.176 4.652) 8.129 11.955 ( -2.551 -4.650 -3.308) 6.251 12.274 ( -5.177 -0.550 -5.086) 7.278 12.330 ( -2.845 4.447 -4.265) 6.787 12.640 ( -0.746 -10.652 -4.287) 11.507 12.687 ( -1.381 -9.782 -3.425) 10.456 13.711 ( -0.637 11.273 11.205) 15.907 13.879 ( -8.183 8.824 16.193) 20.175 14.276 ( -0.542 -11.996 6.270) 13.546 14.408 ( -5.400 -13.392 2.951) 14.738 14.922 ( 9.675 20.994 -6.353) 23.973 15.699 ( -7.212 2.009 -13.722) 15.631 16.018 ( -3.190 -10.075 -4.623) 11.535 16.418 ( -8.835 -12.318 -7.284) 16.819 16.658 ( 27.648 2.506 18.541) 33.384 16.856 ( 29.150 -4.246 17.002) 34.012 18.127 ( -10.692 3.277 2.661) 11.495 18.327 ( -10.093 -5.281 1.305) 11.465 19.657 ( 9.678 5.353 -1.493) 11.160 19.861 ( 5.434 -3.350 -7.188) 9.614 20.276 ( -7.476 3.280 -4.056) 9.116 20.298 ( -5.576 2.519 -4.847) 7.806 ======================= Grid point 148 (55/100) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 7.284 3.834 1.735) 8.413 2.117 ( 5.794 0.545 1.018) 5.908 2.275 ( -5.208 4.795 3.029) 7.700 2.293 ( 2.559 2.718 1.086) 3.888 2.353 ( -2.020 0.551 5.235) 5.638 2.470 ( -6.477 -5.592 2.311) 8.864 2.575 ( 0.979 -5.224 4.271) 6.818 2.613 ( -2.443 -5.658 3.620) 7.147 2.889 ( 1.501 0.207 1.337) 2.021 2.953 ( -5.128 4.335 4.659) 8.173 3.216 ( 0.881 -11.086 1.246) 11.190 3.281 ( -5.616 -10.346 0.987) 11.813 4.129 ( 9.214 10.104 -6.318) 15.063 4.155 ( 9.737 9.973 -4.430) 14.625 4.471 ( 0.308 7.856 -12.615) 14.864 4.582 ( 4.660 1.842 -5.999) 7.816 4.793 ( 4.790 4.710 -10.151) 12.173 5.054 ( -4.207 9.375 -8.245) 13.175 5.239 ( 4.017 2.887 -7.603) 9.070 5.284 ( 2.534 1.221 -10.305) 10.682 5.390 ( -7.186 4.498 -7.393) 11.248 5.517 ( -16.145 1.114 -13.418) 21.023 5.959 ( 9.069 -11.987 0.491) 15.039 6.118 ( -4.895 -14.920 -1.365) 15.761 6.362 ( 10.480 6.133 11.126) 16.469 6.575 ( 8.870 0.712 12.138) 15.051 6.643 ( -4.985 1.956 3.819) 6.577 6.894 ( -13.205 -3.909 7.109) 15.498 7.621 ( 8.343 5.462 12.653) 16.110 7.740 ( -3.004 4.302 11.327) 12.484 7.878 ( 8.341 -5.153 12.225) 15.671 8.006 ( -4.090 -5.328 13.972) 15.502 9.462 ( 14.352 10.802 -7.363) 19.413 9.717 ( -10.467 8.190 -7.426) 15.224 9.986 ( 6.605 -10.436 -10.807) 16.411 10.107 ( -5.343 -7.670 -9.200) 13.116 11.320 ( 7.413 11.285 3.638) 13.983 11.444 ( -4.179 10.331 1.717) 11.276 11.667 ( 7.585 -3.675 0.342) 8.435 11.846 ( -8.466 -7.003 -2.299) 11.225 12.223 ( 0.434 4.800 -3.575) 6.001 12.268 ( -3.213 5.403 -2.804) 6.883 12.637 ( 0.554 -11.135 -3.188) 11.596 12.659 ( -1.399 -10.723 -2.828) 11.178 13.712 ( 1.029 10.245 12.784) 16.415 13.760 ( -3.979 9.436 14.737) 17.946 14.278 ( 0.936 -12.893 5.250) 13.953 14.320 ( -3.313 -13.614 4.173) 14.619 15.154 ( 13.460 19.894 -10.405) 26.177 15.443 ( -15.150 16.993 -14.009) 26.731 16.079 ( 6.631 -20.594 -4.159) 22.031 16.235 ( -8.791 -17.668 -6.243) 20.698 17.245 ( 29.393 3.799 16.761) 34.048 17.448 ( 29.184 -4.486 14.620) 32.948 17.780 ( -22.992 3.314 11.791) 26.050 17.984 ( -23.198 -5.262 10.214) 25.888 19.880 ( 11.817 4.767 -6.413) 14.265 20.006 ( 8.072 -0.310 -10.282) 13.076 20.103 ( -9.823 3.814 -6.333) 12.294 20.169 ( -7.440 1.324 -8.359) 11.269 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 0.000 -0.787 -1.205) 1.439 1.762 ( 0.000 0.787 -1.205) 1.439 1.969 ( 0.000 -8.336 7.748) 11.380 1.969 ( 0.000 8.336 7.748) 11.380 2.442 ( 0.000 -11.603 8.746) 14.530 2.442 ( 0.000 11.603 8.746) 14.530 2.770 ( 0.000 -0.081 -1.263) 1.265 2.770 ( 0.000 0.081 -1.263) 1.265 3.241 ( 0.000 -3.156 -10.120) 10.600 3.241 ( 0.000 3.156 -10.120) 10.600 3.630 ( 0.000 -9.666 -7.083) 11.983 3.630 ( 0.000 9.666 -7.083) 11.983 3.913 ( 0.000 -1.399 6.891) 7.032 3.913 ( 0.000 1.399 6.891) 7.032 3.961 ( 0.000 -18.763 11.498) 22.005 3.961 ( 0.000 18.763 11.498) 22.005 4.707 ( 0.000 -4.926 0.181) 4.929 4.707 ( 0.000 4.926 0.181) 4.929 4.933 ( 0.000 -1.716 5.976) 6.217 4.933 ( 0.000 1.716 5.976) 6.217 5.751 ( 0.000 -14.544 8.802) 17.000 5.751 ( 0.000 14.544 8.802) 17.000 5.975 ( 0.000 -15.390 3.957) 15.891 5.975 ( 0.000 15.390 3.957) 15.891 6.732 ( 0.000 -6.122 1.803) 6.382 6.732 ( 0.000 6.122 1.803) 6.382 6.919 ( 0.000 -3.318 -11.096) 11.581 6.919 ( 0.000 3.318 -11.096) 11.581 7.322 ( 0.000 -7.764 -7.418) 10.738 7.322 ( 0.000 7.764 -7.418) 10.738 7.411 ( 0.000 -1.018 -11.175) 11.221 7.411 ( 0.000 1.018 -11.175) 11.221 8.770 ( 0.000 -2.479 16.746) 16.929 8.770 ( 0.000 2.479 16.746) 16.929 10.323 ( 0.000 -3.429 -2.250) 4.101 10.323 ( 0.000 3.429 -2.250) 4.101 11.260 ( 0.000 -13.662 -1.074) 13.704 11.260 ( 0.000 13.662 -1.074) 13.704 11.898 ( 0.000 -7.536 0.039) 7.536 11.898 ( 0.000 7.536 0.039) 7.536 12.469 ( 0.000 -1.504 -10.792) 10.896 12.469 ( 0.000 1.504 -10.792) 10.896 12.582 ( 0.000 -2.729 -5.122) 5.804 12.582 ( 0.000 2.729 -5.122) 5.804 14.023 ( 0.000 -13.482 7.402) 15.380 14.023 ( 0.000 13.482 7.402) 15.380 14.507 ( 0.000 -2.728 4.417) 5.191 14.507 ( 0.000 2.728 4.417) 5.191 15.199 ( 0.000 -12.848 8.321) 15.307 15.199 ( 0.000 12.848 8.321) 15.307 15.607 ( 0.000 -4.902 15.814) 16.556 15.607 ( 0.000 4.902 15.814) 16.556 17.182 ( 0.000 -1.339 -28.596) 28.627 17.182 ( 0.000 1.339 -28.596) 28.627 17.666 ( 0.000 -2.964 -12.501) 12.848 17.666 ( 0.000 2.964 -12.501) 12.848 19.708 ( 0.000 -9.045 16.939) 19.203 19.708 ( 0.000 9.045 16.939) 19.203 20.515 ( 0.000 -1.125 1.845) 2.161 20.515 ( 0.000 1.125 1.845) 2.161 ======================= Grid point 155 (57/100) ======================= q-point: ( 0.11 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 2.858 -8.184 -0.884) 8.714 1.796 ( 2.858 8.184 -0.884) 8.714 2.014 ( 4.309 -9.659 6.867) 12.610 2.014 ( 4.309 9.659 6.867) 12.610 2.507 ( 5.762 -10.845 9.708) 15.654 2.507 ( 5.762 10.845 9.708) 15.654 2.730 ( -3.350 -0.553 -2.234) 4.064 2.730 ( -3.350 0.553 -2.234) 4.064 3.192 ( -4.975 -3.453 -11.200) 12.732 3.192 ( -4.975 3.453 -11.200) 12.732 3.569 ( -5.445 -9.594 -2.940) 11.416 3.569 ( -5.445 9.594 -2.940) 11.416 3.859 ( -4.637 -2.854 2.852) 6.147 3.859 ( -4.637 2.854 2.852) 6.147 4.093 ( 12.475 -15.538 10.403) 22.479 4.093 ( 12.475 15.538 10.403) 22.479 4.771 ( 6.042 -6.688 -4.484) 10.066 4.771 ( 6.042 6.688 -4.484) 10.066 4.952 ( 1.736 -1.942 10.269) 10.594 4.952 ( 1.736 1.942 10.269) 10.594 5.745 ( -0.901 -12.030 7.083) 13.989 5.745 ( -0.901 12.030 7.083) 13.989 5.900 ( -4.952 -13.556 4.200) 15.031 5.900 ( -4.952 13.556 4.200) 15.031 6.741 ( 0.759 -4.358 -1.945) 4.832 6.741 ( 0.759 4.358 -1.945) 4.832 6.956 ( -3.982 -4.395 -14.808) 15.951 6.956 ( -3.982 4.395 -14.808) 15.951 7.231 ( 2.628 -0.990 0.173) 2.814 7.231 ( 2.628 0.990 0.173) 2.814 7.601 ( 11.841 -4.279 -5.091) 13.581 7.601 ( 11.841 4.279 -5.091) 13.581 8.859 ( 8.821 -6.601 12.037) 16.318 8.859 ( 8.821 6.601 12.037) 16.318 10.294 ( -2.854 -3.196 -2.888) 5.167 10.294 ( -2.854 3.196 -2.888) 5.167 11.273 ( 1.269 -12.420 -0.897) 12.517 11.273 ( 1.269 12.420 -0.897) 12.517 11.892 ( -0.614 -7.766 0.120) 7.791 11.892 ( -0.614 7.766 0.120) 7.791 12.438 ( -2.603 -3.423 -9.356) 10.297 12.438 ( -2.603 3.423 -9.356) 10.297 12.582 ( -0.327 -3.770 -5.306) 6.518 12.582 ( -0.327 3.770 -5.306) 6.518 14.022 ( -0.211 -13.678 7.565) 15.632 14.022 ( -0.211 13.678 7.565) 15.632 14.439 ( -6.462 -6.338 5.387) 10.533 14.439 ( -6.462 6.338 5.387) 10.533 15.200 ( 0.831 -18.670 4.777) 19.289 15.200 ( 0.831 18.670 4.777) 19.289 15.767 ( 15.164 -6.591 17.643) 24.180 15.767 ( 15.164 6.591 17.643) 24.180 16.880 ( -20.532 -4.016 -20.315) 29.162 16.880 ( -20.532 4.016 -20.315) 29.162 17.961 ( 19.208 -3.604 -17.170) 26.014 17.961 ( 19.208 3.604 -17.170) 26.014 19.685 ( -1.884 -8.520 14.719) 17.111 19.685 ( -1.884 8.520 14.719) 17.111 20.493 ( -2.201 -0.875 0.994) 2.569 20.493 ( -2.201 0.875 0.994) 2.569 ======================= Grid point 157 (58/100) ======================= q-point: ( 0.22 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 4.746 -7.924 0.596) 9.256 1.869 ( 4.746 7.924 0.596) 9.256 2.118 ( 5.666 -8.884 5.984) 12.117 2.118 ( 5.666 8.884 5.984) 12.117 2.588 ( -0.265 -5.746 10.183) 11.695 2.588 ( -0.265 5.746 10.183) 11.695 2.678 ( -1.187 -2.394 -2.828) 3.890 2.678 ( -1.187 2.394 -2.828) 3.890 3.060 ( -6.926 -6.497 -10.909) 14.463 3.060 ( -6.926 6.497 -10.909) 14.463 3.446 ( -7.179 -8.232 1.636) 11.045 3.446 ( -7.179 8.232 1.636) 11.045 3.797 ( 0.607 -1.723 -4.426) 4.788 3.797 ( 0.607 1.723 -4.426) 4.788 4.381 ( 14.825 -17.266 4.038) 23.113 4.381 ( 14.825 17.266 4.038) 23.113 4.905 ( 4.599 -12.666 2.615) 13.726 4.905 ( 4.599 12.666 2.615) 13.726 5.018 ( 7.076 -13.489 2.124) 15.379 5.018 ( 7.076 13.489 2.124) 15.379 5.700 ( -4.159 -12.691 0.079) 13.355 5.700 ( -4.159 12.691 0.079) 13.355 5.881 ( 4.406 -1.577 8.507) 9.709 5.881 ( 4.406 1.577 8.507) 9.709 6.547 ( -17.895 -5.746 -14.795) 23.919 6.547 ( -17.895 5.746 -14.795) 23.919 6.974 ( 4.654 -7.783 -2.270) 9.348 6.974 ( 4.654 7.783 -2.270) 9.348 7.350 ( 7.288 -3.029 7.277) 10.735 7.350 ( 7.288 3.029 7.277) 10.735 7.817 ( 8.626 -6.732 4.421) 11.802 7.817 ( 8.626 6.732 4.421) 11.802 9.106 ( 15.440 -11.957 1.341) 19.574 9.106 ( 15.440 11.957 1.341) 19.574 10.213 ( -5.248 -3.481 -4.564) 7.777 10.213 ( -5.248 3.481 -4.564) 7.777 11.312 ( 2.829 -9.521 -0.468) 9.943 11.312 ( 2.829 9.521 -0.468) 9.943 11.868 ( -2.012 -8.411 0.200) 8.650 11.868 ( -2.012 8.411 0.200) 8.650 12.386 ( -2.310 -5.162 -6.886) 8.910 12.386 ( -2.310 5.162 -6.886) 8.910 12.561 ( -1.895 -4.699 -4.411) 6.717 12.561 ( -1.895 4.699 -4.411) 6.717 14.011 ( -0.873 -14.020 8.017) 16.174 14.011 ( -0.873 14.020 8.017) 16.174 14.279 ( -8.787 -10.730 7.341) 15.692 14.279 ( -8.787 10.730 7.341) 15.692 15.254 ( 4.861 -22.466 -0.867) 23.003 15.254 ( 4.861 22.466 -0.867) 23.003 16.163 ( 22.657 -6.629 16.880) 29.021 16.163 ( 22.657 6.629 16.880) 29.021 16.503 ( -15.755 -7.081 -12.750) 21.469 16.503 ( -15.755 7.081 -12.750) 21.469 18.248 ( 7.525 -4.476 -10.871) 13.958 18.248 ( 7.525 4.476 -10.871) 13.958 19.669 ( 1.482 -7.085 6.645) 9.826 19.669 ( 1.482 7.085 6.645) 9.826 20.428 ( -4.330 -0.287 -1.240) 4.513 20.428 ( -4.330 0.287 -1.240) 4.513 ======================= Grid point 159 (59/100) ======================= q-point: ( 0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 7.519 -3.357 0.774) 8.271 1.991 ( 7.519 3.357 0.774) 8.271 2.227 ( 5.250 -6.422 7.401) 11.117 2.227 ( 5.250 6.422 7.401) 11.117 2.535 ( -3.757 -2.430 5.591) 7.161 2.535 ( -3.757 2.430 5.591) 7.161 2.593 ( -8.005 -0.237 -0.996) 8.070 2.593 ( -8.005 0.237 -0.996) 8.070 2.981 ( -0.877 -8.499 -3.763) 9.336 2.981 ( -0.877 8.499 -3.763) 9.336 3.273 ( -9.552 -6.250 3.097) 11.828 3.273 ( -9.552 6.250 3.097) 11.828 3.932 ( 12.536 -3.748 -13.593) 18.867 3.932 ( 12.536 3.748 -13.593) 18.867 4.627 ( 7.960 -15.909 -0.584) 17.799 4.627 ( 7.960 15.909 -0.584) 17.799 4.921 ( -0.093 -14.053 4.630) 14.796 4.921 ( -0.093 14.053 4.630) 14.796 5.222 ( 10.120 -15.337 -6.836) 19.605 5.222 ( 10.120 15.337 -6.836) 19.605 5.593 ( -5.646 -8.944 -6.450) 12.388 5.593 ( -5.646 8.944 -6.450) 12.388 6.000 ( -1.137 -2.499 -4.737) 5.475 6.000 ( -1.137 2.499 -4.737) 5.475 6.249 ( -2.771 -5.712 5.611) 8.473 6.249 ( -2.771 5.712 5.611) 8.473 6.978 ( -5.134 -7.626 2.120) 9.435 6.978 ( -5.134 7.626 2.120) 9.435 7.533 ( 10.798 -4.798 10.833) 16.031 7.533 ( 10.798 4.798 10.833) 16.031 7.916 ( 1.357 -6.627 11.191) 13.077 7.916 ( 1.357 6.627 11.191) 13.077 9.429 ( 16.046 -13.886 -6.624) 22.230 9.429 ( 16.046 13.886 -6.624) 22.230 10.089 ( -7.166 -5.471 -6.708) 11.237 10.089 ( -7.166 5.471 -6.708) 11.237 11.392 ( 5.345 -7.137 -0.155) 8.918 11.392 ( 5.345 7.137 -0.155) 8.918 11.803 ( -4.759 -8.964 -0.094) 10.149 11.803 ( -4.759 8.964 -0.094) 10.149 12.358 ( -0.219 -7.112 -4.075) 8.200 12.358 ( -0.219 7.112 -4.075) 8.200 12.509 ( -3.184 -5.697 -2.697) 7.062 12.509 ( -3.184 5.697 -2.697) 7.062 13.991 ( -1.018 -14.158 8.478) 16.534 13.991 ( -1.018 14.158 8.478) 16.534 14.120 ( -6.810 -13.163 8.685) 17.177 14.120 ( -6.810 13.163 8.685) 17.177 15.391 ( 8.806 -22.441 -5.227) 24.667 15.391 ( 8.806 22.441 -5.227) 24.667 16.136 ( -14.949 -13.157 -12.043) 23.272 16.136 ( -14.949 13.157 -12.043) 23.272 16.751 ( 29.310 -5.292 18.310) 34.962 16.751 ( 29.310 5.292 18.310) 34.962 18.216 ( -10.515 -4.984 2.112) 11.826 18.216 ( -10.515 4.984 2.112) 11.826 19.771 ( 8.464 -5.128 -4.017) 10.680 19.771 ( 8.464 5.128 -4.017) 10.680 20.320 ( -6.608 -0.610 -4.189) 7.848 20.320 ( -6.608 0.611 -4.189) 7.848 ======================= Grid point 161 (60/100) ======================= q-point: ( 0.44 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 9.284 -1.475 -0.024) 9.401 2.159 ( 9.284 1.475 -0.024) 9.401 2.308 ( -0.356 -4.228 5.911) 7.277 2.308 ( -0.356 4.228 5.911) 7.277 2.414 ( -4.615 -6.429 0.844) 7.959 2.414 ( -4.615 6.429 0.844) 7.959 2.464 ( -4.639 -5.664 6.586) 9.848 2.464 ( -4.639 5.664 6.586) 9.848 3.004 ( 3.024 -7.722 0.555) 8.311 3.004 ( 3.024 7.722 0.555) 8.311 3.103 ( -7.044 -6.908 2.132) 10.094 3.103 ( -7.044 6.908 2.132) 10.094 4.245 ( 17.624 -2.557 -14.131) 22.734 4.245 ( 17.624 2.557 -14.131) 22.734 4.566 ( -12.715 -5.376 -6.108) 15.096 4.566 ( -12.715 5.376 -6.108) 15.096 5.044 ( 11.362 -14.532 -5.908) 19.369 5.044 ( 11.362 14.532 -5.908) 19.369 5.261 ( -7.864 -7.475 -11.554) 15.850 5.261 ( -7.864 7.475 -11.554) 15.850 5.589 ( 7.051 -7.034 -4.755) 11.037 5.589 ( 7.051 7.034 -4.755) 11.037 5.786 ( -12.084 -9.751 -7.049) 17.052 5.786 ( -12.084 9.751 -7.049) 17.052 6.480 ( 16.612 -5.081 14.127) 22.391 6.480 ( 16.612 5.081 14.127) 22.391 6.788 ( -13.370 -6.393 8.251) 16.962 6.788 ( -13.370 6.393 8.251) 16.962 7.740 ( 9.260 -5.521 12.217) 16.294 7.740 ( 9.260 5.521 12.217) 16.294 7.881 ( -4.683 -6.110 12.897) 15.020 7.881 ( -4.683 6.110 12.897) 15.020 9.714 ( 12.530 -12.079 -9.159) 19.667 9.714 ( 12.530 12.079 -9.159) 19.667 9.928 ( -9.262 -8.665 -8.579) 15.312 9.928 ( -9.262 8.665 -8.579) 15.312 11.524 ( 7.697 -6.885 -0.282) 10.331 11.524 ( 7.697 6.885 -0.282) 10.331 11.679 ( -7.508 -8.235 -0.435) 11.153 11.679 ( -7.508 8.235 -0.435) 11.153 12.380 ( 2.307 -8.011 -1.837) 8.537 12.380 ( 2.307 8.011 -1.837) 8.537 12.441 ( -3.540 -7.118 -1.426) 8.076 12.441 ( -3.540 7.118 -1.426) 8.076 13.982 ( 0.467 -14.078 8.804) 16.611 13.982 ( 0.467 14.078 8.804) 16.611 14.019 ( -3.371 -13.903 8.991) 16.896 14.019 ( -3.371 13.903 8.991) 16.896 15.596 ( 11.719 -20.290 -8.095) 24.790 15.596 ( 11.719 20.290 -8.095) 24.790 15.849 ( -13.719 -17.037 -10.177) 24.125 15.849 ( -13.719 17.037 -10.177) 24.125 17.343 ( 29.264 -5.200 15.730) 33.628 17.343 ( 29.264 5.200 15.730) 33.628 17.871 ( -23.082 -5.134 10.929) 26.050 17.871 ( -23.082 5.134 10.929) 26.050 19.968 ( 10.551 -3.271 -8.065) 13.677 19.968 ( 10.551 3.271 -8.065) 13.677 20.165 ( -9.008 -1.752 -6.994) 11.539 20.165 ( -9.008 1.752 -6.994) 11.539 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 0.000 0.000 18.316) 18.316 1.709 ( 0.000 0.000 22.250) 22.250 1.785 ( 0.000 0.000 15.226) 15.226 2.329 ( 0.000 0.000 -3.352) 3.352 2.505 ( 0.000 0.000 -17.544) 17.544 2.613 ( 0.000 0.000 2.725) 2.725 2.678 ( 0.000 0.000 -7.192) 7.192 2.725 ( 0.000 0.000 1.610) 1.610 2.782 ( 0.000 0.000 -4.026) 4.026 2.920 ( 0.000 0.000 -3.583) 3.583 3.212 ( 0.000 0.000 -14.446) 14.446 3.334 ( 0.000 0.000 -7.857) 7.857 3.665 ( 0.000 0.000 34.564) 34.564 4.139 ( 0.000 0.000 -0.214) 0.214 4.329 ( 0.000 0.000 11.054) 11.054 4.339 ( 0.000 0.000 12.074) 12.074 4.608 ( 0.000 0.000 14.618) 14.618 4.747 ( 0.000 0.000 18.695) 18.695 5.173 ( 0.000 0.000 -3.903) 3.903 5.201 ( 0.000 0.000 11.279) 11.279 5.587 ( 0.000 0.000 3.747) 3.747 5.687 ( 0.000 0.000 4.245) 4.245 6.176 ( 0.000 0.000 -15.559) 15.559 6.384 ( 0.000 0.000 21.937) 21.937 6.461 ( 0.000 0.000 -4.671) 4.671 6.704 ( 0.000 0.000 -12.999) 12.999 6.706 ( 0.000 0.000 -17.516) 17.516 6.822 ( 0.000 0.000 -25.856) 25.856 6.876 ( 0.000 0.000 -7.177) 7.177 7.225 ( 0.000 0.000 -5.962) 5.962 7.462 ( 0.000 0.000 4.341) 4.341 7.651 ( 0.000 0.000 -3.271) 3.271 9.171 ( 0.000 0.000 13.480) 13.480 9.197 ( 0.000 0.000 18.352) 18.352 10.146 ( 0.000 0.000 -4.153) 4.153 10.342 ( 0.000 0.000 -13.051) 13.051 10.563 ( 0.000 0.000 5.269) 5.269 10.824 ( 0.000 0.000 -3.039) 3.039 11.709 ( 0.000 0.000 11.641) 11.641 11.931 ( 0.000 0.000 -1.557) 1.557 12.203 ( 0.000 0.000 -9.724) 9.724 12.592 ( 0.000 0.000 -13.125) 13.125 12.692 ( 0.000 0.000 -6.388) 6.388 12.742 ( 0.000 0.000 -9.200) 9.200 13.863 ( 0.000 0.000 17.024) 17.024 14.536 ( 0.000 0.000 17.371) 17.371 14.617 ( 0.000 0.000 -5.284) 5.284 14.719 ( 0.000 0.000 6.517) 6.517 14.920 ( 0.000 0.000 -0.083) 0.083 15.571 ( 0.000 0.000 23.428) 23.428 15.969 ( 0.000 0.000 -22.192) 22.192 16.166 ( 0.000 0.000 22.084) 22.084 16.716 ( 0.000 0.000 -8.160) 8.160 16.866 ( 0.000 0.000 -5.107) 5.107 17.266 ( 0.000 0.000 -13.930) 13.930 17.478 ( 0.000 0.000 -17.688) 17.688 19.819 ( 0.000 0.000 14.786) 14.786 20.310 ( 0.000 0.000 -3.294) 3.294 20.360 ( 0.000 0.000 1.985) 1.985 20.470 ( 0.000 0.000 -1.125) 1.125 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 4.967 0.000 18.817) 19.462 1.789 ( 6.864 0.000 20.871) 21.970 1.935 ( 14.220 0.000 8.851) 16.749 2.353 ( 1.538 0.000 -2.850) 3.238 2.475 ( -3.073 0.000 -11.432) 11.838 2.553 ( -4.853 0.000 0.496) 4.878 2.677 ( -0.084 0.000 -3.905) 3.906 2.808 ( 5.886 0.000 0.867) 5.950 2.840 ( 5.656 0.000 -6.325) 8.485 2.945 ( 3.451 0.000 -3.600) 4.986 3.267 ( 5.197 0.000 -13.552) 14.514 3.313 ( -0.486 0.000 -7.908) 7.923 3.712 ( 4.254 0.000 28.720) 29.033 4.047 ( -16.413 0.000 16.467) 23.249 4.083 ( -5.377 0.000 0.803) 5.436 4.431 ( 1.809 0.000 5.518) 5.807 4.444 ( -13.487 0.000 15.079) 20.230 4.902 ( 12.548 0.000 17.772) 21.755 5.203 ( 3.951 0.000 -0.537) 3.987 5.329 ( 9.335 0.000 4.258) 10.260 5.446 ( -11.912 0.000 6.104) 13.384 5.714 ( 2.571 0.000 7.602) 8.025 6.057 ( -8.623 0.000 -17.377) 19.399 6.349 ( -11.622 0.000 -14.503) 18.585 6.448 ( -17.440 0.000 -15.063) 23.044 6.667 ( 20.572 0.000 17.665) 27.115 6.705 ( 2.995 0.000 -8.953) 9.440 6.847 ( -0.590 0.000 -5.065) 5.100 6.953 ( 7.071 0.000 -17.623) 18.988 7.442 ( 15.028 0.000 -5.298) 15.935 7.485 ( 2.702 0.000 5.911) 6.499 7.798 ( 13.895 0.000 -4.337) 14.556 9.043 ( -5.049 0.000 17.961) 18.658 9.414 ( 13.300 0.000 8.436) 15.749 10.106 ( -4.589 0.000 -5.523) 7.180 10.294 ( -3.987 0.000 -11.712) 12.372 10.617 ( 5.380 0.000 5.584) 7.754 10.876 ( 5.249 0.000 -2.643) 5.877 11.709 ( -0.027 0.000 11.694) 11.694 11.918 ( -1.214 0.000 -2.069) 2.399 12.183 ( -2.021 0.000 -9.719) 9.926 12.566 ( -2.631 0.000 -12.375) 12.651 12.702 ( 1.029 0.000 -5.875) 5.964 12.752 ( 0.876 0.000 -8.667) 8.711 13.861 ( -0.137 0.000 16.800) 16.800 14.433 ( -8.360 0.000 14.780) 16.980 14.535 ( -8.225 0.000 0.791) 8.263 14.706 ( -1.061 0.000 6.078) 6.170 14.851 ( -5.238 0.000 -1.608) 5.480 15.756 ( 6.186 0.000 5.655) 8.381 15.818 ( -3.450 0.000 -7.084) 7.880 16.317 ( 14.848 0.000 22.148) 26.664 16.685 ( -1.607 0.000 -3.308) 3.678 16.842 ( -1.202 0.000 -1.488) 1.913 17.478 ( 17.106 0.000 -17.540) 24.500 17.680 ( 18.137 0.000 -20.141) 27.104 19.777 ( -4.140 0.000 14.284) 14.872 20.280 ( -3.077 0.000 -3.810) 4.898 20.319 ( -4.799 0.000 0.904) 4.884 20.353 ( -10.384 0.000 0.214) 10.386 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 5.889 0.000 12.408) 13.735 1.933 ( 7.186 0.000 16.834) 18.304 2.204 ( 5.894 0.000 -1.565) 6.099 2.339 ( -0.667 0.000 -3.036) 3.108 2.447 ( 1.967 0.000 1.173) 2.290 2.451 ( -5.023 0.000 0.247) 5.029 2.643 ( -3.024 0.000 -2.164) 3.719 2.892 ( 0.731 0.000 -0.180) 0.753 2.977 ( 7.823 0.000 -2.629) 8.252 3.077 ( 9.567 0.000 -3.208) 10.090 3.385 ( 7.890 0.000 -10.035) 12.765 3.389 ( 6.128 0.000 -10.429) 12.096 3.779 ( -8.455 0.000 13.323) 15.780 3.817 ( 6.186 0.000 14.290) 15.572 3.949 ( -6.969 0.000 4.769) 8.445 4.167 ( -13.043 0.000 15.939) 20.596 4.463 ( 2.057 0.000 1.422) 2.501 5.144 ( 3.395 0.000 20.990) 21.263 5.209 ( -4.632 0.000 -0.906) 4.720 5.317 ( 6.926 0.000 1.181) 7.026 5.511 ( 8.034 0.000 -5.725) 9.865 5.754 ( -20.152 0.000 -21.699) 29.613 5.771 ( 2.607 0.000 12.318) 12.591 6.053 ( -16.443 0.000 -16.521) 23.309 6.224 ( -5.233 0.000 -12.254) 13.324 6.746 ( -0.729 0.000 -4.982) 5.035 6.857 ( 1.954 0.000 2.110) 2.876 7.052 ( 2.810 0.000 -13.603) 13.891 7.090 ( 20.833 0.000 16.481) 26.564 7.638 ( 13.083 0.000 8.664) 15.692 7.707 ( 10.850 0.000 -1.666) 10.977 8.105 ( 14.826 0.000 -2.847) 15.096 8.977 ( -1.423 0.000 14.714) 14.783 9.680 ( 12.775 0.000 0.503) 12.785 9.946 ( -11.207 0.000 -8.914) 14.320 10.223 ( -2.847 0.000 -8.453) 8.919 10.766 ( 9.209 0.000 6.400) 11.215 11.023 ( 9.068 0.000 -1.737) 9.233 11.708 ( 0.001 0.000 11.899) 11.899 11.890 ( -1.388 0.000 -3.439) 3.709 12.127 ( -3.465 0.000 -9.647) 10.250 12.484 ( -5.760 0.000 -9.862) 11.421 12.728 ( 1.428 0.000 -4.709) 4.921 12.771 ( 0.961 0.000 -7.580) 7.640 13.862 ( 0.312 0.000 16.282) 16.285 14.282 ( -5.575 0.000 8.287) 9.988 14.331 ( -10.902 0.000 10.871) 15.396 14.682 ( -1.320 0.000 4.237) 4.437 14.757 ( -4.064 0.000 -4.229) 5.865 15.418 ( -20.877 0.000 -24.366) 32.086 16.203 ( 21.495 0.000 18.059) 28.074 16.682 ( 1.118 0.000 0.334) 1.167 16.725 ( 25.427 0.000 21.660) 33.402 16.843 ( 2.667 0.000 4.434) 5.174 17.824 ( 15.877 0.000 -16.138) 22.639 18.082 ( 19.871 0.000 -19.795) 28.049 19.670 ( -5.913 0.000 11.909) 13.296 20.061 ( -15.989 0.000 1.576) 16.067 20.188 ( -6.207 0.000 -5.190) 8.091 20.217 ( -6.975 0.000 -2.584) 7.438 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 1.497 0.000 1.157) 1.893 2.075 ( 7.259 0.000 9.662) 12.085 2.104 ( -8.857 0.000 -5.825) 10.600 2.366 ( -3.488 0.000 -0.692) 3.557 2.389 ( 2.757 0.000 6.548) 7.105 2.522 ( 3.158 0.000 4.932) 5.857 2.584 ( -2.238 0.000 1.000) 2.451 2.833 ( -5.917 0.000 2.277) 6.339 3.148 ( 8.888 0.000 1.770) 9.062 3.279 ( 9.904 0.000 -5.139) 11.158 3.469 ( 0.845 0.000 -5.720) 5.782 3.530 ( 4.263 0.000 -10.024) 10.893 3.777 ( 9.159 0.000 3.021) 9.644 3.790 ( -5.843 0.000 3.969) 7.063 3.935 ( -7.125 0.000 7.756) 10.532 4.082 ( 16.043 0.000 11.118) 19.519 4.519 ( 3.430 0.000 -2.773) 4.411 4.943 ( -10.941 0.000 6.147) 12.550 5.095 ( -21.805 0.000 -7.739) 23.137 5.417 ( -5.312 0.000 -8.089) 9.678 5.518 ( -4.452 0.000 -11.276) 12.123 5.617 ( 9.769 0.000 -4.597) 10.797 5.750 ( -3.387 0.000 -0.589) 3.437 5.940 ( 9.180 0.000 9.447) 13.173 6.146 ( -4.094 0.000 -10.691) 11.448 6.664 ( -7.162 0.000 -4.741) 8.589 6.921 ( 4.083 0.000 5.206) 6.616 7.079 ( 0.088 0.000 -4.225) 4.226 7.464 ( 16.488 0.000 14.111) 21.702 7.857 ( 4.108 0.000 2.725) 4.930 7.947 ( 16.217 0.000 8.743) 18.424 8.327 ( 6.788 0.000 3.152) 7.484 9.001 ( 4.270 0.000 6.441) 7.728 9.685 ( -14.104 0.000 -7.216) 15.843 9.901 ( 8.901 0.000 -5.661) 10.549 10.174 ( -2.323 0.000 -6.793) 7.179 10.964 ( 10.250 0.000 7.228) 12.542 11.201 ( 7.530 0.000 -0.086) 7.531 11.727 ( 2.915 0.000 11.130) 11.506 11.875 ( 0.183 0.000 -5.495) 5.498 12.052 ( -4.045 0.000 -9.432) 10.263 12.333 ( -9.642 0.000 -5.402) 11.052 12.752 ( 0.998 0.000 -4.051) 4.172 12.787 ( 0.523 0.000 -6.256) 6.278 13.878 ( 1.447 0.000 15.854) 15.920 14.139 ( -8.243 0.000 15.161) 17.257 14.242 ( 1.981 0.000 -0.510) 2.045 14.656 ( -1.232 0.000 1.961) 2.315 14.691 ( -2.683 0.000 -3.574) 4.469 15.004 ( -20.279 0.000 -21.233) 29.361 16.503 ( 7.797 0.000 4.839) 9.176 16.689 ( -1.153 0.000 -1.686) 2.043 17.072 ( 21.193 0.000 18.304) 28.003 17.283 ( 29.788 0.000 19.775) 35.754 18.035 ( 3.736 0.000 -6.392) 7.404 18.375 ( 7.230 0.000 -9.488) 11.929 19.585 ( -1.315 0.000 5.048) 5.217 19.778 ( -10.444 0.000 -3.016) 10.871 20.035 ( -9.096 0.000 -6.852) 11.388 20.055 ( -9.193 0.000 -7.132) 11.635 ======================= Grid point 193 (65/100) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 0.143 0.000 -4.920) 4.922 1.950 ( -5.625 0.000 -5.141) 7.620 2.211 ( 5.987 0.000 1.933) 6.291 2.303 ( -3.441 0.000 -1.528) 3.765 2.465 ( 4.486 0.000 9.565) 10.565 2.534 ( -1.805 0.000 7.643) 7.853 2.582 ( 2.715 0.000 4.727) 5.451 2.691 ( -7.417 0.000 4.938) 8.910 3.307 ( 7.032 0.000 1.298) 7.151 3.424 ( -4.594 0.000 -1.067) 4.716 3.448 ( 6.801 0.000 -7.807) 10.354 3.543 ( -2.559 0.000 -9.416) 9.757 3.730 ( 0.709 0.000 9.724) 9.750 3.803 ( -5.645 0.000 11.058) 12.416 4.098 ( 21.223 0.000 -7.943) 22.661 4.511 ( 24.690 0.000 -6.820) 25.615 4.529 ( -14.092 0.000 -18.153) 22.981 4.673 ( -6.139 0.000 5.139) 8.006 4.759 ( -7.781 0.000 4.553) 9.015 5.012 ( -25.111 0.000 -16.282) 29.928 5.596 ( 5.207 0.000 1.990) 5.574 5.686 ( -3.866 0.000 1.681) 4.215 5.851 ( 11.286 0.000 -4.072) 11.998 6.036 ( -7.317 0.000 -7.678) 10.606 6.200 ( 14.611 0.000 2.105) 14.761 6.471 ( -12.126 0.000 -3.358) 12.583 7.002 ( 3.709 0.000 5.693) 6.795 7.059 ( -1.995 0.000 3.002) 3.604 7.731 ( 10.290 0.000 10.928) 15.011 7.866 ( -3.212 0.000 7.059) 7.756 8.225 ( 11.011 0.000 8.860) 14.133 8.364 ( -2.813 0.000 7.929) 8.413 9.152 ( 10.653 0.000 -1.892) 10.819 9.402 ( -13.980 0.000 -6.135) 15.267 10.040 ( 5.312 0.000 -5.699) 7.791 10.122 ( -3.170 0.000 -5.904) 6.701 11.151 ( 8.144 0.000 7.082) 10.792 11.260 ( -2.001 0.000 4.377) 4.812 11.864 ( 10.798 0.000 5.967) 12.337 11.903 ( 2.601 0.000 -7.609) 8.041 11.971 ( -3.967 0.000 -8.916) 9.759 12.108 ( -12.628 0.000 0.051) 12.628 12.771 ( 0.956 0.000 -4.233) 4.339 12.787 ( -0.498 0.000 -5.041) 5.066 13.923 ( 3.126 0.000 15.835) 16.141 14.005 ( -5.331 0.000 16.001) 16.865 14.365 ( 10.221 0.000 -9.299) 13.819 14.634 ( -16.564 0.000 -16.249) 23.203 14.640 ( -0.185 0.000 -0.172) 0.252 14.651 ( -1.288 0.000 -1.678) 2.115 16.595 ( 3.126 0.000 0.535) 3.172 16.650 ( -2.457 0.000 -1.064) 2.678 17.547 ( 23.765 0.000 16.914) 29.169 17.860 ( 27.198 0.000 15.851) 31.480 17.934 ( -13.622 0.000 7.709) 15.653 18.298 ( -14.859 0.000 7.002) 16.426 19.649 ( 7.373 0.000 -3.960) 8.369 19.714 ( 3.812 0.000 -11.413) 12.032 19.837 ( -10.503 0.000 -7.426) 12.863 19.864 ( -9.623 0.000 -11.439) 14.948 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 0.000 1.764 14.700) 14.806 1.767 ( 0.000 4.447 18.570) 19.095 1.972 ( 0.000 10.808 6.722) 12.728 2.283 ( 0.000 -2.663 -0.616) 2.733 2.449 ( 0.000 -5.951 -11.597) 13.034 2.678 ( 0.000 4.627 -4.088) 6.174 2.711 ( 0.000 -0.512 -2.884) 2.930 2.768 ( 0.000 0.899 -3.743) 3.849 2.795 ( 0.000 12.346 2.767) 12.652 2.853 ( 0.000 -0.642 -5.380) 5.418 3.268 ( 0.000 -6.075 -9.384) 11.179 3.482 ( 0.000 17.955 -13.159) 22.260 3.677 ( 0.000 0.428 27.024) 27.028 4.030 ( 0.000 -8.430 -0.755) 8.464 4.280 ( 0.000 -5.121 16.800) 17.563 4.383 ( 0.000 3.661 13.396) 13.888 4.599 ( 0.000 3.794 17.424) 17.832 4.746 ( 0.000 -1.433 15.037) 15.105 5.139 ( 0.000 -2.798 -2.256) 3.594 5.258 ( 0.000 6.609 11.992) 13.692 5.637 ( 0.000 -4.520 5.222) 6.907 5.791 ( 0.000 12.491 -5.923) 13.824 6.205 ( 0.000 3.270 -9.052) 9.625 6.231 ( 0.000 -9.586 12.883) 16.058 6.573 ( 0.000 5.348 -0.291) 5.356 6.649 ( 0.000 -4.562 -11.815) 12.665 6.731 ( 0.000 1.907 -19.380) 19.473 6.774 ( 0.000 -7.722 -4.331) 8.854 6.866 ( 0.000 4.501 -19.618) 20.128 7.226 ( 0.000 -0.504 -8.679) 8.693 7.402 ( 0.000 -5.285 3.901) 6.569 7.594 ( 0.000 -5.429 -3.455) 6.435 9.160 ( 0.000 -0.893 14.143) 14.171 9.176 ( 0.000 -1.666 18.839) 18.913 10.157 ( 0.000 1.028 -4.313) 4.434 10.326 ( 0.000 -1.370 -11.096) 11.180 10.686 ( 0.000 11.043 4.956) 12.105 10.975 ( 0.000 12.360 -5.896) 13.694 11.742 ( 0.000 2.973 10.171) 10.597 11.922 ( 0.000 -0.678 -1.727) 1.855 12.208 ( 0.000 0.622 -9.515) 9.535 12.516 ( 0.000 -6.080 -10.548) 12.175 12.646 ( 0.000 -4.203 -6.229) 7.514 12.725 ( 0.000 -2.902 -9.309) 9.751 13.875 ( 0.000 2.028 16.208) 16.334 14.597 ( 0.000 -1.820 -4.143) 4.526 14.644 ( 0.000 -6.793 5.925) 9.014 14.662 ( 0.000 10.035 14.593) 17.711 14.822 ( 0.000 -6.578 