----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:04:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.215575040000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.698674690000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.119615680000002 Atomic positions (fractional): *1 F 0.28767125946895 0.45917536396566 0.21112322129593 18.998 2 F 0.21232874053105 0.54082463603434 0.71112322129593 18.998 3 F 0.78767125946895 0.04082463603434 0.28887677870407 18.998 4 F 0.71232874053105 0.95917536396566 0.78887677870407 18.998 5 F 0.71232874053105 0.54082463603434 0.78887677870407 18.998 6 F 0.78767125946895 0.45917536396566 0.28887677870407 18.998 7 F 0.21232874053105 0.95917536396566 0.71112322129593 18.998 8 F 0.28767125946895 0.04082463603434 0.21112322129593 18.998 *9 F 0.97523365818664 0.25000000000000 0.92338133529480 18.998 10 F 0.52476634181336 0.75000000000000 0.42338133529480 18.998 11 F 0.47523365818664 0.25000000000000 0.57661866470520 18.998 12 F 0.02476634181335 0.75000000000000 0.07661866470520 18.998 *13 K 0.03843938415620 0.25000000000000 0.49033158402513 39.098 14 K 0.46156061584380 0.75000000000000 0.99033158402513 39.098 15 K 0.53843938415620 0.25000000000000 0.00966841597487 39.098 16 K 0.96156061584380 0.75000000000000 0.50966841597487 39.098 *17 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 18 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 19 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 20 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.215575040000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.698674690000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.119615680000002 Atomic positions (fractional): *1 F 0.28767125946895 0.45917536396566 0.21112322129593 18.998 > 1 2 F 0.21232874053105 0.54082463603434 0.71112322129593 18.998 > 2 3 F 0.78767125946895 0.04082463603434 0.28887677870407 18.998 > 3 4 F 0.71232874053105 0.95917536396566 0.78887677870407 18.998 > 4 5 F 0.71232874053105 0.54082463603434 0.78887677870407 18.998 > 5 6 F 0.78767125946895 0.45917536396566 0.28887677870407 18.998 > 6 7 F 0.21232874053105 0.95917536396566 0.71112322129593 18.998 > 7 8 F 0.28767125946895 0.04082463603434 0.21112322129593 18.998 > 8 *9 F 0.97523365818664 0.25000000000000 0.92338133529480 18.998 > 9 10 F 0.52476634181336 0.75000000000000 0.42338133529480 18.998 > 10 11 F 0.47523365818664 0.25000000000000 0.57661866470520 18.998 > 11 12 F 0.02476634181335 0.75000000000000 0.07661866470520 18.998 > 12 *13 K 0.03843938415620 0.25000000000000 0.49033158402513 39.098 > 13 14 K 0.46156061584380 0.75000000000000 0.99033158402513 39.098 > 14 15 K 0.53843938415620 0.25000000000000 0.00966841597487 39.098 > 15 16 K 0.96156061584380 0.75000000000000 0.50966841597487 39.098 > 16 *17 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 17 18 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 18 19 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 19 20 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.431150080000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.698674690000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.239231360000003 Atomic positions (fractional): *1 F 0.14383562973448 0.45917536396566 0.10556161064796 18.998 > 1 2 F 0.64383562973447 0.45917536396566 0.10556161064796 18.998 > 1 3 F 0.14383562973448 0.45917536396566 0.60556161064796 18.998 > 1 4 F 0.64383562973447 0.45917536396566 0.60556161064796 18.998 > 1 5 F 0.10616437026552 0.54082463603434 0.35556161064796 18.998 > 2 6 F 0.60616437026553 0.54082463603434 0.35556161064796 18.998 > 2 7 F 0.10616437026552 0.54082463603434 0.85556161064796 18.998 > 2 8 F 0.60616437026553 0.54082463603434 0.85556161064796 18.998 > 2 9 F 0.39383562973448 0.04082463603434 0.14443838935204 18.998 > 3 10 F 0.89383562973447 0.04082463603434 0.14443838935204 18.998 > 3 11 F 0.39383562973448 0.04082463603434 0.64443838935204 18.998 > 3 12 F 0.89383562973447 0.04082463603434 0.64443838935204 18.998 > 3 13 F 0.35616437026552 0.95917536396566 0.39443838935204 18.998 > 4 14 F 0.85616437026553 0.95917536396566 0.39443838935204 18.998 > 4 15 F 0.35616437026552 0.95917536396566 0.89443838935204 18.998 > 4 16 F 0.85616437026553 0.95917536396566 0.89443838935204 18.998 > 4 17 F 0.35616437026552 0.54082463603434 0.39443838935204 18.998 > 5 18 F 0.85616437026553 0.54082463603434 0.39443838935204 18.998 > 5 19 F 0.35616437026552 0.54082463603434 0.89443838935204 18.998 > 5 20 F 0.85616437026553 0.54082463603434 0.89443838935204 18.998 > 5 21 F 0.39383562973448 0.45917536396566 0.14443838935204 18.998 > 6 22 F 0.89383562973447 0.45917536396566 0.14443838935204 18.998 > 6 23 F 0.39383562973448 0.45917536396566 0.64443838935204 18.998 > 6 24 F 0.89383562973447 0.45917536396566 0.64443838935204 18.998 > 6 25 F 0.10616437026552 0.95917536396566 0.35556161064796 18.998 > 7 26 F 0.60616437026553 0.95917536396566 0.35556161064796 18.998 > 7 27 F 0.10616437026552 0.95917536396566 0.85556161064796 18.998 > 7 28 F 0.60616437026553 0.95917536396566 0.85556161064796 18.998 > 7 29 F 0.14383562973448 0.04082463603434 0.10556161064796 18.998 > 8 30 F 0.64383562973447 0.04082463603434 0.10556161064796 18.998 > 8 31 F 0.14383562973448 0.04082463603434 0.60556161064796 18.998 > 8 32 F 0.64383562973447 0.04082463603434 0.60556161064796 18.998 > 8 *33 F 0.48761682909332 0.25000000000000 0.46169066764740 18.998 > 9 34 F 0.98761682909332 0.25000000000000 0.46169066764740 18.998 > 9 35 F 0.48761682909332 0.25000000000000 0.96169066764740 18.998 > 9 36 F 0.98761682909332 0.25000000000000 0.96169066764740 18.998 > 9 37 F 0.26238317090668 0.75000000000000 0.21169066764740 18.998 > 10 38 F 0.76238317090668 0.75000000000000 0.21169066764740 18.998 > 10 39 F 0.26238317090668 0.75000000000000 0.71169066764740 18.998 > 10 40 F 0.76238317090668 0.75000000000000 0.71169066764740 18.998 > 10 41 F 0.23761682909332 0.25000000000000 0.28830933235260 18.998 > 11 42 F 0.73761682909332 0.25000000000000 0.28830933235260 18.998 > 11 43 F 0.23761682909332 0.25000000000000 0.78830933235260 18.998 > 11 44 F 0.73761682909332 0.25000000000000 0.78830933235260 18.998 > 11 45 F 0.01238317090668 0.75000000000000 0.03830933235260 18.998 > 12 46 F 0.51238317090668 0.75000000000000 0.03830933235260 18.998 > 12 47 F 0.01238317090668 0.75000000000000 0.53830933235260 18.998 > 12 48 F 0.51238317090668 0.75000000000000 0.53830933235260 18.998 > 12 *49 K 0.01921969207810 0.25000000000000 0.24516579201256 39.098 > 13 50 K 0.51921969207810 0.25000000000000 0.24516579201256 39.098 > 13 51 K 0.01921969207810 0.25000000000000 0.74516579201256 39.098 > 13 52 K 0.51921969207810 0.25000000000000 0.74516579201256 39.098 > 13 53 K 0.23078030792190 0.75000000000000 0.49516579201256 39.098 > 14 54 K 0.73078030792190 0.75000000000000 0.49516579201256 39.098 > 14 55 K 0.23078030792190 0.75000000000000 0.99516579201256 39.098 > 14 56 K 0.73078030792190 0.75000000000000 0.99516579201256 39.098 > 14 57 K 0.26921969207810 0.25000000000000 0.00483420798744 39.098 > 15 58 K 0.76921969207810 0.25000000000000 0.00483420798744 39.098 > 15 59 K 0.26921969207810 0.25000000000000 0.50483420798743 39.098 > 15 60 K 0.76921969207810 0.25000000000000 0.50483420798743 39.098 > 15 61 K 0.48078030792190 0.75000000000000 0.25483420798744 39.098 > 16 62 K 0.98078030792190 0.75000000000000 0.25483420798744 39.098 > 16 63 K 0.48078030792190 0.75000000000000 0.75483420798744 39.098 > 16 64 K 0.98078030792190 0.75000000000000 0.75483420798744 39.098 > 16 *65 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 17 66 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 17 67 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 17 68 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 17 69 Ca 0.25000000000000 0.00000000000000 0.25000000000000 40.078 > 18 70 Ca 0.75000000000000 0.00000000000000 0.25000000000000 40.078 > 18 71 Ca 0.25000000000000 0.00000000000000 0.75000000000000 40.078 > 18 72 Ca 0.75000000000000 0.00000000000000 0.75000000000000 40.078 > 18 73 Ca 0.25000000000000 0.50000000000000 0.25000000000000 40.078 > 19 74 Ca 0.75000000000000 0.50000000000000 0.25000000000000 40.078 > 19 75 Ca 0.25000000000000 0.50000000000000 0.75000000000000 40.078 > 19 76 Ca 0.75000000000000 0.50000000000000 0.75000000000000 40.078 > 19 77 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 20 78 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 20 79 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 20 80 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1074275 0.0000000 0.0000000 0.0000000 2.1076784 0.0000000 0.0000000 0.0000000 2.1102542 -------------------------- Born effective charges -------------------------- 1 F -1.2932878 0.0242969 -0.3354109 0.0207061 -0.9428749 0.0043052 -0.3336303 0.0061764 -1.2701774 2 F -1.2932878 0.0242969 0.3354109 0.0207061 -0.9428749 -0.0043052 0.3336303 -0.0061764 -1.2701774 3 F -1.2932878 -0.0242969 0.3354109 -0.0207061 -0.9428749 0.0043052 0.3336303 0.0061764 -1.2701774 4 F -1.2932878 -0.0242969 -0.3354109 -0.0207061 -0.9428749 -0.0043052 -0.3336303 -0.0061764 -1.2701774 5 F -1.2932878 0.0242969 -0.3354109 0.0207061 -0.9428749 0.0043052 -0.3336303 0.0061764 -1.2701774 6 F -1.2932878 0.0242969 0.3354109 0.0207061 -0.9428749 -0.0043052 0.3336303 -0.0061764 -1.2701774 7 F -1.2932878 -0.0242969 0.3354109 -0.0207061 -0.9428749 0.0043052 0.3336303 0.0061764 -1.2701774 8 F -1.2932878 -0.0242969 -0.3354109 -0.0207061 -0.9428749 -0.0043052 -0.3336303 -0.0061764 -1.2701774 9 F -0.9157167 0.0000000 0.0267330 0.0000000 -1.6182741 0.0000000 0.0198790 0.0000000 -0.9745139 10 F -0.9157167 0.0000000 -0.0267330 0.0000000 -1.6182741 0.0000000 -0.0198790 0.0000000 -0.9745139 11 F -0.9157167 0.0000000 -0.0267330 0.0000000 -1.6182741 0.0000000 -0.0198790 0.0000000 -0.9745139 12 F -0.9157167 0.0000000 0.0267330 0.0000000 -1.6182741 0.0000000 0.0198790 0.0000000 -0.9745139 13 K 1.1680291 0.0000000 0.0354100 0.0000000 1.1604651 0.0000000 0.0343783 0.0000000 1.1808518 14 K 1.1680291 0.0000000 -0.0354100 0.0000000 1.1604651 0.0000000 -0.0343783 0.0000000 1.1808518 15 K 1.1680291 0.0000000 -0.0354100 0.0000000 1.1604651 0.0000000 -0.0343783 0.0000000 1.1808518 16 K 1.1680291 0.0000000 0.0354100 0.0000000 1.1604651 0.0000000 0.0343783 0.0000000 1.1808518 17 Ca 2.3342631 -0.0429128 -0.0140555 -0.0514468 2.3435589 -0.0192936 0.0378430 0.0655825 2.3340169 18 Ca 2.3342631 -0.0429128 0.0140555 -0.0514468 2.3435589 0.0192936 -0.0378430 -0.0655825 2.3340169 19 Ca 2.3342631 0.0429128 0.0140555 0.0514468 2.3435589 -0.0192936 -0.0378430 0.0655825 2.3340169 20 Ca 2.3342631 0.0429128 -0.0140555 0.0514468 2.3435589 0.0192936 0.0378430 -0.0655825 2.3340169 ---------------------------------------------------------------------------- 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: 0.727 Solver_block: 200 / 320 - Time: 0.741 Solver_block: 300 / 320 - Time: 0.741 Solver_block: 320 / 320 - Time: 0.188 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.415 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) 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 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:05:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:05:01]------------------------- 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 6.215575040000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.698674690000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.119615680000002 Atomic positions (fractional): 1 F 0.28767125946895 0.45917536396566 0.21112322129593 18.998 2 F 0.21232874053105 0.54082463603434 0.71112322129593 18.998 3 F 0.78767125946895 0.04082463603434 0.28887677870407 18.998 4 F 0.71232874053105 0.95917536396566 0.78887677870407 18.998 5 F 0.71232874053105 0.54082463603434 0.78887677870407 18.998 6 F 0.78767125946895 0.45917536396566 0.28887677870407 18.998 7 F 0.21232874053105 0.95917536396566 0.71112322129593 18.998 8 F 0.28767125946895 0.04082463603434 0.21112322129593 18.998 9 F 0.97523365818664 0.25000000000000 0.92338133529480 18.998 10 F 0.52476634181336 0.75000000000000 0.42338133529480 18.998 11 F 0.47523365818664 0.25000000000000 0.57661866470520 18.998 12 F 0.02476634181335 0.75000000000000 0.07661866470520 18.998 13 K 0.03843938415620 0.25000000000000 0.49033158402513 39.098 14 K 0.46156061584380 0.75000000000000 0.99033158402513 39.098 15 K 0.53843938415620 0.25000000000000 0.00966841597487 39.098 16 K 0.96156061584380 0.75000000000000 0.50966841597487 39.098 17 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 18 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 19 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 20 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.431150080000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.698674690000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.239231360000003 Atomic positions (fractional): 1 F 0.14383562973448 0.45917536396566 0.10556161064796 18.998 > 1 2 F 0.64383562973447 0.45917536396566 0.10556161064796 18.998 > 1 3 F 0.14383562973448 0.45917536396566 0.60556161064796 18.998 > 1 4 F 0.64383562973447 0.45917536396566 0.60556161064796 18.998 > 1 5 F 0.10616437026552 0.54082463603434 0.35556161064796 18.998 > 5 6 F 0.60616437026553 0.54082463603434 0.35556161064796 18.998 > 5 7 F 0.10616437026552 0.54082463603434 0.85556161064796 18.998 > 5 8 F 0.60616437026553 0.54082463603434 0.85556161064796 18.998 > 5 9 F 0.39383562973448 0.04082463603434 0.14443838935204 18.998 > 9 10 F 0.89383562973447 0.04082463603434 0.14443838935204 18.998 > 9 11 F 0.39383562973448 0.04082463603434 0.64443838935204 18.998 > 9 12 F 0.89383562973447 0.04082463603434 0.64443838935204 18.998 > 9 13 F 0.35616437026552 0.95917536396566 0.39443838935204 18.998 > 13 14 F 0.85616437026553 0.95917536396566 0.39443838935204 18.998 > 13 15 F 0.35616437026552 0.95917536396566 0.89443838935204 18.998 > 13 16 F 0.85616437026553 0.95917536396566 0.89443838935204 18.998 > 13 17 F 0.35616437026552 0.54082463603434 0.39443838935204 18.998 > 17 18 F 0.85616437026553 0.54082463603434 0.39443838935204 18.998 > 17 19 F 0.35616437026552 0.54082463603434 0.89443838935204 18.998 > 17 20 F 0.85616437026553 0.54082463603434 0.89443838935204 18.998 > 17 21 F 0.39383562973448 0.45917536396566 0.14443838935204 18.998 > 21 22 F 0.89383562973447 0.45917536396566 0.14443838935204 18.998 > 21 23 F 0.39383562973448 0.45917536396566 0.64443838935204 18.998 > 21 24 F 0.89383562973447 0.45917536396566 0.64443838935204 18.998 > 21 25 F 0.10616437026552 0.95917536396566 0.35556161064796 18.998 > 25 26 F 0.60616437026553 0.95917536396566 0.35556161064796 18.998 > 25 27 F 0.10616437026552 0.95917536396566 0.85556161064796 18.998 > 25 28 F 0.60616437026553 0.95917536396566 0.85556161064796 18.998 > 25 29 F 0.14383562973448 0.04082463603434 0.10556161064796 18.998 > 29 30 F 0.64383562973447 0.04082463603434 0.10556161064796 18.998 > 29 31 F 0.14383562973448 0.04082463603434 0.60556161064796 18.998 > 29 32 F 0.64383562973447 0.04082463603434 0.60556161064796 18.998 > 29 33 F 0.48761682909332 0.25000000000000 0.46169066764740 18.998 > 33 34 F 0.98761682909332 0.25000000000000 0.46169066764740 18.998 > 33 35 F 0.48761682909332 0.25000000000000 0.96169066764740 18.998 > 33 36 F 0.98761682909332 0.25000000000000 0.96169066764740 18.998 > 33 37 F 0.26238317090668 0.75000000000000 0.21169066764740 18.998 > 37 38 F 0.76238317090668 0.75000000000000 0.21169066764740 18.998 > 37 39 F 0.26238317090668 0.75000000000000 0.71169066764740 18.998 > 37 40 F 0.76238317090668 0.75000000000000 0.71169066764740 18.998 > 37 41 F 0.23761682909332 0.25000000000000 0.28830933235260 18.998 > 41 42 F 0.73761682909332 0.25000000000000 0.28830933235260 18.998 > 41 43 F 0.23761682909332 0.25000000000000 0.78830933235260 18.998 > 41 44 F 0.73761682909332 0.25000000000000 0.78830933235260 18.998 > 41 45 F 0.01238317090668 0.75000000000000 0.03830933235260 18.998 > 45 46 F 0.51238317090668 0.75000000000000 0.03830933235260 18.998 > 45 47 F 0.01238317090668 0.75000000000000 0.53830933235260 18.998 > 45 48 F 0.51238317090668 0.75000000000000 0.53830933235260 18.998 > 45 49 K 0.01921969207810 0.25000000000000 0.24516579201256 39.098 > 49 50 K 0.51921969207810 0.25000000000000 0.24516579201256 39.098 > 49 51 K 0.01921969207810 0.25000000000000 0.74516579201256 39.098 > 49 52 K 0.51921969207810 0.25000000000000 0.74516579201256 39.098 > 49 53 K 0.23078030792190 0.75000000000000 0.49516579201256 39.098 > 53 54 K 0.73078030792190 0.75000000000000 0.49516579201256 39.098 > 53 55 K 0.23078030792190 0.75000000000000 0.99516579201256 39.098 > 53 56 K 0.73078030792190 0.75000000000000 0.99516579201256 39.098 > 53 57 K 0.26921969207810 0.25000000000000 0.00483420798744 39.098 > 57 58 K 0.76921969207810 0.25000000000000 0.00483420798744 39.098 > 57 59 K 0.26921969207810 0.25000000000000 0.50483420798743 39.098 > 57 60 K 0.76921969207810 0.25000000000000 0.50483420798743 39.098 > 57 61 K 0.48078030792190 0.75000000000000 0.25483420798744 39.098 > 61 62 K 0.98078030792190 0.75000000000000 0.25483420798744 39.098 > 61 63 K 0.48078030792190 0.75000000000000 0.75483420798744 39.098 > 61 64 K 0.98078030792190 0.75000000000000 0.75483420798744 39.098 > 61 65 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 65 66 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 65 67 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 65 68 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 65 69 Ca 0.25000000000000 0.00000000000000 0.25000000000000 40.078 > 69 70 Ca 0.75000000000000 0.00000000000000 0.25000000000000 40.078 > 69 71 Ca 0.25000000000000 0.00000000000000 0.75000000000000 40.078 > 69 72 Ca 0.75000000000000 0.00000000000000 0.75000000000000 40.078 > 69 73 Ca 0.25000000000000 0.50000000000000 0.25000000000000 40.078 > 73 74 Ca 0.75000000000000 0.50000000000000 0.25000000000000 40.078 > 73 75 Ca 0.25000000000000 0.50000000000000 0.75000000000000 40.078 > 73 76 Ca 0.75000000000000 0.50000000000000 0.75000000000000 40.078 > 73 77 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 77 78 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 77 79 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 77 80 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1074275 0.0000000 0.0000000 0.0000000 2.1076784 0.0000000 0.0000000 0.0000000 2.1102542 -------------------------- Born effective charges -------------------------- 1 F -1.2932878 0.0242969 -0.3354109 0.0207061 -0.9428749 0.0043052 -0.3336303 0.0061764 -1.2701774 2 F -1.2932878 0.0242969 0.3354109 0.0207061 -0.9428749 -0.0043052 0.3336303 -0.0061764 -1.2701774 3 F -1.2932878 -0.0242969 0.3354109 -0.0207061 -0.9428749 0.0043052 0.3336303 0.0061764 -1.2701774 4 F -1.2932878 -0.0242969 -0.3354109 -0.0207061 -0.9428749 -0.0043052 -0.3336303 -0.0061764 -1.2701774 5 F -1.2932878 0.0242969 -0.3354109 0.0207061 -0.9428749 0.0043052 -0.3336303 0.0061764 -1.2701774 6 F -1.2932878 0.0242969 0.3354109 0.0207061 -0.9428749 -0.0043052 0.3336303 -0.0061764 -1.2701774 7 F -1.2932878 -0.0242969 0.3354109 -0.0207061 -0.9428749 0.0043052 0.3336303 0.0061764 -1.2701774 8 F -1.2932878 -0.0242969 -0.3354109 -0.0207061 -0.9428749 -0.0043052 -0.3336303 -0.0061764 -1.2701774 9 F -0.9157167 0.0000000 0.0267330 0.0000000 -1.6182741 0.0000000 0.0198790 0.0000000 -0.9745139 10 F -0.9157167 0.0000000 -0.0267330 0.0000000 -1.6182741 0.0000000 -0.0198790 0.0000000 -0.9745139 11 F -0.9157167 0.0000000 -0.0267330 0.0000000 -1.6182741 0.0000000 -0.0198790 0.0000000 -0.9745139 12 F -0.9157167 0.0000000 0.0267330 0.0000000 -1.6182741 0.0000000 0.0198790 0.0000000 -0.9745139 13 K 1.1680291 0.0000000 0.0354100 0.0000000 1.1604651 0.0000000 0.0343783 0.0000000 1.1808518 14 K 1.1680291 0.0000000 -0.0354100 0.0000000 1.1604651 0.0000000 -0.0343783 0.0000000 1.1808518 15 K 1.1680291 0.0000000 -0.0354100 0.0000000 1.1604651 0.0000000 -0.0343783 0.0000000 1.1808518 16 K 1.1680291 0.0000000 0.0354100 0.0000000 1.1604651 0.0000000 0.0343783 0.0000000 1.1808518 17 Ca 2.3342631 -0.0429128 -0.0140555 -0.0514468 2.3435589 -0.0192936 0.0378430 0.0655825 2.3340169 18 Ca 2.3342631 -0.0429128 0.0140555 -0.0514468 2.3435589 0.0192936 -0.0378430 -0.0655825 2.3340169 19 Ca 2.3342631 0.0429128 0.0140555 0.0514468 2.3435589 -0.0192936 -0.0378430 0.0655825 2.3340169 20 Ca 2.3342631 0.0429128 -0.0140555 0.0514468 2.3435589 0.0192936 0.0378430 -0.0655825 2.3340169 ---------------------------------------------------------------------------- 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[ 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yzy) -0.00000001 (yzy) -0.00000001 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:05:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:05:12]------------------------- 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 6.215575040000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.698674690000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.119615680000002 Atomic positions (fractional): 1 F 0.28767125946895 0.45917536396566 0.21112322129593 18.998 2 F 0.21232874053105 0.54082463603434 0.71112322129593 18.998 3 F 0.78767125946895 0.04082463603434 0.28887677870407 18.998 4 F 0.71232874053105 0.95917536396566 0.78887677870407 18.998 5 F 0.71232874053105 0.54082463603434 0.78887677870407 18.998 6 F 0.78767125946895 0.45917536396566 0.28887677870407 18.998 7 F 0.21232874053105 0.95917536396566 0.71112322129593 18.998 8 F 0.28767125946895 0.04082463603434 0.21112322129593 18.998 9 F 0.97523365818664 0.25000000000000 0.92338133529480 18.998 10 F 0.52476634181336 0.75000000000000 0.42338133529480 18.998 11 F 0.47523365818664 0.25000000000000 0.57661866470520 18.998 12 F 0.02476634181335 0.75000000000000 0.07661866470520 18.998 13 K 0.03843938415620 0.25000000000000 0.49033158402513 39.098 14 K 0.46156061584380 0.75000000000000 0.99033158402513 39.098 15 K 0.53843938415620 0.25000000000000 0.00966841597487 39.098 16 K 0.96156061584380 0.75000000000000 0.50966841597487 39.098 17 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 18 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 19 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 20 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.431150080000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.698674690000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.239231360000003 Atomic positions (fractional): 1 F 0.14383562973448 0.45917536396566 0.10556161064796 18.998 > 1 2 F 0.64383562973447 0.45917536396566 0.10556161064796 18.998 > 1 3 F 0.14383562973448 0.45917536396566 0.60556161064796 18.998 > 1 4 F 0.64383562973447 0.45917536396566 0.60556161064796 18.998 > 1 5 F 0.10616437026552 0.54082463603434 0.35556161064796 18.998 > 5 6 F 0.60616437026553 0.54082463603434 0.35556161064796 18.998 > 5 7 F 0.10616437026552 0.54082463603434 0.85556161064796 18.998 > 5 8 F 0.60616437026553 0.54082463603434 0.85556161064796 18.998 > 5 9 F 0.39383562973448 0.04082463603434 0.14443838935204 18.998 > 9 10 F 0.89383562973447 0.04082463603434 0.14443838935204 18.998 > 9 11 F 0.39383562973448 0.04082463603434 0.64443838935204 18.998 > 9 12 F 0.89383562973447 0.04082463603434 0.64443838935204 18.998 > 9 13 F 0.35616437026552 0.95917536396566 0.39443838935204 18.998 > 13 14 F 0.85616437026553 0.95917536396566 0.39443838935204 18.998 > 13 15 F 0.35616437026552 0.95917536396566 0.89443838935204 18.998 > 13 16 F 0.85616437026553 0.95917536396566 0.89443838935204 18.998 > 13 17 F 0.35616437026552 0.54082463603434 0.39443838935204 18.998 > 17 18 F 0.85616437026553 0.54082463603434 0.39443838935204 18.998 > 17 19 F 0.35616437026552 0.54082463603434 0.89443838935204 18.998 > 17 20 F 0.85616437026553 0.54082463603434 0.89443838935204 18.998 > 17 21 F 0.39383562973448 0.45917536396566 0.14443838935204 18.998 > 21 22 F 0.89383562973447 0.45917536396566 0.14443838935204 18.998 > 21 23 F 0.39383562973448 0.45917536396566 0.64443838935204 18.998 > 21 24 F 0.89383562973447 0.45917536396566 0.64443838935204 18.998 > 21 25 F 0.10616437026552 0.95917536396566 0.35556161064796 18.998 > 25 26 F 0.60616437026553 0.95917536396566 0.35556161064796 18.998 > 25 27 F 0.10616437026552 0.95917536396566 0.85556161064796 18.998 > 25 28 F 0.60616437026553 0.95917536396566 0.85556161064796 18.998 > 25 29 F 0.14383562973448 0.04082463603434 0.10556161064796 18.998 > 29 30 F 0.64383562973447 0.04082463603434 0.10556161064796 18.998 > 29 31 F 0.14383562973448 0.04082463603434 0.60556161064796 18.998 > 29 32 F 0.64383562973447 0.04082463603434 0.60556161064796 18.998 > 29 33 F 0.48761682909332 0.25000000000000 0.46169066764740 18.998 > 33 34 F 0.98761682909332 0.25000000000000 0.46169066764740 18.998 > 33 35 F 0.48761682909332 0.25000000000000 0.96169066764740 18.998 > 33 36 F 0.98761682909332 0.25000000000000 0.96169066764740 18.998 > 33 37 F 0.26238317090668 0.75000000000000 0.21169066764740 18.998 > 37 38 F 0.76238317090668 0.75000000000000 0.21169066764740 18.998 > 37 39 F 0.26238317090668 0.75000000000000 0.71169066764740 18.998 > 37 40 F 0.76238317090668 0.75000000000000 0.71169066764740 18.998 > 37 41 F 0.23761682909332 0.25000000000000 0.28830933235260 18.998 > 41 42 F 0.73761682909332 0.25000000000000 0.28830933235260 18.998 > 41 43 F 0.23761682909332 0.25000000000000 0.78830933235260 18.998 > 41 44 F 0.73761682909332 0.25000000000000 0.78830933235260 18.998 > 41 45 F 0.01238317090668 0.75000000000000 0.03830933235260 18.998 > 45 46 F 0.51238317090668 0.75000000000000 0.03830933235260 18.998 > 45 47 F 0.01238317090668 0.75000000000000 0.53830933235260 18.998 > 45 48 F 0.51238317090668 0.75000000000000 0.53830933235260 18.998 > 45 49 K 0.01921969207810 0.25000000000000 0.24516579201256 39.098 > 49 50 K 0.51921969207810 0.25000000000000 0.24516579201256 39.098 > 49 51 K 0.01921969207810 0.25000000000000 0.74516579201256 39.098 > 49 52 K 0.51921969207810 0.25000000000000 0.74516579201256 39.098 > 49 53 K 0.23078030792190 0.75000000000000 0.49516579201256 39.098 > 53 54 K 0.73078030792190 0.75000000000000 0.49516579201256 39.098 > 53 55 K 0.23078030792190 0.75000000000000 0.99516579201256 39.098 > 53 56 K 0.73078030792190 0.75000000000000 0.99516579201256 39.098 > 53 57 K 0.26921969207810 0.25000000000000 0.00483420798744 39.098 > 57 58 K 0.76921969207810 0.25000000000000 0.00483420798744 39.098 > 57 59 K 0.26921969207810 0.25000000000000 0.50483420798743 39.098 > 57 60 K 0.76921969207810 0.25000000000000 0.50483420798743 39.098 > 57 61 K 0.48078030792190 0.75000000000000 0.25483420798744 39.098 > 61 62 K 0.98078030792190 0.75000000000000 0.25483420798744 39.098 > 61 63 K 0.48078030792190 0.75000000000000 0.75483420798744 39.098 > 61 64 K 0.98078030792190 0.75000000000000 0.75483420798744 39.098 > 61 65 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 65 66 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 65 67 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 65 68 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 65 69 Ca 0.25000000000000 0.00000000000000 0.25000000000000 40.078 > 69 70 Ca 0.75000000000000 0.00000000000000 0.25000000000000 40.078 > 69 71 Ca 0.25000000000000 0.00000000000000 0.75000000000000 40.078 > 69 72 Ca 0.75000000000000 0.00000000000000 0.75000000000000 40.078 > 69 73 Ca 0.25000000000000 0.50000000000000 0.25000000000000 40.078 > 73 74 Ca 0.75000000000000 0.50000000000000 0.25000000000000 40.078 > 73 75 Ca 0.25000000000000 0.50000000000000 0.75000000000000 40.078 > 73 76 Ca 0.75000000000000 0.50000000000000 0.75000000000000 40.078 > 73 77 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 77 78 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 77 79 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 77 80 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.1074275 0.0000000 0.0000000 0.0000000 2.1076784 0.0000000 0.0000000 0.0000000 2.1102542 -------------------------- Born effective charges -------------------------- 1 F -1.2932878 0.0242969 -0.3354109 0.0207061 -0.9428749 0.0043052 -0.3336303 0.0061764 -1.2701774 2 F -1.2932878 0.0242969 0.3354109 0.0207061 -0.9428749 -0.0043052 0.3336303 -0.0061764 -1.2701774 3 F -1.2932878 -0.0242969 0.3354109 -0.0207061 -0.9428749 0.0043052 0.3336303 0.0061764 -1.2701774 4 F -1.2932878 -0.0242969 -0.3354109 -0.0207061 -0.9428749 -0.0043052 -0.3336303 -0.0061764 -1.2701774 5 F -1.2932878 0.0242969 -0.3354109 0.0207061 -0.9428749 0.0043052 -0.3336303 0.0061764 -1.2701774 6 F -1.2932878 0.0242969 0.3354109 0.0207061 -0.9428749 -0.0043052 0.3336303 -0.0061764 -1.2701774 7 F -1.2932878 -0.0242969 0.3354109 -0.0207061 -0.9428749 0.0043052 0.3336303 0.0061764 -1.2701774 8 F -1.2932878 -0.0242969 -0.3354109 -0.0207061 -0.9428749 -0.0043052 -0.3336303 -0.0061764 -1.2701774 9 F -0.9157167 0.0000000 0.0267330 0.0000000 -1.6182741 0.0000000 0.0198790 0.0000000 -0.9745139 10 F -0.9157167 0.0000000 -0.0267330 0.0000000 -1.6182741 0.0000000 -0.0198790 0.0000000 -0.9745139 11 F -0.9157167 0.0000000 -0.0267330 0.0000000 -1.6182741 0.0000000 -0.0198790 0.0000000 -0.9745139 12 F -0.9157167 0.0000000 0.0267330 0.0000000 -1.6182741 0.0000000 0.0198790 0.0000000 -0.9745139 13 K 1.1680291 0.0000000 0.0354100 0.0000000 1.1604651 0.0000000 0.0343783 0.0000000 1.1808518 14 K 1.1680291 0.0000000 -0.0354100 0.0000000 1.1604651 0.0000000 -0.0343783 0.0000000 1.1808518 15 K 1.1680291 0.0000000 -0.0354100 0.0000000 1.1604651 0.0000000 -0.0343783 0.0000000 1.1808518 16 K 1.1680291 0.0000000 0.0354100 0.0000000 1.1604651 0.0000000 0.0343783 0.0000000 1.1808518 17 Ca 2.3342631 -0.0429128 -0.0140555 -0.0514468 2.3435589 -0.0192936 0.0378430 0.0655825 2.3340169 18 Ca 2.3342631 -0.0429128 0.0140555 -0.0514468 2.3435589 0.0192936 -0.0378430 -0.0655825 2.3340169 19 Ca 2.3342631 0.0429128 0.0140555 0.0514468 2.3435589 -0.0192936 -0.0378430 0.0655825 2.3340169 20 Ca 2.3342631 0.0429128 -0.0140555 0.0514468 2.3435589 0.0192936 0.0378430 -0.0655825 2.3340169 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yzy) -0.00000001 (yzy) -0.00000001 (yyz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 6 8 ] 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: 0.60, Number of G-points: 319, Lambda: 0.09 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: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 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 1.758 ( 0.000 0.000 0.000) 0.000 1.870 ( 0.000 0.000 0.000) 0.000 2.053 ( 0.000 0.000 0.000) 0.000 2.419 ( 0.000 0.000 0.000) 0.000 2.664 ( 0.000 0.000 0.000) 0.000 2.709 ( 0.000 0.000 0.000) 0.000 2.731 ( 0.000 0.000 0.000) 0.000 2.768 ( 0.000 0.000 0.000) 0.000 2.918 ( 0.000 0.000 0.000) 0.000 2.930 ( 0.000 0.000 0.000) 0.000 3.041 ( 0.000 0.000 0.000) 0.000 3.156 ( 0.000 0.000 0.000) 0.000 3.356 ( 0.000 0.000 0.000) 0.000 3.518 ( 0.000 0.000 0.000) 0.000 3.702 ( 0.000 0.000 0.000) 0.000 3.824 ( 0.000 0.000 0.000) 0.000 3.825 ( 0.000 0.000 0.000) 0.000 3.874 ( 0.000 0.000 0.000) 0.000 3.950 ( 0.000 0.000 0.000) 0.000 4.069 ( 0.000 0.000 0.000) 0.000 4.153 ( 0.000 0.000 0.000) 0.000 4.265 ( 0.000 0.000 0.000) 0.000 4.613 ( 0.000 0.000 0.000) 0.000 4.649 ( 0.000 0.000 0.000) 0.000 4.834 ( 0.000 0.000 0.000) 0.000 4.923 ( 0.000 0.000 0.000) 0.000 5.326 ( 0.000 0.000 0.000) 0.000 5.335 ( 0.000 0.000 0.000) 0.000 5.486 ( 0.000 0.000 0.000) 0.000 5.520 ( 0.000 0.000 0.000) 0.000 5.594 ( 0.000 0.000 0.000) 0.000 5.645 ( 0.000 0.000 0.000) 0.000 5.736 ( 0.000 0.000 0.000) 0.000 5.906 ( 0.000 0.000 0.000) 0.000 6.194 ( 0.000 0.000 0.000) 0.000 6.397 ( 0.000 0.000 0.000) 0.000 6.525 ( 0.000 0.000 0.000) 0.000 6.632 ( 0.000 0.000 0.000) 0.000 7.272 ( 0.000 0.000 0.000) 0.000 8.594 ( 0.000 0.000 0.000) 0.000 8.595 ( 0.000 0.000 0.000) 0.000 8.637 ( 0.000 0.000 0.000) 0.000 9.308 ( 0.000 0.000 0.000) 0.000 9.314 ( 0.000 0.000 0.000) 0.000 10.146 ( 0.000 0.000 0.000) 0.000 10.178 ( 0.000 0.000 0.000) 0.000 10.218 ( 0.000 0.000 0.000) 0.000 10.641 ( 0.000 0.000 0.000) 