----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:11:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.317338830000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.383125919999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.180841140000001 Atomic positions (fractional): *1 O 0.79187385077238 0.45583210303685 0.79186504961015 15.999 2 O 0.70812614922762 0.54416789696315 0.29186504961015 15.999 3 O 0.29187385077238 0.04416789696315 0.70813495038985 15.999 4 O 0.20812614922762 0.95583210303685 0.20813495038985 15.999 5 O 0.20812614922762 0.54416789696315 0.20813495038985 15.999 6 O 0.29187385077238 0.45583210303685 0.70813495038985 15.999 7 O 0.70812614922762 0.95583210303685 0.29186504961015 15.999 8 O 0.79187385077238 0.04416789696315 0.79186504961015 15.999 *9 O 0.97965098944615 0.25000000000000 0.41672748742854 15.999 10 O 0.52034901055385 0.75000000000000 0.91672748742854 15.999 11 O 0.47965098944615 0.25000000000000 0.08327251257146 15.999 12 O 0.02034901055385 0.75000000000000 0.58327251257146 15.999 *13 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 14 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 15 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 16 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 *17 Tb 0.55167973745180 0.25000000000000 0.51252204123549 158.925 18 Tb 0.94832026254820 0.75000000000000 0.01252204123549 158.925 19 Tb 0.05167973745180 0.25000000000000 0.98747795876451 158.925 20 Tb 0.44832026254820 0.75000000000000 0.48747795876451 158.925 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.317338830000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.383125919999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.180841140000001 Atomic positions (fractional): *1 O 0.79187385077238 0.45583210303685 0.79186504961015 15.999 > 1 2 O 0.70812614922762 0.54416789696315 0.29186504961015 15.999 > 2 3 O 0.29187385077238 0.04416789696315 0.70813495038985 15.999 > 3 4 O 0.20812614922762 0.95583210303685 0.20813495038985 15.999 > 4 5 O 0.20812614922762 0.54416789696315 0.20813495038985 15.999 > 5 6 O 0.29187385077238 0.45583210303685 0.70813495038985 15.999 > 6 7 O 0.70812614922762 0.95583210303685 0.29186504961015 15.999 > 7 8 O 0.79187385077238 0.04416789696315 0.79186504961015 15.999 > 8 *9 O 0.97965098944615 0.25000000000000 0.41672748742854 15.999 > 9 10 O 0.52034901055385 0.75000000000000 0.91672748742854 15.999 > 10 11 O 0.47965098944615 0.25000000000000 0.08327251257146 15.999 > 11 12 O 0.02034901055385 0.75000000000000 0.58327251257146 15.999 > 12 *13 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 13 14 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 14 15 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 15 16 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 16 *17 Tb 0.55167973745180 0.25000000000000 0.51252204123549 158.925 > 17 18 Tb 0.94832026254820 0.75000000000000 0.01252204123549 158.925 > 18 19 Tb 0.05167973745180 0.25000000000000 0.98747795876451 158.925 > 19 20 Tb 0.44832026254820 0.75000000000000 0.48747795876451 158.925 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.634677659999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.383125919999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.361682280000002 Atomic positions (fractional): *1 O 0.39593692538619 0.45583210303685 0.39593252480507 15.999 > 1 2 O 0.89593692538619 0.45583210303685 0.39593252480507 15.999 > 1 3 O 0.39593692538619 0.45583210303685 0.89593252480507 15.999 > 1 4 O 0.89593692538619 0.45583210303685 0.89593252480507 15.999 > 1 5 O 0.35406307461381 0.54416789696315 0.14593252480507 15.999 > 2 6 O 0.85406307461381 0.54416789696315 0.14593252480507 15.999 > 2 7 O 0.35406307461381 0.54416789696315 0.64593252480507 15.999 > 2 8 O 0.85406307461381 0.54416789696315 0.64593252480507 15.999 > 2 9 O 0.14593692538619 0.04416789696315 0.35406747519493 15.999 > 3 10 O 0.64593692538619 0.04416789696315 0.35406747519493 15.999 > 3 11 O 0.14593692538619 0.04416789696315 0.85406747519493 15.999 > 3 12 O 0.64593692538619 0.04416789696315 0.85406747519493 15.999 > 3 13 O 0.10406307461381 0.95583210303685 0.10406747519493 15.999 > 4 14 O 0.60406307461381 0.95583210303685 0.10406747519493 15.999 > 4 15 O 0.10406307461381 0.95583210303685 0.60406747519493 15.999 > 4 16 O 0.60406307461381 0.95583210303685 0.60406747519493 15.999 > 4 17 O 0.10406307461381 0.54416789696315 0.10406747519493 15.999 > 5 18 O 0.60406307461381 0.54416789696315 0.10406747519493 15.999 > 5 19 O 0.10406307461381 0.54416789696315 0.60406747519493 15.999 > 5 20 O 0.60406307461381 0.54416789696315 0.60406747519493 15.999 > 5 21 O 0.14593692538619 0.45583210303685 0.35406747519493 15.999 > 6 22 O 0.64593692538619 0.45583210303685 0.35406747519493 15.999 > 6 23 O 0.14593692538619 0.45583210303685 0.85406747519493 15.999 > 6 24 O 0.64593692538619 0.45583210303685 0.85406747519493 15.999 > 6 25 O 0.35406307461381 0.95583210303685 0.14593252480507 15.999 > 7 26 O 0.85406307461381 0.95583210303685 0.14593252480507 15.999 > 7 27 O 0.35406307461381 0.95583210303685 0.64593252480507 15.999 > 7 28 O 0.85406307461381 0.95583210303685 0.64593252480507 15.999 > 7 29 O 0.39593692538619 0.04416789696315 0.39593252480507 15.999 > 8 30 O 0.89593692538619 0.04416789696315 0.39593252480507 15.999 > 8 31 O 0.39593692538619 0.04416789696315 0.89593252480507 15.999 > 8 32 O 0.89593692538619 0.04416789696315 0.89593252480507 15.999 > 8 *33 O 0.48982549472307 0.25000000000000 0.20836374371427 15.999 > 9 34 O 0.98982549472307 0.25000000000000 0.20836374371427 15.999 > 9 35 O 0.48982549472307 0.25000000000000 0.70836374371427 15.999 > 9 36 O 0.98982549472307 0.25000000000000 0.70836374371427 15.999 > 9 37 O 0.26017450527693 0.75000000000000 0.45836374371427 15.999 > 10 38 O 0.76017450527693 0.75000000000000 0.45836374371427 15.999 > 10 39 O 0.26017450527693 0.75000000000000 0.95836374371427 15.999 > 10 40 O 0.76017450527693 0.75000000000000 0.95836374371427 15.999 > 10 41 O 0.23982549472307 0.25000000000000 0.04163625628573 15.999 > 11 42 O 0.73982549472307 0.25000000000000 0.04163625628573 15.999 > 11 43 O 0.23982549472307 0.25000000000000 0.54163625628573 15.999 > 11 44 O 0.73982549472307 0.25000000000000 0.54163625628573 15.999 > 11 45 O 0.01017450527693 0.75000000000000 0.29163625628573 15.999 > 12 46 O 0.51017450527693 0.75000000000000 0.29163625628573 15.999 > 12 47 O 0.01017450527693 0.75000000000000 0.79163625628573 15.999 > 12 48 O 0.51017450527693 0.75000000000000 0.79163625628573 15.999 > 12 *49 Al 0.25000000000000 0.00000000000000 0.00000000000000 26.982 > 13 50 Al 0.75000000000000 0.00000000000000 0.00000000000000 26.982 > 13 51 Al 0.25000000000000 0.00000000000000 0.50000000000000 26.982 > 13 52 Al 0.75000000000000 0.00000000000000 0.50000000000000 26.982 > 13 53 Al 0.00000000000000 0.00000000000000 0.25000000000000 26.982 > 14 54 Al 0.50000000000000 0.00000000000000 0.25000000000000 26.982 > 14 55 Al 0.00000000000000 0.00000000000000 0.75000000000000 26.982 > 14 56 Al 0.50000000000000 0.00000000000000 0.75000000000000 26.982 > 14 57 Al 0.00000000000000 0.50000000000000 0.25000000000000 26.982 > 15 58 Al 0.50000000000000 0.50000000000000 0.25000000000000 26.982 > 15 59 Al 0.00000000000000 0.50000000000000 0.75000000000000 26.982 > 15 60 Al 0.50000000000000 0.50000000000000 0.75000000000000 26.982 > 15 61 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 16 62 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 16 63 Al 0.25000000000000 0.50000000000000 0.50000000000000 26.982 > 16 64 Al 0.75000000000000 0.50000000000000 0.50000000000000 26.982 > 16 *65 Tb 0.27583986872590 0.25000000000000 0.25626102061774 158.925 > 17 66 Tb 0.77583986872590 0.25000000000000 0.25626102061774 158.925 > 17 67 Tb 0.27583986872590 0.25000000000000 0.75626102061774 158.925 > 17 68 Tb 0.77583986872590 0.25000000000000 0.75626102061774 158.925 > 17 69 Tb 0.47416013127410 0.75000000000000 0.00626102061775 158.925 > 18 70 Tb 0.97416013127410 0.75000000000000 0.00626102061775 158.925 > 18 71 Tb 0.47416013127410 0.75000000000000 0.50626102061775 158.925 > 18 72 Tb 0.97416013127410 0.75000000000000 0.50626102061775 158.925 > 18 73 Tb 0.02583986872590 0.25000000000000 0.49373897938226 158.925 > 19 74 Tb 0.52583986872590 0.25000000000000 0.49373897938226 158.925 > 19 75 Tb 0.02583986872590 0.25000000000000 0.99373897938226 158.925 > 19 76 Tb 0.52583986872590 0.25000000000000 0.99373897938226 158.925 > 19 77 Tb 0.22416013127410 0.75000000000000 0.24373897938225 158.925 > 20 78 Tb 0.72416013127410 0.75000000000000 0.24373897938225 158.925 > 20 79 Tb 0.22416013127410 0.75000000000000 0.74373897938225 158.925 > 20 80 Tb 0.72416013127410 0.75000000000000 0.74373897938225 158.925 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2207331 0.0000000 0.0000000 0.0000000 4.1241543 0.0000000 0.0000000 0.0000000 4.2872894 -------------------------- Born effective charges -------------------------- 1 O -2.3577532 0.0528745 0.0288041 0.0830601 -2.2083056 -0.1167777 -0.0034985 -0.1553827 -2.3000979 2 O -2.3577532 0.0528745 -0.0288041 0.0830601 -2.2083056 0.1167777 0.0034985 0.1553827 -2.3000979 3 O -2.3577532 -0.0528745 -0.0288041 -0.0830601 -2.2083056 -0.1167777 0.0034985 -0.1553827 -2.3000979 4 O -2.3577532 -0.0528745 0.0288041 -0.0830601 -2.2083056 0.1167777 -0.0034985 0.1553827 -2.3000979 5 O -2.3577532 0.0528745 0.0288041 0.0830601 -2.2083056 -0.1167777 -0.0034985 -0.1553827 -2.3000979 6 O -2.3577532 0.0528745 -0.0288041 0.0830601 -2.2083056 0.1167777 0.0034985 0.1553827 -2.3000979 7 O -2.3577532 -0.0528745 -0.0288041 -0.0830601 -2.2083056 -0.1167777 0.0034985 -0.1553827 -2.3000979 8 O -2.3577532 -0.0528745 0.0288041 -0.0830601 -2.2083056 0.1167777 -0.0034985 0.1553827 -2.3000979 9 O -2.1680212 0.0000000 0.2096782 0.0000000 -2.2960246 0.0000000 0.3283143 0.0000000 -2.4269565 10 O -2.1680212 0.0000000 -0.2096782 0.0000000 -2.2960246 0.0000000 -0.3283143 0.0000000 -2.4269565 11 O -2.1680212 0.0000000 -0.2096782 0.0000000 -2.2960246 0.0000000 -0.3283143 0.0000000 -2.4269565 12 O -2.1680212 0.0000000 0.2096782 0.0000000 -2.2960246 0.0000000 0.3283143 0.0000000 -2.4269565 13 Al 2.9452155 -0.0864071 -0.2096982 0.0066928 2.9509349 -0.2040488 -0.0081181 0.0585548 2.9245194 14 Al 2.9452155 -0.0864071 0.2096982 0.0066928 2.9509349 0.2040488 0.0081181 -0.0585548 2.9245194 15 Al 2.9452155 0.0864071 0.2096982 -0.0066928 2.9509349 -0.2040488 0.0081181 0.0585548 2.9245194 16 Al 2.9452155 0.0864071 -0.2096982 -0.0066928 2.9509349 0.2040488 -0.0081181 -0.0585548 2.9245194 17 Tb 3.9383120 0.0000000 0.0273165 0.0000000 3.7617010 0.0000000 -0.1990044 0.0000000 4.1026328 18 Tb 3.9383120 0.0000000 -0.0273165 0.0000000 3.7617010 0.0000000 0.1990044 0.0000000 4.1026328 19 Tb 3.9383120 0.0000000 -0.0273165 0.0000000 3.7617010 0.0000000 0.1990044 0.0000000 4.1026328 20 Tb 3.9383120 0.0000000 0.0273165 0.0000000 3.7617010 0.0000000 -0.1990044 0.0000000 4.1026328 ---------------------------------------------------------------------------- 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: 0.747 Solver_block: 200 / 320 - Time: 0.743 Solver_block: 300 / 320 - Time: 0.742 Solver_block: 320 / 320 - Time: 0.187 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.437 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:11:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:11:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.317338830000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.383125919999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.180841140000001 Atomic positions (fractional): 1 O 0.79187385077238 0.45583210303685 0.79186504961015 15.999 2 O 0.70812614922762 0.54416789696315 0.29186504961015 15.999 3 O 0.29187385077238 0.04416789696315 0.70813495038985 15.999 4 O 0.20812614922762 0.95583210303685 0.20813495038985 15.999 5 O 0.20812614922762 0.54416789696315 0.20813495038985 15.999 6 O 0.29187385077238 0.45583210303685 0.70813495038985 15.999 7 O 0.70812614922762 0.95583210303685 0.29186504961015 15.999 8 O 0.79187385077238 0.04416789696315 0.79186504961015 15.999 9 O 0.97965098944615 0.25000000000000 0.41672748742854 15.999 10 O 0.52034901055385 0.75000000000000 0.91672748742854 15.999 11 O 0.47965098944615 0.25000000000000 0.08327251257146 15.999 12 O 0.02034901055385 0.75000000000000 0.58327251257146 15.999 13 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 14 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 15 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 16 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 17 Tb 0.55167973745180 0.25000000000000 0.51252204123549 158.925 18 Tb 0.94832026254820 0.75000000000000 0.01252204123549 158.925 19 Tb 0.05167973745180 0.25000000000000 0.98747795876451 158.925 20 Tb 0.44832026254820 0.75000000000000 0.48747795876451 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.634677659999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.383125919999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.361682280000002 Atomic positions (fractional): 1 O 0.39593692538619 0.45583210303685 0.39593252480507 15.999 > 1 2 O 0.89593692538619 0.45583210303685 0.39593252480507 15.999 > 1 3 O 0.39593692538619 0.45583210303685 0.89593252480507 15.999 > 1 4 O 0.89593692538619 0.45583210303685 0.89593252480507 15.999 > 1 5 O 0.35406307461381 0.54416789696315 0.14593252480507 15.999 > 5 6 O 0.85406307461381 0.54416789696315 0.14593252480507 15.999 > 5 7 O 0.35406307461381 0.54416789696315 0.64593252480507 15.999 > 5 8 O 0.85406307461381 0.54416789696315 0.64593252480507 15.999 > 5 9 O 0.14593692538619 0.04416789696315 0.35406747519493 15.999 > 9 10 O 0.64593692538619 0.04416789696315 0.35406747519493 15.999 > 9 11 O 0.14593692538619 0.04416789696315 0.85406747519493 15.999 > 9 12 O 0.64593692538619 0.04416789696315 0.85406747519493 15.999 > 9 13 O 0.10406307461381 0.95583210303685 0.10406747519493 15.999 > 13 14 O 0.60406307461381 0.95583210303685 0.10406747519493 15.999 > 13 15 O 0.10406307461381 0.95583210303685 0.60406747519493 15.999 > 13 16 O 0.60406307461381 0.95583210303685 0.60406747519493 15.999 > 13 17 O 0.10406307461381 0.54416789696315 0.10406747519493 15.999 > 17 18 O 0.60406307461381 0.54416789696315 0.10406747519493 15.999 > 17 19 O 0.10406307461381 0.54416789696315 0.60406747519493 15.999 > 17 20 O 0.60406307461381 0.54416789696315 0.60406747519493 15.999 > 17 21 O 0.14593692538619 0.45583210303685 0.35406747519493 15.999 > 21 22 O 0.64593692538619 0.45583210303685 0.35406747519493 15.999 > 21 23 O 0.14593692538619 0.45583210303685 0.85406747519493 15.999 > 21 24 O 0.64593692538619 0.45583210303685 0.85406747519493 15.999 > 21 25 O 0.35406307461381 0.95583210303685 0.14593252480507 15.999 > 25 26 O 0.85406307461381 0.95583210303685 0.14593252480507 15.999 > 25 27 O 0.35406307461381 0.95583210303685 0.64593252480507 15.999 > 25 28 O 0.85406307461381 0.95583210303685 0.64593252480507 15.999 > 25 29 O 0.39593692538619 0.04416789696315 0.39593252480507 15.999 > 29 30 O 0.89593692538619 0.04416789696315 0.39593252480507 15.999 > 29 31 O 0.39593692538619 0.04416789696315 0.89593252480507 15.999 > 29 32 O 0.89593692538619 0.04416789696315 0.89593252480507 15.999 > 29 33 O 0.48982549472307 0.25000000000000 0.20836374371427 15.999 > 33 34 O 0.98982549472307 0.25000000000000 0.20836374371427 15.999 > 33 35 O 0.48982549472307 0.25000000000000 0.70836374371427 15.999 > 33 36 O 0.98982549472307 0.25000000000000 0.70836374371427 15.999 > 33 37 O 0.26017450527693 0.75000000000000 0.45836374371427 15.999 > 37 38 O 0.76017450527693 0.75000000000000 0.45836374371427 15.999 > 37 39 O 0.26017450527693 0.75000000000000 0.95836374371427 15.999 > 37 40 O 0.76017450527693 0.75000000000000 0.95836374371427 15.999 > 37 41 O 0.23982549472307 0.25000000000000 0.04163625628573 15.999 > 41 42 O 0.73982549472307 0.25000000000000 0.04163625628573 15.999 > 41 43 O 0.23982549472307 0.25000000000000 0.54163625628573 15.999 > 41 44 O 0.73982549472307 0.25000000000000 0.54163625628573 15.999 > 41 45 O 0.01017450527693 0.75000000000000 0.29163625628573 15.999 > 45 46 O 0.51017450527693 0.75000000000000 0.29163625628573 15.999 > 45 47 O 0.01017450527693 0.75000000000000 0.79163625628573 15.999 > 45 48 O 0.51017450527693 0.75000000000000 0.79163625628573 15.999 > 45 49 Al 0.25000000000000 0.00000000000000 0.00000000000000 26.982 > 49 50 Al 0.75000000000000 0.00000000000000 0.00000000000000 26.982 > 49 51 Al 0.25000000000000 0.00000000000000 0.50000000000000 26.982 > 49 52 Al 0.75000000000000 0.00000000000000 0.50000000000000 26.982 > 49 53 Al 0.00000000000000 0.00000000000000 0.25000000000000 26.982 > 53 54 Al 0.50000000000000 0.00000000000000 0.25000000000000 26.982 > 53 55 Al 0.00000000000000 0.00000000000000 0.75000000000000 26.982 > 53 56 Al 0.50000000000000 0.00000000000000 0.75000000000000 26.982 > 53 57 Al 0.00000000000000 0.50000000000000 0.25000000000000 26.982 > 57 58 Al 0.50000000000000 0.50000000000000 0.25000000000000 26.982 > 57 59 Al 0.00000000000000 0.50000000000000 0.75000000000000 26.982 > 57 60 Al 0.50000000000000 0.50000000000000 0.75000000000000 26.982 > 57 61 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 61 62 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 61 63 Al 0.25000000000000 0.50000000000000 0.50000000000000 26.982 > 61 64 Al 0.75000000000000 0.50000000000000 0.50000000000000 26.982 > 61 65 Tb 0.27583986872590 0.25000000000000 0.25626102061774 158.925 > 65 66 Tb 0.77583986872590 0.25000000000000 0.25626102061774 158.925 > 65 67 Tb 0.27583986872590 0.25000000000000 0.75626102061774 158.925 > 65 68 Tb 0.77583986872590 0.25000000000000 0.75626102061774 158.925 > 65 69 Tb 0.47416013127410 0.75000000000000 0.00626102061775 158.925 > 69 70 Tb 0.97416013127410 0.75000000000000 0.00626102061775 158.925 > 69 71 Tb 0.47416013127410 0.75000000000000 0.50626102061775 158.925 > 69 72 Tb 0.97416013127410 0.75000000000000 0.50626102061775 158.925 > 69 73 Tb 0.02583986872590 0.25000000000000 0.49373897938226 158.925 > 73 74 Tb 0.52583986872590 0.25000000000000 0.49373897938226 158.925 > 73 75 Tb 0.02583986872590 0.25000000000000 0.99373897938226 158.925 > 73 76 Tb 0.52583986872590 0.25000000000000 0.99373897938226 158.925 > 73 77 Tb 0.22416013127410 0.75000000000000 0.24373897938225 158.925 > 77 78 Tb 0.72416013127410 0.75000000000000 0.24373897938225 158.925 > 77 79 Tb 0.22416013127410 0.75000000000000 0.74373897938225 158.925 > 77 80 Tb 0.72416013127410 0.75000000000000 0.74373897938225 158.925 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2207331 0.0000000 0.0000000 0.0000000 4.1241543 0.0000000 0.0000000 0.0000000 4.2872894 -------------------------- Born effective charges -------------------------- 1 O -2.3577532 0.0528745 0.0288041 0.0830601 -2.2083056 -0.1167777 -0.0034985 -0.1553827 -2.3000979 2 O -2.3577532 0.0528745 -0.0288041 0.0830601 -2.2083056 0.1167777 0.0034985 0.1553827 -2.3000979 3 O -2.3577532 -0.0528745 -0.0288041 -0.0830601 -2.2083056 -0.1167777 0.0034985 -0.1553827 -2.3000979 4 O -2.3577532 -0.0528745 0.0288041 -0.0830601 -2.2083056 0.1167777 -0.0034985 0.1553827 -2.3000979 5 O -2.3577532 0.0528745 0.0288041 0.0830601 -2.2083056 -0.1167777 -0.0034985 -0.1553827 -2.3000979 6 O -2.3577532 0.0528745 -0.0288041 0.0830601 -2.2083056 0.1167777 0.0034985 0.1553827 -2.3000979 7 O -2.3577532 -0.0528745 -0.0288041 -0.0830601 -2.2083056 -0.1167777 0.0034985 -0.1553827 -2.3000979 8 O -2.3577532 -0.0528745 0.0288041 -0.0830601 -2.2083056 0.1167777 -0.0034985 0.1553827 -2.3000979 9 O -2.1680212 0.0000000 0.2096782 0.0000000 -2.2960246 0.0000000 0.3283143 0.0000000 -2.4269565 10 O -2.1680212 0.0000000 -0.2096782 0.0000000 -2.2960246 0.0000000 -0.3283143 0.0000000 -2.4269565 11 O -2.1680212 0.0000000 -0.2096782 0.0000000 -2.2960246 0.0000000 -0.3283143 0.0000000 -2.4269565 12 O -2.1680212 0.0000000 0.2096782 0.0000000 -2.2960246 0.0000000 0.3283143 0.0000000 -2.4269565 13 Al 2.9452155 -0.0864071 -0.2096982 0.0066928 2.9509349 -0.2040488 -0.0081181 0.0585548 2.9245194 14 Al 2.9452155 -0.0864071 0.2096982 0.0066928 2.9509349 0.2040488 0.0081181 -0.0585548 2.9245194 15 Al 2.9452155 0.0864071 0.2096982 -0.0066928 2.9509349 -0.2040488 0.0081181 0.0585548 2.9245194 16 Al 2.9452155 0.0864071 -0.2096982 -0.0066928 2.9509349 0.2040488 -0.0081181 -0.0585548 2.9245194 17 Tb 3.9383120 0.0000000 0.0273165 0.0000000 3.7617010 0.0000000 -0.1990044 0.0000000 4.1026328 18 Tb 3.9383120 0.0000000 -0.0273165 0.0000000 3.7617010 0.0000000 0.1990044 0.0000000 4.1026328 19 Tb 3.9383120 0.0000000 -0.0273165 0.0000000 3.7617010 0.0000000 0.1990044 0.0000000 4.1026328 20 Tb 3.9383120 0.0000000 0.0273165 0.0000000 3.7617010 0.0000000 -0.1990044 0.0000000 4.1026328 ---------------------------------------------------------------------------- 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: 0.00000004 (zzz) 0.00000004 (zzz) 0.00000004 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (yz) -0.00000003 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:11:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:11:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.317338830000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.383125919999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.180841140000001 Atomic positions (fractional): 1 O 0.79187385077238 0.45583210303685 0.79186504961015 15.999 2 O 0.70812614922762 0.54416789696315 0.29186504961015 15.999 3 O 0.29187385077238 0.04416789696315 0.70813495038985 15.999 4 O 0.20812614922762 0.95583210303685 0.20813495038985 15.999 5 O 0.20812614922762 0.54416789696315 0.20813495038985 15.999 6 O 0.29187385077238 0.45583210303685 0.70813495038985 15.999 7 O 0.70812614922762 0.95583210303685 0.29186504961015 15.999 8 O 0.79187385077238 0.04416789696315 0.79186504961015 15.999 9 O 0.97965098944615 0.25000000000000 0.41672748742854 15.999 10 O 0.52034901055385 0.75000000000000 0.91672748742854 15.999 11 O 0.47965098944615 0.25000000000000 0.08327251257146 15.999 12 O 0.02034901055385 0.75000000000000 0.58327251257146 15.999 13 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 14 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 15 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 16 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 17 Tb 0.55167973745180 0.25000000000000 0.51252204123549 158.925 18 Tb 0.94832026254820 0.75000000000000 0.01252204123549 