3.866) 7.630 15.595 ( 0.000 1.923 22.145) 22.229 15.983 ( 0.000 0.678 -17.060) 17.074 16.135 ( 0.000 -2.824 22.042) 22.222 16.738 ( 0.000 1.254 -11.854) 11.920 16.781 ( 0.000 -6.931 -7.478) 10.196 17.278 ( 0.000 1.045 -14.935) 14.971 17.463 ( 0.000 -1.404 -17.608) 17.664 19.823 ( 0.000 0.688 13.766) 13.783 20.230 ( 0.000 -6.229 -1.429) 6.391 20.411 ( 0.000 4.187 2.198) 4.729 20.508 ( 0.000 2.517 0.228) 2.527 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.11 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 5.091 -0.136 15.315) 16.140 1.840 ( 5.528 4.769 15.920) 17.514 2.097 ( 10.840 6.979 3.035) 13.245 2.304 ( 2.522 -0.116 -0.050) 2.525 2.417 ( -3.234 -3.970 -8.022) 9.517 2.654 ( -2.975 5.230 -0.360) 6.028 2.732 ( -1.120 -2.751 -1.747) 3.446 2.751 ( 3.314 -2.417 -4.683) 6.225 2.793 ( 0.743 5.988 -4.724) 7.663 2.962 ( 6.815 5.491 -2.874) 9.212 3.256 ( 0.830 -4.172 -7.816) 8.898 3.560 ( 7.075 18.230 -11.154) 22.512 3.678 ( 0.068 -2.444 21.789) 21.926 3.962 ( -6.848 -7.390 0.476) 10.086 4.128 ( -12.876 3.932 14.385) 19.703 4.271 ( -6.246 -3.992 19.782) 21.125 4.637 ( 1.153 8.520 7.458) 11.381 4.817 ( 5.661 -6.858 11.035) 14.172 5.182 ( 2.817 -0.588 3.891) 4.840 5.312 ( 3.870 3.748 11.615) 12.803 5.592 ( -4.643 -1.157 0.533) 4.814 5.740 ( -0.110 8.026 2.640) 8.450 6.096 ( -6.006 2.309 -10.768) 12.544 6.278 ( -5.870 -6.629 -7.974) 11.916 6.442 ( -17.974 -0.403 -14.614) 23.169 6.607 ( 5.684 -1.455 -2.229) 6.277 6.747 ( 1.019 -3.923 -4.313) 5.919 6.852 ( 12.739 4.424 3.503) 13.933 6.962 ( 7.344 2.082 -17.348) 18.954 7.388 ( 8.175 -4.574 1.409) 9.473 7.470 ( 9.413 -1.502 -1.808) 9.702 7.754 ( 14.866 -4.121 -4.371) 16.034 9.053 ( -4.154 0.964 17.812) 18.315 9.360 ( 11.446 -4.508 10.202) 15.982 10.117 ( -4.440 1.064 -5.526) 7.168 10.279 ( -3.978 -1.271 -10.411) 11.217 10.736 ( 4.962 10.627 5.192) 12.826 11.012 ( 3.739 11.084 -4.953) 12.703 11.739 ( -0.413 2.662 10.004) 10.360 11.915 ( -0.598 -0.200 -2.054) 2.149 12.189 ( -1.848 0.863 -9.465) 9.682 12.488 ( -2.634 -6.223 -9.714) 11.834 12.661 ( 1.201 -4.079 -6.016) 7.367 12.730 ( 0.526 -3.035 -8.636) 9.169 13.871 ( -0.433 1.916 16.072) 16.191 14.515 ( -8.045 -1.232 1.685) 8.311 14.572 ( -7.185 11.455 12.467) 18.392 14.632 ( -0.915 -6.715 6.206) 9.189 14.769 ( -4.127 -6.353 0.193) 7.578 15.753 ( 5.304 -1.038 5.533) 7.734 15.872 ( -1.589 4.860 -4.396) 6.743 16.286 ( 13.742 -2.704 20.890) 25.150 16.635 ( -3.475 -5.019 -2.557) 6.619 16.768 ( -2.813 -6.009 -5.258) 8.466 17.491 ( 17.457 1.337 -17.943) 25.069 17.679 ( 18.528 -0.402 -19.814) 27.131 19.781 ( -4.069 0.725 13.209) 13.840 20.169 ( -6.310 -6.693 -0.708) 9.226 20.374 ( -3.695 4.238 1.058) 5.721 20.432 ( -6.823 4.220 -0.186) 8.025 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.22 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 7.505 -0.600 12.018) 14.182 1.967 ( 7.174 4.194 11.239) 13.978 2.237 ( 1.326 -5.294 -0.984) 5.545 2.313 ( -5.135 2.979 -5.463) 8.068 2.414 ( 4.295 6.107 0.166) 7.468 2.589 ( -2.268 3.548 1.660) 4.526 2.732 ( 0.233 4.866 -0.117) 4.873 2.813 ( 3.751 -4.631 -3.020) 6.681 2.832 ( 2.944 -7.181 -3.778) 8.631 3.042 ( 1.939 0.402 -3.314) 3.860 3.357 ( 7.399 -2.540 -3.296) 8.489 3.686 ( 2.457 1.453 9.187) 9.620 3.699 ( 2.513 11.119 -2.596) 11.691 3.807 ( -5.142 -4.633 1.004) 6.994 3.953 ( -2.576 5.890 3.936) 7.538 4.132 ( -6.999 0.644 21.569) 22.685 4.643 ( 0.476 11.263 1.138) 11.330 4.962 ( 8.088 -11.568 4.113) 14.702 5.138 ( -8.681 -0.540 9.041) 12.545 5.386 ( 6.943 0.237 1.484) 7.104 5.591 ( 2.577 -0.470 4.187) 4.939 5.683 ( -17.450 1.080 -16.451) 24.006 5.878 ( -4.257 4.521 -5.532) 8.316 6.079 ( -12.378 3.670 -9.995) 16.328 6.299 ( 3.299 4.056 -3.527) 6.306 6.675 ( -0.092 -4.857 -4.067) 6.336 6.742 ( 0.835 -8.703 1.900) 8.947 7.066 ( 3.248 0.961 -11.921) 12.393 7.206 ( 18.133 9.387 10.203) 22.826 7.582 ( 14.143 -4.653 8.702) 17.245 7.702 ( 10.669 -0.663 -1.558) 10.803 8.075 ( 15.253 -2.811 -2.756) 15.752 9.001 ( -0.873 2.293 14.156) 14.367 9.601 ( 12.127 -6.990 2.335) 14.191 9.965 ( -10.629 1.771 -8.671) 13.830 10.202 ( -3.454 -1.842 -8.230) 9.114 10.872 ( 8.429 9.448 5.786) 13.921 11.120 ( 6.970 7.987 -3.019) 11.022 11.722 ( -1.260 1.445 9.123) 9.322 11.904 ( -0.276 0.931 -2.449) 2.634 12.139 ( -3.058 1.687 -9.186) 9.827 12.416 ( -4.696 -5.560 -7.627) 10.542 12.683 ( 0.900 -4.352 -5.005) 6.693 12.742 ( 0.596 -3.357 -7.196) 7.963 13.862 ( -0.347 1.473 15.726) 15.799 14.322 ( -10.323 -0.570 10.145) 14.485 14.442 ( -4.700 13.324 7.279) 15.894 14.614 ( -0.852 -5.958 4.550) 7.545 14.686 ( -4.084 -6.063 -3.218) 7.988 15.490 ( -18.324 6.120 -22.202) 29.431 16.169 ( 15.745 -4.371 13.568) 21.239 16.564 ( 7.875 -7.143 7.707) 13.131 16.702 ( 7.840 -6.045 5.363) 11.259 16.785 ( 14.875 -3.109 14.440) 20.963 17.843 ( 15.980 1.755 -15.947) 22.644 18.075 ( 19.113 -0.892 -18.921) 26.909 19.678 ( -5.611 0.974 10.702) 12.123 19.982 ( -11.755 -4.921 0.593) 12.757 20.268 ( -6.907 4.382 -2.119) 8.449 20.275 ( -8.540 5.237 -2.755) 10.390 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 4.353 2.757 4.362) 6.751 2.109 ( 6.290 4.248 4.342) 8.744 2.173 ( -5.192 -0.096 0.345) 5.204 2.235 ( -3.319 0.582 -4.232) 5.410 2.427 ( -0.476 1.564 3.094) 3.500 2.574 ( 0.116 3.694 2.668) 4.559 2.709 ( -1.236 4.816 2.448) 5.542 2.818 ( -4.313 -1.764 1.707) 4.963 2.964 ( 8.432 -12.405 -2.505) 15.207 3.111 ( 5.258 -4.963 2.829) 7.765 3.446 ( 0.542 -7.818 -4.228) 8.904 3.634 ( -6.784 -2.502 -0.073) 7.231 3.743 ( 8.217 -1.671 1.512) 8.521 3.847 ( 2.730 2.061 0.013) 3.421 3.978 ( 0.273 14.639 -0.188) 14.643 4.126 ( 11.327 6.174 10.349) 16.538 4.681 ( 3.576 11.386 -3.280) 12.377 4.936 ( -10.138 -0.109 6.697) 12.151 5.048 ( -9.821 -4.575 -7.230) 13.025 5.245 ( -10.373 -8.233 -13.359) 18.811 5.464 ( -8.779 -1.344 -18.389) 20.421 5.570 ( -7.816 -8.617 -2.336) 11.866 5.812 ( 10.053 5.771 4.185) 12.324 6.107 ( 8.284 11.087 7.482) 15.734 6.363 ( 1.770 13.632 -1.911) 13.878 6.604 ( -6.509 -4.005 -3.869) 8.566 6.804 ( 5.095 -9.704 6.377) 12.681 7.085 ( -1.102 0.599 -4.587) 4.755 7.531 ( 14.246 6.021 11.932) 19.534 7.852 ( 4.938 -0.360 2.993) 5.786 7.910 ( 16.303 -3.134 8.699) 18.742 8.301 ( 6.714 -2.524 3.400) 7.938 9.035 ( 4.804 3.356 5.592) 8.101 9.713 ( -12.798 2.415 -5.877) 14.289 9.825 ( 8.713 -6.715 -6.457) 12.756 10.139 ( -3.148 -3.208 -7.042) 8.354 11.053 ( 9.376 7.837 6.257) 13.729 11.266 ( 6.684 5.327 -0.997) 8.605 11.700 ( -0.233 -1.340 6.340) 6.484 11.909 ( 0.621 0.894 -2.878) 3.077 12.073 ( -3.409 3.125 -7.845) 9.107 12.301 ( -6.847 -2.404 -3.675) 8.134 12.697 ( 0.629 -4.916 -4.302) 6.563 12.749 ( -0.074 -3.932 -5.790) 7.000 13.866 ( 1.001 0.739 15.181) 15.232 14.135 ( -8.262 0.001 14.304) 16.518 14.406 ( 1.107 12.044 -0.341) 12.099 14.605 ( -0.072 -3.128 1.906) 3.664 14.610 ( -3.311 -6.646 -2.869) 7.960 15.128 ( -17.463 10.571 -19.314) 28.102 16.357 ( 4.888 -13.843 2.902) 14.965 16.568 ( -3.131 -11.048 -3.666) 12.054 17.045 ( 24.734 -1.044 20.147) 31.918 17.275 ( 28.357 -1.214 19.014) 34.163 18.052 ( 3.496 1.590 -5.881) 7.024 18.347 ( 6.098 -2.553 -8.593) 10.842 19.603 ( -0.642 1.740 3.844) 4.268 19.771 ( -7.381 -0.503 -3.400) 8.142 20.092 ( -10.058 4.486 -5.791) 12.442 20.107 ( -9.254 4.188 -6.301) 11.953 ======================= Grid point 202 (70/100) ======================= q-point: ( 0.44 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 1.326 8.144 -3.018) 8.786 2.068 ( -4.822 9.478 -3.875) 11.318 2.179 ( 1.959 -2.552 1.510) 3.554 2.213 ( -0.564 -3.765 0.281) 3.817 2.470 ( 5.431 0.209 5.919) 8.036 2.573 ( -2.106 2.764 3.499) 4.931 2.692 ( -0.821 5.072 4.994) 7.165 2.711 ( -3.978 1.518 5.234) 6.748 3.108 ( 6.018 -13.928 1.499) 15.247 3.180 ( -0.128 -9.613 7.235) 12.032 3.436 ( 0.989 -9.367 -5.390) 10.852 3.509 ( -5.534 -5.990 -0.584) 8.176 3.868 ( 2.215 6.405 2.640) 7.274 3.924 ( -1.292 13.387 1.212) 13.504 4.081 ( 19.328 -0.192 -9.546) 21.558 4.451 ( 13.660 1.712 -8.069) 15.958 4.571 ( -20.718 -3.298 -9.474) 23.018 4.762 ( -10.128 2.926 -3.887) 11.236 4.799 ( 7.423 10.501 -2.276) 13.060 5.067 ( -18.248 4.729 -11.541) 22.103 5.348 ( 5.387 -11.870 -5.121) 14.005 5.464 ( -5.414 -11.683 -4.059) 13.501 6.110 ( 15.701 5.129 2.868) 16.765 6.257 ( 5.530 8.119 3.992) 10.604 6.350 ( -2.968 19.112 0.720) 19.355 6.428 ( -10.415 -2.183 -1.535) 10.752 6.922 ( 6.222 -6.262 6.459) 10.938 7.030 ( -4.295 -1.929 2.475) 5.319 7.761 ( 8.847 2.965 10.257) 13.866 7.874 ( -2.414 1.076 7.045) 7.524 8.192 ( 11.141 -3.081 9.190) 14.767 8.335 ( -3.022 -2.818 8.269) 9.244 9.194 ( 10.868 4.110 -2.769) 11.944 9.442 ( -13.628 3.884 -6.704) 15.676 9.975 ( 6.025 -6.066 -5.980) 10.433 10.071 ( -3.908 -4.707 -6.352) 8.819 11.225 ( 7.503 6.440 5.819) 11.473 11.325 ( -1.605 5.583 3.137) 6.602 11.755 ( 6.024 -5.492 -1.022) 8.215 11.883 ( -4.837 -4.886 -6.176) 9.242 12.050 ( 2.650 6.889 -1.435) 7.519 12.157 ( -7.123 3.572 0.142) 7.970 12.714 ( 1.126 -5.060 -4.375) 6.784 12.737 ( -1.034 -4.603 -4.865) 6.777 13.908 ( 3.330 0.125 14.987) 15.353 13.997 ( -5.694 0.004 15.194) 16.225 14.469 ( 4.254 2.969 -5.019) 7.218 14.543 ( -3.252 -6.142 -3.453) 7.760 14.645 ( 4.768 5.864 -2.665) 8.013 14.822 ( -12.815 13.058 -12.723) 22.285 16.431 ( 3.340 -15.027 -0.344) 15.398 16.499 ( -3.547 -13.756 -2.337) 14.397 17.548 ( 24.099 0.562 16.768) 29.364 17.820 ( 22.776 -2.790 14.295) 27.035 17.954 ( -10.400 1.198 8.879) 13.727 18.259 ( -14.612 -3.453 6.849) 16.503 19.680 ( 8.018 2.814 -4.513) 9.622 19.750 ( 5.016 2.827 -10.530) 12.001 19.879 ( -11.046 3.668 -7.215) 13.694 19.912 ( -9.905 3.894 -10.367) 14.858 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 0.000 2.999 7.941) 8.488 1.820 ( 0.000 -0.494 7.164) 7.181 2.078 ( 0.000 1.320 5.263) 5.426 2.244 ( 0.000 -5.392 4.875) 7.269 2.372 ( 0.000 5.839 1.960) 6.160 2.724 ( 0.000 -1.073 -2.107) 2.365 2.728 ( 0.000 1.405 -5.355) 5.536 2.786 ( 0.000 0.736 -6.150) 6.194 2.883 ( 0.000 2.659 -10.316) 10.653 3.094 ( 0.000 -8.424 -3.592) 9.158 3.210 ( 0.000 18.316 -1.272) 18.360 3.709 ( 0.000 -4.770 -6.198) 7.822 3.714 ( 0.000 6.840 6.582) 9.492 3.923 ( 0.000 4.379 -4.525) 6.297 4.260 ( 0.000 3.770 25.629) 25.905 4.486 ( 0.000 7.126 11.963) 13.924 4.636 ( 0.000 -8.989 12.264) 15.205 4.723 ( 0.000 4.653 12.039) 12.907 5.091 ( 0.000 0.117 6.768) 6.769 5.417 ( 0.000 -2.355 17.385) 17.544 5.587 ( 0.000 9.426 3.070) 9.913 5.897 ( 0.000 -1.805 -12.791) 12.918 6.027 ( 0.000 -8.602 7.201) 11.219 6.254 ( 0.000 -4.623 -0.943) 4.719 6.613 ( 0.000 4.797 -3.858) 6.156 6.633 ( 0.000 0.311 -11.186) 11.190 6.638 ( 0.000 -3.512 -8.022) 8.757 6.784 ( 0.000 2.517 -11.842) 12.107 7.006 ( 0.000 8.375 -12.030) 14.659 7.196 ( 0.000 -2.066 -11.138) 11.328 7.270 ( 0.000 -6.262 1.430) 6.423 7.432 ( 0.000 -9.526 -3.776) 10.248 9.140 ( 0.000 -0.883 15.806) 15.830 9.142 ( 0.000 -1.235 18.913) 18.953 10.189 ( 0.000 2.006 -4.849) 5.248 10.288 ( 0.000 -2.166 -8.240) 8.520 10.978 ( 0.000 15.103 3.353) 15.471 11.223 ( 0.000 8.243 -6.534) 10.519 11.822 ( 0.000 4.264 5.889) 7.270 11.917 ( 0.000 0.428 -2.171) 2.212 12.239 ( 0.000 2.375 -8.676) 8.995 12.373 ( 0.000 -6.724 -6.626) 9.440 12.531 ( 0.000 -5.952 -5.683) 8.229 12.602 ( 0.000 -7.788 -6.988) 10.464 13.980 ( 0.000 8.097 12.693) 15.056 14.444 ( 0.000 -11.135 7.463) 13.405 14.561 ( 0.000 -1.698 -3.518) 3.907 14.627 ( 0.000 -6.119 2.991) 6.811 15.014 ( 0.000 17.860 13.284) 22.258 15.607 ( 0.000 -2.945 15.946) 16.215 15.966 ( 0.000 -1.999 2.314) 3.058 16.057 ( 0.000 -4.326 21.859) 22.283 16.657 ( 0.000 -2.883 -16.267) 16.521 16.735 ( 0.000 -1.851 -17.866) 17.962 17.310 ( 0.000 2.098 -16.457) 16.590 17.421 ( 0.000 -2.490 -17.434) 17.611 19.862 ( 0.000 3.184 11.432) 11.867 20.087 ( 0.000 -6.837 3.323) 7.602 20.502 ( 0.000 3.848 2.250) 4.457 20.552 ( 0.000 1.373 1.566) 2.082 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 2.706 2.806 8.668) 9.504 1.891 ( 5.626 -1.324 5.396) 7.907 2.113 ( 3.008 0.069 5.103) 5.924 2.273 ( 1.950 -6.987 2.137) 7.562 2.437 ( 6.520 8.189 1.787) 10.619 2.682 ( -2.866 0.823 -6.620) 7.260 2.699 ( -2.470 -1.394 -1.212) 3.084 2.787 ( -0.202 2.430 -2.727) 3.658 2.883 ( -1.504 1.462 -11.067) 11.264 3.090 ( -0.488 -9.191 -4.744) 10.355 3.244 ( 2.557 14.072 3.878) 14.818 3.672 ( -2.002 -2.291 -0.418) 3.071 3.746 ( 1.218 1.254 0.045) 1.749 3.930 ( 0.519 6.325 -1.734) 6.578 4.248 ( -1.702 7.520 24.657) 25.835 4.333 ( -8.935 10.781 10.981) 17.795 4.646 ( 1.825 -9.158 6.594) 11.432 4.765 ( 3.298 2.533 3.393) 5.367 5.193 ( 7.319 1.139 10.478) 12.832 5.395 ( -5.003 -2.060 14.659) 15.625 5.563 ( -2.005 6.433 0.648) 6.769 5.847 ( -1.480 0.317 -3.913) 4.195 6.063 ( 4.560 -8.733 4.282) 10.742 6.106 ( -12.539 -6.090 -7.900) 16.022 6.465 ( -13.726 3.345 -12.682) 18.985 6.630 ( -3.275 1.146 -9.098) 9.737 6.665 ( -0.642 -0.471 -6.109) 6.160 6.876 ( 12.565 -2.851 -5.636) 14.063 7.089 ( 12.215 8.095 -6.209) 15.915 7.300 ( 6.164 -2.704 5.416) 8.639 7.426 ( 13.787 -1.808 -7.707) 15.898 7.632 ( 17.071 -7.230 -4.667) 19.117 9.086 ( -1.616 2.306 17.191) 17.421 9.252 ( 7.113 -5.299 13.328) 16.010 10.149 ( -4.183 1.970 -5.789) 7.409 10.244 ( -4.031 -2.054 -8.338) 9.486 11.014 ( 3.575 14.186 3.386) 15.017 11.235 ( 1.324 7.502 -5.649) 9.484 11.812 ( -1.060 4.136 5.447) 6.921 11.917 ( -0.082 0.378 -2.172) 2.206 12.232 ( -0.669 3.144 -8.412) 9.005 12.347 ( -2.207 -6.171 -5.812) 8.760 12.542 ( 0.841 -6.610 -5.336) 8.536 12.607 ( 0.424 -7.702 -6.371) 10.004 13.976 ( -0.456 8.177 12.548) 14.984 14.440 ( -0.507 -11.034 6.832) 12.987 14.486 ( -6.804 -0.782 1.899) 7.107 14.600 ( -2.781 -6.228 -0.040) 6.821 14.927 ( -6.452 18.611 11.172) 22.646 15.653 ( 0.564 -9.955 5.433) 11.355 16.002 ( 6.333 6.918 6.786) 11.577 16.226 ( 12.707 -2.683 17.139) 21.504 16.506 ( -5.626 -5.038 -3.539) 8.340 16.631 ( -8.913 -6.764 -13.413) 17.467 