0.000 10.990 ( 0.000 0.000 0.000) 0.000 11.067 ( 0.000 0.000 0.000) 0.000 11.110 ( 0.000 0.000 0.000) 0.000 11.147 ( 0.000 0.000 0.000) 0.000 11.196 ( 0.000 0.000 0.000) 0.000 11.274 ( 0.000 0.000 0.000) 0.000 12.284 ( 0.000 0.000 0.000) 0.000 12.763 ( 0.000 0.000 0.000) 0.000 13.213 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 28.512 0.000 0.000) 28.512 0.678 ( 32.082 0.000 0.000) 32.082 1.096 ( 51.571 0.000 0.000) 51.571 1.821 ( 6.183 0.000 0.000) 6.183 1.961 ( 8.019 0.000 0.000) 8.019 2.246 ( 15.502 0.000 0.000) 15.502 2.366 ( -14.624 0.000 0.000) 14.624 2.407 ( -0.037 0.000 0.000) 0.037 2.696 ( -5.005 0.000 0.000) 5.005 2.774 ( -8.546 0.000 0.000) 8.546 2.865 ( -0.875 0.000 0.000) 0.875 2.923 ( -5.647 0.000 0.000) 5.647 2.962 ( -19.421 0.000 0.000) 19.421 3.012 ( 2.190 0.000 0.000) 2.190 3.049 ( 13.816 0.000 0.000) 13.816 3.209 ( 1.147 0.000 0.000) 1.147 3.614 ( -21.766 0.000 0.000) 21.766 3.804 ( -5.150 0.000 0.000) 5.150 3.805 ( -4.037 0.000 0.000) 4.037 3.913 ( -3.949 0.000 0.000) 3.949 3.915 ( 20.727 0.000 0.000) 20.727 3.946 ( 3.924 0.000 0.000) 3.924 4.200 ( 3.334 0.000 0.000) 3.334 4.217 ( -1.047 0.000 0.000) 1.047 4.586 ( 7.364 0.000 0.000) 7.364 4.724 ( 10.808 0.000 0.000) 10.808 4.739 ( 8.201 0.000 0.000) 8.201 4.852 ( 1.307 0.000 0.000) 1.307 4.992 ( 6.448 0.000 0.000) 6.448 5.305 ( -1.942 0.000 0.000) 1.942 5.374 ( 1.692 0.000 0.000) 1.692 5.509 ( 2.208 0.000 0.000) 2.208 5.596 ( 6.953 0.000 0.000) 6.953 5.642 ( 3.579 0.000 0.000) 3.579 5.654 ( 5.096 0.000 0.000) 5.096 5.756 ( 0.971 0.000 0.000) 0.971 6.171 ( -1.287 0.000 0.000) 1.287 6.455 ( 3.540 0.000 0.000) 3.540 6.484 ( -3.781 0.000 0.000) 3.781 6.603 ( -2.717 0.000 0.000) 2.717 7.165 ( -9.485 0.000 0.000) 9.485 7.250 ( 7.298 0.000 0.000) 7.298 8.442 ( -18.095 0.000 0.000) 18.095 8.462 ( -12.674 0.000 0.000) 12.674 8.645 ( 4.613 0.000 0.000) 4.613 9.125 ( -17.040 0.000 0.000) 17.040 9.267 ( -4.442 0.000 0.000) 4.442 10.248 ( 8.849 0.000 0.000) 8.849 10.256 ( 3.475 0.000 0.000) 3.475 10.278 ( 7.498 0.000 0.000) 7.498 10.574 ( -6.565 0.000 0.000) 6.565 10.911 ( -7.010 0.000 0.000) 7.010 11.092 ( -1.779 0.000 0.000) 1.779 11.128 ( -1.879 0.000 0.000) 1.879 11.197 ( 0.175 0.000 0.000) 0.175 11.254 ( -1.299 0.000 0.000) 1.299 12.440 ( 13.689 0.000 0.000) 13.689 12.835 ( 6.997 0.000 0.000) 6.997 13.240 ( 2.457 0.000 0.000) 2.457 14.150 ( -4.197 0.000 0.000) 4.197 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 27.319 0.000 0.000) 27.319 1.257 ( 24.665 0.000 0.000) 24.665 1.891 ( 18.032 0.000 0.000) 18.032 2.046 ( 18.823 0.000 0.000) 18.823 2.125 ( 6.498 0.000 0.000) 6.498 2.152 ( -5.281 0.000 0.000) 5.281 2.240 ( -9.040 0.000 0.000) 9.040 2.592 ( -9.120 0.000 0.000) 9.120 2.662 ( 5.125 0.000 0.000) 5.125 2.682 ( 5.713 0.000 0.000) 5.713 2.766 ( -9.092 0.000 0.000) 9.092 2.770 ( 12.056 0.000 0.000) 12.056 2.820 ( -3.506 0.000 0.000) 3.506 2.984 ( -5.600 0.000 0.000) 5.600 3.109 ( -9.547 0.000 0.000) 9.547 3.172 ( -15.794 0.000 0.000) 15.794 3.332 ( 12.025 0.000 0.000) 12.025 3.664 ( -6.756 0.000 0.000) 6.756 3.802 ( 3.823 0.000 0.000) 3.823 3.857 ( -2.655 0.000 0.000) 2.655 4.104 ( 10.160 0.000 0.000) 10.160 4.185 ( -2.260 0.000 0.000) 2.260 4.254 ( 1.507 0.000 0.000) 1.507 4.268 ( 14.265 0.000 0.000) 14.265 4.694 ( 5.681 0.000 0.000) 5.681 4.868 ( 0.244 0.000 0.000) 0.244 4.922 ( 6.876 0.000 0.000) 6.876 4.948 ( 11.907 0.000 0.000) 11.907 5.156 ( 8.458 0.000 0.000) 8.458 5.283 ( -0.163 0.000 0.000) 0.163 5.317 ( -5.502 0.000 0.000) 5.502 5.568 ( 3.305 0.000 0.000) 3.305 5.752 ( 7.305 0.000 0.000) 7.305 5.753 ( -1.304 0.000 0.000) 1.304 5.770 ( 8.935 0.000 0.000) 8.935 5.947 ( 21.982 0.000 0.000) 21.982 6.158 ( -0.226 0.000 0.000) 0.226 6.401 ( -3.190 0.000 0.000) 3.190 6.420 ( -9.665 0.000 0.000) 9.665 6.530 ( -4.340 0.000 0.000) 4.340 7.015 ( -1.023 0.000 0.000) 1.023 7.463 ( 13.532 0.000 0.000) 13.532 7.972 ( -27.258 0.000 0.000) 27.258 8.113 ( -21.283 0.000 0.000) 21.283 8.699 ( -24.254 0.000 0.000) 24.254 8.733 ( 1.257 0.000 0.000) 1.257 9.177 ( -1.805 0.000 0.000) 1.805 10.272 ( -11.502 0.000 0.000) 11.502 10.339 ( 4.363 0.000 0.000) 4.363 10.451 ( 10.476 0.000 0.000) 10.476 10.548 ( 7.137 0.000 0.000) 7.137 10.753 ( -7.732 0.000 0.000) 7.732 11.039 ( -3.519 0.000 0.000) 3.519 11.074 ( -3.427 0.000 0.000) 3.427 11.202 ( 0.294 0.000 0.000) 0.294 11.235 ( -0.665 0.000 0.000) 0.665 12.757 ( 16.280 0.000 0.000) 16.280 13.030 ( 11.881 0.000 0.000) 11.881 13.294 ( 2.444 0.000 0.000) 2.444 14.025 ( -8.111 0.000 0.000) 8.111 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 15.442 0.000 0.000) 15.442 1.669 ( 24.780 0.000 0.000) 24.780 2.090 ( 5.610 0.000 0.000) 5.610 2.091 ( -3.892 0.000 0.000) 3.892 2.165 ( -2.826 0.000 0.000) 2.826 2.195 ( 9.041 0.000 0.000) 9.041 2.230 ( -0.111 0.000 0.000) 0.111 2.419 ( -9.027 0.000 0.000) 9.027 2.556 ( -11.552 0.000 0.000) 11.552 2.630 ( -8.632 0.000 0.000) 8.632 2.653 ( -8.514 0.000 0.000) 8.514 2.659 ( 0.440 0.000 0.000) 0.440 2.810 ( -9.487 0.000 0.000) 9.487 2.880 ( -11.703 0.000 0.000) 11.703 3.146 ( 16.874 0.000 0.000) 16.874 3.425 ( 27.844 0.000 0.000) 27.844 3.534 ( 7.926 0.000 0.000) 7.926 3.549 ( -5.379 0.000 0.000) 5.379 3.813 ( -0.296 0.000 0.000) 0.296 3.913 ( 6.246 0.000 0.000) 6.246 4.125 ( -3.791 0.000 0.000) 3.791 4.234 ( -4.433 0.000 0.000) 4.433 4.315 ( 10.035 0.000 0.000) 10.035 4.478 ( 5.801 0.000 0.000) 5.801 4.820 ( 5.983 0.000 0.000) 5.983 4.875 ( 0.671 0.000 0.000) 0.671 5.043 ( 7.549 0.000 0.000) 7.549 5.174 ( 8.805 0.000 0.000) 8.805 5.227 ( -1.961 0.000 0.000) 1.961 5.282 ( 3.717 0.000 0.000) 3.717 5.292 ( 0.837 0.000 0.000) 0.837 5.613 ( 0.669 0.000 0.000) 0.669 5.704 ( -3.372 0.000 0.000) 3.372 5.773 ( -15.255 0.000 0.000) 15.255 5.919 ( 8.542 0.000 0.000) 8.542 6.140 ( -1.612 0.000 0.000) 1.612 6.231 ( -0.705 0.000 0.000) 0.705 6.433 ( -5.247 0.000 0.000) 5.247 6.439 ( 9.202 0.000 0.000) 9.202 6.461 ( 27.530 0.000 0.000) 27.530 7.167 ( 14.771 0.000 0.000) 14.771 7.392 ( -29.166 0.000 0.000) 29.166 7.630 ( -26.207 0.000 0.000) 26.207 7.753 ( 11.721 0.000 0.000) 11.721 8.209 ( -20.575 0.000 0.000) 20.575 8.591 ( -14.086 0.000 0.000) 14.086 9.299 ( 12.752 0.000 0.000) 12.752 9.966 ( -17.218 0.000 0.000) 17.218 10.424 ( 4.117 0.000 0.000) 4.117 10.601 ( -3.261 0.000 0.000) 3.261 10.667 ( 6.632 0.000 0.000) 6.632 10.717 ( 8.394 0.000 0.000) 8.394 10.950 ( -5.318 0.000 0.000) 5.318 10.989 ( -5.025 0.000 0.000) 5.025 11.209 ( 0.351 0.000 0.000) 0.351 11.224 ( -0.432 0.000 0.000) 0.432 13.053 ( 12.517 0.000 0.000) 12.517 13.294 ( 13.953 0.000 0.000) 13.953 13.316 ( -0.832 0.000 0.000) 0.832 13.828 ( -11.394 0.000 0.000) 11.394 ======================= Grid point 4 (5/100) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -14.827 0.000 0.000) 14.827 1.950 ( 14.827 0.000 0.000) 14.827 2.064 ( -7.664 0.000 0.000) 7.664 2.064 ( 7.664 0.000 0.000) 7.664 2.152 ( -15.285 0.000 0.000) 15.285 2.152 ( 15.285 0.000 0.000) 15.285 2.323 ( -9.781 0.000 0.000) 9.781 2.323 ( 9.781 0.000 0.000) 9.781 2.434 ( -11.892 0.000 0.000) 11.892 2.434 ( 11.892 0.000 0.000) 11.892 2.670 ( -8.448 0.000 0.000) 8.448 2.670 ( 8.448 0.000 0.000) 8.448 2.688 ( -2.797 0.000 0.000) 2.797 2.688 ( 2.797 0.000 0.000) 2.797 3.408 ( -9.435 0.000 0.000) 9.435 3.408 ( 9.435 0.000 0.000) 9.435 3.648 ( -2.819 0.000 0.000) 2.819 3.648 ( 2.819 0.000 0.000) 2.819 4.027 ( -5.656 0.000 0.000) 5.656 4.027 ( 5.656 0.000 0.000) 5.656 4.037 ( -5.159 0.000 0.000) 5.159 4.037 ( 5.159 0.000 0.000) 5.159 4.478 ( -5.238 0.000 0.000) 5.238 4.478 ( 5.238 0.000 0.000) 5.238 4.884 ( -0.495 0.000 0.000) 0.495 4.884 ( 0.495 0.000 0.000) 0.495 5.243 ( -1.369 0.000 0.000) 1.369 5.243 ( 1.369 0.000 0.000) 1.369 5.289 ( -6.103 0.000 0.000) 6.103 5.289 ( 6.103 0.000 0.000) 6.103 5.355 ( -14.982 0.000 0.000) 14.982 5.355 ( 14.982 0.000 0.000) 14.982 5.635 ( -2.677 0.000 0.000) 2.677 5.635 ( 2.677 0.000 0.000) 2.677 6.068 ( -5.810 0.000 0.000) 5.810 6.068 ( 5.810 0.000 0.000) 5.810 6.320 ( -5.979 0.000 0.000) 5.979 6.320 ( 5.979 0.000 0.000) 5.979 6.769 ( -18.186 0.000 0.000) 18.186 6.769 ( 18.186 0.000 0.000) 18.186 7.099 ( -22.239 0.000 0.000) 22.239 7.099 ( 22.239 0.000 0.000) 22.239 7.559 ( -22.283 0.000 0.000) 22.283 7.559 ( 22.283 0.000 0.000) 22.283 8.258 ( -16.955 0.000 0.000) 16.955 8.258 ( 16.955 0.000 0.000) 16.955 9.613 ( -17.341 0.000 0.000) 17.341 9.613 ( 17.341 0.000 0.000) 17.341 10.508 ( -4.362 0.000 0.000) 4.362 10.508 ( 4.362 0.000 0.000) 4.362 10.824 ( -7.221 0.000 0.000) 7.221 10.824 ( 7.221 0.000 0.000) 7.221 10.871 ( -6.792 0.000 0.000) 6.792 10.871 ( 6.792 0.000 0.000) 6.792 11.216 ( -0.378 0.000 0.000) 0.378 11.216 ( 0.378 0.000 0.000) 0.378 13.245 ( -6.463 0.000 0.000) 6.463 13.245 ( 6.463 0.000 0.000) 6.463 13.575 ( -13.559 0.000 0.000) 13.559 13.575 ( 13.559 0.000 0.000) 13.559 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( 0.000 27.151 0.000) 27.151 0.556 ( 0.000 28.528 0.000) 28.528 1.152 ( 0.000 56.610 0.000) 56.610 1.744 ( 0.000 -0.766 0.000) 0.766 1.835 ( 0.000 -3.944 0.000) 3.944 2.275 ( 0.000 -11.790 0.000) 11.790 2.363 ( 0.000 -13.082 0.000) 13.082 2.552 ( 0.000 -7.184 0.000) 7.184 2.655 ( 0.000 -6.781 0.000) 6.781 2.776 ( 0.000 4.079 0.000) 4.079 2.803 ( 0.000 2.184 0.000) 2.184 2.934 ( 0.000 0.967 0.000) 0.967 2.966 ( 0.000 -4.401 0.000) 4.401 3.122 ( 0.000 13.358 0.000) 13.358 3.186 ( 0.000 3.021 0.000) 3.021 3.361 ( 0.000 0.432 0.000) 0.432 3.679 ( 0.000 -2.680 0.000) 2.680 3.703 ( 0.000 -8.438 0.000) 8.438 3.860 ( 0.000 3.608 0.000) 3.608 3.974 ( 0.000 -6.667 0.000) 6.667 4.102 ( 0.000 16.338 0.000) 16.338 4.105 ( 0.000 -5.347 0.000) 5.347 4.169 ( 0.000 0.571 0.000) 0.571 4.259 ( 0.000 31.305 0.000) 31.305 4.260 ( 0.000 -0.033 0.000) 0.033 4.566 ( 0.000 -4.857 0.000) 4.857 4.584 ( 0.000 -3.298 0.000) 3.298 4.895 ( 0.000 2.792 0.000) 2.792 4.986 ( 0.000 6.076 0.000) 6.076 5.175 ( 0.000 -9.858 0.000) 9.858 5.438 ( 0.000 10.368 0.000) 10.368 5.537 ( 0.000 2.440 0.000) 2.440 5.568 ( 0.000 -5.405 0.000) 5.405 5.612 ( 0.000 1.169 0.000) 1.169 5.676 ( 0.000 13.638 0.000) 13.638 5.980 ( 0.000 5.938 0.000) 5.938 6.163 ( 0.000 -3.096 0.000) 3.096 6.343 ( 0.000 -5.378 0.000) 5.378 6.541 ( 0.000 -7.825 0.000) 7.825 6.588 ( 0.000 6.219 0.000) 6.219 7.063 ( 0.000 14.409 0.000) 14.409 7.228 ( 0.000 -4.488 0.000) 4.488 8.328 ( 0.000 -27.152 0.000) 27.152 8.642 ( 0.000 4.785 0.000) 4.785 8.843 ( 0.000 5.646 0.000) 5.646 9.231 ( 0.000 -6.883 0.000) 6.883 9.240 ( 0.000 -7.730 0.000) 7.730 10.148 ( 0.000 0.112 0.000) 0.112 10.176 ( 0.000 -0.212 0.000) 0.212 10.224 ( 0.000 -35.959 0.000) 35.959 10.338 ( 0.000 10.513 0.000) 10.513 11.038 ( 0.000 0.148 0.000) 0.148 11.060 ( 0.000 -0.365 0.000) 0.365 11.107 ( 0.000 -1.131 0.000) 1.131 11.141 ( 0.000 -4.621 0.000) 4.621 11.144 ( 0.000 -0.272 0.000) 0.272 12.615 ( 0.000 27.625 0.000) 27.625 12.818 ( 0.000 5.348 0.000) 5.348 13.204 ( 0.000 -1.022 0.000) 1.022 14.211 ( 0.000 -7.402 0.000) 7.402 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.12 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 23.433 14.857 0.000) 27.746 0.925 ( 21.225 21.657 0.000) 30.324 1.512 ( 34.564 38.973 0.000) 52.092 1.804 ( 5.616 -0.981 0.000) 5.701 1.917 ( 7.106 -4.835 0.000) 8.594 2.256 ( -1.336 -9.266 0.000) 9.362 2.350 ( -11.885 -1.065 0.000) 11.933 2.371 ( 7.704 -4.502 0.000) 8.923 2.642 ( -6.037 1.452 0.000) 6.209 2.781 ( 1.990 -9.437 0.000) 9.644 2.797 ( -7.126 0.127 0.000) 7.127 2.930 ( -0.122 3.740 0.000) 3.742 2.941 ( -3.188 -0.387 0.000) 3.212 3.083 ( -15.733 7.058 0.000) 17.244 3.132 ( 2.378 -0.830 0.000) 2.519 3.323 ( 7.210 11.844 0.000) 13.866 3.465 ( -16.643 -8.686 0.000) 18.774 3.619 ( -5.160 -10.897 0.000) 12.057 3.835 ( 0.559 0.001 0.000) 0.559 3.967 ( 1.804 -1.416 0.000) 2.294 4.069 ( -3.935 11.566 0.000) 12.217 4.154 ( 4.149 13.835 0.000) 14.443 4.250 ( 2.391 2.282 0.000) 3.306 4.254 ( 1.565 15.030 0.000) 15.111 4.496 ( 14.739 -8.783 0.000) 17.157 4.638 ( 8.326 -4.073 0.000) 9.268 4.684 ( 7.864 -0.724 0.000) 7.897 4.921 ( 2.116 3.952 0.000) 4.483 5.035 ( 4.993 4.656 0.000) 6.827 5.211 ( 3.811 -7.315 0.000) 8.248 5.442 ( 4.477 0.958 0.000) 4.579 5.543 ( 0.782 3.151 0.000) 3.247 5.621 ( -0.743 3.440 0.000) 3.519 5.717 ( 4.110 11.311 0.000) 12.035 5.747 ( 10.377 4.398 0.000) 11.271 5.938 ( -1.638 13.477 0.000) 13.576 6.140 ( -1.563 -3.014 0.000) 3.395 6.382 ( 2.208 -6.064 0.000) 6.453 6.531 ( -1.694 -7.344 0.000) 7.537 6.556 ( -2.965 5.890 0.000) 6.594 7.125 ( -9.182 -4.063 0.000) 10.041 7.198 ( 9.708 3.341 0.000) 10.267 8.348 ( -0.732 -23.357 0.000) 23.368 8.556 ( -5.617 2.246 0.000) 6.049 8.589 ( -20.716 10.287 0.000) 23.129 9.063 ( -16.248 -6.745 0.000) 17.592 9.174 ( -5.641 -7.673 0.000) 9.523 10.100 ( -7.078 -30.766 0.000) 31.569 10.251 ( 8.931 0.334 0.000) 8.937 10.328 ( 8.677 -5.372 0.000) 10.205 10.371 ( 3.010 10.064 0.000) 10.505 10.960 ( -5.001 2.317 0.000) 5.512 11.092 ( -1.622 -0.333 0.000) 1.655 11.124 ( -1.800 -0.620 0.000) 1.904 11.138 ( 2.345 -6.513 0.000) 6.922 11.143 ( 0.154 -4.832 0.000) 4.834 12.717 ( 9.337 24.138 0.000) 25.881 12.887 ( 6.654 5.001 0.000) 8.323 13.235 ( 2.805 -0.682 0.000) 2.887 14.144 ( -5.208 -3.752 0.000) 6.419 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 19.706 4.031 0.000) 20.114 1.310 ( 18.105 13.890 0.000) 22.819 1.929 ( 5.952 -1.254 0.000) 6.083 2.060 ( 5.377 -6.055 0.000) 8.098 2.151 ( 6.104 1.094 0.000) 6.201 2.169 ( -4.227 1.134 0.000) 4.377 2.299 ( 18.718 18.014 0.000) 25.978 2.464 ( -4.628 -12.064 0.000) 12.921 2.619 ( -8.594 2.591 0.000) 8.976 2.660 ( 4.926 -1.042 0.000) 5.035 2.678 ( -10.803 -6.549 0.000) 12.634 2.863 ( 11.474 9.518 0.000) 14.908 2.949 ( -0.945 -2.019 0.000) 2.229 3.036 ( -0.172 -5.430 0.000) 5.433 3.080 ( -12.025 10.174 0.000) 15.751 3.091 ( -4.561 -4.316 0.000) 6.279 3.439 ( 5.043 9.816 0.000) 11.035 3.594 ( 0.926 -6.548 0.000) 6.613 3.786 ( -3.825 -4.592 0.000) 5.977 3.963 ( -4.249 13.410 0.000) 14.067 4.043 ( 1.791 -9.258 0.000) 9.429 4.283 ( 3.390 10.155 0.000) 10.706 4.320 ( 8.437 12.854 0.000) 15.376 4.384 ( 10.560 4.706 0.000) 11.561 4.678 ( 7.142 -2.022 0.000) 7.423 4.814 ( 3.539 -2.483 0.000) 4.324 4.854 ( 9.538 -4.465 0.000) 10.531 4.992 ( 5.790 4.652 0.000) 7.427 5.160 ( 6.397 1.047 0.000) 6.482 5.321 ( 6.474 1.275 0.000) 6.598 5.513 ( -4.650 13.134 0.000) 13.933 5.578 ( 2.524 2.278 0.000) 3.400 5.608 ( 6.662 -9.400 0.000) 11.521 5.824 ( 5.254 6.285 0.000) 8.192 5.874 ( -0.839 13.851 0.000) 13.876 6.083 ( 18.589 7.921 0.000) 20.206 6.114 ( -1.086 -3.584 0.000) 3.745 6.361 ( -6.568 -5.041 0.000) 8.280 6.471 ( -4.225 5.527 0.000) 6.957 6.479 ( -3.041 -4.468 0.000) 5.405 6.972 ( -1.868 -4.210 0.000) 4.606 7.417 ( 11.739 -1.622 0.000) 11.850 8.101 ( -26.272 10.936 0.000) 28.457 8.126 ( -18.946 -1.605 0.000) 19.013 8.590 ( 5.632 -14.127 0.000) 15.209 8.648 ( -23.800 -5.375 0.000) 24.400 9.023 ( -7.713 -11.832 0.000) 14.124 9.903 ( -12.101 -33.007 0.000) 35.156 10.444 ( 3.899 9.167 0.000) 9.962 10.456 ( 10.554 0.446 0.000) 10.564 10.522 ( 9.900 -1.157 0.000) 9.967 10.837 ( -6.712 4.672 0.000) 8.178 11.041 ( -3.453 0.149 0.000) 3.456 11.071 ( -3.398 -0.269 0.000) 3.409 11.149 ( 0.372 -5.246 0.000) 5.259 11.160 ( 0.387 -6.318 0.000) 6.330 12.945 ( 12.148 17.298 0.000) 21.137 13.072 ( 11.291 4.053 0.000) 11.997 13.301 ( 3.241 0.437 0.000) 3.270 14.014 ( -7.880 -2.174 0.000) 8.174 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.38 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 11.455 -4.083 0.000) 12.162 1.656 ( 16.045 0.764 0.000) 16.064 1.973 ( -1.082 -4.820 0.000) 4.940 2.115 ( 0.770 -5.022 0.000) 5.081 2.181 ( -2.661 -4.673 0.000) 5.377 2.192 ( 4.153 -1.538 0.000) 4.428 2.324 ( 0.230 2.577 0.000) 2.587 2.381 ( -15.513 -5.632 0.000) 16.504 2.504 ( -4.315 1.725 0.000) 4.647 2.523 ( -7.192 -4.541 0.000) 8.506 2.578 ( 2.356 7.834 0.000) 8.180 2.852 ( -6.096 1.764 0.000) 6.346 2.946 ( -4.019 15.048 0.000) 15.575 3.007 ( -5.587 5.876 0.000) 8.108 3.157 ( 16.305 2.457 0.000) 16.489 3.467 ( 26.873 6.129 0.000) 27.564 3.503 ( -0.328 7.625 0.000) 7.632 3.591 ( 0.081 -2.766 0.000) 2.767 3.738 ( 1.866 -5.352 0.000) 5.668 3.941 ( 1.588 3.126 0.000) 3.506 4.037 ( -1.687 -7.508 0.000) 7.695 4.271 ( -4.305 4.990 0.000) 6.590 4.534 ( 9.856 16.749 0.000) 19.434 4.589 ( 7.685 4.608 0.000) 8.961 4.833 ( 8.341 2.138 0.000) 8.611 4.861 ( 2.807 -0.331 0.000) 2.826 5.023 ( 9.037 -0.954 0.000) 9.087 5.112 ( 4.841 -0.315 0.000) 4.851 5.254 ( 1.982 -2.185 0.000) 2.950 5.373 ( -6.101 12.168 0.000) 13.612 5.432 ( 2.670 8.494 0.000) 8.904 5.599 ( -2.231 -1.897 0.000) 2.928 5.795 ( 9.831 -10.101 0.000) 14.095 5.803 ( -11.215 4.427 0.000) 12.058 5.822 ( -3.721 12.400 0.000) 12.947 6.057 ( -3.924 -7.041 0.000) 8.060 6.212 ( -0.361 -0.706 0.000) 0.793 6.361 ( -1.574 -5.027 0.000) 5.268 6.520 ( 10.042 6.875 0.000) 12.170 6.582 ( 22.385 9.177 0.000) 24.193 7.108 ( 14.061 -5.505 0.000) 15.100 7.430 ( -21.916 3.067 0.000) 22.129 7.681 ( -24.195 3.663 0.000) 24.471 7.776 ( 2.642 2.799 0.000) 3.849 8.171 ( -19.123 -3.790 0.000) 19.494 8.545 ( -12.147 -4.882 0.000) 13.092 9.031 ( 10.191 -24.552 0.000) 26.583 9.626 ( -15.127 -30.680 0.000) 34.207 10.522 ( 3.853 8.306 0.000) 9.156 10.651 ( 7.223 1.353 0.000) 7.349 10.706 ( 4.369 1.875 0.000) 4.754 10.719 ( 0.486 3.149 0.000) 3.186 10.953 ( -5.284 0.269 0.000) 5.290 10.987 ( -5.046 -0.256 0.000) 5.052 11.157 ( 0.325 -5.182 0.000) 5.192 11.163 ( 0.018 -5.701 0.000) 5.701 13.168 ( 9.430 10.911 0.000) 14.422 13.321 ( 12.486 2.606 0.000) 12.756 13.345 ( 1.286 2.639 0.000) 2.936 13.826 ( -10.727 -0.664 0.000) 10.747 ======================= Grid point 13 (10/100) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -7.853 -9.426 0.000) 12.269 1.807 ( 7.853 -9.426 0.000) 12.269 2.025 ( -12.633 -5.040 0.000) 13.601 2.025 ( 12.633 -5.040 0.000) 13.601 2.119 ( -1.287 -2.053 0.000) 2.423 2.119 ( 1.287 -2.053 0.000) 2.423 2.321 ( -5.029 -2.658 0.000) 5.688 2.321 ( 5.029 -2.658 0.000) 5.688 2.442 ( -2.867 -1.741 0.000) 3.354 2.442 ( 2.867 -1.741 0.000) 3.354 2.730 ( -7.286 8.867 0.000) 11.476 2.730 ( 7.286 8.867 0.000) 11.476 2.901 ( -1.811 14.668 0.000) 14.779 2.901 ( 1.811 14.668 0.000) 14.779 3.408 ( -8.540 2.845 0.000) 9.002 3.408 ( 8.540 2.845 0.000) 9.002 3.619 ( -1.494 -0.811 0.000) 1.700 3.619 ( 1.494 -0.811 0.000) 1.700 3.990 ( -2.697 -3.941 0.000) 4.776 3.990 ( 2.697 -3.941 0.000) 4.776 4.062 ( -17.527 3.628 0.000) 17.899 4.062 ( 17.527 3.628 0.000) 17.899 4.651 ( -1.393 8.979 0.000) 9.086 4.651 ( 1.393 8.979 0.000) 9.086 4.929 ( -1.269 7.927 0.000) 8.028 4.929 ( 1.269 7.927 0.000) 8.028 5.183 ( -2.424 -2.592 0.000) 3.549 5.183 ( 2.424 -2.592 0.000) 3.549 5.323 ( -18.207 -1.555 0.000) 18.274 5.323 ( 18.207 -1.555 0.000) 18.274 5.383 ( -4.864 5.215 0.000) 7.132 5.383 ( 4.864 5.215 0.000) 7.132 5.733 ( -4.145 9.663 0.000) 10.514 5.733 ( 4.145 9.663 0.000) 10.514 5.971 ( -6.699 -9.276 0.000) 11.442 5.971 ( 6.699 -9.276 0.000) 11.442 6.279 ( -4.862 -1.930 0.000) 5.231 6.279 ( 4.862 -1.930 0.000) 5.231 6.850 ( -17.296 7.440 0.000) 18.828 6.850 ( 17.296 7.440 0.000) 18.828 7.161 ( -18.563 5.317 0.000) 19.309 7.161 ( 18.563 5.317 0.000) 19.309 7.522 ( -20.985 -3.767 0.000) 21.321 7.522 ( 20.985 -3.767 0.000) 21.321 8.232 ( -16.098 -2.434 0.000) 16.281 8.232 ( 16.098 -2.434 0.000) 16.281 9.311 ( -15.710 -27.985 0.000) 32.093 9.311 ( 15.710 -27.985 0.000) 32.093 10.602 ( -4.286 7.504 0.000) 8.641 10.602 ( 4.286 7.504 0.000) 8.641 10.828 ( -7.160 0.357 0.000) 7.169 10.828 ( 7.160 0.357 0.000) 7.169 10.867 ( -6.858 -0.343 0.000) 6.867 10.867 ( 6.858 -0.343 0.000) 6.867 11.162 ( -0.173 -5.311 0.000) 5.314 11.162 ( 0.173 -5.311 0.000) 5.314 13.308 ( -4.306 5.979 0.000) 7.368 13.308 ( 4.306 5.979 0.000) 7.368 13.588 ( -12.768 1.044 0.000) 12.811 13.588 ( 12.768 1.044 0.000) 12.811 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 0.000 23.967 0.000) 23.967 1.083 ( 0.000 26.204 0.000) 26.204 1.690 ( 0.000 -0.465 0.000) 0.465 1.703 ( 0.000 -10.223 0.000) 10.223 2.042 ( 0.000 -11.435 0.000) 11.435 2.056 ( 0.000 -13.753 0.000) 13.753 2.181 ( 0.000 41.449 0.000) 41.449 2.444 ( 0.000 -3.846 0.000) 3.846 2.514 ( 0.000 -6.918 0.000) 6.918 2.821 ( 0.000 0.593 0.000) 0.593 2.836 ( 0.000 1.537 0.000) 1.537 2.895 ( 0.000 -1.754 0.000) 1.754 2.934 ( 0.000 -1.125 0.000) 1.125 3.270 ( 0.000 5.696 0.000) 5.696 3.313 ( 0.000 -9.056 0.000) 9.056 3.402 ( 0.000 14.413 0.000) 14.413 3.553 ( 0.000 -6.898 0.000) 6.898 3.631 ( 0.000 0.056 0.000) 0.056 3.840 ( 0.000 -7.178 0.000) 7.178 3.943 ( 0.000 -11.212 0.000) 11.212 3.949 ( 0.000 5.250 0.000) 5.250 4.134 ( 0.000 -3.569 0.000) 3.569 4.276 ( 0.000 1.641 0.000) 1.641 4.373 ( 0.000 12.759 0.000) 12.759 4.443 ( 0.000 -7.075 0.000) 7.075 4.571 ( 0.000 1.327 0.000) 1.327 4.858 ( 0.000 7.348 0.000) 7.348 4.880 ( 0.000 -3.989 0.000) 3.989 5.131 ( 0.000 8.494 0.000) 8.494 5.161 ( 0.000 24.681 0.000) 24.681 5.444 ( 0.000 -7.147 0.000) 7.147 5.620 ( 0.000 4.971 0.000) 4.971 5.642 ( 0.000 8.649 0.000) 8.649 5.667 ( 0.000 3.895 0.000) 3.895 6.005 ( 0.000 23.409 0.000) 23.409 6.087 ( 0.000 -4.138 0.000) 4.138 6.096 ( 0.000 5.935 0.000) 5.935 6.207 ( 0.000 -8.042 0.000) 8.042 6.373 ( 0.000 -9.037 0.000) 9.037 6.743 ( 0.000 9.468 0.000) 9.468 7.107 ( 0.000 -7.999 0.000) 7.999 7.484 ( 0.000 30.076 0.000) 30.076 7.617 ( 0.000 -44.978 0.000) 44.978 8.766 ( 0.000 7.777 0.000) 7.777 8.927 ( 0.000 -28.912 0.000) 28.912 8.991 ( 0.000 9.446 0.000) 9.446 9.087 ( 0.000 -8.018 0.000) 8.018 9.546 ( 0.000 -27.542 0.000) 27.542 10.154 ( 0.000 0.371 0.000) 0.371 10.170 ( 0.000 -0.368 0.000) 0.368 10.559 ( 0.000 11.862 0.000) 11.862 10.980 ( 0.000 -9.422 0.000) 9.422 11.042 ( 0.000 0.261 0.000) 0.261 11.054 ( 0.000 -0.317 0.000) 0.317 11.122 ( 0.000 0.282 0.000) 0.282 11.137 ( 0.000 -0.428 0.000) 0.428 12.945 ( 0.000 7.289 0.000) 7.289 13.165 ( 0.000 -3.249 0.000) 3.249 13.165 ( 0.000 27.830 0.000) 27.830 13.999 ( 0.000 -14.789 0.000) 14.789 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.12 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 12.209 18.340 0.000) 22.032 1.334 ( 17.379 21.399 0.000) 27.568 1.768 ( 5.536 -10.844 0.000) 12.175 1.777 ( 7.204 0.442 0.000) 7.218 2.011 ( -1.139 -9.304 0.000) 9.373 2.138 ( 8.009 -15.732 0.000) 17.653 2.348 ( -6.377 1.391 0.000) 6.527 2.351 ( 16.001 36.144 0.000) 39.528 2.583 ( 2.658 -9.780 0.000) 10.135 2.723 ( -5.101 4.474 0.000) 6.785 2.824 ( -5.060 2.500 0.000) 5.644 2.911 ( 2.676 -4.716 0.000) 5.423 2.961 ( -0.578 -0.266 0.000) 0.637 3.117 ( -6.300 1.941 0.000) 6.592 3.124 ( -13.529 -3.091 0.000) 13.878 3.398 ( -8.315 -8.791 0.000) 12.100 3.472 ( -8.873 7.908 0.000) 11.886 3.591 ( 8.834 11.921 0.000) 14.837 3.863 ( -4.048 -0.194 0.000) 4.052 3.896 ( -3.727 -3.425 0.000) 5.062 4.016 ( 4.092 -8.222 0.000) 9.184 4.174 ( 3.913 -11.625 0.000) 12.266 4.403 ( 12.736 1.674 0.000) 12.845 4.430 ( 5.534 12.641 0.000) 13.799 4.557 ( 10.036 -4.564 0.000) 11.025 4.567 ( -0.862 7.243 0.000) 7.294 4.764 ( -2.261 1.304 0.000) 2.610 5.040 ( 8.043 -9.225 0.000) 12.239 5.158 ( 2.402 7.421 0.000) 7.800 5.201 ( 4.418 29.191 0.000) 29.524 5.405 ( -0.076 -4.168 0.000) 4.169 5.647 ( 2.742 6.459 0.000) 7.017 5.717 ( 3.439 6.519 0.000) 7.371 5.853 ( 14.291 4.250 0.000) 14.910 5.975 ( -2.229 9.543 0.000) 9.800 6.108 ( 1.805 7.573 0.000) 7.785 6.135 ( 3.579 7.071 0.000) 7.925 6.238 ( 2.268 -7.046 0.000) 7.402 6.364 ( -0.078 -8.685 0.000) 8.686 6.697 ( -4.407 8.420 0.000) 9.504 7.015 ( -8.186 -7.210 0.000) 10.909 7.487 ( 0.644 26.439 0.000) 26.447 7.666 ( 4.490 -44.096 0.000) 44.324 8.674 ( -8.556 8.181 0.000) 11.838 8.769 ( -17.325 -1.398 0.000) 17.381 8.827 ( -12.814 -11.187 0.000) 17.011 9.016 ( -6.928 -8.636 0.000) 11.072 9.416 ( -10.508 -31.507 0.000) 33.213 10.261 ( 9.152 0.636 0.000) 9.174 10.292 ( 9.841 -0.974 0.000) 9.889 10.583 ( 2.202 11.399 0.000) 11.610 10.988 ( 0.778 -9.033 0.000) 9.066 10.992 ( -3.695 1.346 0.000) 3.932 11.056 ( -0.548 -2.672 0.000) 2.728 11.104 ( -1.755 0.233 0.000) 1.770 11.119 ( -1.794 -0.428 0.000) 1.844 13.006 ( 5.821 6.774 0.000) 8.932 13.204 ( 3.681 -2.720 0.000) 4.577 13.214 ( 4.475 25.675 0.000) 26.063 13.980 ( -2.020 -12.940 0.000) 13.097 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 10.244 8.695 0.000) 13.436 1.593 ( 8.847 15.003 0.000) 17.417 1.878 ( 4.514 -12.447 0.000) 13.240 1.890 ( 2.342 -1.260 0.000) 2.660 2.022 ( 2.074 -8.877 0.000) 9.116 2.226 ( -4.945 5.152 0.000) 7.141 2.241 ( -0.996 -12.530 0.000) 12.570 2.525 ( -9.191 -8.794 0.000) 12.720 2.651 ( -0.208 0.469 0.000) 0.513 2.699 ( -6.417 5.529 0.000) 8.470 2.708 ( -1.495 4.956 0.000) 5.177 2.947 ( 18.328 13.922 0.000) 23.016 2.969 ( -0.710 -5.801 0.000) 5.845 2.998 ( -2.573 4.946 0.000) 5.576 3.078 ( 11.642 8.912 0.000) 14.661 3.353 ( -2.170 14.132 0.000) 14.298 3.360 ( 4.221 -10.428 0.000) 11.250 3.723 ( 3.843 11.625 0.000) 12.243 3.752 ( -5.013 2.568 0.000) 5.632 3.854 ( -0.439 -10.616 0.000) 10.625 4.045 ( -1.375 -3.300 0.000) 3.575 4.306 ( 9.102 -14.015 0.000) 16.711 4.518 ( -1.569 10.847 0.000) 10.960 4.601 ( 8.420 15.013 0.000) 17.213 4.664 ( 12.213 2.215 0.000) 12.412 4.762 ( 1.697 -4.249 0.000) 4.575 4.789 ( 11.801 -2.867 0.000) 12.144 5.169 ( 5.333 -4.558 0.000) 7.015 5.214 ( 2.688 4.587 0.000) 5.316 5.330 ( 7.011 17.075 0.000) 18.459 5.446 ( 3.546 -7.243 0.000) 8.065 5.725 ( -2.397 10.207 0.000) 10.484 5.727 ( 4.306 11.232 0.000) 12.029 5.905 ( -4.846 -3.119 0.000) 5.763 6.109 ( 2.004 -4.538 0.000) 4.961 6.190 ( 5.932 18.942 0.000) 19.849 6.223 ( -5.966 -8.260 0.000) 10.189 6.224 ( 11.839 15.715 0.000) 19.675 6.434 ( 8.288 0.875 0.000) 8.334 6.600 ( -3.209 7.630 0.000) 8.277 6.867 ( -3.034 -6.372 0.000) 7.057 7.521 ( 2.510 15.148 0.000) 15.354 7.754 ( 1.969 -37.905 0.000) 37.956 8.318 ( -25.275 8.644 0.000) 26.712 8.475 ( -8.923 4.865 0.000) 10.164 8.485 ( -20.610 -10.376 0.000) 23.074 8.818 ( -12.369 -9.889 0.000) 15.836 9.187 ( -11.898 -37.436 0.000) 39.281 10.468 ( 10.563 0.743 0.000) 10.590 10.502 ( 10.415 -0.989 0.000) 10.462 10.636 ( 2.826 10.335 0.000) 10.715 10.906 ( -4.604 2.910 0.000) 5.447 11.005 ( 0.670 -7.733 0.000) 7.762 11.044 ( -0.467 -5.214 0.000) 5.235 11.052 ( -3.242 -0.294 0.000) 3.255 11.066 ( -3.429 -0.530 0.000) 3.470 13.166 ( 9.730 5.249 0.000) 11.056 13.298 ( 5.207 -1.005 0.000) 5.303 13.321 ( 5.507 20.133 0.000) 20.873 13.910 ( -5.003 -8.939 0.000) 10.243 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 5.384 1.639 0.000) 5.628 1.727 ( 4.233 6.374 0.000) 7.652 1.900 ( -1.016 -2.508 0.000) 2.706 1.932 ( 0.751 -13.450 0.000) 13.471 2.016 ( -3.042 -8.511 0.000) 9.039 2.169 ( -1.110 0.332 0.000) 1.159 2.186 ( -0.859 -13.871 0.000) 13.898 2.275 ( -13.282 -4.734 0.000) 14.100 2.527 ( -4.890 6.491 0.000) 8.127 2.599 ( -3.643 7.179 0.000) 8.050 2.734 ( 4.406 0.133 0.000) 4.408 2.873 ( -3.869 -3.403 0.000) 5.152 3.071 ( 3.874 6.983 0.000) 7.986 3.219 ( -3.648 13.903 0.000) 14.374 3.301 ( 13.756 9.608 0.000) 16.780 3.467 ( 4.724 -9.184 0.000) 10.328 3.643 ( 16.481 -1.986 0.000) 16.600 3.725 ( 12.746 18.227 0.000) 22.241 3.743 ( -1.708 12.149 0.000) 12.268 3.864 ( 1.407 -9.569 0.000) 9.672 3.980 ( -4.235 -0.435 0.000) 4.257 4.444 ( -6.539 11.874 0.000) 13.556 4.510 ( 9.730 -12.252 0.000) 15.645 4.694 ( -0.094 0.030 0.000) 0.098 4.904 ( 11.785 4.570 0.000) 12.640 4.905 ( 12.468 4.140 0.000) 13.137 5.020 ( 11.726 -0.474 0.000) 11.736 5.241 ( -0.535 2.312 0.000) 2.373 5.253 ( 2.375 5.787 0.000) 6.255 5.433 ( 1.234 -0.162 0.000) 1.245 5.504 ( 0.086 -5.002 0.000) 5.003 5.673 ( -9.851 6.738 0.000) 11.935 5.686 ( 1.271 5.496 0.000) 5.641 5.865 ( -0.185 -3.571 0.000) 3.576 5.954 ( -14.890 -1.813 0.000) 15.000 6.018 ( -7.036 -1.683 0.000) 7.234 6.343 ( 6.702 20.835 0.000) 21.887 6.423 ( 4.316 18.237 0.000) 18.740 6.671 ( 11.725 8.793 0.000) 14.656 6.746 ( 21.190 6.455 0.000) 22.152 6.979 ( 13.712 -7.499 0.000) 15.628 7.491 ( -11.568 4.264 0.000) 12.329 7.635 ( -14.228 -14.799 0.000) 20.529 7.841 ( -20.805 0.368 0.000) 20.808 8.102 ( -10.751 0.175 0.000) 10.752 8.398 ( -2.339 -9.080 0.000) 9.376 8.571 ( -7.356 -16.684 0.000) 18.233 8.939 ( -12.752 -37.726 0.000) 39.823 10.667 ( 8.978 0.738 0.000) 9.009 10.692 ( 2.669 8.998 0.000) 9.385 10.698 ( 8.897 -0.786 0.000) 8.932 10.820 ( -3.714 5.129 0.000) 6.332 10.960 ( -5.085 0.341 0.000) 5.096 10.980 ( -5.130 -0.454 0.000) 5.150 11.027 ( 0.428 -7.870 0.000) 7.881 11.038 ( -0.179 -6.710 0.000) 6.712 13.378 ( 10.389 2.798 0.000) 10.759 13.396 ( 4.550 2.127 0.000) 5.023 13.413 ( 3.216 13.295 0.000) 13.678 13.780 ( -7.922 -4.619 0.000) 9.170 ======================= Grid point 22 (15/100) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -6.721 -2.320 0.000) 7.110 1.683 ( 6.721 -2.320 0.000) 7.110 1.917 ( -2.110 -8.727 0.000) 8.978 1.917 ( 2.110 -8.727 0.000) 8.978 2.043 ( -7.230 -2.014 0.000) 7.505 2.043 ( 7.230 -2.014 0.000) 7.505 2.175 ( -0.497 -8.602 0.000) 8.617 2.175 ( 0.497 -8.602 0.000) 8.617 2.530 ( -3.246 8.582 0.000) 9.175 2.530 ( 3.246 8.582 0.000) 9.175 2.812 ( -2.943 -2.412 0.000) 3.805 2.812 ( 2.943 -2.412 0.000) 3.805 3.138 ( -3.416 12.055 0.000) 12.530 3.138 ( 3.416 12.055 0.000) 12.530 3.493 ( -3.853 -1.212 0.000) 4.039 3.493 ( 3.853 -1.212 0.000) 4.039 3.688 ( -2.089 9.023 0.000) 9.262 3.688 ( 2.089 9.023 0.000) 9.262 3.904 ( -2.980 -4.402 0.000) 5.316 3.904 ( 2.980 -4.402 0.000) 5.316 4.202 ( -18.707 11.712 0.000) 22.071 4.202 ( 18.707 11.712 0.000) 22.071 4.652 ( -4.217 -6.014 0.000) 7.346 4.652 ( 4.217 -6.014 0.000) 7.346 5.100 ( -2.608 3.509 0.000) 4.372 5.100 ( 2.608 3.509 0.000) 4.372 5.222 ( -4.677 4.589 0.000) 6.552 5.222 ( 4.677 4.589 0.000) 6.552 5.280 ( -13.615 0.738 0.000) 13.635 5.280 ( 13.615 0.738 0.000) 13.635 5.491 ( -3.202 3.628 0.000) 4.839 5.491 ( 3.202 3.628 0.000) 4.839 5.781 ( -5.962 -7.230 0.000) 9.371 5.781 ( 5.962 -7.230 0.000) 9.371 5.881 ( -5.000 0.436 0.000) 5.019 5.881 ( 5.000 0.436 0.000) 5.019 6.437 ( -2.344 23.524 0.000) 23.641 6.437 ( 2.344 23.524 0.000) 23.641 7.016 ( -15.223 8.959 0.000) 17.664 7.016 ( 15.223 8.959 0.000) 17.664 7.238 ( -7.800 0.965 0.000) 7.860 7.238 ( 7.800 0.965 0.000) 7.860 7.406 ( -16.571 -9.198 0.000) 18.953 7.406 ( 16.571 -9.198 0.000) 18.953 8.182 ( -12.531 -1.934 0.000) 12.680 8.182 ( 12.531 -1.934 0.000) 12.680 8.685 ( -11.819 -33.158 0.000) 35.201 8.685 ( 11.819 -33.158 0.000) 35.201 10.745 ( -2.543 7.153 0.000) 7.592 10.745 ( 2.543 7.153 0.000) 7.592 10.838 ( -6.770 0.742 0.000) 6.811 10.838 ( 6.770 0.742 0.000) 6.811 10.858 ( -7.008 -0.616 0.000) 7.035 10.858 ( 7.008 -0.616 0.000) 7.035 11.034 ( -0.254 -7.455 0.000) 7.459 11.034 ( 0.254 -7.455 0.000) 7.459 13.441 ( -0.564 7.006 0.000) 7.029 13.441 ( 0.564 7.006 0.000) 7.029 13.596 ( -10.165 -0.618 0.000) 10.183 13.596 ( 10.165 -0.618 0.000) 10.183 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 0.000 -17.977 0.000) 17.977 1.433 ( 0.000 17.977 0.000) 17.977 1.534 ( 0.000 -18.974 0.000) 18.974 1.534 ( 0.000 18.974 0.000) 18.974 1.886 ( 0.000 -2.546 0.000) 2.546 1.886 ( 0.000 2.546 0.000) 2.546 2.422 ( 0.000 -2.019 0.000) 2.019 2.422 ( 0.000 2.019 0.000) 2.019 2.785 ( 0.000 -8.666 0.000) 8.666 2.785 ( 0.000 8.666 0.000) 8.666 2.901 ( 0.000 -1.760 0.000) 1.760 2.901 ( 0.000 1.760 0.000) 1.760 2.968 ( 0.000 -21.614 0.000) 21.614 2.968 ( 0.000 21.614 0.000) 21.614 3.397 ( 0.000 -7.191 0.000) 7.191 3.397 ( 0.000 7.191 0.000) 7.191 3.696 ( 0.000 -14.022 0.000) 14.022 3.696 ( 0.000 14.022 0.000) 14.022 3.706 ( 0.000 -6.380 0.000) 6.380 3.706 ( 0.000 6.380 0.000) 6.380 4.049 ( 0.000 -5.013 0.000) 5.013 4.049 ( 0.000 5.013 0.000) 5.013 4.330 ( 0.000 -4.291 0.000) 4.291 4.330 ( 0.000 4.291 0.000) 4.291 4.562 ( 0.000 -5.152 0.000) 5.152 4.562 ( 0.000 5.152 0.000) 5.152 4.819 ( 0.000 -0.639 0.000) 0.639 4.819 ( 0.000 0.639 0.000) 0.639 5.295 ( 0.000 -8.326 0.000) 8.326 5.295 ( 0.000 8.326 0.000) 8.326 5.606 ( 0.000 -10.755 0.000) 10.755 5.606 ( 0.000 10.755 0.000) 10.755 5.721 ( 0.000 -0.366 0.000) 0.366 5.721 ( 0.000 0.366 0.000) 0.366 6.069 ( 0.000 -3.995 0.000) 3.995 6.069 ( 0.000 3.995 0.000) 3.995 6.216 ( 0.000 -7.051 0.000) 7.051 6.216 ( 0.000 7.051 0.000) 7.051 6.702 ( 0.000 -46.889 0.000) 46.889 6.702 ( 0.000 46.889 0.000) 46.889 6.933 ( 0.000 -9.847 0.000) 9.847 6.933 ( 0.000 9.847 0.000) 