158.925 19 Tb 0.05167973745180 0.25000000000000 0.98747795876451 158.925 20 Tb 0.44832026254820 0.75000000000000 0.48747795876451 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.634677659999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.383125919999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.361682280000002 Atomic positions (fractional): 1 O 0.39593692538619 0.45583210303685 0.39593252480507 15.999 > 1 2 O 0.89593692538619 0.45583210303685 0.39593252480507 15.999 > 1 3 O 0.39593692538619 0.45583210303685 0.89593252480507 15.999 > 1 4 O 0.89593692538619 0.45583210303685 0.89593252480507 15.999 > 1 5 O 0.35406307461381 0.54416789696315 0.14593252480507 15.999 > 5 6 O 0.85406307461381 0.54416789696315 0.14593252480507 15.999 > 5 7 O 0.35406307461381 0.54416789696315 0.64593252480507 15.999 > 5 8 O 0.85406307461381 0.54416789696315 0.64593252480507 15.999 > 5 9 O 0.14593692538619 0.04416789696315 0.35406747519493 15.999 > 9 10 O 0.64593692538619 0.04416789696315 0.35406747519493 15.999 > 9 11 O 0.14593692538619 0.04416789696315 0.85406747519493 15.999 > 9 12 O 0.64593692538619 0.04416789696315 0.85406747519493 15.999 > 9 13 O 0.10406307461381 0.95583210303685 0.10406747519493 15.999 > 13 14 O 0.60406307461381 0.95583210303685 0.10406747519493 15.999 > 13 15 O 0.10406307461381 0.95583210303685 0.60406747519493 15.999 > 13 16 O 0.60406307461381 0.95583210303685 0.60406747519493 15.999 > 13 17 O 0.10406307461381 0.54416789696315 0.10406747519493 15.999 > 17 18 O 0.60406307461381 0.54416789696315 0.10406747519493 15.999 > 17 19 O 0.10406307461381 0.54416789696315 0.60406747519493 15.999 > 17 20 O 0.60406307461381 0.54416789696315 0.60406747519493 15.999 > 17 21 O 0.14593692538619 0.45583210303685 0.35406747519493 15.999 > 21 22 O 0.64593692538619 0.45583210303685 0.35406747519493 15.999 > 21 23 O 0.14593692538619 0.45583210303685 0.85406747519493 15.999 > 21 24 O 0.64593692538619 0.45583210303685 0.85406747519493 15.999 > 21 25 O 0.35406307461381 0.95583210303685 0.14593252480507 15.999 > 25 26 O 0.85406307461381 0.95583210303685 0.14593252480507 15.999 > 25 27 O 0.35406307461381 0.95583210303685 0.64593252480507 15.999 > 25 28 O 0.85406307461381 0.95583210303685 0.64593252480507 15.999 > 25 29 O 0.39593692538619 0.04416789696315 0.39593252480507 15.999 > 29 30 O 0.89593692538619 0.04416789696315 0.39593252480507 15.999 > 29 31 O 0.39593692538619 0.04416789696315 0.89593252480507 15.999 > 29 32 O 0.89593692538619 0.04416789696315 0.89593252480507 15.999 > 29 33 O 0.48982549472307 0.25000000000000 0.20836374371427 15.999 > 33 34 O 0.98982549472307 0.25000000000000 0.20836374371427 15.999 > 33 35 O 0.48982549472307 0.25000000000000 0.70836374371427 15.999 > 33 36 O 0.98982549472307 0.25000000000000 0.70836374371427 15.999 > 33 37 O 0.26017450527693 0.75000000000000 0.45836374371427 15.999 > 37 38 O 0.76017450527693 0.75000000000000 0.45836374371427 15.999 > 37 39 O 0.26017450527693 0.75000000000000 0.95836374371427 15.999 > 37 40 O 0.76017450527693 0.75000000000000 0.95836374371427 15.999 > 37 41 O 0.23982549472307 0.25000000000000 0.04163625628573 15.999 > 41 42 O 0.73982549472307 0.25000000000000 0.04163625628573 15.999 > 41 43 O 0.23982549472307 0.25000000000000 0.54163625628573 15.999 > 41 44 O 0.73982549472307 0.25000000000000 0.54163625628573 15.999 > 41 45 O 0.01017450527693 0.75000000000000 0.29163625628573 15.999 > 45 46 O 0.51017450527693 0.75000000000000 0.29163625628573 15.999 > 45 47 O 0.01017450527693 0.75000000000000 0.79163625628573 15.999 > 45 48 O 0.51017450527693 0.75000000000000 0.79163625628573 15.999 > 45 49 Al 0.25000000000000 0.00000000000000 0.00000000000000 26.982 > 49 50 Al 0.75000000000000 0.00000000000000 0.00000000000000 26.982 > 49 51 Al 0.25000000000000 0.00000000000000 0.50000000000000 26.982 > 49 52 Al 0.75000000000000 0.00000000000000 0.50000000000000 26.982 > 49 53 Al 0.00000000000000 0.00000000000000 0.25000000000000 26.982 > 53 54 Al 0.50000000000000 0.00000000000000 0.25000000000000 26.982 > 53 55 Al 0.00000000000000 0.00000000000000 0.75000000000000 26.982 > 53 56 Al 0.50000000000000 0.00000000000000 0.75000000000000 26.982 > 53 57 Al 0.00000000000000 0.50000000000000 0.25000000000000 26.982 > 57 58 Al 0.50000000000000 0.50000000000000 0.25000000000000 26.982 > 57 59 Al 0.00000000000000 0.50000000000000 0.75000000000000 26.982 > 57 60 Al 0.50000000000000 0.50000000000000 0.75000000000000 26.982 > 57 61 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 61 62 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 61 63 Al 0.25000000000000 0.50000000000000 0.50000000000000 26.982 > 61 64 Al 0.75000000000000 0.50000000000000 0.50000000000000 26.982 > 61 65 Tb 0.27583986872590 0.25000000000000 0.25626102061774 158.925 > 65 66 Tb 0.77583986872590 0.25000000000000 0.25626102061774 158.925 > 65 67 Tb 0.27583986872590 0.25000000000000 0.75626102061774 158.925 > 65 68 Tb 0.77583986872590 0.25000000000000 0.75626102061774 158.925 > 65 69 Tb 0.47416013127410 0.75000000000000 0.00626102061775 158.925 > 69 70 Tb 0.97416013127410 0.75000000000000 0.00626102061775 158.925 > 69 71 Tb 0.47416013127410 0.75000000000000 0.50626102061775 158.925 > 69 72 Tb 0.97416013127410 0.75000000000000 0.50626102061775 158.925 > 69 73 Tb 0.02583986872590 0.25000000000000 0.49373897938226 158.925 > 73 74 Tb 0.52583986872590 0.25000000000000 0.49373897938226 158.925 > 73 75 Tb 0.02583986872590 0.25000000000000 0.99373897938226 158.925 > 73 76 Tb 0.52583986872590 0.25000000000000 0.99373897938226 158.925 > 73 77 Tb 0.22416013127410 0.75000000000000 0.24373897938225 158.925 > 77 78 Tb 0.72416013127410 0.75000000000000 0.24373897938225 158.925 > 77 79 Tb 0.22416013127410 0.75000000000000 0.74373897938225 158.925 > 77 80 Tb 0.72416013127410 0.75000000000000 0.74373897938225 158.925 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2207331 0.0000000 0.0000000 0.0000000 4.1241543 0.0000000 0.0000000 0.0000000 4.2872894 -------------------------- Born effective charges -------------------------- 1 O -2.3577532 0.0528745 0.0288041 0.0830601 -2.2083056 -0.1167777 -0.0034985 -0.1553827 -2.3000979 2 O -2.3577532 0.0528745 -0.0288041 0.0830601 -2.2083056 0.1167777 0.0034985 0.1553827 -2.3000979 3 O -2.3577532 -0.0528745 -0.0288041 -0.0830601 -2.2083056 -0.1167777 0.0034985 -0.1553827 -2.3000979 4 O -2.3577532 -0.0528745 0.0288041 -0.0830601 -2.2083056 0.1167777 -0.0034985 0.1553827 -2.3000979 5 O -2.3577532 0.0528745 0.0288041 0.0830601 -2.2083056 -0.1167777 -0.0034985 -0.1553827 -2.3000979 6 O -2.3577532 0.0528745 -0.0288041 0.0830601 -2.2083056 0.1167777 0.0034985 0.1553827 -2.3000979 7 O -2.3577532 -0.0528745 -0.0288041 -0.0830601 -2.2083056 -0.1167777 0.0034985 -0.1553827 -2.3000979 8 O -2.3577532 -0.0528745 0.0288041 -0.0830601 -2.2083056 0.1167777 -0.0034985 0.1553827 -2.3000979 9 O -2.1680212 0.0000000 0.2096782 0.0000000 -2.2960246 0.0000000 0.3283143 0.0000000 -2.4269565 10 O -2.1680212 0.0000000 -0.2096782 0.0000000 -2.2960246 0.0000000 -0.3283143 0.0000000 -2.4269565 11 O -2.1680212 0.0000000 -0.2096782 0.0000000 -2.2960246 0.0000000 -0.3283143 0.0000000 -2.4269565 12 O -2.1680212 0.0000000 0.2096782 0.0000000 -2.2960246 0.0000000 0.3283143 0.0000000 -2.4269565 13 Al 2.9452155 -0.0864071 -0.2096982 0.0066928 2.9509349 -0.2040488 -0.0081181 0.0585548 2.9245194 14 Al 2.9452155 -0.0864071 0.2096982 0.0066928 2.9509349 0.2040488 0.0081181 -0.0585548 2.9245194 15 Al 2.9452155 0.0864071 0.2096982 -0.0066928 2.9509349 -0.2040488 0.0081181 0.0585548 2.9245194 16 Al 2.9452155 0.0864071 -0.2096982 -0.0066928 2.9509349 0.2040488 -0.0081181 -0.0585548 2.9245194 17 Tb 3.9383120 0.0000000 0.0273165 0.0000000 3.7617010 0.0000000 -0.1990044 0.0000000 4.1026328 18 Tb 3.9383120 0.0000000 -0.0273165 0.0000000 3.7617010 0.0000000 0.1990044 0.0000000 4.1026328 19 Tb 3.9383120 0.0000000 -0.0273165 0.0000000 3.7617010 0.0000000 0.1990044 0.0000000 4.1026328 20 Tb 3.9383120 0.0000000 0.0273165 0.0000000 3.7617010 0.0000000 -0.1990044 0.0000000 4.1026328 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (zzz) 0.00000004 (zzz) 0.00000004 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 7 10 ] 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: 0.71, Number of G-points: 315, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 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 2.996 ( 0.000 0.000 0.000) 0.000 3.264 ( 0.000 0.000 0.000) 0.000 3.482 ( 0.000 0.000 0.000) 0.000 3.875 ( 0.000 0.000 0.000) 0.000 3.973 ( 0.000 0.000 0.000) 0.000 4.346 ( 0.000 0.000 0.000) 0.000 4.422 ( 0.000 0.000 0.000) 0.000 4.744 ( 0.000 0.000 0.000) 0.000 5.244 ( 0.000 0.000 0.000) 0.000 6.266 ( 0.000 0.000 0.000) 0.000 6.352 ( 0.000 0.000 0.000) 0.000 6.769 ( 0.000 0.000 0.000) 0.000 7.164 ( 0.000 0.000 0.000) 0.000 7.414 ( 0.000 0.000 0.000) 0.000 7.775 ( 0.000 0.000 0.000) 0.000 7.794 ( 0.000 0.000 0.000) 0.000 8.306 ( 0.000 0.000 0.000) 0.000 10.090 ( 0.000 0.000 0.000) 0.000 10.105 ( 0.000 0.000 0.000) 0.000 10.305 ( 0.000 0.000 0.000) 0.000 10.591 ( 0.000 0.000 0.000) 0.000 10.623 ( 0.000 0.000 0.000) 0.000 11.170 ( 0.000 0.000 0.000) 0.000 11.328 ( 0.000 0.000 0.000) 0.000 11.419 ( 0.000 0.000 0.000) 0.000 11.811 ( 0.000 0.000 0.000) 0.000 11.869 ( 0.000 0.000 0.000) 0.000 12.172 ( 0.000 0.000 0.000) 0.000 12.521 ( 0.000 0.000 0.000) 0.000 12.719 ( 0.000 0.000 0.000) 0.000 13.034 ( 0.000 0.000 0.000) 0.000 13.079 ( 0.000 0.000 0.000) 0.000 13.116 ( 0.000 0.000 0.000) 0.000 13.168 ( 0.000 0.000 0.000) 0.000 14.130 ( 0.000 0.000 0.000) 0.000 14.178 ( 0.000 0.000 0.000) 0.000 14.229 ( 0.000 0.000 0.000) 0.000 14.241 ( 0.000 0.000 0.000) 0.000 14.488 ( 0.000 0.000 0.000) 0.000 14.610 ( 0.000 0.000 0.000) 0.000 14.824 ( 0.000 0.000 0.000) 0.000 15.446 ( 0.000 0.000 0.000) 0.000 15.452 ( 0.000 0.000 0.000) 0.000 15.906 ( 0.000 0.000 0.000) 0.000 16.261 ( 0.000 0.000 0.000) 0.000 16.574 ( 0.000 0.000 0.000) 0.000 17.023 ( 0.000 0.000 0.000) 0.000 18.357 ( 0.000 0.000 0.000) 0.000 18.550 ( 0.000 0.000 0.000) 0.000 18.752 ( 0.000 0.000 0.000) 0.000 18.948 ( 0.000 0.000 0.000) 0.000 19.415 ( 0.000 0.000 0.000) 0.000 19.566 ( 0.000 0.000 0.000) 0.000 19.612 ( 0.000 0.000 0.000) 0.000 19.834 ( 0.000 0.000 0.000) 0.000 20.861 ( 0.000 0.000 0.000) 0.000 21.762 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 35.879 0.000 0.000) 35.879 0.945 ( 43.879 0.000 0.000) 43.879 1.232 ( 53.700 0.000 0.000) 53.700 3.026 ( 2.694 0.000 0.000) 2.694 3.305 ( 4.134 0.000 0.000) 4.134 3.504 ( 2.052 0.000 0.000) 2.052 3.886 ( -2.551 0.000 0.000) 2.551 3.942 ( -2.803 0.000 0.000) 2.803 4.296 ( -4.615 0.000 0.000) 4.615 4.402 ( -1.854 0.000 0.000) 1.854 4.653 ( -8.478 0.000 0.000) 8.478 5.082 ( -14.225 0.000 0.000) 14.225 6.314 ( 4.477 0.000 0.000) 4.477 6.465 ( 10.476 0.000 0.000) 10.476 7.206 ( 3.835 0.000 0.000) 3.835 7.491 ( 8.466 0.000 0.000) 8.466 7.795 ( 0.129 0.000 0.000) 0.129 8.091 ( 27.139 0.000 0.000) 27.139 8.272 ( 0.216 0.000 0.000) 0.216 8.327 ( 2.179 0.000 0.000) 2.179 9.940 ( -8.861 0.000 0.000) 8.861 10.108 ( -17.603 0.000 0.000) 17.603 10.339 ( 8.399 0.000 0.000) 8.399 10.544 ( -4.654 0.000 0.000) 4.654 10.631 ( 1.474 0.000 0.000) 1.474 11.165 ( -12.208 0.000 0.000) 12.208 11.209 ( -10.538 0.000 0.000) 10.538 11.509 ( 6.705 0.000 0.000) 6.705 11.812 ( -5.080 0.000 0.000) 5.080 11.954 ( 12.032 0.000 0.000) 12.032 12.236 ( 4.530 0.000 0.000) 4.530 12.625 ( 6.006 0.000 0.000) 6.006 12.844 ( 10.447 0.000 0.000) 10.447 13.027 ( -0.357 0.000 0.000) 0.357 13.100 ( 1.785 0.000 0.000) 1.785 13.211 ( 4.755 0.000 0.000) 4.755 14.140 ( -1.629 0.000 0.000) 1.629 14.217 ( -0.260 0.000 0.000) 0.260 14.223 ( -4.326 0.000 0.000) 4.326 14.395 ( 18.520 0.000 0.000) 18.520 14.561 ( 9.666 0.000 0.000) 9.666 14.573 ( -0.591 0.000 0.000) 0.591 14.723 ( -6.884 0.000 0.000) 6.884 15.439 ( -0.966 0.000 0.000) 0.966 15.697 ( 18.589 0.000 0.000) 18.589 15.830 ( -6.942 0.000 0.000) 6.942 16.109 ( 0.766 0.000 0.000) 0.766 16.120 ( -28.507 0.000 0.000) 28.507 17.388 ( 21.257 0.000 0.000) 21.257 17.726 ( 2.119 0.000 0.000) 2.119 18.061 ( -24.121 0.000 0.000) 24.121 18.541 ( -2.035 0.000 0.000) 2.035 18.886 ( -4.899 0.000 0.000) 4.899 19.398 ( -1.657 0.000 0.000) 1.657 19.457 ( -10.126 0.000 0.000) 10.126 19.500 ( -10.516 0.000 0.000) 10.516 20.107 ( 21.793 0.000 0.000) 21.793 20.904 ( 3.847 0.000 0.000) 3.847 21.770 ( 0.605 0.000 0.000) 0.605 21.823 ( -2.234 0.000 0.000) 2.234 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 32.926 0.000 0.000) 32.926 1.804 ( 37.605 0.000 0.000) 37.605 2.141 ( 31.969 0.000 0.000) 31.969 3.098 ( 3.796 0.000 0.000) 3.796 3.431 ( 5.905 0.000 0.000) 5.905 3.563 ( 3.371 0.000 0.000) 3.371 3.840 ( -0.029 0.000 0.000) 0.029 3.866 ( -4.128 0.000 0.000) 4.128 4.170 ( -6.849 0.000 0.000) 6.849 4.343 ( -3.822 0.000 0.000) 3.822 4.412 ( -13.746 0.000 0.000) 13.746 4.719 ( -18.840 0.000 0.000) 18.840 6.451 ( 8.759 0.000 0.000) 8.759 6.770 ( 18.101 0.000 0.000) 18.101 7.304 ( 4.863 0.000 0.000) 4.863 7.744 ( 14.306 0.000 0.000) 14.306 7.806 ( 1.379 0.000 0.000) 1.379 8.323 ( 5.277 0.000 0.000) 5.277 8.404 ( 5.270 0.000 0.000) 5.270 8.807 ( 39.675 0.000 0.000) 39.675 9.641 ( -25.655 0.000 0.000) 25.655 9.755 ( -8.755 0.000 0.000) 8.755 10.391 ( -10.132 0.000 0.000) 10.132 10.472 ( 1.845 0.000 0.000) 1.845 10.696 ( 4.854 0.000 0.000) 4.854 10.897 ( -9.413 0.000 0.000) 9.413 10.932 ( -14.992 0.000 0.000) 14.992 11.624 ( 2.974 0.000 0.000) 2.974 11.673 ( -8.004 0.000 0.000) 8.004 12.251 ( -5.674 0.000 0.000) 5.674 12.276 ( 18.360 0.000 0.000) 18.360 12.850 ( 15.042 0.000 0.000) 15.042 13.050 ( 7.191 0.000 0.000) 7.191 13.074 ( 6.637 0.000 0.000) 6.637 13.146 ( 2.470 0.000 0.000) 2.470 13.425 ( 16.549 0.000 0.000) 16.549 13.992 ( -15.994 0.000 0.000) 15.994 14.009 ( -10.133 0.000 0.000) 10.133 14.256 ( 4.184 0.000 0.000) 4.184 14.591 ( -5.406 0.000 0.000) 5.406 14.676 ( 8.979 0.000 0.000) 8.979 14.807 ( 16.652 0.000 0.000) 16.652 14.947 ( 26.438 0.000 0.000) 26.438 15.403 ( -1.990 0.000 0.000) 1.990 15.416 ( -32.083 0.000 0.000) 32.083 15.624 ( -12.688 0.000 0.000) 12.688 16.189 ( 9.502 0.000 0.000) 9.502 16.245 ( 26.794 0.000 0.000) 26.794 17.485 ( -29.267 0.000 0.000) 29.267 17.770 ( 14.702 0.000 0.000) 14.702 17.793 ( 4.245 0.000 0.000) 4.245 18.368 ( -16.002 0.000 0.000) 16.002 18.836 ( 1.470 0.000 0.000) 1.470 19.155 ( -18.367 0.000 0.000) 18.367 19.186 ( -19.268 0.000 0.000) 19.268 19.347 ( -3.199 0.000 0.000) 3.199 20.604 ( 23.971 0.000 0.000) 23.971 21.012 ( 6.375 0.000 0.000) 6.375 21.755 ( -4.295 0.000 0.000) 4.295 21.778 ( -0.147 0.000 0.000) 0.147 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 28.065 0.000 0.000) 28.065 2.487 ( 27.167 0.000 0.000) 27.167 2.616 ( 16.278 0.000 0.000) 16.278 3.162 ( 1.634 0.000 0.000) 1.634 3.416 ( -7.075 0.000 0.000) 7.075 3.604 ( -2.052 0.000 0.000) 2.052 3.795 ( -1.156 0.000 0.000) 1.156 3.931 ( 5.647 0.000 0.000) 5.647 4.038 ( -5.076 0.000 0.000) 5.076 4.139 ( -10.177 0.000 0.000) 10.177 4.244 ( -5.491 0.000 0.000) 5.491 4.349 ( -15.678 0.000 0.000) 15.678 6.687 ( 13.821 0.000 0.000) 13.821 7.189 ( 21.035 0.000 0.000) 21.035 7.374 ( 0.752 0.000 0.000) 0.752 7.864 ( 3.414 0.000 0.000) 3.414 8.038 ( 13.176 0.000 0.000) 13.176 8.492 ( 10.404 0.000 0.000) 10.404 8.543 ( 7.693 0.000 0.000) 7.693 9.089 ( -25.884 0.000 0.000) 25.884 9.581 ( -7.284 0.000 0.000) 7.284 9.684 ( 42.877 0.000 0.000) 42.877 10.118 ( -15.863 0.000 0.000) 15.863 10.343 ( -9.883 0.000 0.000) 9.883 10.615 ( -14.705 0.000 0.000) 14.705 10.833 ( 8.185 0.000 0.000) 8.185 10.922 ( 9.498 0.000 0.000) 9.498 11.484 ( -9.997 0.000 0.000) 9.997 11.579 ( -8.613 0.000 0.000) 8.613 11.987 ( -17.901 0.000 0.000) 17.901 12.701 ( 21.703 0.000 0.000) 21.703 13.159 ( 4.220 0.000 0.000) 4.220 13.203 ( 3.224 0.000 0.000) 3.224 13.219 ( 19.525 0.000 0.000) 19.525 13.292 ( 11.711 0.000 0.000) 11.711 13.645 ( -15.437 0.000 0.000) 15.437 13.756 ( -12.046 0.000 0.000) 12.046 13.850 ( 21.120 0.000 0.000) 21.120 14.335 ( 0.901 0.000 0.000) 0.901 14.552 ( 3.839 0.000 0.000) 3.839 14.758 ( -29.428 0.000 0.000) 29.428 14.817 ( 0.637 0.000 0.000) 0.637 14.952 ( -3.438 0.000 0.000) 3.438 15.317 ( -15.713 0.000 0.000) 15.713 15.434 ( 8.061 0.000 0.000) 8.061 15.614 ( 35.987 0.000 0.000) 35.987 16.589 ( 28.068 0.000 0.000) 28.068 16.835 ( 28.842 0.000 0.000) 28.842 16.876 ( -28.465 0.000 0.000) 28.465 17.892 ( 4.743 0.000 0.000) 4.743 17.900 ( -27.908 0.000 0.000) 27.908 17.994 ( 6.814 0.000 0.000) 6.814 18.707 ( -26.187 0.000 0.000) 26.187 18.712 ( -23.364 0.000 0.000) 23.364 18.917 ( 5.335 0.000 0.000) 5.335 19.266 ( -4.531 0.000 0.000) 4.531 21.067 ( 19.782 0.000 0.000) 19.782 21.163 ( 7.863 0.000 0.000) 7.863 21.645 ( -6.130 0.000 0.000) 6.130 21.749 ( -2.949 0.000 0.000) 2.949 ======================= Grid point 4 (5/120) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( 20.307 0.000 0.000) 20.307 2.863 ( 3.793 0.000 0.000) 3.793 2.928 ( 15.166 0.000 0.000) 15.166 3.134 ( -5.014 0.000 0.000) 5.014 3.251 ( -3.429 0.000 0.000) 3.429 3.414 ( -13.220 0.000 0.000) 13.220 3.855 ( 5.352 0.000 0.000) 5.352 3.959 ( -3.088 0.000 0.000) 3.088 3.989 ( 0.989 0.000 0.000) 0.989 4.051 ( 1.098 0.000 0.000) 1.098 4.090 ( -8.744 0.000 0.000) 8.744 4.127 ( -5.238 0.000 0.000) 5.238 7.011 ( 16.123 0.000 0.000) 16.123 7.292 ( -9.187 0.000 0.000) 9.187 7.604 ( 17.467 0.000 0.000) 17.467 7.860 ( -5.905 0.000 0.000) 5.905 8.298 ( 12.463 0.000 0.000) 12.463 8.612 ( -18.808 0.000 0.000) 18.808 8.697 ( 5.731 0.000 0.000) 5.731 8.701 ( 6.709 0.000 0.000) 6.709 9.513 ( 3.311 0.000 0.000) 3.311 9.755 ( -17.277 0.000 0.000) 17.277 10.227 ( 0.218 0.000 0.000) 0.218 10.346 ( -10.250 0.000 0.000) 10.250 10.544 ( 38.092 0.000 0.000) 38.092 11.030 ( 10.116 0.000 0.000) 10.116 11.196 ( 16.061 0.000 0.000) 16.061 11.225 ( -25.119 0.000 0.000) 25.119 11.262 ( -11.015 0.000 0.000) 11.015 11.578 ( -19.873 0.000 0.000) 19.873 13.144 ( 19.288 0.000 0.000) 19.288 13.248 ( 4.614 0.000 0.000) 4.614 13.294 ( 5.117 0.000 0.000) 5.117 13.398 ( -7.175 0.000 0.000) 7.175 13.412 ( -3.640 0.000 0.000) 3.640 13.500 ( -11.002 0.000 0.000) 11.002 13.647 ( 21.438 0.000 0.000) 21.438 14.130 ( -24.570 0.000 0.000) 24.570 14.297 ( 20.159 0.000 0.000) 20.159 14.430 ( 7.719 0.000 0.000) 7.719 14.661 ( -13.838 0.000 0.000) 13.838 14.718 ( -16.087 0.000 0.000) 16.087 14.754 ( 11.775 0.000 0.000) 11.775 15.015 ( -13.062 0.000 0.000) 13.062 15.762 ( 21.283 0.000 0.000) 21.283 16.221 ( -11.630 0.000 0.000) 11.630 16.488 ( 24.296 0.000 0.000) 24.296 17.230 ( -35.484 0.000 0.000) 35.484 17.249 ( 31.317 0.000 0.000) 31.317 17.403 ( 22.265 0.000 0.000) 22.265 17.950 ( -1.920 0.000 0.000) 1.920 18.031 ( -10.025 0.000 0.000) 10.025 18.165 ( -15.407 0.000 0.000) 15.407 18.237 ( -18.060 0.000 0.000) 18.060 19.038 ( 5.994 0.000 0.000) 5.994 19.160 ( -5.538 0.000 0.000) 5.538 21.334 ( 8.278 0.000 0.000) 8.278 21.418 ( 13.725 0.000 0.000) 13.725 21.501 ( -7.584 0.000 0.000) 7.584 21.641 ( -7.710 0.000 0.000) 7.710 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 0.000 40.964 0.000) 40.964 0.857 ( 0.000 43.014 0.000) 43.014 1.318 ( 0.000 66.002 0.000) 66.002 3.024 ( 0.000 1.923 0.000) 1.923 3.214 ( 0.000 -5.242 0.000) 5.242 3.449 ( 0.000 -2.611 0.000) 2.611 3.881 ( 0.000 0.556 0.000) 0.556 4.011 ( 0.000 3.689 0.000) 3.689 4.293 ( 0.000 -5.290 0.000) 5.290 4.399 ( 0.000 -2.126 0.000) 2.126 4.706 ( 0.000 -3.822 0.000) 3.822 5.170 ( 0.000 -7.651 0.000) 7.651 6.393 ( 0.000 4.131 0.000) 4.131 6.773 ( 0.000 0.746 0.000) 0.746 7.130 ( 0.000 -3.485 0.000) 3.485 7.467 ( 0.000 5.054 0.000) 5.054 7.622 ( 0.000 -8.848 0.000) 8.848 7.843 ( 0.000 -1.829 0.000) 1.829 8.184 ( 0.000 5.433 0.000) 5.433 8.384 ( 0.000 8.107 0.000) 8.107 10.001 ( 0.000 -12.190 0.000) 12.190 10.167 ( 0.000 7.396 0.000) 7.396 10.411 ( 0.000 -17.418 0.000) 17.418 10.417 ( 0.000 10.382 0.000) 10.382 10.736 ( 0.000 11.933 0.000) 11.933 10.911 ( 0.000 -17.751 0.000) 17.751 11.156 ( 0.000 -8.008 0.000) 8.008 11.651 ( 0.000 12.882 0.000) 12.882 11.832 ( 0.000 2.228 0.000) 2.228 12.092 ( 0.000 14.585 0.000) 14.585 12.169 ( 0.000 0.174 0.000) 0.174 12.530 ( 0.000 1.775 0.000) 1.775 12.765 ( 0.000 0.421 0.000) 0.421 13.008 ( 0.000 -2.721 0.000) 2.721 13.132 ( 0.000 1.732 0.000) 1.732 13.135 ( 0.000 5.431 0.000) 5.431 14.048 ( 0.000 -10.087 0.000) 10.087 14.100 ( 0.000 -11.126 0.000) 11.126 14.154 ( 0.000 2.418 0.000) 2.418 14.185 ( 0.000 -6.272 0.000) 6.272 14.369 ( 0.000 3.477 0.000) 3.477 14.474 ( 0.000 -12.226 0.000) 12.226 15.009 ( 0.000 17.699 0.000) 17.699 15.538 ( 0.000 9.061 0.000) 9.061 15.567 ( 0.000 10.112 0.000) 10.112 15.905 ( 0.000 -0.015 0.000) 0.015 16.226 ( 0.000 -3.543 0.000) 3.543 16.533 ( 0.000 -3.935 0.000) 3.935 16.953 ( 0.000 -7.126 0.000) 7.126 17.761 ( 0.000 4.576 0.000) 4.576 18.342 ( 0.000 -22.963 0.000) 22.963 18.405 ( 0.000 2.223 0.000) 2.223 18.726 ( 0.000 -2.849 0.000) 2.849 18.908 ( 0.000 -0.350 0.000) 0.350 19.185 ( 0.000 -22.779 0.000) 22.779 19.565 ( 0.000 -4.666 0.000) 4.666 20.263 ( 0.000 27.756 0.000) 27.756 21.028 ( 0.000 14.810 0.000) 14.810 21.776 ( 0.000 1.138 0.000) 1.138 22.259 ( 0.000 -7.104 0.000) 7.104 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 23.491 23.127 0.000) 32.965 1.094 ( 22.992 28.263 0.000) 36.434 1.904 ( 38.426 46.811 0.000) 60.562 3.040 ( 1.471 0.717 0.000) 1.637 3.234 ( 3.356 -6.310 0.000) 7.147 3.472 ( 2.100 -2.636 0.000) 3.370 3.876 ( -1.791 -0.566 0.000) 1.878 3.977 ( -3.123 3.274 0.000) 4.525 4.238 ( -5.035 -5.506 0.000) 7.462 4.378 ( -1.942 -2.207 0.000) 2.940 4.628 ( -7.287 -2.684 0.000) 7.765 5.024 ( -12.873 -6.097 0.000) 14.244 6.501 ( 10.082 3.719 0.000) 10.747 6.657 ( -4.186 22.300 0.000) 22.689 7.177 ( 4.236 -3.091 0.000) 5.244 7.430 ( 5.807 -3.311 0.000) 6.685 7.776 ( 5.418 -3.076 0.000) 6.230 8.056 ( 20.154 -7.157 0.000) 21.387 8.171 ( 3.981 -0.160 0.000) 3.984 8.401 ( 1.703 7.625 0.000) 7.813 9.877 ( -7.571 -7.545 0.000) 10.689 10.080 ( -19.939 -6.551 0.000) 20.988 10.316 ( 7.648 -1.276 0.000) 7.754 10.555 ( 1.125 4.297 0.000) 4.442 10.717 ( -0.540 9.104 0.000) 9.120 10.876 ( -4.633 -17.342 0.000) 17.950 11.132 ( -4.170 -5.646 0.000) 7.019 11.589 ( -2.612 5.608 0.000) 6.186 11.890 ( 4.042 2.719 0.000) 4.872 12.180 ( 1.955 17.345 0.000) 17.455 12.276 ( 7.280 4.268 0.000) 8.439 12.537 ( 3.212 -5.422 0.000) 6.302 12.888 ( 12.272 3.667 0.000) 12.809 12.988 ( -1.582 -3.313 0.000) 3.671 13.165 ( 2.653 5.897 0.000) 6.466 13.296 ( 9.927 5.190 0.000) 11.201 14.006 ( -3.299 -11.418 0.000) 11.885 14.108 ( 0.430 -10.330 0.000) 