17.535 ( 18.150 2.729 -18.489) 26.053 17.654 ( 18.861 -2.012 -19.335) 27.086 19.820 ( -4.060 3.094 10.840) 11.982 20.030 ( -5.581 -6.343 3.412) 9.112 20.465 ( -3.691 3.796 1.294) 5.450 20.501 ( -4.892 2.140 0.755) 5.392 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 6.512 0.852 6.674) 9.364 2.009 ( 5.696 -2.514 3.566) 7.175 2.172 ( 2.593 0.948 4.841) 5.573 2.315 ( 2.682 -3.278 -0.205) 4.240 2.550 ( 2.430 4.948 -2.369) 6.000 2.612 ( -3.373 2.224 0.176) 4.044 2.684 ( -1.172 -5.190 -4.729) 7.118 2.763 ( -1.130 0.242 -3.669) 3.847 2.820 ( -2.763 0.818 -2.677) 3.933 3.095 ( 1.025 -5.141 -4.967) 7.221 3.273 ( 0.871 4.025 7.812) 8.831 3.613 ( -4.486 -9.370 -2.951) 10.800 3.781 ( 1.509 5.904 1.672) 6.319 3.839 ( -8.462 1.833 10.963) 13.969 4.227 ( 0.376 9.237 18.365) 20.561 4.327 ( 8.840 22.291 -6.304) 24.794 4.735 ( 6.925 -7.092 1.733) 10.062 4.841 ( 2.815 4.686 -0.304) 5.474 5.219 ( -10.459 2.802 8.274) 13.627 5.301 ( 3.402 -2.140 -2.518) 4.742 5.519 ( -3.978 -6.055 -0.314) 7.252 5.704 ( -17.293 -0.957 -11.977) 21.057 5.929 ( -3.537 1.237 -7.974) 8.811 6.140 ( -2.757 -5.648 -2.781) 6.873 6.277 ( 5.536 1.397 10.032) 11.543 6.544 ( -2.914 -8.090 -0.026) 8.599 6.723 ( 3.986 8.151 -5.070) 10.394 7.057 ( 5.206 -3.009 -7.917) 9.942 7.413 ( 16.322 7.697 3.905) 18.463 7.489 ( 13.734 -2.786 9.272) 16.804 7.698 ( 12.709 1.891 -2.653) 13.120 7.985 ( 16.289 -5.886 -2.801) 17.544 9.079 ( 1.166 5.249 12.509) 13.616 9.418 ( 9.482 -9.622 6.081) 14.814 10.017 ( -9.036 2.988 -8.253) 12.597 10.151 ( -4.979 -2.894 -7.988) 9.848 11.112 ( 6.024 11.712 3.366) 13.594 11.281 ( 3.478 5.477 -3.763) 7.500 11.775 ( -2.798 3.680 4.080) 6.166 11.912 ( -0.620 -0.426 -2.361) 2.478 12.210 ( -1.718 4.098 -7.120) 8.393 12.305 ( -1.563 -3.158 -3.767) 5.158 12.556 ( 0.483 -7.499 -4.162) 8.590 12.615 ( 0.316 -7.689 -4.878) 9.112 13.963 ( -0.733 8.185 12.289) 14.783 14.324 ( -8.807 1.223 7.634) 11.719 14.421 ( -1.489 -10.599 5.542) 12.053 14.525 ( -4.378 -7.480 -0.896) 8.713 14.830 ( -2.361 20.434 5.857) 21.388 15.582 ( -7.119 -2.574 -10.225) 12.722 16.027 ( -4.284 -3.995 -2.278) 6.285 16.405 ( -4.529 -10.638 -6.576) 13.301 16.579 ( 17.388 -1.119 16.854) 24.242 16.716 ( 22.382 -3.940 19.084) 29.676 17.895 ( 16.164 3.165 -15.797) 22.822 18.038 ( 17.677 -2.695 -17.382) 24.937 19.719 ( -5.282 2.973 8.251) 10.239 19.884 ( -8.249 -4.375 2.449) 9.653 20.359 ( -6.959 3.646 -1.364) 7.974 20.370 ( -8.117 3.262 -1.601) 8.894 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 7.484 -0.137 3.216) 8.146 2.084 ( 2.007 -3.573 1.630) 4.410 2.239 ( 4.383 5.608 1.934) 7.375 2.352 ( -0.934 4.749 -1.342) 5.022 2.506 ( -4.669 4.529 0.495) 6.523 2.585 ( -1.744 -5.578 1.055) 5.939 2.635 ( 1.155 -5.101 0.516) 5.256 2.723 ( -2.111 -4.855 -1.282) 5.447 2.853 ( 3.333 0.973 2.424) 4.235 3.115 ( 0.820 -1.873 -2.024) 2.877 3.271 ( -3.003 -3.168 5.431) 6.968 3.488 ( -8.060 -8.365 2.790) 11.946 3.745 ( 3.723 1.154 0.174) 3.901 3.814 ( 3.132 -2.209 -0.476) 3.862 4.350 ( 10.593 14.241 6.078) 18.761 4.461 ( 0.090 25.222 -5.241) 25.761 4.845 ( -2.453 -4.534 -0.445) 5.174 4.876 ( 3.797 1.875 -5.068) 6.604 5.037 ( -4.481 2.711 -1.185) 5.370 5.188 ( -20.223 2.059 -19.928) 28.467 5.339 ( -0.430 -6.513 -11.600) 13.310 5.516 ( -9.874 0.729 -5.371) 11.264 5.842 ( 1.971 -3.781 1.321) 4.464 6.138 ( 0.884 -10.756 1.332) 10.874 6.471 ( 6.977 2.529 10.234) 12.642 6.579 ( 9.483 -5.921 11.649) 16.146 6.777 ( 0.509 12.614 -0.709) 12.644 7.089 ( -1.570 -0.962 -3.098) 3.604 7.670 ( 10.871 5.055 9.642) 15.385 7.809 ( 15.327 -4.201 8.754) 18.144 7.901 ( 7.664 5.005 2.701) 9.544 8.219 ( 6.621 -5.398 3.612) 9.274 9.151 ( 6.455 7.804 3.352) 10.668 9.612 ( 9.446 -11.347 -0.637) 14.777 9.810 ( -11.253 4.966 -10.205) 15.982 10.049 ( -5.429 -5.175 -7.853) 10.859 11.243 ( 7.044 8.818 3.024) 11.684 11.373 ( 5.568 3.519 -2.430) 7.021 11.703 ( -4.114 2.058 2.229) 5.111 11.877 ( -3.455 -3.373 -4.048) 6.301 12.176 ( -0.824 5.267 -2.688) 5.971 12.288 ( -0.634 2.830 -1.186) 3.134 12.562 ( 0.265 -7.892 -3.098) 8.483 12.616 ( -0.294 -7.874 -3.406) 8.584 13.953 ( -0.050 7.571 12.096) 14.270 14.160 ( -7.416 2.838 10.928) 13.509 14.384 ( -1.940 -9.591 3.773) 10.487 14.440 ( -3.980 -8.859 0.123) 9.713 14.848 ( 4.046 21.255 -0.487) 21.642 15.395 ( -11.033 12.718 -15.396) 22.814 15.972 ( -0.317 -19.926 -0.051) 19.929 16.256 ( -7.774 -17.483 -7.943) 20.717 17.064 ( 27.057 2.735 20.604) 34.119 17.225 ( 27.416 -3.429 18.813) 33.426 18.102 ( 3.033 3.131 -5.449) 6.978 18.273 ( 4.198 -4.234 -7.031) 9.219 19.657 ( 0.264 3.153 1.595) 3.543 19.757 ( -2.914 -1.001 -2.719) 4.109 20.185 ( -10.400 3.713 -4.649) 11.982 20.194 ( -9.529 3.380 -5.105) 11.326 ======================= Grid point 211 (75/100) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 5.688 1.683 0.017) 5.932 2.133 ( 3.198 -0.102 0.711) 3.278 2.263 ( -4.169 6.218 -2.282) 7.826 2.267 ( -4.284 6.722 -2.323) 8.303 2.479 ( 3.970 -0.488 5.075) 6.461 2.575 ( -2.963 -2.281 5.194) 6.400 2.659 ( 1.504 -7.062 2.447) 7.624 2.690 ( -1.080 -3.586 2.673) 4.601 2.945 ( 6.271 -0.391 4.627) 7.804 3.084 ( -6.225 0.896 8.693) 10.729 3.212 ( 1.817 -10.494 -1.150) 10.712 3.321 ( -7.894 -9.644 3.447) 12.931 3.967 ( 13.600 2.185 -7.863) 15.860 4.000 ( 17.652 -0.866 -9.424) 20.028 4.274 ( -13.198 10.594 -9.232) 19.279 4.475 ( -24.377 -4.240 -11.721) 27.378 4.622 ( 12.731 13.733 -1.478) 18.785 4.872 ( -11.467 8.061 -4.804) 14.817 5.050 ( 9.177 8.819 -9.207) 15.708 5.137 ( 8.195 -2.331 -3.833) 9.342 5.259 ( -9.784 2.446 -7.426) 12.524 5.289 ( -8.104 3.884 -8.586) 12.429 5.977 ( 8.182 -15.265 1.928) 17.427 6.106 ( -4.279 -17.816 -0.643) 18.334 6.597 ( 7.082 10.629 10.957) 16.828 6.727 ( -5.003 14.272 5.640) 16.141 6.818 ( 11.390 -2.873 9.200) 14.920 7.003 ( -7.001 -1.083 3.294) 7.812 7.851 ( 7.149 5.071 9.429) 12.873 7.937 ( -0.924 5.546 7.584) 9.441 8.102 ( 10.670 -5.274 9.552) 15.261 8.246 ( -3.429 -5.606 8.738) 10.934 9.330 ( 11.044 8.778 -4.777) 14.894 9.564 ( -12.046 7.470 -7.695) 16.129 9.797 ( 7.725 -10.471 -6.706) 14.639 9.934 ( -6.216 -8.009 -7.530) 12.629 11.380 ( 6.416 7.288 2.270) 9.972 11.459 ( 0.527 6.114 -0.166) 6.139 11.655 ( 1.602 -3.844 -1.561) 4.448 11.766 ( -7.134 -5.817 -5.015) 10.483 12.198 ( 2.758 7.340 1.352) 7.956 12.258 ( -2.595 6.479 1.370) 7.113 12.575 ( 1.174 -8.025 -2.760) 8.567 12.601 ( -1.202 -7.926 -2.722) 8.466 13.971 ( 2.020 6.080 12.069) 13.664 14.038 ( -4.788 4.326 12.011) 13.634 14.359 ( -0.298 -9.263 2.210) 9.527 14.377 ( -2.140 -9.249 1.210) 9.570 14.977 ( 8.528 21.237 -6.492) 23.788 15.172 ( -10.915 19.513 -12.002) 25.376 16.010 ( 3.852 -23.623 -2.415) 24.057 16.114 ( -6.404 -21.610 -5.435) 23.185 17.585 ( 24.303 2.988 16.118) 29.314 17.752 ( 24.193 -3.776 14.514) 28.464 17.989 ( -13.416 2.484 8.047) 15.840 18.166 ( -14.366 -5.000 6.762) 16.646 19.752 ( 8.809 3.562 -5.530) 10.994 19.804 ( 7.095 1.753 -8.789) 11.431 19.964 ( -11.522 3.744 -6.902) 13.943 19.991 ( -10.565 2.875 -8.609) 13.928 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 0.000 -2.862 2.901) 4.075 1.775 ( 0.000 2.862 2.901) 4.075 2.124 ( 0.000 -4.128 7.100) 8.212 2.124 ( 0.000 4.128 7.100) 8.212 2.600 ( 0.000 -11.517 5.551) 12.784 2.600 ( 0.000 11.517 5.551) 12.784 2.755 ( 0.000 -1.478 -3.659) 3.946 2.755 ( 0.000 1.478 -3.659) 3.946 2.954 ( 0.000 -4.292 -11.894) 12.645 2.954 ( 0.000 4.292 -11.894) 12.645 3.496 ( 0.000 -11.387 -3.648) 11.957 3.496 ( 0.000 11.387 -3.648) 11.957 3.935 ( 0.000 -7.409 0.317) 7.416 3.935 ( 0.000 7.409 0.317) 7.416 4.409 ( 0.000 -10.229 15.574) 18.633 4.409 ( 0.000 10.229 15.574) 18.633 4.677 ( 0.000 -8.357 6.999) 10.900 4.677 ( 0.000 8.357 6.999) 10.900 5.220 ( 0.000 -10.789 18.620) 21.519 5.220 ( 0.000 10.789 18.620) 21.519 5.835 ( 0.000 -4.128 -1.049) 4.259 5.835 ( 0.000 4.128 -1.049) 4.259 6.012 ( 0.000 -12.245 -0.296) 12.248 6.012 ( 0.000 12.245 -0.296) 12.248 6.618 ( 0.000 -0.851 -13.760) 13.786 6.618 ( 0.000 0.851 -13.760) 13.786 6.768 ( 0.000 -5.309 -2.771) 5.988 6.768 ( 0.000 5.309 -2.771) 5.988 7.163 ( 0.000 -1.602 -11.721) 11.830 7.163 ( 0.000 1.602 -11.721) 11.830 7.227 ( 0.000 -7.702 -2.224) 8.017 7.227 ( 0.000 7.702 -2.224) 8.017 9.129 ( 0.000 -0.002 17.700) 17.700 9.129 ( 0.000 0.002 17.700) 17.700 10.238 ( 0.000 -2.492 -6.068) 6.560 10.238 ( 0.000 2.492 -6.068) 6.560 11.236 ( 0.000 -7.247 -1.168) 7.340 11.236 ( 0.000 7.247 -1.168) 7.340 11.904 ( 0.000 -2.777 0.329) 2.797 11.904 ( 0.000 2.777 0.329) 2.797 12.285 ( 0.000 -1.624 -6.746) 6.939 12.285 ( 0.000 1.624 -6.746) 6.939 12.471 ( 0.000 -2.467 -5.347) 5.889 12.471 ( 0.000 2.467 -5.347) 5.889 14.197 ( 0.000 -11.747 9.074) 14.843 14.197 ( 0.000 11.747 9.074) 14.843 14.550 ( 0.000 -1.193 -0.175) 1.206 14.550 ( 0.000 1.193 -0.175) 1.206 15.394 ( 0.000 -16.362 10.527) 19.456 15.394 ( 0.000 16.362 10.527) 19.456 15.972 ( 0.000 -2.985 19.368) 19.597 15.972 ( 0.000 2.985 19.368) 19.597 16.673 ( 0.000 -3.181 -21.117) 21.356 16.673 ( 0.000 3.181 -21.117) 21.356 17.363 ( 0.000 -2.797 -17.153) 17.380 17.363 ( 0.000 2.797 -17.153) 17.380 19.955 ( 0.000 -5.515 8.000) 9.717 19.955 ( 0.000 5.515 8.000) 9.717 20.556 ( 0.000 -1.133 2.043) 2.336 20.556 ( 0.000 1.133 2.043) 2.336 ======================= Grid point 218 (77/100) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 3.547 -4.627 2.929) 6.525 1.815 ( 3.547 4.627 2.929) 6.525 2.154 ( 2.795 -3.789 6.435) 7.973 2.154 ( 2.795 3.789 6.435) 7.973 2.620 ( 0.948 -6.731 -0.439) 6.812 2.620 ( 0.948 6.731 -0.439) 6.812 2.745 ( -0.321 -4.345 -0.011) 4.357 2.745 ( -0.321 4.345 -0.011) 4.357 2.931 ( -2.283 -4.168 -8.561) 9.792 2.931 ( -2.283 4.168 -8.561) 9.792 3.481 ( -1.873 -10.142 -3.260) 10.817 3.481 ( -1.873 10.142 -3.260) 10.817 3.926 ( -0.976 -6.710 2.972) 7.404 3.926 ( -0.976 6.710 2.972) 7.404 4.422 ( -0.315 -9.417 17.829) 20.165 4.422 ( -0.315 9.417 17.829) 20.165 4.658 ( 2.786 -12.815 -2.964) 13.446 4.658 ( 2.786 12.815 -2.964) 13.446 5.270 ( 1.840 -6.474 17.670) 18.908 5.270 ( 1.840 6.474 17.670) 18.908 5.768 ( -6.692 -8.677 -4.423) 11.817 5.768 ( -6.692 8.677 -4.423) 11.817 5.974 ( -1.463 -4.630 1.707) 5.147 5.974 ( -1.463 4.630 1.707) 5.147 6.561 ( -8.983 -4.802 -11.780) 15.573 6.561 ( -8.983 4.802 -11.780) 15.573 6.768 ( 4.685 -6.289 -5.585) 9.628 6.768 ( 4.685 6.289 -5.585) 9.628 7.232 ( 10.484 -5.106 -0.686) 11.681 7.232 ( 10.484 5.106 -0.686) 11.681 7.475 ( 17.307 -6.572 -6.123) 19.499 7.475 ( 17.307 6.572 -6.123) 19.499 9.152 ( 2.296 -3.985 15.780) 16.437 9.152 ( 2.296 3.985 15.780) 16.437 10.196 ( -4.062 -2.370 -6.682) 8.171 10.196 ( -4.062 2.370 -6.682) 8.171 11.251 ( 1.493 -6.352 -1.124) 6.622 11.251 ( 1.493 6.352 -1.124) 6.622 11.898 ( -0.762 -3.110 0.213) 3.209 11.898 ( -0.762 3.110 0.213) 3.209 12.278 ( -0.479 -0.965 -5.830) 5.928 12.278 ( -0.479 0.965 -5.830) 5.928 12.475 ( 0.256 -2.882 -4.990) 5.768 12.475 ( 0.256 2.882 -4.990) 5.768 14.193 ( -0.378 -11.747 8.754) 14.655 14.193 ( -0.378 11.747 8.754) 14.655 14.503 ( -4.515 -2.673 0.855) 5.316 14.503 ( -4.515 2.673 0.855) 5.316 15.336 ( -4.101 -18.827 8.231) 20.953 15.336 ( -4.101 18.827 8.231) 20.953 16.141 ( 13.996 -5.782 16.903) 22.694 16.141 ( 13.996 5.782 16.903) 22.694 16.502 ( -11.546 -4.400 -14.168) 18.799 16.502 ( -11.546 4.400 -14.168) 18.799 17.598 ( 18.677 -3.066 -18.910) 26.754 17.598 ( 18.677 3.066 -18.910) 26.754 19.908 ( -4.524 -5.138 7.569) 10.206 19.908 ( -4.524 5.138 7.569) 10.206 20.516 ( -3.990 -0.847 1.188) 4.248 20.516 ( -3.990 0.847 1.188) 4.248 ======================= Grid point 220 (78/100) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 4.895 -5.766 2.620) 8.005 1.900 ( 4.895 5.766 2.620) 8.005 2.233 ( 5.229 -3.933 4.910) 8.181 2.233 ( 5.229 3.933 4.910) 8.181 2.600 ( -2.770 -1.776 -4.561) 5.624 2.600 ( -2.770 1.776 -4.561) 5.624 2.720 ( -3.764 -3.717 -3.236) 6.201 2.720 ( -3.764 3.717 -3.236) 6.201 2.911 ( 1.494 -7.958 1.314) 8.203 2.911 ( 1.494 7.958 1.314) 8.203 3.428 ( -3.043 -7.998 -2.551) 8.929 3.428 ( -3.043 7.998 -2.551) 8.929 3.852 ( -6.725 -1.104 9.808) 11.944 3.852 ( -6.725 1.104 9.808) 11.944 4.464 ( 6.811 -10.346 4.645) 13.229 4.464 ( 6.811 10.346 4.645) 13.229 4.818 ( 10.420 -11.446 -5.872) 16.555 4.818 ( 10.420 11.446 -5.872) 16.555 5.218 ( -6.804 -6.980 8.977) 13.252 5.218 ( -6.804 6.980 8.977) 13.252 5.582 ( -11.073 -10.022 -9.846) 17.888 5.582 ( -11.073 10.022 -9.846) 17.888 5.977 ( -1.489 -4.599 -1.560) 5.080 5.977 ( -1.489 4.599 -1.560) 5.080 6.393 ( -2.297 -6.471 3.271) 7.606 6.393 ( -2.297 6.471 3.271) 7.606 6.921 ( 7.642 -9.103 -3.849) 12.493 6.921 ( 7.642 9.103 -3.849) 12.493 7.471 ( 12.832 -1.052 4.859) 13.762 7.471 ( 12.832 1.052 4.859) 13.762 7.829 ( 16.564 -8.530 -2.993) 18.870 7.829 ( 16.564 8.530 -2.993) 18.870 9.223 ( 5.085 -8.393 9.763) 13.843 9.223 ( 5.085 8.393 9.763) 13.843 10.085 ( -6.961 -3.331 -7.971) 11.095 10.085 ( -6.961 3.331 -7.971) 11.095 11.296 ( 3.092 -4.516 -1.017) 5.567 11.296 ( 3.092 4.516 -1.017) 5.567 11.866 ( -2.705 -4.111 -0.480) 4.945 11.866 ( -2.705 4.111 -0.480) 4.945 12.277 ( 0.642 -3.681 -3.566) 5.165 12.277 ( 0.642 3.681 -3.566) 5.165 12.478 ( -0.062 -3.696 -3.574) 5.142 12.478 ( -0.062 3.696 -3.574) 5.142 14.180 ( -0.967 -11.622 8.102) 14.200 14.180 ( -0.967 11.622 8.102) 14.200 14.388 ( -6.517 -5.003 3.182) 8.810 14.388 ( -6.517 5.003 3.182) 8.810 15.283 ( -0.575 -21.080 3.422) 21.364 15.283 ( -0.575 21.080 3.422) 21.364 16.148 ( -12.379 -11.775 -13.037) 21.491 16.148 ( -12.379 11.775 -13.037) 21.491 16.628 ( 22.973 -4.043 20.193) 30.852 16.628 ( 22.973 4.043 20.193) 30.852 17.969 ( 16.623 -3.610 -16.247) 23.523 17.969 ( 16.623 3.610 -16.247) 23.523 19.795 ( -5.977 -4.051 5.367) 8.997 19.795 ( -5.977 4.051 5.367) 8.997 20.402 ( -7.354 -0.280 -1.194) 7.455 20.402 ( -7.354 0.280 -1.194) 7.455 ======================= Grid point 222 (79/100) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 6.068 -3.508 1.074) 7.091 2.008 ( 6.068 3.508 1.074) 7.091 2.350 ( 5.782 -5.291 3.921) 8.764 2.350 ( 5.782 5.291 3.921) 8.764 2.506 ( -6.401 -2.814 -3.963) 8.037 2.506 ( -6.401 2.814 -3.963) 8.037 2.652 ( -1.928 -3.636 1.955) 4.556 2.652 ( -1.928 3.636 1.955) 4.556 2.954 ( 2.234 -8.261 0.990) 8.614 2.954 ( 2.234 8.261 0.990) 8.614 3.339 ( -7.267 -5.667 2.285) 9.495 3.339 ( -7.267 5.667 2.285) 9.495 3.774 ( 2.600 -1.612 0.710) 3.141 3.774 ( 2.600 1.612 0.710) 3.141 4.642 ( 7.075 -11.914 1.752) 13.967 4.642 ( 7.075 11.914 1.752) 13.967 4.880 ( -9.559 -9.009 -12.160) 17.900 4.880 ( -9.559 9.009 -12.160) 17.900 5.099 ( -0.063 -8.017 -5.319) 9.621 5.099 ( -0.063 8.017 -5.319) 9.621 5.426 ( -1.743 -10.436 -4.262) 11.407 5.426 ( -1.743 10.436 -4.262) 11.407 5.858 ( -8.442 -10.594 -5.519) 14.627 5.858 ( -8.442 10.594 -5.519) 14.627 6.516 ( 11.400 -1.417 14.838) 18.766 6.516 ( 11.400 1.417 14.838) 18.766 7.005 ( 0.348 -7.653 -0.022) 7.661 7.005 ( 0.348 7.653 -0.022) 7.661 7.733 ( 13.138 -2.646 8.826) 16.047 7.733 ( 13.138 2.646 8.826) 16.047 8.070 ( 6.943 -8.644 3.125) 11.519 8.070 ( 6.943 8.644 3.125) 11.519 9.360 ( 8.664 -11.695 0.747) 14.573 9.360 ( 8.664 11.695 0.747) 14.573 9.929 ( -8.591 -5.968 -8.904) 13.737 9.929 ( -8.591 5.968 -8.904) 13.737 11.377 ( 5.193 -3.319 -1.120) 6.264 11.377 ( 5.193 3.319 -1.120) 6.264 11.784 ( -5.625 -4.949 -1.650) 7.671 11.784 ( -5.625 4.949 -1.650) 7.671 12.309 ( 2.576 -6.586 -0.896) 7.128 12.309 ( 2.576 6.586 -0.896) 7.128 12.468 ( -1.063 -4.615 -1.390) 4.935 12.468 ( -1.063 4.615 -1.390) 4.935 14.158 ( -1.084 -11.048 7.518) 13.407 14.158 ( -1.084 11.048 7.518) 13.407 14.265 ( -5.528 -7.086 5.280) 10.424 14.265 ( -5.528 7.086 5.280) 10.424 15.322 ( 4.511 -21.206 -1.509) 21.733 15.322 ( 4.511 21.206 -1.509) 21.733 15.893 ( -12.684 -14.614 -11.176) 22.347 15.893 ( -12.684 14.614 -11.176) 22.347 17.142 ( 27.293 -4.181 19.611) 33.868 17.142 ( 27.293 4.181 19.611) 33.868 18.181 ( 3.109 -4.273 -5.884) 7.909 18.181 ( 3.109 4.273 -5.884) 7.909 19.720 ( -0.248 -2.556 -0.752) 2.676 19.720 ( -0.248 2.556 -0.752) 2.676 20.229 ( -9.990 -0.254 -4.467) 10.946 20.229 ( -9.990 0.254 -4.467) 10.946 ======================= Grid point 224 (80/100) ======================= q-point: ( 0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 7.899 -0.726 -0.764) 7.969 2.146 ( 7.899 0.726 -0.764) 7.969 2.313 ( -8.356 -1.121 -2.201) 8.713 2.313 ( -8.356 1.121 -2.201) 8.713 2.509 ( 5.762 -5.613 5.065) 9.505 2.509 ( 5.762 5.613 5.065) 9.505 2.608 ( -3.525 -4.338 5.649) 7.947 2.608 ( -3.525 4.338 5.649) 7.947 3.019 ( 5.031 -6.517 1.583) 8.384 3.019 ( 5.031 6.517 1.583) 8.384 3.161 ( -9.008 -5.239 4.407) 11.315 3.161 ( -9.008 5.239 4.407) 11.315 3.987 ( 17.496 -0.675 -10.426) 20.378 3.987 ( 17.496 0.675 -10.426) 20.379 4.403 ( -22.528 -3.369 -11.770) 25.639 4.403 ( -22.528 3.369 -11.770) 25.639 4.916 ( 8.631 -11.944 -5.611) 15.768 4.916 ( 8.631 11.944 -5.611) 15.768 5.059 ( -5.173 -8.392 -6.187) 11.639 5.059 ( -5.173 8.392 -6.187) 11.639 5.515 ( 8.115 -16.105 -1.999) 18.144 5.515 ( 8.115 16.105 -1.999) 18.144 5.686 ( -8.758 -15.298 -3.581) 17.988 5.686 ( -8.758 15.298 -3.581) 17.988 6.753 ( 11.404 -4.612 11.988) 17.177 6.753 ( 11.404 4.612 11.988) 17.177 6.938 ( -6.777 -6.032 5.941) 10.844 6.938 ( -6.777 6.032 5.941) 10.844 7.967 ( 9.904 -5.803 9.859) 15.132 7.967 ( 9.904 5.803 9.859) 15.132 8.102 ( -3.159 -7.620 8.219) 11.645 8.102 ( -3.159 7.620 8.219) 11.645 9.551 ( 10.151 -11.667 -6.047) 16.605 9.551 ( 10.151 11.667 -6.047) 16.605 9.748 ( -9.587 -9.140 -8.663) 15.827 9.748 ( -9.587 9.140 -8.663) 15.827 11.501 ( 7.182 -3.417 -1.662) 8.125 11.501 ( 7.182 3.417 -1.662) 8.125 11.650 ( -7.517 -4.437 -2.111) 8.980 11.650 ( -7.517 4.437 -2.111) 8.980 12.371 ( 3.389 -7.133 0.673) 7.926 12.371 ( 3.389 7.133 0.673) 7.926 12.432 ( -2.555 -5.996 0.393) 6.529 12.432 ( -2.555 5.996 0.393) 6.529 14.148 ( 0.348 -10.009 7.033) 12.238 14.148 ( 0.348 10.009 7.033) 12.238 14.180 ( -2.967 -8.734 6.442) 11.251 14.180 ( -2.967 8.734 6.442) 11.251 15.455 ( 8.647 -19.689 -5.472) 22.189 15.455 ( 8.647 19.689 -5.472) 22.189 15.654 ( -11.236 -17.355 -8.506) 22.356 15.654 ( -11.236 17.355 -8.506) 22.356 17.665 ( 24.476 -4.285 15.278) 29.169 17.665 ( 24.476 4.285 15.278) 29.169 18.063 ( -14.363 -4.468 7.132) 16.647 18.063 ( -14.363 4.468 7.132) 16.647 19.808 ( 8.553 -1.401 -6.982) 11.129 19.808 ( 8.553 1.401 -6.982) 11.129 20.015 ( -11.271 -0.747 -7.316) 13.458 20.015 ( -11.271 0.747 -7.316) 13.458 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 0.000 0.000 11.196) 11.196 2.117 ( 0.000 0.000 18.044) 18.044 2.118 ( 0.000 0.000 14.080) 14.080 2.148 ( 0.000 0.000 -12.589) 12.589 2.301 ( 0.000 0.000 -5.392) 5.392 2.437 ( 0.000 0.000 -13.500) 13.500 2.663 ( 0.000 0.000 0.560) 0.560 2.690 ( 0.000 0.000 -2.480) 2.480 2.756 ( 0.000 0.000 2.807) 2.807 2.925 ( 0.000 0.000 -12.851) 12.851 2.978 ( 0.000 0.000 6.705) 6.705 3.140 ( 0.000 0.000 -9.196) 9.196 4.110 ( 0.000 0.000 7.975) 7.975 4.150 ( 0.000 0.000 0.805) 0.805 4.489 ( 0.000 0.000 4.561) 4.561 4.503 ( 0.000 0.000 3.599) 3.599 5.044 ( 0.000 0.000 17.867) 17.867 5.163 ( 0.000 0.000 21.236) 21.236 5.241 ( 0.000 0.000 -5.651) 5.651 5.286 ( 0.000 0.000 23.480) 23.480 5.542 ( 0.000 0.000 -13.060) 13.060 5.857 ( 0.000 0.000 -2.769) 2.769 6.040 ( 0.000 0.000 7.015) 7.015 6.106 ( 0.000 0.000 -14.732) 14.732 6.334 ( 0.000 0.000 -18.267) 18.267 6.366 ( 0.000 0.000 -18.719) 18.719 6.603 ( 0.000 0.000 3.323) 3.323 6.730 ( 0.000 0.000 -7.556) 7.556 6.773 ( 0.000 0.000 16.466) 16.466 7.052 ( 0.000 0.000 -11.128) 11.128 7.547 ( 0.000 0.000 3.531) 3.531 7.602 ( 0.000 0.000 -2.126) 2.126 9.423 ( 0.000 0.000 9.853) 9.853 9.470 ( 0.000 0.000 6.780) 6.780 10.065 ( 0.000 0.000 -2.837) 2.837 10.109 ( 0.000 0.000 -8.217) 8.217 10.665 ( 0.000 0.000 4.751) 4.751 10.753 ( 0.000 0.000 -3.914) 3.914 11.938 ( 0.000 0.000 2.464) 2.464 11.981 ( 0.000 0.000 14.904) 14.904 12.033 ( 0.000 0.000 -6.802) 6.802 12.295 ( 0.000 0.000 -15.631) 15.631 12.599 ( 0.000 0.000 -2.338) 2.338 12.610 ( 0.000 0.000 -3.567) 3.567 14.193 ( 0.000 0.000 14.970) 14.970 14.454 ( 0.000 0.000 -10.612) 10.612 14.835 ( 0.000 0.000 4.546) 4.546 14.901 ( 0.000 0.000 -2.024) 2.024 14.950 ( 0.000 0.000 23.124) 23.124 15.454 ( 0.000 0.000 -25.995) 25.995 16.060 ( 0.000 0.000 23.132) 23.132 16.473 ( 0.000 0.000 -16.531) 16.531 16.625 ( 0.000 0.000 22.914) 22.914 16.868 ( 0.000 0.000 3.987) 3.987 17.011 ( 0.000 0.000 -10.184) 10.184 17.078 ( 0.000 0.000 -21.432) 21.432 20.065 ( 0.000 0.000 9.669) 9.669 20.220 ( 0.000 0.000 -5.831) 5.831 20.402 ( 0.000 0.000 2.070) 2.070 20.441 ( 0.000 0.000 -1.727) 1.727 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 4.982 0.000 11.315) 12.364 2.113 ( 3.625 0.000 5.713) 6.766 2.168 ( 4.125 0.000 16.430) 16.940 2.265 ( 2.899 0.000 -6.828) 7.418 2.289 ( 4.578 0.000 -4.301) 6.282 2.442 ( -0.341 0.000 -10.269) 10.275 2.672 ( 0.787 0.000 2.082) 2.226 2.738 ( 4.425 0.000 -4.632) 6.406 2.809 ( 5.850 0.000 4.052) 7.116 2.980 ( 1.107 0.000 5.081) 5.200 2.993 ( 6.556 0.000 -12.653) 14.251 3.120 ( -0.855 0.000 -8.786) 8.827 4.058 ( -4.787 0.000 6.203) 7.835 4.110 ( -4.056 0.000 0.420) 4.077 4.348 ( -11.352 0.000 11.703) 16.304 4.482 ( -3.261 0.000 -1.441) 3.565 4.920 ( -10.932 0.000 25.986) 28.192 5.226 ( 4.819 0.000 14.916) 15.675 5.255 ( 1.355 0.000 -8.603) 8.709 5.313 ( 2.934 0.000 13.686) 13.997 5.511 ( -3.579 0.000 -8.614) 9.328 5.805 ( -8.091 0.000 -23.467) 24.823 5.831 ( -16.231 0.000 5.199) 17.044 6.093 ( 3.990 0.000 14.175) 14.726 6.117 ( -14.766 0.000 -17.006) 22.522 6.500 ( 8.159 0.000 -20.331) 21.907 6.675 ( 6.776 0.000 2.015) 7.070 6.772 ( 3.725 0.000 -5.815) 6.906 7.014 ( 18.904 0.000 15.481) 24.434 7.280 ( 17.238 0.000 -10.666) 20.271 7.606 ( 6.435 0.000 5.588) 8.522 7.708 ( 10.598 0.000 -4.594) 11.551 9.369 ( -3.617 0.000 13.694) 14.164 9.534 ( 4.041 0.000 -0.208) 4.047 10.010 ( -5.071 0.000 -1.373) 5.254 10.092 ( -1.423 0.000 -7.830) 7.958 10.724 ( 5.841 0.000 4.873) 7.607 10.812 ( 5.812 0.000 -3.748) 6.915 11.917 ( -1.963 0.000 2.248) 2.984 11.978 ( -0.327 0.000 14.565) 14.569 12.012 ( -2.112 0.000 -6.868) 7.185 12.283 ( -1.259 0.000 -15.072) 15.125 12.616 ( 1.662 0.000 -2.115) 2.690 12.628 ( 1.608 0.000 -3.395) 3.756 14.186 ( -0.620 0.000 14.687) 14.700 14.436 ( -1.820 0.000 -9.475) 9.648 14.802 ( -2.994 0.000 3.241) 4.413 14.803 ( -12.485 0.000 21.388) 24.766 14.838 ( -5.535 0.000 -0.600) 5.568 15.280 ( -15.159 0.000 -25.160) 29.374 16.234 ( 14.408 0.000 20.338) 24.924 16.554 ( 5.450 0.000 -10.734) 12.038 16.781 ( 15.120 0.000 23.342) 27.811 16.897 ( 3.656 0.000 7.089) 7.976 17.131 ( 12.213 0.000 -15.563) 19.783 17.248 ( 16.044 0.000 -22.440) 27.585 20.019 ( -4.575 0.000 9.776) 10.794 20.179 ( -4.037 0.000 -6.253) 7.443 20.337 ( -6.586 0.000 0.842) 6.640 20.350 ( -8.626 0.000 -0.427) 8.637 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -3.075 0.000 6.580) 7.263 2.117 ( -5.419 0.000 -5.170) 7.489 2.231 ( 1.643 0.000 12.002) 12.114 2.375 ( 9.697 0.000 4.523) 10.700 2.406 ( -3.115 0.000 -5.294) 6.142 2.453 ( 8.417 0.000 -1.837) 8.616 2.678 ( -0.311 0.000 5.274) 5.283 2.812 ( 1.687 0.000 -6.748) 6.955 2.984 ( 10.772 0.000 4.817) 11.800 3.062 ( 7.195 0.000 2.376) 7.577 3.161 ( 9.394 0.000 -11.197) 14.616 3.174 ( 6.877 0.000 -8.702) 11.092 3.946 ( -5.585 0.000 3.868) 6.794 4.006 ( -5.464 0.000 -1.095) 5.573 4.106 ( -11.270 0.000 17.219) 20.579 4.396 ( -4.865 0.000 -9.408) 10.592 4.685 ( -11.581 0.000 29.353) 31.555 5.222 ( -8.402 0.000 3.476) 9.092 5.223 ( -6.626 0.000 -21.569) 22.564 5.387 ( -13.652 0.000 -13.299) 19.059 5.415 ( 6.741 0.000 8.343) 10.726 5.563 ( -1.699 0.000 19.766) 19.839 5.653 ( -3.783 0.000 -15.045) 15.513 5.932 ( -3.636 0.000 -16.484) 16.880 6.183 ( 3.104 0.000 20.055) 20.294 6.572 ( -1.065 0.000 -15.889) 15.924 6.850 ( 9.565 0.000 -1.491) 9.681 6.870 ( 6.321 0.000 -1.926) 6.608 7.396 ( 18.287 0.000 13.186) 22.545 7.610 ( 14.910 0.000 -7.804) 16.829 7.817 ( 14.279 0.000 8.736) 16.739 7.986 ( 15.943 0.000 -7.738) 17.721 9.287 ( -4.657 0.000 15.247) 15.942 9.576 ( -1.475 0.000 -12.278) 12.367 9.913 ( -2.831 0.000 6.061) 6.689 10.064 ( -1.156 0.000 -7.722) 7.808 10.885 ( 9.933 0.000 5.211) 11.217 10.972 ( 9.894 0.000 -3.351) 10.446 11.868 ( -2.846 0.000 1.556) 3.243 11.955 ( -3.396 0.000 -6.847) 7.643 11.968 ( -0.583 0.000 13.612) 13.625 12.245 ( -2.572 0.000 -13.267) 13.514 12.657 ( 2.171 0.000 -1.909) 2.891 12.664 ( 1.878 0.000 -2.783) 3.357 14.172 ( -0.608 0.000 13.725) 13.739 14.383 ( -3.373 0.000 -5.672) 6.599 14.540 ( -12.754 0.000 16.755) 21.057 14.719 ( -5.651 0.000 0.785) 5.705 14.732 ( -3.698 0.000 0.602) 3.747 14.940 ( -17.795 0.000 -22.236) 28.480 16.487 ( 8.561 0.000 9.709) 12.944 16.627 ( 1.895 0.000 -4.872) 5.227 17.074 ( 15.476 0.000 17.044) 23.021 17.184 ( 24.331 0.000 23.225) 33.637 17.458 ( 19.085 0.000 -19.448) 27.249 17.651 ( 22.908 0.000 -22.523) 32.126 19.890 ( -8.111 0.000 9.699) 12.644 20.062 ( -7.706 0.000 -7.286) 10.605 20.107 ( -14.726 0.000 2.677) 14.968 20.163 ( -11.161 0.000 -2.744) 11.493 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -5.574 0.000 1.441) 5.757 1.979 ( -7.648 0.000 -5.233) 9.267 2.243 ( 0.049 0.000 6.587) 6.588 2.337 ( -3.404 0.000 -2.776) 4.393 2.536 ( 6.628 0.000 6.598) 9.352 2.604 ( 5.952 0.000 0.933) 6.025 2.675 ( 0.385 0.000 6.980) 6.991 2.809 ( -1.518 0.000 -4.762) 4.998 3.182 ( 8.143 0.000 3.674) 8.934 3.213 ( 6.462 0.000 0.527) 6.484 3.316 ( 5.176 0.000 -8.368) 9.839 3.318 ( 5.225 0.000 -9.031) 10.433 3.873 ( -1.132 0.000 4.305) 4.452 3.951 ( 1.116 0.000 -2.826) 3.038 3.969 ( -1.366 0.000 14.547) 14.611 4.305 ( -4.217 0.000 -16.649) 17.175 4.491 ( -7.259 0.000 24.072) 25.143 4.984 ( -13.099 0.000 3.399) 13.533 4.991 ( -15.027 0.000 -24.592) 28.820 5.060 ( -14.850 0.000 -2.154) 15.005 5.550 ( 6.408 0.000 5.377) 8.365 5.667 ( 2.963 0.000 -5.557) 6.298 5.673 ( 7.699 0.000 9.100) 11.920 5.907 ( -0.325 0.000 -12.471) 12.475 6.216 ( 1.172 0.000 14.993) 15.039 6.497 ( -5.581 0.000 -11.778) 13.034 6.994 ( 6.102 0.000 2.013) 6.426 7.021 ( 6.517 0.000 -1.439) 6.674 7.710 ( 13.009 0.000 9.742) 16.252 7.847 ( 8.709 0.000 -3.691) 9.459 8.122 ( 15.161 0.000 8.521) 17.391 8.279 ( 12.394 0.000 -6.294) 13.900 9.196 ( -3.859 0.000 11.893) 12.503 9.455 ( -9.179 0.000 -13.191) 16.070 9.930 ( 3.336 0.000 5.372) 6.324 10.050 ( -0.380 0.000 -5.962) 5.974 11.094 ( 10.490 0.000 5.425) 11.810 11.176 ( 9.717 0.000 -2.581) 10.054 11.816 ( -2.108 0.000 0.101) 2.110 11.884 ( -3.563 0.000 -6.404) 7.329 11.960 ( 0.013 0.000 11.550) 11.550 12.178 ( -4.220 0.000 -9.599) 10.486 12.692 ( 1.324 0.000 -1.572) 2.056 12.698 ( 1.402 0.000 -2.344) 2.731 14.168 ( 0.279 0.000 11.952) 11.956 14.309 ( -3.923 0.000 0.149) 3.926 14.333 ( -7.463 0.000 9.420) 12.018 14.608 ( -15.084 0.000 -17.191) 22.870 14.632 ( -2.984 0.000 -0.163) 2.988 14.664 ( -3.022 0.000 -1.507) 3.376 16.579 ( 2.195 0.000 3.199) 3.879 16.640 ( -0.284 0.000 -2.805) 2.819 17.465 ( 21.606 0.000 19.241) 28.932 17.697 ( 26.228 0.000 20.567) 33.330 17.816 ( 15.342 0.000 -14.733) 21.271 18.091 ( 19.823 0.000 -17.622) 26.523 19.720 ( -8.195 0.000 7.770) 11.292 19.798 ( -15.349 0.000 4.076) 15.881 19.883 ( -9.975 0.000 -8.017) 12.797 19.913 ( -13.625 0.000 -6.717) 15.191 ======================= Grid point 256 (85/100) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -2.190 0.000 -1.511) 2.661 1.849 ( -4.490 0.000 -3.692) 5.813 2.249 ( 0.862 0.000 1.852) 2.043 2.280 ( -2.254 0.000 -1.118) 2.516 2.641 ( 3.701 0.000 6.439) 7.427 2.672 ( 0.822 0.000 3.906) 3.992 2.703 ( 2.417 0.000 5.931) 6.405 2.761 ( -3.074 0.000 1.022) 3.239 3.299 ( 