9.847 8.192 ( 0.000 -41.659 0.000) 41.659 8.192 ( 0.000 41.659 0.000) 41.659 8.926 ( 0.000 -8.628 0.000) 8.628 8.926 ( 0.000 8.628 0.000) 8.628 9.200 ( 0.000 -12.632 0.000) 12.632 9.200 ( 0.000 12.632 0.000) 12.632 10.162 ( 0.000 -0.427 0.000) 0.427 10.162 ( 0.000 0.427 0.000) 0.427 10.781 ( 0.000 -11.122 0.000) 11.122 10.781 ( 0.000 11.122 0.000) 11.122 11.048 ( 0.000 -0.317 0.000) 0.317 11.048 ( 0.000 0.317 0.000) 0.317 11.129 ( 0.000 -0.442 0.000) 0.442 11.129 ( 0.000 0.442 0.000) 0.442 13.076 ( 0.000 -5.978 0.000) 5.978 13.076 ( 0.000 5.978 0.000) 5.978 13.646 ( 0.000 -21.937 0.000) 21.937 13.646 ( 0.000 21.937 0.000) 21.937 ======================= Grid point 29 (17/100) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 6.184 -16.091 0.000) 17.238 1.507 ( 6.184 16.091 0.000) 17.238 1.718 ( 12.663 -15.995 0.000) 20.401 1.718 ( 12.663 15.995 0.000) 20.401 1.885 ( 2.012 -5.265 0.000) 5.637 1.885 ( 2.012 5.265 0.000) 5.637 2.422 ( -0.625 -6.471 0.000) 6.501 2.422 ( -0.625 6.471 0.000) 6.501 2.800 ( -3.817 -2.844 0.000) 4.760 2.800 ( -3.817 2.844 0.000) 4.760 2.899 ( -0.974 -4.676 0.000) 4.776 2.899 ( -0.974 4.676 0.000) 4.776 2.930 ( 3.479 -17.802 0.000) 18.139 2.930 ( 3.479 17.802 0.000) 18.139 3.228 ( -9.940 -8.160 0.000) 12.860 3.228 ( -9.940 8.160 0.000) 12.860 3.682 ( -1.977 -12.789 0.000) 12.941 3.682 ( -1.977 12.789 0.000) 12.941 3.822 ( 7.352 -11.481 0.000) 13.633 3.822 ( 7.352 11.481 0.000) 13.633 3.973 ( -5.144 -7.344 0.000) 8.966 3.973 ( -5.144 7.344 0.000) 8.966 4.470 ( 11.806 -4.328 0.000) 12.574 4.470 ( 11.806 4.328 0.000) 12.574 4.601 ( 3.397 -4.864 0.000) 5.933 4.601 ( 3.397 4.864 0.000) 5.933 4.837 ( 2.010 -9.776 0.000) 9.981 4.837 ( 2.010 9.776 0.000) 9.981 5.297 ( 0.552 -6.781 0.000) 6.803 5.297 ( 0.552 6.781 0.000) 6.803 5.641 ( 2.901 -11.226 0.000) 11.595 5.641 ( 2.901 11.226 0.000) 11.595 5.844 ( 8.907 -5.073 0.000) 10.250 5.844 ( 8.907 5.073 0.000) 10.250 6.046 ( -1.676 -7.195 0.000) 7.387 6.046 ( -1.676 7.195 0.000) 7.387 6.236 ( 3.290 -4.781 0.000) 5.803 6.236 ( 3.290 4.781 0.000) 5.803 6.745 ( 2.147 -40.798 0.000) 40.855 6.745 ( 2.147 40.798 0.000) 40.855 6.879 ( -3.130 -11.154 0.000) 11.585 6.879 ( -3.130 11.154 0.000) 11.585 8.147 ( -4.548 -39.362 0.000) 39.624 8.147 ( -4.548 39.362 0.000) 39.624 8.844 ( -7.878 -9.208 0.000) 12.118 8.844 ( -7.878 9.208 0.000) 12.118 9.018 ( -16.073 -13.674 0.000) 21.102 9.018 ( -16.073 13.674 0.000) 21.102 10.275 ( 9.469 -0.813 0.000) 9.504 10.275 ( 9.469 0.813 0.000) 9.504 10.796 ( 1.442 -10.720 0.000) 10.817 10.796 ( 1.442 10.720 0.000) 10.817 11.018 ( -2.549 -1.499 0.000) 2.957 11.018 ( -2.549 1.499 0.000) 2.957 11.111 ( -1.788 -0.431 0.000) 1.839 11.111 ( -1.788 0.431 0.000) 1.839 13.126 ( 4.768 -5.408 0.000) 7.209 13.126 ( 4.768 5.408 0.000) 7.209 13.660 ( 1.049 -20.303 0.000) 20.330 13.660 ( 1.049 20.303 0.000) 20.330 ======================= Grid point 31 (18/100) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 4.623 -12.825 0.000) 13.633 1.626 ( 4.623 12.825 0.000) 13.633 1.834 ( 2.983 -8.170 0.000) 8.697 1.834 ( 2.983 8.170 0.000) 8.697 1.994 ( 1.590 -10.314 0.000) 10.435 1.994 ( 1.590 10.314 0.000) 10.435 2.358 ( -6.316 -8.229 0.000) 10.374 2.358 ( -6.316 8.229 0.000) 10.374 2.674 ( -4.156 -2.202 0.000) 4.703 2.674 ( -4.156 2.202 0.000) 4.703 2.827 ( -4.985 -7.486 0.000) 8.995 2.827 ( -4.985 7.486 0.000) 8.995 3.160 ( 3.028 -10.002 0.000) 10.450 3.160 ( 3.028 10.002 0.000) 10.450 3.169 ( 16.467 -1.805 0.000) 16.565 3.169 ( 16.467 1.805 0.000) 16.565 3.625 ( -2.851 -13.445 0.000) 13.744 3.625 ( -2.851 13.445 0.000) 13.744 3.921 ( 2.223 -8.775 0.000) 9.052 3.921 ( 2.223 8.775 0.000) 9.052 3.958 ( 4.925 -18.290 0.000) 18.941 3.958 ( 4.925 18.290 0.000) 18.941 4.660 ( 1.266 -6.005 0.000) 6.137 4.660 ( 1.266 6.005 0.000) 6.137 4.727 ( 12.837 -3.557 0.000) 13.320 4.727 ( 12.837 3.557 0.000) 13.320 4.919 ( 6.552 -16.286 0.000) 17.555 4.919 ( 6.552 16.286 0.000) 17.555 5.320 ( 1.505 -6.121 0.000) 6.303 5.320 ( 1.505 6.121 0.000) 6.303 5.682 ( 0.145 -13.677 0.000) 13.678 5.682 ( 0.145 13.677 0.000) 13.678 5.932 ( -0.862 -11.148 0.000) 11.181 5.932 ( -0.862 11.148 0.000) 11.181 6.015 ( -2.540 -11.988 0.000) 12.254 6.015 ( -2.540 11.988 0.000) 12.254 6.422 ( 14.914 -4.481 0.000) 15.572 6.422 ( 14.914 4.481 0.000) 15.572 6.683 ( -3.383 -11.215 0.000) 11.714 6.683 ( -3.383 11.215 0.000) 11.714 6.944 ( 6.849 -37.002 0.000) 37.630 6.944 ( 6.849 37.002 0.000) 37.630 7.996 ( -11.104 -30.031 0.000) 32.018 7.996 ( -11.104 30.031 0.000) 32.018 8.630 ( -12.637 -9.605 0.000) 15.873 8.630 ( -12.637 9.605 0.000) 15.873 8.641 ( -19.288 -18.602 0.000) 26.796 8.641 ( -19.288 18.602 0.000) 26.796 10.484 ( 10.514 -0.927 0.000) 10.555 10.484 ( 10.514 0.927 0.000) 10.555 10.830 ( 1.745 -9.820 0.000) 9.974 10.830 ( 1.745 9.820 0.000) 9.974 10.963 ( -2.605 -3.362 0.000) 4.253 10.963 ( -2.605 3.362 0.000) 4.253 11.058 ( -3.479 -0.432 0.000) 3.505 11.058 ( -3.479 0.432 0.000) 3.505 13.254 ( 7.567 -3.616 0.000) 8.386 13.254 ( 7.567 3.616 0.000) 8.386 13.672 ( -0.233 -15.771 0.000) 15.773 13.672 ( -0.233 15.771 0.000) 15.773 ======================= Grid point 33 (19/100) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 1.673 -10.677 0.000) 10.807 1.683 ( 1.673 10.677 0.000) 10.807 1.861 ( -5.327 -4.734 0.000) 7.126 1.861 ( -5.327 4.734 0.000) 7.126 1.957 ( 2.616 -6.693 0.000) 7.186 1.957 ( 2.616 6.693 0.000) 7.186 2.202 ( -7.835 -2.906 0.000) 8.356 2.202 ( -7.835 2.906 0.000) 8.356 2.658 ( 1.307 -6.269 0.000) 6.404 2.658 ( 1.307 6.269 0.000) 6.404 2.749 ( -2.918 -7.915 0.000) 8.435 2.749 ( -2.918 7.915 0.000) 8.435 3.264 ( 5.831 -11.304 0.000) 12.720 3.264 ( 5.831 11.304 0.000) 12.720 3.397 ( 2.452 -2.422 0.000) 3.446 3.397 ( 2.452 2.422 0.000) 3.446 3.665 ( 8.012 -7.419 0.000) 10.919 3.665 ( 8.012 7.419 0.000) 10.919 3.915 ( -2.558 -6.114 0.000) 6.628 3.915 ( -2.558 6.114 0.000) 6.628 4.167 ( 14.983 -22.240 0.000) 26.816 4.167 ( 14.983 22.240 0.000) 26.816 4.630 ( -4.444 -6.386 0.000) 7.780 4.630 ( -4.444 6.386 0.000) 7.780 4.978 ( 12.189 -3.420 0.000) 12.660 4.978 ( 12.189 3.420 0.000) 12.660 5.079 ( 8.045 -13.165 0.000) 15.429 5.079 ( 8.045 13.165 0.000) 15.429 5.349 ( 1.351 -7.953 0.000) 8.067 5.349 ( 1.351 7.953 0.000) 8.067 5.628 ( -6.301 -10.592 0.000) 12.325 5.628 ( -6.301 10.592 0.000) 12.325 5.866 ( -4.488 -10.298 0.000) 11.233 5.866 ( -4.488 10.298 0.000) 11.233 5.879 ( -9.148 -5.326 0.000) 10.586 5.879 ( -9.148 5.326 0.000) 10.586 6.754 ( 16.231 -8.460 0.000) 18.304 6.754 ( 16.231 8.460 0.000) 18.304 6.788 ( 14.198 -9.588 0.000) 17.133 6.788 ( 14.198 9.588 0.000) 17.133 7.061 ( 3.428 -35.425 0.000) 35.591 7.061 ( 3.428 35.425 0.000) 35.591 7.670 ( -21.228 -14.063 0.000) 25.464 7.670 ( -21.228 14.063 0.000) 25.464 8.327 ( -10.559 -22.893 0.000) 25.211 8.327 ( -10.559 22.893 0.000) 25.211 8.376 ( -11.358 -5.899 0.000) 12.799 8.376 ( -11.358 5.899 0.000) 12.799 10.682 ( 9.022 -0.832 0.000) 9.061 10.682 ( 9.022 0.832 0.000) 9.061 10.862 ( 1.338 -8.734 0.000) 8.836 10.862 ( 1.338 8.734 0.000) 8.836 10.920 ( -1.717 -5.565 0.000) 5.823 10.920 ( -1.717 5.565 0.000) 5.823 10.971 ( -5.153 -0.478 0.000) 5.175 10.971 ( -5.153 0.478 0.000) 5.175 13.412 ( 7.732 -0.526 0.000) 7.750 13.412 ( 7.732 0.526 0.000) 7.750 13.641 ( -2.962 -9.862 0.000) 10.297 13.641 ( -2.962 9.862 0.000) 10.297 ======================= Grid point 35 (20/100) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -4.524 -7.484 0.000) 8.745 1.735 ( 4.524 -7.484 0.000) 8.745 1.735 ( -4.524 7.484 0.000) 8.745 1.735 ( 4.524 7.484 0.000) 8.745 2.063 ( -6.192 -3.419 0.000) 7.073 2.063 ( 6.192 -3.419 0.000) 7.073 2.063 ( -6.192 3.419 0.000) 7.073 2.063 ( 6.192 3.419 0.000) 7.073 2.697 ( -2.351 -8.159 0.000) 8.491 2.697 ( 2.351 -8.159 0.000) 8.491 2.697 ( -2.351 8.159 0.000) 8.491 2.697 ( 2.351 8.159 0.000) 8.491 3.364 ( -3.786 -10.447 0.000) 11.112 3.364 ( 3.786 -10.447 0.000) 11.112 3.364 ( -3.786 10.447 0.000) 11.112 3.364 ( 3.786 10.447 0.000) 11.112 3.824 ( -6.426 -4.688 0.000) 7.954 3.824 ( 6.426 -4.688 0.000) 7.954 3.824 ( -6.426 4.688 0.000) 7.954 3.824 ( 6.426 4.688 0.000) 7.954 4.465 ( -12.255 -13.146 0.000) 17.972 4.465 ( 12.255 -13.146 0.000) 17.972 4.465 ( -12.255 13.146 0.000) 17.972 4.465 ( 12.255 13.146 0.000) 17.972 5.165 ( -2.445 -4.362 0.000) 5.000 5.165 ( 2.445 -4.362 0.000) 5.000 5.165 ( -2.445 4.362 0.000) 5.000 5.165 ( 2.445 4.362 0.000) 5.000 5.424 ( -9.261 -8.125 0.000) 12.320 5.424 ( 9.261 -8.125 0.000) 12.320 5.424 ( -9.261 8.125 0.000) 12.320 5.424 ( 9.261 8.125 0.000) 12.320 5.797 ( -1.071 -6.011 0.000) 6.106 5.797 ( 1.071 -6.011 0.000) 6.106 5.797 ( -1.071 6.011 0.000) 6.106 5.797 ( 1.071 6.011 0.000) 6.106 7.006 ( -6.631 -25.806 0.000) 26.645 7.006 ( 6.631 -25.806 0.000) 26.645 7.006 ( -6.631 25.806 0.000) 26.645 7.006 ( 6.631 25.806 0.000) 26.645 7.205 ( -22.278 -5.756 0.000) 23.010 7.205 ( -22.278 5.756 0.000) 23.010 7.205 ( 22.278 -5.756 0.000) 23.010 7.205 ( 22.278 5.756 0.000) 23.010 8.234 ( -1.530 -10.913 0.000) 11.020 8.234 ( 1.530 -10.913 0.000) 11.020 8.234 ( -1.530 10.913 0.000) 11.020 8.234 ( 1.530 10.913 0.000) 11.020 10.842 ( -6.606 -1.314 0.000) 6.735 10.842 ( -6.606 1.314 0.000) 6.735 10.842 ( 6.606 -1.314 0.000) 6.735 10.842 ( 6.606 1.314 0.000) 6.735 10.893 ( -0.762 -6.766 0.000) 6.809 10.893 ( 0.762 -6.766 0.000) 6.809 10.893 ( -0.762 6.766 0.000) 6.809 10.893 ( 0.762 6.766 0.000) 6.809 13.552 ( -5.837 -4.177 0.000) 7.178 13.552 ( 5.837 -4.177 0.000) 7.178 13.552 ( -5.837 4.177 0.000) 7.178 13.552 ( 5.837 4.177 0.000) 7.178 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 0.000 0.000 26.260) 26.260 0.675 ( 0.000 0.000 31.386) 31.386 1.072 ( 0.000 0.000 49.323) 49.323 1.847 ( 0.000 0.000 8.980) 8.980 2.030 ( 0.000 0.000 13.165) 13.165 2.107 ( 0.000 0.000 4.371) 4.371 2.349 ( 0.000 0.000 -4.447) 4.447 2.572 ( 0.000 0.000 -4.560) 4.560 2.661 ( 0.000 0.000 -6.140) 6.140 2.778 ( 0.000 0.000 -2.738) 2.738 2.849 ( 0.000 0.000 1.515) 1.515 2.880 ( 0.000 0.000 -8.683) 8.683 2.896 ( 0.000 0.000 -2.098) 2.098 2.952 ( 0.000 0.000 -5.891) 5.891 3.116 ( 0.000 0.000 -8.688) 8.688 3.515 ( 0.000 0.000 -11.263) 11.263 3.590 ( 0.000 0.000 6.709) 6.709 3.612 ( 0.000 0.000 -7.033) 7.033 3.752 ( 0.000 0.000 -4.439) 4.439 3.836 ( 0.000 0.000 0.889) 0.889 3.908 ( 0.000 0.000 -13.149) 13.149 3.928 ( 0.000 0.000 1.736) 1.736 4.012 ( 0.000 0.000 -8.101) 8.101 4.211 ( 0.000 0.000 18.193) 18.193 4.422 ( 0.000 0.000 6.676) 6.676 4.596 ( 0.000 0.000 -4.962) 4.962 4.770 ( 0.000 0.000 -1.228) 1.228 4.777 ( 0.000 0.000 14.226) 14.226 5.253 ( 0.000 0.000 15.127) 15.127 5.343 ( 0.000 0.000 1.836) 1.836 5.347 ( 0.000 0.000 0.479) 0.479 5.555 ( 0.000 0.000 5.225) 5.225 5.674 ( 0.000 0.000 7.098) 7.098 5.690 ( 0.000 0.000 2.260) 2.260 5.700 ( 0.000 0.000 -3.400) 3.400 5.740 ( 0.000 0.000 10.489) 10.489 5.958 ( 0.000 0.000 5.291) 5.291 6.368 ( 0.000 0.000 -2.660) 2.660 6.492 ( 0.000 0.000 -2.999) 2.999 6.659 ( 0.000 0.000 2.172) 2.172 7.141 ( 0.000 0.000 -11.952) 11.952 7.384 ( 0.000 0.000 9.934) 9.934 8.394 ( 0.000 0.000 -18.315) 18.315 8.514 ( 0.000 0.000 -11.619) 11.619 8.831 ( 0.000 0.000 -3.260) 3.260 9.160 ( 0.000 0.000 -10.586) 10.586 9.283 ( 0.000 0.000 -2.851) 2.851 10.244 ( 0.000 0.000 8.417) 8.417 10.258 ( 0.000 0.000 3.612) 3.612 10.293 ( 0.000 0.000 9.358) 9.358 10.547 ( 0.000 0.000 -8.872) 8.872 10.977 ( 0.000 0.000 -1.236) 1.236 10.999 ( 0.000 0.000 -9.147) 9.147 11.051 ( 0.000 0.000 -1.524) 1.524 11.197 ( 0.000 0.000 0.204) 0.204 11.270 ( 0.000 0.000 -0.357) 0.357 12.448 ( 0.000 0.000 14.039) 14.039 12.829 ( 0.000 0.000 6.345) 6.345 13.239 ( 0.000 0.000 2.388) 2.388 14.134 ( 0.000 0.000 -4.295) 4.295 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 16.926 0.000 17.073) 24.041 0.776 ( 19.447 0.000 16.656) 25.605 1.554 ( 32.234 0.000 29.674) 43.813 1.911 ( 7.615 0.000 10.694) 13.129 2.062 ( 4.679 0.000 8.447) 9.657 2.246 ( 7.048 0.000 -1.703) 7.251 2.361 ( -13.136 0.000 -1.301) 13.201 2.431 ( 10.545 0.000 4.494) 11.463 2.580 ( -8.267 0.000 -7.659) 11.270 2.722 ( 2.030 0.000 -5.428) 5.796 2.744 ( -9.769 0.000 -5.390) 11.157 2.840 ( -3.348 0.000 -10.361) 10.889 2.894 ( -13.927 0.000 -3.838) 14.446 3.072 ( 4.260 0.000 4.144) 5.943 3.130 ( 13.855 0.000 3.390) 14.264 3.201 ( -10.271 0.000 -1.322) 10.355 3.653 ( -4.811 0.000 -5.854) 7.577 3.724 ( 9.828 0.000 -4.140) 10.665 3.733 ( -7.763 0.000 -5.331) 9.417 3.804 ( -4.738 0.000 0.290) 4.747 3.831 ( -0.260 0.000 -6.170) 6.175 3.995 ( -0.959 0.000 -9.420) 9.468 4.179 ( 0.887 0.000 9.350) 9.392 4.299 ( 9.331 0.000 -5.365) 10.764 4.406 ( 5.919 0.000 -0.811) 5.974 4.720 ( 8.565 0.000 -2.128) 8.825 4.759 ( 0.404 0.000 7.849) 7.860 4.863 ( 7.019 0.000 2.430) 7.428 5.252 ( 0.523 0.000 7.556) 7.574 5.348 ( 1.118 0.000 -1.843) 2.156 5.453 ( 5.531 0.000 12.594) 13.755 5.513 ( -4.209 0.000 3.143) 5.253 5.583 ( -0.611 0.000 0.124) 0.624 5.692 ( 0.043 0.000 4.706) 4.707 5.721 ( 0.949 0.000 -3.222) 3.359 5.871 ( 12.768 0.000 16.480) 20.847 6.095 ( 7.965 0.000 0.479) 7.979 6.346 ( -0.587 0.000 -6.166) 6.194 6.478 ( -0.428 0.000 0.282) 0.512 6.685 ( 0.364 0.000 3.485) 3.504 6.981 ( -10.487 0.000 -6.445) 12.309 7.512 ( 10.249 0.000 12.040) 15.812 7.931 ( -29.269 0.000 -29.040) 41.231 8.505 ( -24.489 0.000 -19.525) 31.320 8.728 ( 4.688 0.000 5.225) 7.020 8.971 ( -3.891 0.000 2.136) 4.438 9.548 ( 9.437 0.000 11.030) 14.516 10.203 ( 0.632 0.000 0.604) 0.874 10.325 ( 2.532 0.000 4.786) 5.415 10.378 ( 7.206 0.000 6.996) 10.043 10.487 ( -4.827 0.000 -7.843) 9.209 10.844 ( -7.969 0.000 -5.965) 9.954 11.061 ( 1.527 0.000 -2.345) 2.798 11.120 ( 2.229 0.000 -1.304) 2.583 11.199 ( 0.190 0.000 0.197) 0.274 11.262 ( -0.759 0.000 0.360) 0.840 12.555 ( 9.720 0.000 10.206) 14.094 12.858 ( 3.106 0.000 2.494) 3.983 13.249 ( 0.858 0.000 0.812) 1.182 14.066 ( -5.786 0.000 -6.535) 8.728 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 22.738 0.000 -0.683) 22.748 1.217 ( 23.019 0.000 7.070) 24.080 1.932 ( 5.221 0.000 2.458) 5.770 2.102 ( 1.180 0.000 2.376) 2.653 2.148 ( 1.568 0.000 2.946) 3.337 2.301 ( -1.270 0.000 3.742) 3.952 2.331 ( 11.778 0.000 17.469) 21.069 2.459 ( -4.144 0.000 -12.846) 13.498 2.498 ( -8.958 0.000 -8.049) 12.043 2.682 ( -4.629 0.000 1.938) 5.019 2.701 ( -6.582 0.000 -8.519) 10.766 2.778 ( 5.498 0.000 -2.373) 5.988 2.797 ( 18.226 0.000 4.987) 18.896 3.084 ( 0.086 0.000 1.353) 1.356 3.112 ( -1.542 0.000 8.653) 8.790 3.385 ( 8.712 0.000 3.203) 9.282 3.422 ( -14.269 0.000 11.597) 18.387 3.648 ( -7.823 0.000 -0.777) 7.862 3.653 ( 0.767 0.000 -11.152) 11.178 3.801 ( -1.570 0.000 -6.208) 6.403 3.969 ( 13.848 0.000 -10.353) 17.291 3.994 ( -0.099 0.000 -8.884) 8.884 4.272 ( 6.913 0.000 -0.150) 6.915 4.331 ( 0.395 0.000 2.102) 2.139 4.587 ( 7.051 0.000 -12.512) 14.363 4.806 ( 4.688 0.000 3.869) 6.079 4.857 ( 4.654 0.000 -7.184) 8.560 4.989 ( 3.485 0.000 5.096) 6.174 5.281 ( 2.571 0.000 7.252) 7.694 5.393 ( 0.782 0.000 -10.416) 10.446 5.422 ( -1.715 0.000 7.944) 8.127 5.472 ( -0.076 0.000 7.320) 7.320 5.634 ( 2.624 0.000 -0.721) 2.722 5.719 ( -1.178 0.000 -3.523) 3.715 5.786 ( 6.342 0.000 -4.377) 7.706 6.095 ( 4.129 0.000 4.434) 6.058 6.198 ( 2.594 0.000 8.469) 8.857 6.337 ( -3.903 0.000 -7.639) 8.579 6.606 ( 17.473 0.000 22.272) 28.308 6.615 ( -4.937 0.000 -4.452) 6.648 6.834 ( -2.470 0.000 1.394) 2.836 7.309 ( -31.393 0.000 -36.608) 48.225 7.799 ( 16.717 0.000 22.820) 28.288 7.989 ( -23.819 0.000 -37.183) 44.158 8.646 ( -12.211 0.000 23.647) 26.614 9.017 ( 7.064 0.000 6.172) 9.381 9.571 ( -6.695 0.000 27.581) 28.382 10.217 ( -12.662 0.000 -5.522) 13.813 10.268 ( 4.968 0.000 -4.250) 6.538 10.534 ( 8.138 0.000 5.735) 9.955 10.540 ( 8.978 0.000 -0.264) 8.982 10.689 ( -7.007 0.000 -5.254) 8.758 11.055 ( -2.016 0.000 0.818) 2.175 11.109 ( -2.676 0.000 2.275) 3.513 11.204 ( 0.312 0.000 0.200) 0.371 11.244 ( -0.894 0.000 0.798) 1.198 12.792 ( 12.673 0.000 3.244) 13.082 12.965 ( 7.719 0.000 -5.756) 9.629 13.266 ( 0.599 0.000 -2.617) 2.685 13.913 ( -9.391 0.000 -10.086) 13.781 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 15.855 0.000 -3.768) 16.296 1.668 ( 21.177 0.000 0.039) 21.177 1.986 ( 4.610 0.000 -7.677) 8.955 2.102 ( -6.088 0.000 -6.843) 9.160 2.117 ( -2.312 0.000 3.266) 4.001 2.227 ( -5.068 0.000 3.159) 5.972 2.318 ( -9.440 0.000 -6.489) 11.455 2.376 ( -4.681 0.000 1.249) 4.844 2.399 ( 0.745 0.000 0.005) 0.745 2.601 ( 1.604 0.000 1.341) 2.091 2.706 ( 4.946 0.000 6.989) 8.562 2.779 ( -7.495 0.000 5.415) 9.247 2.994 ( -8.074 0.000 12.849) 15.175 3.080 ( -14.398 0.000 14.354) 20.331 3.157 ( 14.968 0.000 1.360) 15.030 3.441 ( 22.218 0.000 0.657) 22.227 3.524 ( -5.134 0.000 -2.293) 5.622 3.535 ( 6.040 0.000 -3.628) 7.046 3.705 ( 2.170 0.000 -12.675) 12.859 3.839 ( 7.596 0.000 -2.009) 7.857 3.966 ( -2.495 0.000 -5.623) 6.151 4.251 ( 12.585 0.000 -7.349) 14.574 4.305 ( -4.190 0.000 1.830) 4.572 4.415 ( 5.912 0.000 -5.184) 7.863 4.718 ( 6.761 0.000 -9.185) 11.405 4.935 ( 4.954 0.000 -14.445) 15.271 4.941 ( 5.033 0.000 5.485) 7.444 4.996 ( 2.003 0.000 -2.166) 2.950 5.301 ( -6.591 0.000 -5.411) 8.527 5.357 ( 4.557 0.000 8.004) 9.211 5.472 ( -0.652 0.000 6.088) 6.123 5.507 ( 5.478 0.000 -2.248) 5.922 5.650 ( -6.971 0.000 -3.111) 7.633 5.681 ( -2.468 0.000 -3.366) 4.174 5.810 ( -1.247 0.000 -13.383) 13.441 6.052 ( -12.793 0.000 -1.682) 12.903 6.097 ( 0.621 0.000 -9.129) 9.150 6.345 ( 8.192 0.000 7.449) 11.073 6.613 ( -0.041 0.000 4.856) 4.856 6.687 ( -26.674 0.000 -33.676) 42.960 6.860 ( 6.071 0.000 -10.708) 12.309 7.138 ( 29.113 0.000 33.548) 44.419 7.482 ( -22.287 0.000 -35.504) 41.920 8.267 ( 25.159 0.000 28.335) 37.892 8.279 ( -23.295 0.000 33.850) 41.091 9.153 ( -2.663 0.000 21.742) 21.904 9.377 ( -3.166 0.000 16.200) 16.506 9.916 ( -16.301 0.000 -4.808) 16.995 10.371 ( 4.880 0.000 -4.386) 6.561 10.559 ( -5.221 0.000 -3.975) 6.562 10.708 ( 8.212 0.000 3.880) 9.082 10.732 ( 9.261 0.000 1.455) 9.375 10.985 ( -4.876 0.000 2.614) 5.533 11.027 ( -5.253 0.000 3.151) 6.126 11.211 ( 0.370 0.000 0.228) 0.434 11.229 ( -0.601 0.000 0.503) 0.784 13.028 ( 10.213 0.000 -2.357) 10.481 13.167 ( 11.970 0.000 -12.077) 17.004 13.260 ( -1.611 0.000 -5.274) 5.514 13.692 ( -12.347 0.000 -12.747) 17.747 ======================= Grid point 67 (25/100) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -12.805 0.000 -5.591) 13.972 1.874 ( 12.805 0.000 -5.591) 13.972 2.033 ( -13.312 0.000 -6.146) 14.663 2.033 ( 13.312 0.000 -6.146) 14.663 2.154 ( -3.274 0.000 4.835) 5.839 2.154 ( 3.274 0.000 4.835) 5.839 2.167 ( -11.459 0.000 -10.519) 15.555 2.167 ( 11.459 0.000 -10.519) 15.555 2.548 ( -9.844 0.000 6.837) 11.985 2.548 ( 9.844 0.000 6.837) 11.985 2.807 ( -11.720 0.000 11.903) 16.704 2.807 ( 11.720 0.000 11.903) 16.704 2.829 ( -7.239 0.000 11.824) 13.863 2.829 ( 7.239 0.000 11.824) 13.863 3.395 ( -8.630 0.000 -1.190) 8.712 3.395 ( 8.630 0.000 -1.190) 8.712 3.605 ( -2.568 0.000 -9.036) 9.393 3.605 ( 2.568 0.000 -9.036) 9.393 3.849 ( -7.515 0.000 -5.158) 9.115 3.849 ( 7.515 0.000 -5.158) 9.115 4.122 ( -14.114 0.000 1.967) 14.250 4.122 ( 14.114 0.000 1.967) 14.250 4.431 ( -4.766 0.000 -4.694) 6.689 4.431 ( 4.766 0.000 -4.694) 6.689 4.859 ( -6.748 0.000 -2.229) 7.106 4.859 ( 6.748 0.000 -2.229) 7.106 5.112 ( -11.386 0.000 -13.448) 17.621 5.112 ( 11.386 0.000 -13.448) 17.621 5.280 ( -20.022 0.000 -3.875) 20.394 5.280 ( 20.022 0.000 -3.875) 20.394 5.443 ( -3.550 0.000 8.799) 9.489 5.443 ( 3.550 0.000 8.799) 9.489 5.612 ( -4.568 0.000 -2.570) 5.242 5.612 ( 4.568 0.000 -2.570) 5.242 5.881 ( -6.016 0.000 -10.610) 12.197 5.881 ( 6.016 0.000 -10.610) 12.197 6.246 ( -15.323 0.000 -24.306) 28.733 6.246 ( 15.323 0.000 -24.306) 28.733 6.524 ( -7.913 0.000 11.002) 13.552 6.524 ( 7.913 0.000 11.002) 13.552 7.092 ( -16.052 0.000 -27.530) 31.868 7.092 ( 16.052 0.000 -27.530) 31.868 7.742 ( -29.295 0.000 37.414) 47.518 7.742 ( 29.295 0.000 37.414) 47.518 8.784 ( -24.952 0.000 35.504) 43.395 8.784 ( 24.952 0.000 35.504) 43.395 9.588 ( -15.659 0.000 -2.163) 15.808 9.588 ( 15.659 0.000 -2.163) 15.808 10.463 ( -4.467 0.000 -3.856) 5.901 10.463 ( 4.467 0.000 -3.856) 5.901 10.864 ( -7.033 0.000 3.319) 7.777 10.864 ( 7.033 0.000 3.319) 7.777 10.900 ( -7.377 0.000 2.677) 7.847 10.900 ( 7.377 0.000 2.677) 7.847 11.219 ( -0.435 0.000 0.299) 0.528 11.219 ( 0.435 0.000 0.299) 0.528 13.189 ( -5.676 0.000 -5.327) 7.784 13.189 ( 5.676 0.000 -5.327) 7.784 13.428 ( -13.537 0.000 -13.952) 19.440 13.428 ( 13.537 0.000 -13.952) 19.440 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 0.000 16.941 23.136) 28.675 0.871 ( 0.000 20.053 19.185) 27.752 1.491 ( 0.000 38.771 31.690) 50.075 1.800 ( 0.000 -2.455 7.184) 7.592 1.987 ( 0.000 -4.370 11.781) 12.565 2.219 ( 0.000 -0.101 -4.438) 4.440 2.239 ( 0.000 -9.603 -1.878) 9.785 2.594 ( 0.000 -4.097 -4.602) 6.161 2.612 ( 0.000 -9.496 3.472) 10.111 2.649 ( 0.000 3.128 -8.529) 9.084 2.813 ( 0.000 -1.349 0.981) 1.668 2.827 ( 0.000 -0.947 -11.701) 11.739 2.982 ( 0.000 5.152 -1.100) 5.269 3.129 ( 0.000 6.600 -16.147) 17.444 3.187 ( 0.000 10.819 3.862) 11.488 3.335 ( 0.000 -7.369 8.095) 10.947 3.566 ( 0.000 -3.996 -7.277) 8.302 3.717 ( 0.000 1.297 -19.381) 19.425 3.757 ( 0.000 0.401 -6.762) 6.774 3.830 ( 0.000 -6.491 5.593) 8.568 3.856 ( 0.000 -3.132 -12.267) 12.661 4.041 ( 0.000 1.725 -6.045) 6.286 4.144 ( 0.000 21.711 3.555) 22.001 4.260 ( 0.000 -9.467 -2.450) 9.779 4.413 ( 0.000 22.026 10.868) 24.561 4.625 ( 0.000 2.786 5.047) 5.765 4.741 ( 0.000 -3.008 15.255) 15.549 4.856 ( 0.000 7.208 0.735) 7.246 5.220 ( 0.000 -2.139 13.960) 14.123 5.250 ( 0.000 -8.540 5.693) 10.264 5.432 ( 0.000 7.066 0.880) 7.121 5.529 ( 0.000 -2.020 1.043) 2.274 5.619 ( 0.000 -1.932 2.058) 2.823 5.641 ( 0.000 1.232 4.279) 4.453 5.863 ( 0.000 8.256 11.518) 14.171 6.032 ( 0.000 17.563 -7.852) 19.239 6.053 ( 0.000 8.993 8.012) 12.044 6.316 ( 0.000 -5.049 -2.372) 5.578 6.473 ( 0.000 -0.364 -5.930) 5.942 6.677 ( 0.000 -1.412 6.215) 6.373 7.101 ( 0.000 -4.100 -11.613) 12.316 7.238 ( 0.000 -4.400 11.872) 12.661 8.441 ( 0.000 4.774 -18.263) 18.877 8.514 ( 0.000 -24.048 9.428) 25.831 8.677 ( 0.000 6.063 -13.086) 14.422 9.044 ( 0.000 -8.044 -15.767) 17.700 9.217 ( 0.000 -7.449 -2.679) 7.916 10.139 ( 0.000 -35.023 -7.930) 35.909 10.247 ( 0.000 0.291 8.465) 8.470 10.286 ( 0.000 -0.251 8.870) 8.874 10.376 ( 0.000 9.890 3.520) 10.498 10.991 ( 0.000 1.056 -2.358) 2.584 11.026 ( 0.000 0.649 -4.661) 4.706 11.061 ( 0.000 0.935 -2.945) 3.090 11.142 ( 0.000 -5.430 0.398) 5.445 11.191 ( 0.000 -4.566 1.581) 4.832 12.720 ( 0.000 23.787 9.443) 25.593 12.880 ( 0.000 4.987 5.985) 7.791 13.233 ( 0.000 -0.772 2.643) 2.754 14.131 ( 0.000 -3.511 -5.785) 6.767 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.12 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 13.692 16.076 14.089) 25.385 1.095 ( 13.955 21.022 11.333) 27.661 1.775 ( 20.009 22.238 17.305) 34.560 1.879 ( 9.722 -2.209 11.396) 15.142 2.026 ( 3.882 -4.166 8.875) 10.545 2.239 ( 1.465 -5.263 -0.460) 5.483 2.329 ( 4.138 -6.689 -3.507) 8.613 2.405 ( -5.834 1.828 3.451) 7.021 2.625 ( -1.056 1.855 -1.623) 2.682 2.665 ( -3.295 1.997 -11.176) 11.822 2.761 ( -4.624 -5.155 -7.478) 10.192 2.828 ( -3.572 -2.451 2.027) 4.783 2.909 ( 3.841 -1.083 1.565) 4.287 2.983 ( -9.075 8.537 -9.065) 15.408 3.195 ( -11.267 0.032 -2.464) 11.533 3.364 ( 10.203 11.829 4.137) 16.160 3.515 ( -5.445 -11.090 2.929) 12.697 3.584 ( -7.699 -8.395 -5.284) 12.557 3.731 ( 0.920 -2.431 -10.725) 11.035 3.798 ( 3.906 -2.253 -8.270) 9.419 4.021 ( 0.894 5.392 -6.651) 8.609 4.130 ( -3.604 16.683 -2.489) 17.248 4.218 ( 1.663 3.677 3.382) 5.266 4.306 ( 13.932 1.909 -4.669) 14.817 4.436 ( 3.949 9.645 2.806) 10.793 4.670 ( 5.164 -1.530 1.537) 5.601 4.732 ( 1.252 -2.387 9.049) 9.442 4.948 ( 5.538 6.649 3.471) 9.323 5.166 ( 0.631 -5.041 5.721) 7.651 5.380 ( 5.510 -1.988 10.384) 11.922 5.491 ( 3.715 5.766 3.215) 7.575 5.550 ( 1.793 -1.983 -0.443) 2.710 5.573 ( 0.999 1.766 1.017) 2.270 5.705 ( 1.116 2.221 3.159) 4.019 5.871 ( 1.993 6.251 7.020) 9.609 5.955 ( -1.864 14.142 -1.719) 14.368 6.181 ( 7.534 7.304 9.116) 13.900 6.320 ( 0.852 -2.010 -5.564) 5.977 6.478 ( 0.382 -0.695 -2.061) 2.209 6.686 ( 0.755 -0.170 8.023) 8.060 6.938 ( -10.735 -2.958 -8.618) 14.080 7.381 ( 8.585 -7.109 7.624) 13.504 8.064 ( -24.783 9.601 -25.702) 36.973 8.398 ( -15.457 -13.891 -8.232) 22.353 8.720 ( -10.916 -17.019 -5.908) 21.064 8.825 ( 4.159 5.544 2.824) 7.484 9.470 ( 9.087 -8.233 10.706) 16.278 10.059 ( -7.277 -32.326 -5.034) 33.515 10.257 ( 2.215 3.238 1.944) 4.378 10.351 ( 6.200 -1.556 3.776) 7.424 10.441 ( 5.362 6.943 5.485) 10.346 10.903 ( -6.234 2.865 -4.994) 8.486 11.054 ( 1.214 -1.163 -2.449) 2.970 11.115 ( 2.180 -0.459 -1.097) 2.484 11.143 ( 0.186 -5.548 0.392) 5.565 11.183 ( -0.732 -4.940 1.908) 5.346 12.793 ( 6.783 21.323 6.950) 23.431 12.909 ( 3.034 4.932 2.398) 6.268 13.245 ( 1.111 -0.541 0.973) 1.573 14.064 ( -5.921 -2.310 -6.698) 9.234 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.25 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 16.341 9.007 2.712) 18.855 1.415 ( 17.053 12.895 5.998) 22.205 1.960 ( 3.652 1.978 1.428) 4.392 2.064 ( 2.955 -3.221 1.913) 4.772 2.121 ( 0.432 -3.345 1.949) 3.896 2.239 ( 0.990 -5.996 3.182) 6.860 2.386 ( -1.066 -4.434 -3.307) 5.633 2.410 ( -1.507 0.577 -0.893) 1.844 2.508 ( -7.693 8.794 -4.864) 12.656 2.662 ( 1.272 -3.176 -0.215) 3.428 2.718 ( -2.310 0.071 4.239) 4.828 2.823 ( 13.871 2.710 1.428) 14.206 2.912 ( -3.876 10.241 -9.680) 14.615 3.032 ( 10.848 3.146 7.406) 13.506 3.066 ( 1.461 -5.360 1.214) 5.687 3.302 ( -12.286 -9.723 10.479) 18.849 3.449 ( -0.570 -6.840 -7.063) 9.848 3.565 ( 4.935 8.215 3.195) 10.102 3.735 ( -0.104 -3.932 -7.970) 8.887 3.899 ( 2.859 -5.439 -6.364) 8.846 3.930 ( -9.149 15.357 -0.936) 17.900 4.144 ( 9.905 10.319 -10.969) 18.025 4.303 ( 4.136 7.721 0.058) 8.759 4.471 ( 5.661 10.510 2.799) 12.262 4.580 ( 7.881 1.034 -11.520) 13.997 4.783 ( 4.733 -2.821 3.762) 6.672 4.818 ( 6.699 -1.364 -1.902) 7.096 5.021 ( 2.190 0.464 1.901) 2.937 5.248 ( 5.718 0.905 4.658) 7.431 5.456 ( 0.703 1.508 0.518) 1.743 5.487 ( 1.100 1.787 3.936) 4.460 5.579 ( -4.076 9.893 3.860) 11.375 5.619 ( 3.395 0.342 -2.718) 4.363 5.738 ( 3.961 0.198 -5.307) 6.626 5.863 ( -3.312 12.899 -2.594) 13.567 6.018 ( 4.853 -5.127 6.648) 9.697 6.268 ( -0.250 4.749 -0.234) 4.762 6.317 ( -4.721 -1.131 -3.646) 6.071 6.561 ( 5.649 -3.827 12.329) 14.091 6.676 ( 0.096 3.573 0.271) 3.584 6.818 ( 5.956 0.835 8.643) 10.530 7.308 ( -22.662 -0.480 -28.280) 36.243 7.834 ( 7.758 3.901 13.916) 16.403 7.947 ( -21.920 -4.334 -35.874) 42.264 8.637 ( -6.177 -12.772 17.231) 22.320 8.826 ( 1.225 -6.546 11.087) 12.933 9.492 ( -6.587 -8.224 27.098) 29.074 9.861 ( -12.171 -30.830 -3.662) 33.348 10.344 ( 5.708 5.756 -4.289) 9.171 10.523 ( 10.047 -1.031 0.313) 10.105 10.568 ( 7.089 3.810 5.816) 9.929 10.770 ( -6.534 4.721 -5.383) 9.693 11.051 ( -1.667 -0.802 0.251) 1.867 11.105 ( -2.722 -0.555 2.253) 3.576 11.151 ( 0.383 -5.122 0.213) 5.140 11.172 ( -0.262 -5.826 1.044) 5.925 12.963 ( 9.209 15.790 1.659) 18.354 13.012 ( 7.366 4.548 -5.300) 10.151 13.272 ( 1.273 0.338 -2.677) 2.983 13.911 ( -9.164 -1.152 -9.377) 13.162 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.38 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 12.427 -0.276 -1.143) 12.483 1.709 ( 11.439 1.175 2.218) 11.711 1.987 ( -3.838 -3.782 -0.554) 5.416 2.087 ( 2.090 0.247 -2.394) 3.187 2.147 ( 4.562 -0.038 -2.306) 5.111 2.197 ( -10.738 -4.001 -9.919) 15.156 2.279 ( -5.592 -5.139 4.639) 8.899 2.356 ( 6.306 -0.701 4.206) 7.612 2.395 ( -4.601 6.227 -1.573) 7.900 2.611 ( -8.567 -7.934 2.749) 11.996 2.704 ( -1.062 4.719 1.480) 5.058 2.789 ( -1.466 3.561 -0.651) 3.906 3.018 ( -6.574 0.700 9.866) 11.876 3.129 ( -2.736 -0.398 6.779) 7.321 3.167 ( 14.365 2.665 0.929) 14.640 3.421 ( 10.006 0.529 -4.761) 11.094 3.542 ( 9.151 2.843 -0.596) 9.601 3.625 ( 7.603 5.544 -1.777) 9.576 3.689 ( -5.371 4.294 -1.019) 6.952 3.860 ( 5.660 0.743 -3.884) 6.904 3.903 ( -1.970 -3.170 -4.700) 6.001 4.322 ( -1.926 4.489 2.079) 5.308 4.430 ( 13.950 12.312 -10.596) 21.412 4.564 ( 3.852 9.298 -4.549) 11.045 4.746 ( 8.628 4.651 -6.094) 11.542 4.867 ( 4.143 -1.816 -2.647) 5.242 4.979 ( 9.302 0.057 -2.966) 9.763 5.048 ( 0.980 3.135 -2.074) 3.885 5.339 ( -0.371 2.446 -5.498) 6.029 5.368 ( -5.377 0.147 3.793) 6.582 5.501 ( -2.013 6.507 2.609) 7.293 5.548 ( 0.634 0.768 5.724) 5.810 5.680 ( -1.703 5.227 -7.191) 9.052 5.752 ( -0.517 -4.006 -10.853) 11.580 5.789 ( -2.916 10.983 -4.384) 12.180 5.961 ( -11.157 -5.544 -1.011) 12.499 6.180 ( -0.418 3.548 -8.309) 9.044 6.312 ( 6.301 -1.019 6.131) 8.850 6.578 ( -2.316 -3.524 11.017) 11.797 6.741 ( -12.011 1.235 -26.052) 28.714 6.807 ( -3.660 0.820 -21.685) 22.007 7.226 ( 25.053 6.813 29.293) 39.143 7.452 ( -20.082 -2.753 -32.215) 38.061 8.243 ( 23.658 -2.315 26.677) 35.731 8.328 ( -21.589 3.081 33.276) 39.785 8.969 ( 8.793 -19.998 7.708) 23.165 9.245 ( -15.460 -8.946 30.768) 35.576 9.587 ( -14.566 -29.714 -3.765) 33.306 10.455 ( 5.036 6.901 -4.835) 9.816 10.644 ( -4.936 6.020 -4.165) 8.829 10.718 ( 8.498 0.077 2.241) 8.789 10.730 ( 8.281 0.900 2.992) 8.851 10.987 ( -4.611 -0.022 2.242) 5.127 11.023 ( -5.260 -0.472 3.103) 6.125 11.158 ( 0.324 -5.167 0.170) 5.180 11.168 ( -0.190 -5.584 0.446) 5.605 13.135 ( 7.379 10.087 -3.169) 12.894 13.202 ( 11.229 3.408 -11.293) 16.287 13.285 ( -0.269 2.263 -5.580) 6.028 13.699 ( -11.727 0.200 -11.962) 16.752 ======================= Grid point 76 (30/100) ======================= q-point: (-0.50 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -10.241 -6.565 -1.763) 12.291 1.784 ( 10.241 -6.565 -1.763) 12.291 1.953 ( -11.332 -3.441 -6.282) 13.406 1.953 ( 11.332 -3.441 -6.282) 13.406 2.173 ( -5.043 0.231 5.138) 7.203 2.173 ( 5.043 0.231 5.138) 7.203 2.313 ( -6.394 1.683 -0.919) 6.675 2.313 ( 6.394 1.683 -0.919) 6.675 2.454 ( -5.412 0.228 -2.418) 5.932 2.454 ( 5.412 0.228 -2.418) 5.932 2.724 ( -5.474 -2.250 6.364) 8.691 2.724 ( 5.474 -2.250 6.364) 8.691 3.025 ( -5.923 6.927 8.435) 12.419 3.025 ( 5.923 6.927 8.435) 12.419 3.401 ( -7.891 3.264 -1.891) 8.746 3.401 ( 7.891 3.264 -1.891) 8.746 3.599 ( -3.576 1.517 -5.073) 6.389 3.599 ( 3.576 1.517 -5.073) 6.389 3.833 ( -5.261 -0.856 -5.308) 7.523 3.833 ( 5.261 -0.856 -5.308) 7.523 4.141 ( -15.632 3.075 2.971) 16.206 4.141 ( 15.632 3.075 2.971) 16.206 4.604 ( -2.030 10.458 -5.190) 11.850 4.604 ( 2.030 10.458 -5.190) 11.850 4.908 ( -5.427 6.954 -2.217) 9.095 4.908 ( 5.427 6.954 -2.217) 9.095 5.098 ( -11.471 -1.320 -10.850) 15.845 5.098 ( 11.471 -1.320 -10.850) 15.845 5.283 ( -16.219 -0.422 -3.783) 16.660 5.283 ( 16.219 -0.422 -3.783) 16.660 5.450 ( -4.113 2.105 5.775) 7.395 5.450 ( 4.113 2.105 5.775) 7.395 5.703 ( -4.713 8.228 -3.161) 9.995 5.703 ( 4.713 8.228 -3.161) 9.995 5.815 ( -4.356 -4.322 -8.776) 10.708 5.815 ( 4.356 -4.322 -8.776) 10.708 6.331 ( -14.019 5.754 -21.338) 26.172 6.331 ( 14.019 5.754 -21.338) 26.172 6.479 ( -6.307 -2.162 10.104) 12.105 6.479 ( 6.307 -2.162 10.104) 12.105 7.046 ( -16.375 -3.848 -28.002) 32.666 7.046 ( 16.375 -3.848 -28.002) 32.666 7.814 ( -28.025 6.055 36.494) 46.410 7.814 ( 28.025 6.055 36.494) 46.410 8.744 ( -24.155 -4.047 34.752) 42.515 8.744 ( 24.155 -4.047 34.752) 42.515 9.294 ( -13.876 -27.115 -1.281) 30.486 9.294 ( 13.876 -27.115 -1.281) 30.486 10.549 ( -4.486 6.795 -4.318) 9.216 10.549 ( 4.486 6.795 -4.318) 9.216 10.870 ( -6.774 0.476 3.105) 7.467 10.870 ( 6.774 0.476 3.105) 7.467 10.895 ( -7.363 -0.374 2.752) 7.869 10.895 ( 7.363 -0.374 2.752) 7.869 11.164 ( -0.232 -5.299 0.217) 5.308 11.164 ( 0.232 -5.299 0.217) 5.308 13.247 ( -3.622 5.462 -5.809) 8.758 13.247 ( 3.622 5.462 -5.809) 8.758 13.449 ( -12.756 1.840 -13.166) 18.423 13.449 ( 12.756 1.840 -13.166) 18.423 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 0.000 20.761 12.891) 24.437 1.251 ( 0.000 19.694 14.152) 24.252 1.746 ( 0.000 -1.768 7.362) 7.571 1.869 ( 0.000 -8.297 13.325) 15.697 2.019 ( 0.000 -11.948 -2.189) 12.146 2.036 ( 0.000 -10.968 -0.083) 10.968 2.246 ( 0.000 23.944 6.657) 24.852 2.434 ( 0.000 -6.877 -2.724) 7.397 2.561 ( 0.000 5.494 4.780) 7.283 2.728 ( 0.000 3.811 -0.979) 3.935 2.810 ( 0.000 0.614 -1.530) 1.649 2.837 ( 0.000 1.292 -7.356) 7.469 3.034 ( 0.000 0.045 4.229) 4.229 3.226 ( 0.000 