10.339 14.161 ( -3.131 -6.462 0.000) 7.181 14.391 ( -5.751 -11.288 0.000) 12.669 14.395 ( 19.833 1.190 0.000) 19.868 14.559 ( 15.037 0.902 0.000) 15.064 15.007 ( 0.154 21.438 0.000) 21.439 15.418 ( -4.348 0.348 0.000) 4.362 15.848 ( 18.335 11.748 0.000) 21.776 15.900 ( -5.456 3.128 0.000) 6.289 16.083 ( -28.841 -2.649 0.000) 28.962 16.090 ( -4.850 -2.153 0.000) 5.306 17.318 ( 21.108 -7.069 0.000) 22.260 17.745 ( -1.774 2.812 0.000) 3.325 18.128 ( -20.623 5.376 0.000) 21.312 18.367 ( 2.107 -21.565 0.000) 21.667 18.812 ( -8.977 -1.688 0.000) 9.135 18.930 ( 8.049 -25.987 0.000) 27.205 19.212 ( -1.497 -18.664 0.000) 18.724 19.457 ( -10.218 -4.415 0.000) 11.131 20.407 ( 13.542 23.683 0.000) 27.281 21.065 ( 3.435 14.426 0.000) 14.830 21.785 ( 0.732 1.268 0.000) 1.464 22.042 ( -11.186 7.219 0.000) 13.313 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 27.399 14.809 0.000) 31.145 1.640 ( 30.920 -1.918 0.000) 30.980 2.591 ( 24.386 30.579 0.000) 39.112 3.082 ( 2.368 -1.913 0.000) 3.044 3.371 ( 8.232 -5.773 0.000) 10.055 3.528 ( 2.881 -3.173 0.000) 4.285 3.815 ( -2.852 -2.454 0.000) 3.762 3.887 ( -5.307 1.064 0.000) 5.412 4.102 ( -7.375 -5.003 0.000) 8.912 4.319 ( -3.731 -2.074 0.000) 4.268 4.425 ( -11.217 0.377 0.000) 11.223 4.697 ( -16.831 -2.430 0.000) 17.006 6.664 ( 4.434 19.663 0.000) 20.156 6.794 ( 17.305 2.511 0.000) 17.487 7.289 ( 5.840 -1.757 0.000) 6.099 7.653 ( 12.633 -6.156 0.000) 14.053 7.855 ( 4.778 2.470 0.000) 5.378 8.256 ( 8.524 -4.767 0.000) 9.766 8.459 ( 3.875 5.636 0.000) 6.839 8.727 ( 35.817 -7.434 0.000) 36.580 9.604 ( -24.902 -4.973 0.000) 25.394 9.732 ( -5.158 -3.779 0.000) 6.394 10.417 ( 0.076 -5.130 0.000) 5.130 10.456 ( -9.463 8.198 0.000) 12.520 10.749 ( 2.413 4.516 0.000) 5.120 10.769 ( -2.353 -8.545 0.000) 8.863 10.953 ( -10.992 2.052 0.000) 11.181 11.597 ( 1.697 -2.554 0.000) 3.066 11.856 ( -7.421 13.353 0.000) 15.276 12.327 ( -5.433 7.528 0.000) 9.284 12.329 ( 13.958 6.308 0.000) 15.317 12.709 ( 12.683 -11.277 0.000) 16.972 12.990 ( 3.186 -5.858 0.000) 6.668 13.142 ( 9.254 8.278 0.000) 12.416 13.243 ( 5.159 7.237 0.000) 8.888 13.561 ( 16.640 9.791 0.000) 19.307 13.893 ( -6.846 -9.697 0.000) 11.871 13.956 ( -14.661 -3.940 0.000) 15.181 14.140 ( 1.685 -12.116 0.000) 12.232 14.351 ( 1.954 -10.201 0.000) 10.386 14.882 ( 20.142 5.882 0.000) 20.983 14.949 ( 24.934 0.301 0.000) 24.935 15.044 ( 1.669 22.610 0.000) 22.672 15.259 ( -13.994 -3.783 0.000) 14.496 15.547 ( -16.568 2.938 0.000) 16.826 15.643 ( -16.213 1.847 0.000) 16.318 16.136 ( 8.773 -5.084 0.000) 10.139 16.303 ( 24.517 6.971 0.000) 25.489 17.491 ( -23.998 1.305 0.000) 24.033 17.697 ( 14.470 -7.339 0.000) 16.225 17.876 ( -0.645 7.489 0.000) 7.517 18.363 ( -8.122 -5.541 0.000) 9.832 18.597 ( -5.936 -17.125 0.000) 18.125 18.934 ( -9.149 -23.230 0.000) 24.967 19.101 ( -5.518 -16.875 0.000) 17.755 19.149 ( -18.956 -4.112 0.000) 19.397 20.773 ( 19.614 15.542 0.000) 25.025 21.163 ( 5.757 13.499 0.000) 14.675 21.797 ( 0.147 1.699 0.000) 1.706 21.869 ( -6.525 7.442 0.000) 9.897 ======================= Grid point 12 (9/120) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 24.714 6.541 0.000) 25.565 2.225 ( 24.339 -10.636 0.000) 26.561 2.957 ( 12.965 18.437 0.000) 22.539 3.126 ( 1.343 -3.520 0.000) 3.767 3.417 ( -5.000 0.231 0.000) 5.006 3.555 ( -1.703 -5.138 0.000) 5.413 3.769 ( -5.528 -3.795 0.000) 6.706 3.799 ( -0.391 -12.345 0.000) 12.351 3.967 ( -4.073 -1.773 0.000) 4.443 4.213 ( -7.615 3.689 0.000) 8.461 4.227 ( -4.960 -1.123 0.000) 5.086 4.380 ( -12.410 2.133 0.000) 12.592 6.833 ( 11.432 14.200 0.000) 18.229 7.188 ( 18.952 0.317 0.000) 18.955 7.392 ( 3.612 1.288 0.000) 3.835 7.858 ( 5.832 -0.845 0.000) 5.893 8.027 ( 10.862 -0.460 0.000) 10.872 8.488 ( 13.067 0.111 0.000) 13.067 8.555 ( 4.740 1.347 0.000) 4.928 9.080 ( -23.810 -1.720 0.000) 23.872 9.322 ( 11.441 -15.877 0.000) 19.570 9.858 ( 26.254 6.878 0.000) 27.140 10.185 ( -16.241 7.812 0.000) 18.023 10.313 ( -6.651 -2.251 0.000) 7.021 10.628 ( -12.590 1.798 0.000) 12.718 10.854 ( 8.785 -5.489 0.000) 10.359 10.910 ( 6.218 6.451 0.000) 8.960 11.570 ( -6.294 -1.218 0.000) 6.411 11.665 ( -9.798 15.544 0.000) 18.375 12.048 ( -19.054 6.216 0.000) 20.042 12.677 ( 17.306 -1.682 0.000) 17.388 13.036 ( 17.977 -13.877 0.000) 22.710 13.074 ( 2.702 -9.361 0.000) 9.743 13.282 ( 5.514 11.385 0.000) 12.650 13.374 ( 4.447 5.225 0.000) 6.861 13.669 ( -8.005 -8.404 0.000) 11.606 13.674 ( -7.983 1.896 0.000) 8.205 14.037 ( 21.546 14.205 0.000) 25.807 14.156 ( 0.557 -14.907 0.000) 14.917 14.426 ( 0.149 -9.024 0.000) 9.025 14.705 ( -19.630 1.030 0.000) 19.657 15.029 ( -5.525 6.988 0.000) 8.909 15.145 ( -6.481 19.763 0.000) 20.799 15.268 ( -15.915 -4.437 0.000) 16.522 15.491 ( 10.860 6.303 0.000) 12.556 15.642 ( 36.074 2.938 0.000) 36.193 16.494 ( 21.851 -7.376 0.000) 23.062 16.846 ( 26.861 1.691 0.000) 26.915 16.976 ( -20.366 7.924 0.000) 21.853 17.855 ( -11.134 -5.277 0.000) 12.321 17.911 ( 2.244 2.028 0.000) 3.024 18.011 ( -9.343 2.426 0.000) 9.653 18.592 ( -20.628 -12.181 0.000) 23.956 18.596 ( -8.761 -17.822 0.000) 19.859 18.717 ( -11.808 -11.943 0.000) 16.795 19.016 ( -4.073 -22.188 0.000) 22.559 21.169 ( 17.469 9.812 0.000) 20.036 21.298 ( 7.032 12.140 0.000) 14.030 21.739 ( -6.214 7.443 0.000) 9.696 21.777 ( -2.411 2.552 0.000) 3.510 ======================= Grid point 13 (10/120) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( 15.183 -0.952 0.000) 15.213 2.639 ( 13.952 -11.055 0.000) 17.801 3.101 ( -3.728 -1.680 0.000) 4.090 3.115 ( -2.008 7.662 0.000) 7.921 3.316 ( 2.125 6.371 0.000) 6.717 3.447 ( -7.021 0.411 0.000) 7.033 3.684 ( -1.357 -12.010 0.000) 12.086 3.732 ( -4.721 -17.617 0.000) 18.239 3.976 ( 4.282 -0.522 0.000) 4.313 4.102 ( -6.883 -1.090 0.000) 6.969 4.137 ( 0.161 4.550 0.000) 4.553 4.198 ( -5.388 4.657 0.000) 7.122 7.109 ( 13.630 9.492 0.000) 16.609 7.330 ( -5.799 3.639 0.000) 6.847 7.613 ( 16.131 0.703 0.000) 16.146 7.862 ( -6.255 -0.072 0.000) 6.256 8.261 ( 11.606 -2.954 0.000) 11.976 8.529 ( -12.166 -5.041 0.000) 13.169 8.728 ( 6.816 1.738 0.000) 7.034 8.764 ( -1.555 2.830 0.000) 3.229 9.455 ( 10.072 -3.569 0.000) 10.686 9.797 ( -19.756 5.595 0.000) 20.533 10.250 ( 1.782 2.243 0.000) 2.865 10.381 ( -9.975 3.501 0.000) 10.571 10.599 ( 36.739 4.048 0.000) 36.962 11.060 ( 5.965 1.772 0.000) 6.222 11.062 ( 8.737 -7.038 0.000) 11.219 11.266 ( -23.286 3.241 0.000) 23.510 11.492 ( -4.343 15.996 0.000) 16.575 11.638 ( -17.070 6.722 0.000) 18.346 12.973 ( 9.596 -11.807 0.000) 15.215 13.081 ( -1.875 -15.727 0.000) 15.838 13.332 ( 3.488 -0.989 0.000) 3.625 13.351 ( -1.951 2.928 0.000) 3.518 13.501 ( 19.745 2.036 0.000) 19.850 13.555 ( 1.468 -3.657 0.000) 3.940 13.630 ( -3.046 5.809 0.000) 6.559 14.018 ( -26.113 -6.678 0.000) 26.953 14.290 ( 13.807 -7.324 0.000) 15.630 14.478 ( 17.306 15.007 0.000) 22.906 14.714 ( -17.491 -1.522 0.000) 17.557 14.747 ( 10.692 -0.408 0.000) 10.700 14.899 ( -14.978 14.955 0.000) 21.166 14.999 ( -11.603 -0.530 0.000) 11.615 15.855 ( 21.237 9.808 0.000) 23.392 16.300 ( -10.804 7.970 0.000) 13.425 16.491 ( 26.595 0.557 0.000) 26.600 17.244 ( -33.604 1.322 0.000) 33.630 17.251 ( 31.138 -0.217 0.000) 31.139 17.395 ( 21.284 -0.548 0.000) 21.292 17.897 ( -7.293 -5.229 0.000) 8.974 17.983 ( -14.935 -4.732 0.000) 15.667 18.112 ( -11.946 -5.040 0.000) 12.966 18.179 ( -14.007 -5.340 0.000) 14.990 18.791 ( 6.281 -23.555 0.000) 24.379 18.916 ( -5.501 -22.938 0.000) 23.588 21.450 ( 7.316 10.361 0.000) 12.683 21.481 ( 12.038 6.196 0.000) 13.539 21.603 ( -6.622 8.719 0.000) 10.949 21.684 ( -6.777 4.037 0.000) 7.888 ======================= Grid point 18 (11/120) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 0.000 36.412 0.000) 36.412 1.641 ( 0.000 37.358 0.000) 37.358 2.509 ( 0.000 55.739 0.000) 55.739 2.985 ( 0.000 -8.351 0.000) 8.351 3.055 ( 0.000 -11.448 0.000) 11.448 3.454 ( 0.000 5.187 0.000) 5.187 3.889 ( 0.000 -0.248 0.000) 0.248 4.069 ( 0.000 -2.626 0.000) 2.626 4.187 ( 0.000 -0.648 0.000) 0.648 4.354 ( 0.000 -1.971 0.000) 1.971 4.603 ( 0.000 -6.664 0.000) 6.664 4.947 ( 0.000 -15.321 0.000) 15.321 6.508 ( 0.000 7.591 0.000) 7.591 6.817 ( 0.000 4.341 0.000) 4.341 7.028 ( 0.000 -7.048 0.000) 7.048 7.425 ( 0.000 -11.953 0.000) 11.953 7.586 ( 0.000 6.513 0.000) 6.513 7.778 ( 0.000 -2.804 0.000) 2.804 8.342 ( 0.000 10.460 0.000) 10.460 8.620 ( 0.000 16.134 0.000) 16.134 9.603 ( 0.000 -27.336 0.000) 27.336 9.984 ( 0.000 -25.204 0.000) 25.204 10.338 ( 0.000 9.156 0.000) 9.156 10.635 ( 0.000 10.703 0.000) 10.703 10.670 ( 0.000 -6.983 0.000) 6.983 11.032 ( 0.000 -5.459 0.000) 5.459 11.087 ( 0.000 23.254 0.000) 23.254 11.836 ( 0.000 5.268 0.000) 5.268 11.901 ( 0.000 5.002 0.000) 5.002 12.207 ( 0.000 4.674 0.000) 4.674 12.239 ( 0.000 -0.050 0.000) 0.050 12.636 ( 0.000 8.246 0.000) 8.246 12.777 ( 0.000 0.695 0.000) 0.695 12.920 ( 0.000 -7.076 0.000) 7.076 13.195 ( 0.000 5.321 0.000) 5.321 13.274 ( 0.000 8.560 0.000) 8.560 13.828 ( 0.000 -12.258 0.000) 12.258 13.840 ( 0.000 -14.211 0.000) 14.211 14.035 ( 0.000 -8.337 0.000) 8.337 14.206 ( 0.000 -14.158 0.000) 14.158 14.219 ( 0.000 4.096 0.000) 4.096 14.404 ( 0.000 0.079 0.000) 0.079 15.459 ( 0.000 27.510 0.000) 27.510 15.779 ( 0.000 15.626 0.000) 15.626 15.782 ( 0.000 11.065 0.000) 11.065 15.912 ( 0.000 0.984 0.000) 0.984 16.135 ( 0.000 -5.484 0.000) 5.484 16.437 ( 0.000 -5.391 0.000) 5.391 16.757 ( 0.000 -12.774 0.000) 12.774 17.730 ( 0.000 -37.416 0.000) 37.416 17.889 ( 0.000 8.517 0.000) 8.517 18.466 ( 0.000 3.970 0.000) 3.970 18.614 ( 0.000 -10.392 0.000) 10.392 18.816 ( 0.000 -13.254 0.000) 13.254 18.968 ( 0.000 5.779 0.000) 5.779 19.442 ( 0.000 -7.745 0.000) 7.745 20.800 ( 0.000 27.272 0.000) 27.272 21.339 ( 0.000 15.709 0.000) 15.709 21.789 ( 0.000 -0.296 0.000) 0.296 22.056 ( 0.000 -13.800 0.000) 13.800 ======================= Grid point 19 (12/120) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 3.262 34.767 0.000) 34.919 1.692 ( 11.434 31.476 0.000) 33.489 2.799 ( 20.627 42.725 0.000) 47.443 2.989 ( 0.346 -7.934 0.000) 7.941 3.062 ( 2.411 -11.650 0.000) 11.897 3.460 ( 0.574 3.195 0.000) 3.246 3.862 ( -2.926 -1.301 0.000) 3.202 4.000 ( -6.422 -5.225 0.000) 8.279 4.158 ( -2.553 1.776 0.000) 3.110 4.336 ( -1.580 -1.415 0.000) 2.121 4.548 ( -5.100 -5.450 0.000) 7.464 4.848 ( -8.741 -11.888 0.000) 14.755 6.605 ( 9.068 6.924 0.000) 11.410 6.957 ( 10.644 9.715 0.000) 14.411 7.084 ( 5.199 -6.453 0.000) 8.287 7.446 ( -0.724 3.205 0.000) 3.285 7.686 ( 11.630 -5.118 0.000) 12.706 7.886 ( 10.151 -6.668 0.000) 12.145 8.300 ( 1.673 10.573 0.000) 10.705 8.620 ( 0.029 14.884 0.000) 14.884 9.557 ( -3.474 -24.921 0.000) 25.162 9.809 ( -14.832 -19.499 0.000) 24.500 10.349 ( 1.017 4.861 0.000) 4.966 10.654 ( -1.395 -6.436 0.000) 6.586 10.703 ( 4.211 8.276 0.000) 9.286 10.981 ( -5.357 9.086 0.000) 10.548 11.057 ( -1.917 6.707 0.000) 6.975 11.671 ( -9.900 2.513 0.000) 10.214 11.951 ( 5.194 4.054 0.000) 6.588 12.313 ( 5.748 -4.893 0.000) 7.548 12.392 ( 11.804 7.181 0.000) 13.817 12.615 ( -4.159 14.084 0.000) 14.685 12.904 ( -1.969 -5.654 0.000) 5.987 12.960 ( 15.896 3.233 0.000) 16.222 13.310 ( 3.190 8.704 0.000) 9.270 13.368 ( 15.438 2.587 0.000) 15.653 13.769 ( -4.550 -12.401 0.000) 13.209 13.861 ( 1.421 -13.468 0.000) 13.543 13.998 ( -3.744 -9.494 0.000) 10.206 14.163 ( -3.117 -12.239 0.000) 12.630 14.444 ( 19.321 3.470 0.000) 19.630 14.578 ( 15.814 0.471 0.000) 15.821 15.452 ( -6.279 11.531 0.000) 13.129 15.541 ( -2.916 24.786 0.000) 24.957 15.910 ( -16.346 -5.733 0.000) 17.322 15.920 ( -0.796 -0.232 0.000) 0.829 16.028 ( -8.491 -3.908 0.000) 9.347 16.208 ( 7.094 15.622 0.000) 17.157 17.123 ( 20.649 -12.928 0.000) 24.362 17.764 ( 3.174 -37.324 0.000) 37.459 17.843 ( -6.111 7.109 0.000) 9.374 18.225 ( -14.301 3.670 0.000) 14.765 18.577 ( -5.287 -11.939 0.000) 13.057 18.865 ( -9.835 5.796 0.000) 11.416 18.871 ( 1.122 -15.506 0.000) 15.546 19.337 ( -9.952 -7.624 0.000) 12.537 20.892 ( 8.488 25.266 0.000) 26.653 21.369 ( 2.764 15.347 0.000) 15.594 21.802 ( 1.078 -0.068 0.000) 1.080 22.007 ( -3.816 -8.887 0.000) 9.672 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 14.247 19.524 0.000) 24.169 2.002 ( 17.149 21.268 0.000) 27.321 3.000 ( 0.722 -7.458 0.000) 7.492 3.033 ( 4.645 2.483 0.000) 5.267 3.296 ( 13.894 7.914 0.000) 15.989 3.475 ( 0.552 -1.060 0.000) 1.195 3.754 ( -7.485 -3.604 0.000) 8.308 3.822 ( -9.804 -7.898 0.000) 12.590 4.090 ( -3.823 4.245 0.000) 5.712 4.295 ( -2.284 0.614 0.000) 2.365 4.403 ( -8.161 -2.723 0.000) 8.604 4.625 ( -11.555 -4.983 0.000) 12.583 6.868 ( 15.394 5.043 0.000) 16.199 7.098 ( 2.517 22.564 0.000) 22.704 7.229 ( 8.083 -4.542 0.000) 9.272 7.574 ( 13.345 -0.841 0.000) 13.372 7.886 ( 7.663 0.769 0.000) 7.702 8.165 ( 14.273 -6.200 0.000) 15.561 8.601 ( 25.287 -2.325 0.000) 25.393 8.619 ( -0.247 10.695 0.000) 10.698 9.429 ( -20.477 -12.483 0.000) 23.982 9.526 ( 3.124 -18.157 0.000) 18.423 10.354 ( -1.246 0.572 0.000) 1.371 10.642 ( 1.469 -5.244 0.000) 5.446 10.698 ( -7.468 12.970 0.000) 14.966 10.860 ( -4.848 8.197 0.000) 9.524 10.999 ( -2.715 2.918 0.000) 3.986 11.545 ( -1.696 -2.489 0.000) 3.012 12.059 ( 2.023 7.423 0.000) 7.693 12.491 ( 9.430 -10.486 0.000) 14.102 12.514 ( -4.922 10.577 0.000) 11.666 12.540 ( 2.785 14.798 0.000) 15.058 12.871 ( 1.295 -6.108 0.000) 6.243 13.289 ( 12.414 3.396 0.000) 12.870 13.401 ( 5.448 8.582 0.000) 10.165 13.623 ( -1.992 -3.702 0.000) 4.204 13.795 ( 18.013 1.967 0.000) 18.120 13.830 ( -10.536 -8.826 0.000) 13.745 13.884 ( -0.467 -11.753 0.000) 11.762 14.163 ( 3.461 -10.528 0.000) 11.082 14.957 ( 27.188 1.184 0.000) 27.214 14.977 ( 19.838 2.650 0.000) 20.014 15.183 ( -18.826 0.911 0.000) 18.848 15.502 ( -12.346 -5.454 0.000) 13.497 15.622 ( 5.881 30.962 0.000) 31.516 15.693 ( -16.823 3.427 0.000) 17.168 16.017 ( 6.773 -6.611 0.000) 9.464 16.525 ( 18.073 15.092 0.000) 23.546 17.497 ( 14.558 -12.997 0.000) 19.515 17.556 ( -19.563 5.709 0.000) 20.379 17.861 ( 6.135 -36.758 0.000) 37.266 18.045 ( -3.838 9.037 0.000) 9.818 18.433 ( -8.146 -24.062 0.000) 25.403 18.562 ( -18.970 5.834 0.000) 19.847 18.794 ( -7.897 -15.235 0.000) 17.160 19.033 ( -19.005 -7.519 0.000) 20.438 21.128 ( 13.197 19.726 0.000) 23.734 21.448 ( 4.569 14.318 0.000) 15.029 21.826 ( 0.937 0.677 0.000) 1.156 21.925 ( -3.786 -2.373 0.000) 4.468 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 17.408 5.640 0.000) 18.299 2.365 ( 16.484 10.901 0.000) 19.762 3.024 ( 1.773 -7.391 0.000) 7.601 3.149 ( 6.424 -4.170 0.000) 7.659 3.437 ( 0.319 2.706 0.000) 2.724 3.441 ( -5.253 -4.937 0.000) 7.209 3.556 ( -11.032 -8.220 0.000) 13.757 3.645 ( -5.727 -7.782 0.000) 9.662 4.010 ( -3.162 4.804 0.000) 5.751 4.227 ( -4.810 1.632 0.000) 5.079 4.245 ( -5.958 -0.403 0.000) 5.972 4.403 ( -9.109 -0.103 0.000) 9.109 7.179 ( 6.375 19.882 0.000) 20.879 7.213 ( 16.344 2.408 0.000) 16.521 7.399 ( 7.931 -0.946 0.000) 7.987 7.830 ( 7.660 -1.994 0.000) 7.916 8.045 ( 7.960 2.491 0.000) 8.341 8.484 ( 15.107 -2.629 0.000) 15.334 8.602 ( -1.962 3.695 0.000) 4.184 9.000 ( -18.992 -6.444 0.000) 20.056 9.082 ( 17.958 -5.580 0.000) 18.805 9.841 ( 27.962 -9.568 0.000) 29.554 10.321 ( 0.080 4.177 0.000) 4.178 10.431 ( -16.685 16.257 0.000) 23.295 10.694 ( -10.543 5.061 0.000) 11.695 10.737 ( 7.375 -6.551 0.000) 9.864 11.021 ( 3.536 4.209 0.000) 5.498 11.526 ( -3.050 -3.705 0.000) 4.799 11.982 ( -7.454 15.731 0.000) 17.408 12.211 ( -20.034 10.084 0.000) 22.429 12.621 ( 6.980 -6.389 0.000) 9.462 12.838 ( 18.303 -2.701 0.000) 18.501 12.881 ( -3.430 -10.422 0.000) 10.972 13.427 ( 1.211 -10.000 0.000) 10.073 13.468 ( -1.597 3.925 0.000) 4.238 13.588 ( 2.025 13.495 0.000) 13.647 13.689 ( -0.974 0.212 0.000) 0.996 13.895 ( 4.817 -10.263 0.000) 11.337 14.227 ( -1.442 -11.187 0.000) 11.280 14.247 ( 22.116 4.904 0.000) 22.654 14.782 ( -13.337 6.639 0.000) 14.898 15.165 ( -1.439 4.381 0.000) 4.611 15.190 ( -18.618 -1.070 0.000) 18.649 15.317 ( -8.318 -2.953 0.000) 8.827 15.742 ( 33.766 8.011 0.000) 34.703 15.826 ( 13.270 28.346 0.000) 31.298 16.348 ( 23.366 -7.634 0.000) 24.582 16.927 ( 20.143 6.878 0.000) 21.285 17.141 ( -17.443 9.276 0.000) 19.757 17.697 ( 1.892 -10.685 0.000) 10.851 17.974 ( -4.642 4.254 0.000) 6.297 18.005 ( 4.733 -28.954 0.000) 29.339 18.114 ( -18.577 -0.433 0.000) 18.582 18.234 ( -10.687 -24.045 0.000) 26.313 18.555 ( -26.148 -8.044 0.000) 27.358 18.592 ( -10.112 -18.262 0.000) 20.875 21.405 ( 12.521 13.434 0.000) 18.365 21.552 ( 5.252 12.571 0.000) 13.624 21.828 ( -0.984 2.127 0.000) 2.343 21.848 ( -3.779 2.489 0.000) 4.525 ======================= Grid point 22 (15/120) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 13.262 -1.376 0.000) 13.333 2.620 ( 4.996 0.729 0.000) 5.049 3.086 ( 4.864 -2.327 0.000) 5.392 3.223 ( -3.697 3.686 0.000) 5.221 3.311 ( -3.827 -9.785 0.000) 10.507 3.341 ( -6.739 -20.583 0.000) 21.659 3.427 ( 2.776 2.898 0.000) 4.013 3.542 ( -5.743 -4.458 0.000) 7.270 3.997 ( 2.503 3.069 0.000) 3.961 4.099 ( -6.442 1.529 0.000) 6.621 4.184 ( 0.336 0.337 0.000) 0.475 4.250 ( -5.527 0.699 0.000) 5.571 7.338 ( 7.354 13.066 0.000) 14.993 7.418 ( 1.299 5.014 0.000) 5.179 7.620 ( 13.388 -0.345 0.000) 13.392 7.841 ( -6.111 -2.567 0.000) 6.629 8.228 ( 9.765 0.609 0.000) 9.784 8.463 ( -11.710 -1.179 0.000) 11.769 8.692 ( 4.302 -6.844 0.000) 8.084 8.748 ( -4.128 -4.461 0.000) 6.078 9.503 ( 24.020 10.602 0.000) 26.256 10.014 ( -23.020 16.566 0.000) 28.361 10.291 ( 8.000 0.543 0.000) 8.019 10.471 ( -10.068 5.283 0.000) 11.370 10.641 ( 33.299 -0.007 0.000) 33.299 10.927 ( 10.028 -7.163 0.000) 12.323 11.057 ( -2.547 -2.064 0.000) 3.279 11.290 ( -21.913 -2.467 0.000) 22.052 11.828 ( -5.684 17.850 0.000) 18.733 11.845 ( -10.172 14.193 0.000) 17.462 12.725 ( 2.595 -13.566 0.000) 13.812 12.777 ( -3.918 -15.642 0.000) 16.125 13.222 ( 16.508 -4.964 0.000) 17.238 13.419 ( -3.048 3.148 0.000) 4.382 13.449 ( 2.690 -5.997 0.000) 6.573 13.582 ( -8.726 -5.763 0.000) 10.457 13.702 ( 9.099 13.670 0.000) 16.421 13.988 ( -16.771 0.102 0.000) 16.771 14.193 ( 20.371 -2.795 0.000) 20.562 14.589 ( -3.565 -9.990 0.000) 10.607 14.770 ( 7.661 3.865 0.000) 8.581 14.796 ( -3.309 14.708 0.000) 15.075 15.035 ( -8.500 3.695 0.000) 9.268 15.101 ( -12.095 4.558 0.000) 12.926 16.157 ( 17.697 21.571 0.000) 27.902 16.516 ( -6.422 13.804 0.000) 15.225 16.531 ( 31.305 4.160 0.000) 31.580 17.211 ( 28.327 -4.494 0.000) 28.681 17.269 ( -19.699 0.610 0.000) 19.708 17.393 ( 6.916 0.535 0.000) 6.936 17.764 ( -16.080 -8.610 0.000) 18.240 17.859 ( -24.108 -8.109 0.000) 25.436 17.991 ( -3.107 -7.121 0.000) 7.769 18.056 ( -5.282 -6.892 0.000) 8.683 18.235 ( 6.108 -30.249 0.000) 30.860 18.399 ( -8.486 -26.542 0.000) 27.865 21.630 ( 8.705 8.312 0.000) 12.036 21.661 ( 4.904 9.956 0.000) 11.099 21.764 ( -4.228 6.515 0.000) 7.767 21.774 ( -4.368 4.574 0.000) 6.325 ======================= Grid point 27 (16/120) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 0.000 29.487 0.000) 29.487 2.285 ( 0.000 28.916 0.000) 28.916 2.695 ( 0.000 -20.687 0.000) 20.687 2.754 ( 0.000 -19.587 0.000) 19.587 3.419 ( 0.000 35.732 0.000) 35.732 3.636 ( 0.000 12.132 0.000) 12.132 3.829 ( 0.000 -8.354 0.000) 8.354 3.883 ( 0.000 -12.542 0.000) 12.542 4.297 ( 0.000 8.035 0.000) 8.035 4.363 ( 0.000 4.755 0.000) 4.755 4.457 ( 0.000 -8.165 0.000) 8.165 4.602 ( 0.000 -18.416 0.000) 18.416 6.677 ( 0.000 9.598 0.000) 9.598 6.865 ( 0.000 -9.433 0.000) 9.433 6.951 ( 0.000 9.459 0.000) 9.459 7.174 ( 0.000 -13.065 0.000) 13.065 7.696 ( 0.000 4.376 0.000) 4.376 7.747 ( 0.000 -1.265 0.000) 1.265 8.607 ( 0.000 17.892 0.000) 17.892 8.999 ( 0.000 22.724 0.000) 22.724 9.050 ( 0.000 -27.312 0.000) 27.312 9.479 ( 0.000 -26.177 0.000) 26.177 10.491 ( 0.000 6.229 0.000) 6.229 10.581 ( 0.000 -3.664 0.000) 3.664 10.810 ( 0.000 7.372 0.000) 7.372 10.930 ( 0.000 -5.363 0.000) 5.363 11.545 ( 0.000 21.133 0.000) 21.133 11.824 ( 0.000 -7.189 0.000) 7.189 12.022 ( 0.000 7.228 0.000) 7.228 12.161 ( 0.000 -6.468 0.000) 6.468 12.380 ( 0.000 13.600 0.000) 13.600 12.695 ( 0.000 -16.178 0.000) 16.178 12.759 ( 0.000 3.545 0.000) 3.545 12.786 ( 0.000 0.022 0.000) 0.022 13.352 ( 0.000 10.646 0.000) 10.646 13.449 ( 0.000 9.078 0.000) 9.078 13.584 ( 0.000 -12.721 0.000) 12.721 13.615 ( 0.000 -8.781 0.000) 8.781 13.908 ( 0.000 -3.006 0.000) 3.006 13.970 ( 0.000 -8.997 0.000) 8.997 14.303 ( 0.000 4.334 0.000) 4.334 14.376 ( 0.000 -2.849 0.000) 2.849 15.930 ( 0.000 14.458 0.000) 14.458 15.950 ( 0.000 3.013 0.000) 3.013 15.965 ( 0.000 6.797 0.000) 6.797 16.029 ( 0.000 -5.039 0.000) 5.039 16.180 ( 0.000 24.672 0.000) 24.672 16.391 ( 0.000 7.228 0.000) 7.228 16.482 ( 0.000 -14.688 0.000) 14.688 16.972 ( 0.000 -39.269 0.000) 39.269 18.087 ( 0.000 11.885 0.000) 11.885 18.346 ( 0.000 -14.681 0.000) 14.681 18.554 ( 0.000 4.983 0.000) 4.983 18.657 ( 0.000 -5.782 0.000) 5.782 19.109 ( 0.000 8.324 0.000) 8.324 19.278 ( 0.000 -8.912 0.000) 8.912 21.303 ( 0.000 24.314 0.000) 24.314 21.598 ( 0.000 10.620 0.000) 10.620 21.731 ( 0.000 -19.675 0.000) 19.675 21.745 ( 0.000 -4.659 0.000) 4.659 ======================= Grid point 28 (17/120) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 5.406 27.042 0.000) 27.578 2.267 ( -0.773 29.338 0.000) 29.348 2.718 ( 2.095 -19.314 0.000) 19.428 2.749 ( -0.187 -20.317 0.000) 20.318 3.489 ( 4.962 25.996 0.000) 26.465 3.599 ( -3.320 10.057 0.000) 10.590 3.793 ( -3.529 -7.353 0.000) 8.156 3.814 ( -6.181 -11.461 0.000) 13.021 4.273 ( -2.307 7.663 0.000) 8.003 4.368 ( 0.416 6.130 0.000) 6.145 4.422 ( -3.349 -7.393 0.000) 8.116 4.583 ( -2.036 -14.393 0.000) 14.537 6.761 ( 7.755 8.849 0.000) 11.766 6.935 ( 6.413 -8.729 0.000) 10.832 7.132 ( 15.921 10.063 0.000) 18.835 7.352 ( 14.548 -11.435 0.000) 18.504 7.713 ( 2.823 5.967 0.000) 6.602 7.805 ( 5.153 -3.376 0.000) 6.160 8.575 ( -0.411 18.620 0.000) 18.625 8.966 ( -3.231 20.458 0.000) 20.712 9.026 ( -0.996 -27.190 0.000) 27.208 9.390 ( -8.234 -22.653 0.000) 24.103 10.463 ( -2.063 5.920 0.000) 6.269 10.562 ( -1.613 -4.335 0.000) 4.625 10.836 ( 1.982 5.531 0.000) 5.875 10.929 ( 0.018 -4.378 0.000) 4.378 11.433 ( -9.390 18.671 0.000) 20.899 11.662 ( -11.231 -4.836 0.000) 12.228 12.051 ( 4.035 6.138 0.000) 7.345 12.183 ( 3.361 -7.262 0.000) 8.002 12.545 ( 11.356 9.095 0.000) 14.549 12.748 ( 3.315 -10.575 0.000) 11.083 12.872 ( 3.778 10.562 0.000) 11.218 12.987 ( 14.560 -1.388 0.000) 14.626 13.420 ( 10.680 3.698 0.000) 11.302 13.484 ( 2.819 8.891 0.000) 9.327 13.548 ( -0.767 -9.665 0.000) 9.696 13.649 ( 2.614 -8.489 0.000) 8.883 13.854 ( -4.768 -2.735 0.000) 5.497 13.939 ( -2.079 -9.762 0.000) 9.981 14.515 ( 18.328 3.435 0.000) 18.647 14.566 ( 16.919 -1.720 0.000) 17.006 15.606 ( -17.919 8.091 