4.100 0.000 -0.184) 4.104 3.301 ( 3.044 0.000 -3.984) 5.014 3.348 ( -1.379 0.000 -7.829) 7.949 3.352 ( -1.014 0.000 -4.727) 4.835 3.915 ( 4.646 0.000 7.897) 9.163 3.988 ( -0.680 0.000 3.177) 3.248 4.047 ( 7.781 0.000 2.998) 8.338 4.206 ( -6.733 0.000 -12.365) 14.079 4.458 ( 5.693 0.000 4.298) 7.133 4.684 ( -14.888 0.000 -15.337) 21.375 4.793 ( -4.096 0.000 5.142) 6.574 4.837 ( -7.500 0.000 1.366) 7.624 5.656 ( 4.065 0.000 3.330) 5.255 5.701 ( -0.215 0.000 -0.673) 0.707 5.809 ( 5.554 0.000 0.711) 5.600 5.886 ( -2.243 0.000 -6.372) 6.756 6.266 ( 4.215 0.000 4.525) 6.184 6.375 ( -6.310 0.000 -5.690) 8.497 7.087 ( 2.961 0.000 2.504) 3.877 7.102 ( 1.620 0.000 0.924) 1.865 7.901 ( 6.117 0.000 5.529) 8.245 7.948 ( 1.377 0.000 0.912) 1.652 8.369 ( 8.738 0.000 5.386) 10.264 8.435 ( 2.526 0.000 -0.582) 2.592 9.166 ( 1.701 0.000 3.364) 3.769 9.272 ( -8.265 0.000 -6.391) 10.448 9.999 ( 3.022 0.000 0.802) 3.126 10.039 ( -1.057 0.000 -2.811) 3.004 11.269 ( 6.267 0.000 4.187) 7.537 11.310 ( 2.676 0.000 0.273) 2.690 11.794 ( 0.153 0.000 -2.372) 2.376 11.822 ( -2.493 0.000 -4.946) 5.539 11.987 ( 3.187 0.000 5.795) 6.613 12.080 ( -5.446 0.000 -3.025) 6.230 12.711 ( 0.615 0.000 -1.518) 1.637 12.715 ( 0.270 0.000 -1.937) 1.956 14.187 ( 1.750 0.000 9.289) 9.453 14.237 ( -3.185 0.000 5.463) 6.323 14.264 ( 0.752 0.000 -0.156) 0.768 14.364 ( -9.111 0.000 -9.740) 13.337 14.601 ( -0.278 0.000 -1.668) 1.691 14.616 ( -1.718 0.000 -2.262) 2.841 16.608 ( 1.042 0.000 0.756) 1.287 16.627 ( -0.888 0.000 -1.092) 1.408 17.847 ( 15.080 0.000 11.858) 19.184 17.995 ( 1.159 0.000 -2.206) 2.492 18.164 ( 18.924 0.000 13.159) 23.049 18.344 ( 2.819 0.000 -3.451) 4.456 19.575 ( -4.504 0.000 -1.296) 4.687 19.616 ( -0.976 0.000 1.176) 1.528 19.656 ( -10.778 0.000 -8.224) 13.558 19.694 ( -7.994 0.000 -6.061) 10.032 ======================= Grid point 261 (86/100) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 0.000 -1.500 8.744) 8.872 2.006 ( 0.000 -5.943 0.718) 5.986 2.134 ( 0.000 1.497 8.339) 8.473 2.281 ( 0.000 7.350 3.187) 8.012 2.292 ( 0.000 1.222 -3.105) 3.337 2.503 ( 0.000 5.682 -11.097) 12.467 2.621 ( 0.000 -5.235 -0.708) 5.283 2.678 ( 0.000 -1.834 -4.693) 5.038 2.890 ( 0.000 -1.216 3.968) 4.150 2.900 ( 0.000 12.601 5.005) 13.558 3.111 ( 0.000 0.549 -3.465) 3.509 3.223 ( 0.000 17.884 -11.610) 21.323 3.978 ( 0.000 -10.408 5.822) 11.926 4.024 ( 0.000 -9.906 -0.265) 9.909 4.559 ( 0.000 2.519 5.221) 5.797 4.559 ( 0.000 3.685 4.141) 5.543 5.043 ( 0.000 1.650 18.248) 18.322 5.081 ( 0.000 -4.455 14.250) 14.930 5.288 ( 0.000 1.065 22.905) 22.929 5.347 ( 0.000 8.059 0.971) 8.117 5.573 ( 0.000 2.039 -14.626) 14.767 5.837 ( 0.000 -1.981 0.812) 2.141 6.062 ( 0.000 -3.952 -15.757) 16.245 6.153 ( 0.000 6.484 3.186) 7.225 6.349 ( 0.000 1.070 -14.994) 15.033 6.406 ( 0.000 4.191 -11.507) 12.246 6.590 ( 0.000 0.262 0.649) 0.700 6.676 ( 0.000 -4.894 -5.426) 7.307 6.779 ( 0.000 0.874 11.361) 11.394 7.022 ( 0.000 -2.480 -11.413) 11.679 7.484 ( 0.000 -5.690 3.537) 6.700 7.541 ( 0.000 -5.680 -2.284) 6.122 9.422 ( 0.000 -0.038 10.014) 10.014 9.461 ( 0.000 -0.704 7.500) 7.533 10.070 ( 0.000 0.494 -3.132) 3.171 10.111 ( 0.000 0.168 -8.030) 8.032 10.784 ( 0.000 10.452 4.637) 11.434 10.875 ( 0.000 10.499 -4.473) 11.413 11.922 ( 0.000 -1.266 1.925) 2.304 11.949 ( 0.000 -2.077 5.812) 6.172 12.074 ( 0.000 2.986 0.662) 3.059 12.280 ( 0.000 -1.391 -12.673) 12.749 12.558 ( 0.000 -3.768 -2.007) 4.270 12.579 ( 0.000 -3.079 -4.277) 5.270 14.192 ( 0.000 0.398 14.459) 14.464 14.444 ( 0.000 -0.705 -10.195) 10.219 14.758 ( 0.000 -6.828 4.403) 8.124 14.811 ( 0.000 -7.044 -0.461) 7.059 15.065 ( 0.000 9.584 20.569) 22.692 15.523 ( 0.000 5.931 -23.447) 24.186 16.075 ( 0.000 1.297 21.749) 21.787 16.463 ( 0.000 -1.096 -15.043) 15.083 16.594 ( 0.000 -3.261 21.146) 21.396 16.773 ( 0.000 -8.231 4.259) 9.268 16.988 ( 0.000 -1.562 -12.000) 12.102 17.070 ( 0.000 -0.871 -20.234) 20.252 20.044 ( 0.000 -1.304 8.333) 8.434 20.171 ( 0.000 -3.485 -4.414) 5.624 20.457 ( 0.000 4.316 2.225) 4.856 20.495 ( 0.000 3.875 -1.395) 4.118 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.11 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 5.411 -3.818 9.262) 11.386 2.044 ( 2.724 -4.011 2.635) 5.518 2.181 ( 3.596 -1.249 3.235) 4.995 2.275 ( -1.104 2.451 -5.228) 5.878 2.350 ( 6.358 6.987 7.057) 11.791 2.556 ( 4.695 4.661 -10.041) 12.025 2.626 ( 0.504 -5.489 -0.578) 5.542 2.677 ( 0.093 -2.178 -4.751) 5.227 2.830 ( -2.195 2.310 5.972) 6.769 2.938 ( -0.152 1.736 -3.451) 3.866 3.167 ( 7.388 9.379 2.287) 12.156 3.322 ( 8.852 18.122 -10.989) 22.968 3.923 ( -4.983 -10.643 4.913) 12.738 3.965 ( -5.698 -10.062 -0.246) 11.566 4.430 ( -10.454 5.613 12.505) 17.239 4.569 ( -0.909 4.451 0.206) 4.547 4.915 ( -8.464 -0.022 19.064) 20.859 5.011 ( -5.607 -8.321 10.005) 14.170 5.254 ( -3.015 -2.065 4.237) 5.595 5.504 ( 10.956 10.789 4.559) 16.038 5.579 ( -3.475 2.940 -7.834) 9.060 5.727 ( -12.984 -3.100 0.680) 13.366 5.920 ( -6.695 4.607 -14.278) 16.429 6.020 ( -11.938 -3.908 -5.377) 13.664 6.247 ( -0.377 8.505 3.140) 9.074 6.515 ( 6.365 0.318 -13.345) 14.789 6.660 ( 6.665 -0.522 -2.987) 7.323 6.699 ( 2.833 -6.014 -3.541) 7.532 7.030 ( 19.339 1.470 11.434) 22.514 7.257 ( 17.746 -1.766 -10.226) 20.557 7.554 ( 7.374 -4.655 5.787) 10.466 7.662 ( 11.715 -4.266 -4.832) 13.371 9.376 ( -3.144 0.696 13.364) 13.747 9.517 ( 3.687 -1.480 1.764) 4.347 10.013 ( -5.468 0.363 -2.278) 5.935 10.086 ( -2.193 -0.569 -7.835) 8.156 10.837 ( 5.227 9.857 4.639) 12.083 10.924 ( 4.901 9.641 -4.105) 11.568 11.900 ( -2.101 -1.253 2.593) 3.565 11.942 ( -0.851 -2.091 3.253) 3.960 12.062 ( -1.072 3.408 1.891) 4.042 12.266 ( -1.335 -1.491 -12.056) 12.221 12.576 ( 1.670 -3.741 -1.910) 4.520 12.596 ( 1.530 -3.115 -3.974) 5.276 14.184 ( -0.802 0.295 14.193) 14.219 14.425 ( -1.936 -0.815 -9.103) 9.342 14.730 ( -2.661 -6.444 3.197) 7.670 14.755 ( -5.119 -6.021 1.053) 7.972 14.928 ( -11.392 9.940 18.516) 23.904 15.360 ( -14.052 7.054 -23.022) 27.879 16.220 ( 11.111 -1.802 17.931) 21.171 16.503 ( 1.790 -5.059 -9.917) 11.275 16.718 ( 12.042 -5.114 18.716) 22.835 16.825 ( 7.644 -5.873 9.797) 13.744 17.132 ( 14.586 0.679 -15.319) 21.163 17.262 ( 16.847 0.554 -20.553) 26.581 19.996 ( -4.732 -1.390 8.214) 9.581 20.120 ( -5.130 -3.845 -4.159) 7.642 20.398 ( -5.861 4.650 1.247) 7.584 20.421 ( -7.192 4.777 -0.928) 8.684 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.22 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 1.636 -0.800 7.133) 7.362 2.104 ( 2.939 -2.640 1.735) 4.315 2.212 ( -1.166 2.675 -0.576) 2.974 2.245 ( -1.221 -3.432 -2.303) 4.310 2.483 ( 4.598 5.503 6.899) 9.951 2.608 ( 0.734 5.679 -1.676) 5.967 2.685 ( 3.497 -5.437 -4.328) 7.779 2.694 ( 2.924 -7.384 -3.170) 8.551 2.852 ( 4.922 -2.063 3.141) 6.193 2.942 ( 2.618 -1.730 -5.635) 6.450 3.360 ( 9.405 13.050 4.709) 16.761 3.520 ( 8.985 18.340 -9.899) 22.695 3.823 ( -3.596 -9.559 2.422) 10.497 3.833 ( -5.626 -7.571 0.878) 9.473 4.198 ( -11.107 5.451 17.469) 21.407 4.525 ( -4.268 8.442 -11.319) 14.751 4.676 ( -12.505 -0.876 26.722) 29.517 5.017 ( 3.903 -10.763 0.496) 11.460 5.203 ( -2.229 -6.564 -5.587) 8.904 5.285 ( -19.667 -1.462 -18.749) 27.212 5.406 ( -16.134 -2.850 6.600) 17.663 5.609 ( -13.401 0.600 -13.111) 18.757 5.820 ( 10.341 10.813 12.958) 19.792 6.033 ( 7.553 7.368 -6.271) 12.274 6.314 ( 3.567 10.709 9.669) 14.863 6.559 ( -1.424 -1.682 -9.834) 10.078 6.776 ( 6.065 -7.378 1.369) 9.649 6.840 ( 9.159 -0.446 -7.205) 11.662 7.420 ( 18.587 2.285 10.221) 21.334 7.600 ( 15.635 -0.726 -7.059) 17.170 7.779 ( 14.713 -3.335 9.227) 17.684 7.956 ( 16.454 -2.786 -7.902) 18.464 9.302 ( -4.258 1.557 14.906) 15.580 9.569 ( 0.181 -0.863 -9.423) 9.464 9.891 ( -5.167 -1.574 4.388) 6.959 10.039 ( -2.235 -2.249 -8.133) 8.729 10.980 ( 8.793 8.163 4.655) 12.870 11.059 ( 8.361 7.355 -3.290) 11.611 11.844 ( -3.463 -1.497 2.834) 4.718 11.910 ( -2.435 -2.098 -1.678) 3.626 12.043 ( -0.509 4.562 4.876) 6.697 12.232 ( -1.890 -1.030 -10.239) 10.463 12.613 ( 1.764 -3.968 -1.550) 4.611 12.631 ( 1.756 -3.192 -3.347) 4.947 14.164 ( -1.039 -0.023 13.430) 13.470 14.371 ( -3.376 -0.923 -5.555) 6.566 14.623 ( -8.155 -0.218 5.919) 10.079 14.659 ( -5.210 -5.339 0.556) 7.481 14.715 ( -7.327 6.316 10.110) 13.992 15.052 ( -15.553 9.667 -20.219) 27.279 16.379 ( 4.009 -10.609 7.843) 13.789 16.515 ( -0.560 -10.368 -5.846) 11.916 17.016 ( 19.426 -3.194 19.336) 27.594 17.157 ( 22.859 -2.434 17.039) 28.614 17.497 ( 20.349 3.017 -15.270) 25.620 17.667 ( 22.435 0.829 -20.662) 30.511 19.865 ( -8.136 -1.418 7.504) 11.158 19.969 ( -9.887 -4.053 -2.588) 10.994 20.229 ( -11.311 6.411 -1.082) 13.046 20.234 ( -10.699 5.426 -1.321) 12.069 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -3.028 7.626 2.231) 8.503 2.089 ( -4.954 8.311 -4.633) 10.728 2.195 ( 0.957 -2.897 3.524) 4.661 2.233 ( -0.336 -6.456 0.098) 6.465 2.538 ( 2.423 0.025 7.074) 7.478 2.633 ( 1.698 2.321 0.887) 3.009 2.718 ( 1.722 0.097 -1.172) 2.085 2.759 ( 0.477 -5.378 -4.817) 7.236 2.978 ( 8.183 -7.834 3.991) 12.011 3.085 ( 10.127 -5.924 -5.123) 12.802 3.436 ( -2.208 5.153 4.415) 7.136 3.563 ( -3.881 5.294 -6.216) 9.040 3.826 ( 3.868 -1.919 2.336) 4.909 3.846 ( 4.732 2.994 -0.437) 5.616 4.051 ( -3.340 4.129 12.408) 13.497 4.366 ( -9.139 2.753 -8.206) 12.587 4.530 ( -2.938 4.498 9.337) 10.773 4.878 ( -18.374 -5.470 -14.007) 23.743 5.017 ( -8.798 1.203 1.977) 9.097 5.116 ( -9.474 1.669 -9.370) 13.429 5.215 ( 1.369 -12.014 6.557) 13.755 5.405 ( -4.359 -12.455 -10.063) 16.595 6.035 ( 9.836 10.668 11.733) 18.661 6.187 ( 7.220 11.021 -1.964) 13.322 6.358 ( 1.117 15.633 3.754) 16.116 6.490 ( -4.880 1.021 -7.258) 8.805 6.913 ( 6.873 -6.427 4.268) 10.332 6.992 ( 5.647 -1.683 -4.122) 7.191 7.734 ( 12.753 2.473 8.016) 15.265 7.849 ( 9.184 0.405 -3.125) 9.709 8.092 ( 15.450 -2.829 9.010) 18.107 8.255 ( 12.505 -2.278 -6.397) 14.230 9.220 ( -3.501 2.315 11.703) 12.433 9.479 ( -8.377 2.191 -13.396) 15.951 9.868 ( 2.276 -5.530 6.126) 8.561 10.003 ( -1.409 -4.243 -6.684) 8.042 11.164 ( 9.257 5.871 4.513) 11.855 11.234 ( 8.499 4.731 -2.390) 10.016 11.770 ( -3.689 -2.782 2.212) 5.122 11.845 ( -4.011 -2.581 -4.933) 6.862 12.050 ( 1.296 6.300 6.050) 8.830 12.195 ( -1.928 1.501 -6.766) 7.194 12.639 ( 0.850 -4.480 -1.113) 4.694 12.657 ( 0.802 -3.671 -2.895) 4.744 14.149 ( -0.211 -0.387 12.179) 12.187 14.298 ( -3.758 -0.748 0.104) 3.833 14.461 ( -6.764 7.261 4.723) 10.990 14.536 ( -6.454 -4.339 -2.824) 8.274 14.640 ( -2.046 1.210 2.068) 3.151 14.787 ( -10.348 11.760 -13.195) 20.481 16.418 ( 0.914 -14.795 3.257) 15.177 16.490 ( -1.644 -13.703 -3.819) 14.320 17.449 ( 22.523 -0.702 18.711) 29.289 17.637 ( 23.913 -3.639 11.898) 26.956 17.876 ( 16.523 3.563 -6.698) 18.182 18.089 ( 18.389 -0.586 -15.888) 24.309 19.700 ( -7.489 -0.706 4.866) 8.959 19.752 ( -10.883 -1.779 -0.088) 11.027 19.985 ( -12.726 6.545 -3.615) 14.759 19.994 ( -13.198 5.980 -4.111) 15.062 ======================= Grid point 265 (90/100) ======================= q-point: ( 0.44 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( -1.473 10.970 -0.799) 11.097 1.988 ( -3.829 11.207 -3.045) 12.228 2.216 ( 0.836 -2.885 1.578) 3.393 2.227 ( -0.347 -3.962 0.510) 4.010 2.598 ( 3.533 -2.281 6.648) 7.867 2.654 ( -0.802 -0.067 3.741) 3.826 2.735 ( -0.421 -2.693 -2.931) 4.003 2.740 ( -0.462 -0.426 -1.032) 1.208 3.160 ( 9.335 -5.980 5.161) 12.229 3.290 ( 9.880 -3.502 -4.362) 11.354 3.329 ( -7.334 -0.839 4.057) 8.423 3.457 ( -6.627 1.577 -5.282) 8.620 3.915 ( 2.352 0.940 1.082) 2.754 3.953 ( 9.927 -4.886 -3.171) 11.510 3.982 ( -4.457 -1.550 6.691) 8.187 4.194 ( -11.629 -0.947 -13.276) 17.674 4.541 ( 5.679 6.028 4.482) 9.417 4.671 ( -3.631 4.123 -6.786) 8.731 4.821 ( -6.587 1.069 2.875) 7.266 4.893 ( -10.232 5.944 -4.991) 12.843 5.301 ( 4.526 -14.401 0.673) 15.110 5.365 ( -1.869 -14.696 -4.920) 15.610 6.208 ( 7.732 4.501 5.814) 10.670 6.294 ( 2.335 3.983 -1.260) 4.786 6.360 ( -1.079 24.374 0.618) 24.405 6.387 ( -4.329 10.790 -2.025) 11.801 7.023 ( 3.852 -4.827 3.273) 6.989 7.055 ( 0.717 -3.216 -0.049) 3.295 7.918 ( 5.722 1.914 4.996) 7.834 7.958 ( 1.736 1.270 1.104) 2.418 8.342 ( 8.870 -2.515 5.668) 10.823 8.411 ( 2.413 -2.331 -0.476) 3.388 9.196 ( 1.964 2.979 3.106) 4.731 9.303 ( -8.130 3.060 -6.711) 10.977 9.929 ( 3.032 -6.482 0.779) 7.198 9.975 ( -1.677 -5.862 -3.417) 6.989 11.321 ( 5.776 4.313 3.381) 7.962 11.357 ( 2.748 3.943 -0.109) 4.807 11.719 ( -0.566 -4.917 -0.718) 5.001 11.761 ( -4.024 -4.398 -4.729) 7.609 12.093 ( 2.893 7.534 3.812) 8.925 12.151 ( -2.631 5.593 -1.395) 6.337 12.652 ( 0.533 -4.929 -1.470) 5.171 12.661 ( -0.312 -4.512 -2.349) 5.096 14.166 ( 2.035 -0.536 9.942) 10.163 14.225 ( -3.584 -0.673 6.159) 7.157 14.381 ( -1.138 6.220 -2.594) 6.835 14.417 ( -4.645 1.123 -7.143) 8.594 14.620 ( 0.171 3.808 -0.363) 3.829 14.654 ( -3.590 8.096 -4.274) 9.834 16.434 ( 0.912 -15.903 0.640) 15.942 16.458 ( -1.486 -15.458 -1.679) 15.620 17.843 ( 15.461 0.060 11.497) 19.267 17.978 ( 4.768 -1.007 -0.838) 4.945 18.151 ( 13.659 -1.465 11.148) 17.691 18.307 ( 1.462 -3.273 -2.905) 4.614 19.614 ( -0.865 3.190 -2.234) 3.989 19.623 ( 0.830 1.756 -1.392) 2.390 19.739 ( -11.148 5.744 -5.191) 13.573 19.749 ( -10.234 4.578 -4.897) 12.234 ======================= Grid point 270 (91/100) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 0.000 -1.266 5.301) 5.450 1.898 ( 0.000 -3.836 1.112) 3.994 2.181 ( 0.000 3.031 5.907) 6.639 2.302 ( 0.000 -0.179 -1.590) 1.600 2.478 ( 0.000 6.951 3.856) 7.949 2.530 ( 0.000 0.379 -1.412) 1.462 2.594 ( 0.000 -2.767 -9.595) 9.986 2.646 ( 0.000 3.606 -5.803) 6.832 2.880 ( 0.000 0.500 3.582) 3.616 2.967 ( 0.000 -1.352 -5.274) 5.444 3.354 ( 0.000 11.978 9.839) 15.501 3.553 ( 0.000 5.914 -9.201) 10.938 3.802 ( 0.000 -1.015 3.063) 3.227 3.851 ( 0.000 -0.210 -2.416) 2.425 4.527 ( 0.000 -5.361 1.964) 5.710 4.539 ( 0.000 -6.110 -0.282) 6.117 5.046 ( 0.000 1.709 20.210) 20.282 5.123 ( 0.000 3.453 20.917) 21.200 5.372 ( 0.000 7.857 19.245) 20.787 5.571 ( 0.000 12.401 -4.010) 13.034 5.617 ( 0.000 2.659 -12.191) 12.477 5.762 ( 0.000 -5.490 9.768) 11.205 5.946 ( 0.000 -6.716 -14.307) 15.804 6.116 ( 0.000 -7.214 -11.632) 13.687 6.397 ( 0.000 -3.010 -1.729) 3.471 6.478 ( 0.000 -0.136 -7.208) 7.209 6.589 ( 0.000 3.990 1.767) 4.364 6.674 ( 0.000 4.608 -5.326) 7.043 6.845 ( 0.000 6.515 0.548) 6.538 6.975 ( 0.000 -1.150 -9.910) 9.976 7.329 ( 0.000 -8.352 2.878) 8.834 7.377 ( 0.000 -9.325 -2.109) 9.561 9.423 ( 0.000 0.173 10.186) 10.188 9.445 ( 0.000 -0.805 8.882) 8.918 10.086 ( 0.000 0.884 -4.032) 4.128 10.112 ( 0.000 -0.125 -7.115) 7.116 11.045 ( 0.000 12.494 3.342) 12.933 11.118 ( 0.000 10.377 -4.117) 11.163 11.901 ( 0.000 -0.392 0.594) 0.711 11.913 ( 0.000 -1.051 1.353) 1.713 12.144 ( 0.000 3.476 1.015) 3.621 12.243 ( 0.000 -1.933 -6.380) 6.666 12.453 ( 0.000 -5.529 -1.596) 5.755 12.479 ( 0.000 -5.933 -4.240) 7.292 14.234 ( 0.000 4.044 11.748) 12.424 14.439 ( 0.000 0.471 -8.177) 8.191 14.577 ( 0.000 -9.470 5.019) 10.718 14.643 ( 0.000 -8.022 -1.329) 8.132 15.322 ( 0.000 13.943 16.780) 21.816 15.651 ( 0.000 4.024 -12.857) 13.472 16.114 ( 0.000 2.817 14.027) 14.308 16.409 ( 0.000 -5.430 -14.251) 15.250 16.496 ( 0.000 -4.280 18.905) 19.383 16.578 ( 0.000 -8.612 6.338) 10.692 16.972 ( 0.000 0.374 -14.550) 14.554 17.041 ( 0.000 -1.843 -18.620) 18.711 20.032 ( 0.000 0.281 5.665) 5.672 20.102 ( 0.000 -2.814 -1.442) 3.162 20.545 ( 0.000 3.450 1.760) 3.873 20.566 ( 0.000 2.449 -0.209) 2.458 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.11 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 2.858 -1.828 6.156) 7.029 1.949 ( 4.260 -4.000 0.400) 5.857 2.209 ( 2.567 2.744 5.435) 6.607 2.313 ( 0.515 0.326 -0.306) 0.682 2.474 ( -1.903 -0.738 -2.965) 3.600 2.477 ( 0.619 0.008 -5.056) 5.094 2.643 ( 1.836 0.930 -2.280) 3.071 2.680 ( 1.585 2.503 -3.603) 4.665 2.868 ( -0.671 2.237 3.817) 4.475 2.963 ( 0.076 0.836 -5.674) 5.735 3.416 ( 4.500 5.839 9.703) 12.186 3.590 ( 1.393 -2.008 -6.778) 7.206 3.785 ( 0.053 3.568 2.744) 4.502 3.850 ( 2.129 7.345 -3.979) 8.621 4.513 ( -3.255 0.546 6.212) 7.034 4.578 ( 4.091 -3.284 0.742) 5.298 4.868 ( -9.774 -0.873 15.729) 18.539 4.978 ( -13.255 1.484 18.225) 22.584 5.280 ( -9.985 4.798 -4.225) 11.856 5.560 ( -10.674 -4.398 -14.346) 18.414 5.651 ( -2.076 2.279 8.483) 9.026 5.736 ( 2.151 4.571 10.951) 12.060 5.895 ( -5.609 -5.161 -9.576) 12.239 6.026 ( -2.505 1.270 -11.406) 11.746 6.373 ( 2.445 1.310 6.927) 7.462 6.531 ( 2.762 3.821 -5.730) 7.420 6.565 ( 0.216 -4.939 -0.108) 4.945 6.678 ( 5.665 0.532 -10.907) 12.302 7.085 ( 19.337 4.198 4.845) 20.372 7.236 ( 18.635 0.386 -9.141) 20.759 7.431 ( 10.063 -6.279 5.821) 13.213 7.538 ( 14.322 -7.116 -4.786) 16.693 9.398 ( -1.747 1.411 12.192) 12.397 9.478 ( 2.386 -2.095 5.939) 6.734 10.027 ( -5.784 0.928 -4.212) 7.215 10.070 ( -3.824 -0.873 -7.406) 8.380 11.079 ( 3.369 11.363 3.097) 12.250 11.145 ( 2.640 9.227 -3.577) 10.242 11.884 ( -1.696 0.085 1.389) 2.194 11.907 ( -0.750 -0.947 0.087) 1.211 12.142 ( -0.115 4.001 0.924) 4.108 12.231 ( -0.969 -1.483 -5.801) 6.066 12.470 ( 1.523 -5.783 -1.398) 6.142 12.495 ( 1.486 -6.028 -3.890) 7.326 14.224 ( -0.958 3.985 11.360) 12.077 14.417 ( -2.158 0.360 -7.209) 7.533 14.557 ( -1.930 -9.150 4.132) 10.223 14.604 ( -3.629 -7.387 -0.543) 8.248 15.202 ( -9.757 15.101 15.577) 23.788 15.527 ( -10.612 6.672 -14.841) 19.426 16.135 ( -1.012 -5.511 8.830) 10.458 16.340 ( -5.354 -10.014 -10.482) 15.454 16.625 ( 12.561 -2.358 16.825) 21.129 16.706 ( 14.961 -4.717 14.322) 21.241 17.163 ( 17.330 2.093 -15.487) 23.336 17.254 ( 18.001 -1.366 -18.991) 26.203 19.983 ( -4.784 0.255 5.490) 7.287 20.050 ( -5.191 -2.721 -1.209) 5.984 20.491 ( -5.332 3.620 1.153) 6.547 20.507 ( -5.865 2.954 -0.259) 6.572 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.22 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 3.908 -2.807 5.969) 7.667 2.035 ( 3.953 -4.100 -1.116) 5.804 2.254 ( 0.869 3.423 4.073) 5.391 2.322 ( 0.722 3.450 -0.491) 3.559 2.490 ( 3.312 -5.100 -3.393) 6.964 2.498 ( 1.330 -5.828 -6.559) 8.874 2.644 ( -1.011 1.378 1.053) 2.007 2.676 ( -1.329 0.322 -2.298) 2.674 2.878 ( 1.568 3.483 4.239) 5.706 2.978 ( 1.118 2.322 -5.798) 6.345 3.444 ( -1.781 -5.252 7.202) 9.090 3.549 ( -4.206 -9.311 -3.586) 10.828 3.868 ( 7.237 13.386 6.216) 16.438 3.984 ( 7.959 13.094 -2.339) 15.501 4.348 ( -10.109 9.962 13.278) 19.435 4.647 ( -15.042 -1.503 8.474) 17.330 4.669 ( 2.636 4.232 1.331) 5.161 4.848 ( 3.080 -4.452 3.349) 6.365 5.094 ( -6.569 -4.026 -11.589) 13.916 5.207 ( -21.024 -4.960 -20.381) 29.699 5.408 ( -14.232 3.618 9.874) 17.696 5.626 ( -15.779 0.817 -10.844) 19.163 5.904 ( 6.787 -2.497 11.890) 13.917 6.090 ( 3.157 -5.467 -4.881) 7.980 6.501 ( 7.428 4.624 8.008) 11.861 6.599 ( 6.212 6.323 1.041) 8.925 6.643 ( 7.519 -1.073 2.379) 7.959 6.849 ( 8.737 0.155 -11.737) 14.633 7.485 ( 19.494 3.433 4.701) 20.344 7.602 ( 17.254 1.347 -6.133) 18.361 7.693 ( 15.424 -3.953 9.645) 18.616 7.869 ( 17.536 -5.468 -7.660) 19.902 9.354 ( -2.737 3.348 13.341) 14.024 9.527 ( 2.218 -3.338 -0.083) 4.008 9.875 ( -8.825 0.521 -1.967) 9.056 9.979 ( -4.979 -3.218 -8.633) 10.472 11.171 ( 5.621 8.400 2.536) 10.420 11.220 ( 4.837 6.347 -2.513) 8.366 11.830 ( -3.846 0.458 1.985) 4.353 11.875 ( -2.709 -1.082 -2.101) 3.595 12.148 ( 0.992 5.173 1.405) 5.452 12.221 ( 0.434 0.621 -4.435) 4.499 12.504 ( 1.659 -6.005 -0.729) 6.273 12.530 ( 1.726 -6.045 -3.123) 7.019 14.199 ( -1.393 3.733 10.416) 11.152 14.359 ( -3.442 0.168 -4.372) 5.567 14.502 ( -3.805 -7.969 2.315) 9.129 14.516 ( -4.548 -6.708 0.401) 8.114 15.015 ( -7.950 17.770 12.080) 22.911 15.300 ( -11.193 12.183 -15.348) 22.567 16.073 ( -3.852 -16.146 5.666) 17.539 16.223 ( -6.076 -16.119 -8.739) 19.316 16.992 ( 22.597 0.899 19.685) 29.982 17.098 ( 22.938 -3.023 15.076) 27.615 17.563 ( 21.236 3.069 -13.867) 25.548 17.664 ( 21.869 -1.160 -18.127) 28.428 19.854 ( -7.796 0.342 4.753) 9.137 19.907 ( -8.763 -2.081 -0.551) 9.023 20.339 ( -9.881 3.995 -0.479) 10.669 20.343 ( -10.387 3.909 -0.872) 11.133 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 4.280 -2.666 3.817) 6.325 2.096 ( 2.333 -4.365 -0.777) 5.010 2.254 ( -0.337 6.874 0.893) 6.940 2.302 ( -3.317 7.643 -3.520) 9.045 2.515 ( 1.089 -4.658 2.066) 5.211 2.581 ( 3.153 -8.203 -3.733) 9.548 2.653 ( 2.587 -0.301 2.276) 3.459 2.686 ( 2.504 -0.659 -1.139) 2.828 2.917 ( 3.418 0.585 3.692) 5.065 3.016 ( 3.846 -1.747 -5.928) 7.279 3.393 ( -3.081 -5.275 4.931) 7.850 3.471 ( -3.418 -8.021 -3.031) 9.231 3.903 ( -5.145 6.897 13.353) 15.885 4.001 ( -4.762 2.239 15.106) 15.996 4.249 ( -5.829 14.475 -11.215) 19.216 4.427 ( -6.146 3.792 -10.966) 13.130 4.636 ( -3.513 4.421 -2.000) 5.990 4.801 ( -10.964 -1.071 -10.057) 14.916 4.967 ( 7.332 -5.412 3.958) 9.935 5.111 ( 3.295 -6.409 -9.194) 11.681 5.150 ( -11.281 9.813 7.522) 16.737 5.337 ( -13.157 7.523 -9.880) 18.092 5.983 ( 2.373 -12.746 8.309) 15.399 6.112 ( -0.634 -15.280 -3.933) 15.791 6.648 ( 7.485 10.869 6.989) 14.933 6.740 ( 6.199 14.311 -1.447) 15.663 6.815 ( 8.682 -1.043 8.887) 12.467 6.984 ( 4.538 0.430 -7.063) 8.407 7.809 ( 12.770 3.901 5.071) 14.283 7.892 ( 11.241 4.730 -2.717) 12.495 8.009 ( 15.573 -4.784 9.759) 18.990 8.180 ( 12.687 -5.008 -6.300) 15.025 9.301 ( -2.075 5.528 10.523) 12.066 9.532 ( -3.304 1.472 -10.960) 11.542 9.731 ( -3.545 -5.590 5.591) 8.665 9.885 ( -4.344 -6.581 -8.272) 11.429 11.292 ( 6.435 5.167 1.963) 8.483 11.330 ( 6.060 3.437 -1.908) 7.223 11.735 ( -5.547 -0.289 1.759) 5.827 11.793 ( -5.530 -2.202 -3.924) 7.129 12.187 ( 2.979 6.406 2.946) 7.654 12.252 ( 2.322 4.220 -2.698) 5.521 12.528 ( 0.661 -5.738 -0.085) 5.776 12.555 ( 0.619 -5.766 -2.484) 6.309 14.176 ( -0.738 3.111 9.288) 9.823 14.288 ( -3.560 0.149 0.165) 3.567 14.413 ( -4.238 -5.690 0.541) 7.115 14.436 ( -3.924 -6.511 -0.420) 7.614 14.911 ( -2.457 20.011 6.623) 21.221 15.107 ( -8.093 17.597 -12.401) 22.998 16.009 ( -2.346 -22.268 3.545) 22.670 16.110 ( -5.191 -20.970 -6.279) 22.497 17.458 ( 23.261 1.573 17.006) 28.858 17.568 ( 23.471 -3.016 11.539) 26.328 17.941 ( 15.260 2.779 -6.904) 16.978 18.057 ( 15.993 -2.330 -12.929) 20.697 19.706 ( -5.905 1.009 2.519) 6.498 19.735 ( -7.298 -0.206 -0.448) 7.315 20.107 ( -13.046 4.434 -2.388) 13.985 20.110 ( -12.883 4.301 -2.648) 13.838 ======================= Grid point 274 (95/100) ======================= q-point: ( 0.44 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 3.791 0.638 1.748) 4.223 2.151 ( 3.299 -1.627 0.172) 3.683 2.215 ( -4.450 7.406 -1.437) 8.759 2.226 ( -2.828 5.678 -1.631) 6.549 2.562 ( 3.952 -1.846 3.651) 5.689 2.637 ( 1.512 -5.218 -2.974) 6.194 2.652 ( -1.585 -0.156 2.362) 2.849 2.701 ( -1.812 -1.682 -1.551) 2.919 3.073 ( 11.236 -2.349 6.913) 13.400 3.170 ( 11.105 -6.435 -2.207) 13.023 3.285 ( -8.688 -3.072 8.040) 12.229 3.376 ( -7.744 -6.979 -0.304) 10.429 3.879 ( 5.757 -0.710 0.690) 5.841 3.912 ( -0.164 -1.326 3.826) 4.053 4.041 ( -11.000 4.083 -12.002) 16.784 4.149 ( -18.050 -2.763 -16.201) 24.411 4.703 ( 9.388 9.200 6.838) 14.817 4.853 ( 4.869 4.390 -5.950) 8.853 4.934 ( -5.609 12.244 4.195) 14.106 5.088 ( -9.581 2.840 -8.140) 12.889 5.111 ( 3.784 3.935 0.304) 5.468 5.164 ( -0.568 2.151 -4.234) 4.782 6.030 ( 2.578 -17.434 2.875) 17.856 6.080 ( -2.257 -18.479 -1.907) 18.713 6.773 ( 4.475 14.385 5.726) 16.116 6.811 ( 0.785 15.837 1.790) 15.957 6.959 ( 5.492 -0.572 4.890) 7.376 7.022 ( -0.685 0.136 -1.282) 1.460 7.993 ( 5.751 5.207 4.499) 8.968 8.028 ( 2.432 6.056 1.248) 6.644 8.262 ( 8.940 -5.157 6.190) 12.035 8.334 ( 2.168 -5.178 -0.132) 5.615 9.301 ( 2.667 7.134 2.228) 7.936 9.406 ( -7.248 6.781 -7.347) 12.349 9.741 ( 2.795 -10.787 0.935) 11.182 9.807 ( -3.623 -9.676 -4.997) 11.477 11.416 ( 5.482 3.996 1.408) 6.928 11.443 ( 4.082 3.422 -1.237) 5.468 11.632 ( -3.521 -2.991 0.079) 4.620 11.671 ( -6.003 -3.772 -3.731) 8.011 12.254 ( 3.135 7.346 3.073) 8.558 12.286 ( 0.327 6.826 0.355) 6.843 12.536 ( 0.527 -5.619 -0.726) 5.690 12.552 ( -0.775 -5.509 -1.974) 5.903 14.179 ( 1.175 1.968 7.867) 8.194 14.222 ( -2.990 0.698 5.160) 6.004 14.357 ( -1.134 -4.823 -1.656) 5.224 14.370 ( -2.300 -5.002 -1.738) 5.773 14.910 ( 1.974 21.107 0.061) 21.199 14.979 ( -4.937 20.721 -6.701) 22.330 15.988 ( 0.376 -25.030 0.339) 25.035 16.025 ( -3.226 -24.300 -3.217) 24.723 17.865 ( 16.299 2.158 10.653) 19.591 17.964 ( 12.640 -0.716 3.038) 13.019 18.113 ( 3.381 -1.207 6.306) 7.256 18.220 ( -0.829 -4.569 -1.922) 5.026 19.676 ( 3.917 2.666 -1.793) 5.066 19.683 ( 3.262 2.711 -2.850) 5.110 19.849 ( -12.145 4.101 -3.664) 13.332 19.852 ( -12.220 4.170 -4.196) 13.576 ======================= Grid point 279 (96/100) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 0.000 -0.704 3.209) 3.285 1.852 ( 0.000 0.704 3.209) 3.285 2.255 ( 0.000 -3.625 5.920) 6.941 2.255 ( 0.000 3.625 5.920) 6.941 2.517 ( 0.000 -2.975 -12.225) 12.582 2.517 ( 0.000 2.975 -12.225) 12.582 2.664 ( 0.000 -3.733 1.290) 3.949 2.664 ( 0.000 3.733 1.290) 3.949 2.923 ( 0.000 -3.217 1.857) 3.714 2.923 ( 0.000 3.217 1.857) 3.714 3.463 ( 0.000 -5.348 -0.299) 5.357 3.463 ( 0.000 5.348 -0.299) 5.357 3.939 ( 0.000 -3.210 0.073) 3.211 3.939 ( 0.000 3.210 0.073) 3.211 4.423 ( 0.000 -0.257 -2.856) 2.867 4.423 ( 0.000 0.257 -2.856) 2.867 5.116 ( 0.000 -3.379 23.086) 23.332 5.116 ( 0.000 3.379 23.086) 23.332 5.592 ( 0.000 -10.722 13.967) 17.608 5.592 ( 0.000 10.722 13.967) 17.608 5.703 ( 0.000 -4.065 -9.329) 10.176 5.703 ( 0.000 4.065 -9.329) 10.176 5.925 ( 0.000 -9.102 -8.501) 12.455 5.925 ( 0.000 9.102 -8.501) 12.455 6.385 ( 0.000 -2.839 -6.706) 7.282 6.385 ( 0.000 2.839 -6.706) 7.282 6.707 ( 0.000 -1.787 -2.307) 2.918 6.707 ( 0.000 1.787 -2.307) 2.918 6.980 ( 0.000 -1.730 -5.023) 5.312 6.980 ( 0.000 1.730 -5.023) 5.312 7.216 ( 0.000 -1.912 0.154) 1.918 7.216 ( 0.000 1.912 0.154) 1.918 9.430 ( 0.000 -0.516 9.883) 9.896 9.430 ( 0.000 0.516 9.883) 9.896 10.103 ( 0.000 -0.707 -5.527) 5.572 10.103 ( 0.000 0.707 -5.527) 5.572 11.219 ( 0.000 -2.163 -0.473) 2.214 11.219 ( 0.000 2.163 -0.473) 2.214 11.904 ( 0.000 -0.238 -0.266) 0.357 11.904 ( 0.000 0.238 -0.266) 0.357 12.205 ( 0.000 -1.965 -1.418) 2.423 12.205 ( 0.000 1.965 -1.418) 2.423 12.386 ( 0.000 -0.949 -2.547) 2.718 12.386 ( 0.000 0.949 -2.547) 2.718 14.365 ( 0.000 -7.977 6.848) 10.513 14.365 ( 0.000 7.977 6.848) 10.513 14.507 ( 0.000 -4.234 -3.636) 5.582 14.507 ( 0.000 4.234 -3.636) 5.582 15.592 ( 0.000 -9.725 7.350) 12.190 15.592 ( 0.000 9.725 7.350) 12.190 16.235 ( 0.000 -8.704 -2.693) 9.111 16.235 ( 0.000 8.704 -2.693) 9.111 16.469 ( 0.000 -1.574 9.622) 9.750 16.469 ( 0.000 1.574 9.622) 9.750 16.999 ( 0.000 -1.889 -16.713) 16.820 16.999 ( 0.000 1.889 -16.713) 16.820 20.054 ( 0.000 -1.747 2.230) 2.832 20.054 ( 0.000 1.747 2.230) 2.832 20.588 ( 0.000 -0.500 0.890) 1.021 20.588 ( 0.000 0.501 0.890) 1.021 ======================= Grid point 281 (97/100) ======================= q-point: ( 0.11 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 3.344 -1.466 3.214) 4.865 1.890 ( 3.344 1.466 3.214) 4.865 2.274 ( 1.588 -3.137 5.828) 6.807 2.274 ( 1.588 3.137 5.828) 6.807 2.468 ( -2.725 -1.516 -10.970) 11.404 2.468 ( -2.725 1.516 -10.970) 11.404 2.689 ( 0.381 -1.350 -0.651) 1.546 2.689 ( 0.381 1.350 -0.651) 1.546 2.942 ( 1.706 -3.658 2.246) 4.619 2.942 ( 1.706 3.658 2.246) 4.619 3.451 ( -1.654 -4.609 -0.218) 4.902 3.451 ( -1.654 4.609 -0.218) 4.902 3.968 ( 3.931 -4.020 1.095) 5.728 3.968 ( 3.931 4.020 1.095) 5.728 4.497 ( 6.750 -1.815 -2.460) 7.410 4.497 ( 6.750 1.815 -2.460) 7.410 4.940 ( -13.947 -4.940 21.414) 26.028 4.940 ( -13.947 4.940 21.414) 26.028 