3.407 -11.187) 11.694 3.293 ( 0.000 3.346 2.747) 4.330 3.410 ( 0.000 5.404 -0.543) 5.432 3.495 ( 0.000 2.556 -6.217) 6.722 3.638 ( 0.000 -7.027 -17.391) 18.757 3.643 ( 0.000 -9.452 2.990) 9.914 3.821 ( 0.000 2.227 -6.568) 6.935 3.835 ( 0.000 -0.928 -16.034) 16.061 3.943 ( 0.000 -9.550 -4.269) 10.461 4.213 ( 0.000 2.249 -2.164) 3.121 4.355 ( 0.000 0.672 4.430) 4.480 4.673 ( 0.000 2.845 13.734) 14.025 4.706 ( 0.000 5.188 9.415) 10.750 4.955 ( 0.000 0.684 4.892) 4.940 5.000 ( 0.000 4.872 10.594) 11.660 5.201 ( 0.000 24.314 1.899) 24.388 5.214 ( 0.000 3.153 8.133) 8.723 5.472 ( 0.000 -3.637 2.475) 4.399 5.547 ( 0.000 3.932 -1.419) 4.180 5.633 ( 0.000 4.543 1.213) 4.702 5.722 ( 0.000 6.632 0.560) 6.656 6.023 ( 0.000 7.678 2.239) 7.998 6.181 ( 0.000 -4.705 1.051) 4.821 6.195 ( 0.000 -0.515 5.930) 5.953 6.308 ( 0.000 15.919 13.724) 21.018 6.459 ( 0.000 -8.231 4.734) 9.496 6.641 ( 0.000 6.303 -4.001) 7.465 6.989 ( 0.000 -7.394 -10.648) 12.964 7.348 ( 0.000 5.049 -3.990) 6.435 7.907 ( 0.000 -24.301 16.706) 29.489 8.562 ( 0.000 7.208 -18.340) 19.706 8.848 ( 0.000 3.685 -15.237) 15.676 8.915 ( 0.000 -0.333 -13.072) 13.076 8.923 ( 0.000 -26.945 -0.816) 26.957 9.468 ( 0.000 -27.990 -7.543) 28.989 10.255 ( 0.000 0.513 8.577) 8.592 10.277 ( 0.000 -0.546 8.890) 8.907 10.587 ( 0.000 11.389 2.528) 11.667 10.989 ( 0.000 -8.279 0.571) 8.299 11.009 ( 0.000 0.782 -2.650) 2.763 11.032 ( 0.000 -0.926 -2.112) 2.306 11.084 ( 0.000 0.788 -3.134) 3.232 11.131 ( 0.000 -2.028 -0.644) 2.128 12.999 ( 0.000 6.799 5.141) 8.524 13.201 ( 0.000 -2.837 3.310) 4.360 13.212 ( 0.000 25.443 4.231) 25.792 13.971 ( 0.000 -12.761 -2.695) 13.042 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.12 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 8.845 19.849 11.454) 24.564 1.440 ( 11.559 16.452 6.943) 21.272 1.823 ( 6.860 -2.354 6.607) 9.810 1.904 ( 2.646 -7.412 10.148) 12.843 2.006 ( 0.096 -9.764 0.193) 9.767 2.128 ( 6.992 -13.077 -1.168) 14.875 2.235 ( -1.297 8.850 -2.243) 9.222 2.515 ( 4.030 -6.624 -4.070) 8.756 2.576 ( 1.445 13.579 7.228) 15.450 2.728 ( -3.949 -0.720 2.066) 4.515 2.744 ( -1.046 4.825 -8.206) 9.577 2.824 ( 0.380 5.446 -0.889) 5.531 2.948 ( -2.295 1.473 2.538) 3.725 3.122 ( -9.726 1.667 -2.364) 10.147 3.222 ( -5.978 3.053 -1.655) 6.914 3.332 ( -4.750 -0.680 -4.831) 6.810 3.412 ( -11.071 -7.993 -1.675) 13.757 3.608 ( 6.558 5.691 -2.864) 9.144 3.663 ( 1.672 -1.164 -13.167) 13.323 3.789 ( 1.674 2.285 -4.996) 5.743 4.012 ( 4.588 -5.761 -1.957) 7.620 4.165 ( 16.376 -7.524 -7.201) 19.407 4.234 ( 2.114 3.149 -3.400) 5.094 4.396 ( 4.045 -0.381 3.662) 5.470 4.697 ( 2.122 3.459 10.671) 11.417 4.712 ( 2.091 5.259 5.950) 8.212 4.831 ( -5.231 8.949 5.857) 11.906 5.062 ( -2.453 0.883 -0.206) 2.616 5.168 ( 8.338 10.381 4.469) 14.045 5.354 ( 4.271 4.125 9.528) 11.227 5.482 ( 0.024 -2.058 3.028) 3.661 5.586 ( 2.457 1.641 -2.429) 3.825 5.708 ( 8.034 13.142 -0.421) 15.409 5.792 ( 5.027 7.423 -0.595) 8.985 5.960 ( -3.295 4.836 1.690) 6.091 6.149 ( -3.102 -0.304 0.554) 3.166 6.255 ( 4.036 0.510 3.994) 5.700 6.390 ( 6.099 11.840 13.054) 18.649 6.441 ( -1.457 -4.486 3.459) 5.849 6.687 ( 5.310 3.621 5.060) 8.180 6.909 ( -6.966 -2.152 -8.431) 11.146 7.363 ( 0.566 0.855 -6.005) 6.092 7.907 ( 0.137 -25.632 14.158) 29.282 8.254 ( -20.613 10.243 -24.384) 33.532 8.445 ( -25.262 -12.214 -23.425) 36.552 8.993 ( 3.757 6.640 4.279) 8.747 9.125 ( 2.508 -28.651 2.209) 28.845 9.490 ( 0.531 -18.643 3.798) 19.034 10.296 ( 4.449 1.312 3.911) 6.068 10.333 ( 5.810 -0.797 4.601) 7.454 10.616 ( 2.651 10.304 2.932) 11.037 10.941 ( -4.675 1.278 -4.083) 6.337 10.997 ( 0.365 -7.202 0.257) 7.216 11.020 ( -0.924 -3.772 -2.058) 4.395 11.109 ( 0.950 0.041 -0.486) 1.068 11.130 ( -0.544 -1.192 0.526) 1.412 13.026 ( 2.791 6.652 2.147) 7.527 13.218 ( 1.697 -2.405 1.358) 3.241 13.243 ( 2.800 23.407 2.571) 23.713 13.936 ( -3.466 -11.001 -4.152) 12.259 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.25 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 8.201 12.870 7.379) 16.952 1.639 ( 8.046 11.445 3.558) 14.435 1.937 ( 1.737 -8.652 4.966) 10.126 1.952 ( 2.478 -2.635 5.729) 6.775 2.049 ( 3.999 -8.292 0.542) 9.222 2.149 ( -2.354 -0.556 -2.613) 3.561 2.248 ( -2.033 -5.846 -1.927) 6.482 2.444 ( -8.539 -1.529 -5.049) 10.037 2.547 ( -1.039 -3.432 -8.319) 9.059 2.656 ( -2.233 -3.110 -2.147) 4.390 2.729 ( -6.832 7.031 0.349) 9.810 2.952 ( 9.947 3.952 2.326) 10.953 2.993 ( 4.463 2.742 -1.210) 5.376 3.057 ( -2.946 -1.256 1.689) 3.621 3.156 ( 7.866 9.085 1.939) 12.173 3.253 ( 2.828 7.310 -0.785) 7.878 3.286 ( -0.957 -6.746 -5.781) 8.936 3.642 ( 0.177 -6.716 -14.319) 15.817 3.744 ( 3.630 7.633 3.734) 9.240 3.866 ( 4.356 5.400 4.554) 8.299 4.035 ( -2.686 -1.172 -0.028) 2.931 4.315 ( 7.277 3.088 -7.434) 10.852 4.423 ( 8.307 1.053 -9.962) 13.014 4.537 ( 10.540 -5.874 6.321) 13.621 4.692 ( -2.653 11.909 2.772) 12.512 4.818 ( 7.465 0.682 1.704) 7.687 4.842 ( 5.973 4.797 3.966) 8.627 5.041 ( 0.670 2.597 -5.129) 5.788 5.351 ( 7.832 7.896 2.422) 11.382 5.403 ( 0.364 -3.758 7.664) 8.544 5.449 ( -1.867 -2.814 -1.110) 3.555 5.671 ( 5.423 2.956 -3.590) 7.144 5.773 ( -1.911 10.017 3.067) 10.649 5.836 ( -1.846 4.914 -6.623) 8.451 5.983 ( 3.184 9.037 -0.521) 9.595 6.100 ( -1.973 4.646 -2.597) 5.676 6.273 ( -4.243 -4.999 2.635) 7.066 6.391 ( -0.314 10.143 -3.203) 10.641 6.479 ( -0.198 -3.086 10.667) 11.106 6.800 ( -1.434 12.775 -3.366) 13.288 6.905 ( 17.146 6.000 23.604) 29.785 7.278 ( -12.015 -3.543 -20.215) 23.781 7.787 ( -18.668 -12.641 -23.313) 32.431 7.979 ( -2.488 8.747 -5.549) 10.654 8.087 ( -1.714 -28.590 0.357) 28.644 8.935 ( -8.722 4.937 19.339) 21.782 9.070 ( -6.617 -32.361 4.161) 33.292 9.403 ( -10.045 -12.514 22.899) 27.963 10.429 ( 7.992 2.997 -2.566) 8.913 10.501 ( 9.942 -1.307 0.067) 10.027 10.684 ( 3.939 7.861 3.784) 9.573 10.843 ( -4.768 3.209 -4.761) 7.463 10.995 ( -0.927 -4.978 -1.952) 5.426 11.015 ( 0.573 -7.881 0.416) 7.912 11.097 ( -2.567 -0.768 2.359) 3.570 11.105 ( -1.567 -0.778 1.807) 2.516 13.117 ( 6.308 5.828 -4.388) 9.644 13.266 ( 2.893 -1.194 -2.938) 4.293 13.309 ( 3.311 18.402 -1.227) 18.738 13.834 ( -6.608 -7.317 -7.144) 12.175 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.38 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 3.927 5.039 4.035) 7.557 1.759 ( 3.998 4.835 2.289) 6.678 1.886 ( -6.182 -5.679 -0.543) 8.412 2.003 ( 3.089 -5.426 5.586) 8.377 2.079 ( -6.838 -8.901 -4.075) 11.941 2.110 ( -0.098 -8.772 6.330) 10.818 2.175 ( 0.705 0.754 -0.898) 1.368 2.343 ( -2.101 -4.809 3.874) 6.523 2.466 ( -3.689 0.692 -5.166) 6.386 2.603 ( -4.003 9.420 -0.063) 10.235 2.699 ( 4.004 -2.904 -2.567) 5.573 2.877 ( -7.497 -0.380 -4.528) 8.766 3.038 ( 2.658 2.738 -0.325) 3.830 3.137 ( -2.943 7.138 -2.389) 8.082 3.293 ( 12.553 6.604 -0.939) 14.215 3.340 ( 5.278 -7.572 -8.733) 12.707 3.567 ( 10.136 -3.259 -7.797) 13.197 3.698 ( 8.043 -0.763 -5.207) 9.612 3.794 ( 1.440 4.235 3.083) 5.433 3.926 ( -7.007 3.956 -2.085) 8.312 3.975 ( 9.817 14.906 11.683) 21.332 4.498 ( -2.029 11.279 2.885) 11.818 4.523 ( 10.486 -3.175 -7.583) 13.324 4.648 ( 0.791 1.335 -5.334) 5.555 4.773 ( 11.995 -0.782 0.629) 12.037 4.979 ( 7.070 7.583 -2.419) 10.646 4.997 ( 9.367 0.718 -0.030) 9.395 5.092 ( 4.610 1.707 -6.906) 8.477 5.319 ( -7.738 -4.573 -4.175) 9.910 5.406 ( -0.457 6.218 2.990) 6.915 5.468 ( -2.068 -6.673 -5.124) 8.664 5.680 ( -5.816 7.606 0.334) 9.581 5.735 ( -2.591 4.451 0.472) 5.172 5.808 ( 2.359 -1.867 0.810) 3.116 5.930 ( -12.203 6.173 -1.116) 13.721 6.019 ( -1.347 8.922 -5.583) 10.611 6.195 ( 2.432 1.200 -8.500) 8.922 6.445 ( 3.130 12.984 0.991) 13.393 6.480 ( 1.816 -2.672 1.579) 3.596 6.772 ( -6.583 8.553 -22.127) 24.619 6.966 ( -9.043 12.163 -13.703) 20.432 7.312 ( -3.089 0.657 -8.315) 8.894 7.404 ( 7.829 -1.893 7.128) 10.756 8.089 ( 1.664 -29.815 8.240) 30.978 8.219 ( 16.092 -2.781 25.609) 30.373 8.718 ( -9.256 0.761 21.717) 23.620 8.898 ( -9.729 -33.267 3.779) 34.866 9.098 ( -19.435 -10.848 30.672) 37.897 10.579 ( 6.231 5.381 -4.801) 9.531 10.698 ( 9.073 -1.605 0.021) 9.214 10.750 ( -2.725 5.195 -3.149) 6.658 10.784 ( 4.499 4.235 3.185) 6.951 10.957 ( -3.185 -3.999 -0.947) 5.199 11.015 ( -3.593 -1.060 2.779) 4.664 11.035 ( -0.594 -6.177 1.159) 6.313 11.067 ( -1.707 -3.500 2.066) 4.408 13.276 ( 9.239 3.791 -9.628) 13.872 13.326 ( 2.825 1.552 -6.458) 7.218 13.361 ( 1.548 12.016 -5.034) 13.119 13.675 ( -9.086 -3.281 -9.951) 13.869 ======================= Grid point 85 (35/100) ======================= q-point: (-0.50 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -6.660 -0.675 1.992) 6.984 1.704 ( 6.660 -0.675 1.992) 6.984 1.898 ( -6.978 -4.144 -2.338) 8.446 1.898 ( 6.978 -4.144 -2.338) 8.446 2.096 ( -2.742 -4.344 5.907) 7.828 2.096 ( 2.742 -4.344 5.907) 7.828 2.230 ( -5.446 -8.028 4.069) 10.519 2.230 ( 5.446 -8.028 4.069) 10.519 2.526 ( -5.302 6.740 -1.641) 8.731 2.526 ( 5.302 6.740 -1.641) 8.731 2.765 ( -3.288 0.566 -4.435) 5.550 2.765 ( 3.288 0.566 -4.435) 5.550 3.085 ( -2.233 5.343 -1.593) 6.006 3.085 ( 2.233 5.343 -1.593) 6.006 3.411 ( -1.392 -4.777 -7.182) 8.737 3.411 ( 1.392 -4.777 -7.182) 8.737 3.713 ( -7.166 7.182 -0.605) 10.163 3.713 ( 7.166 7.182 -0.605) 10.163 3.824 ( -2.282 -0.373 -2.570) 3.457 3.824 ( 2.282 -0.373 -2.570) 3.457 4.292 ( -16.014 12.817 5.605) 21.264 4.292 ( 16.014 12.817 5.605) 21.264 4.668 ( -1.811 -2.274 -1.558) 3.298 4.668 ( 1.811 -2.274 -1.558) 3.298 5.055 ( -12.494 1.781 -6.019) 13.982 5.055 ( 12.494 1.781 -6.019) 13.982 5.092 ( -1.412 2.222 -8.643) 9.035 5.092 ( 1.412 2.222 -8.643) 9.035 5.278 ( -11.900 2.182 -1.186) 12.156 5.278 ( 11.900 2.182 -1.186) 12.156 5.486 ( -8.633 -1.903 -2.392) 9.158 5.486 ( 8.633 -1.903 -2.392) 9.158 5.743 ( -3.397 3.007 1.360) 4.736 5.743 ( 3.397 3.007 1.360) 4.736 5.932 ( -5.762 6.471 -0.290) 8.669 5.932 ( 5.762 6.471 -0.290) 8.669 6.363 ( -10.352 4.834 -11.723) 16.370 6.363 ( 10.352 4.834 -11.723) 16.370 6.580 ( -6.843 7.340 -10.999) 14.889 6.580 ( 6.843 7.340 -10.999) 14.889 7.019 ( -10.702 5.657 -20.698) 23.978 7.019 ( 10.702 5.657 -20.698) 23.978 7.865 ( -21.196 -6.200 30.284) 37.481 7.865 ( 21.196 -6.200 30.284) 37.481 8.632 ( -17.712 -8.126 28.850) 34.815 8.632 ( 17.712 -8.126 28.850) 34.815 8.730 ( -2.932 -23.963 8.982) 25.759 8.730 ( 2.932 -23.963 8.982) 25.759 10.677 ( -3.881 6.354 -4.584) 8.743 10.677 ( 3.881 6.354 -4.584) 8.743 10.858 ( -6.561 -2.096 0.315) 6.895 10.858 ( 6.561 -2.096 0.315) 6.895 10.905 ( -6.254 1.462 4.101) 7.620 10.905 ( 6.254 1.462 4.101) 7.620 11.044 ( -0.726 -6.342 0.928) 6.451 11.044 ( 0.726 -6.342 0.928) 6.451 13.365 ( -1.023 6.084 -7.142) 9.437 13.365 ( 1.023 6.084 -7.142) 9.437 13.478 ( -10.223 0.559 -11.274) 15.229 13.478 ( 10.223 0.559 -11.274) 15.229 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 0.000 -0.068 6.130) 6.131 1.568 ( 0.000 0.068 6.130) 6.131 1.660 ( 0.000 -1.456 13.193) 13.273 1.660 ( 0.000 1.456 13.193) 13.273 1.875 ( 0.000 -1.026 0.768) 1.282 1.875 ( 0.000 1.026 0.768) 1.282 2.368 ( 0.000 -0.440 -3.948) 3.972 2.368 ( 0.000 0.440 -3.948) 3.972 2.770 ( 0.000 -1.182 5.690) 5.811 2.770 ( 0.000 1.182 5.690) 5.811 2.850 ( 0.000 -1.931 -5.660) 5.981 2.850 ( 0.000 1.931 -5.660) 5.981 3.116 ( 0.000 -12.156 5.062) 13.168 3.116 ( 0.000 12.156 5.062) 13.168 3.416 ( 0.000 -6.202 -1.227) 6.322 3.416 ( 0.000 6.202 -1.227) 6.322 3.505 ( 0.000 -3.720 -11.876) 12.445 3.505 ( 0.000 3.720 -11.876) 12.445 3.699 ( 0.000 -11.545 -2.200) 11.753 3.699 ( 0.000 11.545 -2.200) 11.753 3.855 ( 0.000 -1.268 -12.651) 12.714 3.855 ( 0.000 1.268 -12.651) 12.714 4.280 ( 0.000 -4.862 1.002) 4.964 4.280 ( 0.000 4.862 1.002) 4.964 4.765 ( 0.000 -2.133 14.134) 14.294 4.765 ( 0.000 2.133 14.134) 14.294 4.927 ( 0.000 -1.364 7.422) 7.546 4.927 ( 0.000 1.364 7.422) 7.546 5.328 ( 0.000 -6.778 2.628) 7.270 5.328 ( 0.000 6.778 2.628) 7.270 5.566 ( 0.000 -2.796 -1.116) 3.011 5.566 ( 0.000 2.796 -1.116) 3.011 5.815 ( 0.000 -2.513 0.548) 2.572 5.815 ( 0.000 2.513 0.548) 2.572 6.100 ( 0.000 -6.210 4.978) 7.959 6.100 ( 0.000 6.210 4.978) 7.959 6.240 ( 0.000 -10.590 6.321) 12.333 6.240 ( 0.000 10.590 6.321) 12.333 6.816 ( 0.000 -6.745 -4.630) 8.181 6.816 ( 0.000 6.745 -4.630) 8.181 6.838 ( 0.000 -21.725 4.870) 22.264 6.838 ( 0.000 21.725 4.870) 22.264 8.219 ( 0.000 -37.481 2.009) 37.535 8.219 ( 0.000 37.481 2.009) 37.535 8.728 ( 0.000 -8.051 -17.625) 19.377 8.728 ( 0.000 8.051 -17.625) 19.377 9.112 ( 0.000 -13.323 -8.359) 15.728 9.112 ( 0.000 13.323 -8.359) 15.728 10.266 ( 0.000 -0.607 8.733) 8.755 10.266 ( 0.000 0.607 8.733) 8.755 10.800 ( 0.000 -10.692 1.764) 10.836 10.800 ( 0.000 10.692 1.764) 10.836 11.022 ( 0.000 -0.552 -2.484) 2.545 11.022 ( 0.000 0.552 -2.484) 2.545 11.103 ( 0.000 -1.148 -2.223) 2.502 11.103 ( 0.000 1.148 -2.223) 2.502 13.121 ( 0.000 -5.493 4.196) 6.912 13.121 ( 0.000 5.493 4.196) 6.912 13.654 ( 0.000 -20.128 0.539) 20.135 13.654 ( 0.000 20.128 0.539) 20.135 ======================= Grid point 92 (37/100) ======================= q-point: ( 0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 5.642 -13.394 9.930) 17.602 1.642 ( 5.642 13.394 9.930) 17.602 1.757 ( 6.911 -10.829 3.721) 13.374 1.757 ( 6.911 10.829 3.721) 13.374 1.905 ( 4.194 -5.421 2.641) 7.345 1.905 ( 4.194 5.421 2.641) 7.345 2.363 ( -0.718 -6.946 -5.468) 8.869 2.363 ( -0.718 6.946 -5.468) 8.869 2.712 ( -6.495 -1.449 -3.466) 7.503 2.712 ( -6.495 1.449 -3.466) 7.503 2.883 ( 3.964 -5.394 2.564) 7.168 2.883 ( 3.964 5.394 2.564) 7.168 3.031 ( -6.154 -9.826 2.634) 11.889 3.031 ( -6.154 9.826 2.634) 11.889 3.283 ( -7.403 -4.918 1.136) 8.960 3.283 ( -7.403 4.918 1.136) 8.960 3.479 ( -1.680 -10.156 -16.391) 19.355 3.479 ( -1.680 10.156 -16.391) 19.355 3.811 ( 6.694 -6.215 -0.251) 9.137 3.811 ( 6.694 6.215 -0.251) 9.137 3.966 ( 8.283 -7.848 -0.254) 11.413 3.966 ( 8.283 7.848 -0.254) 11.413 4.327 ( 4.703 -5.143 -4.225) 8.150 4.327 ( 4.703 5.143 -4.225) 8.150 4.761 ( 1.154 -3.215 9.472) 10.069 4.761 ( 1.154 3.215 9.472) 10.069 4.943 ( 0.755 -8.842 6.730) 11.137 4.943 ( 0.755 8.842 6.730) 11.137 5.335 ( 1.240 -6.352 3.348) 7.287 5.335 ( 1.240 6.352 3.348) 7.287 5.565 ( 0.748 -4.560 -3.624) 5.873 5.565 ( 0.748 4.560 -3.624) 5.873 5.900 ( 3.385 -4.426 -2.443) 6.084 5.900 ( 3.385 4.426 -2.443) 6.084 6.107 ( 1.496 -5.862 6.041) 8.550 6.107 ( 1.496 5.862 6.041) 8.550 6.270 ( 3.574 -8.724 7.230) 11.881 6.270 ( 3.574 8.724 7.230) 11.881 6.795 ( -1.791 -11.377 -4.774) 12.468 6.795 ( -1.791 11.377 -4.774) 12.468 6.886 ( 5.242 -30.083 9.144) 31.876 6.886 ( 5.242 30.083 9.144) 31.876 8.080 ( -14.681 -26.371 -9.106) 31.526 8.080 ( -14.681 26.371 -9.106) 31.526 8.523 ( -11.794 -20.120 -15.257) 27.869 8.523 ( -11.794 20.120 -15.257) 27.869 9.229 ( 4.283 -11.861 6.888) 14.369 9.229 ( 4.283 11.861 6.888) 14.369 10.317 ( 5.311 -0.930 4.513) 7.031 10.317 ( 5.311 0.930 4.513) 7.031 10.814 ( 1.293 -10.095 1.609) 10.304 10.814 ( 1.293 10.095 1.609) 10.304 10.975 ( -3.409 -1.766 -3.373) 5.111 10.975 ( -3.409 1.766 -3.373) 5.111 11.115 ( 0.226 -0.519 -0.186) 0.596 11.115 ( 0.226 0.519 -0.186) 0.596 13.144 ( 2.329 -5.234 1.787) 6.001 13.144 ( 2.329 5.234 1.787) 6.001 13.651 ( -0.451 -18.476 -0.947) 18.505 13.651 ( -0.451 18.476 -0.947) 18.505 ======================= Grid point 94 (38/100) ======================= q-point: ( 0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 2.502 -11.550 9.694) 15.285 1.731 ( 2.502 11.550 9.694) 15.285 1.859 ( 4.320 -9.154 1.380) 10.216 1.859 ( 4.320 9.154 1.380) 10.216 2.004 ( 1.071 -7.556 1.482) 7.774 2.004 ( 1.071 7.556 1.482) 7.774 2.318 ( -3.544 -7.865 -3.896) 9.465 2.318 ( -3.544 7.865 -3.896) 9.465 2.581 ( -4.569 -3.936 -8.034) 10.046 2.581 ( -4.569 3.936 -8.034) 10.046 2.864 ( -4.177 -7.088 1.742) 8.410 2.864 ( -4.177 7.088 1.742) 8.410 3.059 ( 6.437 -2.837 0.544) 7.056 3.059 ( 6.437 2.837 0.544) 7.056 3.234 ( 3.677 -1.789 -2.623) 4.858 3.234 ( 3.677 1.789 -2.623) 4.858 3.453 ( 0.047 -11.601 -11.676) 16.459 3.453 ( 0.047 11.601 -11.676) 16.459 3.912 ( 2.864 -6.606 0.739) 7.238 3.912 ( 2.864 6.606 0.739) 7.238 4.129 ( 8.105 -15.215 9.682) 19.772 4.129 ( 8.105 15.215 9.682) 19.772 4.468 ( 8.951 -2.779 -9.266) 13.179 4.468 ( 8.951 2.779 -9.266) 13.179 4.831 ( 4.658 -0.950 5.694) 7.418 4.831 ( 4.658 0.950 5.694) 7.418 4.958 ( 1.932 -10.587 0.377) 10.768 4.958 ( 1.932 10.587 0.377) 10.768 5.358 ( -0.264 -2.028 2.394) 3.148 5.358 ( -0.264 2.028 2.394) 3.148 5.600 ( 2.526 -9.031 -3.528) 10.019 5.600 ( 2.526 9.031 -3.528) 10.019 5.900 ( -2.199 -0.923 -4.318) 4.933 5.900 ( -2.199 0.923 -4.318) 4.933 6.103 ( -2.295 -6.738 5.093) 8.753 6.103 ( -2.295 6.738 5.093) 8.753 6.321 ( -1.778 -10.891 -3.475) 11.569 6.321 ( -1.778 10.891 -3.475) 11.569 6.855 ( 8.306 -25.336 3.614) 26.907 6.855 ( 8.306 25.336 3.614) 26.907 7.021 ( 8.020 -10.169 13.205) 18.496 7.021 ( 8.020 10.169 13.205) 18.496 7.694 ( -19.685 -11.350 -24.515) 33.426 7.694 ( -19.685 11.350 -24.515) 33.426 8.359 ( -5.119 -28.932 -2.454) 29.484 8.359 ( -5.119 28.932 -2.454) 29.484 9.178 ( -9.170 -11.767 24.553) 28.730 9.178 ( -9.170 11.767 24.553) 28.730 10.472 ( 9.316 -1.734 -0.788) 9.509 10.472 ( 9.316 1.734 -0.788) 9.509 10.847 ( 1.797 -8.604 1.448) 8.909 10.847 ( 1.797 8.604 1.448) 8.909 10.910 ( -2.828 -3.661 -3.509) 5.806 10.910 ( -2.828 3.661 -3.509) 5.806 11.096 ( -2.203 -0.315 2.075) 3.042 11.096 ( -2.203 0.315 2.075) 3.042 13.215 ( 4.741 -4.070 -3.508) 7.166 13.215 ( 4.741 4.070 -3.508) 7.166 13.627 ( -2.101 -14.097 -4.234) 14.868 13.627 ( -2.101 14.097 -4.234) 14.868 ======================= Grid point 96 (39/100) ======================= q-point: ( 0.38 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -0.107 -8.913 5.914) 10.697 1.748 ( -0.107 8.913 5.914) 10.697 1.880 ( -5.894 -7.097 0.260) 9.230 1.880 ( -5.894 7.097 0.260) 9.230 1.991 ( 4.149 -3.195 4.508) 6.910 1.991 ( 4.149 3.195 4.508) 6.910 2.221 ( -5.944 -4.502 1.494) 7.605 2.221 ( -5.944 4.502 1.494) 7.605 2.581 ( 3.708 -7.277 -6.991) 10.751 2.581 ( 3.708 7.277 -6.991) 10.751 2.776 ( -4.741 -7.613 0.186) 8.970 2.776 ( -4.741 7.613 0.186) 8.970 3.171 ( 4.932 -9.189 -5.400) 11.744 3.171 ( 4.932 9.189 -5.400) 11.744 3.305 ( -0.346 -6.403 -7.042) 9.524 3.305 ( -0.346 6.403 -7.042) 9.524 3.578 ( 12.166 -5.599 -5.079) 14.323 3.578 ( 12.166 5.599 -5.079) 14.323 3.913 ( -2.802 -3.741 -0.022) 4.674 3.913 ( -2.802 3.741 -0.022) 4.674 4.319 ( 11.108 -16.712 7.183) 21.314 4.319 ( 11.108 16.712 7.183) 21.314 4.623 ( 3.264 -3.082 -2.542) 5.159 4.623 ( 3.264 3.082 -2.542) 5.159 4.909 ( 5.286 -10.169 -0.787) 11.488 4.909 ( 5.286 10.169 -0.787) 11.488 5.076 ( 8.616 -3.483 -3.184) 9.824 5.076 ( 8.616 3.483 -3.184) 9.824 5.299 ( -4.778 -4.641 -4.936) 8.291 5.299 ( -4.778 4.641 -4.936) 8.291 5.619 ( -4.582 -9.636 -0.136) 10.671 5.619 ( -4.582 9.636 -0.136) 10.671 5.817 ( -3.021 -2.798 -0.576) 4.158 5.817 ( -3.021 2.798 -0.576) 4.158 6.013 ( -6.819 -6.332 7.004) 11.647 6.013 ( -6.819 6.332 7.004) 11.647 6.325 ( 6.240 -8.932 -16.541) 19.807 6.325 ( 6.240 8.932 -16.541) 19.807 6.853 ( -11.569 -11.574 -20.160) 25.966 6.853 ( -11.569 11.574 -20.160) 25.966 7.252 ( 12.910 -13.946 17.001) 25.500 7.252 ( 12.910 13.946 17.001) 25.500 7.460 ( -2.290 -23.906 -6.618) 24.911 7.460 ( -2.290 23.906 -6.618) 24.911 8.328 ( 3.382 -16.777 9.743) 19.693 8.328 ( 3.382 16.777 9.743) 19.693 8.897 ( -17.578 -10.492 31.420) 37.500 8.897 ( -17.578 10.492 31.420) 37.500 10.656 ( 8.343 -2.871 -2.201) 9.094 10.656 ( 8.343 2.871 -2.201) 9.094 10.855 ( -2.326 -5.637 -3.324) 6.945 10.855 ( -2.326 5.637 -3.324) 6.945 10.890 ( 2.046 -6.666 1.915) 7.231 10.890 ( 2.046 6.666 1.915) 7.231 11.031 ( -3.991 -0.997 3.351) 5.306 11.031 ( -3.991 0.997 3.351) 5.306 13.328 ( 6.286 -1.386 -7.858) 10.158 13.328 ( 6.286 1.386 -7.858) 10.158 13.562 ( -4.352 -8.459 -7.443) 12.078 13.562 ( -4.352 8.459 -7.443) 12.078 ======================= Grid point 98 (40/100) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -3.070 -6.915 3.015) 8.144 1.770 ( 2.741 -6.880 3.015) 7.996 1.770 ( -2.741 6.880 3.015) 7.996 1.770 ( 3.070 6.915 3.015) 8.144 2.101 ( -3.811 -3.684 3.427) 6.312 2.101 ( -2.766 -3.443 3.427) 5.590 2.101 ( 2.766 3.443 3.427) 5.590 2.101 ( 3.811 3.684 3.427) 6.312 2.676 ( -4.875 -7.645 -2.947) 9.534 2.676 ( 4.299 -7.558 -2.947) 9.181 2.676 ( -4.299 7.558 -2.947) 9.181 2.676 ( 4.875 7.645 -2.947) 9.534 3.258 ( -3.566 -10.092 -6.957) 12.765 3.258 ( 3.543 -10.090 -6.957) 12.758 3.258 ( -3.543 10.090 -6.957) 12.758 3.258 ( 3.566 10.092 -6.957) 12.765 3.800 ( -8.435 -2.429 -1.724) 8.946 3.800 ( -7.911 1.939 -1.724) 8.326 3.800 ( 7.911 -1.939 -1.724) 8.326 3.800 ( 8.435 2.429 -1.724) 8.946 4.544 ( -9.447 -10.802 3.380) 14.743 4.544 ( 9.251 -10.760 3.380) 14.587 4.544 ( -9.251 10.760 3.380) 14.587 4.544 ( 9.447 10.802 3.380) 14.743 5.077 ( -8.921 -2.041 -6.889) 11.455 5.077 ( -8.758 1.856 -6.889) 11.296 5.077 ( 8.758 -1.856 -6.889) 11.296 5.077 ( 8.921 2.041 -6.889) 11.455 5.382 ( -13.325 -6.680 -3.519) 15.316 5.382 ( -2.819 -1.488 -3.519) 4.748 5.382 ( 2.819 1.488 -3.519) 4.748 5.382 ( 13.325 6.680 -3.519) 15.316 5.874 ( -5.792 -7.975 6.099) 11.591 5.874 ( 4.675 -7.790 6.099) 10.942 5.874 ( -4.675 7.790 6.099) 10.942 5.874 ( 5.792 7.975 6.099) 11.591 6.553 ( -13.490 -8.494 -24.527) 29.253 6.553 ( -2.459 -5.307 -24.527) 25.215 6.553 ( 2.459 5.307 -24.527) 25.215 6.553 ( 13.490 8.494 -24.527) 29.253 7.431 ( -3.725 -32.099 6.391) 32.940 7.431 ( 3.566 -32.094 6.391) 32.918 7.431 ( -3.566 32.094 6.391) 32.918 7.431 ( 3.725 32.099 6.391) 32.940 8.535 ( -16.271 -3.426 26.220) 31.048 8.535 ( -16.089 3.204 26.220) 30.929 8.535 ( 16.089 -3.204 26.220) 30.929 8.535 ( 16.271 3.426 26.220) 31.048 10.789 ( -4.629 -5.065 -3.229) 7.584 10.789 ( 4.521 -5.041 -3.229) 7.502 10.789 ( -4.521 5.041 -3.229) 7.502 10.789 ( 4.629 5.065 -3.229) 7.584 10.949 ( -3.760 -3.400 3.401) 6.104 10.949 ( 3.727 -3.391 3.401) 6.079 10.949 ( -3.727 3.391 3.401) 6.079 10.949 ( 3.760 3.400 3.401) 6.104 13.456 ( -6.070 -3.006 -9.078) 11.326 13.456 ( -1.101 0.360 -9.078) 9.151 13.456 ( 1.101 -0.360 -9.078) 9.151 13.456 ( 6.070 3.006 -9.078) 11.326 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 0.000 0.000 24.607) 24.607 1.249 ( 0.000 0.000 24.134) 24.134 1.811 ( 0.000 0.000 17.438) 17.438 2.153 ( 0.000 0.000 -2.382) 2.382 2.184 ( 0.000 0.000 2.402) 2.402 2.207 ( 0.000 0.000 24.848) 24.848 2.419 ( 0.000 0.000 6.731) 6.731 2.435 ( 0.000 0.000 -16.401) 16.401 2.535 ( 0.000 0.000 -2.390) 2.390 2.559 ( 0.000 0.000 -2.054) 2.054 2.663 ( 0.000 0.000 -9.795) 9.795 2.804 ( 0.000 0.000 -5.076) 5.076 2.837 ( 0.000 0.000 -3.488) 3.488 2.911 ( 0.000 0.000 3.617) 3.617 3.152 ( 0.000 0.000 4.653) 4.653 3.316 ( 0.000 0.000 -3.961) 3.961 3.434 ( 0.000 0.000 -10.597) 10.597 3.633 ( 0.000 0.000 -11.931) 11.931 3.661 ( 0.000 0.000 -3.604) 3.604 3.750 ( 0.000 0.000 6.973) 6.973 3.865 ( 0.000 0.000 -6.206) 6.206 3.887 ( 0.000 0.000 4.694) 4.694 3.962 ( 0.000 0.000 2.102) 2.102 4.402 ( 0.000 0.000 -6.028) 6.028 4.463 ( 0.000 0.000 -7.409) 7.409 4.568 ( 0.000 0.000 16.370) 16.370 4.932 ( 0.000 0.000 13.758) 13.758 5.097 ( 0.000 0.000 14.065) 14.065 5.307 ( 0.000 0.000 -4.577) 4.577 5.415 ( 0.000 0.000 5.142) 5.142 5.494 ( 0.000 0.000 7.705) 7.705 5.607 ( 0.000 0.000 -4.907) 4.907 5.657 ( 0.000 0.000 4.764) 4.764 5.780 ( 0.000 0.000 6.548) 6.548 5.832 ( 0.000 0.000 6.151) 6.151 6.084 ( 0.000 0.000 21.941) 21.941 6.107 ( 0.000 0.000 6.978) 6.978 6.321 ( 0.000 0.000 0.739) 0.739 6.418 ( 0.000 0.000 -3.639) 3.639 6.699 ( 0.000 0.000 1.236) 1.236 6.857 ( 0.000 0.000 -13.000) 13.000 7.653 ( 0.000 0.000 14.858) 14.858 7.911 ( 0.000 0.000 -27.582) 27.582 8.189 ( 0.000 0.000 -19.526) 19.526 8.549 ( 0.000 0.000 -21.712) 21.712 9.123 ( 0.000 0.000 6.238) 6.238 9.171 ( 0.000 0.000 -8.592) 8.592 10.298 ( 0.000 0.000 -14.939) 14.939 10.346 ( 0.000 0.000 4.573) 4.573 10.439 ( 0.000 0.000 9.793) 9.793 10.497 ( 0.000 0.000 9.877) 9.877 10.803 ( 0.000 0.000 -9.094) 9.094 10.939 ( 0.000 0.000 -2.494) 2.494 11.006 ( 0.000 0.000 -2.817) 2.817 11.204 ( 0.000 0.000 0.441) 0.441 11.260 ( 0.000 0.000 -0.646) 0.646 12.772 ( 0.000 0.000 16.156) 16.156 13.011 ( 0.000 0.000 11.117) 11.117 13.294 ( 0.000 0.000 2.464) 2.464 14.005 ( 0.000 0.000 -8.248) 8.248 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 9.439 0.000 20.197) 22.294 1.223 ( 0.185 0.000 23.258) 23.259 1.961 ( 10.048 0.000 11.264) 15.095 2.178 ( 2.590 0.000 -0.654) 2.671 2.234 ( 4.943 0.000 3.673) 6.158 2.273 ( -4.270 0.000 11.053) 11.849 2.328 ( -4.906 0.000 -2.116) 5.343 2.381 ( -0.424 0.000 -7.604) 7.615 2.476 ( -2.829 0.000 -10.601) 10.972 2.637 ( 1.657 0.000 -0.022) 1.657 2.648 ( 6.934 0.000 7.068) 9.901 2.690 ( -1.423 0.000 -3.842) 4.097 2.836 ( -1.922 0.000 -2.370) 3.051 3.136 ( -8.944 0.000 -2.209) 9.212 3.167 ( 2.211 0.000 4.923) 5.397 3.177 ( 13.278 0.000 1.122) 13.325 3.442 ( 2.142 0.000 -7.948) 8.232 3.602 ( -7.078 0.000 -5.586) 9.016 3.718 ( 4.654 0.000 -4.784) 6.674 3.731 ( -0.689 0.000 2.767) 2.851 3.874 ( 0.527 0.000 -4.591) 4.621 3.878 ( -2.936 0.000 7.273) 7.843 4.134 ( 12.175 0.000 -5.517) 13.367 4.294 ( -7.736 0.000 1.911) 7.968 4.442 ( 1.881 0.000 -3.179) 3.694 4.670 ( 3.515 0.000 -1.295) 3.746 4.881 ( -2.321 0.000 9.616) 9.892 5.080 ( -1.506 0.000 13.360) 13.445 5.274 ( -0.701 0.000 -4.663) 4.716 5.336 ( -5.944 0.000 0.419) 5.959 5.588 ( -1.042 0.000 0.849) 1.344 5.613 ( 4.395 0.000 3.448) 5.586 5.660 ( -0.380 0.000 0.626) 0.732 5.673 ( -2.137 0.000 7.259) 7.567 5.778 ( -6.646 0.000 1.373) 6.786 6.147 ( 0.713 0.000 5.266) 5.314 6.222 ( 9.077 0.000 8.891) 12.706 6.281 ( -2.795 0.000 0.515) 2.843 6.615 ( 21.330 0.000 16.886) 27.205 6.621 ( -7.929 0.000 -8.186) 11.396 6.917 ( 4.910 0.000 0.017) 4.910 7.312 ( -36.177 0.000 -30.044) 47.025 7.738 ( 1.048 0.000 2.343) 2.567 8.110 ( -21.012 0.000 -7.706) 22.381 8.657 ( 23.196 0.000 -11.442) 25.864 9.093 ( 0.363 0.000 8.324) 8.332 9.613 ( 26.346 0.000 -4.611) 26.746 10.230 ( -6.558 0.000 -14.134) 15.581 10.270 ( -4.449 0.000 5.079) 6.752 10.509 ( 1.373 0.000 9.672) 9.769 10.529 ( 6.088 0.000 7.641) 9.770 10.705 ( -6.806 0.000 -6.918) 9.705 11.007 ( 3.784 0.000 -3.107) 4.896 11.072 ( 4.588 0.000 -3.238) 5.616 11.206 ( 0.172 0.000 0.431) 0.464 11.261 ( 0.033 0.000 -0.442) 0.444 12.802 ( 2.805 0.000 12.771) 13.075 12.952 ( -5.371 0.000 6.912) 8.754 13.266 ( -2.635 0.000 0.634) 2.710 13.900 ( -9.626 0.000 -9.742) 13.696 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 8.741 0.000 10.361) 13.556 1.408 ( 13.553 0.000 10.866) 17.371 1.979 ( -7.940 0.000 2.674) 8.378 2.116 ( -7.579 0.000 -3.473) 8.337 2.233 ( 2.444 0.000 3.497) 4.266 2.286 ( -9.566 0.000 -8.615) 12.874 2.305 ( 7.710 0.000 -1.181) 7.800 2.366 ( 2.832 0.000 0.900) 2.972 2.447 ( -6.229 0.000 -9.605) 11.448 2.702 ( 2.808 0.000 0.830) 2.928 2.759 ( 10.335 0.000 9.807) 14.247 2.782 ( 0.382 0.000 6.624) 6.635 2.917 ( 14.402 0.000 4.975) 15.237 3.097 ( 7.958 0.000 -3.186) 8.572 3.242 ( 4.298 0.000 3.681) 5.658 3.330 ( 1.223 0.000 -4.314) 4.485 3.411 ( -7.853 0.000 -9.970) 12.691 3.565 ( 5.760 0.000 3.267) 6.622 3.669 ( -9.203 0.000 1.982) 9.414 3.771 ( 0.699 0.000 6.356) 6.394 3.830 ( 4.167 0.000 0.908) 4.265 3.908 ( 2.400 0.000 -2.120) 3.202 4.247 ( 1.854 0.000 -2.644) 3.230 4.306 ( 6.028 0.000 -6.834) 9.113 4.415 ( -2.716 0.000 -0.982) 2.888 4.687 ( -1.260 0.000 -9.105) 9.192 4.896 ( 2.193 0.000 3.642) 4.251 5.100 ( 3.745 0.000 5.600) 6.737 5.205 ( -7.459 0.000 -8.897) 11.610 5.288 ( 1.162 0.000 -7.453) 7.543 5.492 ( -7.970 0.000 0.227) 7.973 5.579 ( 0.115 0.000 5.263) 5.264 5.632 ( -2.391 0.000 -2.355) 3.356 5.651 ( -2.005 0.000 0.730) 2.134 5.828 ( 4.952 0.000 3.184) 5.888 6.089 ( -5.292 0.000 -3.305) 6.239 6.175 ( -4.187 0.000 -4.002) 5.792 6.388 ( -14.790 0.000 -4.543) 15.472 6.451 ( 10.026 0.000 4.192) 10.867 6.587 ( -31.808 0.000 -32.607) 45.552 7.006 ( 3.074 0.000 8.316) 8.866 7.205 ( 32.182 0.000 33.038) 46.122 7.290 ( -28.311 0.000 -28.243) 39.990 8.310 ( 25.347 0.000 27.144) 37.138 8.962 ( 5.667 0.000 6.031) 8.276 9.147 ( 5.265 0.000 7.453) 9.125 10.000 ( 3.642 0.000 4.922) 6.123 10.061 ( -4.702 0.000 -3.770) 6.027 10.219 ( 0.116 0.000 0.187) 0.220 10.573 ( -6.004 0.000 -5.469) 8.121 10.576 ( 6.564 0.000 5.474) 8.547 10.659 ( 6.862 0.000 6.296) 9.313 11.052 ( 0.597 0.000 -1.229) 1.366 11.128 ( 0.394 0.000 -0.787) 0.880 11.211 ( 0.314 0.000 0.414) 0.520 11.257 ( -0.489 0.000 0.252) 0.550 12.840 ( -4.252 0.000 -5.025) 6.582 12.876 ( 4.291 0.000 4.663) 6.337 13.197 ( -3.919 0.000 -3.828) 5.478 13.652 ( -14.410 0.000 -14.806) 20.661 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 13.370 0.000 -1.415) 13.444 1.675 ( 12.279 0.000 0.646) 12.296 1.862 ( -2.141 0.000 -2.759) 3.493 1.955 ( -7.866 0.000 -4.736) 9.182 2.071 ( -9.889 0.000 -9.026) 13.389 2.205 ( -14.068 0.000 -13.113) 19.232 2.279 ( 1.700 0.000 8.096) 8.273 2.360 ( -2.763 0.000 5.742) 6.373 2.520 ( 10.043 0.000 7.970) 12.822 2.781 ( 3.687 0.000 11.552) 12.127 2.870 ( 2.944 0.000 2.425) 3.814 2.895 ( 9.166 0.000 9.258) 13.028 3.160 ( 7.281 0.000 2.116) 7.582 3.229 ( -5.849 0.000 -5.790) 8.230 3.288 ( 0.157 0.000 10.326) 10.327 3.298 ( 1.426 0.000 -12.264) 12.347 3.452 ( 1.987 0.000 -4.730) 5.130 3.481 ( -6.827 0.000 0.170) 6.829 3.555 ( 6.470 0.000 9.038) 11.116 3.880 ( 8.540 0.000 3.692) 9.304 3.919 ( -0.551 0.000 -1.686) 1.774 4.019 ( 13.299 0.000 -12.238) 18.073 4.308 ( 2.894 0.000 -5.446) 6.167 4.318 ( -5.586 0.000 -0.431) 5.603 4.515 ( 12.530 0.000 -8.671) 15.238 4.648 ( -1.464 0.000 -13.456) 13.535 4.956 ( 3.494 0.000 0.489) 3.528 5.003 ( -13.427 0.000 -20.507) 24.512 5.071 ( -7.302 0.000 3.232) 7.985 5.319 ( 0.736 0.000 -11.030) 11.055 5.427 ( 1.725 0.000 -9.227) 9.387 5.562 ( -2.667 0.000 3.204) 4.169 5.579 ( -2.264 0.000 -5.270) 5.735 5.638 ( -0.582 0.000 3.472) 3.520 5.782 ( -7.512 0.000 6.456) 9.905 5.965 ( -5.646 0.000 -6.622) 8.702 6.034 ( -16.022 0.000 -0.368) 16.027 6.102 ( -14.285 0.000 -18.538) 23.403 6.208 ( 5.705 0.000 -15.328) 16.355 6.556 ( -3.730 0.000 -13.728) 14.226 6.905 ( -4.601 0.000 -1.754) 4.924 7.036 ( -1.495 0.000 9.029) 9.152 7.868 ( 32.319 0.000 35.297) 47.858 8.873 ( -13.637 0.000 23.023) 26.759 8.884 ( 29.731 0.000 28.332) 41.069 9.308 ( 10.689 0.000 6.932) 12.740 9.776 ( -14.121 0.000 -8.180) 16.319 9.984 ( -12.586 0.000 30.235) 32.750 10.273 ( 4.518 0.000 -4.575) 6.430 10.465 ( -4.873 0.000 -4.840) 6.868 10.774 ( 11.011 0.000 2.569) 11.307 10.802 ( 7.185 0.000 4.999) 8.752 11.029 ( -2.953 0.000 1.292) 3.223 11.088 ( -4.122 0.000 2.226) 4.685 11.218 ( 0.433 0.000 0.447) 0.622 11.243 ( -0.814 0.000 0.711) 1.081 12.838 ( 4.969 0.000 -18.567) 19.220 12.964 ( 4.202 0.000 -3.664) 5.575 13.118 ( -3.852 0.000 -7.978) 8.859 13.340 ( -16.070 0.000 -20.756) 26.250 ======================= Grid point 130 (45/100) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -9.347 0.000 -1.383) 9.449 1.795 ( 9.347 0.000 -1.383) 9.449 1.887 ( -9.094 0.000 -7.068) 11.517 1.887 ( 9.094 0.000 -7.068) 11.517 1.933 ( -10.352 0.000 -11.650) 15.585 1.933 ( 10.352 0.000 -11.650) 15.585 2.311 ( -1.838 0.000 9.467) 9.644 2.311 ( 1.838 0.000 9.467) 9.644 2.703 ( -8.060 0.000 8.401) 11.642 2.703 ( 8.060 0.000 8.401) 11.642 3.056 ( -11.629 0.000 6.503) 13.324 3.056 ( 11.629 0.000 6.503) 13.324 3.087 ( -9.158 0.000 10.717) 14.097 3.087 ( 9.158 0.000 10.717) 14.097 3.335 ( -4.232 0.000 -8.157) 9.189 3.335 ( 4.232 0.000 -8.157) 9.189 3.377 ( -5.485 0.000 0.977) 5.572 3.377 ( 5.485 0.000 0.977) 5.572 3.814 ( -8.816 0.000 -2.389) 9.134 3.814 ( 8.816 0.000 -2.389) 9.134 4.128 ( -12.740 0.000 -1.530) 12.832 4.128 ( 12.740 0.000 -1.530) 12.832 4.275 ( -8.503 0.000 -11.073) 13.961 4.275 ( 8.503 0.000 -11.073) 13.961 4.719 ( -10.795 0.000 -21.886) 24.403 4.719 ( 10.795 0.000 -21.886) 24.403 4.794 ( -13.810 0.000 -3.877) 14.344 4.794 ( 13.810 0.000 -3.877) 14.344 5.173 ( -12.122 0.000 -6.094) 13.568 5.173 ( 12.122 0.000 -6.094) 13.568 5.529 ( -6.777 0.000 -2.377) 7.182 5.529 ( 6.777 0.000 -2.377) 7.182 5.536 ( -0.957 0.000 -4.023) 4.135 5.536 ( 0.957 0.000 -4.023) 4.135 5.794 ( -7.664 0.000 3.298) 8.343 5.794 ( 7.664 0.000 3.298) 8.343 5.944 ( -3.498 0.000 -6.987) 7.814 5.944 ( 3.498 0.000 -6.987) 7.814 6.376 ( -9.995 0.000 -20.726) 23.010 6.376 ( 9.995 0.000 -20.726) 23.010 6.965 ( -5.210 0.000 11.464) 12.592 6.965 ( 5.210 0.000 11.464) 12.592 