0.000) 19.661 15.765 ( -21.126 -8.072 0.000) 22.615 15.920 ( -2.744 0.718 0.000) 2.837 15.957 ( -6.526 -3.028 0.000) 7.194 16.188 ( 4.029 36.655 0.000) 36.876 16.541 ( 14.044 17.917 0.000) 22.765 16.816 ( 18.301 -20.224 0.000) 27.275 17.020 ( 4.920 -36.105 0.000) 36.439 18.008 ( -8.734 9.634 0.000) 13.004 18.192 ( -10.479 -7.839 0.000) 13.086 18.489 ( -7.989 3.263 0.000) 8.630 18.626 ( -2.523 -9.893 0.000) 10.210 19.006 ( -9.788 8.324 0.000) 12.849 19.175 ( -9.829 -8.858 0.000) 13.231 21.359 ( 5.081 22.509 0.000) 23.075 21.622 ( 2.138 10.298 0.000) 10.518 21.747 ( 1.463 -17.259 0.000) 17.321 21.763 ( 1.568 -4.374 0.000) 4.646 ======================= Grid point 29 (18/120) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 3.612 25.866 0.000) 26.117 2.417 ( 8.596 20.696 0.000) 22.410 2.763 ( 1.920 -21.572 0.000) 21.657 2.775 ( 3.007 -15.598 0.000) 15.885 3.514 ( -4.397 4.971 0.000) 6.636 3.551 ( 0.038 10.246 0.000) 10.246 3.651 ( -8.593 -8.641 0.000) 12.187 3.680 ( -7.263 -4.384 0.000) 8.483 4.204 ( -4.164 6.539 0.000) 7.752 4.323 ( -5.837 -5.434 0.000) 7.974 4.366 ( -1.323 6.435 0.000) 6.569 4.506 ( -5.356 -7.144 0.000) 8.929 6.984 ( 13.056 6.761 0.000) 14.702 7.118 ( 10.596 -6.671 0.000) 12.521 7.464 ( 9.111 14.040 0.000) 16.737 7.598 ( 9.931 0.276 0.000) 9.935 7.897 ( 12.115 1.383 0.000) 12.194 7.998 ( 15.703 -9.017 0.000) 18.107 8.717 ( 15.537 14.094 0.000) 20.977 8.863 ( -6.515 14.249 0.000) 15.668 9.099 ( 10.603 -23.351 0.000) 25.645 9.154 ( -13.750 -15.237 0.000) 20.524 10.426 ( -1.107 5.595 0.000) 5.704 10.539 ( 0.252 -5.668 0.000) 5.673 10.847 ( -2.419 4.852 0.000) 5.422 10.925 ( -1.580 -2.678 0.000) 3.109 11.222 ( -8.790 16.919 0.000) 19.066 11.467 ( -6.161 -7.381 0.000) 9.614 12.181 ( 6.786 6.085 0.000) 9.115 12.314 ( 8.017 -7.854 0.000) 11.223 12.685 ( -3.698 6.151 0.000) 7.177 12.770 ( 0.167 -4.079 0.000) 4.083 12.854 ( -1.642 16.681 0.000) 16.761 13.159 ( 0.991 -13.909 0.000) 13.944 13.537 ( 1.524 5.132 0.000) 5.354 13.675 ( 12.388 7.214 0.000) 14.336 13.678 ( -0.756 -9.738 0.000) 9.768 13.759 ( -1.521 4.817 0.000) 5.052 13.793 ( 20.720 -3.559 0.000) 21.024 13.943 ( 2.833 -11.610 0.000) 11.951 14.981 ( 22.602 1.268 0.000) 22.638 14.998 ( 21.855 -0.247 0.000) 21.856 15.241 ( -17.078 4.896 0.000) 17.766 15.363 ( -14.565 -7.343 0.000) 16.311 15.778 ( -7.539 5.246 0.000) 9.184 15.891 ( 1.908 -6.319 0.000) 6.600 16.297 ( 6.430 37.444 0.000) 37.992 16.819 ( 11.383 9.221 0.000) 14.649 17.123 ( 11.714 -30.984 0.000) 33.124 17.220 ( 13.502 -16.962 0.000) 21.680 17.716 ( -17.037 10.964 0.000) 20.260 17.983 ( -10.695 -16.151 0.000) 19.371 18.288 ( -9.533 9.928 0.000) 13.764 18.518 ( -7.929 -13.214 0.000) 15.410 18.704 ( -18.913 8.334 0.000) 20.668 18.872 ( -18.986 -8.773 0.000) 20.915 21.496 ( 7.537 17.560 0.000) 19.109 21.681 ( 3.291 9.298 0.000) 9.863 21.784 ( 1.889 -11.661 0.000) 11.813 21.803 ( 2.041 -3.452 0.000) 4.010 ======================= Grid point 30 (19/120) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 8.338 18.640 0.000) 20.420 2.596 ( 7.699 12.574 0.000) 14.744 2.833 ( 4.411 -22.158 0.000) 22.593 2.836 ( 2.823 -11.648 0.000) 11.985 3.411 ( -5.975 1.942 0.000) 6.283 3.490 ( -6.220 1.715 0.000) 6.452 3.500 ( -4.849 -6.655 0.000) 8.234 3.508 ( -7.296 -0.153 0.000) 7.298 4.114 ( -3.806 5.350 0.000) 6.566 4.203 ( -4.740 -3.646 0.000) 5.980 4.292 ( -5.653 4.488 0.000) 7.218 4.371 ( -7.126 -3.155 0.000) 7.793 7.277 ( 14.096 3.972 0.000) 14.645 7.354 ( 11.457 -3.517 0.000) 11.985 7.540 ( 2.274 15.937 0.000) 16.098 7.758 ( 3.438 -6.621 0.000) 7.460 8.134 ( 9.893 7.266 0.000) 12.274 8.328 ( 12.243 -11.553 0.000) 16.833 8.703 ( -8.673 6.695 0.000) 10.956 8.852 ( -14.032 -8.227 0.000) 16.266 9.190 ( 28.227 14.920 0.000) 31.927 9.543 ( 30.427 -19.021 0.000) 35.883 10.445 ( 4.061 7.712 0.000) 8.716 10.598 ( 5.758 -7.763 0.000) 9.665 10.702 ( -11.506 9.420 0.000) 14.870 10.788 ( -10.730 1.427 0.000) 10.824 11.132 ( -1.596 10.758 0.000) 10.876 11.386 ( -4.153 -11.547 0.000) 12.271 12.246 ( -1.685 11.469 0.000) 11.592 12.425 ( -16.842 11.980 0.000) 20.668 12.446 ( 3.396 -9.879 0.000) 10.446 12.664 ( -10.656 -12.146 0.000) 16.158 12.933 ( 9.963 10.098 0.000) 14.186 13.173 ( 3.013 -13.748 0.000) 14.074 13.535 ( -0.790 4.713 0.000) 4.779 13.658 ( -3.747 -6.176 0.000) 7.224 13.834 ( 9.635 5.782 0.000) 11.237 13.906 ( 8.050 16.693 0.000) 18.533 14.010 ( 2.307 -10.812 0.000) 11.056 14.184 ( 14.853 -10.520 0.000) 18.201 14.950 ( -8.714 10.424 0.000) 13.587 15.164 ( -5.824 -10.800 0.000) 12.271 15.189 ( -4.226 2.425 0.000) 4.872 15.226 ( -3.766 -0.254 0.000) 3.775 15.951 ( 28.265 12.598 0.000) 30.946 16.180 ( 26.351 -10.287 0.000) 28.287 16.458 ( 8.931 35.158 0.000) 36.275 17.020 ( 8.502 -8.502 0.000) 12.024 17.363 ( -15.848 14.617 0.000) 21.560 17.385 ( 12.980 -17.203 0.000) 21.551 17.474 ( 9.530 -12.733 0.000) 15.904 17.731 ( -12.828 -23.138 0.000) 26.456 18.114 ( -7.404 8.044 0.000) 10.933 18.233 ( -25.066 7.718 0.000) 26.227 18.308 ( -11.660 -11.997 0.000) 16.730 18.392 ( -26.405 -8.527 0.000) 27.748 21.652 ( 6.918 11.313 0.000) 13.261 21.750 ( 3.139 7.450 0.000) 8.085 21.818 ( 1.206 -5.409 0.000) 5.541 21.837 ( 0.972 -1.691 0.000) 1.950 ======================= Grid point 31 (20/120) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 7.920 11.055 0.000) 13.599 2.692 ( 0.375 7.279 0.000) 7.289 2.898 ( 2.899 -13.077 0.000) 13.394 2.914 ( 2.128 -19.938 0.000) 20.051 3.300 ( -2.980 5.603 0.000) 6.347 3.332 ( -5.825 5.152 0.000) 7.777 3.419 ( -2.021 -3.251 0.000) 3.828 3.430 ( -2.392 -6.880 0.000) 7.284 4.079 ( 1.122 4.641 0.000) 4.774 4.156 ( 0.677 -3.008 0.000) 3.083 4.160 ( -5.986 4.054 0.000) 7.229 4.230 ( -5.813 -2.654 0.000) 6.390 7.513 ( 7.181 4.654 0.000) 8.558 7.578 ( 0.385 11.021 0.000) 11.027 7.589 ( 10.699 -2.908 0.000) 11.087 7.751 ( -4.133 -6.789 0.000) 7.948 8.307 ( 7.706 7.498 0.000) 10.752 8.497 ( -10.504 4.619 0.000) 11.474 8.498 ( 5.527 -11.344 0.000) 12.619 8.622 ( -7.546 -7.494 0.000) 10.635 9.825 ( 30.079 20.074 0.000) 36.162 10.177 ( 24.761 -13.620 0.000) 28.260 10.365 ( -20.889 16.628 0.000) 26.699 10.539 ( -13.058 -0.583 0.000) 13.071 10.664 ( 18.863 4.129 0.000) 19.310 10.784 ( 11.922 -7.367 0.000) 14.014 11.025 ( -10.158 1.096 0.000) 10.217 11.153 ( -19.873 -10.038 0.000) 22.264 12.152 ( -6.079 16.666 0.000) 17.740 12.160 ( -4.458 16.212 0.000) 16.814 12.455 ( -1.335 -14.430 0.000) 14.492 12.471 ( -4.899 -16.131 0.000) 16.858 13.204 ( 14.102 3.030 0.000) 14.424 13.313 ( 9.416 -7.256 0.000) 11.887 13.458 ( -8.454 2.048 0.000) 8.699 13.512 ( -8.905 -2.771 0.000) 9.326 14.004 ( 1.844 16.893 0.000) 16.994 14.011 ( 0.968 3.883 0.000) 4.001 14.119 ( 13.228 -5.641 0.000) 14.381 14.328 ( -2.854 -15.867 0.000) 16.121 14.908 ( 3.736 9.388 0.000) 10.104 15.025 ( -6.073 7.792 0.000) 9.879 15.074 ( -3.132 -6.322 0.000) 7.055 15.089 ( -6.541 0.668 0.000) 6.575 16.662 ( 33.875 8.797 0.000) 34.999 16.665 ( 10.451 29.511 0.000) 31.307 16.757 ( 17.702 5.175 0.000) 18.443 17.150 ( 4.531 4.965 0.000) 6.722 17.173 ( 2.292 -16.267 0.000) 16.428 17.426 ( -16.771 3.365 0.000) 17.105 17.478 ( -10.536 -21.431 0.000) 23.881 17.580 ( -7.642 -16.241 0.000) 17.950 17.856 ( -5.150 -3.076 0.000) 5.999 17.891 ( -6.243 -5.860 0.000) 8.563 17.964 ( -7.196 -0.325 0.000) 7.204 18.049 ( -12.529 -9.243 0.000) 15.570 21.772 ( 4.380 5.663 0.000) 7.159 21.804 ( 1.826 4.535 0.000) 4.889 21.829 ( -0.225 0.083 0.000) 0.240 21.835 ( -1.307 1.168 0.000) 1.753 ======================= Grid point 63 (21/120) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 0.000 0.000 35.637) 35.637 0.823 ( 0.000 0.000 41.617) 41.617 1.309 ( 0.000 0.000 64.989) 64.989 3.028 ( 0.000 0.000 3.067) 3.067 3.277 ( 0.000 0.000 1.268) 1.268 3.381 ( 0.000 0.000 -9.938) 9.938 3.866 ( 0.000 0.000 -0.860) 0.860 3.974 ( 0.000 0.000 -1.490) 1.490 4.314 ( 0.000 0.000 -3.264) 3.264 4.373 ( 0.000 0.000 -5.111) 5.111 4.734 ( 0.000 0.000 -1.110) 1.110 5.099 ( 0.000 0.000 -13.930) 13.930 6.303 ( 0.000 0.000 3.859) 3.859 6.829 ( 0.000 0.000 6.105) 6.105 7.249 ( 0.000 0.000 7.711) 7.711 7.608 ( 0.000 0.000 19.820) 19.820 7.733 ( 0.000 0.000 -5.721) 5.721 7.836 ( 0.000 0.000 6.216) 6.216 8.174 ( 0.000 0.000 -2.237) 2.237 8.331 ( 0.000 0.000 2.512) 2.512 10.013 ( 0.000 0.000 -9.037) 9.037 10.061 ( 0.000 0.000 -3.384) 3.384 10.233 ( 0.000 0.000 -10.739) 10.739 10.583 ( 0.000 0.000 -5.099) 5.099 10.586 ( 0.000 0.000 0.941) 0.941 11.220 ( 0.000 0.000 4.769) 4.769 11.365 ( 0.000 0.000 -5.599) 5.599 11.399 ( 0.000 0.000 -8.215) 8.215 12.020 ( 0.000 0.000 13.696) 13.696 12.054 ( 0.000 0.000 18.475) 18.475 12.100 ( 0.000 0.000 -7.914) 7.914 12.544 ( 0.000 0.000 2.534) 2.534 12.732 ( 0.000 0.000 1.102) 1.102 13.154 ( 0.000 0.000 7.646) 7.646 13.161 ( 0.000 0.000 -0.665) 0.665 13.201 ( 0.000 0.000 8.583) 8.583 13.565 ( 0.000 0.000 -10.948) 10.948 14.125 ( 0.000 0.000 -1.543) 1.543 14.161 ( 0.000 0.000 -1.032) 1.032 14.233 ( 0.000 0.000 -7.104) 7.104 14.399 ( 0.000 0.000 -2.100) 2.100 14.672 ( 0.000 0.000 7.443) 7.443 14.894 ( 0.000 0.000 18.043) 18.043 15.373 ( 0.000 0.000 -7.966) 7.966 15.451 ( 0.000 0.000 -0.240) 0.240 15.857 ( 0.000 0.000 -31.536) 31.536 15.894 ( 0.000 0.000 -2.372) 2.372 16.624 ( 0.000 0.000 9.259) 9.259 17.364 ( 0.000 0.000 25.122) 25.122 18.289 ( 0.000 0.000 -7.043) 7.043 18.325 ( 0.000 0.000 -25.988) 25.988 18.708 ( 0.000 0.000 -4.767) 4.767 18.713 ( 0.000 0.000 0.446) 0.446 18.797 ( 0.000 0.000 -4.266) 4.266 19.395 ( 0.000 0.000 -2.006) 2.006 19.483 ( 0.000 0.000 -8.394) 8.394 20.180 ( 0.000 0.000 27.001) 27.001 20.889 ( 0.000 0.000 2.879) 2.879 21.776 ( 0.000 0.000 1.353) 1.353 22.067 ( 0.000 0.000 -3.151) 3.151 ======================= Grid point 64 (22/120) ======================= q-point: ( 0.11 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 22.267 0.000 20.977) 30.592 1.231 ( 31.627 0.000 25.624) 40.704 1.817 ( 37.069 0.000 46.803) 59.704 3.056 ( 2.551 0.000 2.929) 3.884 3.279 ( 1.973 0.000 -1.160) 2.289 3.405 ( 2.361 0.000 -9.794) 10.074 3.834 ( -4.828 0.000 -4.030) 6.289 3.967 ( 0.279 0.000 1.390) 1.418 4.263 ( -4.603 0.000 -3.252) 5.636 4.334 ( -2.755 0.000 -5.881) 6.494 4.654 ( -7.522 0.000 -0.073) 7.522 4.962 ( -12.239 0.000 -11.729) 16.952 6.353 ( 4.713 0.000 4.079) 6.233 6.559 ( -3.978 0.000 7.850) 8.800 7.316 ( 5.511 0.000 9.787) 11.232 7.635 ( 5.895 0.000 15.055) 16.168 7.807 ( 3.743 0.000 -2.261) 4.373 8.154 ( 26.120 0.000 6.818) 26.995 8.346 ( 4.280 0.000 3.226) 5.359 8.398 ( 4.940 0.000 5.458) 7.361 9.820 ( -9.350 0.000 -10.102) 13.764 10.036 ( -17.230 0.000 -8.642) 19.276 10.297 ( 11.205 0.000 -3.481) 11.734 10.498 ( -7.369 0.000 -4.793) 8.791 10.604 ( 1.926 0.000 -0.583) 2.012 11.148 ( -6.126 0.000 2.924) 6.787 11.348 ( -9.122 0.000 4.410) 10.132 11.440 ( 5.292 0.000 -6.028) 8.022 11.963 ( -4.766 0.000 13.128) 13.967 11.980 ( 2.506 0.000 4.895) 5.499 12.189 ( 5.993 0.000 -4.366) 7.415 12.589 ( 5.622 0.000 -3.165) 6.452 12.817 ( 6.738 0.000 -1.788) 6.971 13.070 ( -4.805 0.000 5.609) 7.385 13.102 ( -0.796 0.000 -0.598) 0.995 13.320 ( 11.134 0.000 10.563) 15.348 13.867 ( 15.956 0.000 -14.684) 21.685 13.969 ( -12.166 0.000 -14.964) 19.286 14.239 ( -0.910 0.000 1.332) 1.613 14.375 ( 10.725 0.000 -10.981) 15.350 14.452 ( 1.606 0.000 -7.637) 7.804 14.774 ( 12.858 0.000 16.090) 20.597 14.853 ( 0.873 0.000 18.855) 18.875 15.461 ( 0.529 0.000 1.492) 1.583 15.516 ( 3.637 0.000 -12.182) 12.713 15.722 ( -11.347 0.000 -25.506) 27.916 15.870 ( 2.389 0.000 -3.264) 4.045 16.421 ( -9.734 0.000 18.267) 20.699 17.628 ( 18.167 0.000 20.564) 27.439 17.841 ( -26.177 0.000 -20.893) 33.493 18.064 ( -13.405 0.000 19.335) 23.528 18.516 ( 3.390 0.000 -4.878) 5.940 18.821 ( 0.887 0.000 -3.302) 3.419 19.269 ( 0.398 0.000 -13.062) 13.069 19.382 ( -1.308 0.000 -1.644) 2.101 19.414 ( -2.766 0.000 -8.799) 9.223 20.319 ( 12.785 0.000 18.947) 22.858 20.907 ( 2.014 0.000 0.903) 2.207 21.776 ( -0.087 0.000 0.597) 0.603 21.851 ( -11.313 0.000 0.016) 11.313 ======================= Grid point 65 (23/120) ======================= q-point: ( 0.22 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 27.197 0.000 4.287) 27.533 1.932 ( 32.954 0.000 12.592) 35.278 2.504 ( 24.354 0.000 30.563) 39.079 3.124 ( 3.587 0.000 2.591) 4.425 3.364 ( 3.967 0.000 -6.012) 7.203 3.493 ( 5.906 0.000 -6.938) 9.111 3.734 ( -1.679 0.000 -6.007) 6.237 3.939 ( -3.607 0.000 3.402) 4.958 4.138 ( -6.832 0.000 -3.222) 7.553 4.261 ( -4.663 0.000 -7.384) 8.734 4.454 ( -9.995 0.000 3.650) 10.640 4.641 ( -17.145 0.000 -7.919) 18.885 6.498 ( 9.186 0.000 4.672) 10.305 6.706 ( 15.108 0.000 -2.534) 15.319 7.437 ( 5.388 0.000 12.603) 13.706 7.855 ( 13.506 0.000 11.494) 17.735 7.901 ( 5.180 0.000 3.115) 6.044 8.411 ( 1.978 0.000 5.520) 5.864 8.487 ( 6.656 0.000 11.460) 13.252 8.835 ( 37.532 0.000 3.234) 37.671 9.588 ( -24.154 0.000 -5.429) 24.757 9.629 ( -8.862 0.000 -11.159) 14.250 10.266 ( -14.742 0.000 -10.963) 18.372 10.481 ( 4.930 0.000 1.456) 5.140 10.674 ( 4.923 0.000 -1.686) 5.204 10.993 ( -6.067 0.000 8.317) 10.295 11.074 ( -15.141 0.000 11.895) 19.255 11.503 ( -0.461 0.000 -7.011) 7.027 11.845 ( -6.630 0.000 11.268) 13.074 12.133 ( 6.301 0.000 -6.340) 8.939 12.329 ( 9.040 0.000 -0.730) 9.070 12.793 ( 12.826 0.000 -7.216) 14.716 12.951 ( 5.287 0.000 -6.733) 8.561 13.027 ( 2.205 0.000 -2.018) 2.989 13.115 ( 1.742 0.000 -3.623) 4.020 13.625 ( 15.187 0.000 13.180) 20.109 13.672 ( -12.554 0.000 -16.480) 20.717 14.124 ( -10.271 0.000 2.959) 10.689 14.168 ( 13.364 0.000 -3.695) 13.865 14.433 ( -3.138 0.000 -12.635) 13.019 14.555 ( 9.973 0.000 -10.536) 14.507 15.035 ( 10.759 0.000 16.781) 19.934 15.180 ( 22.456 0.000 19.982) 30.059 15.206 ( -24.088 0.000 -16.952) 29.455 15.466 ( -13.600 0.000 -14.570) 19.931 15.468 ( 2.023 0.000 5.745) 6.090 16.129 ( 15.926 0.000 -5.032) 16.702 16.455 ( 15.062 0.000 18.110) 23.555 17.260 ( -28.621 0.000 -20.424) 35.161 17.947 ( 6.377 0.000 15.607) 16.860 17.999 ( 8.636 0.000 17.624) 19.626 18.434 ( -12.115 0.000 3.856) 12.714 18.843 ( 2.656 0.000 0.955) 2.823 19.005 ( -19.060 0.000 -9.137) 21.137 19.268 ( -13.889 0.000 1.880) 14.016 19.340 ( -2.759 0.000 -0.750) 2.859 20.665 ( 18.814 0.000 6.203) 19.810 20.976 ( 4.484 0.000 -3.445) 5.655 21.673 ( -6.745 0.000 -7.569) 10.139 21.766 ( -1.138 0.000 -1.242) 1.684 ======================= Grid point 66 (24/120) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 25.466 0.000 -4.302) 25.827 2.547 ( 24.979 0.000 6.084) 25.709 2.836 ( 9.733 0.000 15.899) 18.641 3.184 ( 1.481 0.000 2.252) 2.695 3.346 ( -5.778 0.000 -5.836) 8.213 3.533 ( -1.921 0.000 -7.565) 7.805 3.804 ( -3.152 0.000 -6.764) 7.462 3.869 ( 4.340 0.000 6.297) 7.648 4.006 ( -5.093 0.000 -3.217) 6.023 4.148 ( -4.065 0.000 -5.343) 6.713 4.297 ( -14.796 0.000 -5.306) 15.719 4.301 ( -4.733 0.000 8.567) 9.787 6.743 ( 14.352 0.000 5.406) 15.337 7.116 ( 22.868 0.000 -4.206) 23.252 7.506 ( 0.080 0.000 12.561) 12.561 7.995 ( 2.595 0.000 7.403) 7.845 8.138 ( 12.747 0.000 10.347) 16.418 8.501 ( 7.273 0.000 4.466) 8.535 8.659 ( 8.620 0.000 9.980) 13.188 9.071 ( -23.384 0.000 -1.230) 23.417 9.457 ( -7.094 0.000 -10.924) 13.025 9.671 ( 40.545 0.000 -1.101) 40.560 9.907 ( -18.193 0.000 -16.758) 24.735 10.460 ( -5.557 0.000 8.189) 9.897 10.741 ( -15.028 0.000 11.497) 18.922 10.813 ( 8.343 0.000 -1.967) 8.572 11.028 ( 8.373 0.000 9.674) 12.795 11.413 ( -7.709 0.000 -5.656) 9.561 11.642 ( -14.202 0.000 3.982) 14.750 12.019 ( -14.473 0.000 2.489) 14.685 12.666 ( 20.143 0.000 -3.761) 20.491 13.030 ( 2.489 0.000 -8.937) 9.277 13.097 ( 16.404 0.000 -11.729) 20.166 13.159 ( 1.814 0.000 -9.544) 9.715 13.181 ( 9.845 0.000 -10.235) 14.202 13.396 ( -8.543 0.000 -11.664) 14.458 13.856 ( -13.564 0.000 2.337) 13.763 14.047 ( 20.443 0.000 17.554) 26.946 14.349 ( -3.066 0.000 -8.011) 8.578 14.441 ( 11.583 0.000 0.050) 11.583 14.596 ( -27.828 0.000 -12.378) 30.456 14.801 ( 9.829 0.000 -5.403) 11.217 15.142 ( -15.668 0.000 -14.218) 21.158 15.205 ( -1.074 0.000 18.503) 18.534 15.360 ( 2.005 0.000 2.423) 3.145 15.888 ( 32.311 0.000 19.756) 37.873 16.557 ( 26.901 0.000 -3.242) 27.095 16.670 ( -27.093 0.000 -18.249) 32.666 16.942 ( 27.610 0.000 10.573) 29.565 18.031 ( -25.415 0.000 10.577) 27.528 18.037 ( 4.601 0.000 13.256) 14.032 18.185 ( 5.250 0.000 17.593) 18.360 18.544 ( -24.079 0.000 -8.400) 25.502 18.869 ( -23.202 0.000 7.728) 24.456 18.933 ( 5.382 0.000 1.707) 5.646 19.267 ( -4.147 0.000 0.147) 4.149 21.054 ( 17.577 0.000 -1.170) 17.616 21.091 ( 6.414 0.000 -7.258) 9.686 21.538 ( -6.542 0.000 -10.579) 12.438 21.718 ( -3.768 0.000 -3.227) 4.961 ======================= Grid point 67 (25/120) ======================= q-point: ( 0.44 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 21.660 0.000 -7.051) 22.779 2.891 ( -8.456 0.000 -1.314) 8.557 2.958 ( 14.348 0.000 3.084) 14.676 3.156 ( -4.918 0.000 2.198) 5.387 3.250 ( 1.826 0.000 0.721) 1.963 3.398 ( -9.236 0.000 -2.810) 9.654 3.795 ( 3.232 0.000 -7.337) 8.018 3.877 ( -3.478 0.000 -1.744) 3.890 3.955 ( 0.833 0.000 -3.396) 3.496 4.051 ( -8.343 0.000 -3.995) 9.250 4.149 ( 2.722 0.000 4.956) 5.654 4.219 ( -3.651 0.000 10.402) 11.024 7.083 ( 17.203 0.000 6.541) 18.405 7.396 ( -11.012 0.000 9.505) 14.547 7.599 ( 21.510 0.000 0.044) 21.510 7.938 ( -9.515 0.000 5.831) 11.160 8.382 ( 11.144 0.000 9.017) 14.335 8.651 ( -16.014 0.000 4.826) 16.726 8.686 ( 8.710 0.000 2.449) 9.048 8.781 ( 1.151 0.000 5.867) 5.979 9.385 ( 2.090 0.000 -11.041) 11.237 9.564 ( -13.633 0.000 -16.018) 21.034 10.370 ( -0.631 0.000 11.493) 11.511 10.472 ( -9.820 0.000 11.536) 15.150 10.491 ( 36.804 0.000 -5.193) 37.169 11.015 ( 10.546 0.000 -1.620) 10.670 11.152 ( -22.491 0.000 -6.541) 23.423 11.270 ( -15.390 0.000 -0.656) 15.404 11.287 ( 15.494 0.000 8.514) 17.679 11.652 ( -18.748 0.000 6.903) 19.979 13.070 ( 16.634 0.000 -7.849) 18.393 13.077 ( 2.529 0.000 -11.023) 11.310 13.140 ( -3.143 0.000 -14.438) 14.776 13.282 ( -2.187 0.000 -13.239) 13.418 13.380 ( 6.017 0.000 0.617) 6.048 13.495 ( 21.253 0.000 -12.467) 24.640 13.577 ( -12.111 0.000 1.706) 12.230 13.995 ( -26.323 0.000 -11.595) 28.764 14.393 ( 7.365 0.000 -9.645) 12.136 14.467 ( 18.764 0.000 15.283) 24.201 14.595 ( -4.990 0.000 -8.482) 9.841 14.789 ( -10.498 0.000 10.456) 14.816 14.912 ( 1.177 0.000 7.555) 7.646 15.083 ( -9.366 0.000 14.785) 17.502 15.589 ( 19.563 0.000 -12.434) 23.181 16.068 ( -24.018 0.000 -15.351) 28.505 16.672 ( 35.028 0.000 17.322) 39.077 17.186 ( 30.507 0.000 -4.821) 30.886 17.407 ( -33.522 0.000 15.041) 36.741 17.489 ( 17.856 0.000 6.677) 19.064 17.981 ( -14.916 0.000 -1.204) 14.965 18.129 ( -6.482 0.000 12.279) 13.885 18.253 ( -0.814 0.000 12.739) 12.765 18.375 ( -18.494 0.000 10.813) 21.423 19.052 ( 5.789 0.000 1.458) 5.970 19.168 ( -5.227 0.000 0.890) 5.302 21.238 ( 7.445 0.000 -9.726) 12.248 21.378 ( 13.086 0.000 -4.111) 13.716 21.394 ( -7.278 0.000 -10.847) 13.062 21.597 ( -7.986 0.000 -4.448) 9.141 ======================= Grid point 72 (26/120) ======================= q-point: ( 0.00 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 0.000 24.295 24.347) 34.395 1.091 ( 0.000 32.315 21.319) 38.714 1.893 ( 0.000 45.065 44.544) 63.364 3.050 ( 0.000 1.055 2.221) 2.459 3.229 ( 0.000 -5.047 1.460) 5.254 3.356 ( 0.000 -1.569 -8.894) 9.031 3.865 ( 0.000 -0.097 -1.522) 1.525 4.005 ( 0.000 3.326 -1.194) 3.534 4.253 ( 0.000 -4.759 -6.345) 7.932 4.349 ( 0.000 -2.926 -2.088) 3.595 4.695 ( 0.000 -3.871 -1.189) 4.049 5.037 ( 0.000 -6.399 -12.905) 14.405 6.465 ( 0.000 10.373 5.394) 11.692 6.837 ( 0.000 1.004 6.433) 6.511 7.250 ( 0.000 -0.549 10.237) 10.251 7.613 ( 0.000 -6.637 -2.780) 7.196 7.615 ( 0.000 1.018 16.236) 16.268 7.849 ( 0.000 -3.906 2.995) 4.922 8.085 ( 0.000 -0.376 -4.256) 4.273 8.408 ( 0.000 7.984 2.423) 8.344 9.891 ( 0.000 -12.634 -10.704) 16.559 10.121 ( 0.000 5.647 -4.651) 7.316 10.342 ( 0.000 8.858 -9.901) 13.285 10.379 ( 0.000 -17.821 -3.989) 18.262 10.677 ( 0.000 9.019 -0.508) 9.033 11.031 ( 0.000 -12.004 9.345) 15.213 11.237 ( 0.000 -8.039 3.911) 8.940 11.487 ( 0.000 6.249 -11.241) 12.862 12.071 ( 0.000 3.795 17.296) 17.707 12.102 ( 0.000 0.779 -6.918) 6.962 12.224 ( 0.000 14.154 11.732) 18.384 12.544 ( 0.000 1.202 1.969) 2.307 12.785 ( 0.000 1.968 2.141) 2.908 13.083 ( 0.000 -4.611 3.063) 5.535 13.132 ( 0.000 -0.188 3.449) 3.454 13.288 ( 0.000 6.792 11.940) 13.737 13.718 ( 0.000 1.181 -18.212) 18.250 14.074 ( 0.000 -2.481 -3.727) 4.477 14.090 ( 0.000 -4.168 -6.077) 7.369 14.212 ( 0.000 -9.443 -7.591) 12.115 14.475 ( 0.000 7.378 11.110) 13.337 14.596 ( 0.000 -5.457 12.204) 13.369 15.039 ( 0.000 15.914 8.354) 17.974 15.456 ( 0.000 0.761 -5.611) 5.662 15.481 ( 0.000 9.150 -8.993) 12.829 15.825 ( 0.000 -2.924 -30.697) 30.836 15.975 ( 0.000 6.622 0.283) 6.628 16.576 ( 0.000 -4.300 9.352) 10.293 17.292 ( 0.000 -7.371 24.659) 25.737 18.208 ( 0.000 -15.222 19.432) 24.684 18.259 ( 0.000 -11.458 -14.406) 18.407 18.359 ( 0.000 -3.710 -0.429) 3.735 18.601 ( 0.000 -13.417 -14.010) 19.399 18.687 ( 0.000 -2.337 -4.370) 4.956 19.279 ( 0.000 -15.052 -0.200) 15.053 19.397 ( 0.000 -3.039 -12.184) 12.557 20.450 ( 0.000 22.055 17.678) 28.266 21.052 ( 0.000 14.494 2.471) 14.703 21.788 ( 0.000 1.045 1.197) 1.588 22.152 ( 0.000 0.512 -7.010) 7.029 ======================= Grid point 73 (27/120) ======================= q-point: ( 0.11 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 14.563 24.259 18.007) 33.539 1.290 ( 24.023 14.399 20.544) 34.734 2.271 ( 28.805 36.336 33.102) 56.971 3.062 ( 1.021 -0.316 1.868) 2.152 3.234 ( 2.185 -4.634 0.378) 5.137 3.379 ( 2.128 -1.902 -8.972) 9.415 3.834 ( -4.005 -0.085 -3.656) 5.424 3.990 ( -1.028 2.443 0.596) 2.717 4.203 ( -4.608 -5.094 -4.947) 8.465 4.317 ( -2.616 -2.266 -3.944) 5.247 4.623 ( -6.652 -3.033 -0.525) 7.330 4.914 ( -11.033 -5.032 -10.875) 16.289 6.521 ( 6.018 8.304 3.452) 10.820 6.691 ( -5.342 16.788 3.655) 17.993 7.308 ( 5.422 -1.022 11.829) 13.052 7.561 ( 5.621 -6.620 12.030) 14.837 7.794 ( 5.862 -1.017 0.380) 5.962 8.109 ( 22.206 -7.991 6.090) 24.373 8.235 ( 9.801 -5.698 5.089) 12.426 8.429 ( 1.727 7.263 2.635) 7.917 9.768 ( -7.684 -6.906 -9.882) 14.297 10.006 ( -19.147 -5.729 -7.675) 21.408 10.279 ( 8.416 -1.395 -3.339) 9.161 10.503 ( 0.336 3.928 -6.341) 7.466 10.698 ( 1.821 8.123 0.327) 8.331 10.938 ( -6.897 -13.956 5.017) 16.355 11.225 ( -3.575 -7.291 6.637) 10.488 11.509 ( 1.546 3.973 -6.372) 7.667 11.982 ( -0.546 1.295 5.990) 6.152 12.219 ( -1.568 14.897 6.167) 16.199 12.241 ( 6.450 7.445 -3.064) 10.316 12.532 ( 2.198 -3.726 -0.437) 4.348 12.854 ( 5.254 1.706 -1.112) 5.634 13.044 ( -0.988 -0.160 3.267) 3.417 13.155 ( 2.023 2.749 1.307) 3.655 13.427 ( 9.988 7.538 9.181) 15.520 