5.425 ( -14.232 -7.673 -11.301) 19.727 5.425 ( -14.232 7.673 -11.301) 19.727 5.714 ( -4.665 -4.823 7.374) 9.970 5.714 ( -4.665 4.823 7.374) 9.970 5.938 ( 1.759 -7.352 -4.445) 8.770 5.938 ( 1.759 7.352 -4.445) 8.770 6.441 ( 4.667 -5.459 -0.434) 7.195 6.441 ( 4.667 5.459 -0.434) 7.195 6.644 ( 1.424 -3.796 -5.635) 6.942 6.644 ( 1.424 3.796 -5.635) 6.942 7.203 ( 16.899 -5.682 -1.431) 17.886 7.203 ( 16.899 5.682 -1.431) 17.886 7.394 ( 15.420 -4.902 -1.688) 16.268 7.394 ( 15.420 4.902 -1.688) 16.268 9.434 ( 0.313 -1.953 9.761) 9.960 9.434 ( 0.313 1.953 9.761) 9.960 10.049 ( -5.219 -1.085 -6.118) 8.114 10.049 ( -5.219 1.085 -6.118) 8.114 11.234 ( 1.508 -1.834 -0.489) 2.424 11.234 ( 1.508 1.834 -0.489) 2.424 11.897 ( -0.926 -0.549 -0.200) 1.095 11.897 ( -0.926 0.549 -0.200) 1.095 12.208 ( 0.504 -1.574 -1.335) 2.125 12.208 ( 0.504 1.574 -1.335) 2.125 12.397 ( 1.080 -1.107 -2.240) 2.722 12.397 ( 1.080 1.107 -2.240) 2.722 14.353 ( -1.234 -7.726 6.305) 10.048 14.353 ( -1.234 7.726 6.305) 10.048 14.479 ( -2.738 -3.842 -2.857) 5.515 14.479 ( -2.738 3.842 -2.857) 5.515 15.498 ( -7.435 -10.501 6.178) 14.273 15.498 ( -7.435 10.501 6.178) 14.273 16.133 ( -9.473 -7.226 -8.180) 14.453 16.133 ( -9.473 7.226 -8.180) 14.453 16.631 ( 16.146 -2.331 16.922) 23.505 16.631 ( 16.146 2.331 16.922) 23.505 17.212 ( 18.258 -2.379 -17.308) 25.270 17.212 ( 18.258 2.379 -17.308) 25.270 20.004 ( -4.898 -1.642 2.221) 5.623 20.004 ( -4.898 1.642 2.221) 5.623 20.535 ( -5.272 -0.371 0.552) 5.314 20.535 ( -5.272 0.371 0.552) 5.314 ======================= Grid point 283 (98/100) ======================= q-point: ( 0.22 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 3.495 -2.462 2.550) 4.978 1.961 ( 3.495 2.462 2.550) 4.978 2.318 ( 3.210 -3.021 3.989) 5.945 2.318 ( 3.210 3.021 3.989) 5.945 2.438 ( -0.548 -0.574 -8.617) 8.654 2.438 ( -0.548 0.574 -8.617) 8.654 2.666 ( -1.626 -0.682 -0.640) 1.876 2.666 ( -1.626 0.682 -0.640) 1.876 2.968 ( 0.409 -3.607 1.499) 3.927 2.968 ( 0.409 3.607 1.499) 3.927 3.399 ( -2.963 -3.136 -0.302) 4.325 3.399 ( -2.963 3.136 -0.302) 4.325 4.080 ( 4.073 -3.760 8.792) 10.394 4.080 ( 4.073 3.760 8.792) 10.394 4.559 ( -5.346 -7.435 2.647) 9.532 4.559 ( -5.346 7.435 2.647) 9.532 4.771 ( 2.973 -5.684 4.771) 7.995 4.771 ( 2.973 5.684 4.771) 7.995 5.090 ( -17.805 -4.638 -16.979) 25.036 5.090 ( -17.805 4.638 -16.979) 25.036 5.555 ( -8.224 -8.400 4.539) 12.601 5.555 ( -8.224 8.400 4.539) 12.601 5.908 ( -5.397 -6.960 -2.964) 9.292 5.908 ( -5.397 6.960 -2.964) 9.292 6.578 ( 9.891 -2.274 11.536) 15.365 6.578 ( 9.891 2.274 11.536) 15.365 6.795 ( 9.914 -5.977 -8.809) 14.547 6.795 ( 9.914 5.977 -8.809) 14.547 7.561 ( 18.288 -4.167 3.821) 19.142 7.561 ( 18.288 4.167 3.821) 19.142 7.737 ( 17.614 -6.467 -4.584) 19.316 7.737 ( 17.614 6.467 -4.584) 19.316 9.439 ( 0.159 -4.499 8.941) 10.011 9.439 ( 0.159 4.499 8.941) 10.011 9.913 ( -8.067 -2.794 -7.348) 11.264 9.913 ( -8.067 2.794 -7.348) 11.264 11.279 ( 3.082 -1.235 -0.508) 3.359 11.279 ( 3.082 1.235 -0.508) 3.359 11.854 ( -3.640 -1.285 -0.467) 3.889 11.854 ( -3.640 1.285 -0.467) 3.889 12.237 ( 2.538 -1.986 -0.734) 3.305 12.237 ( 2.538 1.986 -0.734) 3.305 12.425 ( 1.582 -1.474 -1.425) 2.589 12.425 ( 1.582 1.474 -1.425) 2.589 14.319 ( -2.070 -6.980 5.028) 8.848 14.319 ( -2.070 6.980 5.028) 8.848 14.408 ( -4.124 -3.034 -0.991) 5.215 14.408 ( -4.124 3.034 -0.991) 5.215 15.366 ( -4.989 -11.182 3.473) 12.728 15.366 ( -4.989 11.182 3.473) 12.728 15.925 ( -10.800 -7.779 -7.109) 15.089 15.925 ( -10.800 7.779 -7.109) 15.089 17.035 ( 23.194 -2.775 17.391) 29.122 17.035 ( 23.194 2.775 17.391) 29.122 17.623 ( 21.514 -2.566 -15.743) 26.783 17.623 ( 21.514 2.566 -15.743) 26.783 19.873 ( -7.855 -1.303 2.026) 8.216 19.873 ( -7.855 1.303 2.026) 8.216 20.384 ( -9.791 -0.117 -0.516) 9.805 20.384 ( -9.791 0.117 -0.516) 9.805 ======================= Grid point 285 (99/100) ======================= q-point: ( 0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 4.018 -1.538 0.931) 4.402 2.031 ( 4.018 1.538 0.931) 4.402 2.373 ( -1.050 -4.551 -1.115) 4.802 2.373 ( -1.050 4.551 -1.115) 4.802 2.445 ( 3.420 -4.205 -1.054) 5.522 2.445 ( 3.420 4.205 -1.054) 5.522 2.673 ( 2.406 -0.952 0.601) 2.656 2.673 ( 2.406 0.952 0.601) 2.656 2.966 ( 0.635 -3.125 -0.117) 3.191 2.966 ( 0.635 3.125 -0.117) 3.191 3.350 ( -2.298 -2.177 -0.284) 3.178 3.350 ( -2.298 2.177 -0.284) 3.178 3.995 ( -9.919 -2.070 18.749) 21.312 3.995 ( -9.919 2.070 18.749) 21.312 4.449 ( -12.283 -3.553 -22.302) 25.708 4.449 ( -12.283 3.553 -22.302) 25.708 4.746 ( -0.205 -5.826 2.916) 6.518 4.746 ( -0.205 5.826 2.916) 6.518 4.970 ( 3.890 -5.533 -5.430) 8.674 4.970 ( 3.890 5.533 -5.430) 8.674 5.452 ( -1.359 -10.741 2.902) 11.209 5.452 ( -1.359 10.741 2.902) 11.209 5.773 ( -7.335 -8.461 -2.717) 11.523 5.773 ( -7.335 8.461 -2.717) 11.523 6.785 ( 9.835 -2.554 11.135) 15.074 6.785 ( 9.835 2.554 11.135) 15.074 6.955 ( 5.566 -4.678 -5.300) 8.997 6.955 ( 5.566 4.678 -5.300) 8.997 7.897 ( 14.935 -4.856 7.298) 17.318 7.897 ( 14.935 4.856 7.298) 17.318 8.044 ( 12.315 -7.639 -4.623) 15.212 8.044 ( 12.315 7.639 -4.623) 15.212 9.447 ( 0.951 -7.685 5.924) 9.750 9.447 ( 0.951 7.685 5.924) 9.750 9.748 ( -8.246 -5.669 -7.729) 12.644 9.748 ( -8.246 5.669 -7.729) 12.644 11.357 ( 4.862 -0.912 -0.621) 4.986 11.357 ( 4.862 0.912 -0.621) 4.986 11.753 ( -6.388 -1.625 -1.005) 6.668 11.753 ( -6.388 1.625 -1.005) 6.668 12.306 ( 4.210 -2.910 0.194) 5.121 12.306 ( 4.210 2.910 0.194) 5.121 12.451 ( 0.719 -1.854 -0.388) 2.026 12.451 ( 0.719 1.854 -0.388) 2.026 14.277 ( -1.976 -5.708 3.740) 7.104 14.277 ( -1.976 5.708 3.740) 7.104 14.327 ( -3.776 -2.604 0.897) 4.674 14.327 ( -3.776 2.604 0.897) 4.674 15.320 ( 0.518 -11.045 0.656) 11.076 15.320 ( 0.518 11.045 0.656) 11.076 15.716 ( -10.196 -8.606 -5.252) 14.339 15.716 ( -10.196 8.606 -5.252) 14.339 17.507 ( 23.472 -2.787 14.369) 27.662 17.507 ( 23.472 2.787 14.369) 27.662 18.000 ( 14.742 -2.884 -9.900) 17.990 18.000 ( 14.742 2.884 -9.900) 17.990 19.727 ( -5.543 -0.740 0.733) 5.640 19.727 ( -5.543 0.740 0.733) 5.640 20.156 ( -12.855 -0.067 -2.199) 13.042 20.156 ( -12.855 0.067 -2.199) 13.042 ======================= Grid point 287 (100/100) ======================= q-point: ( 0.44 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 6.576 -0.720 -0.200) 6.618 2.136 ( 6.576 0.720 -0.200) 6.618 2.276 ( -6.893 -0.318 -1.096) 6.987 2.276 ( -6.893 0.318 -1.096) 6.987 2.561 ( 6.651 -1.993 0.702) 6.979 2.561 ( 6.651 1.993 0.702) 6.979 2.673 ( -3.683 -1.554 1.146) 4.158 2.673 ( -3.683 1.554 1.146) 4.158 3.070 ( 9.790 -2.418 2.578) 10.409 3.070 ( 9.790 2.418 2.578) 10.409 3.264 ( -7.611 -2.281 3.616) 8.729 3.264 ( -7.611 2.281 3.616) 8.729 3.887 ( 2.379 -0.952 2.703) 3.725 3.887 ( 2.379 0.952 2.703) 3.725 4.100 ( -17.194 -2.023 -15.636) 23.328 4.100 ( -17.194 2.023 -15.636) 23.328 4.870 ( 7.706 -5.597 0.098) 9.525 4.870 ( 7.706 5.597 0.098) 9.525 4.983 ( -3.077 -4.194 -2.054) 5.593 4.983 ( -3.077 4.194 -2.054) 5.593 5.502 ( 5.479 -11.236 0.221) 12.503 5.502 ( 5.479 11.236 0.221) 12.503 5.631 ( -6.986 -10.151 -1.703) 12.440 5.631 ( -6.986 10.151 -1.703) 12.440 6.943 ( 5.791 -2.917 6.358) 9.082 6.943 ( 5.791 2.917 6.358) 9.082 7.006 ( -0.413 -3.487 0.352) 3.529 7.006 ( -0.413 3.487 0.352) 3.529 8.129 ( 7.964 -7.129 5.867) 12.193 8.129 ( 7.964 7.129 5.867) 12.193 8.191 ( 2.113 -8.134 0.425) 8.415 8.191 ( 2.113 8.134 0.425) 8.415 9.491 ( 3.803 -9.678 0.000) 10.399 9.491 ( 3.803 9.678 0.000) 10.399 9.597 ( -6.698 -8.622 -5.484) 12.218 9.597 ( -6.698 8.622 -5.484) 12.218 11.471 ( 6.616 -0.983 -0.923) 6.752 11.471 ( 6.616 0.983 -0.923) 6.752 11.613 ( -7.406 -1.377 -1.171) 7.623 11.613 ( -7.406 1.377 -1.171) 7.623 12.389 ( 3.773 -2.916 0.691) 4.818 12.389 ( 3.773 2.916 0.691) 4.818 12.444 ( -1.562 -2.375 0.456) 2.879 12.444 ( -1.562 2.375 0.456) 2.879 14.251 ( -0.365 -4.315 2.844) 5.181 14.251 ( -0.365 4.315 2.844) 5.181 14.267 ( -2.019 -3.220 2.093) 4.339 14.267 ( -2.019 3.220 2.093) 4.339 15.383 ( 5.539 -10.329 -1.682) 11.841 15.383 ( 5.539 10.329 -1.682) 11.841 15.527 ( -8.697 -9.453 -3.543) 13.325 15.527 ( -8.697 9.453 -3.543) 13.325 17.924 ( 17.370 -2.942 8.827) 19.705 17.924 ( 17.370 2.942 8.827) 19.705 18.134 ( -2.347 -3.097 0.030) 3.886 18.134 ( -2.347 3.097 0.030) 3.886 19.710 ( 4.759 -0.240 -2.399) 5.335 19.710 ( 4.759 0.240 -2.399) 5.335 19.896 ( -12.537 -0.127 -3.585) 13.040 19.896 ( -12.537 0.127 -3.585) 13.040 =================== 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 3/29160 10.0 959.374 821.829 1359.161 0.000 0.000 0.000 3/29160 20.0 129.118 115.288 160.755 0.000 0.000 0.000 3/29160 30.0 52.113 45.290 57.028 0.000 0.000 0.000 3/29160 40.0 29.245 25.777 30.968 0.000 0.000 0.000 3/29160 50.0 19.753 17.639 20.620 0.000 0.000 0.000 3/29160 60.0 14.901 13.390 15.406 0.000 0.000 0.000 3/29160 70.0 12.042 10.830 12.351 0.000 0.000 0.000 3/29160 80.0 10.173 9.131 10.361 0.000 0.000 0.000 3/29160 90.0 8.855 7.920 8.962 0.000 0.000 0.000 3/29160 100.0 7.870 7.014 7.923 0.000 0.000 0.000 3/29160 110.0 7.103 6.309 7.118 0.000 0.000 0.000 3/29160 120.0 6.487 5.744 6.475 0.000 0.000 0.000 3/29160 130.0 5.979 5.280 5.947 0.000 0.000 0.000 3/29160 140.0 5.553 4.892 5.506 0.000 0.000 0.000 3/29160 150.0 5.189 4.561 5.131 0.000 0.000 0.000 3/29160 160.0 4.875 4.276 4.808 0.000 0.000 0.000 3/29160 170.0 4.600 4.027 4.526 0.000 0.000 0.000 3/29160 180.0 4.357 3.807 4.278 0.000 0.000 0.000 3/29160 190.0 4.141 3.612 4.058 0.000 0.000 0.000 3/29160 200.0 3.947 3.436 3.860 0.000 0.000 0.000 3/29160 210.0 3.771 3.278 3.682 0.000 0.000 0.000 3/29160 220.0 3.612 3.134 3.520 0.000 0.000 0.000 3/29160 230.0 3.466 3.003 3.373 0.000 0.000 0.000 3/29160 240.0 3.332 2.883 3.238 0.000 0.000 0.000 3/29160 250.0 3.209 2.772 3.114 0.000 0.000 0.000 3/29160 260.0 3.094 2.670 2.999 0.000 0.000 0.000 3/29160 270.0 2.988 2.575 2.892 0.000 0.000 0.000 3/29160 280.0 2.889 2.486 2.794 0.000 0.000 0.000 3/29160 290.0 2.797 2.404 2.701 0.000 0.000 0.000 3/29160 300.0 2.710 2.327 2.615 0.000 0.000 0.000 3/29160 310.0 2.629 2.255 2.534 0.000 0.000 0.000 3/29160 320.0 2.553 2.187 2.458 0.000 0.000 0.000 3/29160 330.0 2.481 2.123 2.387 0.000 0.000 0.000 3/29160 340.0 2.412 2.063 2.320 0.000 0.000 0.000 3/29160 350.0 2.348 2.006 2.256 0.000 0.000 0.000 3/29160 360.0 2.287 1.952 2.196 0.000 0.000 0.000 3/29160 370.0 2.229 1.901 2.139 0.000 0.000 0.000 3/29160 380.0 2.174 1.852 2.084 0.000 0.000 0.000 3/29160 390.0 2.121 1.806 2.033 0.000 0.000 0.000 3/29160 400.0 2.071 1.763 1.984 0.000 0.000 0.000 3/29160 410.0 2.023 1.721 1.937 0.000 0.000 0.000 3/29160 420.0 1.978 1.681 1.892 0.000 0.000 0.000 3/29160 430.0 1.934 1.643 1.850 0.000 0.000 0.000 3/29160 440.0 1.893 1.607 1.809 0.000 0.000 0.000 3/29160 450.0 1.853 1.572 1.770 0.000 0.000 0.000 3/29160 460.0 1.814 1.539 1.733 0.000 0.000 0.000 3/29160 470.0 1.777 1.507 1.697 0.000 0.000 0.000 3/29160 480.0 1.742 1.476 1.663 0.000 0.000 0.000 3/29160 490.0 1.708 1.447 1.630 0.000 0.000 0.000 3/29160 500.0 1.675 1.418 1.598 0.000 0.000 0.000 3/29160 510.0 1.644 1.391 1.567 0.000 0.000 0.000 3/29160 520.0 1.614 1.365 1.538 0.000 0.000 0.000 3/29160 530.0 1.584 1.340 1.510 0.000 0.000 0.000 3/29160 540.0 1.556 1.315 1.483 0.000 0.000 0.000 3/29160 550.0 1.529 1.292 1.456 0.000 0.000 0.000 3/29160 560.0 1.502 1.269 1.431 0.000 0.000 0.000 3/29160 570.0 1.477 1.247 1.406 0.000 0.000 0.000 3/29160 580.0 1.452 1.226 1.383 0.000 0.000 0.000 3/29160 590.0 1.429 1.206 1.360 0.000 0.000 0.000 3/29160 600.0 1.406 1.186 1.337 0.000 0.000 0.000 3/29160 610.0 1.383 1.167 1.316 0.000 0.000 0.000 3/29160 620.0 1.362 1.149 1.295 0.000 0.000 0.000 3/29160 630.0 1.341 1.131 1.275 0.000 0.000 0.000 3/29160 640.0 1.320 1.113 1.255 0.000 0.000 0.000 3/29160 650.0 1.301 1.096 1.237 0.000 0.000 0.000 3/29160 660.0 1.282 1.080 1.218 0.000 0.000 0.000 3/29160 670.0 1.263 1.064 1.200 0.000 0.000 0.000 3/29160 680.0 1.245 1.049 1.183 0.000 0.000 0.000 3/29160 690.0 1.227 1.034 1.166 0.000 0.000 0.000 3/29160 700.0 1.210 1.019 1.150 0.000 0.000 0.000 3/29160 710.0 1.194 1.005 1.134 0.000 0.000 0.000 3/29160 720.0 1.177 0.991 1.118 0.000 0.000 0.000 3/29160 730.0 1.162 0.978 1.103 0.000 0.000 0.000 3/29160 740.0 1.146 0.965 1.088 0.000 0.000 0.000 3/29160 750.0 1.131 0.952 1.074 0.000 0.000 0.000 3/29160 760.0 1.117 0.940 1.060 0.000 0.000 0.000 3/29160 770.0 1.103 0.928 1.047 0.000 0.000 0.000 3/29160 780.0 1.089 0.916 1.033 0.000 0.000 0.000 3/29160 790.0 1.075 0.904 1.021 0.000 0.000 0.000 3/29160 800.0 1.062 0.893 1.008 0.000 0.000 0.000 3/29160 810.0 1.049 0.882 0.996 0.000 0.000 0.000 3/29160 820.0 1.037 0.872 0.984 0.000 0.000 0.000 3/29160 830.0 1.025 0.861 0.972 0.000 0.000 0.000 3/29160 840.0 1.013 0.851 0.961 0.000 0.000 0.000 3/29160 850.0 1.001 0.841 0.949 0.000 0.000 0.000 3/29160 860.0 0.989 0.831 0.938 0.000 0.000 0.000 3/29160 870.0 0.978 0.822 0.928 0.000 0.000 0.000 3/29160 880.0 0.967 0.813 0.917 0.000 0.000 0.000 3/29160 890.0 0.957 0.804 0.907 0.000 0.000 0.000 3/29160 900.0 0.946 0.795 0.897 0.000 0.000 0.000 3/29160 910.0 0.936 0.786 0.887 0.000 0.000 0.000 3/29160 920.0 0.926 0.778 0.878 0.000 0.000 0.000 3/29160 930.0 0.916 0.769 0.869 0.000 0.000 0.000 3/29160 940.0 0.907 0.761 0.859 0.000 0.000 0.000 3/29160 950.0 0.897 0.753 0.850 0.000 0.000 0.000 3/29160 960.0 0.888 0.746 0.842 0.000 0.000 0.000 3/29160 970.0 0.879 0.738 0.833 0.000 0.000 0.000 3/29160 980.0 0.870 0.730 0.825 0.000 0.000 0.000 3/29160 990.0 0.861 0.723 0.816 0.000 0.000 0.000 3/29160 1000.0 0.853 0.716 0.808 0.000 0.000 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m969.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:01:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|