8.463 ( -25.954 0.000 32.103) 41.282 8.463 ( 25.954 0.000 32.103) 41.282 9.404 ( -17.571 0.000 10.122) 20.278 9.404 ( 17.571 0.000 10.122) 20.278 9.640 ( -15.679 0.000 21.506) 26.615 9.640 ( 15.679 0.000 21.506) 26.615 10.370 ( -4.752 0.000 -4.997) 6.896 10.370 ( 4.752 0.000 -4.997) 6.896 10.937 ( -5.924 0.000 3.478) 6.869 10.937 ( 5.924 0.000 3.478) 6.869 10.967 ( -7.899 0.000 3.527) 8.651 10.967 ( 7.899 0.000 3.527) 8.651 11.228 ( -0.610 0.000 0.586) 0.846 11.228 ( 0.610 0.000 0.586) 0.846 13.033 ( -13.533 0.000 -23.679) 27.273 13.033 ( 13.533 0.000 -23.679) 27.273 13.043 ( -3.727 0.000 -8.385) 9.176 13.043 ( 3.727 0.000 -8.385) 9.176 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 0.000 12.014 15.846) 19.885 1.324 ( 0.000 7.361 20.205) 21.504 1.933 ( 0.000 6.925 10.734) 12.773 2.092 ( 0.000 -5.733 -2.838) 6.397 2.154 ( 0.000 -3.173 1.336) 3.443 2.250 ( 0.000 -9.345 -0.385) 9.353 2.282 ( 0.000 10.281 24.813) 26.858 2.439 ( 0.000 -4.210 -15.858) 16.407 2.498 ( 0.000 -3.215 -3.377) 4.662 2.593 ( 0.000 4.263 2.420) 4.902 2.740 ( 0.000 2.347 1.227) 2.649 2.774 ( 0.000 -1.326 -5.797) 5.947 2.908 ( 0.000 4.870 0.137) 4.872 2.958 ( 0.000 9.361 1.503) 9.481 3.244 ( 0.000 8.443 0.837) 8.485 3.290 ( 0.000 -2.663 -4.180) 4.956 3.404 ( 0.000 -2.176 -8.357) 8.636 3.551 ( 0.000 -5.534 -6.820) 8.783 3.629 ( 0.000 -3.005 -4.874) 5.726 3.683 ( 0.000 -8.154 -0.729) 8.186 3.908 ( 0.000 -3.452 3.126) 4.657 3.930 ( 0.000 3.926 -4.553) 6.012 4.189 ( 0.000 -6.257 -2.116) 6.605 4.226 ( 0.000 27.595 4.030) 27.888 4.653 ( 0.000 8.063 12.531) 14.901 4.678 ( 0.000 9.671 -2.916) 10.101 4.957 ( 0.000 3.626 9.701) 10.356 5.082 ( 0.000 -0.601 15.789) 15.800 5.276 ( 0.000 -3.156 -4.659) 5.628 5.464 ( 0.000 -2.658 7.087) 7.569 5.480 ( 0.000 4.540 5.124) 6.846 5.660 ( 0.000 -11.066 9.001) 14.264 5.706 ( 0.000 1.855 2.217) 2.891 5.713 ( 0.000 5.084 7.586) 9.132 5.899 ( 0.000 18.312 -2.913) 18.543 6.039 ( 0.000 -2.100 4.339) 4.821 6.289 ( 0.000 -2.779 2.702) 3.877 6.326 ( 0.000 14.613 16.716) 22.203 6.390 ( 0.000 -3.148 -2.582) 4.071 6.731 ( 0.000 3.260 -0.432) 3.288 6.826 ( 0.000 -3.043 -12.355) 12.724 7.513 ( 0.000 -10.745 13.715) 17.423 7.961 ( 0.000 4.991 -27.323) 27.775 8.325 ( 0.000 10.617 -18.778) 21.572 8.506 ( 0.000 -4.648 -17.294) 17.908 8.851 ( 0.000 -24.738 4.994) 25.237 9.110 ( 0.000 -6.473 -8.121) 10.385 9.921 ( 0.000 -32.779 -12.890) 35.222 10.442 ( 0.000 7.193 4.887) 8.695 10.443 ( 0.000 0.336 9.822) 9.828 10.501 ( 0.000 1.471 9.091) 9.209 10.883 ( 0.000 4.561 -7.850) 9.079 10.943 ( 0.000 0.355 -2.640) 2.664 11.007 ( 0.000 0.134 -2.925) 2.929 11.154 ( 0.000 -5.028 0.669) 5.072 11.202 ( 0.000 -4.877 -0.122) 4.878 12.951 ( 0.000 16.480 11.973) 20.371 13.052 ( 0.000 4.052 10.522) 11.275 13.297 ( 0.000 0.118 3.111) 3.114 13.991 ( 0.000 -2.308 -8.129) 8.451 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.12 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 6.020 10.685 16.439) 20.510 1.369 ( 5.033 11.672 15.560) 20.092 1.988 ( 3.696 2.850 8.316) 9.536 2.103 ( 2.935 -6.462 1.936) 7.357 2.201 ( 1.296 -3.875 -4.544) 6.111 2.225 ( -3.326 -7.408 -4.758) 9.412 2.332 ( -1.891 -1.933 13.428) 13.698 2.421 ( -2.330 1.363 -9.110) 9.502 2.437 ( 3.676 6.868 -0.263) 7.795 2.620 ( -2.497 -2.093 -0.809) 3.357 2.674 ( 3.045 0.214 -3.097) 4.349 2.797 ( 0.072 10.699 -1.220) 10.769 2.867 ( 1.049 -0.310 -0.169) 1.107 3.058 ( 4.278 1.336 12.063) 12.868 3.128 ( -8.869 -0.991 -2.032) 9.153 3.329 ( 2.969 2.303 -5.963) 7.048 3.431 ( 6.862 3.057 -5.589) 9.363 3.512 ( -7.732 -6.169 -3.269) 10.418 3.606 ( -3.336 -10.681 0.022) 11.190 3.734 ( 9.013 -0.939 0.558) 9.079 3.920 ( -0.626 6.003 -3.170) 6.817 4.046 ( 5.757 1.791 -3.214) 6.832 4.213 ( 1.290 -3.163 -2.141) 4.032 4.278 ( 5.122 22.824 0.832) 23.406 4.517 ( -4.505 10.460 2.525) 11.666 4.760 ( 0.181 3.471 5.386) 6.410 4.904 ( -1.887 1.568 6.938) 7.359 5.080 ( -1.778 0.481 10.786) 10.942 5.236 ( -0.309 -1.596 -1.626) 2.299 5.389 ( -4.545 2.842 -2.424) 5.882 5.565 ( 6.739 -4.695 2.993) 8.741 5.628 ( -2.859 -0.461 4.839) 5.639 5.692 ( -2.759 3.298 6.797) 8.042 5.746 ( -1.607 4.034 0.609) 4.384 5.861 ( -2.329 15.356 -4.543) 16.182 6.091 ( 7.419 -4.057 11.215) 14.045 6.242 ( -4.250 -2.527 0.108) 4.946 6.334 ( -0.011 8.226 1.621) 8.385 6.534 ( 3.584 -1.259 -0.507) 3.833 6.756 ( 7.172 5.427 7.793) 11.901 6.868 ( 6.869 -2.531 2.192) 7.641 7.301 ( -27.811 -1.656 -21.352) 35.101 7.732 ( -5.309 -0.067 -5.765) 7.837 8.081 ( -19.530 -2.578 -7.652) 21.133 8.734 ( 20.085 2.338 -10.225) 22.659 8.828 ( 2.470 -20.380 8.714) 22.302 9.537 ( 24.787 -8.616 -3.913) 26.532 9.873 ( -4.023 -30.235 -12.605) 33.003 10.342 ( -4.230 5.392 5.678) 8.899 10.499 ( 1.454 -0.726 9.456) 9.595 10.568 ( 5.667 4.166 6.840) 9.811 10.781 ( -6.566 4.451 -6.395) 10.189 11.001 ( 3.033 -0.885 -2.869) 4.268 11.071 ( 4.235 -0.017 -3.127) 5.264 11.154 ( 0.049 -5.120 0.636) 5.159 11.202 ( -0.122 -4.791 0.141) 4.795 12.967 ( 1.410 15.068 9.067) 17.642 12.998 ( -4.823 4.723 6.632) 9.464 13.269 ( -2.610 0.102 1.155) 2.856 13.896 ( -8.840 -1.277 -9.602) 13.114 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 6.530 10.445 10.363) 16.097 1.550 ( 11.614 10.108 6.986) 16.907 1.964 ( -5.805 0.060 -0.455) 5.823 2.092 ( -7.685 -2.005 -5.972) 9.937 2.145 ( -2.169 -7.480 -1.386) 7.911 2.229 ( 5.052 -4.890 3.358) 7.792 2.312 ( -3.132 1.026 -2.102) 3.909 2.418 ( 4.883 3.589 3.198) 6.852 2.531 ( -2.455 0.485 1.416) 2.875 2.610 ( 4.982 -7.743 -1.473) 9.324 2.619 ( -5.424 3.150 -9.691) 11.544 2.905 ( 2.756 -6.547 4.574) 8.448 2.957 ( 9.787 5.594 7.097) 13.321 3.060 ( 4.056 -3.159 -1.284) 5.299 3.199 ( 9.739 4.724 6.120) 12.434 3.292 ( -7.452 -6.360 -6.085) 11.533 3.355 ( 0.872 -2.658 -6.818) 7.369 3.539 ( -1.988 -7.148 3.840) 8.354 3.691 ( 10.186 2.308 3.331) 10.963 3.880 ( 4.556 1.553 2.406) 5.381 3.899 ( -3.138 11.900 -3.644) 12.835 4.015 ( -2.534 11.652 0.363) 11.929 4.262 ( 3.794 -0.795 -3.523) 5.238 4.403 ( 6.259 13.146 -4.550) 15.255 4.485 ( -0.420 11.194 -1.921) 11.365 4.739 ( -0.256 1.703 -2.201) 2.795 4.907 ( 1.235 0.705 3.245) 3.543 5.045 ( -1.456 -4.389 2.061) 5.062 5.263 ( 1.782 5.219 -5.002) 7.446 5.335 ( -1.741 2.156 -9.150) 9.560 5.515 ( -7.650 2.520 2.007) 8.301 5.649 ( 0.079 0.012 0.399) 0.407 5.675 ( 1.800 2.204 -1.863) 3.401 5.689 ( -2.305 7.093 6.059) 9.609 5.808 ( -3.439 6.082 -2.145) 7.309 6.124 ( -7.152 -1.720 -0.653) 7.385 6.189 ( -1.234 4.566 -4.185) 6.315 6.347 ( -8.496 -3.833 2.153) 9.566 6.424 ( 2.598 0.894 -5.634) 6.269 6.678 ( -26.327 8.407 -26.971) 38.616 6.895 ( 2.988 -9.436 9.289) 13.574 7.198 ( -10.076 -2.304 -12.487) 16.210 7.367 ( 11.352 7.289 14.322) 19.675 8.266 ( 23.831 -5.047 24.387) 34.469 8.868 ( 4.926 -25.720 9.722) 27.934 9.052 ( 6.676 8.317 5.626) 12.058 9.688 ( -8.268 -30.282 -7.785) 32.341 9.964 ( 8.624 -7.014 10.548) 15.324 10.299 ( 0.539 6.253 0.404) 6.289 10.564 ( 6.337 -1.137 5.226) 8.292 10.652 ( -5.900 5.303 -5.497) 9.651 10.689 ( 6.282 3.036 5.936) 9.161 11.040 ( 0.634 -1.730 -1.302) 2.256 11.124 ( 0.423 -0.444 -0.767) 0.982 11.157 ( 0.254 -5.199 0.362) 5.218 11.193 ( -0.758 -5.198 0.727) 5.303 12.896 ( -3.796 5.433 -4.619) 8.078 13.006 ( 2.159 12.093 2.307) 12.499 13.203 ( -3.600 0.349 -3.666) 5.150 13.664 ( -13.652 0.493 -14.155) 19.672 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.38 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 8.834 4.573 1.877) 10.123 1.734 ( 4.151 1.626 0.864) 4.541 1.917 ( -2.848 -0.161 -4.811) 5.593 1.945 ( -0.769 3.485 -6.718) 7.607 2.030 ( -7.432 0.100 -5.480) 9.235 2.224 ( 0.201 0.978 2.753) 2.928 2.376 ( -1.825 -0.546 4.298) 4.702 2.406 ( -6.670 6.817 -2.331) 9.818 2.444 ( 2.493 -1.635 3.725) 4.771 2.561 ( -0.740 -10.311 3.680) 10.973 2.773 ( 7.290 -7.952 4.802) 11.809 2.895 ( 0.598 -13.707 3.422) 14.140 3.138 ( 0.405 -8.870 -3.768) 9.645 3.173 ( 9.973 4.683 0.632) 11.036 3.223 ( -1.456 2.557 2.939) 4.159 3.326 ( 1.261 -2.995 1.390) 3.535 3.422 ( 2.847 -1.984 -7.342) 8.121 3.604 ( 12.096 5.818 4.699) 14.221 3.718 ( -10.811 14.950 1.784) 18.535 3.853 ( 4.834 -3.142 1.607) 5.985 3.927 ( 2.800 5.402 1.393) 6.242 4.139 ( 12.556 8.529 -13.450) 20.281 4.362 ( -1.619 6.035 1.821) 6.508 4.419 ( 2.121 5.441 -8.580) 10.379 4.583 ( 8.459 11.853 -8.301) 16.762 4.749 ( 1.509 6.318 -7.034) 9.574 4.911 ( -5.525 -2.806 -11.133) 12.741 5.015 ( 2.361 1.194 -1.051) 2.847 5.169 ( -11.972 7.175 -4.574) 14.688 5.343 ( 0.560 1.242 -12.516) 12.590 5.395 ( -3.350 -1.924 -8.524) 9.358 5.609 ( -4.320 -1.234 3.880) 5.936 5.635 ( -2.986 7.279 2.021) 8.123 5.664 ( -3.820 7.993 -6.530) 11.006 5.754 ( 0.652 0.272 4.656) 4.710 5.936 ( -10.712 -2.213 -1.832) 11.090 6.051 ( -10.009 2.963 -5.621) 11.855 6.180 ( -3.086 0.847 -13.458) 13.833 6.333 ( -5.433 16.014 -12.885) 21.260 6.545 ( 0.307 -0.082 -8.737) 8.743 6.808 ( -7.417 -8.660 -4.473) 12.248 6.933 ( -2.496 -9.802 6.254) 11.892 7.950 ( 30.957 6.874 34.490) 46.852 8.764 ( 16.997 -15.417 17.188) 28.671 8.943 ( 0.080 2.396 27.632) 27.736 9.113 ( 9.201 -10.966 12.655) 19.107 9.476 ( -11.793 -27.470 -6.617) 30.618 9.912 ( -12.900 -6.769 29.717) 33.096 10.357 ( 4.468 6.742 -4.274) 9.148 10.545 ( -4.846 6.042 -4.961) 9.198 10.754 ( 10.599 -1.886 1.979) 10.946 10.823 ( 6.940 1.908 4.922) 8.720 11.021 ( -2.690 -1.264 0.911) 3.108 11.084 ( -4.164 -0.500 2.297) 4.782 11.163 ( 0.295 -5.173 0.200) 5.185 11.179 ( -0.592 -5.593 0.482) 5.645 12.897 ( 4.619 5.540 -17.096) 18.556 13.048 ( 2.003 7.931 -5.028) 9.602 13.136 ( -2.896 1.534 -8.296) 8.920 13.368 ( -15.229 2.279 -19.549) 24.885 ======================= Grid point 139 (50/100) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -7.238 -2.197 -1.743) 7.762 1.752 ( 7.238 -2.197 -1.743) 7.762 1.830 ( -5.282 -0.840 -3.927) 6.635 1.830 ( 5.282 -0.840 -3.927) 6.635 2.146 ( -8.895 13.183 -10.808) 19.228 2.146 ( 8.895 13.183 -10.808) 19.228 2.333 ( -1.497 1.552 7.949) 8.236 2.333 ( 1.497 1.552 7.949) 8.236 2.509 ( -3.512 -12.894 6.763) 14.977 2.509 ( 3.512 -12.894 6.763) 14.977 2.899 ( -3.915 -12.131 4.576) 13.544 2.899 ( 3.915 -12.131 4.576) 13.544 3.138 ( -2.258 -3.893 0.927) 4.595 3.138 ( 2.258 -3.893 0.927) 4.595 3.341 ( -4.499 3.288 1.412) 5.749 3.341 ( 4.499 3.288 1.412) 5.749 3.499 ( -8.365 9.887 -0.675) 12.969 3.499 ( 8.365 9.887 -0.675) 12.969 3.819 ( -5.831 1.068 0.487) 5.948 3.819 ( 5.831 1.068 0.487) 5.948 4.146 ( -14.582 3.673 -4.128) 15.594 4.146 ( 14.582 3.673 -4.128) 15.594 4.422 ( -9.948 9.139 -13.031) 18.769 4.422 ( 9.948 9.139 -13.031) 18.769 4.710 ( -6.397 1.575 -16.951) 18.186 4.710 ( 6.397 1.575 -16.951) 18.186 4.899 ( -12.116 9.053 -4.476) 15.773 4.899 ( 12.116 9.053 -4.476) 15.773 5.182 ( -11.390 1.114 -5.677) 12.774 5.182 ( 11.390 1.114 -5.677) 12.774 5.464 ( -6.506 -3.529 -4.370) 8.595 5.464 ( 6.506 -3.529 -4.370) 8.595 5.628 ( -0.940 6.869 -3.678) 7.848 5.628 ( 0.940 6.869 -3.678) 7.848 5.771 ( -2.710 0.213 4.372) 5.148 5.771 ( 2.710 0.213 4.372) 5.148 6.054 ( -6.031 7.692 -6.275) 11.616 6.054 ( 6.031 7.692 -6.275) 11.616 6.406 ( -8.239 5.006 -19.188) 21.474 6.406 ( 8.239 5.006 -19.188) 21.474 6.853 ( -5.440 -10.716 10.768) 16.137 6.853 ( 5.440 -10.716 10.768) 16.137 8.520 ( -24.477 3.462 31.131) 39.753 8.520 ( 24.477 3.462 31.131) 39.753 9.197 ( -13.030 -20.955 -0.296) 24.677 9.197 ( 13.030 -20.955 -0.296) 24.677 9.524 ( -22.939 -8.161 32.747) 40.807 9.524 ( 22.939 -8.161 32.747) 40.807 10.451 ( -4.633 6.595 -4.936) 9.451 10.451 ( 4.633 6.595 -4.936) 9.451 10.930 ( -6.349 -1.379 2.678) 7.028 10.930 ( 6.349 -1.379 2.678) 7.028 10.967 ( -7.039 0.340 3.694) 7.956 10.967 ( 7.039 0.340 3.694) 7.956 11.169 ( -0.381 -5.412 0.233) 5.430 11.169 ( 0.381 -5.412 0.233) 5.430 13.075 ( -10.095 4.016 -19.551) 22.367 13.075 ( 10.095 4.016 -19.551) 22.367 13.091 ( -2.593 4.263 -11.680) 12.701 13.091 ( 2.593 4.263 -11.680) 12.701 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 0.000 11.047 6.158) 12.647 1.503 ( 0.000 10.356 11.047) 15.142 1.941 ( 0.000 -9.484 -5.222) 10.827 1.944 ( 0.000 -3.262 7.919) 8.565 2.035 ( 0.000 -7.252 -0.767) 7.293 2.102 ( 0.000 -6.348 6.869) 9.353 2.345 ( 0.000 -3.510 -6.147) 7.079 2.427 ( 0.000 -3.274 6.840) 7.583 2.566 ( 0.000 7.786 -6.945) 10.433 2.616 ( 0.000 0.158 -9.469) 9.471 2.855 ( 0.000 12.826 4.397) 13.559 2.857 ( 0.000 8.844 6.615) 11.044 3.031 ( 0.000 6.218 1.138) 6.321 3.124 ( 0.000 3.893 12.459) 13.053 3.229 ( 0.000 -1.262 -8.535) 8.628 3.331 ( 0.000 -4.128 -6.655) 7.832 3.440 ( 0.000 8.406 -1.725) 8.581 3.448 ( 0.000 -4.331 0.147) 4.334 3.551 ( 0.000 -4.021 -6.605) 7.733 3.565 ( 0.000 -1.846 -8.855) 9.046 3.838 ( 0.000 -4.097 4.580) 6.145 3.865 ( 0.000 -7.356 -4.075) 8.410 4.254 ( 0.000 8.414 6.601) 10.694 4.565 ( 0.000 0.158 14.154) 14.155 4.838 ( 0.000 8.277 0.717) 8.308 4.866 ( 0.000 11.577 3.438) 12.076 5.053 ( 0.000 4.299 5.221) 6.763 5.175 ( 0.000 -6.923 0.137) 6.925 5.223 ( 0.000 16.296 5.445) 17.182 5.389 ( 0.000 -4.036 6.777) 7.888 5.520 ( 0.000 -1.620 4.122) 4.428 5.571 ( 0.000 4.376 4.837) 6.523 5.723 ( 0.000 1.365 0.740) 1.552 5.814 ( 0.000 2.185 12.275) 12.468 6.041 ( 0.000 5.941 1.176) 6.056 6.258 ( 0.000 2.096 6.084) 6.435 6.274 ( 0.000 5.544 2.625) 6.134 6.319 ( 0.000 6.483 -9.344) 11.372 6.604 ( 0.000 12.398 9.417) 15.569 6.764 ( 0.000 -0.949 -3.961) 4.073 6.780 ( 0.000 -1.152 6.921) 7.016 7.351 ( 0.000 -6.140 4.166) 7.420 8.083 ( 0.000 7.101 -27.227) 28.138 8.205 ( 0.000 -23.988 11.953) 26.801 8.407 ( 0.000 -4.846 -25.329) 25.788 8.638 ( 0.000 9.785 -13.423) 16.612 8.876 ( 0.000 -21.748 -4.249) 22.159 9.252 ( 0.000 -30.041 -13.032) 32.746 10.452 ( 0.000 0.560 9.812) 9.828 10.475 ( 0.000 -0.445 9.581) 9.592 10.650 ( 0.000 10.193 3.372) 10.737 10.939 ( 0.000 1.307 -4.972) 5.141 10.951 ( 0.000 0.427 -2.969) 3.000 11.012 ( 0.000 -1.682 -2.131) 2.715 11.028 ( 0.000 -5.369 -0.106) 5.370 11.112 ( 0.000 -4.079 -1.156) 4.240 13.145 ( 0.000 5.325 8.826) 10.308 13.287 ( 0.000 -1.409 4.747) 4.951 13.315 ( 0.000 19.460 5.236) 20.152 13.888 ( 0.000 -8.760 -5.482) 10.334 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.12 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 7.516 11.159 5.851) 14.671 1.575 ( 5.825 11.872 9.146) 16.079 1.946 ( 0.822 -8.830 -4.803) 10.085 2.012 ( 5.360 -2.544 8.192) 10.115 2.059 ( -0.000 -6.729 -2.157) 7.066 2.127 ( 3.681 -6.071 4.173) 8.235 2.257 ( -5.049 -1.902 1.292) 5.548 2.416 ( -1.551 -3.926 2.375) 4.844 2.522 ( -6.719 2.227 -9.445) 11.803 2.639 ( -0.052 -3.197 -7.620) 8.263 2.769 ( -3.702 12.687 -1.315) 13.281 2.891 ( 2.371 7.532 7.184) 10.675 3.009 ( -1.756 9.763 -2.705) 10.282 3.089 ( -7.212 -3.197 1.964) 8.129 3.158 ( 1.682 4.502 6.078) 7.749 3.251 ( -2.375 -5.929 -5.714) 8.570 3.348 ( -8.606 -8.191 -3.565) 12.404 3.392 ( -3.584 -9.373 -2.114) 10.255 3.625 ( 10.971 10.211 -1.093) 15.028 3.779 ( 11.484 5.963 2.077) 13.105 3.939 ( 5.462 -4.352 -4.906) 8.535 4.028 ( 12.421 -2.340 -3.740) 13.181 4.233 ( -1.837 7.072 5.051) 8.883 4.603 ( 3.929 -1.007 12.945) 13.566 4.782 ( -4.475 10.165 -0.686) 11.127 4.893 ( 1.879 8.052 4.620) 9.471 4.945 ( -7.964 11.464 6.858) 15.552 5.060 ( -7.524 -2.835 0.850) 8.086 5.257 ( 3.100 2.660 1.850) 4.484 5.422 ( -2.740 0.808 -3.663) 4.645 5.464 ( 4.002 -2.532 2.343) 5.284 5.635 ( 0.807 -0.840 4.116) 4.277 5.770 ( 2.264 6.186 0.784) 6.634 5.840 ( 0.333 2.889 7.914) 8.431 6.023 ( -1.128 6.038 2.196) 6.523 6.212 ( -4.024 3.245 4.555) 6.890 6.257 ( 0.215 13.521 -4.181) 14.155 6.332 ( 1.477 -3.127 -1.892) 3.942 6.669 ( -5.193 -8.204 -4.340) 10.635 6.753 ( 8.100 18.849 8.797) 22.322 6.972 ( 16.114 7.459 14.832) 23.136 7.229 ( -14.567 -5.851 -9.587) 18.394 7.734 ( -22.308 -0.924 -20.437) 30.268 8.018 ( -18.901 -8.463 -12.692) 24.289 8.233 ( 3.336 -21.823 12.505) 25.372 8.940 ( 17.887 3.415 -8.156) 19.953 9.090 ( 4.509 -29.771 -5.135) 30.545 9.448 ( 20.369 -12.442 -8.561) 25.358 10.420 ( -2.097 2.726 7.540) 8.287 10.482 ( 0.842 -1.037 9.151) 9.248 10.690 ( 3.412 8.062 4.092) 9.664 10.847 ( -5.440 2.773 -4.765) 7.746 10.962 ( -0.053 -2.984 -2.412) 3.837 11.024 ( 0.213 -7.958 1.129) 8.040 11.076 ( 3.282 0.531 -2.686) 4.274 11.126 ( 0.897 -2.691 -0.880) 2.970 13.102 ( -3.906 5.868 5.396) 8.877 13.258 ( -2.688 -1.543 2.438) 3.944 13.304 ( -1.087 18.013 3.031) 18.298 13.819 ( -6.600 -7.226 -7.176) 12.135 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 3.553 14.129 7.022) 16.173 1.698 ( 7.688 8.127 3.086) 11.605 1.941 ( -3.017 -4.302 -7.718) 9.337 2.017 ( -1.460 -4.551 0.124) 4.781 2.105 ( -2.423 1.429 3.034) 4.137 2.130 ( 4.131 -2.426 6.848) 8.357 2.316 ( -1.505 -7.954 7.531) 11.057 2.331 ( 1.883 -2.584 -8.028) 8.642 2.448 ( 1.921 -7.829 1.541) 8.207 2.566 ( -5.574 -8.089 -7.045) 12.089 2.679 ( -4.956 7.802 -4.568) 10.310 2.854 ( -8.571 3.234 -7.972) 12.144 3.004 ( 1.516 -0.641 1.234) 2.057 3.086 ( 9.672 7.525 6.187) 13.728 3.183 ( -0.762 -3.211 -2.259) 4.000 3.242 ( 0.484 -3.332 -2.381) 4.124 3.288 ( 2.705 -3.638 -0.689) 4.586 3.423 ( 7.288 -4.193 2.030) 8.650 3.793 ( 5.458 6.041 0.114) 8.143 3.932 ( 2.759 1.823 -1.197) 3.517 4.035 ( 3.432 4.765 -1.667) 6.104 4.187 ( -1.775 2.812 -2.708) 4.288 4.270 ( 12.300 7.866 1.513) 14.678 4.691 ( -4.371 9.827 -3.569) 11.332 4.715 ( 5.973 0.093 7.310) 9.441 4.832 ( -1.296 11.240 1.645) 11.434 4.936 ( -0.723 5.345 -3.418) 6.385 4.961 ( 0.490 -2.476 3.757) 4.526 5.280 ( -1.102 -2.808 -9.836) 10.288 5.385 ( -2.989 1.297 -3.358) 4.679 5.515 ( 0.331 -0.003 4.489) 4.501 5.684 ( 1.783 2.429 -0.023) 3.013 5.743 ( 0.690 6.171 -0.994) 6.289 5.830 ( -1.273 4.169 4.231) 6.075 5.961 ( -5.848 4.965 -3.897) 8.605 6.101 ( -6.929 2.948 -0.691) 7.561 6.249 ( -5.967 -2.431 -5.772) 8.650 6.369 ( 2.023 14.695 2.413) 15.029 6.521 ( -9.011 -1.295 -6.962) 11.461 6.755 ( -9.175 1.686 -3.816) 10.079 6.920 ( -5.096 19.400 -6.428) 21.063 7.140 ( -23.774 -2.340 -25.407) 34.874 7.490 ( 23.453 3.343 26.687) 35.685 7.991 ( 8.764 -30.527 6.241) 32.368 8.398 ( 14.774 -12.455 21.051) 28.575 8.986 ( -5.249 -36.258 -4.494) 36.911 9.282 ( 6.569 11.780 6.973) 15.183 9.785 ( 8.721 -11.405 10.268) 17.651 10.408 ( 1.720 4.840 1.352) 5.312 10.534 ( 5.330 -2.060 4.398) 7.211 10.744 ( -4.560 4.534 -4.433) 7.811 10.771 ( 4.468 5.364 4.492) 8.301 10.959 ( -0.361 -6.303 -1.587) 6.510 11.031 ( 0.462 -7.223 0.998) 7.306 11.116 ( 0.499 -0.449 -0.755) 1.010 11.128 ( -1.033 -1.251 0.430) 1.678 13.021 ( -3.021 6.873 -3.878) 8.450 13.196 ( -2.998 -1.483 -3.400) 4.769 13.271 ( -2.180 14.071 -2.410) 14.441 13.638 ( -10.950 -3.816 -11.547) 16.365 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.38 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 0.442 8.771 4.997) 10.104 1.782 ( 1.636 4.460 -0.791) 4.816 1.871 ( -4.348 -1.564 -0.638) 4.664 1.943 ( -5.302 -0.698 -4.705) 7.123 2.133 ( 4.521 2.597 -1.494) 5.424 2.199 ( 3.667 -3.487 9.247) 10.541 2.266 ( -0.066 -6.249 4.085) 7.466 2.349 ( -0.031 -4.308 1.225) 4.478 2.451 ( -6.108 -11.383 -1.308) 12.984 2.551 ( -3.266 3.666 -4.830) 6.887 2.609 ( 4.328 -6.484 -3.285) 8.459 2.712 ( -3.676 0.916 -6.975) 7.937 3.036 ( 2.086 0.125 0.039) 2.090 3.204 ( -3.332 1.144 5.381) 6.431 3.240 ( 4.802 -3.602 0.533) 6.026 3.317 ( 6.240 0.740 3.616) 7.250 3.388 ( 10.895 1.180 -6.596) 12.791 3.631 ( 11.979 -4.824 -1.514) 13.002 3.851 ( -0.223 3.608 -0.066) 3.616 3.886 ( -6.512 3.508 0.066) 7.397 4.090 ( 4.311 8.216 -5.111) 10.592 4.241 ( 8.453 0.959 -15.458) 17.645 4.519 ( 9.230 9.561 5.274) 14.297 4.553 ( -9.439 8.883 -7.221) 14.837 4.805 ( 2.936 4.778 -1.846) 5.904 4.861 ( -4.732 0.072 -14.890) 15.624 4.900 ( 5.371 7.489 -1.810) 9.392 5.058 ( 6.544 3.735 2.176) 7.843 5.214 ( -5.629 -4.532 -9.568) 11.991 5.278 ( -4.048 -3.537 -3.962) 6.678 5.444 ( -8.504 5.333 -3.683) 10.692 5.644 ( -6.933 2.839 -3.934) 8.462 5.769 ( -2.120 2.150 1.798) 3.514 5.825 ( 1.108 4.436 -0.573) 4.608 5.851 ( -2.334 10.518 -7.265) 12.995 5.959 ( -5.994 8.382 2.647) 10.639 6.085 ( -4.866 -0.864 -3.556) 6.088 6.223 ( -6.574 4.926 -15.676) 17.698 6.548 ( 0.609 -8.313 4.628) 9.534 6.607 ( -2.942 1.825 4.295) 5.517 6.747 ( -10.079 5.634 -21.397) 24.313 6.862 ( -3.673 26.228 -0.737) 26.494 8.011 ( 23.161 -7.007 27.457) 36.598 8.180 ( 8.908 -40.416 3.023) 41.496 8.823 ( 24.285 -8.434 30.191) 39.653 8.880 ( -2.188 -25.224 3.098) 25.508 9.236 ( -10.022 12.242 21.631) 26.800 9.738 ( -12.421 -11.203 27.786) 32.432 10.487 ( 5.166 6.567 -3.910) 9.225 10.659 ( -3.058 5.610 -4.104) 7.594 10.701 ( 8.840 -3.328 -0.056) 9.445 10.870 ( 5.387 2.977 4.269) 7.490 10.940 ( -1.889 -7.249 -0.790) 7.533 11.042 ( 0.573 -5.644 0.924) 5.748 11.081 ( -3.478 -0.684 2.039) 4.089 11.101 ( -1.677 -1.700 0.910) 2.555 13.020 ( 3.520 6.512 -14.100) 15.925 13.156 ( -0.693 -0.003 -9.350) 9.376 13.220 ( -2.789 8.769 -8.282) 12.380 13.397 ( -12.445 0.087 -16.411) 20.596 ======================= Grid point 148 (55/100) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -4.330 2.746 2.075) 5.531 1.754 ( 4.330 2.746 2.075) 5.531 1.844 ( -3.905 1.688 -1.699) 4.581 1.844 ( 3.905 1.688 -1.699) 4.581 2.236 ( -1.925 -6.400 3.530) 7.558 2.236 ( 1.925 -6.400 3.530) 7.558 2.300 ( -6.041 -6.734 2.981) 9.525 2.300 ( 6.041 -6.734 2.981) 9.525 2.424 ( -6.626 6.791 -4.551) 10.523 2.424 ( 6.626 6.791 -4.551) 10.523 2.686 ( -1.332 -7.537 -4.175) 8.718 2.686 ( 1.332 -7.537 -4.175) 8.718 3.108 ( -5.004 2.196 3.974) 6.757 3.108 ( 5.004 2.196 3.974) 6.757 3.326 ( -3.020 -4.095 1.076) 5.201 3.326 ( 3.020 -4.095 1.076) 5.201 3.666 ( -13.125 6.496 -2.422) 14.843 3.666 ( 13.125 6.496 -2.422) 14.843 3.821 ( -5.146 -1.595 0.412) 5.403 3.821 ( 5.146 -1.595 0.412) 5.403 4.280 ( -14.218 8.534 -9.775) 19.249 4.280 ( 14.218 8.534 -9.775) 19.249 4.487 ( -13.119 -1.430 -17.391) 21.831 4.487 ( 13.119 -1.430 -17.391) 21.831 4.821 ( -1.865 8.746 -6.819) 11.246 4.821 ( 1.865 8.746 -6.819) 11.246 5.032 ( -8.247 1.887 -3.173) 9.035 5.032 ( 8.247 1.887 -3.173) 9.035 5.233 ( -10.239 4.232 -2.759) 11.418 5.233 ( 10.239 4.232 -2.759) 11.418 5.394 ( -12.752 -3.864 -4.839) 14.176 5.394 ( 12.752 -3.864 -4.839) 14.176 5.803 ( -3.376 8.841 -4.980) 10.694 5.803 ( 3.376 8.841 -4.980) 10.694 5.856 ( -3.123 9.781 3.764) 10.936 5.856 ( 3.123 9.781 3.764) 10.936 6.124 ( -4.985 0.142 -8.577) 9.922 6.124 ( 4.985 0.142 -8.577) 9.922 6.533 ( -3.365 -10.315 -0.665) 10.870 6.533 ( 3.365 -10.315 -0.665) 10.870 6.767 ( -5.550 22.988 -2.037) 23.736 6.767 ( 5.550 22.988 -2.037) 23.736 8.279 ( -2.677 -34.622 8.424) 35.732 8.279 ( 2.677 -34.622 8.424) 35.732 8.961 ( -12.555 4.121 20.883) 24.712 8.961 ( 12.555 4.121 20.883) 24.712 9.354 ( -24.001 -9.986 33.597) 42.480 9.354 ( 24.001 -9.986 33.597) 42.480 10.584 ( -4.187 7.123 -4.433) 9.376 10.584 ( 4.187 7.123 -4.433) 9.376 10.863 ( -6.038 -5.815 0.019) 8.383 10.863 ( 6.038 -5.815 0.019) 8.383 10.983 ( -5.417 1.200 3.427) 6.521 10.983 ( 5.417 1.200 3.427) 6.521 11.067 ( -1.363 -4.238 1.108) 4.587 11.067 ( 1.363 -4.238 1.108) 4.587 13.160 ( -7.727 3.976 -16.787) 18.902 13.160 ( 7.727 3.976 -16.787) 18.902 13.173 ( -2.834 3.511 -13.020) 13.780 13.173 ( 2.834 3.511 -13.020) 13.780 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 0.000 -3.711 -0.406) 3.733 1.621 ( 0.000 3.711 -0.406) 3.733 1.831 ( 0.000 -3.468 3.745) 5.104 1.831 ( 0.000 3.468 3.745) 5.104 2.002 ( 0.000 -3.202 6.004) 6.804 2.002 ( 0.000 3.202 6.004) 6.804 2.349 ( 0.000 -3.366 2.619) 4.265 2.349 ( 0.000 3.366 2.619) 4.265 2.618 ( 0.000 -0.317 -14.308) 14.311 2.618 ( 0.000 0.317 -14.308) 14.311 3.026 ( 0.000 -7.425 12.451) 14.497 3.026 ( 0.000 7.425 12.451) 14.497 3.091 ( 0.000 -3.705 -2.523) 4.482 3.091 ( 0.000 3.705 -2.523) 4.482 3.238 ( 0.000 -1.677 -1.856) 2.502 3.238 ( 0.000 1.677 -1.856) 2.502 3.454 ( 0.000 -3.215 -6.912) 7.623 3.454 ( 0.000 3.215 -6.912) 7.623 3.587 ( 0.000 -1.020 -3.030) 3.197 3.587 ( 0.000 1.020 -3.030) 3.197 3.764 ( 0.000 -0.264 1.890) 1.908 3.764 ( 0.000 0.264 1.890) 1.908 4.428 ( 0.000 -9.648 12.639) 15.901 4.428 ( 0.000 9.648 12.639) 15.901 5.008 ( 0.000 -8.487 3.133) 9.047 5.008 ( 0.000 8.487 3.133) 9.047 5.040 ( 0.000 -5.335 5.861) 7.926 5.040 ( 0.000 5.335 5.861) 7.926 5.356 ( 0.000 -0.078 0.514) 0.520 5.356 ( 0.000 0.078 0.514) 0.520 5.603 ( 0.000 -3.145 4.582) 5.558 5.603 ( 0.000 3.145 4.582) 5.558 5.770 ( 0.000 -3.740 -1.039) 3.881 5.770 ( 0.000 3.740 -1.039) 3.881 6.178 ( 0.000 -5.562 2.934) 6.288 6.178 ( 0.000 5.562 2.934) 6.288 6.476 ( 0.000 -7.555 4.419) 8.753 6.476 ( 0.000 7.555 4.419) 8.753 6.643 ( 0.000 -4.135 2.978) 5.095 6.643 ( 0.000 4.135 2.978) 5.095 7.036 ( 0.000 -24.127 8.903) 25.718 7.036 ( 0.000 24.127 8.903) 25.718 8.160 ( 0.000 -7.267 -17.393) 18.850 8.160 ( 0.000 7.267 -17.393) 18.850 8.365 ( 0.000 -12.854 -7.433) 14.848 8.365 ( 0.000 12.854 -7.433) 14.848 8.879 ( 0.000 -14.044 -13.695) 19.615 8.879 ( 0.000 14.044 -13.695) 19.615 10.463 ( 0.000 -0.637 9.753) 9.774 10.463 ( 0.000 0.637 9.753) 9.774 10.843 ( 0.000 -9.654 2.144) 9.890 10.843 ( 0.000 9.654 2.144) 9.890 10.957 ( 0.000 -0.129 -3.522) 3.524 10.957 ( 0.000 0.129 -3.522) 3.524 11.050 ( 0.000 -2.447 -2.815) 3.730 11.050 ( 0.000 2.447 -2.815) 3.730 13.237 ( 0.000 -3.888 6.810) 7.842 13.237 ( 0.000 3.888 6.810) 7.842 13.655 ( 0.000 -15.334 -0.718) 15.350 13.655 ( 0.000 15.334 -0.718) 15.350 ======================= Grid point 155 (57/100) ======================= q-point: ( 0.12 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 6.939 -6.696 -2.119) 9.873 1.705 ( 6.939 6.696 -2.119) 9.873 1.886 ( 5.362 -9.134 4.224) 11.403 1.886 ( 5.362 9.134 4.224) 11.403 2.010 ( 0.639 -2.317 5.633) 6.125 2.010 ( 0.639 2.317 5.633) 6.125 2.311 ( -3.200 -5.621 3.019) 7.138 2.311 ( -3.200 5.621 3.019) 7.138 2.575 ( -5.674 -3.177 -10.609) 12.444 2.575 ( -5.674 3.177 -10.609) 12.444 2.960 ( -6.073 -8.629 -0.592) 10.568 2.960 ( -6.073 8.629 -0.592) 10.568 3.089 ( -0.743 -7.289 4.045) 8.369 3.089 ( -0.743 7.289 4.045) 8.369 3.199 ( -0.984 -0.820 0.785) 1.502 3.199 ( -0.984 0.820 0.785) 1.502 3.249 ( -5.649 -3.172 -6.562) 9.221 3.249 ( -5.649 3.172 -6.562) 9.221 3.801 ( 6.854 -7.537 -1.883) 10.360 3.801 ( 6.854 7.537 -1.883) 10.360 3.939 ( 15.085 -6.648 -1.432) 16.547 3.939 ( 15.085 6.648 -1.432) 16.547 4.430 ( 1.064 -12.201 13.219) 18.021 4.430 ( 1.064 12.201 13.219) 18.021 4.933 ( -5.000 -5.865 4.410) 8.879 4.933 ( -5.000 5.865 4.410) 8.879 5.031 ( -2.323 -6.373 2.591) 7.261 5.031 ( -2.323 6.373 2.591) 7.261 5.345 ( -0.575 -5.781 -2.981) 6.530 5.345 ( -0.575 5.781 -2.981) 6.530 5.560 ( 0.505 -6.490 3.197) 7.252 5.560 ( 0.505 6.490 3.197) 7.252 5.852 ( 1.638 -1.234 -0.038) 2.051 5.852 ( 1.638 1.234 -0.038) 2.051 6.156 ( -1.260 -7.750 -0.481) 7.866 6.156 ( -1.260 7.750 -0.481) 7.866 6.415 ( -3.991 -10.906 -0.428) 11.621 6.415 ( -3.991 10.906 -0.428) 11.621 6.770 ( 6.980 -22.657 6.968) 24.711 6.770 ( 6.980 22.657 6.968) 24.711 7.107 ( 8.729 -8.465 11.301) 16.600 7.107 ( 8.729 8.465 11.301) 16.600 7.732 ( -28.597 -6.995 -20.754) 36.020 7.732 ( -28.597 6.995 -20.754) 36.020 8.381 ( 0.187 -26.487 -0.855) 26.501 8.381 ( 0.187 26.487 -0.855) 26.501 9.214 ( 21.926 -12.480 -7.778) 26.401 9.214 ( 21.926 12.480 -7.778) 26.401 10.458 ( -0.184 -1.492 8.610) 8.741 10.458 ( -0.184 1.492 8.610) 8.741 10.853 ( 0.891 -7.978 1.838) 8.235 10.853 ( 0.891 7.978 1.838) 8.235 10.906 ( -3.159 -2.080 -2.899) 4.766 10.906 ( -3.159 2.080 -2.899) 4.766 11.092 ( 2.377 -1.164 -2.062) 3.355 11.092 ( 2.377 1.164 -2.062) 3.355 13.202 ( -3.093 -4.272 3.972) 6.603 13.202 ( -3.093 4.272 3.972) 6.603 13.616 ( -3.833 -13.809 -2.613) 14.567 13.616 ( -3.833 13.809 -2.613) 14.567 ======================= Grid point 157 (58/100) ======================= q-point: ( 0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 3.354 -6.973 -4.977) 9.200 1.821 ( 3.354 6.973 -4.977) 9.200 1.975 ( -0.406 -6.329 11.296) 12.954 1.975 ( -0.406 6.329 11.296) 12.954 2.058 ( 5.221 -7.034 1.571) 8.900 2.058 ( 5.221 7.034 1.571) 8.900 2.253 ( -1.193 -7.498 1.077) 7.669 2.253 ( -1.193 7.498 1.077) 7.669 2.422 ( -6.851 -4.991 -6.866) 10.908 2.422 ( -6.851 4.991 -6.866) 10.908 2.817 ( -6.905 -5.692 -6.537) 11.082 2.817 ( -6.905 5.692 -6.537) 11.082 3.083 ( 0.510 -5.433 0.350) 5.468 3.083 ( 0.510 5.433 0.350) 5.468 3.209 ( 3.445 -2.532 1.239) 4.452 3.209 ( 3.445 2.532 1.239) 4.452 3.299 ( 6.615 -8.370 -0.724) 10.693 3.299 ( 6.615 8.370 -0.724) 10.693 3.898 ( 3.001 -4.347 -2.499) 5.844 3.898 ( 3.001 4.347 -2.499) 5.844 4.135 ( 3.534 -4.789 -5.869) 8.359 4.135 ( 3.534 4.789 -5.869) 8.359 4.536 ( 9.439 -14.019 12.797) 21.199 4.536 ( 9.439 14.019 12.797) 21.199 4.861 ( -1.849 -4.992 -4.264) 6.821 4.861 ( -1.849 4.992 -4.264) 6.821 4.976 ( -1.845 -7.039 1.913) 7.524 4.976 ( -1.845 7.039 1.913) 7.524 5.315 ( -3.589 -5.635 -5.323) 8.543 5.315 ( -3.589 5.635 -5.323) 8.543 5.625 ( 4.348 -7.846 3.728) 9.714 5.625 ( 4.348 7.846 3.728) 9.714 5.819 ( -2.891 -2.324 -2.027) 4.226 5.819 ( -2.891 2.324 -2.027) 4.226 6.094 ( -5.659 -7.141 -5.550) 10.668 6.094 ( -5.659 7.141 -5.550) 10.668 6.328 ( -4.986 -12.137 1.214) 13.177 6.328 ( -4.986 12.137 1.214) 13.177 6.744 ( -11.571 -12.842 -12.307) 21.220 6.744 ( -11.571 12.842 -12.307) 21.220 7.292 ( -6.114 -18.196 -2.424) 19.348 7.292 ( -6.114 18.196 -2.424) 19.348 7.391 ( 11.987 -11.093 10.526) 19.430 7.391 ( 11.987 11.093 10.526) 19.430 8.427 ( 6.357 -15.833 8.928) 19.256 8.427 ( 6.357 15.833 8.928) 19.256 9.540 ( 7.901 -13.749 8.876) 18.173 9.540 ( 7.901 13.749 8.876) 18.173 10.484 ( 3.649 -3.174 3.007) 5.695 10.484 ( 3.649 3.174 3.007) 5.695 10.837 ( -2.345 -5.129 -2.743) 6.271 10.837 ( -2.345 5.129 -2.743) 6.271 10.894 ( 1.785 -6.504 2.277) 7.118 10.894 ( 1.785 6.504 2.277) 7.118 11.116 ( -0.235 -0.332 -0.252) 0.478 11.116 ( -0.235 0.332 -0.252) 0.478 13.136 ( -2.698 -4.748 -3.416) 6.441 13.136 ( -2.698 4.748 -3.416) 6.441 13.507 ( -6.803 -9.866 -7.300) 14.032 13.507 ( -6.803 9.866 -7.300) 14.032 ======================= Grid point 159 (59/100) ======================= q-point: ( 0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( -1.047 -1.558 -1.770) 2.580 1.834 ( -1.047 1.558 -1.770) 2.580 1.915 ( -4.544 -3.796 6.668) 8.917 1.915 ( -4.544 3.796 6.668) 8.917 2.111 ( 1.933 -3.464 4.988) 6.373 2.111 ( 1.933 3.464 4.988) 6.373 2.239 ( -2.927 -6.905 -0.801) 7.542 2.239 ( -2.927 6.905 -0.801) 7.542 2.420 ( 6.626 -7.365 -5.332) 11.251 2.420 ( 6.626 7.365 -5.332) 11.251 2.690 ( -6.026 -4.429 -7.297) 10.448 2.690 ( -6.026 4.429 -7.297) 10.448 3.127 ( 3.658 -7.109 1.782) 8.191 3.127 ( 3.658 7.109 1.782) 8.191 3.263 ( -0.097 -4.120 2.598) 4.872 3.263 ( -0.097 4.120 2.598) 4.872 3.498 ( 13.479 -7.591 -2.391) 15.653 3.498 ( 13.479 7.591 -2.391) 15.653 3.905 ( -3.091 -1.282 -1.022) 3.499 3.905 ( -3.091 1.282 -1.022) 3.499 4.204 ( 6.239 -4.028 -13.743) 15.621 4.204 ( 6.239 4.028 -13.743) 15.621 4.649 ( -4.207 -1.069 -2.080) 4.813 4.649 ( -4.207 1.069 -2.080) 4.813 4.848 ( 3.417 -0.561 -3.972) 5.270 4.848 ( 3.417 0.561 -3.972) 5.270 5.028 ( 6.129 -7.485 -1.920) 9.863 5.028 ( 6.129 7.485 -1.920) 9.863 5.197 ( -5.816 -4.591 -2.583) 7.847 5.197 ( -5.816 4.591 -2.583) 7.847 5.589 ( -10.980 -7.621 -4.239) 14.021 5.589 ( -10.980 7.621 -4.239) 14.021 5.820 ( 4.529 -3.218 -0.341) 5.567 5.820 ( 4.529 3.218 -0.341) 5.567 6.006 ( -1.476 -5.446 -5.396) 7.807 6.006 ( -1.476 5.446 -5.396) 7.807 6.217 ( -4.560 -12.678 0.161) 13.474 6.217 ( -4.560 12.678 0.161) 13.474 6.454 ( -13.086 -7.702 -9.743) 18.041 6.454 ( -13.086 7.702 -9.743) 18.041 7.327 ( 6.642 -42.678 -0.684) 43.198 7.327 ( 6.642 42.678 -0.684) 43.198 7.546 ( 0.965 -37.782 4.176) 38.025 7.546 ( 0.965 37.782 4.176) 38.025 8.698 ( 20.072 -3.539 24.949) 32.216 8.698 ( 20.072 3.539 24.949) 32.216 9.495 ( -11.450 -13.677 25.110) 30.801 9.495 ( -11.450 13.677 25.110) 30.801 10.605 ( 7.169 -5.653 -2.436) 9.449 10.605 ( 7.169 5.653 -2.436) 9.449 10.791 ( -2.430 -7.383 -2.763) 8.249 10.791 ( -2.430 7.383 -2.763) 8.249 10.941 ( 2.945 -4.441 2.769) 6.005 10.941 ( 2.945 4.441 2.769) 6.005 11.083 ( -2.841 -0.511 1.580) 3.291 11.083 ( -2.841 0.511 1.580) 3.291 13.121 ( 1.665 -3.685 -11.306) 12.007 13.121 ( 1.665 3.685 -11.306) 12.007 13.354 ( -7.990 -4.773 -12.341) 15.457 13.354 ( -7.990 4.773 -12.341) 15.457 ======================= Grid point 161 (60/100) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -1.568 -3.747 3.010) 5.055 1.837 ( 0.685 -3.680 3.010) 4.803 1.837 ( -0.685 3.680 3.010) 4.803 1.837 ( 1.568 3.747 3.010) 5.055 2.170 ( -3.411 -2.384 1.965) 4.602 2.170 ( 1.533 -1.834 1.965) 3.094 2.170 ( -1.533 1.834 1.965) 3.094 2.170 ( 3.411 2.384 1.965) 4.602 2.564 ( -6.634 -6.695 -5.970) 11.156 2.564 ( 5.828 -6.505 -5.970) 10.579 2.564 ( -5.828 6.505 -5.970) 10.579 2.564 ( 6.634 6.695 -5.970) 11.156 3.211 ( -4.133 -7.035 2.893) 8.657 3.211 ( 4.125 -7.034 2.893) 8.652 3.211 ( -4.125 7.034 2.893) 8.652 3.211 ( 4.133 7.035 2.893) 8.657 3.764 ( -10.854 -4.082 -1.811) 11.737 3.764 ( -10.697 3.976 -1.811) 11.555 3.764 ( 10.697 -3.976 -1.811) 11.555 3.764 ( 10.854 4.082 -1.811) 11.737 4.417 ( -13.976 -5.459 -16.337) 22.181 4.417 ( -12.796 4.680 -16.337) 21.273 4.417 ( 12.796 -4.680 -16.337) 21.273 4.417 ( 13.976 5.459 -16.337) 22.181 4.979 ( -6.075 -6.074 -2.586) 8.971 4.979 ( -0.048 -5.260 -2.586) 5.861 4.979 ( 0.048 5.260 -2.586) 5.861 4.979 ( 6.075 6.074 -2.586) 8.971 5.316 ( -13.357 -4.195 -2.383) 14.201 5.316 ( -12.962 3.873 -2.383) 13.737 5.316 ( 12.962 -3.873 -2.383) 13.737 5.316 ( 13.357 4.195 -2.383) 14.201 5.937 ( -5.792 -4.534 -3.422) 8.113 5.937 ( 3.450 -3.892 -3.422) 6.226 5.937 ( -3.450 3.892 -3.422) 6.226 5.937 ( 5.792 4.534 -3.422) 8.113 6.247 ( -6.069 -14.322 -1.506) 15.628 6.247 ( 4.328 -14.163 -1.506) 14.886 6.247 ( -4.328 14.163 -1.506) 14.886 6.247 ( 6.069 14.322 -1.506) 15.628 7.473 ( -6.697 -43.864 -0.734) 44.378 7.473 ( 6.696 -43.864 -0.734) 44.378 7.473 ( -6.696 43.864 -0.734) 44.378 7.473 ( 6.697 43.864 -0.734) 44.378 9.144 ( -21.732 -11.471 30.526) 39.187 9.144 ( 7.353 -5.199 30.526) 31.826 9.144 ( -7.353 5.199 30.526) 31.826 9.144 ( 21.732 11.471 30.526) 39.187 10.726 ( -4.399 -7.671 -2.957) 9.324 10.726 ( 4.326 -7.660 -2.957) 9.281 10.726 ( -4.326 7.660 -2.957) 9.281 10.726 ( 4.399 7.671 -2.957) 9.324 11.012 ( -3.866 -1.888 2.689) 5.074 11.012 ( -0.846 0.081 2.689) 2.821 11.012 ( 0.846 -0.081 2.689) 2.821 11.012 ( 3.866 1.888 2.689) 5.074 13.205 ( -6.275 -0.333 -14.591) 15.887 13.205 ( -6.267 0.296 -14.591) 15.883 13.205 ( 6.267 -0.296 -14.591) 15.883 13.205 ( 6.275 0.333 -14.591) 15.887 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 0.000 0.000 21.460) 21.460 1.643 ( 0.000 0.000 14.389) 14.389 1.950 ( 0.000 0.000 -1.019) 1.019 2.114 ( 0.000 0.000 -0.659) 0.659 2.149 ( 0.000 0.000 -8.684) 8.684 2.195 ( 0.000 0.000 -1.137) 1.137 2.254 ( 0.000 0.000 -13.380) 13.380 2.367 ( 0.000 0.000 -10.158) 10.158 2.478 ( 0.000 0.000 1.378) 1.378 2.561 ( 0.000 0.000 2.774) 2.774 2.714 ( 0.000 0.000 3.150) 3.150 2.766 ( 0.000 0.000 -2.987) 2.987 2.915 ( 0.000 0.000 7.685) 7.685 2.997 ( 0.000 0.000 5.380) 5.380 3.200 ( 0.000 0.000 -11.295) 11.295 3.309 ( 0.000 0.000 11.734) 11.734 3.325 ( 0.000 0.000 -6.002) 6.002 3.562 ( 0.000 0.000 8.046) 8.046 3.614 ( 0.000 0.000 -1.165) 1.165 3.784 ( 0.000 0.000 -4.820) 4.820 3.847 ( 0.000 0.000 12.204) 12.204 4.020 ( 0.000 0.000 3.573) 3.573 4.023 ( 0.000 0.000 8.012) 8.012 4.267 ( 0.000 0.000 -6.015) 6.015 4.322 ( 0.000 0.000 -6.230) 6.230 4.885 ( 0.000 0.000 14.712) 14.712 5.001 ( 0.000 0.000 -19.820) 19.820 5.231 ( 0.000 0.000 14.556) 14.556 5.390 ( 0.000 0.000 -8.649) 8.649 5.409 ( 0.000 0.000 9.161) 9.161 5.587 ( 0.000 0.000 2.268) 2.268 5.665 ( 0.000 0.000 9.916) 9.916 5.748 ( 0.000 0.000 3.904) 3.904 5.812 ( 0.000 0.000 -8.364) 8.364 5.928 ( 0.000 0.000 7.149) 7.149 6.143 ( 0.000 0.000 -1.752) 1.752 6.394 ( 0.000 0.000 3.469) 3.469 6.463 ( 0.000 0.000 7.807) 7.807 6.571 ( 0.000 0.000 23.456) 23.456 6.691 ( 0.000 0.000 -2.305) 2.305 6.802 ( 0.000 0.000 12.424) 12.424 7.327 ( 0.000 0.000 -27.026) 27.026 7.739 ( 0.000 0.000 -24.024) 24.024 7.766 ( 0.000 0.000 -15.216) 15.216 8.261 ( 0.000 0.000 5.676) 5.676 8.927 ( 0.000 0.000 -15.032) 15.032 9.325 ( 0.000 0.000 12.665) 12.665 9.964 ( 0.000 0.000 -17.085) 17.085 10.437 ( 0.000 0.000 4.341) 4.341 10.615 ( 0.000 0.000 3.843) 3.843 10.653 ( 0.000 0.000 -2.206) 2.206 10.683 ( 0.000 0.000 8.152) 8.152 10.873 ( 0.000 0.000 -4.009) 4.009 10.934 ( 0.000 0.000 -4.284) 4.284 11.215 ( 0.000 0.000 0.625) 0.625 11.245 ( 0.000 0.000 -0.789) 0.789 13.067 ( 0.000 0.000 12.093) 12.093 13.267 ( 0.000 0.000 13.474) 13.474 13.318 ( 0.000 0.000 -0.595) 0.595 13.802 ( 0.000 0.000 -11.461) 11.461 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 2.645 0.000 18.453) 18.642 1.621 ( -2.447 0.000 15.280) 15.475 2.037 ( 6.346 0.000 -5.250) 8.236 2.134 ( -1.356 0.000 -6.197) 6.344 2.181 ( 6.326 0.000 0.990) 6.403 2.195 ( -5.440 0.000 -12.194) 13.352 2.279 ( 6.987 0.000 -1.122) 7.077 2.293 ( -8.195 0.000 -2.357) 8.528 2.460 ( -7.029 0.000 4.585) 8.392 2.537 ( 5.309 0.000 -5.503) 7.646 2.685 ( -5.732 0.000 2.185) 6.134 2.749 ( 3.416 0.000 0.221) 3.423 2.816 ( 5.036 0.000 -0.532) 5.064 3.039 ( -5.333 0.000 -10.090) 11.413 3.321 ( 1.183 0.000 11.637) 11.697 3.323 ( 12.640 0.000 5.376) 13.736 3.404 ( -0.001 0.000 1.596) 1.596 3.559 ( -2.863 0.000 0.649) 2.935 3.716 ( 12.624 0.000 -0.889) 12.655 3.762 ( -2.017 0.000 -2.372) 3.114 3.849 ( 1.604 0.000 15.713) 15.794 4.030 ( 0.516 0.000 6.777) 6.797 4.095 ( 5.874 0.000 1.315) 6.020 4.276 ( -4.734 0.000 -3.075) 5.645 4.314 ( 3.833 0.000 -7.243) 8.195 4.745 ( -12.003 0.000 9.688) 15.425 5.001 ( -0.384 0.000 -19.241) 19.245 5.144 ( -6.685 0.000 12.990) 14.609 5.273 ( -11.269 0.000 -8.678) 14.223 5.353 ( -4.890 0.000 10.144) 11.261 5.627 ( -2.469 0.000 7.292) 7.698 5.634 ( -0.782 0.000 -1.066) 1.322 5.703 ( -6.529 0.000 -7.305) 9.798 5.747 ( -0.095 0.000 4.769) 4.770 5.838 ( -4.833 0.000 8.299) 9.604 6.140 ( -9.751 0.000 -2.243) 10.006 6.201 ( 1.452 0.000 -9.269) 9.382 6.411 ( -6.237 0.000 9.798) 11.614 6.601 ( -2.528 0.000 5.686) 6.222 6.635 ( -30.575 0.000 -25.358) 39.723 6.926 ( 7.967 0.000 1.303) 8.073 7.197 ( 28.739 0.000 26.632) 39.181 7.430 ( -27.559 0.000 -20.548) 34.376 8.303 ( 33.011 0.000 -22.290) 39.832 8.399 ( 18.510 0.000 23.937) 30.259 9.276 ( 8.377 0.000 3.504) 9.080 9.405 ( 23.127 0.000 -9.142) 24.868 9.913 ( -4.874 0.000 -15.938) 16.667 10.377 ( -4.776 0.000 5.061) 6.959 10.575 ( -4.935 0.000 -5.411) 7.324 10.686 ( 4.523 0.000 7.308) 8.595 10.708 ( 2.399 0.000 9.052) 9.365 10.931 ( 4.224 0.000 -4.405) 6.103 10.989 ( 4.579 0.000 -4.890) 6.699 11.216 ( 0.165 0.000 0.629) 0.651 11.248 ( 0.232 0.000 -0.796) 0.830 13.040 ( -2.643 0.000 9.938) 10.283 13.142 ( -11.987 0.000 11.462) 16.585 13.262 ( -5.370 0.000 -1.391) 5.547 13.671 ( -12.557 0.000 -12.513) 17.727 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -3.725 0.000 11.416) 12.008 1.632 ( 3.498 0.000 10.674) 11.233 2.022 ( -7.032 0.000 0.094) 7.033 2.052 ( -8.180 0.000 -10.982) 13.693 2.057 ( -8.242 0.000 -7.368) 11.056 2.143 ( -5.987 0.000 -2.374) 6.440 2.336 ( 7.719 0.000 4.452) 8.911 2.418 ( 5.835 0.000 2.931) 6.530 2.451 ( 7.658 0.000 2.736) 8.132 2.671 ( 6.632 0.000 -9.621) 11.686 2.707 ( 7.332 0.000 -0.457) 7.347 2.841 ( 5.952 0.000 -0.382) 5.964 2.971 ( 9.567 0.000 -1.540) 9.690 3.037 ( 4.504 0.000 -7.447) 8.703 3.307 ( -7.441 0.000 4.825) 8.868 3.356 ( 2.389 0.000 10.409) 10.680 3.388 ( -0.898 0.000 3.539) 3.651 3.653 ( 6.831 0.000 5.123) 8.539 3.707 ( -3.506 0.000 1.469) 3.802 3.825 ( 2.373 0.000 -3.118) 3.919 4.005 ( -5.152 0.000 11.386) 12.498 4.044 ( 9.377 0.000 17.929) 20.233 4.169 ( -2.441 0.000 -3.585) 4.337 4.188 ( 4.363 0.000 -3.074) 5.337 4.361 ( -0.527 0.000 -6.045) 6.068 4.517 ( -9.002 0.000 -5.767) 10.691 4.955 ( -2.668 0.000 -3.390) 4.314 4.960 ( -19.658 0.000 -16.195) 25.470 5.063 ( -1.157 0.000 -8.207) 8.288 5.258 ( -3.246 0.000 8.895) 9.469 5.401 ( -14.527 0.000 -6.365) 15.860 5.571 ( -3.382 0.000 1.755) 3.810 5.709 ( 0.718 0.000 -5.048) 5.099 5.744 ( -0.974 0.000 6.805) 6.874 5.794 ( -0.273 0.000 3.599) 3.610 5.977 ( -12.903 0.000 -10.307) 16.514 6.050 ( -16.201 0.000 -16.134) 22.864 6.150 ( -5.723 0.000 -10.117) 11.624 6.240 ( -9.144 0.000 3.941) 9.957 6.500 ( -14.702 0.000 -5.532) 15.708 6.984 ( -2.931 0.000 0.550) 2.982 7.120 ( 5.058 0.000 1.456) 5.264 7.880 ( 34.819 0.000 32.001) 47.291 8.880 ( 22.858 0.000 -13.139) 26.365 8.885 ( 25.494 0.000 27.972) 37.846 9.344 ( 6.319 0.000 12.141) 13.687 9.767 ( -7.577 0.000 -14.874) 16.693 10.017 ( 28.002 0.000 -10.984) 30.079 10.276 ( -4.785 0.000 4.584) 6.626 10.469 ( -5.250 0.000 -4.722) 7.061 10.770 ( 3.516 0.000 10.967) 11.516 10.791 ( 5.606 0.000 6.454) 8.549 11.005 ( 2.744 0.000 -3.397) 4.367 11.077 ( 3.300 0.000 -4.116) 5.276 11.221 ( 0.324 0.000 0.648) 0.725 11.253 ( 0.191 0.000 -0.622) 0.651 12.822 ( -18.258 0.000 4.318) 18.761 12.969 ( -4.051 0.000 4.233) 5.859 13.120 ( -8.161 0.000 -3.658) 8.943 13.328 ( -20.537 0.000 -16.354) 26.253 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 2.879 0.000 0.910) 3.019 1.696 ( 2.896 0.000 1.651) 3.334 1.885 ( -9.422 0.000 -10.467) 14.083 1.887 ( -7.589 0.000 -8.125) 11.118 1.898 ( -4.268 0.000 2.360) 4.877 1.975 ( -7.831 0.000 2.143) 8.119 2.458 ( 4.300 0.000 8.046) 9.122 2.501 ( 2.432 0.000 7.663) 8.040 2.667 ( 11.764 0.000 2.887) 12.113 2.810 ( 5.492 0.000 -9.584) 11.046 2.841 ( 4.551 0.000 -2.157) 5.036 2.993 ( 8.473 0.000 -0.209) 8.475 3.091 ( -6.354 0.000 -4.164) 7.597 3.136 ( 5.054 0.000 -5.424) 7.414 3.243 ( 7.746 0.000 8.387) 11.417 3.430 ( 5.062 0.000 8.464) 9.863 3.450 ( 8.312 0.000 4.295) 9.356 3.618 ( -5.015 0.000 8.453) 9.829 3.735 ( 1.741 0.000 0.590) 1.838 3.852 ( -6.023 0.000 0.467) 6.041 3.900 ( -1.663 0.000 2.227) 2.780 3.979 ( -4.462 0.000 4.496) 6.335 4.181 ( -0.124 0.000 -6.718) 6.719 4.218 ( -6.198 0.000 -8.526) 10.541 4.364 ( -7.171 0.000 -14.731) 16.384 4.480 ( 13.274 0.000 5.259) 14.278 4.542 ( -17.642 0.000 -21.131) 27.527 4.938 ( -3.786 0.000 -5.604) 6.763 5.004 ( -3.718 0.000 -6.612) 7.586 5.126 ( -7.619 0.000 -9.725) 12.354 5.295 ( 4.952 0.000 2.437) 5.519 5.498 ( -3.265 0.000 -1.286) 3.509 5.589 ( -10.159 0.000 -1.911) 10.338 5.708 ( -7.156 0.000 -11.551) 13.588 5.761 ( 1.392 0.000 5.539) 5.712 5.826 ( 0.840 0.000 -2.368) 2.513 5.931 ( -3.657 0.000 -4.315) 5.656 6.025 ( -6.636 0.000 -3.873) 7.684 6.057 ( -6.501 0.000 1.660) 6.710 6.190 ( -10.093 0.000 -11.669) 15.429 7.075 ( 7.467 0.000 10.480) 12.867 7.214 ( 2.416 0.000 5.451) 5.963 8.534 ( 29.174 0.000 29.019) 41.149 9.159 ( 3.441 0.000 3.620) 4.994 9.219 ( 8.607 0.000 7.404) 11.353 9.553 ( -5.856 0.000 -5.974) 8.366 9.739 ( 23.922 0.000 24.783) 34.445 10.216 ( -0.231 0.000 -0.133) 0.267 10.366 ( -5.023 0.000 -4.822) 6.963 10.421 ( 7.130 0.000 7.556) 10.389 10.866 ( 7.631 0.000 8.257) 11.243 10.904 ( 5.408 0.000 4.804) 7.234 11.032 ( -0.160 0.000 -0.965) 0.979 11.105 ( -0.688 0.000 -0.782) 1.041 11.230 ( 0.512 0.000 0.693) 0.862 11.252 ( -0.301 0.000 0.057) 0.306 12.504 ( -10.096 0.000 -10.836) 14.810 12.888 ( -21.983 0.000 -22.264) 31.288 12.895 ( -2.809 0.000 -2.577) 3.812 12.964 ( -6.591 0.000 -6.388) 9.179 ======================= Grid point 193 (65/100) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -10.106 0.000 -9.770) 14.056 1.667 ( 10.106 0.000 -9.770) 14.057 1.765 ( -4.470 0.000 -4.545) 6.375 1.765 ( 4.470 0.000 -4.545) 6.375 1.880 ( -1.957 0.000 5.394) 5.739 1.880 ( 1.957 0.000 5.394) 5.739 2.514 ( -1.204 0.000 9.643) 9.718 2.514 ( 1.204 0.000 9.643) 9.718 2.860 ( -3.284 0.000 -1.947) 3.817 2.860 ( 3.284 0.000 -1.947) 3.817 2.911 ( -8.724 0.000 -1.829) 8.913 2.911 ( 8.724 0.000 -1.829) 8.913 3.137 ( -4.638 0.000 -4.316) 6.336 3.137 ( 4.638 0.000 -4.316) 6.336 3.494 ( -13.332 0.000 12.068) 17.983 3.494 ( 13.332 0.000 12.068) 17.983 3.530 ( -4.144 0.000 11.808) 12.514 3.530 ( 4.144 0.000 11.808) 12.514 3.709 ( -4.228 0.000 -5.599) 7.016 3.709 ( 4.228 0.000 -5.599) 7.016 3.998 ( -11.510 0.000 -13.465) 17.714 3.998 ( 11.510 0.000 -13.465) 17.714 4.050 ( -7.920 0.000 -6.225) 10.074 4.050 ( 7.920 0.000 -6.225) 10.074 4.350 ( -4.708 0.000 -13.422) 14.224 4.350 ( 4.708 0.000 -13.422) 14.224 4.734 ( -11.716 0.000 -1.092) 11.766 4.734 ( 11.716 0.000 -1.092) 11.766 5.030 ( -3.342 0.000 -7.528) 8.237 5.030 ( 3.342 0.000 -7.528) 8.237 5.471 ( -11.797 0.000 -1.823) 11.937 5.471 ( 11.797 0.000 -1.823) 11.937 5.473 ( -1.642 0.000 -1.946) 2.546 5.473 ( 1.642 0.000 -1.946) 2.546 5.864 ( -7.121 0.000 0.738) 7.160 5.864 ( 7.121 0.000 0.738) 7.160 5.867 ( -2.729 0.000 -1.801) 3.270 5.867 ( 2.729 0.000 -1.801) 3.270 6.063 ( -3.778 0.000 -7.636) 8.519 6.063 ( 3.778 0.000 -7.636) 8.519 7.198 ( -3.925 0.000 9.196) 9.999 7.198 ( 3.925 0.000 9.196) 9.999 9.011 ( -16.987 0.000 20.306) 26.474 9.011 ( 16.987 0.000 20.306) 26.474 9.380 ( -8.516 0.000 -3.374) 9.160 9.380 ( 8.516 0.000 -3.374) 9.160 10.252 ( -20.722 0.000 27.787) 34.663 10.252 ( 20.722 0.000 27.787) 34.663 10.268 ( -4.481 0.000 -4.626) 6.440 10.268 ( 4.481 0.000 -4.626) 6.440 10.996 ( -3.390 0.000 2.111) 3.994 10.996 ( 3.390 0.000 2.111) 3.994 11.037 ( -6.510 0.000 3.313) 7.305 11.037 ( 6.510 0.000 3.313) 7.305 11.242 ( -0.639 0.000 0.639) 0.903 11.242 ( 0.639 0.000 0.639) 0.903 12.521 ( -11.805 0.000 -24.186) 26.913 12.521 ( 11.805 0.000 -24.186) 26.913 12.878 ( -1.611 0.000 -6.765) 6.955 12.878 ( 1.611 0.000 -6.765) 6.955 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 0.000 -1.866 9.856) 10.031 1.637 ( 0.000 -0.661 9.344) 9.367 1.943 ( 0.000 -9.986 -9.061) 13.484 2.026 ( 0.000 1.047 -2.547) 2.754 2.144 ( 0.000 1.367 -5.377) 5.548 2.215 ( 0.000 -1.651 7.505) 7.684 2.279 ( 0.000 -4.195 -10.415) 11.228 2.302 ( 0.000 -3.706 1.581) 4.029 2.559 ( 0.000 10.712 -1.204) 10.780 2.598 ( 0.000 3.622 -1.940) 4.109 2.750 ( 0.000 -2.038 2.727) 3.404 2.798 ( 0.000 3.417 3.332) 4.772 3.009 ( 0.000 8.081 1.166) 8.165 3.019 ( 0.000 7.263 3.962) 8.274 3.185 ( 0.000 -0.767 -6.838) 6.880 3.299 ( 0.000 -1.975 -6.276) 6.580 3.361 ( 0.000 4.452 8.057) 9.205 3.500 ( 0.000 -5.093 4.891) 7.061 3.565 ( 0.000 -4.657 -1.506) 4.894 3.802 ( 0.000 -3.346 8.113) 8.776 3.825 ( 0.000 0.639 5.235) 5.274 3.984 ( 0.000 -0.616 4.594) 4.635 4.188 ( 0.000 4.365 -0.101) 4.367 4.316 ( 0.000 24.306 4.971) 24.809 4.557 ( 0.000 12.556 -7.057) 14.403 4.913 ( 0.000 2.085 12.212) 12.388 5.006 ( 0.000 0.101 -19.285) 19.286 5.171 ( 0.000 -3.378 9.194) 9.795 5.380 ( 0.000 -1.840 10.251) 10.415 5.464 ( 0.000 6.078 -4.980) 7.858 5.549 ( 0.000 -1.504 0.599) 1.619 5.702 ( 0.000 -6.579 -5.619) 8.652 5.831 ( 0.000 3.156 10.312) 10.784 5.903 ( 0.000 11.629 8.087) 14.164 5.968 ( 0.000 13.944 7.307) 15.743 6.065 ( 0.000 -5.978 0.580) 6.007 6.370 ( 0.000 -3.366 2.137) 3.987 6.395 ( 0.000 -5.757 3.188) 6.581 6.676 ( 0.000 4.998 18.860) 19.511 6.680 ( 0.000 0.446 -4.052) 4.076 6.813 ( 0.000 4.355 12.121) 12.880 7.392 ( 0.000 5.861 -25.057) 25.733 7.612 ( 0.000 -8.068 -10.639) 13.352 7.876 ( 0.000 4.902 -25.394) 25.862 8.269 ( 0.000 1.570 3.982) 4.280 8.879 ( 0.000 -5.055 -14.418) 15.278 9.054 ( 0.000 -25.455 12.382) 28.307 9.633 ( 0.000 -29.970 -14.806) 33.428 10.530 ( 0.000 7.865 4.135) 8.886 10.628 ( 0.000 0.448 7.881) 7.894 10.681 ( 0.000 -0.039 8.082) 8.082 10.735 ( 0.000 6.293 -6.212) 8.842 10.876 ( 0.000 0.299 -3.963) 3.974 10.934 ( 0.000 -0.012 -4.320) 4.320 11.168 ( 0.000 -4.711 0.682) 4.760 11.194 ( 0.000 -4.778 -0.571) 4.812 13.172 ( 0.000 9.911 9.081) 13.442 13.294 ( 0.000 2.671 12.708) 12.986 13.340 ( 0.000 1.976 0.632) 2.075 13.797 ( 0.000 -0.898 -10.793) 10.831 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.12 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 4.536 -0.204 8.655) 9.774 1.656 ( 0.858 1.189 9.983) 10.090 1.923 ( -1.937 -9.466 -9.605) 13.624 2.053 ( 1.956 -1.621 -4.371) 5.056 2.195 ( 2.383 -1.531 -5.990) 6.626 2.224 ( -0.577 -1.473 6.842) 7.022 2.286 ( 1.209 -2.519 2.514) 3.759 2.329 ( 3.442 2.262 -6.786) 7.938 2.534 ( -6.557 6.896 1.265) 9.600 2.563 ( 0.561 5.079 -1.890) 5.448 2.635 ( -6.867 -1.717 3.299) 7.810 2.825 ( 1.264 4.176 -0.856) 4.446 2.881 ( 5.931 5.378 2.891) 8.512 3.039 ( -5.464 0.068 -10.034) 11.425 3.250 ( 0.111 -4.508 5.697) 7.265 3.309 ( -1.397 -6.358 -2.207) 6.874 3.416 ( 3.621 5.305 6.543) 9.169 3.514 ( 2.337 -2.562 2.525) 4.289 3.690 ( 9.169 -3.396 -4.969) 10.968 3.823 ( 5.734 1.009 25.675) 26.327 3.839 ( 0.973 2.845 -5.709) 6.453 4.051 ( 4.917 -0.668 2.680) 5.639 4.208 ( 0.921 3.365 0.828) 3.586 4.324 ( 0.857 23.689 3.461) 23.956 4.486 ( -6.433 9.678 -4.618) 12.505 4.847 ( -5.784 6.764 5.648) 10.541 5.014 ( 0.438 0.995 -19.130) 19.161 5.094 ( -6.831 -2.455 8.590) 11.247 5.319 ( -6.552 -0.456 8.982) 11.127 5.344 ( -9.635 2.900 -1.444) 10.165 5.586 ( 2.718 -1.635 -0.598) 3.228 5.653 ( -5.573 -2.862 -7.058) 9.438 5.742 ( -4.002 0.675 7.008) 8.098 5.841 ( -5.092 9.999 6.911) 13.179 5.894 ( -4.671 11.333 7.019) 14.125 6.123 ( 0.701 -2.877 -6.439) 7.087 6.250 ( -5.554 2.726 -4.806) 7.834 6.396 ( -4.057 0.183 5.218) 6.613 6.528 ( -4.918 -2.736 7.128) 9.082 6.704 ( -26.023 5.183 -23.325) 35.329 6.852 ( 4.980 -6.209 0.650) 7.985 7.233 ( 9.538 1.364 10.844) 14.506 7.454 ( -9.607 3.210 -6.035) 11.791 8.262 ( 26.109 -5.424 2.922) 26.826 8.468 ( 23.572 6.968 -1.592) 24.632 9.044 ( 1.321 -23.072 11.292) 25.720 9.322 ( 30.834 -6.334 -16.600) 35.586 9.591 ( -4.083 -29.339 -13.865) 32.706 10.457 ( -5.097 6.431 5.209) 9.719 10.654 ( -4.470 5.169 -4.269) 8.057 10.689 ( 1.962 0.151 6.881) 7.156 10.720 ( 4.110 1.752 7.784) 8.975 10.931 ( 3.667 -0.283 -4.150) 5.545 10.989 ( 4.495 0.156 -4.853) 6.616 11.168 ( 0.030 -4.788 0.702) 4.839 11.196 ( 0.140 -4.715 -0.579) 4.753 13.136 ( -3.817 8.706 7.218) 11.936 13.179 ( -10.687 3.969 10.647) 15.599 13.281 ( -5.591 1.715 -0.270) 5.854 13.675 ( -11.702 0.006 -11.893) 16.684 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.25 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -0.886 6.553 7.219) 9.790 1.680 ( 3.962 0.916 5.332) 6.705 1.867 ( -3.384 -6.521 -6.454) 9.779 2.011 ( -6.282 -2.589 -6.356) 9.304 2.131 ( -7.188 2.531 4.943) 9.084 2.226 ( -0.517 3.999 -2.622) 4.810 2.361 ( -0.179 2.262 -6.646) 7.023 2.375 ( 6.431 -6.003 1.578) 8.937 2.473 ( 1.322 5.118 2.514) 5.854 2.589 ( 2.653 -4.268 -1.939) 5.386 2.636 ( 5.561 -5.275 3.817) 8.563 2.911 ( 6.080 -0.601 -0.029) 6.109 2.999 ( 2.595 0.420 -5.702) 6.278 3.075 ( 8.758 4.092 -3.155) 10.169 3.171 ( -4.433 -8.723 4.642) 10.830 3.278 ( 2.463 -5.695 2.252) 6.601 3.402 ( -1.572 0.968 8.555) 8.752 3.650 ( 3.739 1.488 2.811) 4.909 3.756 ( 2.602 -4.136 1.303) 5.058 3.850 ( 0.671 3.795 -1.782) 4.246 3.968 ( -1.544 -0.254 10.313) 10.431 4.159 ( -4.876 7.063 8.028) 11.752 4.182 ( 8.396 3.515 -1.009) 9.158 4.357 ( 2.547 19.804 -0.795) 19.983 4.390 ( -0.672 6.202 -5.033) 8.016 4.706 ( -7.573 10.866 -2.046) 13.402 4.899 ( -14.517 -3.066 -9.255) 17.487 4.999 ( -1.676 3.841 -6.190) 7.475 5.149 ( -5.285 6.040 -9.230) 12.231 5.229 ( -2.771 -2.346 7.904) 8.698 5.437 ( -13.973 3.977 -7.535) 16.366 5.625 ( 0.209 2.620 -1.264) 2.917 5.696 ( -3.853 -0.949 -4.172) 5.757 5.763 ( -1.102 1.560 6.550) 6.823 5.838 ( -2.145 8.769 6.163) 10.930 5.991 ( -17.711 0.211 -13.352) 22.181 6.083 ( -5.236 1.844 -5.517) 7.827 6.163 ( -7.695 2.063 -10.628) 13.282 6.360 ( -10.584 13.614 -2.726) 17.459 6.480 ( -8.637 -1.133 -1.632) 8.863 6.892 ( -6.198 -8.093 -1.908) 10.371 7.011 ( 4.311 -10.114 1.307) 11.072 7.970 ( 33.318 7.398 30.636) 45.863 8.739 ( 18.277 -16.308 16.483) 29.525 8.986 ( 23.218 7.557 -5.324) 24.991 9.142 ( 12.339 -14.856 15.564) 24.804 9.474 ( -6.867 -26.971 -12.107) 30.351 9.941 ( 27.978 -6.996 -11.643) 31.101 10.357 ( -4.407 6.585 4.521) 9.122 10.548 ( -5.136 5.945 -4.718) 9.164 10.744 ( 3.012 -2.158 10.006) 10.670 10.819 ( 5.249 2.196 6.698) 8.789 10.995 ( 2.439 -1.477 -3.176) 4.268 11.073 ( 3.203 -0.267 -4.045) 5.166 11.168 ( -0.070 -5.090 0.695) 5.138 11.196 ( -0.271 -4.892 -0.373) 4.914 12.879 ( -16.666 5.440 3.883) 17.956 13.051 ( -5.264 7.627 2.011) 9.482 13.134 ( -8.361 1.190 -2.925) 8.937 13.355 ( -19.205 2.217 -15.498) 24.778 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.38 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 1.528 6.960 1.234) 7.232 1.737 ( -0.055 -0.790 -1.373) 1.585 1.825 ( 0.087 -0.287 -3.167) 3.181 1.882 ( -5.394 1.968 -3.734) 6.849 1.989 ( -5.716 4.486 4.038) 8.313 2.106 ( -8.421 12.474 -7.364) 16.756 2.417 ( 4.379 -6.741 1.844) 8.247 2.491 ( 1.456 -1.546 3.545) 4.132 2.537 ( 7.223 -6.917 2.939) 10.424 2.648 ( 2.387 -10.608 2.059) 11.066 2.750 ( 3.195 -9.026 -1.117) 9.640 2.919 ( -6.957 -11.933 -5.637) 14.919 3.058 ( 8.279 -0.384 3.592) 9.033 3.210 ( 5.913 5.197 -0.165) 7.874 3.291 ( 9.871 2.189 4.226) 10.958 3.392 ( 3.797 -0.684 4.129) 5.651 3.414 ( 6.615 -3.719 5.633) 9.451 3.663 ( -0.128 2.299 2.156) 3.154 3.793 ( -0.440 0.238 2.474) 2.524 3.831 ( -4.401 1.008 -5.476) 7.097 3.900 ( -0.057 1.505 -0.096) 1.509 4.012 ( -5.676 2.238 0.331) 6.110 4.203 ( -7.158 3.549 -11.953) 14.377 4.402 ( -4.996 10.945 -9.460) 15.305 4.466 ( -0.822 11.034 -0.607) 11.082 4.527 ( -9.620 5.065 -10.541) 15.143 4.643 ( 4.318 11.845 -2.870) 12.930 5.002 ( 1.699 2.851 -3.122) 4.556 5.038 ( -9.455 6.177 -8.534) 14.155 5.154 ( -7.651 2.579 -9.367) 12.367 5.259 ( 2.908 -2.222 1.323) 3.891 5.558 ( -6.765 0.677 -4.947) 8.408 5.603 ( -4.539 3.771 -2.190) 6.294 5.698 ( -5.630 3.789 -1.556) 6.962 5.768 ( 1.996 1.441 1.960) 3.147 5.915 ( 0.662 3.477 0.310) 3.553 5.964 ( -7.242 4.842 -3.686) 9.459 6.042 ( -1.116 0.515 -3.948) 4.134 6.156 ( -8.921 10.619 -4.970) 14.732 6.247 ( -9.124 9.833 -7.773) 15.504 6.956 ( 7.163 -11.395 10.187) 16.880 7.097 ( 2.110 -11.292 5.107) 12.572 8.599 ( 27.823 4.111 27.877) 39.600 8.942 ( 5.705 -27.642 5.126) 28.687 9.253 ( 2.039 3.121 1.825) 4.151 9.312 ( -5.559 -15.665 -5.410) 17.480 9.641 ( 28.823 -7.820 29.530) 41.999 10.288 ( 1.487 2.329 2.113) 3.479 10.343 ( 4.200 -2.718 3.745) 6.249 10.457 ( -3.652 5.630 -3.113) 7.398 10.829 ( 6.903 -3.555 6.860) 10.361 10.925 ( 5.250 1.546 5.068) 7.459 11.020 ( -0.153 -1.805 -1.027) 2.082 11.102 ( -0.660 -0.277 -0.769) 1.051 11.166 ( -0.061 -5.631 0.192) 5.635 11.183 ( -0.962 -5.894 -0.172) 5.975 12.594 ( -8.830 8.364 -9.604) 15.498 12.940 ( -18.791 4.609 -19.262) 27.301 12.950 ( -4.703 5.027 -4.672) 8.319 12.982 ( -7.271 1.710 -7.001) 10.238 ======================= Grid point 202 (70/100) ======================= q-point: (-0.50 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -5.091 2.745 -4.485) 7.319 1.675 ( 5.091 2.745 -4.485) 7.319 1.827 ( -1.117 0.060 -0.298) 1.158 1.827 ( 1.117 0.060 -0.298) 1.158 1.969 ( -4.104 11.968 -2.602) 12.917 1.969 ( 4.104 11.968 -2.602) 12.917 2.487 ( -2.020 -3.737 5.079) 6.621 2.487 ( 2.020 -3.737 5.079) 6.621 2.656 ( -2.703 -14.098 6.426) 15.727 2.656 ( 2.703 -14.098 6.426) 15.727 2.793 ( -3.975 -9.211 -7.145) 12.317 2.793 ( 3.975 -9.211 -7.145) 12.317 3.221 ( -5.419 1.834 2.151) 6.112 3.221 ( 5.419 1.834 2.151) 6.112 3.440 ( -3.355 -2.077 8.326) 9.214 3.440 ( 3.355 -2.077 8.326) 9.214 3.554 ( -12.488 2.283 2.474) 12.934 3.554 ( 12.488 2.283 2.474) 12.934 3.814 ( -4.128 6.465 -0.807) 7.713 3.814 ( 4.128 6.465 -0.807) 7.713 3.955 ( -9.062 -2.573 -10.822) 14.348 3.955 ( 9.062 -2.573 -10.822) 14.348 4.094 ( -9.448 0.777 -15.736) 18.371 4.094 ( 9.448 0.777 -15.736) 18.371 4.498 ( -1.476 15.448 -4.769) 16.235 4.498 ( 1.476 15.448 -4.769) 16.235 4.819 ( -10.303 7.327 -2.624) 12.912 4.819 ( 10.303 7.327 -2.624) 12.912 5.055 ( -3.497 2.915 -6.729) 8.124 5.055 ( 3.497 2.915 -6.729) 8.124 5.392 ( -8.882 -3.560 -1.837) 9.744 5.392 ( 8.882 -3.560 -1.837) 9.744 5.588 ( -3.034 7.406 -0.442) 8.016 5.588 ( 3.034 7.406 -0.442) 8.016 5.834 ( -3.611 0.714 -0.008) 3.681 5.834 ( 3.611 0.714 -0.008) 3.681 5.993 ( -4.773 5.690 -0.335) 7.434 5.993 ( 4.773 5.690 -0.335) 7.434 6.111 ( -4.685 9.590 -8.175) 13.444 6.111 ( 4.685 9.590 -8.175) 13.444 7.077 ( -4.004 -11.689 8.893) 15.223 7.077 ( 4.004 -11.689 8.893) 15.223 8.993 ( -6.373 -17.514 10.335) 21.312 8.993 ( 6.373 -17.514 10.335) 21.312 9.207 ( -3.479 -0.925 6.710) 7.615 9.207 ( 3.479 -0.925 6.710) 7.615 10.161 ( -19.383 -7.482 25.075) 32.564 10.161 ( 19.383 -7.482 25.075) 32.564 10.362 ( -4.497 6.569 -2.315) 8.290 10.362 ( 4.497 6.569 -2.315) 8.290 10.976 ( -4.651 -2.899 1.692) 5.736 10.976 ( 4.651 -2.899 1.692) 5.736 11.036 ( -5.476 0.060 3.063) 6.275 11.036 ( 5.476 0.060 3.063) 6.275 11.168 ( -0.360 -6.045 -0.561) 6.082 11.168 ( 0.360 -6.045 -0.561) 6.082 12.610 ( -10.479 8.193 -21.411) 25.207 12.610 ( 10.479 8.193 -21.411) 25.207 12.908 ( -0.591 2.563 -7.413) 7.866 12.908 ( 0.591 2.563 -7.413) 7.866 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 0.000 1.872 -1.182) 2.214 1.609 ( 0.000 -2.510 -3.330) 4.170 1.828 ( 0.000 -1.478 -1.979) 2.470 1.965 ( 0.000 -5.056 -3.204) 5.986 2.079 ( 0.000 -7.332 2.079) 7.620 2.112 ( 0.000 -6.206 -5.562) 8.334 2.244 ( 0.000 0.897 1.705) 1.927 2.276 ( 0.000 0.272 -7.015) 7.020 2.602 ( 0.000 -1.525 4.500) 4.751 2.661 ( 0.000 -3.089 6.319) 7.033 2.870 ( 0.000 14.268 0.102) 14.268 2.883 ( 0.000 6.452 1.390) 6.600 3.110 ( 0.000 0.188 -3.564) 3.569 3.158 ( 0.000 0.339 -8.285) 8.292 3.237 ( 0.000 8.357 5.384) 9.941 3.267 ( 0.000 -1.511 -4.531) 4.777 3.435 ( 0.000 -0.302 -0.753) 0.812 3.440 ( 0.000 -2.079 5.747) 6.112 3.466 ( 0.000 1.059 -2.551) 2.762 3.709 ( 0.000 -6.339 6.651) 9.188 3.843 ( 0.000 2.839 17.290) 17.522 3.971 ( 0.000 -1.137 9.475) 9.543 4.407 ( 0.000 15.461 3.966) 15.961 4.748 ( 0.000 7.541 -5.343) 9.242 4.794 ( 0.000 17.855 -1.286) 17.901 4.912 ( 0.000 -3.312 10.446) 10.959 4.994 ( 0.000 0.857 -14.965) 14.990 5.148 ( 0.000 0.734 3.249) 3.330 5.381 ( 0.000 1.415 6.689) 6.837 5.480 ( 0.000 -3.999 2.871) 4.922 5.581 ( 0.000 -2.933 -0.619) 2.997 5.616 ( 0.000 6.155 -4.739) 7.768 5.796 ( 0.000 -1.716 6.739) 6.954 5.936 ( 0.000 -5.981 1.768) 6.237 6.245 ( 0.000 -5.517 1.081) 5.622 6.247 ( 0.000 7.288 11.971) 14.015 6.286 ( 0.000 9.795 0.312) 9.800 6.367 ( 0.000 15.697 10.009) 18.617 6.694 ( 0.000 0.814 13.151) 13.176 6.791 ( 0.000 13.204 -4.714) 14.021 7.003 ( 0.000 11.927 13.358) 17.908 7.422 ( 0.000 -12.358 -3.162) 12.756 7.511 ( 0.000 5.646 -25.548) 26.164 7.873 ( 0.000 -7.639 -24.148) 25.328 8.334 ( 0.000 1.343 -0.274) 1.371 8.530 ( 0.000 -18.580 6.975) 19.846 8.729 ( 0.000 -11.795 -10.694) 15.921 8.971 ( 0.000 -34.314 -13.305) 36.803 10.636 ( 0.000 0.493 8.019) 8.034 10.647 ( 0.000 1.385 6.734) 6.875 10.726 ( 0.000 7.094 4.369) 8.331 10.838 ( 0.000 4.093 -4.570) 6.135 10.883 ( 0.000 0.300 -3.857) 3.869 10.938 ( 0.000 0.723 -4.349) 4.408 11.047 ( 0.000 -7.446 1.018) 7.515 11.088 ( 0.000 -5.739 -1.140) 5.851 13.340 ( 0.000 3.568 9.357) 10.014 13.377 ( 0.000 1.413 3.591) 3.859 13.409 ( 0.000 11.633 4.066) 12.323 13.749 ( 0.000 -4.478 -8.019) 9.185 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.12 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 4.593 0.717 -2.142) 5.118 1.673 ( 5.238 -1.666 -5.732) 7.941 1.815 ( -1.116 1.140 -0.055) 1.596 1.990 ( 1.467 -3.392 -3.385) 5.012 2.119 ( 1.429 -6.439 -5.158) 8.373 2.141 ( 5.746 -6.972 1.584) 9.173 2.274 ( 1.590 1.826 4.131) 4.788 2.326 ( 3.748 -0.982 -5.093) 6.399 2.559 ( -5.826 -1.509 6.484) 8.846 2.622 ( -3.232 -0.201 5.899) 6.729 2.753 ( -8.425 8.375 -0.602) 11.895 2.917 ( -1.623 7.849 0.479) 8.029 3.002 ( -0.878 4.130 -0.597) 4.264 3.037 ( -4.820 -0.293 -10.104) 11.198 3.167 ( -5.714 -3.516 1.851) 6.960 3.185 ( -4.007 -5.118 -2.988) 7.154 3.423 ( -1.259 -2.275 10.054) 10.385 3.570 ( 3.929 -4.844 4.202) 7.520 3.599 ( 9.542 5.968 0.625) 11.272 3.826 ( 5.053 -3.372 -6.040) 8.566 3.916 ( 9.616 5.861 17.990) 21.224 4.033 ( 4.852 -1.091 4.941) 7.010 4.415 ( 0.874 15.899 6.719) 17.282 4.658 ( -6.958 8.017 -6.307) 12.347 4.790 ( -1.354 16.146 -5.080) 16.981 4.902 ( -2.440 -0.679 5.480) 6.037 5.005 ( 1.246 0.174 -7.781) 7.882 5.097 ( -4.848 2.158 5.009) 7.297 5.310 ( -7.787 -0.798 6.852) 10.403 5.393 ( -9.610 0.643 0.260) 9.635 5.518 ( 3.438 -1.546 1.057) 3.916 5.657 ( 0.386 0.927 -4.141) 4.261 5.760 ( -2.031 3.731 1.292) 4.440 5.992 ( 1.078 -5.882 1.035) 6.069 6.055 ( -10.032 7.326 6.250) 13.906 6.168 ( -8.856 2.541 -3.077) 9.714 6.240 ( -5.939 2.890 1.872) 6.865 6.416 ( 6.469 9.408 5.814) 12.813 6.636 ( -9.874 -3.488 0.886) 10.509 6.795 ( -6.367 19.768 -6.491) 21.758 6.886 ( -13.661 10.511 -13.128) 21.666 7.217 ( -12.226 -1.212 -8.434) 14.902 7.526 ( 13.427 1.505 12.860) 18.653 8.017 ( 11.597 -24.423 6.458) 27.797 8.482 ( 12.616 -12.470 11.342) 21.055 8.733 ( 20.694 2.721 -8.130) 22.400 8.941 ( 0.498 -32.371 -9.107) 33.631 9.170 ( 29.610 -9.793 -17.401) 35.714 10.568 ( -4.293 4.567 6.266) 8.863 10.666 ( 0.948 -1.312 8.134) 8.294 10.755 ( -4.723 4.458 -3.731) 7.490 10.784 ( 3.883 4.926 4.833) 7.918 10.906 ( 0.979 -2.426 -3.315) 4.223 11.001 ( 4.293 1.052 -4.376) 6.220 11.049 ( 0.205 -7.070 1.097) 7.158 11.101 ( 1.040 -4.510 -1.449) 4.850 13.244 ( -9.255 3.924 8.223) 12.987 13.310 ( -6.323 0.841 2.417) 6.822 13.354 ( -5.142 11.228 1.771) 12.475 13.649 ( -9.621 -3.161 -9.244) 13.712 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.25 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 5.463 -0.474 -3.081) 6.290 1.757 ( 1.271 -4.606 -8.219) 9.507 1.793 ( 0.065 11.498 1.705) 11.624 1.996 ( -0.871 0.989 -3.289) 3.543 2.179 ( 3.798 -7.097 -4.081) 9.025 2.238 ( -5.311 3.889 7.729) 10.152 2.261 ( 3.334 -2.281 0.564) 4.079 2.361 ( -1.579 -1.915 -2.487) 3.514 2.443 ( 0.219 -10.660 5.603) 12.045 2.592 ( 0.094 0.779 3.530) 3.616 2.612 ( -5.525 3.346 -0.217) 6.463 2.756 ( -9.317 -6.909 -3.954) 12.255 3.065 ( 2.657 4.145 4.159) 6.445 3.086 ( 6.541 0.880 -3.124) 7.302 3.148 ( 6.146 -1.587 -1.081) 6.439 3.194 ( 5.313 0.138 -0.594) 5.348 3.396 ( -1.120 -0.407 12.245) 12.303 3.600 ( 1.257 -6.917 9.187) 11.568 3.751 ( 4.428 3.850 -3.682) 6.927 3.867 ( 0.451 -1.069 -3.153) 3.359 3.999 ( -2.395 2.517 1.922) 3.970 4.127 ( -0.577 -3.190 -1.911) 3.763 4.451 ( -1.148 13.131 -5.090) 14.130 4.563 ( 3.185 12.889 6.860) 14.944 4.684 ( -9.291 2.888 -14.989) 17.870 4.861 ( -0.446 8.423 4.573) 9.594 4.925 ( -9.187 7.155 2.592) 11.930 5.058 ( 1.052 2.467 0.870) 2.819 5.143 ( -6.195 -3.929 2.637) 7.796 5.290 ( -2.290 3.911 -5.799) 7.359 5.505 ( -9.093 2.074 -7.088) 11.715 5.614 ( -3.351 1.306 -7.558) 8.370 5.755 ( 0.326 4.320 2.373) 4.939 5.874 ( -6.505 6.984 0.468) 9.556 5.953 ( -1.535 -2.266 2.451) 3.674 5.998 ( -10.274 1.414 -5.497) 11.738 6.111 ( -4.619 3.526 -5.981) 8.339 6.238 ( -16.389 4.548 -10.183) 19.823 6.554 ( 6.710 8.959 7.423) 13.431 6.723 ( -5.094 -9.611 -4.426) 11.744 6.743 ( -11.407 16.641 -3.766) 20.524 6.890 ( -4.131 15.627 -3.555) 16.550 8.036 ( 25.855 -6.804 22.828) 35.155 8.169 ( 4.137 -39.882 9.711) 41.255 8.866 ( 15.542 -14.685 12.584) 24.810 8.908 ( 12.026 -19.433 9.862) 24.890 9.242 ( 21.438 13.122 -9.787) 26.973 9.761 ( 26.368 -11.536 -11.378) 30.948 10.484 ( -3.718 6.385 5.100) 8.978 10.661 ( -4.066 5.871 -3.654) 8.022 10.688 ( 0.833 -3.714 8.852) 9.636 10.869 ( 4.202 2.782 4.828) 6.979 10.922 ( 0.602 -5.836 -2.030) 6.208 11.055 ( 0.350 -6.108 1.310) 6.256 11.073 ( 2.472 0.346 -3.374) 4.197 11.117 ( 0.286 -2.615 -1.308) 2.938 13.002 ( -13.514 6.524 2.666) 15.241 13.146 ( -9.125 -0.419 -1.164) 9.208 13.216 ( -8.210 8.451 -2.844) 12.120 13.385 ( -15.951 0.169 -12.654) 20.361 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.38 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 1.438 1.850 -0.925) 2.519 1.754 ( 0.773 4.776 -0.494) 4.863 1.815 ( 1.146 5.105 -4.579) 6.952 1.948 ( -4.491 4.498 -0.334) 6.365 2.128 ( -2.233 5.108 3.377) 6.517 2.235 ( -0.359 -9.539 -4.830) 10.697 2.273 ( -0.848 -1.403 -4.219) 4.526 2.353 ( 3.173 -3.591 3.126) 5.721 2.463 ( -2.495 -10.655 1.861) 11.100 2.533 ( -4.144 -0.918 -0.443) 4.267 2.583 ( 1.944 -3.248 2.175) 4.366 2.665 ( -0.842 -10.126 1.506) 10.272 3.110 ( 4.442 5.418 7.298) 10.116 3.279 ( 7.879 1.612 1.348) 8.154 3.306 ( 6.343 -0.408 2.847) 6.964 3.339 ( 7.466 -3.390 3.053) 8.749 3.411 ( 5.064 2.869 5.712) 8.155 3.643 ( 4.098 -5.083 2.966) 7.171 3.797 ( -0.240 1.942 -5.116) 5.477 3.859 ( -1.012 1.115 -4.646) 4.884 3.924 ( -2.847 0.799 -7.099) 7.690 4.018 ( -6.012 -1.714 -5.476) 8.311 4.273 ( -13.671 3.577 -16.952) 22.070 4.413 ( -18.870 -3.194 -21.727) 28.954 4.729 ( 5.321 13.111 8.099) 16.304 4.787 ( 0.606 10.788 2.758) 11.152 4.873 ( 0.754 11.111 -2.030) 11.320 5.024 ( -2.922 0.442 -4.325) 5.238 5.139 ( 3.454 0.259 2.651) 4.362 5.203 ( -6.849 3.155 -6.792) 10.149 5.296 ( -5.625 6.162 -7.524) 11.235 5.500 ( -7.485 -3.481 -8.935) 12.164 5.748 ( -0.850 7.218 -0.590) 7.291 5.799 ( -0.063 2.512 -0.049) 2.513 5.820 ( -6.400 5.499 0.409) 8.448 5.993 ( 0.342 -1.136 -2.849) 3.086 6.011 ( -4.950 7.323 -0.599) 