13.793 ( 0.954 -7.811 -10.631) 13.226 13.979 ( -0.894 -0.119 -15.335) 15.361 14.092 ( -0.017 -6.842 -3.401) 7.640 14.348 ( 3.781 -9.721 -2.426) 10.709 14.545 ( 6.181 8.352 2.916) 10.792 14.693 ( 12.441 -3.568 16.306) 20.818 15.062 ( 3.487 18.329 8.402) 20.462 15.400 ( -0.986 -2.732 -0.923) 3.048 15.605 ( 0.729 5.743 -14.884) 15.970 15.697 ( -11.010 -3.009 -26.032) 28.424 15.946 ( -0.055 5.694 -2.539) 6.235 16.408 ( -6.154 -0.052 20.113) 21.033 17.556 ( 17.966 -7.419 19.862) 27.790 17.847 ( -22.847 0.608 -12.749) 26.170 18.074 ( -9.332 1.351 11.299) 14.717 18.412 ( 3.191 -17.639 2.570) 18.109 18.675 ( 0.972 -5.611 -10.683) 12.106 18.921 ( 8.829 -24.372 -0.994) 25.941 19.193 ( -8.015 -14.052 -3.948) 16.652 19.376 ( -3.363 -4.561 -7.293) 9.236 20.546 ( 9.247 19.604 13.393) 25.480 21.071 ( 1.876 14.442 0.753) 14.583 21.789 ( 0.023 1.187 0.402) 1.253 21.985 ( -11.197 6.169 -4.904) 13.693 ======================= Grid point 74 (28/120) ======================= q-point: ( 0.22 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 21.707 13.366 5.964) 26.181 1.871 ( 28.767 0.840 15.776) 32.820 2.795 ( 17.137 21.895 18.630) 33.468 3.091 ( 1.730 -3.349 0.632) 3.822 3.359 ( 7.541 -0.814 -0.959) 7.645 3.450 ( 5.258 -4.145 -7.012) 9.695 3.720 ( -5.417 -1.581 -6.232) 8.407 3.941 ( -4.227 -0.210 2.441) 4.886 4.083 ( -5.987 -3.632 -2.500) 7.436 4.248 ( -3.998 -1.755 -6.078) 7.484 4.445 ( -9.397 -0.985 1.913) 9.640 4.626 ( -15.153 -1.722 -7.165) 16.849 6.698 ( 5.285 18.408 3.467) 19.463 6.749 ( 15.639 4.877 -1.346) 16.437 7.435 ( 6.056 -0.656 13.971) 15.241 7.791 ( 14.084 -5.972 11.325) 19.034 7.910 ( 5.696 0.891 2.793) 6.406 8.362 ( 6.674 -6.863 10.810) 14.439 8.489 ( 5.001 4.350 3.285) 7.398 8.757 ( 33.296 -7.024 3.339) 34.193 9.551 ( -23.388 -4.594 -5.049) 24.364 9.631 ( -4.370 -1.354 -8.902) 10.009 10.353 ( -14.056 9.808 -9.067) 19.390 10.419 ( 3.440 -5.561 -0.342) 6.548 10.755 ( 3.975 6.815 -0.285) 7.895 10.831 ( -1.748 -11.793 5.455) 13.110 11.053 ( -11.671 -1.204 9.580) 15.148 11.535 ( 0.418 -0.249 -4.652) 4.677 11.963 ( -6.579 9.100 7.953) 13.760 12.206 ( 3.373 8.336 -4.838) 10.212 12.388 ( 7.204 5.808 -1.478) 9.371 12.679 ( 10.026 -8.802 -3.883) 13.895 12.903 ( 1.328 -3.945 -5.458) 6.864 13.110 ( 6.591 7.115 -4.199) 10.568 13.210 ( 2.691 7.763 -2.357) 8.547 13.552 ( -6.794 -9.224 -12.482) 16.942 13.763 ( 10.272 9.057 7.471) 15.600 14.035 ( -5.270 -6.366 -1.283) 8.364 14.143 ( 10.403 -3.511 -0.392) 10.986 14.309 ( -2.683 -6.551 -0.637) 7.107 14.782 ( 12.257 13.618 -8.947) 20.390 14.973 ( 10.711 -4.270 5.544) 12.794 15.171 ( -22.174 0.268 -7.680) 23.468 15.306 ( 15.235 10.228 12.331) 22.108 15.429 ( -6.001 -0.115 -10.228) 11.859 15.531 ( -3.259 1.443 -0.718) 3.636 16.098 ( 12.174 -3.833 -3.249) 13.170 16.505 ( 14.894 6.460 17.395) 23.794 17.317 ( -25.940 5.520 -17.389) 31.714 17.901 ( 12.797 -6.773 18.143) 23.212 17.996 ( 0.771 1.896 12.001) 12.175 18.441 ( -5.377 -4.835 5.398) 9.024 18.591 ( -3.533 -17.930 -0.773) 18.291 18.880 ( -14.842 -13.816 -5.799) 21.090 19.036 ( -3.994 -23.775 -2.027) 24.193 19.212 ( -11.875 -5.563 1.966) 13.260 20.816 ( 15.570 14.081 4.490) 21.468 21.132 ( 3.955 13.834 -3.025) 14.703 21.775 ( -4.183 4.500 -5.107) 7.989 21.793 ( -4.545 4.764 -4.185) 7.802 ======================= Grid point 75 (29/120) ======================= q-point: ( 0.33 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 22.172 5.060 -2.090) 22.838 2.416 ( 22.268 -5.660 11.410) 25.653 3.025 ( 7.111 11.462 4.972) 14.376 3.121 ( 0.620 -5.050 -0.320) 5.098 3.391 ( -4.861 3.524 -3.132) 6.772 3.506 ( -0.798 -3.027 -5.321) 6.173 3.684 ( 0.180 -12.797 -3.677) 13.316 3.814 ( -7.176 -2.188 0.895) 7.555 4.006 ( -1.096 -1.033 2.277) 2.730 4.161 ( -3.781 0.444 -5.723) 6.874 4.259 ( -8.461 -0.239 1.887) 8.672 4.350 ( -9.369 1.722 -1.020) 9.581 6.882 ( 12.115 13.290 4.702) 18.588 7.156 ( 21.916 4.220 -1.354) 22.359 7.530 ( 2.119 1.967 13.354) 13.663 7.998 ( 2.732 -0.221 8.877) 9.290 8.092 ( 12.688 -3.447 7.797) 15.286 8.514 ( 7.984 1.239 4.559) 9.277 8.634 ( 7.907 -1.800 7.526) 11.063 9.065 ( -21.467 -1.237 -0.882) 21.520 9.274 ( 7.763 -12.784 -4.642) 15.660 9.793 ( 27.092 6.445 -5.055) 28.303 9.994 ( -18.510 9.348 -14.960) 25.570 10.399 ( -3.976 -5.274 4.820) 8.177 10.741 ( -11.079 0.750 10.574) 15.333 10.879 ( 6.972 4.982 -1.688) 8.733 10.941 ( 6.463 -5.892 6.639) 10.980 11.489 ( -5.778 2.105 -5.653) 8.353 11.744 ( -13.312 11.544 4.524) 18.192 12.076 ( -15.309 5.963 2.261) 16.584 12.648 ( 15.264 -1.756 -3.548) 15.769 12.897 ( 8.304 -9.983 -8.863) 15.722 13.003 ( 9.007 -7.277 -10.014) 15.309 13.219 ( -2.446 4.107 -14.981) 15.725 13.270 ( 7.403 7.602 -8.023) 13.303 13.424 ( 0.133 1.358 -1.275) 1.868 13.858 ( -5.808 -0.691 2.260) 6.270 14.103 ( 12.138 1.994 5.904) 13.644 14.191 ( 0.257 -9.129 -1.913) 9.331 14.440 ( 4.340 -1.584 4.128) 6.195 14.607 ( -17.782 3.888 -7.620) 19.733 14.976 ( -1.843 6.115 -1.195) 6.498 15.084 ( -13.430 -3.713 -11.930) 18.343 15.177 ( 8.671 8.395 -8.247) 14.617 15.499 ( -1.282 6.618 11.851) 13.634 15.924 ( 32.850 4.373 20.182) 38.802 16.462 ( 17.096 -6.725 -3.482) 18.699 16.763 ( -9.299 7.332 -12.907) 17.516 16.995 ( 18.578 5.241 8.560) 21.116 17.975 ( -9.905 -3.550 11.129) 15.315 18.075 ( -3.009 -0.873 14.320) 14.659 18.164 ( -4.347 0.444 13.494) 14.183 18.466 ( -22.484 -7.524 -7.620) 24.904 18.643 ( 1.732 -24.404 2.326) 24.575 18.796 ( -16.793 -12.496 5.451) 21.630 19.033 ( -4.705 -19.120 1.721) 19.766 21.150 ( 15.448 9.235 -1.857) 18.094 21.233 ( 5.659 12.617 -6.579) 15.313 21.637 ( -6.520 7.953 -10.077) 14.398 21.744 ( -3.271 2.457 -3.337) 5.279 ======================= Grid point 76 (30/120) ======================= q-point: ( 0.44 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( 19.028 -0.537 -4.446) 19.547 2.745 ( 5.693 -7.569 4.940) 10.682 3.048 ( -4.453 3.866 -5.307) 7.933 3.087 ( -4.123 -4.606 -1.137) 6.285 3.336 ( 4.100 6.531 0.854) 7.759 3.452 ( -4.768 2.594 -1.685) 5.683 3.676 ( -0.332 -13.604 -1.881) 13.738 3.695 ( -3.151 -9.942 -0.499) 10.441 3.989 ( 0.250 -0.903 -0.940) 1.327 4.054 ( -5.700 1.055 -3.214) 6.628 4.177 ( 0.636 1.787 2.072) 2.809 4.226 ( -3.834 0.604 5.381) 6.634 7.178 ( 15.067 9.207 6.333) 18.759 7.435 ( -6.556 3.892 9.611) 12.268 7.643 ( 17.846 4.032 3.204) 18.575 7.944 ( -8.724 0.417 6.853) 11.102 8.337 ( 11.124 -3.831 8.219) 14.352 8.575 ( -9.429 -4.827 5.301) 11.846 8.736 ( 3.759 1.921 1.948) 4.649 8.800 ( -1.110 0.898 3.918) 4.170 9.366 ( 7.483 -0.724 -8.100) 11.051 9.627 ( -15.982 7.273 -14.823) 22.979 10.343 ( 0.792 -2.078 7.141) 7.479 10.381 ( 7.831 -2.131 -1.516) 8.256 10.633 ( 17.389 6.698 4.918) 19.272 11.040 ( 6.457 1.101 -1.726) 6.773 11.106 ( 4.878 -6.760 3.120) 8.901 11.210 ( -22.116 3.042 -5.418) 22.972 11.521 ( -2.234 14.947 2.890) 15.387 11.712 ( -16.706 6.806 6.686) 19.239 12.895 ( 7.189 -13.092 -8.933) 17.404 12.964 ( -0.013 -10.596 -8.241) 13.424 13.167 ( 2.167 1.369 -13.611) 13.850 13.223 ( -0.315 -2.620 -10.521) 10.847 13.442 ( 15.970 3.765 -5.268) 17.233 13.545 ( 8.552 4.570 -0.852) 9.734 13.743 ( -5.845 11.253 3.139) 13.063 13.973 ( -24.779 -3.110 -5.691) 25.614 14.225 ( 9.694 -11.652 -6.202) 16.377 14.407 ( 3.650 0.154 -7.087) 7.974 14.659 ( -1.888 -1.073 -3.576) 4.184 14.796 ( -7.545 -1.365 3.048) 8.251 14.956 ( 6.729 5.491 11.721) 14.589 15.195 ( -10.049 11.020 14.756) 20.980 15.690 ( 19.848 9.850 -11.414) 24.925 16.156 ( -22.651 8.696 -14.273) 28.150 16.685 ( 35.372 1.592 17.489) 39.491 17.179 ( 30.121 -0.632 -4.307) 30.434 17.395 ( -21.726 -0.811 11.968) 24.818 17.524 ( 8.426 2.710 10.469) 13.709 17.899 ( -18.270 -7.652 -2.053) 19.914 18.076 ( -10.410 -5.628 10.661) 15.928 18.215 ( 0.185 -3.799 12.539) 13.104 18.309 ( -15.173 -6.405 10.544) 19.555 18.809 ( 6.128 -22.898 1.985) 23.787 18.931 ( -5.345 -21.981 1.667) 22.683 21.360 ( 6.512 10.843 -9.109) 15.587 21.436 ( 10.696 5.984 -4.777) 13.154 21.504 ( -5.552 9.168 -9.893) 14.586 21.638 ( -7.107 3.856 -4.628) 9.316 ======================= Grid point 81 (31/120) ======================= q-point: ( 0.00 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 0.000 32.941 5.794) 33.446 1.750 ( 0.000 33.549 10.872) 35.266 2.781 ( 0.000 43.233 23.438) 49.178 2.976 ( 0.000 -10.192 -1.836) 10.356 3.076 ( 0.000 -10.881 2.149) 11.091 3.399 ( 0.000 6.942 -4.576) 8.314 3.861 ( 0.000 -0.457 -2.577) 2.617 4.074 ( 0.000 -0.701 -0.225) 0.736 4.151 ( 0.000 -1.753 -4.658) 4.976 4.292 ( 0.000 -1.718 -4.178) 4.517 4.591 ( 0.000 -6.701 -1.336) 6.833 4.852 ( 0.000 -12.713 -9.609) 15.936 6.632 ( 0.000 7.776 11.212) 13.645 6.880 ( 0.000 3.535 6.436) 7.343 7.202 ( 0.000 -4.527 16.156) 16.778 7.506 ( 0.000 -7.633 6.205) 9.837 7.653 ( 0.000 2.780 7.653) 8.142 7.719 ( 0.000 -4.319 -4.526) 6.257 8.219 ( 0.000 11.841 -8.121) 14.358 8.638 ( 0.000 15.722 1.938) 15.841 9.516 ( 0.000 -25.290 -8.332) 26.628 9.956 ( 0.000 -24.177 -2.842) 24.344 10.258 ( 0.000 6.879 -7.561) 10.222 10.450 ( 0.000 0.902 -10.764) 10.802 10.867 ( 0.000 6.508 8.446) 10.662 11.026 ( 0.000 15.218 -1.772) 15.321 11.121 ( 0.000 -4.367 7.883) 9.012 11.569 ( 0.000 2.046 -14.747) 14.888 12.151 ( 0.000 5.089 -5.536) 7.520 12.178 ( 0.000 5.922 15.385) 16.486 12.361 ( 0.000 0.135 10.074) 10.075 12.671 ( 0.000 10.443 4.846) 11.513 12.789 ( 0.000 -1.847 1.891) 2.643 12.987 ( 0.000 -5.642 3.902) 6.859 13.169 ( 0.000 4.447 -0.485) 4.474 13.440 ( 0.000 8.653 13.560) 16.086 13.597 ( 0.000 -9.709 -14.129) 17.144 13.952 ( 0.000 -9.465 -12.360) 15.568 13.983 ( 0.000 -9.950 -1.982) 10.145 14.003 ( 0.000 -9.144 5.164) 10.502 14.536 ( 0.000 -0.309 19.158) 19.160 14.569 ( 0.000 2.862 13.219) 13.525 15.447 ( 0.000 10.797 -5.193) 11.981 15.521 ( 0.000 19.736 -6.727) 20.851 15.627 ( 0.000 2.154 -20.557) 20.670 15.797 ( 0.000 3.378 -19.033) 19.330 16.100 ( 0.000 4.902 0.403) 4.918 16.507 ( 0.000 -0.619 13.075) 13.089 17.085 ( 0.000 -13.780 22.945) 26.765 17.758 ( 0.000 -35.154 2.561) 35.247 18.060 ( 0.000 0.239 14.751) 14.753 18.392 ( 0.000 3.569 -7.590) 8.387 18.466 ( 0.000 -4.766 -19.976) 20.537 18.625 ( 0.000 -3.616 -5.890) 6.911 19.045 ( 0.000 -7.135 0.096) 7.136 19.293 ( 0.000 -7.088 -13.622) 15.356 20.912 ( 0.000 24.457 10.690) 26.692 21.358 ( 0.000 15.453 1.867) 15.565 21.800 ( 0.000 -0.334 1.072) 1.123 22.041 ( 0.000 -10.881 -1.608) 10.999 ======================= Grid point 82 (32/120) ======================= q-point: ( 0.11 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 9.221 27.430 8.616) 30.194 1.815 ( 7.414 30.324 10.398) 32.904 2.971 ( 5.860 6.798 4.815) 10.185 2.986 ( 6.317 14.131 9.531) 18.178 3.095 ( 5.649 -7.414 3.298) 9.886 3.394 ( -0.412 4.500 -5.560) 7.164 3.826 ( -3.880 -0.864 -3.300) 5.166 4.013 ( -5.502 -4.314 0.416) 7.005 4.131 ( -1.544 1.916 -3.332) 4.142 4.272 ( -1.815 -1.098 -4.854) 5.297 4.540 ( -4.735 -5.522 -0.968) 7.338 4.769 ( -7.498 -9.888 -8.168) 14.856 6.660 ( 4.928 7.910 6.292) 11.245 7.018 ( 8.849 11.743 4.886) 15.494 7.257 ( 5.061 -4.086 16.374) 17.619 7.487 ( 1.110 1.213 4.006) 4.330 7.768 ( 9.075 -2.786 6.372) 11.433 7.876 ( 14.272 -10.589 1.344) 17.822 8.289 ( 8.297 8.327 0.342) 11.760 8.641 ( 0.057 14.416 2.016) 14.557 9.482 ( -2.381 -22.321 -6.872) 23.476 9.775 ( -14.681 -17.368 -3.467) 23.004 10.285 ( 2.210 2.583 -6.368) 7.219 10.536 ( 5.625 -3.924 -6.771) 9.638 10.851 ( -2.642 5.761 8.783) 10.831 10.937 ( -6.831 15.842 -4.712) 17.883 11.119 ( -0.956 -2.870 6.277) 6.968 11.553 ( -2.419 0.516 -9.129) 9.458 12.028 ( -1.208 3.710 4.387) 5.872 12.321 ( 3.526 0.167 0.986) 3.665 12.411 ( 8.452 3.340 2.129) 9.334 12.625 ( -6.329 14.046 2.247) 15.569 12.841 ( 2.255 -3.210 -2.075) 4.438 13.070 ( 8.203 1.824 5.997) 10.324 13.202 ( 4.106 2.630 -3.266) 5.868 13.475 ( -2.002 -5.568 -9.303) 11.025 13.675 ( 9.476 0.584 10.646) 14.264 13.889 ( 0.310 -7.651 -7.776) 10.913 14.020 ( 1.446 -3.539 2.758) 4.714 14.116 ( 4.077 -13.035 0.502) 13.667 14.628 ( 11.153 1.888 15.596) 19.266 14.687 ( 10.390 1.912 8.103) 13.315 15.383 ( -5.386 0.835 -6.571) 8.537 15.526 ( 0.502 23.395 -3.821) 23.710 15.618 ( -4.167 1.511 -18.518) 19.041 15.713 ( -5.799 4.390 -14.443) 16.171 15.981 ( -9.540 -2.877 -4.166) 10.800 16.503 ( 5.991 10.761 20.976) 24.324 17.345 ( 17.949 -14.394 18.118) 29.285 17.756 ( -2.512 -26.292 -1.670) 26.464 17.962 ( -10.848 -4.587 5.270) 12.903 18.141 ( -6.936 2.741 -2.174) 7.768 18.558 ( -4.916 -13.046 -2.534) 14.170 18.651 ( 3.800 -2.075 -12.495) 13.223 18.954 ( -8.577 -7.366 -0.499) 11.317 19.258 ( -4.340 -7.340 -7.684) 11.479 20.970 ( 5.679 22.840 7.749) 24.779 21.374 ( 1.540 15.249 0.521) 15.335 21.805 ( 0.371 -0.120 0.283) 0.481 21.974 ( -5.372 -6.826 -3.144) 9.238 ======================= Grid point 83 (33/120) ======================= q-point: ( 0.22 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 12.514 17.526 10.019) 23.752 2.083 ( 16.851 19.019 7.367) 26.457 2.975 ( 0.290 -9.003 -1.593) 9.148 3.081 ( 3.038 -0.248 3.279) 4.477 3.358 ( 8.575 1.754 2.331) 9.058 3.392 ( 2.058 2.076 -4.044) 4.990 3.680 ( -9.853 -1.793 -4.545) 10.998 3.884 ( -6.238 -5.443 3.074) 8.832 4.088 ( -2.677 4.304 -0.083) 5.069 4.226 ( -2.173 1.074 -6.222) 6.678 4.407 ( -7.423 -3.146 0.295) 8.068 4.570 ( -10.643 -4.133 -5.681) 12.752 6.866 ( 14.130 7.963 1.693) 16.307 7.134 ( 3.785 23.032 3.001) 23.533 7.386 ( 7.670 -4.879 15.440) 17.917 7.688 ( 14.944 -2.717 9.795) 18.073 7.930 ( 7.311 0.951 3.021) 7.968 8.216 ( 15.430 -8.492 6.400) 18.739 8.625 ( 8.919 5.994 2.421) 11.015 8.652 ( 14.629 2.270 3.681) 15.255 9.390 ( -16.725 -11.856 -3.186) 20.747 9.500 ( 1.935 -13.453 -2.521) 13.824 10.318 ( 0.091 -2.465 -3.770) 4.505 10.638 ( -2.309 -5.348 -0.552) 5.851 10.641 ( -7.871 14.726 -5.448) 17.564 10.891 ( 0.516 6.569 1.744) 6.816 11.047 ( -6.177 1.236 5.121) 8.118 11.490 ( -1.896 -3.616 -4.685) 6.215 12.093 ( 3.072 4.873 1.830) 6.044 12.409 ( 2.892 0.432 -3.500) 4.561 12.465 ( -4.400 7.472 -3.821) 9.476 12.620 ( 8.902 6.195 0.931) 10.885 12.829 ( -1.613 -2.396 -2.272) 3.675 13.237 ( 5.647 2.868 -6.258) 8.904 13.329 ( 0.614 -7.137 -4.799) 8.622 13.378 ( 2.841 5.661 -12.042) 13.606 13.812 ( -1.467 -4.704 -2.016) 5.323 14.007 ( 4.155 -8.595 11.868) 15.231 14.039 ( 5.645 4.421 7.605) 10.452 14.184 ( 7.223 -5.813 6.748) 11.468 14.903 ( 5.085 0.765 -6.532) 8.314 14.993 ( 20.218 4.099 2.276) 20.754 15.178 ( -16.572 0.540 -6.216) 17.708 15.409 ( -4.483 -4.333 -7.446) 9.711 15.497 ( -7.539 5.286 -12.718) 15.701 15.719 ( 11.331 25.139 10.566) 29.530 15.977 ( 8.916 -7.827 -1.586) 11.970 16.719 ( 13.008 14.539 16.179) 25.345 17.457 ( -20.312 8.353 -11.059) 24.590 17.698 ( 13.828 -13.986 17.200) 26.128 17.909 ( 3.970 -35.349 4.206) 35.819 18.069 ( -2.363 5.134 4.922) 7.494 18.437 ( -6.463 -25.522 0.312) 26.329 18.578 ( -10.998 2.370 -2.066) 11.439 18.704 ( -14.516 -10.576 -4.558) 18.529 19.080 ( -12.764 -7.880 2.263) 15.170 21.142 ( 10.284 18.221 1.555) 20.981 21.422 ( 2.997 14.484 -2.584) 15.015 21.809 ( -0.169 0.593 -1.789) 1.892 21.859 ( -5.097 -1.028 -6.246) 8.127 ======================= Grid point 84 (34/120) ======================= q-point: ( 0.33 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 14.975 8.410 4.794) 17.831 2.440 ( 15.686 7.626 6.611) 18.653 2.991 ( 0.925 -8.086 -2.500) 8.514 3.160 ( 4.228 -0.230 0.097) 4.235 3.367 ( -4.280 -9.613 -5.461) 11.855 3.416 ( -4.336 -8.632 -8.260) 12.710 3.504 ( -3.274 3.320 4.072) 6.191 3.739 ( -7.991 -5.653 4.355) 10.713 4.020 ( -3.322 3.284 0.912) 4.759 4.184 ( -2.813 2.573 -3.913) 5.463 4.256 ( -6.193 -1.084 0.842) 6.343 4.362 ( -8.523 -0.572 -3.572) 9.259 7.168 ( 11.992 12.612 1.384) 17.458 7.306 ( 14.566 12.974 7.115) 20.764 7.552 ( 7.132 -0.496 14.886) 16.514 7.942 ( 6.471 -4.909 9.690) 12.644 8.088 ( 8.480 3.104 4.167) 9.946 8.524 ( 12.891 -2.645 5.045) 14.093 8.619 ( -1.265 1.575 1.735) 2.663 9.000 ( -17.388 -5.645 0.392) 18.286 9.087 ( 16.371 -3.515 0.636) 16.756 9.804 ( 25.691 -7.031 -3.130) 26.819 10.241 ( -12.053 11.502 -8.461) 18.686 10.352 ( -6.192 5.816 -5.921) 10.355 10.755 ( 3.873 -3.664 5.018) 7.322 10.819 ( -5.535 -0.562 7.723) 9.518 10.995 ( 2.898 4.209 -2.834) 5.843 11.458 ( -3.480 -4.499 -6.548) 8.673 12.001 ( -10.262 12.459 0.679) 16.156 12.238 ( -14.551 10.105 2.066) 17.835 12.546 ( 4.827 -9.205 -7.953) 13.088 12.791 ( 3.180 -1.432 -2.071) 4.056 12.880 ( 10.559 -2.752 -3.521) 11.465 13.214 ( -1.456 -3.974 -11.738) 12.478 13.404 ( 5.077 4.955 -8.919) 11.396 13.527 ( 6.256 8.767 -1.962) 10.947 13.801 ( 5.328 -4.876 -2.918) 7.790 13.925 ( -6.830 -10.704 11.770) 17.314 14.168 ( 0.817 -2.371 -3.364) 4.196 14.437 ( 9.185 0.576 9.775) 13.426 14.721 ( -9.354 7.195 -5.343) 12.955 15.012 ( -7.174 2.100 -8.449) 11.281 15.034 ( -11.355 0.156 -11.689) 16.297 15.452 ( 3.652 0.271 4.152) 5.537 15.578 ( 14.795 14.288 -5.361) 21.256 16.107 ( 26.216 15.669 19.542) 36.258 16.333 ( 21.800 -6.601 -0.572) 22.785 16.950 ( -1.837 11.990 -4.287) 12.865 17.131 ( 3.032 8.490 5.032) 10.324 17.856 ( -2.716 -10.100 13.607) 17.162 17.995 ( -2.301 -10.738 5.239) 12.167 18.061 ( 7.718 -26.402 4.969) 27.953 18.229 ( -18.588 -3.129 5.392) 19.605 18.276 ( -10.839 -7.143 6.286) 14.423 18.385 ( -14.484 -21.682 -7.248) 27.063 18.757 ( -16.492 -10.390 8.374) 21.215 21.372 ( 10.959 12.581 -3.268) 17.002 21.496 ( 3.973 12.941 -5.737) 14.702 21.760 ( -4.181 3.458 -8.614) 10.181 21.793 ( -1.974 1.921 -3.694) 4.608 ======================= Grid point 85 (35/120) ======================= q-point: ( 0.44 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 13.351 1.182 1.903) 13.537 2.665 ( 3.411 -0.477 3.764) 5.102 3.005 ( 1.031 -4.952 -5.278) 7.310 3.102 ( -8.556 0.784 -8.876) 12.353 3.343 ( 5.558 -12.591 -0.927) 13.794 3.405 ( 0.668 -7.304 5.106) 8.937 3.447 ( -1.587 -0.103 -0.132) 1.596 3.560 ( -8.672 -4.174 3.104) 10.112 3.992 ( 1.468 2.207 -0.839) 2.780 4.077 ( -5.885 1.891 -2.133) 6.539 4.191 ( -0.477 -0.731 0.597) 1.058 4.229 ( -4.142 -0.585 -1.063) 4.316 7.399 ( 10.425 12.562 5.925) 17.367 7.536 ( 0.365 6.097 11.212) 12.768 7.721 ( 12.116 3.111 9.473) 15.691 7.934 ( -6.256 -2.189 9.120) 11.274 8.282 ( 9.805 -0.432 5.699) 11.349 8.499 ( -9.915 -2.319 3.860) 10.890 8.706 ( 3.712 -5.975 2.029) 7.321 8.766 ( -4.285 -4.852 2.257) 6.856 9.446 ( 19.581 10.828 -5.517) 23.046 9.866 ( -19.394 16.943 -13.352) 29.008 10.297 ( 9.464 -3.798 -1.080) 10.255 10.394 ( 4.317 2.811 -5.167) 7.297 10.712 ( 11.697 1.819 5.418) 13.018 10.949 ( 7.430 -7.907 1.545) 10.959 11.036 ( -1.258 -2.923 -2.147) 3.839 11.238 ( -18.051 -1.938 -4.723) 18.759 11.822 ( -2.969 15.532 0.745) 15.831 11.929 ( -12.019 14.778 5.963) 19.960 12.632 ( 4.248 -13.447 -8.308) 16.368 12.736 ( -5.116 -12.150 -4.624) 13.970 13.167 ( 10.160 0.189 -5.517) 11.563 13.231 ( 1.214 2.381 -9.167) 9.549 13.487 ( 7.255 0.795 -2.788) 7.812 13.678 ( 5.508 9.310 -0.833) 10.849 13.743 ( -7.551 -11.187 8.762) 16.091 13.958 ( -15.530 -0.393 -2.555) 15.743 14.074 ( 18.340 -1.624 -9.069) 20.524 14.488 ( -18.646 -5.947 -13.013) 23.503 14.591 ( 9.076 9.040 -6.676) 14.445 14.799 ( -8.979 3.544 -6.063) 11.399 15.089 ( 11.757 5.587 13.983) 19.104 15.342 ( -10.229 0.782 14.164) 17.489 15.983 ( 20.357 20.896 -12.826) 31.868 16.388 ( -16.515 15.076 -11.924) 25.341 16.755 ( 33.492 6.250 17.850) 38.463 17.156 ( 27.206 -2.481 -2.274) 27.413 17.377 ( -7.674 -1.943 9.029) 12.008 17.550 ( -1.367 -1.144 12.897) 13.020 17.759 ( -25.160 -4.168 -1.713) 25.560 17.887 ( -16.915 -15.507 3.675) 23.240 18.108 ( 0.396 -7.943 11.362) 13.868 18.157 ( -2.631 -7.524 9.845) 12.667 18.280 ( 6.569 -28.406 5.102) 29.598 18.465 ( -10.891 -21.617 6.327) 25.019 21.574 ( 7.062 8.697 -6.423) 12.913 21.585 ( 5.288 9.633 -6.948) 13.001 21.675 ( -3.848 7.159 -8.939) 12.082 21.723 ( -4.848 4.240 -5.147) 8.244 ======================= Grid point 90 (36/120) ======================= q-point: ( 0.00 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 0.000 28.355 -0.207) 28.356 2.343 ( 0.000 27.114 5.909) 27.751 2.673 ( 0.000 -20.475 -2.409) 20.616 2.787 ( 0.000 -18.724 3.387) 19.028 3.462 ( 0.000 23.290 3.052) 23.490 3.571 ( 0.000 8.197 -5.253) 9.736 3.840 ( 0.000 -1.590 0.279) 1.615 3.915 ( 0.000 -9.770 2.815) 10.168 4.260 ( 0.000 9.028 -3.338) 9.625 4.329 ( 0.000 6.217 -3.367) 7.070 4.444 ( 0.000 -8.363 -1.401) 8.479 4.559 ( 0.000 -16.368 -4.782) 17.052 6.793 ( 0.000 8.840 11.277) 14.328 6.928 ( 0.000 -2.139 6.909) 7.233 7.135 ( 0.000 1.845 17.677) 17.773 7.295 ( 0.000 -11.772 12.013) 16.819 7.704 ( 0.000 1.834 0.755) 1.983 7.711 ( 0.000 0.933 -3.934) 4.043 8.524 ( 0.000 19.969 -6.307) 20.941 8.985 ( 0.000 -21.613 -4.723) 22.123 9.010 ( 0.000 16.452 0.176) 16.453 9.469 ( 0.000 -25.216 -0.899) 25.232 10.370 ( 0.000 4.394 -10.426) 11.314 10.430 ( 0.000 -2.048 -11.313) 11.497 10.976 ( 0.000 4.842 12.355) 13.270 11.051 ( 0.000 -3.287 10.563) 11.063 11.372 ( 0.000 15.531 -13.619) 20.656 11.557 ( 0.000 -4.026 -16.977) 17.447 12.265 ( 0.000 2.933 14.649) 14.940 12.290 ( 0.000 3.258 6.492) 7.263 12.372 ( 0.000 8.545 1.949) 8.764 12.652 ( 0.000 -13.623 -2.172) 13.795 12.823 ( 0.000 4.677 7.008) 8.426 12.888 ( 0.000 -3.451 7.258) 8.037 13.306 ( 0.000 8.600 -3.131) 9.152 13.442 ( 0.000 -5.828 -10.287) 11.823 13.617 ( 0.000 9.497 11.898) 15.224 13.783 ( 0.000 -5.843 -10.270) 11.816 13.786 ( 0.000 -8.244 -7.537) 11.170 13.821 ( 0.000 -9.392 14.976) 17.677 14.562 ( 0.000 2.179 19.831) 19.951 14.593 ( 0.000 -0.435 16.715) 16.721 15.505 ( 0.000 2.763 -22.994) 23.159 15.576 ( 0.000 -4.287 -28.101) 28.427 15.941 ( 0.000 8.476 -9.367) 12.633 16.050 ( 0.000 6.403 -4.312) 7.719 16.180 ( 0.000 23.508 0.214) 23.509 16.635 ( 0.000 13.894 20.712) 24.940 16.747 ( 0.000 -22.895 15.259) 27.514 17.066 ( 0.000 -32.315 10.786) 34.068 18.149 ( 0.000 7.665 5.556) 9.467 18.322 ( 0.000 -9.370 -3.920) 10.156 18.472 ( 0.000 4.417 -8.262) 9.369 18.555 ( 0.000 -3.940 -8.808) 9.649 19.023 ( 0.000 3.872 -8.374) 9.226 19.145 ( 0.000 -7.664 -12.720) 14.850 21.368 ( 0.000 22.259 6.216) 23.111 21.613 ( 0.000 10.480 1.451) 10.580 21.747 ( 0.000 -10.488 1.424) 10.585 21.769 ( 0.000 -11.837 2.261) 12.051 ======================= Grid point 91 (37/120) ======================= q-point: ( 0.11 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 3.244 26.419 0.933) 26.634 2.368 ( 2.990 25.985 6.384) 26.924 2.688 ( 1.041 -19.584 -1.692) 19.685 2.801 ( 1.745 -18.496 3.420) 18.890 3.478 ( -0.440 13.428 -1.903) 13.569 3.528 ( -3.296 7.167 -4.883) 9.278 3.800 ( -4.011 -0.915 0.600) 4.157 3.871 ( -3.628 -7.328 3.800) 9.017 4.251 ( -1.105 8.578 -1.991) 8.875 4.325 ( -0.206 7.218 -4.122) 8.315 4.412 ( -3.016 -7.488 -1.027) 8.138 4.541 ( -2.017 -13.062 -4.680) 14.021 6.838 ( 5.747 10.132 8.089) 14.181 7.028 ( 7.704 -8.349 9.338) 14.705 7.287 ( 13.888 7.788 14.736) 21.695 7.465 ( 12.209 -8.138 10.282) 17.917 7.721 ( 5.287 3.010 1.222) 6.205 7.786 ( 5.691 -2.434 -1.491) 6.367 8.545 ( 3.624 18.500 -1.737) 18.932 8.972 ( -2.332 10.705 0.153) 10.957 8.994 ( 0.420 -17.001 -2.071) 17.132 9.385 ( -7.858 -21.619 -0.550) 23.010 10.360 ( -0.688 4.516 -9.056) 10.143 10.448 ( 1.420 -4.501 -8.741) 9.933 10.961 ( -1.260 4.570 9.482) 10.601 11.028 ( -2.131 -2.572 8.505) 9.138 11.322 ( -5.343 15.770 -10.372) 19.616 11.519 ( -4.416 -4.869 -11.723) 13.440 12.129 ( -2.825 6.427 5.441) 8.882 12.248 ( -1.941 -5.364 6.087) 8.342 12.522 ( 9.411 7.282 -1.759) 12.029 12.697 ( 2.919 -9.398 -3.267) 10.369 12.898 ( 0.725 11.157 2.312) 11.417 13.055 ( 10.011 -4.336 5.195) 12.083 13.276 ( 2.262 4.309 -6.471) 8.096 13.348 ( -3.661 -4.442 -13.075) 14.286 13.745 ( 8.357 2.292 14.817) 17.165 13.765 ( -0.435 -2.472 -0.267) 2.525 13.886 ( 6.044 -6.356 2.916) 9.243 13.931 ( 8.478 -6.294 8.528) 13.573 14.675 ( 11.504 2.524 13.899) 18.218 14.705 ( 10.505 -0.342 11.062) 15.260 15.422 ( -7.558 3.014 -15.050) 17.109 15.497 ( -8.328 -4.676 -22.394) 24.346 15.791 ( -9.061 4.255 -10.079) 14.205 15.884 ( -12.375 -5.252 -6.583) 14.968 16.211 ( 4.510 36.769 2.843) 37.154 16.772 ( 10.245 13.109 17.652) 24.257 16.940 ( 12.361 -29.067 7.751) 32.523 17.155 ( 9.213 -23.759 14.916) 29.527 18.043 ( -13.018 6.975 0.373) 14.773 18.162 ( -7.295 -3.154 -2.152) 8.234 18.421 ( -9.376 0.270 -6.125) 11.202 18.527 ( -1.241 -8.283 -8.270) 11.770 18.962 ( -6.090 5.796 -4.995) 9.779 19.105 ( -4.734 -8.141 -7.053) 11.765 21.396 ( 2.719 20.552 3.686) 21.056 21.623 ( 0.950 9.711 0.187) 9.759 21.749 ( -0.008 -12.775 0.221) 12.777 21.771 ( 0.452 -6.403 0.625) 6.449 ======================= Grid point 92 (38/120) ======================= q-point: ( 0.22 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 4.859 21.384 3.790) 22.255 2.484 ( 7.526 20.348 4.843) 22.229 2.717 ( 2.224 -16.906 -0.367) 17.056 2.868 ( 4.222 -16.962 4.632) 18.083 3.394 ( -5.526 3.071 -8.609) 10.681 3.449 ( -5.859 -1.027 -7.186) 9.328 3.691 ( -5.753 3.097 2.540) 7.010 3.774 ( -5.760 -5.270 4.825) 9.178 4.201 ( -3.692 6.482 -0.233) 7.463 4.311 ( -2.953 2.311 -3.496) 5.126 4.327 ( -3.620 -0.417 -1.306) 3.871 4.464 ( -5.389 -6.788 -4.379) 9.710 7.043 ( 13.274 9.918 6.320) 17.734 7.233 ( 11.628 -9.168 11.387) 18.679 7.528 ( 4.686 14.917 4.740) 16.339 7.678 ( 10.600 -1.043 7.533) 13.046 7.945 ( 11.639 1.190 4.091) 12.394 8.034 ( 19.019 -8.665 5.764) 21.680 8.748 ( 16.390 13.098 3.456) 21.263 8.874 ( -6.396 13.978 1.141) 15.414 9.093 ( 6.273 -19.135 0.152) 20.138 9.172 ( -7.571 -16.821 1.522) 18.509 10.351 ( 0.069 5.150 -6.492) 8.287 10.483 ( 2.064 -7.788 -4.512) 9.235 10.900 ( -6.615 7.095 3.261) 10.234 10.968 ( -3.234 -0.234 3.389) 4.690 11.174 ( -6.882 12.787 -4.480) 15.196 11.390 ( -5.800 -7.703 -7.300) 12.094 12.181 ( 4.863 4.679 -0.703) 6.785 12.290 ( 4.500 -6.598 -2.118) 8.263 12.651 ( -7.438 5.692 -5.089) 10.660 12.701 ( 5.654 0.411 -3.831) 6.842 12.895 ( 0.895 8.653 1.381) 8.808 13.077 ( -2.216 -9.919 -5.611) 11.610 13.381 ( 5.328 5.362 -8.978) 11.737 13.456 ( 8.530 -0.368 -9.622) 12.864 13.741 ( -1.430 -0.757 0.985) 1.894 13.812 ( -0.765 -8.183 8.581) 11.881 14.099 ( 6.965 0.386 11.203) 13.197 14.115 ( 13.928 -1.235 17.734) 22.584 14.944 ( 7.853 3.407 -6.166) 10.550 15.007 ( 15.104 -2.149 -0.232) 15.258 15.210 ( -11.274 2.920 -4.578) 12.513 15.293 ( -6.851 -5.776 -5.334) 10.428 15.635 ( -1.187 8.339 -9.368) 12.598 15.803 ( 6.182 -8.841 -4.499) 11.688 16.342 ( 8.049 36.000 5.017) 37.228 16.959 ( 7.294 -5.173 10.069) 13.467 17.203 ( 13.346 -16.733 9.302) 23.337 17.409 ( 12.805 -15.962 16.206) 26.103 17.692 ( -18.148 12.025 -4.218) 22.175 17.990 ( -10.815 -18.227 -0.286) 21.196 18.219 ( -8.506 8.093 -3.753) 12.326 18.415 ( -9.366 -11.597 -7.355) 16.622 18.754 ( -14.052 7.859 2.925) 16.364 18.917 ( -13.349 -8.685 2.485) 16.118 21.481 ( 5.213 15.980 -1.376) 16.865 21.652 ( 1.829 8.018 -2.823) 8.695 21.750 ( 0.198 -8.635 -3.309) 9.249 21.787 ( 0.865 -3.560 -1.662) 4.023 ======================= Grid point 93 (39/120) ======================= q-point: ( 0.33 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 7.805 15.005 3.436) 17.259 2.637 ( 6.303 9.152 2.047) 11.300 2.790 ( 4.030 -10.524 1.630) 11.387 2.951 ( 3.031 -15.724 6.234) 17.184 3.282 ( -5.545 0.864 -9.072) 10.668 3.327 ( -2.797 -3.175 -9.280) 10.199 3.563 ( -6.461 2.779 2.749) 7.551 3.632 ( -7.540 -4.652 5.264) 10.306 4.112 ( -4.129 5.378 -0.249) 6.785 4.206 ( -4.823 -3.956 0.179) 6.241 4.255 ( -4.956 4.243 -3.343) 7.331 4.328 ( -7.049 -2.898 -4.093) 8.651 7.352 ( 15.144 8.015 7.268) 18.612 7.485 ( 11.325 -4.941 12.903) 17.865 7.611 ( 5.203 14.000 6.934) 16.466 7.826 ( 3.780 -7.887 6.036) 10.627 8.192 ( 9.784 7.602 5.979) 13.758 8.375 ( 11.655 -10.478 5.479) 16.603 8.709 ( -8.659 6.833 0.637) 11.049 8.860 ( -13.464 -8.189 1.069) 15.796 9.204 ( 25.504 14.300 1.421) 29.274 9.541 ( 27.423 -17.923 -0.126) 32.760 10.379 ( 2.886 7.417 -5.328) 9.578 10.515 ( -2.390 -2.883 -7.391) 8.286 10.711 ( -5.884 7.591 0.072) 9.605 10.842 ( -9.078 -2.230 3.977) 10.159 11.091 ( -1.947 8.655 -3.887) 9.686 11.310 ( -3.880 -10.934 -7.490) 13.810 12.196 ( -4.350 8.300 -4.730) 10.497 12.354 ( 0.704 -8.066 -7.958) 11.353 12.458 ( -10.360 10.701 1.937) 15.019 12.670 ( -7.522 -9.786 -0.742) 12.365 12.982 ( 9.337 9.349 4.144) 13.847 13.132 ( 6.175 -4.965 -2.606) 8.341 13.476 ( 2.204 2.767 -8.286) 9.009 13.559 ( 3.340 -5.283 -10.884) 12.551 13.773 ( 4.014 1.389 -4.019) 5.848 13.789 ( 0.266 -2.603 4.845) 5.506 14.171 ( -0.868 5.241 6.161) 8.135 14.342 ( 4.676 -9.524 7.852) 13.199 14.909 ( -4.419 11.266 -3.838) 12.696 15.038 ( -2.785 -0.851 -6.576) 7.192 15.098 ( -5.954 5.094 -8.699) 11.708 15.267 ( 0.192 -12.394 0.437) 12.403 15.924 ( 25.323 15.980 -2.127) 30.019 16.174 ( 26.866 -9.934 0.959) 28.660 16.559 ( 13.306 29.526 10.309) 33.987 17.104 ( 7.173 -12.824 7.435) 16.468 17.309 ( -16.228 12.328 -6.166) 21.292 17.491 ( 11.422 -5.789 9.979) 16.234 17.629 ( 5.224 -14.378 11.961) 19.419 17.752 ( -8.108 -22.742 3.161) 24.351 18.047 ( -9.138 1.992 0.315) 9.358 18.146 ( -16.275 -7.661 -7.217) 19.381 18.397 ( -18.336 8.283 10.304) 22.605 18.569 ( -18.841 -9.324 9.780) 23.186 21.600 ( 5.778 10.214 -5.125) 12.805 21.695 ( 2.107 6.363 -5.671) 8.780 21.756 ( 0.276 -2.929 -6.093) 6.766 21.797 ( -0.081 -1.866 -4.063) 4.472 ======================= Grid point 94 (40/120) ======================= q-point: ( 0.44 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( 7.863 8.729 2.052) 11.926 2.721 ( 0.251 5.803 1.712) 6.056 2.847 ( 2.614 -10.261 -1.867) 10.752 2.939 ( -4.589 -13.922 -0.747) 14.677 3.265 ( 4.909 3.841 -1.612) 6.439 3.334 ( 1.935 -1.686 -0.246) 2.578 3.431 ( -5.431 -0.912 0.181) 5.510 3.474 ( -7.032 -4.361 3.867) 9.133 4.066 ( 0.455 4.582 -1.279) 4.779 4.131 ( -4.620 2.714 -2.191) 5.789 4.150 ( -1.224 -2.623 -0.932) 3.041 4.198 ( -4.833 -2.631 -2.818) 6.182 7.620 ( 8.746 8.479 8.665) 14.949 7.656 ( 4.418 5.691 11.473) 13.547 7.744 ( 6.239 0.110 13.276) 14.669 7.844 ( -2.365 -6.829 9.145) 11.655 8.349 ( 6.586 7.055 4.394) 10.605 8.502 ( -4.426 -0.513 1.170) 4.607 8.542 ( -0.471 -6.052 4.055) 7.300 8.636 ( -7.306 -7.532 1.461) 10.594 9.760 ( 25.830 19.423 -6.459) 32.957 10.102 ( 20.736 -11.840 -7.313) 24.973 10.241 ( -16.378 14.192 -11.558) 24.561 10.434 ( -6.144 -1.901 -7.857) 10.154 10.735 ( 6.801 1.340 3.226) 7.645 10.813 ( 10.766 -5.705 3.458) 12.666 10.992 ( -9.035 1.479 -3.534) 9.814 11.120 ( -14.866 -8.934 -2.620) 17.541 12.115 ( -0.005 14.528 -1.866) 14.648 12.226 ( -9.436 14.934 3.521) 18.013 12.379 ( 2.582 -12.925 -5.430) 14.255 12.496 ( -7.931 -12.978 -0.249) 15.211 13.221 ( 11.245 5.216 1.425) 12.478 13.282 ( 6.391 1.551 -2.160) 6.922 13.466 ( -2.222 -2.306 -2.176) 3.871 13.524 ( -6.683 -8.822 1.699) 11.197 13.862 ( 6.642 7.488 -8.251) 12.972 13.937 ( 7.883 0.121 -8.329) 11.469 14.080 ( -3.137 2.824 -3.858) 5.719 14.264 ( -10.658 -12.825 -7.531) 18.297 14.892 ( 1.424 16.866 -2.537) 17.115 14.947 ( -3.470 9.726 -3.522) 10.911 15.109 ( 4.555 -3.644 6.133) 8.464 15.213 ( -4.377 -12.557 5.942) 14.565 16.451 ( 21.453 24.710 -10.460) 34.355 16.687 ( 9.710 9.581 -5.956) 14.885 16.922 ( 20.229 9.481 13.483) 26.094 17.054 ( 0.134 -5.404 -6.467) 8.429 17.268 ( 7.802 -7.515 7.550) 13.204 17.461 ( -6.512 -22.813 0.002) 23.724 17.555 ( -18.152 2.210 10.893) 21.284 17.682 ( -17.192 -9.059 9.050) 21.437 17.883 ( 8.029 -4.468 5.135) 10.526 17.944 ( 4.386 -7.113 8.761) 12.107 18.097 ( -9.781 0.480 10.931) 14.676 18.186 ( -16.939 -8.564 10.582) 21.732 21.708 ( 4.237 5.008 -6.511) 9.242 21.734 ( 1.484 4.507 -7.149) 8.581 21.755 ( -0.429 1.293 -7.409) 7.534 21.777 ( -1.964 0.769 -5.889) 6.255 ======================= Grid point 126 (41/120) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 0.000 0.000 33.189) 33.189 1.587 ( 0.000 0.000 36.981) 36.981 2.436 ( 0.000 0.000 48.971) 48.971 3.100 ( 0.000 0.000 3.926) 3.926 3.134 ( 0.000 0.000 -14.369) 14.369 3.312 ( 0.000 0.000 2.691) 2.691 3.846 ( 0.000 0.000 -1.081) 1.081 3.940 ( 0.000 0.000 -1.702) 1.702 4.226 ( 0.000 0.000 -9.704) 9.704 4.228 ( 0.000 0.000 -5.358) 5.358 4.701 ( 0.000 0.000 -2.232) 2.232 4.762 ( 0.000 0.000 -19.555) 19.555 6.419 ( 0.000 0.000 8.303) 8.303 6.993 ( 0.000 0.000 10.410) 10.410 7.418 ( 0.000 0.000 8.718) 8.718 7.613 ( 0.000 0.000 -5.565) 5.565 8.005 ( 0.000 0.000 10.940) 10.940 8.141 ( 0.000 0.000 34.051) 34.051 8.143 ( 0.000 0.000 0.227) 0.227 8.402 ( 0.000 0.000 4.843) 4.843 9.788 ( 0.000 0.000 -13.223) 13.223 9.897 ( 0.000 0.000 -21.508) 21.508 9.942 ( 0.000 0.000 -9.140) 9.140 10.435 ( 0.000 0.000 -10.132) 10.132 10.707 ( 0.000 0.000 9.935) 9.935 11.209 ( 0.000 0.000 -10.327) 10.327 11.308 ( 0.000 0.000 -1.124) 1.124 11.322 ( 0.000 0.000 4.226) 4.226 11.858 ( 0.000 0.000 -16.523) 16.523 12.321 ( 0.000 0.000 15.985) 15.985 12.444 ( 0.000 0.000 21.354) 21.354 12.627 ( 0.000 0.000 6.191) 6.191 12.747 ( 0.000 0.000 -0.226) 0.226 13.148 ( 0.000 0.000 -0.545) 0.545 13.345 ( 0.000 0.000 -10.226) 10.226 13.370 ( 0.000 0.000 14.624) 14.624 13.430 ( 0.000 0.000 14.429) 14.429 13.889 ( 0.000 0.000 -23.612) 23.612 14.037 ( 0.000 0.000 -7.596) 7.596 14.143 ( 0.000 0.000 -1.067) 1.067 14.528 ( 0.000 0.000 11.704) 11.704 14.935 ( 0.000 0.000 19.896) 19.896 15.140 ( 0.000 0.000 -19.611) 19.611 15.240 ( 0.000 0.000 -26.581) 26.581 15.330 ( 0.000 0.000 26.108) 26.108 15.409 ( 0.000 0.000 -4.486) 4.486 15.780 ( 0.000 0.000 -9.464) 9.464 16.901 ( 0.000 0.000 18.732) 18.732 17.698 ( 0.000 0.000 -35.531) 35.531 17.834 ( 0.000 0.000 22.456) 22.456 18.083 ( 0.000 0.000 -14.405) 14.405 18.555 ( 0.000 0.000 -11.489) 11.489 18.724 ( 0.000 0.000 0.631) 0.631 18.803 ( 0.000 0.000 2.888) 2.888 19.257 ( 0.000 0.000 -14.475) 14.475 19.342 ( 0.000 0.000 -3.414) 3.414 20.706 ( 0.000 0.000 26.015) 26.015 20.971 ( 0.000 0.000 5.539) 5.539 21.807 ( 0.000 0.000 1.615) 1.615 21.978 ( 0.000 0.000 -6.025) 6.025 ======================= Grid point 127 (42/120) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 7.888 0.000 27.847) 28.943 1.793 ( 18.027 0.000 30.248) 35.212 2.734 ( 23.789 0.000 43.495) 49.575 3.126 ( 2.336 0.000 3.856) 4.509 3.158 ( 2.468 0.000 -14.690) 14.896 3.269 ( -2.653 0.000 0.088) 2.654 3.761 ( -6.908 0.000 -3.095) 7.570 3.977 ( 2.152 0.000 -0.793) 2.294 4.178 ( -4.584 0.000 -5.353) 7.048 4.189 ( -3.103 0.000 -8.554) 9.099 4.646 ( -5.050 0.000 -0.818) 5.116 4.669 ( -8.558 0.000 -17.510) 19.489 6.473 ( 5.071 0.000 8.471) 9.873 6.755 ( -10.019 0.000 12.680) 16.161 7.518 ( 8.546 0.000 9.850) 13.041 7.717 ( 6.591 0.000 -5.670) 8.694 8.026 ( 4.170 0.000 21.930) 22.323 8.388 ( 20.879 0.000 19.526) 28.587 8.425 ( 7.696 0.000 4.660) 8.996 8.443 ( 12.994 0.000 1.308) 13.060 9.597 ( -10.214 0.000 -12.192) 15.905 9.771 ( -11.741 0.000 -17.453) 21.034 10.196 ( 14.862 0.000 -7.649) 16.715 10.357 ( -7.989 0.000 -9.959) 12.767 10.656 ( -2.592 0.000 5.410) 5.999 11.230 ( -3.513 0.000 3.821) 5.191 11.291 ( 5.298 0.000 -9.191) 10.608 11.383 ( 1.545 0.000 1.902) 2.450 11.909 ( 3.793 0.000 -14.204) 14.702 12.244 ( -6.472 0.000 14.631) 15.998 12.285 ( -9.327 0.000 13.830) 16.681 12.573 ( -2.633 0.000 3.493) 4.375 12.789 ( 3.053 0.000 -1.877) 3.584 13.062 ( -5.420 0.000 -3.555) 6.482 13.179 ( -6.711 0.000 3.245) 7.454 13.562 ( 7.271 0.000 6.145) 9.520 13.652 ( -6.378 0.000 -8.284) 10.455 13.773 ( 20.374 0.000 3.869) 20.738 14.167 ( 6.170 0.000 -11.595) 13.135 14.196 ( 2.890 0.000 -7.067) 7.635 14.413 ( -9.263 0.000 7.387) 11.847 15.054 ( -4.773 0.000 -15.220) 15.951 15.161 ( 19.304 0.000 23.479) 30.396 15.182 ( -7.095 0.000 -19.826) 21.057 15.464 ( 4.192 0.000 -1.676) 4.514 15.473 ( 6.011 0.000 16.268) 17.343 15.744 ( 2.993 0.000 -9.399) 9.864 16.822 ( -3.840 0.000 22.681) 23.004 17.333 ( -24.745 0.000 -29.999) 38.887 18.045 ( 16.076 0.000 20.683) 26.196 18.284 ( -9.116 0.000 3.901) 9.916 18.314 ( 11.696 0.000 -15.172) 19.157 18.824 ( 1.969 0.000 2.829) 3.446 19.051 ( 6.915 0.000 -9.538) 11.781 19.179 ( -1.821 0.000 -14.813) 14.925 19.337 ( -0.505 0.000 -2.943) 2.986 20.730 ( 2.608 0.000 21.851) 22.006 20.945 ( -2.247 0.000 3.014) 3.759 21.788 ( -1.828 0.000 0.475) 1.889 21.800 ( -14.219 0.000 -4.905) 15.041 ======================= Grid point 128 (43/120) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 14.336 0.000 14.686) 20.523 2.248 ( 23.506 0.000 18.903) 30.164 3.062 ( 2.030 0.000 18.909) 19.017 3.188 ( 3.301 0.000 3.715) 4.970 3.195 ( 1.416 0.000 -12.475) 12.555 3.391 ( 9.647 0.000 1.787) 9.811 3.656 ( 2.858 0.000 -0.648) 2.930 3.984 ( -1.275 0.000 -0.536) 1.383 4.053 ( -6.807 0.000 -5.334) 8.648 4.104 ( -5.086 0.000 -5.917) 7.802 4.431 ( -13.363 0.000 -13.239) 18.810 4.529 ( -4.768 0.000 3.622) 5.988 6.626 ( 9.511 0.000 8.527) 12.774 6.753 ( 9.345 0.000 7.680) 12.096 7.705 ( 7.507 0.000 12.440) 14.529 7.876 ( 8.384 0.000 -3.808) 9.209 8.190 ( 10.937 0.000 22.703) 25.200 8.518 ( 5.739 0.000 6.504) 8.674 8.715 ( 9.497 0.000 7.662) 12.202 8.953 ( 31.771 0.000 9.628) 33.198 9.408 ( -7.958 0.000 -9.743) 12.579 9.447 ( -17.768 0.000 -8.242) 19.586 10.029 ( -20.383 0.000 -12.303) 23.809 10.507 ( 11.024 0.000 -0.553) 11.037 10.654 ( 2.647 0.000 -0.245) 2.658 11.167 ( -2.034 0.000 8.889) 9.118 11.304 ( -10.241 0.000 10.826) 14.903 11.351 ( -0.318 0.000 -9.014) 9.020 11.991 ( 5.080 0.000 -10.655) 11.804 12.050 ( -13.294 0.000 8.062) 15.547 12.275 ( 8.427 0.000 -1.819) 8.621 12.602 ( 5.679 0.000 -8.545) 10.260 12.841 ( 1.409 0.000 -6.807) 6.952 12.943 ( -5.148 0.000 -11.971) 13.031 13.060 ( -4.601 0.000 4.015) 6.107 13.367 ( -7.033 0.000 -8.261) 10.849 13.971 ( 14.873 0.000 14.213) 20.572 14.073 ( 2.800 0.000 -11.191) 11.536 14.194 ( -7.698 0.000 6.247) 9.913 14.310 ( 12.422 0.000 4.070) 13.072 14.322 ( 9.898 0.000 -10.579) 14.488 14.848 ( -22.458 0.000 -17.875) 28.704 14.943 ( -6.881 0.000 -22.737) 23.755 15.529 ( 2.017 0.000 6.589) 6.891 15.589 ( 7.275 0.000 25.233) 26.261 15.676 ( 28.001 0.000 23.339) 36.452 16.001 ( 17.710 0.000 -8.056) 19.456 16.791 ( -26.294 0.000 -26.718) 37.486 16.861 ( 9.293 0.000 22.762) 24.586 18.207 ( 2.293 0.000 9.185) 9.467 18.391 ( 13.421 0.000 20.610) 24.594 18.424 ( -2.451 0.000 -5.899) 6.387 18.818 ( -18.025 0.000 -10.090) 20.657 18.884 ( 3.898 0.000 3.343) 5.135 19.240 ( -3.336 0.000 -4.210) 5.371 19.318 ( -1.439 0.000 -1.520) 2.093 20.833 ( 7.423 0.000 10.670) 12.998 20.898 ( -1.630 0.000 -4.140) 4.449 21.499 ( -13.096 0.000 -9.906) 16.420 21.730 ( -3.750 0.000 -2.435) 4.471 ======================= Grid point 129 (44/120) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 17.904 0.000 2.165) 18.034 2.710 ( 19.668 0.000 10.412) 22.254 3.004 ( -5.901 0.000 -1.038) 5.992 3.236 ( 0.937 0.000 -6.971) 7.034 3.243 ( 1.358 0.000 3.681) 3.923 3.363 ( -4.229 0.000 -6.647) 7.878 3.716 ( -4.387 0.000 -1.939) 4.797 3.920 ( -5.202 0.000 -5.408) 7.504 3.975 ( -7.112 0.000 -5.439) 8.953 4.114 ( 13.193 0.000 12.540) 18.202 4.151 ( -12.460 0.000 -9.522) 15.682 4.471 ( -1.430 0.000 8.186) 8.310 6.874 ( 14.328 0.000 7.781) 16.305 7.097 ( 22.186 0.000 2.607) 22.338 7.768 ( -2.661 0.000 11.315) 11.624 8.034 ( 5.391 0.000 -1.786) 5.679 8.439 ( 11.820 0.000 20.736) 23.868 8.670 ( 8.193 0.000 10.754) 13.519 8.871 ( 5.058 0.000 7.469) 9.020 9.088 ( -14.840 0.000 4.484) 15.502 9.266 ( -5.511 0.000 -5.844) 8.033 9.565 ( -21.251 0.000 -15.185) 26.118 9.662 ( 34.497 0.000 0.902) 34.508 10.616 ( -0.153 0.000 7.218) 7.219 10.763 ( 7.632 0.000 -3.200) 8.275 11.008 ( -14.346 0.000 15.361) 21.018 11.231 ( 7.571 0.000 9.832) 12.409 11.274 ( -7.151 0.000 -8.922) 11.433 11.657 ( -23.334 0.000 -4.610) 23.785 12.023 ( -5.192 0.000 -4.053) 6.587 12.555 ( 16.171 0.000 -7.279) 17.733 12.779 ( 10.362 0.000 -18.021) 20.788 12.844 ( 0.527 0.000 -11.839) 11.851 12.910 ( 0.839 0.000 -7.313) 7.361 13.036 ( 3.669 0.000 -3.727) 5.230 13.307 ( 0.270 0.000 -1.254) 1.283 13.847 ( -14.067 0.000 -2.541) 14.294 14.046 ( -1.435 0.000 -17.543) 17.602 14.287 ( -25.109 0.000 -16.987) 30.316 14.411 ( 16.506 0.000 14.686) 22.093 14.521 ( -4.129 0.000 -7.344) 8.425 14.626 ( 17.675 0.000 -6.087) 18.694 14.901 ( 7.882 0.000 0.583) 7.903 15.510 ( -3.358 0.000 9.171) 9.767 15.646 ( -3.519 0.000 24.708) 24.957 16.199 ( -10.979 0.000 -9.094) 14.256 16.379 ( 19.423 0.000 11.086) 22.364 16.474 ( 27.438 0.000 -4.945) 27.880 17.215 ( 22.865 0.000 16.956) 28.466 18.204 ( -17.909 0.000 5.773) 18.817 18.318 ( 7.543 0.000 13.186) 15.191 18.347 ( -22.267 0.000 -8.320) 23.771 18.617 ( 3.453 0.000 22.172) 22.440 18.983 ( 5.253 0.000 3.405) 6.260 19.000 ( -18.270 0.000 5.816) 19.174 19.272 ( -3.007 0.000 0.329) 3.025 20.896 ( 1.741 0.000 -12.386) 12.508 21.032 ( 11.083 0.000 -0.799) 11.112 21.268 ( -9.168 0.000 -16.446) 18.828 21.629 ( -6.017 0.000 -5.781) 8.345 ======================= Grid point 130 (45/120) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 19.104 0.000 -5.655) 19.924 2.787 ( -15.109 0.000 -8.150) 17.167 3.044 ( 12.118 0.000 5.721) 13.401 3.217 ( -4.472 0.000 4.023) 6.015 3.239 ( 0.896 0.000 -3.307) 3.426 3.289 ( -3.428 0.000 -7.610) 8.346 3.689 ( 3.467 0.000 -2.939) 4.545 3.817 ( -7.550 0.000 -4.197) 8.638 3.864 ( 0.314 0.000 -5.865) 5.873 3.942 ( -7.094 0.000 -7.132) 10.059 4.332 ( 7.159 0.000 12.999) 14.841 4.433 ( -2.877 0.000 11.183) 11.547 7.217 ( 17.878 0.000 6.374) 18.981 7.576 ( -14.850 0.000 6.835) 16.347 7.611 ( 24.883 0.000 1.147) 24.909 8.012 ( -10.239 0.000 1.441) 10.340 8.661 ( 9.376 0.000 20.004) 22.092 8.800 ( 3.536 0.000 5.134) 6.233 8.845 ( -9.092 0.000 16.099) 18.489 8.880 ( -4.092 0.000 0.866) 4.183 9.193 ( 0.980 0.000 -8.871) 8.925 9.284 ( -6.152 0.000 -2.574) 6.669 10.362 ( 32.020 0.000 -7.491) 32.885 10.606 ( 1.875 0.000 12.389) 12.530 10.739 ( -10.419 0.000 15.233) 18.455 10.960 ( 8.005 0.000 -5.475) 9.698 10.976 ( -21.601 0.000 -10.588) 24.056 11.214 ( -14.791 0.000 -5.377) 15.738 11.471 ( 14.211 0.000 8.900) 16.768 11.789 ( -15.039 0.000 5.352) 15.963 12.840 ( 9.732 0.000 -15.425) 18.239 12.884 ( 2.502 0.000 -7.995) 8.378 12.920 ( -0.539 0.000 -7.415) 7.434 12.938 ( 1.398 0.000 -20.235) 20.283 13.267 ( 19.084 0.000 -10.377) 21.723 13.369 ( 5.987 0.000 -1.220) 6.110 13.563 ( -12.186 0.000 -2.270) 12.395 13.746 ( -25.244 0.000 -13.629) 28.688 14.094 ( 6.866 0.000 -17.736) 19.019 14.312 ( -12.421 0.000 -18.499) 22.283 14.749 ( 14.834 0.000 7.235) 16.505 14.909 ( 4.073 0.000 1.757) 4.436 15.182 ( 15.176 0.000 18.735) 24.110 15.470 ( 4.171 0.000 2.427) 4.826 15.473 ( -11.920 0.000 22.485) 25.449 15.757 ( -20.102 0.000 -13.300) 24.104 17.051 ( 33.532 0.000 20.595) 39.351 17.088 ( 29.718 0.000 -5.221) 30.174 17.587 ( -5.702 0.000 1.653) 5.937 17.710 ( -28.534 0.000 14.815) 32.151 17.993 ( 6.312 0.000 4.850) 7.960 18.427 ( -12.841 0.000 16.554) 20.950 18.540 ( -2.374 0.000 14.149) 14.347 18.657 ( -6.742 0.000 19.049) 20.207 19.094 ( 5.173 0.000 2.804) 5.884 19.194 ( -4.348 0.000 1.768) 4.693 20.971 ( 5.156 0.000 -17.526) 18.268 21.101 ( -7.111 0.000 -18.872) 20.167 21.268 ( 10.992 0.000 -6.854) 12.954 21.476 ( -8.687 0.000 -7.862) 11.716 ======================= Grid point 135 (46/120) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 0.000 19.647 27.039) 33.423 1.591 ( 0.000 4.798 32.656) 33.007 2.739 ( 0.000 25.460 38.247) 45.947 3.040 ( 0.000 -5.466 -7.375) 9.180 3.197 ( 0.000 5.452 -2.722) 6.094 3.271 ( 0.000 -4.338 3.403) 5.514 3.830 ( 0.000 -1.450 -1.889) 2.381 3.968 ( 0.000 2.865 -2.389) 3.730 4.081 ( 0.000 -7.040 -10.346) 12.514 4.297 ( 0.000 -0.031 -3.970) 3.970 4.659 ( 0.000 -4.199 -2.544) 4.910 4.719 ( 0.000 -4.355 -18.723) 19.223 6.583 ( 0.000 14.545 7.062) 16.169 7.006 ( 0.000 1.422 10.585) 10.680 7.441 ( 0.000 2.161 8.472) 8.743 7.543 ( 0.000 -5.732 -2.427) 6.224 7.987 ( 0.000 -2.756 10.245) 10.609 8.059 ( 0.000 -4.429 1.788) 4.777 8.101 ( 0.000 -4.327 32.589) 32.875 8.478 ( 0.000 7.770 4.955) 9.216 9.627 ( 0.000 -12.413 -15.555) 19.900 9.985 ( 0.000 4.010 -9.425) 10.242 10.053 ( 0.000 10.721 -17.980) 20.934 10.257 ( 0.000 -16.051 -8.427) 18.129 10.756 ( 0.000 4.075 7.432) 8.476 11.222 ( 0.000 -6.273 9.347) 11.257 11.256 ( 0.000 1.370 -11.204) 11.287 11.303 ( 0.000 1.310 2.208) 2.567 11.872 ( 0.000 2.009 -16.672) 16.793 12.416 ( 0.000 -0.291 17.556) 17.559 12.499 ( 0.000 14.069 15.248) 20.747 12.619 ( 0.000 0.480 5.788) 5.808 12.840 ( 0.000 5.188 3.023) 6.005 13.072 ( 0.000 -5.868 -3.414) 6.789 13.258 ( 0.000 -5.675 9.494) 11.061 13.428 ( 0.000 3.413 -11.548) 12.042 13.574 ( 0.000 8.490 16.650) 18.690 13.887 ( 0.000 -0.611 -18.147) 18.158 13.939 ( 0.000 -8.798 -8.856) 12.484 14.067 ( 0.000 -3.166 -2.771) 4.208 14.715 ( 0.000 13.641 13.471) 19.171 14.932 ( 0.000 0.273 21.863) 21.865 15.141 ( 0.000 -1.953 -28.730) 28.797 15.273 ( 0.000 -3.139 3.088) 4.403 15.312 ( 0.000 8.133 -17.279) 19.097 15.409 ( 0.000 1.850 11.227) 11.379 15.882 ( 0.000 7.547 -8.313) 11.228 16.877 ( 0.000 -1.867 19.886) 19.973 17.696 ( 0.000 -3.707 -10.038) 10.700 17.793 ( 0.000 -1.274 -1.196) 1.748 18.107 ( 0.000 2.486 -14.242) 14.458 18.513 ( 0.000 -10.954 -6.469) 12.722 18.577 ( 0.000 -13.985 -1.485) 14.063 18.585 ( 0.000 -12.678 9.914) 16.094 19.152 ( 0.000 -9.503 -11.318) 14.779 19.194 ( 0.000 -11.221 -8.573) 14.122 20.849 ( 0.000 13.440 21.670) 25.500 21.122 ( 0.000 13.537 4.738) 14.342 21.816 ( 0.000 0.842 1.470) 1.694 22.024 ( 0.000 2.165 -6.670) 7.013 ======================= Grid point 136 (47/120) ======================= q-point: ( 0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 6.515 18.061 22.899) 29.883 1.791 ( 16.938 2.938 28.362) 33.165 2.963 ( 16.380 17.970 31.353) 39.676 3.068 ( 3.349 -3.466 -2.739) 5.544 3.180 ( -0.607 0.020 -5.487) 