8.859 6.096 ( 1.622 6.118 -0.787) 6.378 6.478 ( -6.571 19.294 -1.543) 20.441 6.621 ( -5.374 15.013 -2.251) 16.104 6.731 ( 5.729 -2.557 7.602) 9.857 6.884 ( 0.067 2.032 1.260) 2.392 8.238 ( 3.846 -43.745 3.797) 44.077 8.362 ( 4.264 -35.049 4.525) 35.596 9.053 ( 16.662 4.701 16.769) 24.103 9.464 ( 28.325 -9.833 29.291) 41.916 9.525 ( 4.984 14.860 4.781) 16.387 10.119 ( 5.904 -13.246 6.334) 15.825 10.445 ( 0.540 7.163 0.433) 7.196 10.582 ( -3.902 7.179 -3.626) 8.940 10.729 ( 4.545 -6.704 4.182) 9.115 10.914 ( -0.927 -8.396 -1.610) 8.599 10.961 ( 4.035 1.436 4.163) 5.973 11.064 ( 0.598 -4.186 1.175) 4.389 11.097 ( -0.008 -0.583 -1.263) 1.391 11.103 ( -1.745 -1.412 0.057) 2.245 12.775 ( -6.888 9.408 -7.683) 13.963 12.984 ( -6.232 -0.717 -6.922) 9.341 13.048 ( -13.597 4.287 -13.434) 19.589 13.049 ( -9.975 4.335 -10.182) 14.898 ======================= Grid point 211 (75/100) ======================= q-point: (-0.50 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( -0.938 5.304 -0.293) 5.394 1.758 ( 0.938 5.304 -0.293) 5.394 1.853 ( -3.477 3.570 -0.116) 4.985 1.853 ( 3.477 3.570 -0.116) 4.985 2.154 ( -3.998 2.642 -3.146) 5.733 2.154 ( 3.998 2.642 -3.146) 5.733 2.346 ( -5.120 -9.847 -2.308) 11.336 2.346 ( 5.120 -9.847 -2.308) 11.336 2.456 ( -3.843 -4.065 3.753) 6.737 2.456 ( 3.843 -4.065 3.753) 6.737 2.635 ( -2.332 -6.135 1.722) 6.786 2.635 ( 2.332 -6.135 1.722) 6.786 3.241 ( -6.731 2.444 7.036) 10.039 3.241 ( 6.731 2.444 7.036) 10.039 3.404 ( -2.237 -2.854 5.007) 6.182 3.404 ( 2.237 -2.854 5.007) 6.182 3.627 ( -13.107 4.910 -1.419) 14.068 3.627 ( 13.107 4.910 -1.419) 14.068 3.825 ( -8.220 -4.274 -0.181) 9.267 3.825 ( 8.220 -4.274 -0.181) 9.266 3.964 ( -11.339 2.899 -16.619) 20.327 3.964 ( 11.339 2.899 -16.619) 20.327 4.072 ( -10.322 -2.378 -18.804) 21.582 4.072 ( 10.322 -2.378 -18.804) 21.582 4.794 ( -3.118 11.619 0.948) 12.068 4.794 ( 3.118 11.619 0.948) 12.068 4.931 ( -5.459 2.820 -4.827) 7.814 4.931 ( 5.459 2.820 -4.827) 7.814 5.160 ( -1.867 7.444 -4.883) 9.097 5.160 ( 1.867 7.444 -4.883) 9.097 5.334 ( -8.071 -2.651 -0.934) 8.546 5.334 ( 8.071 -2.651 -0.934) 8.546 5.741 ( -1.610 7.236 -0.157) 7.415 5.741 ( 1.610 7.236 -0.157) 7.415 5.869 ( -5.536 1.305 -3.659) 6.763 5.869 ( 5.536 1.305 -3.659) 6.763 6.077 ( -3.739 8.092 3.614) 9.619 6.077 ( 3.739 8.092 3.614) 9.619 6.486 ( -5.867 19.682 -2.977) 20.752 6.486 ( 5.867 19.682 -2.977) 20.752 6.844 ( -4.179 -3.244 5.680) 7.762 6.844 ( 4.179 -3.244 5.680) 7.762 8.327 ( -4.566 -43.725 -0.671) 43.968 8.327 ( 4.566 -43.725 -0.671) 43.968 9.407 ( -14.419 14.598 18.846) 27.860 9.407 ( 14.419 14.598 18.846) 27.860 9.967 ( -18.759 -12.439 24.499) 33.268 9.967 ( 18.759 -12.439 24.499) 33.268 10.500 ( -4.070 7.775 -3.532) 9.460 10.500 ( 4.070 7.775 -3.532) 9.460 10.853 ( -5.429 -9.388 -1.151) 10.905 10.853 ( 5.429 -9.388 -1.151) 10.905 11.042 ( -3.687 0.558 2.340) 4.403 11.042 ( 3.688 0.558 2.340) 4.403 11.084 ( -0.982 -2.345 0.440) 2.580 11.084 ( 0.982 -2.345 0.440) 2.580 12.783 ( -7.771 8.689 -16.558) 20.250 12.783 ( 7.771 8.689 -16.558) 20.250 12.946 ( -1.834 0.628 -9.305) 9.504 12.946 ( 1.834 0.628 -9.305) 9.504 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 0.000 -3.198 -6.753) 7.472 1.550 ( 0.000 3.198 -6.753) 7.472 1.870 ( 0.000 -4.671 0.535) 4.701 1.870 ( 0.000 4.671 0.535) 4.701 2.015 ( 0.000 -1.723 -2.802) 3.289 2.015 ( 0.000 1.723 -2.802) 3.289 2.272 ( 0.000 -0.918 -4.824) 4.910 2.272 ( 0.000 0.918 -4.824) 4.910 2.604 ( 0.000 -1.972 8.331) 8.562 2.604 ( 0.000 1.972 8.331) 8.562 3.006 ( 0.000 -4.596 -1.408) 4.807 3.006 ( 0.000 4.596 -1.408) 4.807 3.116 ( 0.000 -5.048 -2.441) 5.607 3.116 ( 0.000 5.048 -2.441) 5.607 3.266 ( 0.000 -2.421 -7.759) 8.128 3.266 ( 0.000 2.421 -7.759) 8.128 3.428 ( 0.000 -2.056 8.583) 8.826 3.428 ( 0.000 2.056 8.583) 8.826 3.573 ( 0.000 -7.116 -0.539) 7.137 3.573 ( 0.000 7.116 -0.539) 7.137 3.923 ( 0.000 -4.078 16.324) 16.826 3.923 ( 0.000 4.078 16.324) 16.826 4.703 ( 0.000 -14.069 7.034) 15.730 4.703 ( 0.000 14.069 7.034) 15.730 4.864 ( 0.000 -4.715 -7.422) 8.793 4.864 ( 0.000 4.715 -7.422) 8.793 5.138 ( 0.000 -4.774 0.992) 4.876 5.138 ( 0.000 4.774 0.992) 4.876 5.397 ( 0.000 -2.631 2.832) 3.865 5.397 ( 0.000 2.631 2.832) 3.865 5.634 ( 0.000 -4.401 -2.241) 4.939 5.634 ( 0.000 4.401 -2.241) 4.939 5.832 ( 0.000 -4.661 4.030) 6.161 5.832 ( 0.000 4.661 4.030) 6.161 6.173 ( 0.000 -0.823 -3.511) 3.606 6.173 ( 0.000 0.823 -3.511) 3.606 6.525 ( 0.000 -1.248 12.924) 12.984 6.525 ( 0.000 1.248 12.924) 12.984 6.930 ( 0.000 -16.258 14.358) 21.690 6.930 ( 0.000 16.258 14.358) 21.690 7.179 ( 0.000 -6.234 4.685) 7.799 7.179 ( 0.000 6.234 4.685) 7.799 7.620 ( 0.000 -9.657 -29.189) 30.745 7.620 ( 0.000 9.657 -29.189) 30.745 8.349 ( 0.000 -15.142 0.821) 15.165 8.349 ( 0.000 15.142 0.821) 15.165 8.593 ( 0.000 -11.056 -12.908) 16.996 8.593 ( 0.000 11.056 -12.908) 16.996 10.646 ( 0.000 -0.473 7.886) 7.900 10.646 ( 0.000 0.473 7.886) 7.900 10.878 ( 0.000 -2.781 -1.080) 2.984 10.878 ( 0.000 2.781 -1.080) 2.984 10.889 ( 0.000 -4.910 -0.836) 4.981 10.889 ( 0.000 4.910 -0.836) 4.981 10.991 ( 0.000 -3.955 -2.842) 4.870 10.991 ( 0.000 3.955 -2.842) 4.870 13.382 ( 0.000 -0.967 7.019) 7.085 13.382 ( 0.000 0.967 7.019) 7.085 13.618 ( 0.000 -9.215 -2.983) 9.686 13.618 ( 0.000 9.215 -2.983) 9.686 ======================= Grid point 218 (77/100) ======================= q-point: ( 0.12 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 3.937 -4.181 -7.763) 9.657 1.595 ( 3.937 4.181 -7.763) 9.657 1.929 ( 5.212 -6.347 1.083) 8.284 1.929 ( 5.212 6.347 1.083) 8.284 2.029 ( 1.643 -0.926 -3.396) 3.884 2.029 ( 1.643 0.926 -3.396) 3.884 2.308 ( 2.513 -1.291 -2.458) 3.745 2.308 ( 2.513 1.291 -2.458) 3.745 2.572 ( -4.409 -2.788 9.886) 11.178 2.572 ( -4.409 2.788 9.886) 11.178 2.911 ( -10.834 -7.395 -2.823) 13.417 2.911 ( -10.834 7.395 -2.823) 13.417 3.064 ( -2.786 -1.167 -4.149) 5.132 3.064 ( -2.786 1.167 -4.149) 5.132 3.122 ( -2.237 -1.760 -3.067) 4.184 3.122 ( -2.237 1.760 -3.067) 4.184 3.450 ( 0.621 -5.171 12.988) 13.993 3.450 ( 0.621 5.171 12.988) 13.993 3.733 ( 7.929 -6.062 -4.164) 10.815 3.733 ( 7.929 6.062 -4.164) 10.815 3.999 ( 6.065 -2.792 9.666) 11.748 3.999 ( 6.065 2.792 9.666) 11.748 4.712 ( 0.429 -11.010 0.240) 11.021 4.712 ( 0.429 11.010 0.240) 11.021 4.821 ( -3.852 -3.610 -0.385) 5.294 4.821 ( -3.852 3.610 -0.385) 5.294 5.123 ( -1.938 -2.687 2.108) 3.927 5.123 ( -1.938 2.687 2.108) 3.927 5.319 ( -7.118 -4.317 2.772) 8.775 5.319 ( -7.118 4.317 2.772) 8.775 5.611 ( 1.374 -6.066 -0.690) 6.258 5.611 ( 1.374 6.066 -0.690) 6.258 5.868 ( 0.300 -6.264 -0.719) 6.312 5.868 ( 0.300 6.264 -0.719) 6.312 6.103 ( -6.723 -2.371 -1.538) 7.293 6.103 ( -6.723 2.371 -1.538) 7.293 6.399 ( -6.696 -8.864 2.260) 11.336 6.399 ( -6.696 8.864 2.260) 11.336 6.846 ( -15.268 -11.980 -5.604) 20.200 6.846 ( -15.268 11.980 -5.604) 20.200 7.324 ( 11.510 -13.058 6.882) 18.717 7.324 ( 11.510 13.058 6.882) 18.717 7.442 ( -5.851 -19.042 -2.141) 20.035 7.442 ( -5.851 19.042 -2.141) 20.035 8.427 ( 8.192 -10.617 5.527) 14.504 8.427 ( 8.192 10.617 5.527) 14.504 8.960 ( 28.065 -11.631 -15.675) 34.185 8.960 ( 28.065 11.631 -15.675) 34.185 10.632 ( -1.329 -2.370 7.684) 8.150 10.632 ( -1.329 2.370 7.684) 8.150 10.835 ( -2.801 -3.653 -2.864) 5.421 10.835 ( -2.801 3.653 -2.864) 5.421 10.909 ( 1.611 -6.739 2.278) 7.293 10.909 ( 1.611 6.739 2.278) 7.293 11.036 ( 3.125 -2.355 -3.292) 5.113 11.036 ( 3.125 2.355 -3.292) 5.113 13.302 ( -7.625 -1.816 5.539) 9.598 13.302 ( -7.625 1.816 5.539) 9.598 13.543 ( -7.199 -7.942 -4.405) 11.589 13.543 ( -7.199 7.942 -4.405) 11.589 ======================= Grid point 220 (78/100) ======================= q-point: ( 0.25 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 4.710 -2.990 -6.618) 8.655 1.685 ( 4.710 2.990 -6.618) 8.655 2.008 ( 1.179 -9.230 -4.529) 10.348 2.008 ( 1.179 9.230 -4.529) 10.348 2.101 ( 4.826 -10.812 -0.650) 11.858 2.101 ( 4.826 10.812 -0.650) 11.858 2.305 ( -4.640 -0.859 2.874) 5.525 2.305 ( -4.640 0.859 2.874) 5.525 2.445 ( -4.034 -8.629 8.779) 12.954 2.445 ( -4.034 8.629 8.779) 12.954 2.704 ( -8.050 -3.004 -3.624) 9.326 2.704 ( -8.050 3.004 -3.624) 9.326 3.099 ( 6.875 -1.954 -1.546) 7.313 3.099 ( 6.875 1.954 -1.546) 7.313 3.171 ( 4.219 -4.301 0.744) 6.071 3.171 ( 4.219 4.301 0.744) 6.071 3.458 ( 1.053 -6.789 11.622) 13.501 3.458 ( 1.053 6.789 11.622) 13.501 3.823 ( 1.794 -3.236 -4.071) 5.501 3.823 ( 1.794 3.236 -4.071) 5.501 4.060 ( -1.657 -3.581 -0.468) 3.973 4.060 ( -1.657 3.581 -0.468) 3.973 4.616 ( -9.946 -6.165 -17.996) 21.466 4.616 ( -9.946 6.165 -17.996) 21.466 4.828 ( 4.344 -10.316 14.088) 17.993 4.828 ( 4.344 10.316 14.088) 17.993 5.039 ( -4.958 -3.819 4.380) 7.639 5.039 ( -4.958 3.819 4.380) 7.639 5.224 ( -2.518 -8.602 -2.989) 9.449 5.224 ( -2.518 8.602 -2.989) 9.449 5.601 ( -6.497 -4.827 -9.294) 12.324 5.601 ( -6.497 4.827 -9.294) 12.324 5.844 ( -0.148 -5.684 3.874) 6.880 5.844 ( -0.148 5.684 3.874) 6.880 5.969 ( -4.725 -3.439 -2.904) 6.526 5.969 ( -4.725 3.439 -2.904) 6.526 6.241 ( -9.222 -6.375 -8.803) 14.254 6.241 ( -9.222 6.375 -8.803) 14.254 6.578 ( -6.719 -1.542 -1.935) 7.160 6.578 ( -6.719 1.542 -1.935) 7.160 7.317 ( -1.487 -38.915 4.534) 39.207 7.317 ( -1.487 38.915 4.534) 39.207 7.564 ( 4.097 -34.501 3.018) 34.875 7.564 ( 4.097 34.501 3.018) 34.875 8.735 ( 22.343 -4.596 20.249) 30.502 8.735 ( 22.343 4.596 20.249) 30.502 9.512 ( 24.157 -14.093 -10.587) 29.904 9.512 ( 24.157 14.093 -10.587) 29.904 10.598 ( -1.804 -5.422 6.851) 8.921 10.598 ( -1.804 5.422 6.851) 8.921 10.784 ( -2.299 -6.899 -2.629) 7.733 10.784 ( -2.299 6.899 -2.629) 7.733 10.949 ( 2.338 -4.675 3.134) 6.095 10.949 ( 2.338 4.675 3.134) 6.095 11.086 ( 1.563 -1.017 -2.522) 3.137 11.086 ( 1.563 1.017 -2.522) 3.137 13.105 ( -10.792 -3.928 0.870) 11.518 13.105 ( -10.792 3.928 0.870) 11.518 13.344 ( -11.996 -4.539 -8.114) 15.177 13.344 ( -11.996 4.539 -8.114) 15.177 ======================= Grid point 222 (79/100) ======================= q-point: ( 0.38 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 4.413 -1.271 -2.457) 5.208 1.777 ( 4.413 1.271 -2.457) 5.208 1.975 ( -4.348 -6.752 -3.053) 8.592 1.975 ( -4.348 6.752 -3.053) 8.592 2.142 ( -0.098 -3.903 -1.007) 4.032 2.142 ( -0.098 3.903 -1.007) 4.032 2.214 ( -2.694 -5.940 1.583) 6.712 2.214 ( -2.694 5.940 1.583) 6.712 2.448 ( 2.974 -5.848 4.901) 8.190 2.448 ( 2.974 5.848 4.901) 8.190 2.592 ( -3.734 -2.633 -1.394) 4.777 2.592 ( -3.734 2.633 -1.394) 4.777 3.230 ( 4.026 -6.139 7.110) 10.220 3.230 ( 4.026 6.139 7.110) 10.220 3.303 ( 8.329 -1.145 1.144) 8.485 3.303 ( 8.329 1.145 1.144) 8.485 3.514 ( 5.369 -7.085 3.897) 9.707 3.514 ( 5.369 7.085 3.897) 9.707 3.843 ( 0.620 -2.263 -5.729) 6.191 3.843 ( 0.620 2.263 -5.729) 6.191 3.965 ( -5.405 -3.151 -7.942) 10.111 3.965 ( -5.405 3.151 -7.942) 10.111 4.344 ( -17.198 -3.804 -20.045) 26.684 4.344 ( -17.198 3.804 -20.045) 26.684 4.877 ( 0.664 -1.709 2.111) 2.797 4.877 ( 0.664 1.709 2.111) 2.797 4.999 ( -1.004 -3.645 0.919) 3.890 4.999 ( -1.004 3.645 0.919) 3.890 5.183 ( 0.466 -4.133 0.104) 4.160 5.183 ( 0.466 4.133 0.104) 4.160 5.422 ( -8.235 -5.464 -10.763) 14.612 5.422 ( -8.235 5.464 -10.763) 14.612 5.817 ( -1.229 -0.639 1.175) 1.816 5.817 ( -1.229 0.639 1.175) 1.816 5.923 ( -3.356 -4.782 -3.464) 6.792 5.923 ( -3.356 4.782 -3.464) 6.792 6.187 ( 5.261 -4.944 1.127) 7.307 6.187 ( 5.261 4.944 1.127) 7.307 6.485 ( -5.100 -6.811 4.651) 9.697 6.485 ( -5.100 6.811 4.651) 9.697 7.337 ( 3.375 -42.508 1.724) 42.677 7.337 ( 3.375 42.508 1.724) 42.677 7.548 ( -4.233 -41.228 -2.672) 41.531 7.548 ( -4.233 41.228 -2.672) 41.531 9.247 ( 26.112 -11.985 26.490) 39.079 9.247 ( 26.112 11.985 26.490) 39.079 9.832 ( 5.233 -16.119 5.567) 17.839 9.832 ( 5.233 16.119 5.567) 17.839 10.587 ( 1.789 -7.647 1.661) 8.027 10.587 ( 1.789 7.647 1.661) 8.027 10.736 ( -2.699 -8.942 -2.829) 9.759 10.736 ( -2.699 8.942 -2.829) 9.759 11.000 ( 2.731 -2.533 2.986) 4.774 11.000 ( 2.731 2.533 2.986) 4.774 11.093 ( -0.847 -0.179 -0.593) 1.049 11.093 ( -0.847 0.179 -0.593) 1.049 12.924 ( -5.817 -5.614 -6.556) 10.408 12.924 ( -5.817 5.614 -6.556) 10.408 13.093 ( -11.933 -0.070 -12.080) 16.980 13.093 ( -11.933 0.070 -12.080) 16.980 ======================= Grid point 224 (80/100) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -4.275 -4.404 -0.051) 6.138 1.871 ( 0.458 -3.857 -0.051) 3.884 1.871 ( -0.458 3.857 -0.051) 3.884 1.871 ( 4.275 4.404 -0.051) 6.138 2.163 ( -1.696 -5.608 -1.086) 5.959 2.163 ( 1.214 -5.577 -1.086) 5.810 2.163 ( -1.214 5.577 -1.086) 5.810 2.163 ( 1.696 5.608 -1.086) 5.959 2.522 ( -3.273 -6.125 1.367) 7.078 2.522 ( 2.524 -6.036 1.367) 6.683 2.522 ( -2.524 6.036 1.367) 6.683 2.522 ( 3.273 6.125 1.367) 7.078 3.323 ( -4.384 -5.135 6.476) 9.355 3.323 ( 4.166 -5.090 6.476) 9.230 3.323 ( -4.166 5.090 6.476) 9.230 3.323 ( 4.384 5.135 6.476) 9.355 3.727 ( -12.104 -5.404 -1.795) 13.377 3.727 ( -10.291 4.365 -1.795) 11.322 3.727 ( 10.291 -4.365 -1.795) 11.322 3.727 ( 12.104 5.404 -1.795) 13.377 4.019 ( -11.327 -2.803 -18.602) 21.959 4.019 ( -10.889 2.329 -18.602) 21.680 4.019 ( 10.889 -2.329 -18.602) 21.680 4.019 ( 11.327 2.803 -18.602) 21.959 4.926 ( -3.917 -3.017 -2.464) 5.524 4.926 ( 0.540 -2.311 -2.464) 3.421 4.926 ( -0.540 2.311 -2.464) 3.421 4.926 ( 3.917 3.017 -2.464) 5.524 5.275 ( -5.941 -3.756 -1.888) 7.278 5.275 ( -1.551 -2.427 -1.888) 3.444 5.275 ( 1.551 2.427 -1.888) 3.444 5.275 ( 5.941 3.756 -1.888) 7.278 5.842 ( -3.341 -3.581 -2.935) 5.710 5.842 ( 3.070 -3.520 -2.935) 5.516 5.842 ( -3.070 3.520 -2.935) 5.516 5.842 ( 3.341 3.581 -2.935) 5.710 6.346 ( -5.503 -17.011 6.232) 18.934 6.346 ( 2.449 -16.832 6.232) 18.115 6.346 ( -2.449 16.832 6.232) 18.115 6.346 ( 5.503 17.011 6.232) 18.934 7.437 ( -5.534 -46.338 -2.112) 46.715 7.437 ( 5.408 -46.334 -2.112) 46.696 7.437 ( -5.408 46.334 -2.112) 46.696 7.437 ( 5.534 46.338 -2.112) 46.715 9.698 ( -16.754 -15.147 21.906) 31.464 9.698 ( 16.681 -15.127 21.906) 31.416 9.698 ( -16.681 15.127 21.906) 31.416 9.698 ( 16.754 15.147 21.906) 31.464 10.665 ( -4.470 -9.469 -3.065) 10.910 10.665 ( 4.434 -9.464 -3.065) 10.892 10.665 ( -4.434 9.464 -3.065) 10.892 10.665 ( 4.470 9.469 -3.065) 10.910 11.056 ( -2.587 -0.930 1.614) 3.188 11.056 ( -2.223 0.654 1.614) 2.824 11.056 ( 2.223 -0.654 1.614) 2.824 11.056 ( 2.587 0.930 1.614) 3.188 12.912 ( -4.830 -4.355 -12.373) 13.978 12.912 ( 4.344 -4.225 -12.373) 13.777 12.912 ( -4.344 4.225 -12.373) 13.777 12.912 ( 4.830 4.355 -12.373) 13.978 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 0.000 0.000 -7.107) 7.107 1.854 ( 0.000 0.000 7.107) 7.107 1.931 ( 0.000 0.000 -16.734) 16.734 1.931 ( 0.000 0.000 16.734) 16.734 2.136 ( 0.000 0.000 -7.338) 7.338 2.136 ( 0.000 0.000 7.338) 7.338 2.155 ( 0.000 0.000 -2.076) 2.076 2.155 ( 0.000 0.000 2.076) 2.076 2.573 ( 0.000 0.000 -3.038) 3.038 2.573 ( 0.000 0.000 3.038) 3.038 2.731 ( 0.000 0.000 -0.430) 0.430 2.731 ( 0.000 0.000 0.430) 0.430 3.017 ( 0.000 0.000 -5.769) 5.769 3.017 ( 0.000 0.000 5.769) 5.769 3.146 ( 0.000 0.000 -8.959) 8.959 3.146 ( 0.000 0.000 8.959) 8.959 3.583 ( 0.000 0.000 -13.225) 13.225 3.583 ( 0.000 0.000 13.225) 13.225 3.605 ( 0.000 0.000 -0.146) 0.146 3.605 ( 0.000 0.000 0.146) 0.146 4.102 ( 0.000 0.000 -3.439) 3.439 4.102 ( 0.000 0.000 3.439) 3.439 4.187 ( 0.000 0.000 -7.434) 7.434 4.187 ( 0.000 0.000 7.434) 7.434 4.460 ( 0.000 0.000 -30.272) 30.272 4.460 ( 0.000 0.000 30.272) 30.272 5.166 ( 0.000 0.000 -12.646) 12.646 5.166 ( 0.000 0.000 12.646) 12.646 5.477 ( 0.000 0.000 -5.899) 5.899 5.477 ( 0.000 0.000 5.899) 5.899 5.627 ( 0.000 0.000 -4.763) 4.763 5.627 ( 0.000 0.000 4.763) 4.763 5.791 ( 0.000 0.000 -0.934) 0.934 5.791 ( 0.000 0.000 0.934) 0.934 6.060 ( 0.000 0.000 -5.682) 5.682 6.060 ( 0.000 0.000 5.682) 5.682 6.602 ( 0.000 0.000 -6.110) 6.110 6.602 ( 0.000 0.000 6.110) 6.110 6.639 ( 0.000 0.000 -18.192) 18.192 6.639 ( 0.000 0.000 18.192) 18.192 7.244 ( 0.000 0.000 -21.940) 21.940 7.244 ( 0.000 0.000 21.940) 21.940 7.256 ( 0.000 0.000 -27.303) 27.303 7.256 ( 0.000 0.000 27.303) 27.303 8.577 ( 0.000 0.000 -18.443) 18.443 8.577 ( 0.000 0.000 18.443) 18.443 9.622 ( 0.000 0.000 -16.041) 16.041 9.622 ( 0.000 0.000 16.041) 16.041 10.528 ( 0.000 0.000 -4.702) 4.702 10.528 ( 0.000 0.000 4.702) 4.702 10.772 ( 0.000 0.000 -5.928) 5.928 10.772 ( 0.000 0.000 5.928) 5.928 10.829 ( 0.000 0.000 -6.126) 6.126 10.829 ( 0.000 0.000 6.126) 6.126 11.229 ( 0.000 0.000 -0.761) 0.761 11.229 ( 0.000 0.000 0.761) 0.761 13.253 ( 0.000 0.000 -6.038) 6.038 13.253 ( 0.000 0.000 6.038) 6.038 13.545 ( 0.000 0.000 -13.414) 13.414 13.545 ( 0.000 0.000 13.414) 13.414 ======================= Grid point 254 (82/100) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -0.172 0.000 -9.852) 9.854 1.870 ( -0.172 0.000 9.852) 9.854 1.908 ( -2.339 0.000 -15.044) 15.225 1.908 ( -2.339 0.000 15.044) 15.225 2.135 ( 0.099 0.000 -6.602) 6.603 2.135 ( 0.099 0.000 6.602) 6.603 2.238 ( 7.681 0.000 -2.997) 8.245 2.238 ( 7.681 0.000 2.997) 8.245 2.537 ( -4.069 0.000 -1.121) 4.220 2.537 ( -4.069 0.000 1.121) 4.220 2.769 ( 3.790 0.000 -2.513) 4.547 2.769 ( 3.790 0.000 2.513) 4.547 2.806 ( -5.826 0.000 -10.556) 12.057 2.806 ( -5.826 0.000 10.556) 12.057 3.382 ( 7.078 0.000 -2.254) 7.428 3.382 ( 7.078 0.000 2.254) 7.428 3.593 ( 0.866 0.000 -12.730) 12.760 3.593 ( 0.866 0.000 12.730) 12.760 3.616 ( 4.578 0.000 -4.768) 6.610 3.616 ( 4.578 0.000 4.768) 6.610 4.163 ( 4.643 0.000 -4.586) 6.527 4.163 ( 4.643 0.000 4.586) 6.527 4.172 ( -1.343 0.000 -6.728) 6.861 4.172 ( -1.343 0.000 6.728) 6.861 4.459 ( 0.570 0.000 -30.895) 30.900 4.459 ( 0.570 0.000 30.895) 30.900 5.018 ( -14.878 0.000 -14.758) 20.956 5.018 ( -14.878 0.000 14.758) 20.956 5.395 ( -7.360 0.000 -9.045) 11.661 5.395 ( -7.360 0.000 9.045) 11.661 5.601 ( -3.334 0.000 -2.585) 4.219 5.601 ( -3.334 0.000 2.585) 4.219 5.787 ( -0.866 0.000 -3.350) 3.460 5.787 ( -0.866 0.000 3.350) 3.460 6.010 ( -3.849 0.000 -8.709) 9.521 6.010 ( -3.849 0.000 8.709) 9.521 6.201 ( -25.030 0.000 -12.654) 28.046 6.201 ( -25.030 0.000 12.654) 28.046 6.604 ( -3.967 0.000 -6.834) 7.902 6.604 ( -3.967 0.000 6.834) 7.902 7.067 ( -9.578 0.000 -13.532) 16.578 7.067 ( -9.578 0.000 13.532) 16.578 7.780 ( 35.744 0.000 -28.121) 45.480 7.780 ( 35.744 0.000 28.121) 45.480 8.911 ( 27.285 0.000 -24.659) 36.777 8.911 ( 27.285 0.000 24.659) 36.777 9.599 ( -1.771 0.000 -14.576) 14.683 9.599 ( -1.771 0.000 14.576) 14.683 10.474 ( -4.408 0.000 -4.617) 6.384 10.474 ( -4.408 0.000 4.617) 6.384 10.824 ( 4.226 0.000 -6.033) 7.366 10.824 ( 4.226 0.000 6.033) 7.366 10.870 ( 3.778 0.000 -6.836) 7.811 10.870 ( 3.778 0.000 6.836) 7.811 11.231 ( 0.197 0.000 -0.788) 0.812 11.231 ( 0.197 0.000 0.788) 0.812 13.196 ( -5.503 0.000 -5.320) 7.654 13.196 ( -5.503 0.000 5.320) 7.654 13.402 ( -13.917 0.000 -13.434) 19.343 13.402 ( -13.917 0.000 13.434) 19.343 ======================= Grid point 256 (83/100) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -7.330 0.000 -12.731) 14.690 1.789 ( -7.330 0.000 12.731) 14.690 1.840 ( -4.189 0.000 -9.924) 10.772 1.840 ( -4.189 0.000 9.924) 10.772 2.106 ( -4.441 0.000 -6.051) 7.506 2.106 ( -4.441 0.000 6.051) 7.506 2.422 ( 9.368 0.000 -3.030) 9.846 2.422 ( 9.368 0.000 3.030) 9.846 2.503 ( 3.948 0.000 -5.733) 6.961 2.503 ( 3.948 0.000 5.733) 6.961 2.838 ( 6.046 0.000 -9.697) 11.428 2.838 ( 6.046 0.000 9.697) 11.428 2.878 ( 6.646 0.000 -4.825) 8.213 2.878 ( 6.646 0.000 4.825) 8.213 3.401 ( -0.458 0.000 -2.657) 2.696 3.401 ( -0.458 0.000 2.657) 2.696 3.613 ( 1.067 0.000 -11.236) 11.287 3.613 ( 1.067 0.000 11.236) 11.287 3.755 ( 4.841 0.000 -4.076) 6.328 3.755 ( 4.841 0.000 4.076) 6.328 4.137 ( -2.211 0.000 -2.966) 3.700 4.137 ( -2.211 0.000 2.966) 3.700 4.204 ( -2.172 0.000 -4.936) 5.392 4.204 ( -2.172 0.000 4.936) 5.392 4.534 ( 7.418 0.000 -25.366) 26.428 4.534 ( 7.418 0.000 25.366) 26.428 4.603 ( -23.804 0.000 -15.135) 28.208 4.603 ( -23.804 0.000 15.135) 28.208 5.194 ( -12.138 0.000 -9.789) 15.594 5.194 ( -12.138 0.000 9.789) 15.594 5.508 ( -4.468 0.000 -11.363) 12.210 5.508 ( -4.468 0.000 11.363) 12.210 5.698 ( -9.291 0.000 -10.287) 13.862 5.698 ( -9.291 0.000 10.287) 13.862 5.886 ( -5.083 0.000 -6.323) 8.113 5.886 ( -5.083 0.000 6.323) 8.113 5.942 ( -2.708 0.000 -8.727) 9.137 5.942 ( -2.708 0.000 8.727) 9.137 6.360 ( -15.738 0.000 -6.525) 17.037 6.360 ( -15.738 0.000 6.525) 17.037 7.080 ( 7.221 0.000 -4.886) 8.719 7.080 ( 7.221 0.000 4.886) 8.719 8.475 ( 31.867 0.000 -25.406) 40.755 8.475 ( 31.867 0.000 25.406) 40.755 9.385 ( 7.716 0.000 -19.282) 20.769 9.385 ( 7.716 0.000 19.282) 20.769 9.691 ( 21.468 0.000 -17.180) 27.496 9.691 ( 21.468 0.000 17.180) 27.496 10.374 ( -5.296 0.000 -4.734) 7.104 10.374 ( -5.296 0.000 4.734) 7.104 10.914 ( 4.363 0.000 -5.393) 6.937 10.914 ( 4.363 0.000 5.393) 6.937 10.960 ( 4.636 0.000 -7.402) 8.734 10.960 ( 4.636 0.000 7.402) 8.734 11.237 ( 0.360 0.000 -0.831) 0.905 11.237 ( 0.360 0.000 0.831) 0.905 13.014 ( -23.643 0.000 -13.496) 27.223 13.014 ( -23.643 0.000 13.496) 27.223 13.047 ( -8.673 0.000 -3.535) 9.366 13.047 ( -8.673 0.000 3.535) 9.366 ======================= Grid point 258 (84/100) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -6.940 0.000 -9.420) 11.700 1.632 ( -6.940 0.000 9.420) 11.700 1.756 ( -3.624 0.000 -4.557) 5.823 1.756 ( -3.624 0.000 4.557) 5.823 2.004 ( -4.051 0.000 -3.346) 5.254 2.004 ( -4.051 0.000 3.346) 5.254 2.579 ( 5.743 0.000 -2.180) 6.143 2.579 ( 5.743 0.000 2.180) 6.143 2.647 ( 7.637 0.000 -2.820) 8.141 2.647 ( 7.637 0.000 2.820) 8.141 2.954 ( 4.302 0.000 -8.295) 9.344 2.954 ( 4.302 0.000 8.295) 9.344 3.005 ( 5.059 0.000 -4.531) 6.791 3.005 ( 5.059 0.000 4.531) 6.791 3.450 ( 5.431 0.000 -8.397) 10.001 3.450 ( 5.431 0.000 8.397) 10.001 3.642 ( 2.309 0.000 -8.230) 8.548 3.642 ( 2.309 0.000 8.230) 8.548 3.780 ( -1.060 0.000 -8.588) 8.653 3.780 ( -1.060 0.000 8.588) 8.653 4.025 ( -11.809 0.000 -8.192) 14.372 4.025 ( -11.809 0.000 8.192) 14.372 4.075 ( -9.812 0.000 -5.057) 11.039 4.075 ( -9.812 0.000 5.057) 11.039 4.236 ( -7.620 0.000 -7.716) 10.844 4.236 ( -7.620 0.000 7.716) 10.844 4.691 ( 5.909 0.000 -14.136) 15.322 4.691 ( 5.909 0.000 14.136) 15.322 4.980 ( -6.865 0.000 -3.304) 7.619 4.980 ( -6.865 0.000 3.304) 7.619 5.455 ( -0.848 0.000 -11.150) 11.182 5.455 ( -0.848 0.000 11.150) 11.182 5.522 ( -6.559 0.000 -3.126) 7.265 5.522 ( -6.559 0.000 3.126) 7.265 5.852 ( -0.365 0.000 -3.280) 3.300 5.852 ( -0.365 0.000 3.280) 3.300 5.890 ( -2.851 0.000 -6.880) 7.447 5.890 ( -2.851 0.000 6.880) 7.447 6.099 ( -8.894 0.000 -1.721) 9.060 6.099 ( -8.894 0.000 1.721) 9.060 7.231 ( 6.255 0.000 -3.868) 7.355 7.231 ( 6.255 0.000 3.868) 7.355 9.013 ( 20.360 0.000 -16.709) 26.339 9.013 ( 20.360 0.000 16.709) 26.339 9.372 ( -2.725 0.000 -8.540) 8.964 9.372 ( -2.725 0.000 8.540) 8.964 10.260 ( 26.988 0.000 -20.092) 33.646 10.260 ( 26.988 0.000 20.092) 33.646 10.269 ( -4.809 0.000 -4.417) 6.530 10.269 ( -4.809 0.000 4.417) 6.530 10.989 ( 2.797 0.000 -3.256) 4.292 10.989 ( 2.797 0.000 3.256) 4.292 11.043 ( 3.461 0.000 -5.990) 6.917 11.043 ( 3.461 0.000 5.990) 6.917 11.245 ( 0.388 0.000 -0.678) 0.781 11.245 ( 0.388 0.000 0.678) 0.781 12.511 ( -23.955 0.000 -11.757) 26.685 12.511 ( -23.955 0.000 11.757) 26.685 12.880 ( -7.013 0.000 -1.562) 7.184 12.880 ( -7.013 0.000 1.562) 7.184 ======================= Grid point 260 (85/100) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 0.000 0.000 0.000) 0.000 1.555 ( 0.000 0.000 0.000) 0.000 1.716 ( 0.000 0.000 0.000) 0.000 1.716 ( 0.000 0.000 0.000) 0.000 1.964 ( 0.000 0.000 -0.000) 0.000 1.964 ( 0.000 0.000 0.000) 0.000 2.639 ( 0.000 0.000 -0.000) 0.000 2.639 ( 0.000 0.000 0.000) 0.000 2.732 ( 0.000 0.000 0.000) 0.000 2.732 ( -0.000 0.000 0.000) 0.000 3.000 ( 0.000 0.000 0.000) 0.000 3.000 ( 0.000 0.000 0.000) 0.000 3.057 ( 0.000 0.000 0.000) 0.000 3.057 ( 0.000 0.000 0.000) 0.000 3.535 ( -0.000 0.000 -0.000) 0.000 3.535 ( -0.000 0.000 0.000) 0.000 3.699 ( 0.000 0.000 0.000) 0.000 3.699 ( 0.000 0.000 0.000) 0.000 3.782 ( 0.000 0.000 -0.000) 0.000 3.782 ( 0.000 0.000 0.000) 0.000 3.836 ( 0.000 0.000 0.000) 0.000 3.836 ( -0.000 0.000 0.000) 0.000 3.915 ( -0.000 0.000 -0.000) 0.000 3.915 ( 0.000 0.000 0.000) 0.000 4.191 ( 0.000 0.000 0.000) 0.000 4.191 ( 0.000 0.000 0.000) 0.000 4.739 ( 0.000 0.000 0.000) 0.000 4.739 ( 0.000 0.000 0.000) 0.000 4.929 ( 0.000 0.000 0.000) 0.000 4.929 ( 0.000 0.000 0.000) 0.000 5.454 ( 0.000 0.000 -0.000) 0.000 5.454 ( 0.000 0.000 0.000) 0.000 5.454 ( 0.000 0.000 0.000) 0.000 5.454 ( 0.000 0.000 0.000) 0.000 5.847 ( 0.000 0.000 0.000) 0.000 5.847 ( -0.000 0.000 0.000) 0.000 5.850 ( 0.000 0.000 0.000) 0.000 5.850 ( 0.000 0.000 0.000) 0.000 6.015 ( 0.000 0.000 0.000) 0.000 6.015 ( 0.000 0.000 0.000) 0.000 7.298 ( 0.000 0.000 0.000) 0.000 7.298 ( 0.000 0.000 0.000) 0.000 9.232 ( 0.000 0.000 0.000) 0.000 9.232 ( 0.000 0.000 0.000) 0.000 9.341 ( 0.000 0.000 0.000) 0.000 9.341 ( 0.000 0.000 0.000) 0.000 10.211 ( 0.000 0.000 0.000) 0.000 10.211 ( 0.000 0.000 0.000) 0.000 10.576 ( 0.000 0.000 0.000) 0.000 10.576 ( 0.000 0.000 0.000) 0.000 11.018 ( 0.000 0.000 -0.000) 0.000 11.018 ( 0.000 0.000 0.000) 0.000 11.087 ( 0.000 0.000 0.000) 0.000 11.087 ( 0.000 0.000 0.000) 0.000 11.249 ( 0.000 0.000 0.000) 0.000 11.249 ( 0.000 0.000 0.000) 0.000 12.217 ( -0.000 0.000 -0.000) 0.000 12.217 ( 0.000 0.000 0.000) 0.000 12.803 ( 0.000 0.000 0.000) 0.000 12.803 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 270 (86/100) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 0.000 -11.290 -5.536) 12.574 1.640 ( 0.000 -11.290 5.536) 12.574 1.933 ( 0.000 -2.819 -5.713) 6.370 1.933 ( 0.000 -2.819 5.713) 6.370 2.125 ( 0.000 -0.529 -3.130) 3.174 2.125 ( 0.000 -0.529 3.130) 3.174 2.320 ( 0.000 2.109 -1.448) 2.558 2.320 ( 0.000 2.109 1.448) 2.558 2.562 ( 0.000 5.922 -1.591) 6.132 2.562 ( 0.000 5.922 1.591) 6.132 2.797 ( 0.000 4.471 -2.295) 5.026 2.797 ( 0.000 4.471 2.295) 5.026 3.044 ( 0.000 1.924 -2.849) 3.438 3.044 ( 0.000 1.924 2.849) 3.438 3.140 ( 0.000 1.851 -6.398) 6.661 3.140 ( 0.000 1.851 6.398) 6.661 3.519 ( 0.000 -5.902 -1.426) 6.071 3.519 ( 0.000 -5.902 1.426) 6.071 3.626 ( 0.000 1.191 -9.994) 10.065 3.626 ( 0.000 1.191 9.994) 10.065 4.093 ( 0.000 3.845 -5.037) 6.337 4.093 ( 0.000 3.845 5.037) 6.337 4.413 ( 0.000 16.187 -2.588) 16.393 4.413 ( 0.000 16.187 2.588) 16.393 4.474 ( 0.000 2.200 -23.007) 23.112 4.474 ( 0.000 2.200 23.007) 23.112 5.157 ( 0.000 -0.880 -9.947) 9.986 5.157 ( 0.000 -0.880 9.947) 9.986 5.493 ( 0.000 1.792 -4.410) 4.760 5.493 ( 0.000 1.792 4.410) 4.760 5.541 ( 0.000 -4.662 -1.837) 5.011 5.541 ( 0.000 -4.662 1.837) 5.011 5.984 ( 0.000 4.851 -2.999) 5.703 5.984 ( 0.000 4.851 2.999) 5.703 6.048 ( 0.000 10.172 -0.114) 10.173 6.048 ( 0.000 10.172 0.114) 10.173 6.476 ( 0.000 -10.070 -1.786) 10.227 6.476 ( 0.000 -10.070 1.786) 10.227 6.704 ( 0.000 5.169 -15.233) 16.086 6.704 ( 0.000 5.169 15.233) 16.086 7.179 ( 0.000 -3.518 -25.955) 26.193 7.179 ( 0.000 -3.518 25.955) 26.193 7.380 ( 0.000 7.887 -20.746) 22.195 7.380 ( 0.000 7.887 20.746) 22.195 8.544 ( 0.000 -3.248 -17.298) 17.600 8.544 ( 0.000 -3.248 17.298) 17.600 9.331 ( 0.000 -27.031 -14.472) 30.662 9.331 ( 0.000 -27.031 14.472) 30.662 10.618 ( 0.000 7.236 -4.644) 8.598 10.618 ( 0.000 7.236 4.644) 8.598 10.774 ( 0.000 0.216 -5.511) 5.516 10.774 ( 0.000 0.216 5.511) 5.516 10.829 ( 0.000 0.050 -5.794) 5.795 10.829 ( 0.000 0.050 5.794) 5.795 11.181 ( 0.000 -4.676 -0.663) 4.722 11.181 ( 0.000 -4.676 0.663) 4.722 13.308 ( 0.000 5.145 -4.033) 6.537 13.308 ( 0.000 5.145 4.033) 6.537 13.556 ( 0.000 0.880 -12.585) 12.616 13.556 ( 0.000 0.880 12.585) 12.616 ======================= Grid point 272 (87/100) ======================= q-point: ( 0.12 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 2.826 -10.098 -5.058) 11.642 1.674 ( 2.826 -10.098 5.058) 11.642 1.925 ( -1.811 -2.652 -7.490) 8.149 1.925 ( -1.811 -2.652 7.490) 8.149 2.166 ( 3.696 -0.320 -3.316) 4.976 2.166 ( 3.696 -0.320 3.316) 4.976 2.331 ( 0.578 4.148 -1.352) 4.401 2.331 ( 0.578 4.148 1.352) 4.401 2.544 ( -1.573 3.917 -0.223) 4.227 2.544 ( -1.573 3.917 0.223) 4.227 2.789 ( -6.900 1.071 -9.381) 11.695 2.789 ( -6.900 1.071 9.381) 11.695 2.872 ( 3.506 6.281 -1.482) 7.345 2.872 ( 3.506 6.281 1.482) 7.345 3.284 ( 0.045 -7.502 -0.812) 7.546 3.284 ( 0.045 -7.502 0.812) 7.546 3.565 ( 6.107 -1.850 -5.021) 8.119 3.565 ( 6.107 -1.850 5.021) 8.119 3.664 ( 3.904 2.937 -10.000) 11.130 3.664 ( 3.904 2.937 10.000) 11.130 4.139 ( 3.255 3.036 -5.345) 6.955 4.139 ( 3.255 3.036 5.345) 6.955 4.388 ( -2.822 12.231 -7.355) 14.549 4.388 ( -2.822 12.231 7.355) 14.549 4.482 ( 1.465 5.034 -27.409) 27.906 4.482 ( 1.465 5.034 27.409) 27.906 5.043 ( -10.974 2.256 -10.530) 15.375 5.043 ( -10.974 2.256 10.530) 15.375 5.410 ( -7.644 1.522 -6.882) 10.397 5.410 ( -7.644 1.522 6.882) 10.397 5.548 ( -0.864 -3.257 -2.336) 4.100 5.548 ( -0.864 -3.257 2.336) 4.100 5.929 ( -4.946 2.842 -8.218) 10.004 5.929 ( -4.946 2.842 8.218) 10.004 5.991 ( -5.562 8.877 -1.413) 10.571 5.991 ( -5.562 8.877 1.413) 10.571 6.249 ( -20.737 2.910 -10.961) 23.636 6.249 ( -20.737 2.910 10.961) 23.636 6.569 ( -1.513 -2.308 -4.397) 5.191 6.569 ( -1.513 -2.308 4.397) 5.191 6.998 ( -11.518 -5.556 -14.119) 19.050 6.998 ( -11.518 -5.556 14.119) 19.050 7.865 ( 34.314 6.947 -25.882) 43.538 7.865 ( 34.314 6.947 25.882) 43.538 8.866 ( 25.904 -4.671 -23.850) 35.520 8.866 ( 25.904 -4.671 23.850) 35.520 9.318 ( -0.357 -25.791 -12.871) 28.827 9.318 ( -0.357 -25.791 12.871) 28.827 10.555 ( -4.799 6.375 -4.626) 9.223 10.555 ( -4.799 6.375 4.626) 9.223 10.826 ( 3.768 -0.055 -5.533) 6.694 10.826 ( 3.768 -0.055 5.533) 6.694 10.873 ( 3.990 0.516 -6.288) 7.465 10.873 ( 3.990 0.516 6.288) 7.465 11.183 ( 0.092 -4.695 -0.709) 4.749 11.183 ( 0.092 -4.695 0.709) 4.749 13.246 ( -5.963 4.659 -3.436) 8.310 13.246 ( -5.963 4.659 3.436) 8.310 13.421 ( -13.030 1.754 -12.592) 18.205 13.421 ( -13.030 1.754 12.592) 18.205 ======================= Grid point 274 (88/100) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 0.128 -4.151 -3.078) 5.169 1.716 ( 0.128 -4.151 3.078) 5.169 1.854 ( -4.094 -1.663 -6.744) 8.063 1.854 ( -4.094 -1.663 6.744) 8.063 2.183 ( -4.517 7.344 -1.003) 8.681 2.183 ( -4.517 7.344 1.003) 8.681 2.352 ( 2.871 -5.079 -3.819) 6.973 2.352 ( 2.871 -5.079 3.819) 6.973 2.531 ( 2.684 3.080 -3.282) 5.240 2.531 ( 2.684 3.080 3.282) 5.240 2.779 ( 3.863 -6.197 -9.609) 12.069 2.779 ( 3.863 -6.197 9.609) 12.069 2.999 ( 7.051 8.660 -5.020) 12.244 2.999 ( 7.051 8.660 5.020) 12.244 3.262 ( 1.867 -9.766 -3.244) 10.459 3.262 ( 1.867 -9.766 3.244) 10.459 3.631 ( 0.995 0.717 -7.792) 7.888 3.631 ( 0.995 0.717 7.792) 7.888 3.768 ( 3.333 0.669 -4.212) 5.413 3.768 ( 3.333 0.669 4.212) 5.413 4.151 ( -4.311 -0.849 -4.772) 6.486 4.151 ( -4.311 -0.849 4.772) 6.486 4.279 ( -7.384 5.356 -10.386) 13.823 4.279 ( -7.384 5.356 10.386) 13.823 4.547 ( 2.365 8.956 -14.205) 16.959 4.547 ( 2.365 8.956 14.205) 16.959 4.783 ( -9.908 12.465 -11.361) 19.561 4.783 ( -9.908 12.465 11.361) 19.561 5.206 ( -11.887 1.222 -9.348) 15.171 5.206 ( -11.887 1.222 9.348) 15.171 5.477 ( -5.316 -2.602 -10.527) 12.077 5.477 ( -5.316 -2.602 10.527) 12.077 5.755 ( -9.917 4.764 -8.390) 13.836 5.755 ( -9.917 4.764 8.390) 13.836 5.904 ( -1.118 2.037 -5.149) 5.649 5.904 ( -1.118 2.037 5.149) 5.649 6.000 ( -6.232 5.512 -4.347) 9.386 6.000 ( -6.232 5.512 4.347) 9.386 6.399 ( -13.019 5.745 -4.026) 14.789 6.399 ( -13.019 5.745 4.026) 14.789 6.969 ( 6.259 -10.452 -4.803) 13.096 6.969 ( 6.259 -10.452 4.803) 13.096 8.538 ( 30.653 3.856 -23.799) 38.998 8.538 ( 30.653 3.856 23.799) 38.998 9.180 ( 0.267 -20.050 -14.442) 24.711 9.180 ( 0.267 -20.050 14.442) 24.711 9.577 ( 29.489 -8.663 -21.694) 37.620 9.577 ( 29.489 -8.663 21.694) 37.620 10.454 ( -5.066 6.431 -4.655) 9.418 10.454 ( -5.066 6.431 4.655) 9.418 10.904 ( 3.755 -1.554 -5.525) 6.859 10.904 ( 3.755 -1.554 5.525) 6.859 10.963 ( 4.452 0.556 -6.458) 7.863 10.963 ( 4.452 0.556 6.458) 7.863 11.183 ( -0.095 -4.930 -0.765) 4.990 11.183 ( -0.095 -4.930 0.765) 4.990 13.051 ( -20.094 3.439 -10.996) 23.162 13.051 ( -20.094 3.439 10.996) 23.162 13.094 ( -11.152 4.274 -3.503) 12.446 13.094 ( -11.152 4.274 3.503) 12.446 ======================= Grid point 276 (89/100) ======================= q-point: ( 0.38 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -3.790 3.705 -4.919) 7.231 1.664 ( -3.790 3.705 4.919) 7.231 1.805 ( -1.148 1.012 -1.650) 2.251 1.805 ( -1.148 1.012 1.650) 2.251 2.058 ( -5.514 7.931 -1.460) 9.769 2.058 ( -5.514 7.931 1.460) 9.769 2.441 ( 4.988 -10.345 -3.861) 12.116 2.441 ( 4.988 -10.345 3.861) 12.116 2.630 ( 5.684 -3.140 -4.346) 7.814 2.630 ( 5.684 -3.140 4.346) 7.814 2.811 ( -1.421 -9.806 -5.083) 11.136 2.811 ( -1.421 -9.806 5.083) 11.136 3.136 ( 6.403 7.421 -4.807) 10.916 3.136 ( 6.403 7.421 4.807) 10.916 3.406 ( 10.517 -3.300 -4.625) 11.954 3.406 ( 10.517 -3.300 4.625) 11.954 3.632 ( -0.933 -0.444 -10.554) 10.604 3.632 ( -0.933 -0.444 10.554) 10.604 3.766 ( -2.550 -1.047 -7.942) 8.407 3.766 ( -2.549 -1.047 7.942) 8.407 3.948 ( -10.858 -4.932 -8.908) 14.886 3.948 ( -10.858 -4.932 8.908) 14.886 4.119 ( -10.570 1.303 -6.306) 12.377 4.119 ( -10.570 1.303 6.306) 12.377 4.471 ( -3.904 20.563 -3.493) 21.220 4.471 ( -3.904 20.563 3.493) 21.220 4.795 ( 3.863 9.403 -13.610) 16.987 4.795 ( 3.863 9.403 13.610) 16.987 4.997 ( -6.594 1.692 -4.032) 7.912 4.997 ( -6.594 1.692 4.032) 7.912 5.396 ( -2.247 -3.573 -9.147) 10.074 5.396 ( -2.247 -3.573 9.147) 10.074 5.620 ( -3.785 7.488 -3.271) 9.005 5.620 ( -3.785 7.488 3.271) 9.005 5.869 ( -4.075 0.790 -5.861) 7.182 5.869 ( -4.075 0.790 5.861) 7.182 5.946 ( 1.819 5.581 -2.304) 6.305 5.946 ( 1.819 5.581 2.304) 6.305 6.165 ( -9.407 9.252 -2.631) 13.454 6.165 ( -9.407 9.252 2.631) 13.454 7.109 ( 5.977 -11.738 -3.940) 13.749 7.109 ( 5.977 -11.738 3.940) 13.749 8.996 ( 9.822 -18.089 -5.765) 21.375 8.996 ( 9.822 -18.089 5.765) 21.375 9.203 ( 7.547 -0.049 -3.755) 8.430 9.203 ( 7.547 -0.049 3.755) 8.430 10.166 ( 24.204 -7.470 -18.754) 31.517 10.166 ( 24.204 -7.470 18.754) 31.517 10.365 ( -2.230 6.479 -4.838) 8.388 10.365 ( -2.230 6.479 4.838) 8.388 10.968 ( 2.435 -2.878 -4.166) 5.619 10.968 ( 2.435 -2.878 4.166) 5.619 11.041 ( 3.185 -0.074 -5.258) 6.147 11.041 ( 3.185 -0.074 5.258) 6.148 11.174 ( -1.069 -5.863 -0.548) 5.985 11.174 ( -1.069 -5.863 0.548) 5.985 12.600 ( -21.032 8.160 -10.407) 24.844 12.600 ( -21.032 8.160 10.407) 24.844 12.909 ( -7.571 2.454 -0.579) 7.980 12.909 ( -7.571 2.454 0.579) 7.980 ======================= Grid point 278 (90/100) ======================= q-point: (-0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 0.000 6.400 0.000) 6.400 1.619 ( 0.000 6.400 0.000) 6.400 1.792 ( 0.000 3.369 0.000) 3.369 1.792 ( 0.000 3.369 0.000) 3.369 2.001 ( 0.000 6.857 0.000) 6.857 2.001 ( 0.000 6.857 0.000) 6.857 2.501 ( 0.000 -11.018 -0.000) 11.018 2.501 ( -0.000 -11.018 0.000) 11.018 2.726 ( -0.000 -15.521 0.000) 15.521 2.726 ( -0.000 -15.521 0.000) 15.521 2.756 ( 0.000 -0.763 -0.000) 0.763 2.756 ( 0.000 -0.763 0.000) 0.763 3.214 ( 0.000 6.183 0.000) 6.183 3.214 ( 0.000 6.183 0.000) 6.183 3.540 ( -0.000 -0.462 0.000) 0.462 3.540 ( 0.000 -0.462 0.000) 0.462 3.619 ( 0.000 -4.277 -0.000) 4.277 3.619 ( 0.000 -4.277 0.000) 4.277 3.732 ( -0.000 -1.652 -0.000) 1.652 3.732 ( 0.000 -1.652 0.000) 1.652 3.870 ( -0.000 -0.636 -0.000) 0.636 3.870 ( 0.000 -0.636 0.000) 0.636 3.923 ( -0.000 -0.842 -0.000) 0.842 3.923 ( 0.000 -0.842 0.000) 0.842 4.444 ( 0.000 22.193 -0.000) 22.193 4.444 ( 0.000 22.193 0.000) 22.193 4.809 ( 0.000 5.749 0.000) 5.749 4.809 ( 0.000 5.749 0.000) 5.749 4.959 ( 0.000 3.468 0.000) 3.468 4.959 ( 0.000 3.468 0.000) 3.468 5.377 ( 0.000 -2.963 0.000) 2.963 5.377 ( 0.000 -2.963 0.000) 2.963 5.588 ( 0.000 8.666 -0.000) 8.666 5.588 ( 0.000 8.666 0.000) 8.666 5.814 ( 0.000 -0.376 0.000) 0.376 5.814 ( 0.000 -0.376 0.000) 0.376 6.010 ( -0.000 14.600 0.000) 14.600 6.010 ( 0.000 14.600 0.000) 14.600 6.030 ( -0.000 1.981 -0.000) 1.981 6.030 ( 0.000 1.981 -0.000) 1.981 7.173 ( 0.000 -12.047 0.000) 12.047 7.173 ( 0.000 -12.047 0.000) 12.047 9.038 ( 0.000 -29.122 -0.000) 29.122 9.038 ( 0.000 -29.122 0.000) 29.122 9.346 ( 0.000 11.082 0.000) 11.082 9.346 ( 0.000 11.082 0.000) 11.082 10.284 ( 0.000 5.421 0.000) 5.421 10.284 ( 0.000 5.421 0.000) 5.421 10.502 ( 0.000 -7.044 0.000) 7.044 10.502 ( 0.000 -7.044 0.000) 7.044 10.994 ( 0.000 -3.791 0.000) 3.791 10.994 ( 0.000 -3.791 0.000) 3.791 11.085 ( 0.000 -0.244 0.000) 0.244 11.085 ( 0.000 -0.244 0.000) 0.244 11.147 ( 0.000 -7.451 0.000) 7.451 11.147 ( 0.000 -7.451 0.000) 7.451 12.351 ( -0.000 11.826 -0.000) 11.826 12.351 ( 0.000 11.826 0.000) 11.826 12.826 ( 0.000 1.806 0.000) 1.806 12.826 ( 0.000 1.806 0.000) 1.806 ======================= Grid point 288 (91/100) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 0.000 -4.640 -3.103) 5.582 1.489 ( 0.000 -4.640 3.103) 5.582 1.880 ( 0.000 -1.745 -4.389) 4.724 1.880 ( 0.000 -1.745 4.389) 4.724 2.062 ( 0.000 -6.250 -0.712) 6.290 2.062 ( 0.000 -6.250 0.712) 6.290 2.264 ( 0.000 -2.311 -1.046) 2.537 2.264 ( 0.000 -2.311 1.046) 2.537 2.691 ( 0.000 3.157 -2.793) 4.215 2.691 ( 0.000 3.157 2.793) 4.215 2.905 ( 0.000 7.186 -1.583) 7.359 2.905 ( 0.000 7.186 1.583) 7.359 3.055 ( 0.000 0.300 -0.551) 0.628 3.055 ( 0.000 0.300 0.551) 0.628 3.225 ( 0.000 1.590 -1.659) 2.297 3.225 ( 0.000 1.590 1.659) 2.297 3.432 ( 0.000 0.164 -0.696) 0.715 3.432 ( 0.000 0.164 0.696) 0.715 3.617 ( 0.000 -2.365 -7.715) 8.070 3.617 ( 0.000 -2.365 7.715) 8.070 4.209 ( 0.000 6.255 -8.898) 10.877 4.209 ( 0.000 6.255 8.898) 10.877 4.483 ( 0.000 0.371 -22.889) 22.892 4.483 ( 0.000 0.371 22.889) 22.892 4.773 ( 0.000 17.329 -5.599) 18.211 4.773 ( 0.000 17.329 5.599) 18.211 5.135 ( 0.000 -1.479 -6.590) 6.754 5.135 ( 0.000 -1.479 6.590) 6.754 5.472 ( 0.000 -2.753 -3.588) 4.522 5.472 ( 0.000 -2.753 3.588) 4.522 5.543 ( 0.000 2.950 -1.084) 3.143 5.543 ( 0.000 2.950 1.084) 3.143 5.915 ( 0.000 -4.409 -4.137) 6.046 5.915 ( 0.000 -4.409 4.137) 6.046 6.237 ( 0.000 -8.277 -0.933) 8.330 6.237 ( 0.000 -8.277 0.933) 8.330 6.553 ( 0.000 29.766 -8.659) 31.000 6.553 ( 0.000 29.766 8.659) 31.000 6.820 ( 0.000 6.663 -20.512) 21.567 6.820 ( 0.000 6.663 20.512) 21.567 7.100 ( 0.000 -4.545 -22.503) 22.958 7.100 ( 0.000 -4.545 22.503) 22.958 7.480 ( 0.000 -0.535 -15.828) 15.837 7.480 ( 0.000 -0.535 15.828) 15.837 8.466 ( 0.000 -4.366 -12.632) 13.365 8.466 ( 0.000 -4.366 12.632) 13.365 8.730 ( 0.000 -31.051 -10.765) 32.864 8.730 ( 0.000 -31.051 10.765) 32.864 10.741 ( 0.000 3.963 -2.239) 4.552 10.741 ( 0.000 3.963 2.239) 4.552 10.788 ( 0.000 1.874 -3.714) 4.160 10.788 ( 0.000 1.874 3.714) 4.160 10.837 ( 0.000 1.503 -5.196) 5.409 10.837 ( 0.000 1.503 5.196) 5.409 11.067 ( 0.000 -6.817 -0.955) 6.884 11.067 ( 0.000 -6.817 0.955) 6.884 13.420 ( 0.000 5.676 -0.282) 5.683 13.420 ( 0.000 5.676 0.282) 5.683 13.566 ( 0.000 -0.135 -9.654) 9.655 13.566 ( 0.000 -0.135 9.654) 9.655 ======================= Grid point 290 (92/100) ======================= q-point: ( 0.12 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 4.179 -4.608 -3.104) 6.952 1.533 ( 4.179 -4.608 3.104) 6.952 1.891 ( -0.139 0.328 -5.230) 5.242 1.891 ( -0.139 0.328 5.230) 5.242 2.096 ( 4.143 -6.766 -2.974) 8.472 2.096 ( 4.143 -6.766 2.974) 8.472 2.323 ( 4.187 -1.735 -0.232) 4.538 2.323 ( 4.187 -1.735 0.232) 4.538 2.670 ( -2.242 5.771 -2.776) 6.785 2.670 ( -2.242 5.771 2.776) 6.785 2.819 ( -12.069 2.062 -8.894) 15.133 2.819 ( -12.069 2.062 8.894) 15.133 2.973 ( 2.678 3.331 -2.586) 4.995 2.973 ( 2.678 3.331 2.586) 4.995 3.158 ( -4.585 -5.154 -1.374) 7.033 3.158 ( -4.585 -5.154 1.374) 7.033 3.564 ( 7.251 1.935 -0.899) 7.558 3.564 ( 7.251 1.935 0.899) 7.558 3.684 ( 5.196 -0.805 -7.853) 9.451 3.684 ( 5.196 -0.805 7.853) 9.451 4.231 ( 0.979 5.418 -11.483) 12.735 4.231 ( 0.979 5.418 11.483) 12.735 4.431 ( -5.294 -1.798 -21.235) 21.959 4.431 ( -5.294 -1.798 21.235) 21.959 4.787 ( 1.710 18.283 -8.617) 20.284 4.787 ( 1.710 18.283 8.617) 20.284 5.084 ( -4.086 1.314 -6.208) 7.548 5.084 ( -4.086 1.314 6.208) 7.548 5.448 ( -8.793 2.049 -2.885) 9.479 5.448 ( -8.793 2.049 2.885) 9.479 5.499 ( 0.632 -1.864 -4.350) 4.775 5.499 ( 0.632 -1.864 4.350) 4.775 5.876 ( -2.783 -2.756 -7.665) 8.608 5.876 ( -2.783 -2.756 7.665) 8.608 6.189 ( -6.810 -3.729 -2.422) 8.133 6.189 ( -6.810 -3.729 2.422) 8.133 6.350 ( -21.195 12.975 -11.698) 27.467 6.350 ( -21.195 12.975 11.698) 27.467 6.624 ( -1.536 8.739 -6.338) 10.904 6.624 ( -1.536 8.739 6.338) 10.904 6.949 ( -10.230 5.929 -11.824) 16.721 6.949 ( -10.230 5.929 11.824) 16.721 7.917 ( 27.597 -7.521 -17.099) 33.325 7.917 ( 27.597 -7.521 17.099) 33.325 8.714 ( 10.876 -13.245 -12.088) 20.973 8.714 ( 10.876 -13.245 12.088) 20.973 8.818 ( 19.419 -16.767 -13.467) 28.976 8.818 ( 19.419 -16.767 13.467) 28.976 10.671 ( -4.519 5.404 -4.122) 8.162 10.671 ( -4.519 5.404 4.122) 8.162 10.811 ( 1.424 -1.607 -5.381) 5.794 10.811 ( 1.424 -1.607 5.381) 5.794 10.900 ( 4.418 2.336 -5.280) 7.270 10.900 ( 4.418 2.336 5.280) 7.270 11.073 ( 0.536 -6.156 -1.230) 6.301 11.073 ( 0.536 -6.156 1.230) 6.301 13.344 ( -7.396 4.676 -0.331) 8.756 13.344 ( -7.396 4.676 0.331) 8.756 13.453 ( -10.809 1.219 -9.367) 14.355 13.453 ( -10.809 1.219 9.367) 14.355 ======================= Grid point 292 (93/100) ======================= q-point: ( 0.25 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 5.761 -3.244 -2.461) 7.055 1.639 ( 5.761 -3.244 2.461) 7.055 1.862 ( -2.204 3.497 -6.193) 7.446 1.862 ( -2.204 3.497 6.193) 7.446 2.191 ( 3.486 -6.170 -3.604) 7.950 2.191 ( 3.486 -6.170 3.604) 7.950 2.353 ( -2.182 2.356 -2.517) 4.080 2.353 ( -2.182 2.356 2.517) 4.080 2.587 ( -6.962 0.350 -4.856) 8.496 2.587 ( -6.962 0.350 4.856) 8.496 2.644 ( -1.462 -3.366 -4.044) 5.461 2.644 ( -1.462 -3.366 4.044) 5.461 3.095 ( 8.837 -1.072 -3.087) 9.422 3.095 ( 8.837 -1.072 3.087) 9.422 3.161 ( 5.301 1.453 -3.218) 6.370 3.161 ( 5.301 1.453 3.218) 6.370 3.642 ( 1.268 0.500 -6.604) 6.743 3.642 ( 1.268 0.500 6.604) 6.743 3.765 ( 1.572 -0.851 -7.342) 7.557 3.765 ( 1.572 -0.851 7.342) 7.557 4.133 ( -12.724 -0.671 -6.142) 14.144 4.133 ( -12.724 -0.671 6.142) 14.144 4.309 ( -5.759 -0.435 -13.199) 14.407 4.309 ( -5.759 -0.435 13.199) 14.407 4.849 ( 3.083 16.426 -7.270) 18.225 4.849 ( 3.083 16.426 7.270) 18.225 4.995 ( -3.972 8.845 -7.446) 12.225 4.995 ( -3.972 8.845 7.446) 12.225 5.233 ( -11.295 1.278 -6.618) 13.154 5.233 ( -11.295 1.278 6.618) 13.154 5.420 ( -7.493 -3.368 -7.713) 11.269 5.420 ( -7.493 -3.368 7.713) 11.269 5.841 ( -1.963 3.799 -5.420) 6.904 5.841 ( -1.963 3.799 5.420) 6.904 5.963 ( -7.077 3.591 -6.926) 10.534 5.963 ( -7.077 3.591 6.926) 10.534 6.087 ( -7.335 2.055 -5.653) 9.486 6.087 ( -7.335 2.055 5.653) 9.486 6.654 ( -0.806 7.902 -1.830) 8.151 6.654 ( -0.806 7.902 1.830) 8.151 6.793 ( -2.200 8.989 -5.088) 10.561 6.793 ( -2.200 8.989 5.088) 10.561 8.292 ( 7.489 -34.743 -2.043) 35.599 8.292 ( 7.489 -34.743 2.043) 35.599 8.975 ( 20.472 5.550 -12.557) 24.649 8.975 ( 20.472 5.550 12.557) 24.649 9.395 ( 31.174 -10.535 -22.867) 40.071 9.395 ( 31.174 -10.535 22.867) 40.071 10.582 ( -4.292 6.843 -4.232) 9.119 10.582 ( -4.292 6.843 4.232) 9.119 10.840 ( 1.196 -5.230 -5.467) 7.659 10.840 ( 1.196 -5.230 5.467) 7.659 10.984 ( 3.718 1.497 -5.110) 6.494 10.984 ( 3.718 1.497 5.110) 6.494 11.085 ( 0.541 -4.500 -1.639) 4.820 11.085 ( 0.541 -4.500 1.639) 4.820 13.121 ( -15.721 3.192 -5.997) 17.126 13.121 ( -15.721 3.192 5.997) 17.126 13.180 ( -13.672 3.836 -2.159) 14.363 13.180 ( -13.672 3.836 2.159) 14.363 ======================= Grid point 294 (94/100) ======================= q-point: ( 0.38 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 3.397 2.030 -1.821) 4.357 1.737 ( 3.397 2.030 1.821) 4.357 1.825 ( -1.187 4.416 -6.959) 8.327 1.825 ( -1.187 4.416 6.959) 8.327 2.206 ( -1.627 -1.265 -2.475) 3.221 2.206 ( -1.627 -1.265 2.475) 3.221 2.285 ( -2.243 -1.483 -7.342) 7.819 2.285 ( -2.243 -1.483 7.342) 7.819 2.505 ( -1.465 -6.590 -2.381) 7.159 2.505 ( -1.465 -6.590 2.381) 7.159 2.661 ( 1.845 -5.167 -3.085) 6.294 2.661 ( 1.845 -5.167 3.085) 6.294 3.260 ( 5.581 5.360 -5.179) 9.312 3.260 ( 5.581 5.360 5.179) 9.312 3.355 ( 12.603 -1.878 -2.133) 12.920 3.355 ( 12.603 -1.878 2.133) 12.920 3.632 ( -2.553 -0.043 -11.185) 11.473 3.632 ( -2.553 -0.043 11.185) 11.473 3.744 ( -2.776 -1.031 -5.399) 6.158 3.744 ( -2.776 -1.031 5.399) 6.158 3.864 ( -9.214 -3.502 -8.322) 12.900 3.864 ( -9.214 -3.502 8.322) 12.900 4.121 ( -13.488 -0.624 -3.736) 14.009 4.121 ( -13.488 -0.624 3.736) 14.009 4.809 ( -3.248 10.561 -3.339) 11.543 4.809 ( -3.248 10.561 3.339) 11.543 4.988 ( -4.112 7.258 -9.023) 12.288 4.988 ( -4.112 7.258 9.023) 12.288 5.059 ( -0.551 7.269 -2.470) 7.697 5.059 ( -0.551 7.269 2.470) 7.697 5.329 ( -1.126 -3.647 -7.349) 8.281 5.329 ( -1.126 -3.647 7.349) 8.281 5.773 ( -2.585 7.062 -1.844) 7.743 5.773 ( -2.585 7.062 1.844) 7.743 5.880 ( -4.840 0.232 -4.784) 6.810 5.880 ( -4.840 0.232 4.784) 6.810 6.063 ( 4.365 7.947 -2.450) 9.392 6.063 ( 4.365 7.947 2.450) 9.392 6.538 ( -7.136 24.343 -4.950) 25.846 6.538 ( -7.136 24.343 4.950) 25.846 6.859 ( 4.593 -7.232 -4.063) 9.482 6.859 ( 4.593 -7.232 4.063) 9.482 8.329 ( -0.896 -43.563 -4.582) 43.812 8.329 ( -0.896 -43.563 4.582) 43.812 9.410 ( 18.794 14.744 -14.171) 27.774 9.410 ( 18.794 14.744 14.171) 27.774 9.973 ( 24.037 -12.441 -18.312) 32.679 9.973 ( 24.037 -12.441 18.312) 32.679 10.501 ( -3.569 7.692 -4.116) 9.426 10.501 ( -3.569 7.692 4.116) 9.426 10.848 ( -0.591 -9.144 -5.151) 10.512 10.848 ( -0.591 -9.144 5.151) 10.512 11.045 ( 2.305 0.454 -3.646) 4.337 11.045 ( 2.305 0.454 3.646) 4.337 11.090 ( -0.109 -2.400 -1.148) 2.662 11.090 ( -0.109 -2.399 1.148) 2.662 12.772 ( -15.877 8.595 -7.581) 19.581 12.772 ( -15.877 8.595 7.581) 19.581 12.945 ( -9.396 0.613 -1.695) 9.567 12.945 ( -9.396 0.613 1.695) 9.567 ======================= Grid point 296 (95/100) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 0.000 8.562 -0.000) 8.562 1.774 ( 0.000 8.562 0.000) 8.562 1.809 ( -0.000 1.185 -0.000) 1.185 1.809 ( 0.000 1.185 0.000) 1.185 2.181 ( 0.000 6.248 -0.000) 6.248 2.181 ( 0.000 6.248 0.000) 6.248 2.270 ( 0.000 -11.685 -0.000) 11.685 2.270 ( -0.000 -11.685 0.000) 11.685 2.496 ( 0.000 -6.004 0.000) 6.004 2.496 ( 0.000 -6.004 0.000) 6.004 2.685 ( 0.000 -6.030 0.000) 6.030 2.685 ( 0.000 -6.030 0.000) 6.030 3.316 ( 0.000 5.143 0.000) 5.143 3.316 ( 0.000 5.143 0.000) 5.143 3.484 ( 0.000 -3.571 -0.000) 3.571 3.484 ( 0.000 -3.571 0.000) 3.571 3.627 ( -0.000 3.119 -0.000) 3.119 3.627 ( 0.000 3.119 0.000) 3.119 3.718 ( -0.000 -0.202 -0.000) 0.202 3.718 ( 0.000 -0.202 0.000) 0.202 3.827 ( -0.000 -2.937 -0.000) 2.937 3.827 ( 0.000 -2.937 0.000) 2.937 3.871 ( -0.000 -3.942 0.000) 3.942 3.871 ( 0.000 -3.942 0.000) 3.942 4.796 ( -0.000 10.570 -0.000) 10.570 4.796 ( 0.000 10.570 0.000) 10.570 4.895 ( 0.000 2.418 -0.000) 2.418 4.895 ( 0.000 2.418 0.000) 2.418 5.089 ( 0.000 9.856 0.000) 9.856 5.089 ( 0.000 9.856 0.000) 9.856 5.328 ( 0.000 -2.652 0.000) 2.652 5.328 ( 0.000 -2.652 0.000) 2.652 5.753 ( -0.000 6.734 0.000) 6.734 5.753 ( -0.000 6.734 0.000) 6.734 5.817 ( -0.000 0.418 0.000) 0.418 5.817 ( 0.000 0.418 0.000) 0.418 6.132 ( -0.000 10.230 0.000) 10.230 6.132 ( 0.000 10.230 0.000) 10.230 6.447 ( 0.000 27.007 0.000) 27.007 6.447 ( 0.000 27.007 0.000) 27.007 6.911 ( 0.000 -9.471 0.000) 9.471 6.911 ( 0.000 -9.471 0.000) 9.471 8.314 ( 0.000 -44.531 0.000) 44.531 8.314 ( 0.000 -44.531 0.000) 44.531 9.618 ( 0.000 16.443 0.000) 16.443 9.618 ( 0.000 16.443 0.000) 16.443 10.241 ( 0.000 -12.544 0.000) 12.544 10.241 ( 0.000 -12.544 0.000) 12.544 10.464 ( -0.000 6.175 -0.000) 6.175 10.464 ( 0.000 6.175 0.000) 6.175 10.830 ( 0.000 -11.320 0.000) 11.320 10.830 ( 0.000 -11.320 0.000) 11.320 11.077 ( -0.000 -0.818 -0.000) 0.818 11.077 ( 0.000 -0.818 0.000) 0.818 11.079 ( -0.000 -0.314 0.000) 0.314 11.079 ( 0.000 -0.314 0.000) 0.314 12.591 ( -0.000 11.840 -0.000) 11.840 12.591 ( 0.000 11.840 0.000) 11.840 12.842 ( 0.000 -0.867 0.000) 0.867 12.842 ( 0.000 -0.867 0.000) 0.867 ======================= Grid point 306 (96/100) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 0.000 0.000 0.000) 0.000 1.447 ( 0.000 0.000 0.000) 0.000 1.874 ( 0.000 0.000 0.000) 0.000 1.874 ( 0.000 0.000 0.000) 0.000 1.972 ( 0.000 0.000 0.000) 0.000 1.972 ( 0.000 0.000 0.000) 0.000 2.249 ( 0.000 0.000 0.000) 0.000 2.249 ( 0.000 0.000 0.000) 0.000 2.712 ( 0.000 0.000 0.000) 0.000 2.712 ( 0.000 0.000 0.000) 0.000 2.995 ( 0.000 -0.000 0.000) 0.000 2.995 ( 0.000 0.000 0.000) 0.000 3.080 ( 0.000 -0.000 0.000) 0.000 3.080 ( 0.000 0.000 -0.000) 0.000 3.175 ( 0.000 0.000 0.000) 0.000 3.175 ( 0.000 0.000 0.000) 0.000 3.506 ( 0.000 0.000 0.000) 0.000 3.506 ( 0.000 0.000 -0.000) 0.000 3.554 ( 0.000 0.000 0.000) 0.000 3.554 ( 0.000 -0.000 0.000) 0.000 4.277 ( 0.000 0.000 -0.000) 0.000 4.277 ( 0.000 0.000 -0.000) 0.000 4.483 ( 0.000 0.000 0.000) 0.000 4.483 ( 0.000 0.000 0.000) 0.000 4.979 ( 0.000 0.000 -0.000) 0.000 4.979 ( 0.000 0.000 0.000) 0.000 5.104 ( 0.000 -0.000 0.000) 0.000 5.104 ( 0.000 -0.000 0.000) 0.000 5.440 ( 0.000 -0.000 0.000) 0.000 5.440 ( 0.000 0.000 0.000) 0.000 5.579 ( 0.000 0.000 0.000) 0.000 5.579 ( 0.000 0.000 0.000) 0.000 5.866 ( 0.000 0.000 0.000) 0.000 5.866 ( 0.000 0.000 0.000) 0.000 6.135 ( 0.000 0.000 0.000) 0.000 6.135 ( 0.000 0.000 0.000) 0.000 6.881 ( 0.000 0.000 0.000) 0.000 6.881 ( 0.000 0.000 0.000) 0.000 7.036 ( 0.000 -0.000 -0.000) 0.000 7.036 ( 0.000 -0.000 0.000) 0.000 7.150 ( 0.000 -0.000 0.000) 0.000 7.150 ( 0.000 0.000 -0.000) 0.000 7.253 ( 0.000 -0.000 0.000) 0.000 7.253 ( 0.000 0.000 0.000) 0.000 8.367 ( 0.000 0.000 0.000) 0.000 8.367 ( 0.000 -0.000 0.000) 0.000 8.432 ( 0.000 0.000 0.000) 0.000 8.432 ( 0.000 0.000 0.000) 0.000 10.764 ( 0.000 0.000 0.000) 0.000 10.764 ( 0.000 0.000 0.000) 0.000 10.810 ( 0.000 0.000 -0.000) 0.000 10.810 ( 0.000 0.000 0.000) 0.000 10.911 ( 0.000 -0.000 0.000) 0.000 10.911 ( 0.000 0.000 0.000) 0.000 10.951 ( 0.000 -0.000 -0.000) 0.000 10.951 ( 0.000 0.000 -0.000) 0.000 13.488 ( 0.000 0.000 0.000) 0.000 13.488 ( 0.000 0.000 0.000) 0.000 13.555 ( 0.000 -0.000 -0.000) 0.000 13.555 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 310 (97/100) ======================= q-point: ( 0.12 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 4.211 0.000 0.000) 4.211 1.491 ( 4.211 0.000 0.000) 4.211 1.954 ( 6.820 -0.000 -0.000) 6.820 1.954 ( 6.820 0.000 -0.000) 6.820 1.958 ( -0.936 -0.000 0.000) 0.936 1.958 ( -0.936 0.000 0.000) 0.936 2.306 ( 4.437 0.000 -0.000) 4.437 2.306 ( 4.437 0.000 0.000) 4.437 2.724 ( -0.105 0.000 0.000) 0.105 2.724 ( -0.105 0.000 0.000) 0.105 2.848 ( -15.494 0.000 -0.000) 15.494 2.848 ( -15.494 -0.000 0.000) 15.494 3.006 ( -3.639 0.000 0.000) 3.639 3.006 ( -3.639 -0.000 0.000) 3.639 3.099 ( 1.115 0.000 0.000) 1.115 3.099 ( 1.115 0.000 0.000) 1.115 3.605 ( 3.385 0.000 -0.000) 3.385 3.605 ( 3.385 0.000 0.000) 3.385 3.658 ( 8.214 0.000 0.000) 8.214 3.658 ( 8.214 -0.000 0.000) 8.214 4.302 ( 1.888 -0.000 -0.000) 1.888 4.302 ( 1.888 0.000 -0.000) 1.888 4.394 ( -8.968 -0.000 0.000) 8.968 4.394 ( -8.968 0.000 0.000) 8.968 5.018 ( 3.698 0.000 -0.000) 3.698 5.018 ( 3.698 0.000 0.000) 3.698 5.069 ( -2.706 -0.000 0.000) 2.706 5.069 ( -2.706 0.000 0.000) 2.706 5.471 ( -9.742 0.000 -0.000) 9.742 5.471 ( -9.742 0.000 0.000) 9.742 5.478 ( 1.294 -0.000 -0.000) 1.294 5.478 ( 1.294 -0.000 0.000) 1.294 5.850 ( -0.786 0.000 0.000) 0.786 5.850 ( -0.786 0.000 0.000) 0.786 6.116 ( -2.903 0.000 0.000) 2.903 6.116 ( -2.903 0.000 0.000) 2.903 6.475 ( -28.271 -0.000 -0.000) 28.271 6.475 ( -28.271 0.000 0.000) 28.271 6.687 ( -10.783 0.000 0.000) 10.783 6.687 ( -10.783 0.000 0.000) 10.783 7.359 ( 4.393 0.000 0.000) 4.393 7.359 ( 4.393 0.000 0.000) 4.393 7.508 ( 10.264 -0.000 0.000) 10.264 7.508 ( 10.264 -0.000 0.000) 10.264 8.602 ( 22.710 0.000 -0.000) 22.710 8.602 ( 22.710 -0.000 -0.000) 22.710 8.665 ( 21.363 -0.000 0.000) 21.363 8.665 ( 21.363 0.000 0.000) 21.363 10.748 ( -1.437 -0.000 -0.000) 1.437 10.748 ( -1.437 0.000 -0.000) 1.437 10.773 ( -2.631 -0.000 0.000) 2.631 10.773 ( -2.631 0.000 0.000) 2.631 10.958 ( 3.471 -0.000 -0.000) 3.471 10.958 ( 3.471 0.000 -0.000) 3.471 10.973 ( 1.933 -0.000 0.000) 1.933 10.973 ( 1.933 0.000 0.000) 1.933 13.395 ( -8.966 0.000 0.000) 8.966 13.395 ( -8.966 0.000 0.000) 8.966 13.463 ( -8.873 0.000 -0.000) 8.873 13.463 ( -8.873 0.000 -0.000) 8.873 ======================= Grid point 314 (98/100) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 7.119 0.000 0.000) 7.119 1.608 ( 7.119 0.000 0.000) 7.119 1.941 ( -1.009 -0.000 0.000) 1.009 1.941 ( -1.009 0.000 -0.000) 1.009 2.083 ( 4.608 0.000 0.000) 4.608 2.083 ( 4.608 0.000 0.000) 4.608 2.355 ( -1.895 0.000 -0.000) 1.895 2.355 ( -1.895 0.000 0.000) 1.895 2.562 ( -9.061 0.000 0.000) 9.061 2.562 ( -9.061 0.000 0.000) 9.061 2.658 ( -4.870 0.000 0.000) 4.870 2.658 ( -4.870 0.000 0.000) 4.870 3.073 ( 9.988 0.000 0.000) 9.988 3.073 ( 9.988 0.000 0.000) 9.988 3.189 ( 6.713 0.000 0.000) 6.713 3.189 ( 6.713 0.000 0.000) 6.713 3.648 ( 0.664 0.000 -0.000) 0.664 3.648 ( 0.664 0.000 0.000) 0.664 3.752 ( 1.276 0.000 -0.000) 1.276 3.752 ( 1.276 0.000 0.000) 1.276 4.127 ( -16.568 0.000 -0.000) 16.568 4.127 ( -16.568 0.000 -0.000) 16.568 4.302 ( -3.630 0.000 0.000) 3.630 4.302 ( -3.630 0.000 0.000) 3.630 5.008 ( -4.137 -0.000 -0.000) 4.137 5.008 ( -4.137 0.000 0.000) 4.137 5.110 ( 4.664 -0.000 0.000) 4.664 5.110 ( 4.664 0.000 0.000) 4.664 5.247 ( -10.905 0.000 -0.000) 10.905 5.247 ( -10.905 0.000 0.000) 10.905 5.369 ( -10.529 -0.000 -0.000) 10.529 5.369 ( -10.529 0.000 0.000) 10.529 5.884 ( 2.262 0.000 0.000) 2.262 5.884 ( 2.262 0.000 0.000) 2.262 6.005 ( -7.115 -0.000 -0.000) 7.115 6.005 ( -7.115 0.000 0.000) 7.115 6.102 ( -5.638 0.000 -0.000) 5.638 6.102 ( -5.638 -0.000 0.000) 5.638 6.570 ( -1.898 0.000 0.000) 1.898 6.570 ( -1.898 0.000 0.000) 1.898 7.386 ( -0.749 0.000 0.000) 0.749 7.386 ( -0.749 0.000 0.000) 0.749 7.571 ( -1.665 -0.000 0.000) 1.665 7.571 ( -1.665 -0.000 0.000) 1.665 9.166 ( 30.038 -0.000 -0.000) 30.038 9.166 ( 30.038 0.000 -0.000) 30.038 9.183 ( 27.703 -0.000 0.000) 27.703 9.183 ( 27.703 0.000 0.000) 27.703 10.712 ( -2.136 -0.000 -0.000) 2.136 10.712 ( -2.136 0.000 -0.000) 2.136 10.721 ( -2.484 -0.000 -0.000) 2.484 10.721 ( -2.484 0.000 0.000) 2.484 11.016 ( 2.102 -0.000 -0.000) 2.102 11.016 ( 2.102 0.000 -0.000) 2.102 11.024 ( 2.841 -0.000 0.000) 2.841 11.024 ( 2.841 0.000 0.000) 2.841 13.154 ( -14.059 0.000 0.000) 14.059 13.154 ( -14.059 0.000 0.000) 14.059 13.219 ( -14.516 -0.000 -0.000) 14.516 13.219 ( -14.516 0.000 -0.000) 14.516 ======================= Grid point 318 (99/100) ======================= q-point: ( 0.38 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 6.923 0.000 0.000) 6.923 1.756 ( 6.923 0.000 0.000) 6.923 1.909 ( -2.058 -0.000 0.000) 2.058 1.909 ( -2.058 0.000 -0.000) 2.058 2.128 ( 0.715 0.000 0.000) 0.715 2.128 ( 0.715 0.000 0.000) 0.715 2.244 ( -5.786 0.000 -0.000) 5.786 2.244 ( -5.786 0.000 0.000) 5.786 2.510 ( 0.965 -0.000 0.000) 0.965 2.510 ( 0.965 0.000 0.000) 0.965 2.589 ( -2.043 -0.000 0.000) 2.043 2.589 ( -2.043 0.000 0.000) 2.043 3.326 ( 5.798 -0.000 -0.000) 5.798 3.326 ( 5.798 0.000 0.000) 5.798 3.330 ( 13.152 -0.000 0.000) 13.152 3.330 ( 13.152 0.000 0.000) 13.152 3.625 ( -2.857 -0.000 -0.000) 2.857 3.625 ( -2.857 0.000 0.000) 2.857 3.736 ( -1.933 0.000 -0.000) 1.933 3.736 ( -1.933 0.000 0.000) 1.933 3.827 ( -9.668 0.000 -0.000) 9.668 3.827 ( -9.668 -0.000 0.000) 9.668 4.112 ( -14.743 0.000 0.000) 14.743 4.112 ( -14.743 0.000 0.000) 14.743 4.896 ( -4.346 0.000 0.000) 4.346 4.896 ( -4.346 0.000 0.000) 4.346 5.033 ( -8.645 0.000 -0.000) 8.645 5.033 ( -8.645 0.000 -0.000) 8.645 5.211 ( 3.425 -0.000 0.000) 3.425 5.211 ( 3.425 0.000 0.000) 3.425 5.252 ( -0.896 -0.000 0.000) 0.896 5.252 ( -0.896 0.000 -0.000) 0.896 5.846 ( -3.049 -0.000 0.000) 3.049 5.846 ( -3.049 -0.000 0.000) 3.049 5.876 ( -5.028 -0.000 -0.000) 5.028 5.876 ( -5.028 0.000 -0.000) 5.028 6.213 ( 10.698 -0.000 -0.000) 10.698 6.213 ( 10.698 0.000 0.000) 10.698 6.535 ( -3.080 -0.000 0.000) 3.080 6.535 ( -3.080 0.000 0.000) 3.080 7.372 ( 0.226 0.000 0.000) 0.226 7.372 ( 0.226 0.000 0.000) 0.226 7.500 ( -4.622 -0.000 0.000) 4.622 7.500 ( -4.622 -0.000 0.000) 4.622 9.696 ( 21.341 -0.000 -0.000) 21.341 9.696 ( 21.341 0.000 -0.000) 21.341 9.710 ( 21.910 -0.000 0.000) 21.910 9.710 ( 21.910 0.000 0.000) 21.910 10.660 ( -2.930 -0.000 0.000) 2.930 10.660 ( -2.930 -0.000 0.000) 2.930 10.668 ( -2.928 -0.000 -0.000) 2.928 10.668 ( -2.928 0.000 0.000) 2.928 11.053 ( 1.504 0.000 -0.000) 1.504 11.053 ( 1.504 0.000 -0.000) 1.504 11.066 ( 1.254 -0.000 0.000) 1.254 11.066 ( 1.254 0.000 0.000) 1.254 12.883 ( -11.159 -0.000 0.000) 11.159 12.883 ( -11.159 0.000 0.000) 11.159 12.928 ( -12.849 -0.000 -0.000) 12.849 12.928 ( -12.849 0.000 -0.000) 12.849 ======================= Grid point 322 (100/100) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -2.283 -1.194 0.000) 2.576 1.860 ( -2.283 -1.194 0.000) 2.576 1.860 ( 2.283 1.194 0.000) 2.576 1.860 ( 2.283 1.194 0.000) 2.576 2.157 ( -1.516 -1.919 0.000) 2.445 2.157 ( -1.516 -1.919 0.000) 2.445 2.157 ( 1.516 1.919 0.000) 2.445 2.157 ( 1.516 1.919 0.000) 2.445 2.549 ( -0.350 -7.321 -0.000) 7.329 2.549 ( -0.350 -7.321 0.000) 7.329 2.549 ( 0.350 7.321 0.000) 7.329 2.549 ( 0.350 7.321 0.000) 7.329 3.411 ( -1.102 -4.144 0.000) 4.288 3.411 ( -1.102 -4.144 0.000) 4.288 3.411 ( 1.102 4.144 -0.000) 4.288 3.411 ( 1.102 4.144 0.000) 4.288 3.694 ( -2.752 -2.417 -0.000) 3.663 3.694 ( -2.752 -2.417 0.000) 3.663 3.694 ( 2.752 2.417 0.000) 3.663 3.694 ( 2.752 2.417 0.000) 3.663 3.806 ( -10.010 -0.560 0.000) 10.025 3.806 ( -10.010 -0.560 0.000) 10.025 3.806 ( 10.010 0.560 0.000) 10.025 3.806 ( 10.010 0.560 0.000) 10.025 4.898 ( -2.962 -1.445 0.000) 3.296 4.898 ( -2.962 -1.445 0.000) 3.296 4.898 ( 2.962 1.445 -0.000) 3.296 4.898 ( 2.962 1.445 0.000) 3.296 5.251 ( -0.023 -5.979 0.000) 5.979 5.251 ( -0.023 -5.979 0.000) 5.979 5.251 ( 0.023 5.979 0.000) 5.979 5.251 ( 0.023 5.979 0.000) 5.979 5.818 ( -0.220 -0.801 0.000) 0.830 5.818 ( -0.220 -0.801 0.000) 0.830 5.818 ( 0.220 0.801 0.000) 0.830 5.818 ( 0.220 0.801 0.000) 0.830 6.418 ( -2.082 -16.654 0.000) 16.784 6.418 ( -2.082 -16.654 0.000) 16.784 6.418 ( 2.082 16.654 0.000) 16.784 6.418 ( 2.082 16.654 0.000) 16.784 7.411 ( -0.139 -46.753 0.000) 46.753 7.411 ( -0.139 -46.753 0.000) 46.753 7.411 ( 0.139 46.753 0.000) 46.753 7.411 ( 0.139 46.753 -0.000) 46.753 9.946 ( -0.018 -17.014 0.000) 17.014 9.946 ( -0.018 -17.014 0.000) 17.014 9.946 ( 0.018 17.014 0.000) 17.014 9.946 ( 0.018 17.014 0.000) 17.014 10.622 ( -0.008 -9.795 -0.000) 9.795 10.622 ( -0.008 -9.795 0.000) 9.795 10.622 ( 0.008 9.795 0.000) 9.795 10.622 ( 0.008 9.795 0.000) 9.795 11.074 ( -0.345 -0.115 0.000) 0.364 11.074 ( -0.345 -0.115 0.000) 0.364 11.074 ( 0.345 0.115 0.000) 0.364 11.074 ( 0.345 0.115 0.000) 0.364 12.772 ( -0.118 -6.612 -0.000) 6.613 12.772 ( -0.118 -6.612 0.000) 6.613 12.772 ( 0.118 6.612 0.000) 6.613 12.772 ( 0.118 6.612 0.000) 6.613 =================== 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 3/23040 10.0 270.172 266.400 258.048 0.000 0.000 0.000 3/23040 20.0 27.163 30.403 26.535 0.000 0.000 -0.000 3/23040 30.0 10.508 12.692 10.148 0.000 0.000 -0.000 3/23040 40.0 6.232 7.614 5.983 0.000 0.000 -0.000 3/23040 50.0 4.477 5.441 4.309 0.000 0.000 -0.000 3/23040 60.0 3.581 4.324 3.475 0.000 0.000 -0.000 3/23040 70.0 3.058 3.678 2.999 0.000 0.000 -0.000 3/23040 80.0 2.720 3.266 2.696 0.000 0.000 -0.000 3/23040 90.0 2.482 2.979 2.482 0.000 0.000 -0.000 3/23040 100.0 2.301 2.763 2.319 0.000 0.000 -0.000 3/23040 110.0 2.155 2.589 2.185 0.000 0.000 -0.000 3/23040 120.0 2.033 2.443 2.071 0.000 0.000 -0.000 3/23040 130.0 1.926 2.317 1.970 0.000 0.000 -0.000 3/23040 140.0 1.831 2.204 1.879 0.000 0.000 -0.000 3/23040 150.0 1.746 2.102 1.796 0.000 0.000 -0.000 3/23040 160.0 1.668 2.009 1.719 0.000 0.000 -0.000 3/23040 170.0 1.596 1.923 1.649 0.000 0.000 -0.000 3/23040 180.0 1.530 1.844 1.583 0.000 0.000 -0.000 3/23040 190.0 1.469 1.771 1.521 0.000 0.000 -0.000 3/23040 200.0 1.412 1.703 1.464 0.000 0.000 -0.000 3/23040 210.0 1.359 1.639 1.410 0.000 0.000 -0.000 3/23040 220.0 1.310 1.580 1.360 0.000 0.000 -0.000 3/23040 230.0 1.264 1.524 1.313 0.000 0.000 -0.000 3/23040 240.0 1.220 1.472 1.269 0.000 0.000 -0.000 3/23040 250.0 1.180 1.423 1.227 0.000 0.000 -0.000 3/23040 260.0 1.141 1.377 1.188 0.000 0.000 -0.000 3/23040 270.0 1.105 1.333 1.151 0.000 0.000 -0.000 3/23040 280.0 1.071 1.292 1.116 0.000 0.000 -0.000 3/23040 290.0 1.039 1.254 1.082 0.000 0.000 -0.000 3/23040 300.0 1.009 1.217 1.051 0.000 0.000 -0.000 3/23040 310.0 0.980 1.182 1.021 0.000 0.000 -0.000 3/23040 320.0 0.953 1.150 0.993 0.000 0.000 -0.000 3/23040 330.0 0.927 1.119 0.967 0.000 0.000 -0.000 3/23040 340.0 0.903 1.089 0.941 0.000 0.000 -0.000 3/23040 350.0 0.879 1.061 0.917 0.000 0.000 -0.000 3/23040 360.0 0.857 1.034 0.894 0.000 0.000 -0.000 3/23040 370.0 0.836 1.009 0.872 0.000 0.000 -0.000 3/23040 380.0 0.816 0.984 0.851 0.000 0.000 -0.000 3/23040 390.0 0.796 0.961 0.831 0.000 0.000 -0.000 3/23040 400.0 0.778 0.939 0.812 0.000 0.000 -0.000 3/23040 410.0 0.760 0.918 0.794 0.000 0.000 -0.000 3/23040 420.0 0.744 0.897 0.776 0.000 0.000 -0.000 3/23040 430.0 0.727 0.878 0.759 0.000 0.000 -0.000 3/23040 440.0 0.712 0.859 0.743 0.000 0.000 -0.000 3/23040 450.0 0.697 0.841 0.728 0.000 0.000 -0.000 3/23040 460.0 0.683 0.824 0.713 0.000 0.000 -0.000 3/23040 470.0 0.669 0.807 0.699 0.000 0.000 -0.000 3/23040 480.0 0.656 0.791 0.685 0.000 0.000 -0.000 3/23040 490.0 0.643 0.776 0.672 0.000 0.000 -0.000 3/23040 500.0 0.631 0.761 0.659 0.000 0.000 -0.000 3/23040 510.0 0.619 0.747 0.647 0.000 0.000 -0.000 3/23040 520.0 0.608 0.734 0.635 0.000 0.000 -0.000 3/23040 530.0 0.597 0.720 0.624 0.000 0.000 -0.000 3/23040 540.0 0.586 0.708 0.613 0.000 0.000 -0.000 3/23040 550.0 0.576 0.695 0.602 0.000 0.000 -0.000 3/23040 560.0 0.566 0.683 0.592 0.000 0.000 -0.000 3/23040 570.0 0.557 0.672 0.582 0.000 0.000 -0.000 3/23040 580.0 0.548 0.661 0.572 0.000 0.000 -0.000 3/23040 590.0 0.539 0.650 0.563 0.000 0.000 -0.000 3/23040 600.0 0.530 0.639 0.554 0.000 0.000 -0.000 3/23040 610.0 0.522 0.629 0.545 0.000 0.000 -0.000 3/23040 620.0 0.513 0.620 0.537 0.000 0.000 -0.000 3/23040 630.0 0.506 0.610 0.528 0.000 0.000 -0.000 3/23040 640.0 0.498 0.601 0.520 0.000 0.000 -0.000 3/23040 650.0 0.490 0.592 0.513 0.000 0.000 -0.000 3/23040 660.0 0.483 0.583 0.505 0.000 0.000 -0.000 3/23040 670.0 0.476 0.575 0.498 0.000 0.000 -0.000 3/23040 680.0 0.469 0.566 0.491 0.000 0.000 -0.000 3/23040 690.0 0.463 0.558 0.484 0.000 0.000 -0.000 3/23040 700.0 0.456 0.551 0.477 0.000 0.000 -0.000 3/23040 710.0 0.450 0.543 0.471 0.000 0.000 -0.000 3/23040 720.0 0.444 0.536 0.464 0.000 0.000 -0.000 3/23040 730.0 0.438 0.529 0.458 0.000 0.000 -0.000 3/23040 740.0 0.432 0.522 0.452 0.000 0.000 -0.000 3/23040 750.0 0.427 0.515 0.446 0.000 0.000 -0.000 3/23040 760.0 0.421 0.508 0.440 0.000 0.000 -0.000 3/23040 770.0 0.416 0.502 0.435 0.000 0.000 -0.000 3/23040 780.0 0.411 0.496 0.429 0.000 0.000 -0.000 3/23040 790.0 0.406 0.489 0.424 0.000 0.000 -0.000 3/23040 800.0 0.401 0.483 0.419 0.000 0.000 -0.000 3/23040 810.0 0.396 0.478 0.414 0.000 0.000 -0.000 3/23040 820.0 0.391 0.472 0.409 0.000 0.000 -0.000 3/23040 830.0 0.386 0.466 0.404 0.000 0.000 -0.000 3/23040 840.0 0.382 0.461 0.399 0.000 0.000 -0.000 3/23040 850.0 0.378 0.455 0.395 0.000 0.000 -0.000 3/23040 860.0 0.373 0.450 0.390 0.000 0.000 -0.000 3/23040 870.0 0.369 0.445 0.386 0.000 0.000 -0.000 3/23040 880.0 0.365 0.440 0.381 0.000 0.000 -0.000 3/23040 890.0 0.361 0.435 0.377 0.000 0.000 -0.000 3/23040 900.0 0.357 0.431 0.373 0.000 0.000 -0.000 3/23040 910.0 0.353 0.426 0.369 0.000 0.000 -0.000 3/23040 920.0 0.349 0.421 0.365 0.000 0.000 -0.000 3/23040 930.0 0.346 0.417 0.361 0.000 0.000 -0.000 3/23040 940.0 0.342 0.413 0.358 0.000 0.000 -0.000 3/23040 950.0 0.338 0.408 0.354 0.000 0.000 -0.000 3/23040 960.0 0.335 0.404 0.350 0.000 0.000 -0.000 3/23040 970.0 0.332 0.400 0.347 0.000 0.000 -0.000 3/23040 980.0 0.328 0.396 0.343 0.000 0.000 -0.000 3/23040 990.0 0.325 0.392 0.340 0.000 0.000 -0.000 3/23040 1000.0 0.322 0.388 0.336 0.000 0.000 -0.000 3/23040 Thermal conductivity related properties were written into "kappa-m868.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:07:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|