5.520 3.265 ( 0.757 0.485 1.400) 1.663 3.759 ( -6.224 -0.207 -3.582) 7.184 3.986 ( 1.120 1.315 -1.645) 2.385 4.048 ( -3.152 -6.693 -9.300) 11.884 4.249 ( -4.132 0.110 -3.885) 5.673 4.605 ( -4.919 -3.877 -1.527) 6.447 4.638 ( -7.398 -3.241 -16.553) 18.418 6.636 ( 5.018 13.561 7.728) 16.395 6.819 ( -8.165 7.946 10.372) 15.407 7.536 ( 8.755 1.745 10.022) 13.421 7.689 ( 8.981 -3.359 -1.976) 9.790 7.966 ( 2.212 -4.714 19.304) 19.993 8.278 ( 17.876 -11.728 8.032) 22.839 8.384 ( 19.372 -1.975 15.843) 25.103 8.498 ( 1.931 6.959 4.671) 8.601 9.544 ( -5.533 -6.168 -12.372) 14.890 9.794 ( -15.416 0.279 -13.563) 20.535 10.179 ( 10.576 -3.717 -7.824) 13.670 10.331 ( 1.156 2.245 -10.457) 10.758 10.743 ( -1.293 6.606 3.764) 7.712 11.016 ( -9.630 -11.688 0.853) 15.168 11.315 ( 1.939 -3.077 1.795) 4.056 11.412 ( 4.653 1.834 -1.063) 5.113 11.929 ( 3.931 2.465 -12.898) 13.707 12.286 ( -6.688 3.852 9.214) 12.019 12.430 ( -6.834 12.014 12.880) 18.893 12.555 ( -3.852 -0.855 4.163) 5.736 12.853 ( 0.301 3.275 0.786) 3.382 13.042 ( -1.811 -0.103 -5.865) 6.139 13.208 ( -5.531 0.937 2.015) 5.961 13.475 ( 2.344 -9.051 -0.879) 9.391 13.684 ( -1.193 3.664 -10.009) 10.725 13.851 ( 17.266 6.321 10.713) 21.280 14.027 ( 1.637 -3.637 -2.751) 4.845 14.200 ( 7.428 -4.724 -10.767) 13.908 14.618 ( -4.517 14.899 6.701) 16.950 15.019 ( -4.154 -2.819 -7.105) 8.700 15.148 ( 3.270 -2.997 -2.848) 5.271 15.222 ( 6.395 3.535 0.764) 7.346 15.348 ( -4.159 -1.552 -10.674) 11.560 15.535 ( 10.925 2.759 15.548) 19.201 15.854 ( 1.554 7.137 -5.563) 9.181 16.827 ( -1.838 1.327 22.547) 22.661 17.394 ( -22.801 5.894 -27.707) 36.363 17.964 ( 16.102 -8.619 19.737) 26.891 18.267 ( -6.925 -0.987 1.780) 7.217 18.335 ( 9.972 0.530 -11.779) 15.442 18.571 ( 1.364 -22.560 2.619) 22.752 18.896 ( 10.408 -17.929 -1.436) 20.781 19.052 ( -8.373 -10.334 -10.181) 16.749 19.206 ( 0.914 -8.061 -9.322) 12.357 20.865 ( 1.784 12.691 18.089) 22.169 21.100 ( -1.840 13.877 2.424) 14.206 21.795 ( -2.295 1.060 -0.070) 2.529 21.877 ( -11.750 4.621 -6.014) 13.985 ======================= Grid point 137 (48/120) ======================= q-point: ( 0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 11.563 14.051 13.309) 22.545 2.218 ( 22.035 -1.112 19.623) 29.527 3.073 ( -1.799 -4.866 -1.054) 5.294 3.125 ( 2.831 1.550 5.342) 6.241 3.227 ( 0.502 -0.274 -7.258) 7.280 3.477 ( 11.033 7.405 8.691) 15.878 3.626 ( -2.430 -3.482 -1.665) 4.561 3.955 ( -5.308 -4.653 -2.954) 7.652 3.995 ( 0.493 1.118 -4.649) 4.807 4.143 ( -5.715 0.174 -3.229) 6.566 4.423 ( -11.870 -0.764 -11.413) 16.484 4.498 ( -4.796 -2.966 1.319) 5.791 6.800 ( 6.473 15.717 7.363) 18.524 6.811 ( 11.681 7.117 7.936) 15.814 7.731 ( 8.015 2.310 13.264) 15.668 7.886 ( 9.597 0.950 -2.104) 9.871 8.112 ( 10.946 -7.573 20.493) 24.436 8.547 ( 4.474 1.831 6.763) 8.313 8.617 ( 12.112 -7.081 8.560) 16.435 8.874 ( 25.577 -6.490 9.260) 27.965 9.432 ( -17.548 -0.463 -6.231) 18.627 9.463 ( -0.967 1.968 -6.627) 6.980 10.133 ( -18.138 10.901 -12.584) 24.621 10.398 ( 7.033 -8.639 -2.884) 11.507 10.742 ( 2.452 6.729 -1.064) 7.240 10.932 ( 1.321 -15.281 3.527) 15.738 11.256 ( -8.413 -4.174 10.165) 13.840 11.453 ( -1.011 1.878 -3.116) 3.776 12.000 ( 2.459 3.020 -7.156) 8.147 12.198 ( -11.474 11.344 2.151) 16.278 12.316 ( 5.973 3.509 -2.925) 7.520 12.555 ( 4.140 -3.429 -6.187) 8.196 12.838 ( -1.652 -2.389 -1.714) 3.373 12.967 ( -5.040 4.485 -17.166) 18.444 13.104 ( -1.867 3.279 2.028) 4.284 13.437 ( -1.313 5.169 -0.622) 5.369 13.891 ( 4.650 -9.062 1.227) 10.259 13.937 ( 5.392 -3.307 -2.375) 6.756 14.185 ( 0.164 -0.902 -6.861) 6.921 14.354 ( 13.295 7.031 12.404) 19.495 14.620 ( 4.582 16.749 -6.398) 18.505 14.882 ( -16.174 2.614 -15.608) 22.628 14.924 ( -8.553 0.345 -18.210) 20.121 15.244 ( -1.213 -14.540 5.749) 15.683 15.622 ( 18.028 -5.739 12.396) 22.619 15.805 ( 17.508 9.905 24.386) 31.612 16.040 ( 15.299 2.665 -1.358) 15.589 16.806 ( -11.557 4.558 -4.842) 13.334 16.979 ( -3.514 9.837 1.792) 10.598 18.192 ( 0.985 -1.450 7.381) 7.586 18.308 ( 13.499 -8.642 19.236) 25.039 18.451 ( -1.650 2.284 -5.976) 6.607 18.607 ( 2.866 -25.496 3.505) 25.895 18.742 ( -16.857 -7.167 -7.319) 19.725 19.030 ( -0.479 -25.628 0.801) 25.645 19.193 ( -3.716 -4.756 -3.792) 7.128 20.942 ( 5.892 10.524 8.234) 14.603 21.061 ( -1.375 14.364 -3.750) 14.909 21.598 ( -12.166 7.545 -10.391) 17.689 21.748 ( -3.631 1.539 -2.590) 4.718 ======================= Grid point 138 (49/120) ======================= q-point: ( 0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 15.259 8.625 2.992) 17.781 2.641 ( 16.803 -4.895 11.975) 21.206 3.017 ( -3.509 -1.057 -5.077) 6.261 3.161 ( -1.360 -3.405 2.549) 4.465 3.250 ( 2.555 -0.211 -10.700) 11.003 3.410 ( -5.906 0.432 -3.109) 6.688 3.676 ( -0.696 -4.236 0.702) 4.349 3.816 ( -7.358 -4.875 -1.624) 8.974 4.007 ( -5.929 0.145 -6.598) 8.872 4.112 ( 3.549 0.218 4.429) 5.680 4.188 ( -5.776 2.693 -3.857) 7.449 4.428 ( -2.355 -4.007 6.103) 7.671 7.000 ( 12.750 11.635 7.518) 18.827 7.182 ( 22.402 9.251 4.167) 24.592 7.811 ( -1.487 3.906 11.864) 12.579 8.062 ( 6.143 3.091 0.443) 6.891 8.367 ( 12.170 -7.196 19.268) 23.899 8.661 ( 6.089 -0.939 8.234) 10.284 8.825 ( 6.613 -4.265 9.859) 12.614 9.071 ( -12.245 -2.011 1.556) 12.507 9.210 ( 1.755 -4.514 1.747) 5.149 9.674 ( -21.950 11.329 -15.825) 29.335 9.727 ( 26.044 5.337 -0.916) 26.601 10.470 ( 0.360 -12.047 1.957) 12.210 10.828 ( 5.483 4.812 -3.182) 7.959 10.991 ( -6.072 -1.536 13.989) 15.327 11.068 ( 1.597 -8.752 4.439) 9.942 11.377 ( -6.934 0.516 -5.342) 8.768 11.760 ( -18.844 10.004 -4.472) 21.798 12.080 ( -5.939 5.966 -3.906) 9.281 12.513 ( 9.098 -5.533 -9.685) 14.394 12.713 ( 11.319 -2.030 -12.632) 17.082 12.816 ( 0.633 -5.358 -3.534) 6.450 12.925 ( 1.641 5.845 -11.549) 13.047 13.131 ( 3.822 6.765 -4.447) 8.953 13.444 ( 1.672 10.051 0.213) 10.191 13.776 ( -5.215 -5.356 -9.135) 11.804 14.059 ( -6.192 3.306 -9.366) 11.705 14.233 ( 5.277 -13.034 1.386) 14.130 14.313 ( -20.261 2.017 -11.999) 23.634 14.570 ( 1.927 3.346 -3.214) 5.024 14.852 ( 5.691 14.624 -12.120) 19.828 14.974 ( 16.708 9.962 10.138) 21.936 15.217 ( -2.362 -17.854 10.917) 21.060 15.767 ( -1.420 0.465 12.389) 12.478 16.274 ( -12.234 4.589 -12.468) 18.060 16.364 ( 30.044 3.132 19.211) 35.798 16.573 ( 17.685 8.910 -1.079) 19.832 17.242 ( 20.070 2.969 15.606) 25.597 18.185 ( -11.174 -3.012 7.091) 13.572 18.275 ( -20.772 -6.600 -6.652) 22.788 18.322 ( -1.269 0.685 9.260) 9.371 18.545 ( 2.204 -7.462 20.204) 21.651 18.707 ( 5.325 -23.938 4.575) 24.946 18.891 ( -13.147 -16.236 4.308) 21.331 19.080 ( -4.797 -12.947 3.114) 14.153 21.052 ( 1.584 13.538 -10.971) 17.497 21.113 ( 9.175 8.049 -2.233) 12.408 21.380 ( -8.627 9.208 -15.619) 20.079 21.653 ( -5.577 2.154 -5.961) 8.443 ======================= Grid point 139 (50/120) ======================= q-point: ( 0.44 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 17.002 3.804 -4.199) 17.921 2.770 ( -9.769 -2.006 -4.030) 10.756 2.979 ( 4.683 -3.691 0.635) 5.996 3.084 ( -4.583 -7.877 0.068) 9.113 3.308 ( 3.473 4.200 -3.637) 6.552 3.366 ( -0.766 1.452 -5.269) 5.519 3.652 ( -0.322 -2.758 -0.542) 2.829 3.693 ( -3.902 -8.479 -1.114) 9.401 3.913 ( -1.530 1.635 -5.590) 6.022 3.970 ( -6.461 2.467 -5.859) 9.064 4.292 ( 5.249 -3.639 9.745) 11.652 4.376 ( -3.030 -5.247 8.927) 10.789 7.313 ( 16.423 9.287 6.838) 20.067 7.619 ( -3.865 5.546 7.430) 10.045 7.717 ( 14.378 9.060 3.562) 17.364 8.063 ( -8.535 4.825 4.624) 10.840 8.588 ( 8.551 -6.356 17.332) 20.345 8.719 ( -3.152 -6.266 5.898) 9.165 8.844 ( 0.984 0.199 9.205) 9.260 8.935 ( -4.538 1.109 10.952) 11.906 9.222 ( 1.955 2.587 -5.290) 6.205 9.329 ( -8.890 6.564 -10.292) 15.101 10.299 ( 23.156 -4.284 -5.784) 24.249 10.474 ( 0.680 -9.546 5.212) 10.898 10.788 ( -3.654 2.883 9.169) 10.283 10.983 ( -0.780 -0.288 -4.472) 4.548 11.069 ( -11.096 6.637 -6.421) 14.436 11.148 ( -3.723 -5.701 -0.733) 6.848 11.590 ( 5.487 10.770 3.552) 12.598 11.840 ( -14.613 6.015 4.816) 16.520 12.666 ( 6.608 -11.985 -13.320) 19.098 12.779 ( -3.265 -9.492 -12.736) 16.216 12.956 ( 5.524 4.119 -6.759) 9.653 13.002 ( 2.333 3.870 -9.722) 10.721 13.285 ( 14.189 2.587 -9.495) 17.268 13.506 ( 2.235 9.121 -3.565) 10.045 13.710 ( -3.140 11.450 -5.879) 13.249 13.799 ( -18.948 5.179 -10.807) 22.420 14.002 ( 2.230 -4.825 -13.555) 14.560 14.179 ( -10.885 -10.078 -17.246) 22.748 14.731 ( 12.216 -7.228 12.182) 18.705 14.946 ( -5.144 -2.275 7.890) 9.690 15.221 ( 10.569 3.686 6.408) 12.897 15.329 ( 9.243 7.958 4.847) 13.125 15.665 ( -3.474 6.483 7.927) 10.814 15.875 ( -18.329 9.217 -9.758) 22.719 17.036 ( 31.680 0.943 13.242) 34.349 17.139 ( 29.655 3.362 4.900) 30.244 17.580 ( -7.823 -0.165 5.052) 9.314 17.745 ( -26.509 2.552 10.183) 28.511 17.909 ( 6.028 -7.806 6.508) 11.816 18.318 ( -14.150 -11.479 12.783) 22.257 18.497 ( -1.311 -4.419 13.982) 14.723 18.578 ( -5.732 -7.971 16.962) 19.598 18.872 ( 5.962 -19.944 4.997) 21.407 18.985 ( -4.807 -18.538 4.233) 19.613 21.112 ( 4.176 12.384 -16.188) 20.805 21.220 ( -5.777 10.280 -17.483) 21.088 21.326 ( 9.342 5.526 -7.617) 13.261 21.512 ( -7.932 3.370 -8.155) 11.865 ======================= Grid point 144 (51/120) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 0.000 18.709 17.616) 25.697 2.031 ( 0.000 25.461 17.421) 30.850 2.884 ( 0.000 -10.858 -7.386) 13.132 3.121 ( 0.000 -7.093 3.710) 8.004 3.245 ( 0.000 18.809 19.672) 27.217 3.331 ( 0.000 7.794 -2.037) 8.056 3.804 ( 0.000 -0.630 -2.924) 2.991 3.987 ( 0.000 -1.537 -10.667) 10.777 4.051 ( 0.000 5.022 -2.442) 5.584 4.242 ( 0.000 -4.219 -1.903) 4.628 4.548 ( 0.000 -7.080 -3.285) 7.805 4.597 ( 0.000 -8.192 -15.875) 17.864 6.866 ( 0.000 12.553 10.820) 16.573 7.050 ( 0.000 3.027 10.419) 10.849 7.487 ( 0.000 2.242 9.102) 9.374 7.494 ( 0.000 2.132 -2.921) 3.616 7.819 ( 0.000 -10.612 13.467) 17.146 7.973 ( 0.000 -8.640 27.533) 28.857 8.148 ( 0.000 11.068 1.307) 11.145 8.697 ( 0.000 14.631 4.279) 15.244 9.319 ( 0.000 -19.418 -11.001) 22.318 9.881 ( 0.000 -21.541 -4.794) 22.068 10.076 ( 0.000 4.572 -10.561) 11.509 10.213 ( 0.000 3.725 -13.927) 14.416 10.859 ( 0.000 8.092 -1.916) 8.316 11.199 ( 0.000 3.549 13.070) 13.543 11.238 ( 0.000 -1.765 -5.339) 5.623 11.341 ( 0.000 0.947 -0.072) 0.950 11.965 ( 0.000 8.531 -14.171) 16.541 12.454 ( 0.000 3.452 12.641) 13.104 12.562 ( 0.000 -1.551 10.003) 10.123 12.850 ( 0.000 15.460 12.798) 20.070 12.854 ( 0.000 -6.150 4.458) 7.596 12.978 ( 0.000 -1.535 -5.801) 6.000 13.184 ( 0.000 -1.368 2.432) 2.790 13.358 ( 0.000 -8.785 -9.879) 13.220 13.631 ( 0.000 -6.788 -4.854) 8.345 13.831 ( 0.000 -5.606 -9.209) 10.781 13.845 ( 0.000 4.551 11.467) 12.337 14.098 ( 0.000 4.020 0.075) 4.021 14.842 ( 0.000 -1.118 15.051) 15.092 14.932 ( 0.000 -1.563 12.280) 12.379 15.101 ( 0.000 -0.257 -18.417) 18.419 15.262 ( 0.000 -0.209 -8.903) 8.906 15.504 ( 0.000 10.716 -14.968) 18.408 15.630 ( 0.000 23.585 12.630) 26.753 15.976 ( 0.000 0.898 -8.817) 8.863 16.876 ( 0.000 3.338 21.512) 21.769 17.480 ( 0.000 -17.791 16.296) 24.127 17.736 ( 0.000 -14.141 -11.439) 18.189 18.116 ( 0.000 -10.929 -6.914) 12.932 18.172 ( 0.000 3.740 -14.697) 15.166 18.353 ( 0.000 -8.695 13.562) 16.110 18.490 ( 0.000 -3.610 -10.142) 10.765 18.952 ( 0.000 -9.800 -8.541) 13.000 18.994 ( 0.000 -9.208 -15.989) 18.451 21.166 ( 0.000 18.068 14.495) 23.163 21.410 ( 0.000 14.623 3.461) 15.026 21.826 ( 0.000 -0.319 1.454) 1.489 21.993 ( 0.000 -5.761 -3.336) 6.657 ======================= Grid point 145 (52/120) ======================= q-point: ( 0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 11.703 14.911 16.911) 25.402 2.069 ( 3.372 23.801 15.877) 28.809 2.909 ( 2.147 -10.276 -6.221) 12.203 3.101 ( -1.935 -8.057 0.860) 8.330 3.286 ( -0.965 6.821 2.440) 7.309 3.372 ( 7.596 11.482 11.165) 17.726 3.754 ( -4.988 0.153 -3.814) 6.281 3.967 ( -1.919 -1.018 -6.723) 7.066 4.042 ( -0.429 4.520 -3.539) 5.757 4.206 ( -3.079 -2.791 -2.191) 4.699 4.507 ( -3.632 -6.078 -2.496) 7.507 4.545 ( -4.841 -6.318 -14.337) 16.398 6.854 ( 1.091 9.858 13.091) 16.424 7.095 ( 3.751 16.125 2.973) 16.820 7.578 ( 10.014 2.524 9.910) 14.313 7.598 ( 7.486 -4.541 7.683) 11.649 7.885 ( 1.191 -4.386 12.496) 13.297 8.051 ( 15.280 -10.214 13.624) 22.879 8.378 ( 16.643 3.017 10.845) 20.093 8.697 ( -0.107 13.442 3.999) 14.025 9.330 ( 1.469 -16.106 -8.087) 18.082 9.690 ( -13.772 -11.976 -4.677) 18.841 10.116 ( 4.046 -0.187 -10.861) 11.592 10.390 ( 11.333 -1.689 -8.845) 14.475 10.843 ( -3.047 8.034 -2.616) 8.982 10.975 ( -14.109 6.361 0.621) 15.489 11.242 ( -2.248 -3.731 4.972) 6.610 11.410 ( 3.738 -1.831 -3.085) 5.181 12.005 ( 2.375 5.713 -7.925) 10.054 12.381 ( -4.265 4.643 6.659) 9.170 12.497 ( -2.970 -0.892 5.562) 6.368 12.700 ( -10.721 9.194 3.123) 14.464 12.835 ( -1.195 -3.198 1.804) 3.861 13.115 ( 2.964 5.343 -5.806) 8.429 13.188 ( -3.721 -1.187 -2.624) 4.705 13.254 ( 3.730 -11.127 -0.105) 11.736 13.708 ( 4.496 -2.697 -6.628) 8.451 13.979 ( 9.933 6.967 9.343) 15.314 14.034 ( 8.790 -5.884 -5.476) 11.911 14.103 ( 6.894 3.098 5.727) 9.483 14.775 ( -3.484 -0.055 -1.677) 3.867 14.998 ( 2.388 -2.729 17.159) 17.537 15.088 ( -2.424 1.830 -18.809) 19.053 15.257 ( 2.753 -0.412 -4.177) 5.020 15.430 ( -8.725 7.743 -14.303) 18.457 15.741 ( 10.282 21.200 15.290) 28.088 15.906 ( -2.128 -2.492 -1.833) 3.755 16.917 ( 4.550 8.606 21.060) 23.201 17.529 ( -15.331 6.161 -19.907) 25.870 17.678 ( 13.100 -23.258 12.927) 29.659 18.021 ( 0.485 -22.907 8.212) 24.339 18.263 ( -5.533 0.934 1.023) 5.703 18.374 ( 6.611 -5.997 -10.686) 13.923 18.520 ( 2.032 -13.412 -1.545) 13.653 18.867 ( -7.668 -7.691 -7.459) 13.175 19.059 ( 3.886 -7.582 -12.501) 15.128 21.165 ( 0.169 17.081 11.574) 20.633 21.393 ( -1.468 14.745 1.533) 14.897 21.809 ( -1.685 -0.154 0.051) 1.693 21.898 ( -7.977 -3.070 -4.417) 9.621 ======================= Grid point 146 (53/120) ======================= q-point: ( 0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 6.105 18.609 11.875) 22.904 2.273 ( 16.600 7.939 13.475) 22.807 2.945 ( 0.611 -8.276 -1.819) 8.496 3.097 ( 2.835 -5.333 -4.161) 7.334 3.219 ( -4.209 -0.267 -4.545) 6.201 3.481 ( -3.072 -8.269 1.159) 8.897 3.632 ( -3.445 5.017 1.196) 6.202 3.905 ( -4.522 -1.679 -1.032) 4.933 4.065 ( 2.880 5.898 -5.522) 8.577 4.124 ( -4.375 0.075 -0.319) 4.388 4.396 ( -8.050 -2.395 -6.669) 10.724 4.423 ( -4.896 -4.565 -4.144) 7.873 6.977 ( 10.860 11.264 10.131) 18.640 7.204 ( 7.425 22.042 4.305) 23.654 7.748 ( 7.964 -3.198 17.268) 19.283 7.887 ( 16.197 -3.517 10.235) 19.480 7.978 ( 7.286 -0.622 4.942) 8.826 8.417 ( 17.219 -9.100 12.843) 23.329 8.685 ( -1.088 8.875 3.382) 9.560 8.774 ( 19.655 -2.063 9.174) 21.789 9.343 ( -10.635 -8.231 -0.974) 13.483 9.457 ( 3.887 -5.765 -0.720) 6.990 10.203 ( 3.498 -5.124 -8.461) 10.492 10.480 ( -18.543 19.906 -9.261) 28.737 10.654 ( 6.226 -13.489 0.573) 14.868 10.879 ( 0.440 6.976 -3.263) 7.714 11.166 ( -5.507 -4.597 5.645) 9.128 11.406 ( -4.213 -5.770 -3.069) 7.776 12.068 ( 3.579 3.108 -5.317) 7.123 12.331 ( -3.131 -3.122 -4.648) 6.415 12.404 ( -10.609 8.331 -5.062) 14.407 12.558 ( 5.272 3.721 -4.084) 7.637 12.810 ( -1.750 1.601 -0.963) 2.560 13.024 ( -2.376 0.366 -10.403) 10.678 13.206 ( 1.892 6.824 0.928) 7.142 13.445 ( 8.147 -3.933 7.302) 11.626 13.743 ( -1.895 -4.963 -3.772) 6.516 14.013 ( 2.125 9.717 -5.807) 11.517 14.155 ( 1.506 -5.041 0.064) 5.262 14.430 ( 12.953 0.867 11.187) 17.137 14.732 ( -2.620 -2.104 -12.681) 13.119 14.925 ( -7.784 1.253 -9.040) 11.995 15.028 ( -2.806 1.763 -2.444) 4.117 15.200 ( -2.732 15.297 -4.889) 16.290 15.448 ( 10.137 -10.005 0.965) 14.275 16.021 ( 12.936 -5.160 7.977) 16.050 16.049 ( 19.118 17.165 20.893) 33.116 16.995 ( -4.061 13.824 1.965) 14.541 17.213 ( -5.963 13.992 -3.027) 15.508 17.950 ( 9.862 -33.365 5.932) 35.294 18.103 ( 5.429 -15.852 15.072) 22.537 18.165 ( -2.271 -5.097 0.732) 5.628 18.425 ( -1.154 -14.012 -2.622) 14.302 18.501 ( -6.002 -15.488 1.315) 16.663 18.666 ( -10.155 -0.286 -2.431) 10.445 19.070 ( -3.931 -7.519 -3.416) 9.146 21.193 ( 2.933 14.243 3.743) 15.015 21.359 ( -1.458 14.726 -3.544) 15.216 21.699 ( -8.762 1.856 -8.787) 12.547 21.771 ( -3.215 0.258 -2.946) 4.368 ======================= Grid point 147 (54/120) ======================= q-point: ( 0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 9.441 12.598 5.074) 16.541 2.589 ( 12.101 0.516 9.039) 15.113 2.946 ( -0.277 -4.960 -2.401) 5.518 3.126 ( -4.337 -1.270 -4.364) 6.282 3.219 ( 7.051 -3.467 -8.342) 11.460 3.300 ( -8.370 -10.792 -2.878) 13.957 3.591 ( -2.792 -2.551 3.480) 5.140 3.774 ( -7.534 -2.295 -0.691) 7.906 4.007 ( -4.922 1.797 -3.690) 6.409 4.136 ( -0.398 2.084 -0.228) 2.133 4.223 ( -5.744 0.752 -4.081) 7.086 4.335 ( -3.868 -5.322 1.744) 6.806 7.253 ( 13.820 13.844 7.610) 20.989 7.457 ( 17.481 17.482 7.983) 25.980 7.884 ( 3.210 2.359 14.537) 15.073 8.129 ( 6.638 -3.422 9.887) 12.390 8.209 ( 13.313 -1.085 9.819) 16.578 8.652 ( -1.426 0.903 2.883) 3.341 8.719 ( 9.695 -6.722 12.589) 17.253 9.017 ( -7.445 -3.169 1.416) 8.214 9.142 ( 6.386 -1.460 6.379) 9.144 9.758 ( 19.628 -3.443 -0.759) 19.942 10.002 ( -21.753 19.268 -14.430) 32.445 10.266 ( 2.969 -5.602 -3.199) 7.102 10.849 ( 9.327 -10.402 3.302) 14.356 10.910 ( 1.617 2.901 -5.539) 6.458 11.002 ( -8.838 -0.649 10.685) 13.882 11.293 ( -6.282 -7.803 -9.823) 14.030 11.951 ( -12.691 7.981 -7.014) 16.552 12.222 ( -2.798 5.771 -6.909) 9.427 12.373 ( -0.027 -4.988 -6.775) 8.414 12.679 ( 0.663 -4.161 -10.364) 11.188 12.824 ( 8.684 8.297 -0.125) 12.011 13.050 ( 3.516 6.092 -4.678) 8.447 13.263 ( 3.242 6.254 -4.227) 8.215 13.495 ( -0.417 -4.738 -2.618) 5.429 13.748 ( 3.289 -0.561 -1.628) 3.713 14.063 ( -2.296 -1.920 -8.453) 8.967 14.105 ( -5.389 -0.514 4.506) 7.044 14.451 ( -7.899 11.040 -6.809) 15.187 14.496 ( -9.875 -6.229 -14.876) 18.910 14.924 ( -5.180 -7.469 1.507) 9.214 15.080 ( 15.148 4.708 14.059) 21.196 15.352 ( 13.008 25.188 -7.347) 29.285 15.614 ( 4.986 -13.915 2.172) 14.940 16.320 ( 6.355 0.940 -3.014) 7.096 16.536 ( 26.809 12.067 23.871) 37.870 16.797 ( 0.134 13.747 -5.188) 14.694 17.340 ( 11.139 6.781 13.298) 18.625 18.045 ( -6.550 -13.142 1.652) 14.777 18.085 ( 2.429 -29.205 4.076) 29.588 18.136 ( -15.159 -7.968 -3.637) 17.507 18.335 ( 3.636 -11.055 17.240) 20.800 18.434 ( -8.287 -18.507 9.004) 22.187 18.448 ( -3.212 -2.021 9.035) 9.799 18.891 ( -12.336 -8.684 5.452) 16.041 21.289 ( 5.831 10.543 -5.072) 13.072 21.345 ( 0.493 13.616 -9.135) 16.404 21.538 ( -6.325 5.838 -13.511) 16.020 21.693 ( -4.439 1.396 -6.456) 7.958 ======================= Grid point 148 (55/120) ======================= q-point: ( 0.44 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 11.462 5.935 -0.543) 12.919 2.723 ( -0.963 -1.852 1.457) 2.546 2.924 ( -1.359 -3.813 -4.103) 5.763 2.965 ( -7.042 -3.656 -3.263) 8.579 3.297 ( 5.678 -5.415 -2.018) 8.102 3.363 ( 3.977 0.404 -5.878) 7.108 3.518 ( -1.903 -8.042 3.631) 9.026 3.612 ( -7.571 -3.098 0.713) 8.211 3.950 ( 0.214 3.011 -3.266) 4.447 4.020 ( -6.012 2.727 -4.055) 7.748 4.215 ( 1.398 -3.991 3.132) 5.263 4.260 ( -3.032 -6.070 3.827) 7.790 7.544 ( 13.933 13.858 8.465) 21.397 7.777 ( -2.546 9.953 11.470) 15.398 7.913 ( 12.568 9.741 8.728) 18.139 8.163 ( -5.372 3.765 13.032) 14.590 8.455 ( 9.837 -5.765 12.532) 16.943 8.601 ( -4.234 -5.333 5.815) 8.954 8.792 ( 1.255 -5.899 6.782) 9.076 8.880 ( -4.732 -6.875 10.882) 13.714 9.324 ( 9.249 9.532 -5.692) 14.450 9.566 ( -15.369 16.995 -15.698) 27.775 10.208 ( 16.382 -7.719 -6.404) 19.208 10.343 ( 2.680 -2.623 -1.422) 4.010 10.808 ( -3.981 -0.859 3.874) 5.620 10.892 ( -6.148 -6.613 -7.575) 11.786 11.044 ( 6.316 -5.463 3.368) 9.004 11.148 ( -5.583 0.359 -3.626) 6.667 11.825 ( 2.844 12.490 -1.418) 12.888 12.025 ( -13.266 11.970 2.594) 18.056 12.440 ( 6.461 -10.772 -11.081) 16.750 12.598 ( -7.093 -8.732 -9.719) 14.867 13.049 ( 7.213 6.055 -5.068) 10.695 13.108 ( 0.506 6.996 -3.805) 7.980 13.362 ( 10.907 4.466 -8.169) 14.340 13.624 ( 9.276 0.413 -6.686) 11.442 13.691 ( -11.315 -4.318 -12.095) 17.116 13.893 ( -9.976 -8.543 -7.205) 14.980 14.017 ( 2.395 9.197 1.840) 9.680 14.194 ( -12.003 8.179 -11.759) 18.688 14.567 ( 9.714 -2.749 4.309) 10.977 14.775 ( -9.065 -5.645 4.739) 11.683 15.380 ( 12.318 2.034 13.787) 18.600 15.549 ( -1.593 1.681 4.663) 5.206 15.756 ( 14.822 14.128 -8.148) 22.038 16.116 ( -17.168 17.896 -15.075) 29.022 17.117 ( 27.171 6.417 17.266) 32.826 17.172 ( 25.290 -2.313 5.214) 25.925 17.557 ( 1.904 -6.296 8.950) 11.107 17.700 ( -22.384 -2.651 -1.335) 22.580 17.834 ( -7.954 -1.869 12.583) 15.003 17.994 ( -11.840 -17.862 8.068) 22.898 18.328 ( 3.288 -15.269 9.274) 18.164 18.399 ( -1.389 -7.782 13.344) 15.510 18.478 ( 4.050 -16.845 16.006) 23.587 18.625 ( -10.996 -15.887 10.202) 21.849 21.362 ( 2.253 11.886 -14.093) 18.573 21.417 ( -0.481 8.779 -13.471) 16.087 21.455 ( 3.454 6.850 -10.810) 13.255 21.584 ( -6.022 3.337 -9.006) 11.336 ======================= Grid point 153 (56/120) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 0.000 21.391 4.906) 21.947 2.503 ( 0.000 22.144 10.251) 24.401 2.615 ( 0.000 -16.656 -2.693) 16.873 2.879 ( 0.000 -16.074 5.981) 17.151 3.462 ( 0.000 4.669 -5.949) 7.562 3.480 ( 0.000 3.900 -1.675) 4.245 3.836 ( 0.000 4.550 -0.449) 4.572 3.956 ( 0.000 -5.436 0.282) 5.444 4.175 ( 0.000 10.122 -6.368) 11.959 4.250 ( 0.000 6.047 -3.754) 7.117 4.394 ( 0.000 -9.077 -7.315) 11.658 4.407 ( 0.000 -10.673 -7.549) 13.072 7.054 ( 0.000 6.849 13.099) 14.781 7.104 ( 0.000 1.433 10.050) 10.151 7.519 ( 0.000 1.312 12.772) 12.840 7.557 ( 0.000 -0.219 3.310) 3.318 7.676 ( 0.000 -0.004 13.794) 13.794 7.792 ( 0.000 -8.950 16.628) 18.884 8.458 ( 0.000 20.376 0.660) 20.387 8.895 ( 0.000 -23.457 -3.452) 23.710 9.034 ( 0.000 19.847 2.177) 19.966 9.448 ( 0.000 -22.471 -1.155) 22.500 10.154 ( 0.000 3.395 -10.840) 11.359 10.210 ( 0.000 -2.323 -10.709) 10.958 11.053 ( 0.000 9.667 -10.366) 14.174 11.186 ( 0.000 -4.224 -8.951) 9.898 11.283 ( 0.000 3.815 10.778) 11.433 11.334 ( 0.000 -1.521 5.464) 5.672 12.225 ( 0.000 17.991 -8.942) 20.091 12.512 ( 0.000 1.472 10.522) 10.624 12.538 ( 0.000 -0.816 9.611) 9.645 12.604 ( 0.000 -17.769 -4.356) 18.295 12.999 ( 0.000 2.218 2.406) 3.273 13.018 ( 0.000 1.547 11.635) 11.738 13.224 ( 0.000 1.879 -5.607) 5.913 13.225 ( 0.000 -2.620 -9.665) 10.014 13.519 ( 0.000 1.563 -8.297) 8.443 13.676 ( 0.000 -9.964 -2.681) 10.318 13.993 ( 0.000 8.237 18.503) 20.254 14.116 ( 0.000 -3.232 11.881) 12.313 14.809 ( 0.000 0.199 0.776) 0.801 14.862 ( 0.000 -4.361 -5.266) 6.837 15.150 ( 0.000 4.250 0.594) 4.292 15.228 ( 0.000 -3.197 -0.858) 3.310 15.707 ( 0.000 10.000 -13.055) 16.445 15.879 ( 0.000 -6.917 -9.119) 11.446 16.254 ( 0.000 35.177 6.790) 35.826 16.958 ( 0.000 -35.045 8.699) 36.109 17.037 ( 0.000 12.873 19.668) 23.506 17.345 ( 0.000 -18.754 14.123) 23.477 18.124 ( 0.000 4.334 -14.929) 15.545 18.193 ( 0.000 -2.438 -10.100) 10.390 18.311 ( 0.000 3.963 -0.097) 3.964 18.407 ( 0.000 -4.946 -7.394) 8.896 18.818 ( 0.000 -3.018 -11.504) 11.893 18.846 ( 0.000 -5.382 -16.579) 17.431 21.513 ( 0.000 17.042 8.036) 18.842 21.652 ( 0.000 9.955 2.468) 10.257 21.781 ( 0.000 -5.820 1.940) 6.135 21.814 ( 0.000 -11.290 2.000) 11.466 ======================= Grid point 154 (57/120) ======================= q-point: ( 0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 6.073 19.081 5.977) 20.897 2.515 ( 0.878 21.051 9.049) 22.931 2.654 ( 3.749 -15.697 -1.676) 16.226 2.875 ( -0.049 -15.265 4.533) 15.924 3.389 ( -5.908 4.758 -5.715) 9.498 3.461 ( -3.307 -1.738 -3.662) 5.231 3.804 ( -2.975 5.142 -0.087) 5.941 3.922 ( -3.156 -5.669 0.927) 6.554 4.185 ( 1.028 10.480 -7.009) 12.650 4.236 ( -1.404 5.835 -3.083) 6.748 4.375 ( -1.981 -7.444 -4.507) 8.925 4.394 ( -1.423 -9.230 -9.095) 13.036 7.062 ( 3.776 11.411 14.086) 18.518 7.238 ( 9.885 -3.648 9.725) 14.339 7.578 ( 2.232 3.235 6.511) 7.606 7.625 ( 8.003 0.754 6.350) 10.244 7.809 ( 9.832 -0.709 12.174) 15.664 7.890 ( 12.349 -7.051 17.125) 22.260 8.564 ( 9.939 16.283 4.502) 19.601 8.951 ( 5.724 -21.567 -0.653) 22.323 9.007 ( -2.748 18.090 2.440) 18.459 9.374 ( -6.690 -18.935 -0.222) 20.083 10.168 ( 1.700 4.802 -9.843) 11.083 10.283 ( 5.705 -6.736 -7.678) 11.700 11.050 ( -1.172 7.929 -6.963) 10.617 11.114 ( -5.508 4.287 -8.055) 10.659 11.198 ( -8.511 2.675 7.673) 11.767 11.337 ( -0.446 -6.114 -2.105) 6.481 12.168 ( -4.067 11.139 -3.401) 12.336 12.374 ( -9.141 -6.933 4.989) 12.510 12.525 ( 1.460 3.873 2.713) 4.948 12.640 ( -0.244 -8.252 -2.369) 8.589 12.924 ( -5.357 7.355 -0.840) 9.138 13.049 ( -6.149 -6.328 -9.005) 12.607 13.182 ( 6.226 2.425 0.984) 6.754 13.243 ( 6.271 0.009 2.874) 6.899 13.677 ( 8.035 3.568 -3.484) 9.456 13.844 ( 9.600 -10.842 -1.666) 14.577 14.107 ( 8.378 5.780 12.632) 16.222 14.173 ( 7.029 0.116 12.036) 13.939 14.770 ( -2.439 2.307 -7.415) 8.139 14.874 ( 1.319 -7.317 -2.760) 7.931 15.178 ( 0.851 4.398 -0.141) 4.482 15.236 ( -0.521 -1.741 -3.168) 3.653 15.595 ( -7.584 9.154 -7.243) 13.921 15.777 ( -5.076 -9.061 -0.982) 10.432 16.316 ( 6.169 35.232 8.346) 36.729 17.016 ( 4.393 -29.594 7.960) 30.959 17.186 ( 12.250 6.759 17.193) 22.166 17.459 ( 9.063 -13.697 11.342) 19.959 17.890 ( -14.352 7.700 -10.655) 19.463 18.116 ( -9.096 -14.119 -10.627) 19.875 18.314 ( -3.148 4.258 0.446) 5.314 18.412 ( 0.758 -4.844 -4.077) 6.377 18.811 ( -0.660 2.294 -10.020) 10.300 18.913 ( 3.608 -7.112 -12.315) 14.672 21.488 ( -1.951 15.596 5.504) 16.654 21.632 ( -1.794 9.063 0.834) 9.277 21.754 ( -3.301 -8.521 0.167) 9.140 21.781 ( -1.877 -5.562 0.388) 5.883 ======================= Grid point 155 (58/120) ======================= q-point: ( 0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 6.147 12.988 9.392) 17.167 2.554 ( 3.722 14.349 2.656) 15.059 2.754 ( 5.424 -8.750 3.468) 10.864 2.915 ( 4.881 -13.187 0.173) 14.062 3.238 ( -7.781 2.716 -6.685) 10.612 3.327 ( -8.980 -6.514 -5.434) 12.353 3.719 ( -5.020 4.766 0.655) 6.953 3.826 ( -5.861 -5.834 0.543) 8.287 4.180 ( -3.369 5.983 -5.056) 8.527 4.209 ( -0.129 6.352 -3.443) 7.227 4.313 ( -3.715 -5.421 -1.443) 6.728 4.336 ( -4.270 -4.712 -8.394) 10.531 7.234 ( 12.325 14.710 13.207) 23.296 7.492 ( 14.165 -5.091 10.555) 18.384 7.633 ( 4.059 5.376 10.110) 12.149 7.795 ( 7.416 -6.160 2.924) 10.074 8.081 ( 15.405 8.176 11.178) 20.716 8.248 ( 18.360 -8.651 14.531) 24.961 8.855 ( 16.798 10.962 7.149) 21.294 8.908 ( -6.700 13.743 2.320) 15.464 9.126 ( 3.152 -13.817 3.703) 14.648 9.213 ( -0.104 -16.894 3.044) 17.167 10.220 ( 3.074 6.520 -6.290) 9.567 10.406 ( 4.786 -11.777 -2.939) 13.047 10.876 ( -14.711 17.869 -7.003) 24.182 11.000 ( -4.807 5.085 -1.442) 7.145 11.088 ( -1.273 -2.656 -4.469) 5.353 11.238 ( -8.702 -11.614 -5.973) 15.694 12.127 ( -0.231 3.828 -5.254) 6.505 12.230 ( -5.110 -6.294 -5.214) 9.639 12.525 ( -3.606 5.171 -6.754) 9.239 12.597 ( 0.491 -1.120 -6.275) 6.393 12.905 ( 3.289 6.327 -0.263) 7.136 13.003 ( 2.746 -2.949 -0.037) 4.030 13.294 ( 3.231 3.520 -0.778) 4.842 13.381 ( 4.105 -3.608 0.726) 5.513 13.749 ( -0.183 7.140 0.608) 7.169 13.966 ( 1.898 -12.715 5.165) 13.855 14.210 ( 2.249 9.420 -0.447) 9.695 14.369 ( 5.111 -6.662 3.131) 8.961 14.784 ( 4.107 7.430 -6.159) 10.488 14.912 ( 2.386 -3.192 -4.874) 6.296 15.076 ( -10.336 3.009 -9.982) 14.681 15.182 ( -0.785 -9.237 -4.680) 10.384 15.595 ( 9.094 16.040 4.853) 19.067 15.858 ( 13.007 -11.143 10.126) 19.897 16.510 ( 12.463 30.204 12.734) 35.069 17.126 ( 6.187 -23.339 8.268) 25.522 17.412 ( -3.532 6.219 -3.313) 7.882 17.522 ( 4.288 13.245 5.144) 14.841 17.768 ( 2.911 -17.517 11.051) 20.915 17.897 ( -7.084 -19.574 -5.484) 21.527 18.250 ( -3.193 1.121 6.086) 6.964 18.334 ( -7.694 -6.812 -0.625) 10.295 18.759 ( -5.519 7.326 -2.938) 9.631 18.914 ( -4.443 -8.339 -3.217) 9.982 21.455 ( -0.696 11.997 -0.993) 12.058 21.583 ( -2.650 5.488 -3.993) 7.286 21.670 ( -3.816 -2.242 -4.640) 6.413 21.741 ( -2.222 -3.623 -2.986) 5.194 ======================= Grid point 156 (59/120) ======================= q-point: ( 0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 4.838 9.399 6.186) 12.248 2.648 ( 4.039 1.937 0.681) 4.531 2.872 ( 3.576 0.586 4.143) 5.504 3.040 ( 0.900 -12.872 1.185) 12.957 3.113 ( -2.102 0.620 -6.750) 7.097 3.158 ( -0.419 -3.756 -7.029) 7.980 3.598 ( -6.580 2.954 1.000) 7.282 3.687 ( -7.304 -5.586 0.302) 9.200 4.092 ( -4.335 5.869 -2.522) 7.720 4.174 ( -3.287 0.570 -4.087) 5.275 4.216 ( -5.722 -1.592 -1.444) 6.113 4.235 ( -4.486 -3.760 -3.230) 6.685 7.539 ( 15.452 15.514 11.747) 24.848 7.762 ( 10.078 11.977 9.740) 18.436 7.824 ( 14.913 -10.778 18.962) 26.422 7.941 ( 6.612 -7.832 5.179) 11.484 8.360 ( 9.715 10.243 10.882) 17.825 8.555 ( 8.976 -9.444 12.431) 18.008 8.733 ( -8.645 7.070 2.298) 11.402 8.901 ( -12.363 -8.788 3.234) 15.509 9.243 ( 18.044 12.248 2.499) 21.950 9.544 ( 20.065 -16.242 0.407) 25.818 10.289 ( 1.195 6.197 -3.279) 7.112 10.323 ( -13.476 7.921 -12.528) 20.032 10.716 ( 3.160 0.804 1.276) 3.501 10.872 ( -7.968 -8.453 -3.111) 12.026 11.018 ( -4.754 3.610 -1.605) 6.181 11.129 ( -0.812 -7.737 -10.012) 12.679 12.067 ( -4.964 4.913 -8.665) 11.129 12.170 ( 0.282 -5.924 -10.607) 12.153 12.459 ( -4.781 8.188 -3.033) 9.955 12.592 ( -3.331 -5.249 -7.515) 9.753 13.025 ( 8.051 10.008 -0.242) 12.847 13.127 ( 8.356 0.516 1.262) 8.467 13.335 ( 0.639 1.149 -4.224) 4.424 13.387 ( -0.245 -4.869 -4.120) 6.383 13.751 ( 1.105 4.992 0.660) 5.155 13.937 ( -3.999 -11.504 7.025) 14.060 14.169 ( -7.000 6.744 -5.467) 11.152 14.321 ( -7.974 -8.682 -8.570) 14.574 14.788 ( -1.194 19.737 -7.761) 21.242 14.938 ( -1.588 6.914 -3.154) 7.763 15.077 ( 10.425 -4.743 6.675) 13.257 15.230 ( 3.574 -20.511 -3.239) 21.071 15.888 ( 17.238 24.403 -1.208) 29.902 16.240 ( 20.988 -10.868 5.010) 24.160 16.833 ( 17.778 19.424 16.862) 31.268 17.116 ( -14.776 18.187 -12.017) 26.335 17.289 ( 8.225 -18.672 11.222) 23.285 17.593 ( -10.246 -24.450 -5.697) 27.115 17.779 ( 12.744 3.288 13.346) 18.744 17.993 ( 4.305 -10.831 13.781) 18.049 18.131 ( -8.741 -4.763 7.762) 12.623 18.167 ( -5.696 -6.694 10.021) 13.330 18.562 ( -12.509 7.656 6.116) 15.890 18.723 ( -13.360 -8.681 5.806) 16.957 21.471 ( 2.140 7.516 -7.701) 10.972 21.540 ( -1.115 3.323 -9.835) 10.441 21.604 ( -2.553 3.632 -9.134) 10.156 21.686 ( -2.995 -2.480 -7.164) 8.152 ======================= Grid point 157 (60/120) ======================= q-point: ( 0.44 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( 6.253 5.619 1.804) 8.598 2.720 ( 2.634 0.845 -0.617) 2.834 2.841 ( -3.428 -3.013 -0.232) 4.570 2.884 ( -8.000 -5.497 -3.768) 10.412 3.245 ( 9.763 1.344 -0.343) 9.861 3.322 ( 9.907 -5.004 -1.954) 11.270 3.443 ( -8.223 1.552 1.266) 8.463 3.523 ( -8.539 -5.384 0.439) 10.104 4.033 ( -0.562 5.189 -1.905) 5.556 4.079 ( -4.493 3.293 -3.244) 6.447 4.136 ( -1.469 -4.627 -0.430) 4.874 4.153 ( -2.884 -4.576 -0.753) 5.461 7.826 ( 11.454 14.669 12.283) 22.299 7.962 ( 2.327 7.667 17.203) 18.977 8.032 ( 7.300 0.811 14.151) 15.944 8.098 ( 5.467 -9.599 17.841) 20.984 8.474 ( 2.766 7.330 8.137) 11.295 8.546 ( -4.470 0.382 3.763) 5.855 8.649 ( -1.748 -7.172 5.031) 8.933 8.697 ( -5.934 -10.597 7.012) 14.025 9.600 ( 16.075 17.920 -9.202) 25.772 9.910 ( -1.283 6.075 -12.875) 14.294 9.987 ( 1.591 -3.541 -12.388) 12.982 10.255 ( -9.418 -10.592 -10.733) 17.779 10.769 ( 4.490 2.364 1.743) 5.365 10.902 ( 7.935 -7.546 1.609) 11.068 10.916 ( -5.465 5.728 -0.018) 7.917 11.072 ( -5.797 -7.490 -2.231) 9.731 12.053 ( 5.141 10.790 -5.162) 13.019 12.227 ( 0.876 -0.990 -6.797) 6.925 12.274 ( -6.321 2.365 -3.049) 7.406 12.438 ( -10.185 -8.248 -6.010) 14.419 13.200 ( 6.654 9.210 -4.388) 12.180 13.267 ( 0.586 9.141 -1.141) 9.231 13.371 ( 7.765 -5.617 -6.623) 11.650 13.461 ( 2.980 -9.966 -7.913) 13.070 13.764 ( -0.188 5.921 -2.636) 6.483 13.844 ( -4.667 3.845 -1.961) 6.357 14.000 ( -3.653 -5.983 -1.551) 7.179 14.110 ( -10.311 -11.321 -4.051) 15.839 14.832 ( 4.357 23.029 -2.941) 23.622 14.913 ( -2.468 16.654 -0.535) 16.844 15.246 ( 5.070 -14.086 6.435) 16.295 15.286 ( 0.966 -21.147 1.508) 21.222 16.262 ( 17.601 29.990 -8.826) 35.876 16.535 ( -1.872 19.647 -9.369) 21.847 16.925 ( 4.174 -18.749 -5.380) 19.947 17.101 ( -1.206 -15.815 0.659) 15.875 17.452 ( 11.197 2.352 13.922) 18.020 17.578 ( 12.858 -10.165 13.060) 20.958 17.787 ( -15.852 7.529 12.266) 21.411 17.919 ( -14.497 -1.934 15.022) 20.966 18.078 ( 12.423 -5.042 13.022) 18.690 18.189 ( 5.946 -11.602 15.226) 20.045 18.324 ( -8.548 -0.785 11.548) 14.389 18.399 ( -16.239 -7.840 11.128) 21.189 21.527 ( 2.037 4.446 -12.219) 13.161 21.544 ( 2.264 3.082 -11.477) 12.098 21.560 ( -1.670 4.822 -12.341) 13.354 21.617 ( -3.610 -0.394 -10.308) 10.929 ======================= Grid point 189 (61/120) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 0.000 0.000 29.213) 29.213 2.232 ( 0.000 0.000 29.552) 29.552 2.881 ( 0.000 0.000 -10.426) 10.426 3.008 ( 0.000 0.000 7.057) 7.057 3.163 ( 0.000 0.000 2.149) 2.149 3.452 ( 0.000 0.000 10.751) 10.751 3.830 ( 0.000 0.000 -0.450) 0.450 3.892 ( 0.000 0.000 -5.326) 5.326 4.078 ( 0.000 0.000 -0.077) 0.077 4.119 ( 0.000 0.000 -5.636) 5.636 4.394 ( 0.000 0.000 -17.535) 17.535 4.646 ( 0.000 0.000 -3.586) 3.586 6.627 ( 0.000 0.000 13.310) 13.310 7.208 ( 0.000 0.000 11.083) 11.083 7.541 ( 0.000 0.000 -2.067) 2.067 7.541 ( 0.000 0.000 2.958) 2.958 8.243 ( 0.000 0.000 13.377) 13.377 8.247 ( 0.000 0.000 12.301) 12.301 8.519 ( 0.000 0.000 7.410) 7.410 8.864 ( 0.000 0.000 39.363) 39.363 9.468 ( 0.000 0.000 -21.870) 21.870 9.543 ( 0.000 0.000 -11.239) 11.239 9.714 ( 0.000 0.000 -14.052) 14.052 10.208 ( 0.000 0.000 -12.566) 12.566 10.938 ( 0.000 0.000 13.999) 13.999 10.971 ( 0.000 0.000 -14.354) 14.354 11.221 ( 0.000 0.000 -20.737) 20.737 11.340 ( 0.000 0.000 3.788) 3.788 11.596 ( 0.000 0.000 -4.840) 4.840 12.602 ( 0.000 0.000 12.750) 12.750 12.668 ( 0.000 0.000 -10.326) 10.326 12.785 ( 0.000 0.000 10.168) 10.168 12.856 ( 0.000 0.000 20.661) 20.661 13.151 ( 0.000 0.000 0.981) 0.981 13.207 ( 0.000 0.000 -3.758) 3.758 13.431 ( 0.000 0.000 -20.685) 20.685 13.708 ( 0.000 0.000 12.042) 12.042 13.711 ( 0.000 0.000 20.233) 20.233 13.850 ( 0.000 0.000 -11.180) 11.180 14.116 ( 0.000 0.000 -1.533) 1.533 14.623 ( 0.000 0.000 -24.024) 24.024 14.800 ( 0.000 0.000 15.253) 15.253 14.909 ( 0.000 0.000 -14.743) 14.743 15.278 ( 0.000 0.000 -8.163) 8.163 15.416 ( 0.000 0.000 29.118) 29.118 15.520 ( 0.000 0.000 -14.960) 14.960 15.901 ( 0.000 0.000 30.574) 30.574 17.010 ( 0.000 0.000 -35.060) 35.060 17.311 ( 0.000 0.000 22.904) 22.904 17.734 ( 0.000 0.000 -21.694) 21.694 18.189 ( 0.000 0.000 4.049) 4.049 18.272 ( 0.000 0.000 -7.957) 7.957 18.733 ( 0.000 0.000 0.045) 0.045 18.879 ( 0.000 0.000 4.688) 4.688 18.947 ( 0.000 0.000 -17.213) 17.213 19.267 ( 0.000 0.000 -4.287) 4.287 21.101 ( 0.000 0.000 7.857) 7.857 21.158 ( 0.000 0.000 20.422) 20.422 21.828 ( 0.000 0.000 0.181) 0.181 21.838 ( 0.000 0.000 -8.352) 8.352 ======================= Grid point 190 (62/120) ======================= q-point: ( 0.11 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 0.308 0.000 25.738) 25.740 2.345 ( 10.231 0.000 26.191) 28.118 2.886 ( 1.250 0.000 -12.147) 12.211 3.172 ( 8.882 0.000 -0.624) 8.904 3.190 ( 2.432 0.000 2.341) 3.376 3.454 ( 3.579 0.000 18.028) 18.380 3.724 ( -7.928 0.000 -0.903) 7.980 3.863 ( -2.754 0.000 -11.172) 11.507 4.068 ( -4.586 0.000 -5.648) 7.275 4.125 ( 3.418 0.000 4.868) 5.948 4.330 ( -5.921 0.000 -16.533) 17.561 4.619 ( -2.257 0.000 -2.078) 3.068 6.683 ( 5.064 0.000 13.286) 14.218 7.048 ( -8.594 0.000 17.129) 19.164 7.627 ( 6.994 0.000 -3.212) 7.696 7.650 ( 9.178 0.000 2.622) 9.546 8.378 ( 11.760 0.000 15.281) 19.282 8.483 ( 15.558 0.000 4.484) 16.192 8.550 ( 3.190 0.000 7.524) 8.172 8.940 ( 7.927 0.000 34.938) 35.826 9.388 ( -6.898 0.000 -8.492) 10.940 9.421 ( -4.209 0.000 -17.524) 18.022 9.992 ( 18.409 0.000 -13.786) 22.999 10.131 ( -8.128 0.000 -11.730) 14.271 10.757 ( -8.067 0.000 2.285) 8.384 11.121 ( 5.420 0.000 -5.771) 7.917 11.210 ( 2.147 0.000 -10.040) 10.267 11.440 ( 5.376 0.000 2.347) 5.866 11.611 ( 2.215 0.000 -10.698) 10.925 12.446 ( -14.000 0.000 -1.133) 14.046 12.536 ( -16.331 0.000 11.772) 20.132 12.683 ( -0.476 0.000 -4.633) 4.658 12.767 ( -8.924 0.000 15.096) 17.536 13.024 ( -8.612 0.000 1.747) 8.788 13.198 ( -1.530 0.000 0.343) 1.568 13.330 ( -5.323 0.000 -10.816) 12.055 13.872 ( 6.749 0.000 0.396) 6.761 13.887 ( 1.862 0.000 -14.765) 14.882 13.944 ( 18.298 0.000 18.640) 26.120 14.135 ( 6.239 0.000 1.758) 6.482 14.583 ( -2.866 0.000 -20.988) 21.182 14.654 ( -10.916 0.000 16.130) 19.477 14.886 ( -7.084 0.000 -14.716) 16.332 15.362 ( 8.791 0.000 -6.955) 11.210 15.526 ( 5.567 0.000 -12.860) 14.013 15.689 ( 20.788 0.000 28.940) 35.633 15.977 ( 6.749 0.000 30.518) 31.255 16.731 ( -20.970 0.000 -31.610) 37.933 17.276 ( -1.720 0.000 23.968) 24.030 17.954 ( 15.029 0.000 -21.926) 26.582 18.192 ( -0.867 0.000 -12.253) 12.284 18.408 ( 14.670 0.000 14.563) 20.671 18.853 ( -7.421 0.000 -14.417) 16.215 18.900 ( 2.006 0.000 4.632) 5.048 18.927 ( 12.693 0.000 -6.777) 14.389 19.271 ( 0.325 0.000 -3.885) 3.899 21.026 ( -6.896 0.000 5.495) 8.818 21.124 ( -2.956 0.000 18.405) 18.641 21.675 ( -14.503 0.000 -7.787) 16.461 21.787 ( -3.868 0.000 -0.894) 3.970 ======================= Grid point 191 (63/120) ======================= q-point: ( 0.22 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 2.694 0.000 16.614) 16.831 2.621 ( 15.022 0.000 18.889) 24.134 2.927 ( 1.919 0.000 -13.679) 13.813 3.148 ( -6.813 0.000 -1.489) 6.974 3.256 ( 3.546 0.000 2.907) 4.586 3.480 ( -8.932 0.000 1.277) 9.023 3.734 ( 6.141 0.000 3.771) 7.206 3.816 ( 1.325 0.000 -12.056) 12.128 3.943 ( -6.846 0.000 -5.701) 8.909 4.159 ( -9.926 0.000 -14.051) 17.204 4.206 ( 5.995 0.000 12.783) 14.119 4.583 ( -0.346 0.000 1.861) 1.893 6.826 ( 8.487 0.000 12.297) 14.941 6.996 ( 4.354 0.000 17.002) 17.550 7.808 ( 9.680 0.000 -2.528) 10.005 7.840 ( 6.626 0.000 0.416) 6.639 8.647 ( 5.452 0.000 3.474) 6.464 8.657 ( 13.218 0.000 22.905) 26.445 8.737 ( 9.036 0.000 -1.872) 9.228 9.229 ( 18.445 0.000 17.910) 25.710 9.293 ( -3.829 0.000 -3.249) 5.022 9.326 ( -2.326 0.000 -1.425) 2.728 9.868 ( -15.052 0.000 -1.398) 15.117 10.392 ( 18.093 0.000 -11.919) 21.666 10.648 ( -1.984 0.000 -1.331) 2.389 11.166 ( -1.163 0.000 -9.245) 9.318 11.294 ( 3.724 0.000 2.497) 4.484 11.488 ( -2.167 0.000 8.074) 8.360 11.689 ( 4.803 0.000 -18.542) 19.153 12.003 ( -26.829 0.000 -16.279) 31.381 12.301 ( -2.663 0.000 4.174) 4.951 12.580 ( -6.672 0.000 6.046) 9.004 12.678 ( 1.031 0.000 0.004) 1.031 12.896 ( -3.559 0.000 2.790) 4.523 13.139 ( -4.508 0.000 3.922) 5.975 13.276 ( -0.375 0.000 -3.329) 3.350 13.827 ( -6.106 0.000 -12.612) 14.012 13.892 ( -2.046 0.000 -16.859) 16.983 14.267 ( -4.154 0.000 -14.902) 15.470 14.297 ( 6.470 0.000 9.797) 11.741 14.515 ( -16.247 0.000 -20.088) 25.836 14.521 ( 7.753 0.000 20.475) 21.894 14.726 ( 12.809 0.000 9.837) 16.151 15.551 ( 7.166 0.000 -2.985) 7.763 15.823 ( 19.713 0.000 -10.308) 22.245 16.139 ( 7.710 0.000 30.519) 31.478 16.202 ( 25.578 0.000 27.982) 37.911 16.270 ( -19.667 0.000 -25.386) 32.113 17.308 ( 6.301 0.000 23.147) 23.989 18.210 ( 7.561 0.000 -15.814) 17.528 18.238 ( 4.463 0.000 -8.184) 9.322 18.566 ( -10.510 0.000 -7.298) 12.795 18.801 ( 13.258 0.000 13.613) 19.003 18.962 ( 3.915 0.000 4.436) 5.916 19.146 ( 5.526 0.000 -4.246) 6.968 19.279 ( 0.335 0.000 -2.596) 2.618 20.836 ( -10.458 0.000 -1.818) 10.615 21.056 ( -2.844 0.000 11.888) 12.223 21.303 ( -19.210 0.000 -10.177) 21.739 21.671 ( -7.021 0.000 -3.765) 7.967 ======================= Grid point 192 (64/120) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 7.583 0.000 5.194) 9.192 2.869 ( -9.364 0.000 -11.316) 14.688 2.930 ( 13.685 0.000 11.847) 18.100 3.065 ( 0.809 0.000 -6.825) 6.873 3.298 ( -7.543 0.000 -2.689) 8.008 3.318 ( 1.841 0.000 3.832) 4.251 3.681 ( -3.822 0.000 -2.678) 4.667 3.807 ( -5.537 0.000 -6.012) 8.173 3.844 ( -3.162 0.000 -5.716) 6.532 3.946 ( -9.625 0.000 -11.159) 14.737 4.418 ( 11.232 0.000 14.994) 18.734 4.605 ( 1.825 0.000 5.635) 5.923 7.038 ( 11.768 0.000 9.202) 14.939 7.223 ( 16.727 0.000 10.508) 19.754 7.851 ( -6.052 0.000 -2.922) 6.721 7.999 ( 7.568 0.000 -0.844) 7.615 8.704 ( -0.438 0.000 -9.128) 9.139 8.912 ( 11.425 0.000 26.640) 28.986 8.928 ( 3.986 0.000 -10.719) 11.436 9.124 ( -7.693 0.000 6.043) 9.782 9.271 ( -0.171 0.000 13.525) 13.526 9.647 ( -4.593 0.000 20.078) 20.596 9.736 ( 24.909 0.000 7.459) 26.002 10.679 ( 5.974 0.000 -5.026) 7.807 10.679 ( 7.608 0.000 -3.644) 8.435 11.070 ( -8.976 0.000 -11.894) 14.901 11.302 ( -13.024 0.000 13.672) 18.883 11.377 ( 6.138 0.000 5.791) 8.439 11.425 ( -25.638 0.000 -18.145) 31.409 11.811 ( 4.192 0.000 -17.695) 18.185 12.401 ( 7.735 0.000 -7.936) 11.082 12.542 ( 3.533 0.000 -4.854) 6.004 12.729 ( 3.311 0.000 0.564) 3.359 12.852 ( -1.042 0.000 0.070) 1.044 13.023 ( -4.713 0.000 1.501) 4.946 13.288 ( 1.349 0.000 -1.177) 1.791 13.725 ( -2.745 0.000 -15.127) 15.374 13.761 ( -10.240 0.000 -7.081) 12.449 13.958 ( -21.097 0.000 -15.913) 26.426 14.198 ( -11.669 0.000 -19.140) 22.417 14.358 ( 7.296 0.000 -5.417) 9.087 14.857 ( 14.713 0.000 15.668) 21.493 15.142 ( 21.434 0.000 17.525) 27.686 15.590 ( -4.473 0.000 -3.975) 5.984 15.890 ( -11.755 0.000 -10.156) 15.534 16.069 ( -1.609 0.000 12.771) 12.872 16.433 ( 24.176 0.000 6.647) 25.073 16.820 ( 30.293 0.000 25.361) 39.508 17.568 ( 16.830 0.000 18.704) 25.161 18.119 ( -16.218 0.000 -13.630) 21.185 18.224 ( -6.530 0.000 -3.902) 7.607 18.535 ( 10.814 0.000 6.848) 12.800 19.033 ( 3.406 0.000 18.338) 18.651 19.057 ( 4.933 0.000 4.071) 6.395 19.107 ( -7.322 0.000 7.090) 10.192 19.275 ( -0.926 0.000 -0.186) 0.945 20.639 ( -7.011 0.000 -13.424) 15.144 20.935 ( -15.008 0.000 -17.381) 22.964 21.037 ( 1.678 0.000 1.640) 2.346 21.501 ( -8.988 0.000 -7.265) 11.557 ======================= Grid point 193 (65/120) ======================= q-point: ( 0.44 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 12.817 0.000 -4.520) 13.591 2.609 ( -14.206 0.000 -9.787) 17.251 3.106 ( 2.404 0.000 -7.853) 8.212 3.170 ( 9.108 0.000 7.056) 11.521 3.174 ( -4.416 0.000 -5.143) 6.779 3.305 ( -3.573 0.000 4.928) 6.087 3.659 ( 2.031 0.000 -0.817) 2.189 3.739 ( -0.550 0.000 -6.831) 6.853 3.744 ( -5.278 0.000 -2.874) 6.009 3.787 ( -5.117 0.000 -8.459) 9.887 4.585 ( 4.680 0.000 11.777) 12.673 4.631 ( -0.030 0.000 8.875) 8.875 7.316 ( 14.608 0.000 4.097) 15.172 7.625 ( -14.074 0.000 -1.243) 14.129 7.651 ( 22.533 0.000 3.404) 22.789 8.028 ( -8.679 0.000 1.334) 8.781 8.658 ( -2.856 0.000 -13.047) 13.356 8.690 ( -9.743 0.000 -19.035) 21.384 9.130 ( 8.850 0.000 27.195) 28.599 9.254 ( -2.787 0.000 24.649) 24.806 9.319 ( 14.049 0.000 20.695) 25.013 9.554 ( -7.254 0.000 22.644) 23.777 10.232 ( 22.583 0.000 -5.252) 23.186 10.703 ( -21.435 0.000 -15.237) 26.299 10.820 ( 7.306 0.000 8.413) 11.142 10.848 ( 8.336 0.000 -8.016) 11.564 11.027 ( -12.212 0.000 13.548) 18.239 11.060 ( -11.149 0.000 -10.471) 15.295 11.571 ( 11.230 0.000 0.526) 11.242 11.781 ( -7.087 0.000 -7.601) 10.392 12.525 ( 4.922 0.000 -14.672) 15.476 12.604 ( -1.418 0.000 -12.723) 12.801 12.795 ( 2.726 0.000 -1.868) 3.304 12.835 ( -1.075 0.000 -1.781) 2.080 13.097 ( 13.419 0.000 -7.227) 15.241 13.352 ( 5.503 0.000 -0.050) 5.503 13.475 ( -20.541 0.000 -14.390) 25.080 13.527 ( -10.741 0.000 -0.682) 10.762 13.790 ( 5.297 0.000 -12.472) 13.550 13.966 ( -10.469 0.000 -15.979) 19.103 14.610 ( 15.349 0.000 -13.144) 20.208 14.916 ( -10.371 0.000 -8.096) 13.157 15.557 ( 5.938 0.000 7.048) 9.216 15.563 ( 18.428 0.000 19.779) 27.033 15.723 ( -7.546 0.000 7.620) 10.724 15.896 ( -12.972 0.000 20.226) 24.029 16.991 ( 27.361 0.000 -4.353) 27.706 17.438 ( 27.865 0.000 18.927) 33.685 17.531 ( -22.545 0.000 -6.743) 23.532 17.944 ( -19.666 0.000 8.927) 21.597 18.182 ( 24.035 0.000 13.537) 27.585 18.708 ( -22.004 0.000 10.583) 24.417 18.820 ( 12.292 0.000 16.575) 20.635 19.050 ( -6.916 0.000 20.270) 21.418 19.156 ( 4.367 0.000 3.539) 5.621 19.234 ( -2.958 0.000 2.245) 3.713 20.582 ( 1.637 0.000 -22.238) 22.298 20.691 ( -8.464 0.000 -22.892) 24.406 21.131 ( 6.972 0.000 -6.793) 9.735 21.307 ( -9.303 0.000 -9.248) 13.118 ======================= Grid point 198 (66/120) ======================= q-point: ( 0.00 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 0.000 12.047 26.038) 28.690 2.183 ( 0.000 -2.562 27.594) 27.713 2.842 ( 0.000 -3.750 -9.256) 9.986 3.125 ( 0.000 8.545 1.647) 8.703 3.212 ( 0.000 4.514 1.404) 4.727 3.459 ( 0.000 1.020 12.455) 12.497 3.798 ( 0.000 -2.940 -1.435) 3.272 3.832 ( 0.000 -6.541 -11.095) 12.879 3.988 ( 0.000 -1.313 2.438) 2.769 4.208 ( 0.000 2.518 -4.243) 4.934 4.363 ( 0.000 -3.137 -17.059) 17.345 4.595 ( 0.000 -4.966 -4.140) 6.466 6.747 ( 0.000 11.259 10.155) 15.162 7.215 ( 0.000 0.685 9.885) 9.909 7.540 ( 0.000 -0.131 1.182) 1.189 7.555 ( 0.000 1.248 3.083) 3.326 8.193 ( 0.000 -0.843 14.079) 14.104 8.229 ( 0.000 -3.684 14.103) 14.576 8.573 ( 0.000 4.736 7.527) 8.893 8.827 ( 0.000 -3.349 38.207) 38.354 9.328 ( 0.000 -9.341 -14.683) 17.402 9.708 ( 0.000 11.620 -16.415) 20.111 9.762 ( 0.000 4.425 -13.384) 14.097 10.073 ( 0.000 -12.237 -9.846) 15.706 10.937 ( 0.000 -0.904 10.823) 10.860 11.005 ( 0.000 1.731 -14.299) 14.403 11.280 ( 0.000 6.297 -11.817) 13.390 11.373 ( 0.000 3.489 4.203) 5.462 11.546 ( 0.000 -3.113 -8.448) 9.004 12.632 ( 0.000 -2.728 -4.314) 5.104 12.743 ( 0.000 9.446 9.028) 13.066 12.798 ( 0.000 4.554 13.313) 14.070 12.860 ( 0.000 -2.192 2.710) 3.485 13.068 ( 0.000 -3.477 6.445) 7.323 13.269 ( 0.000 1.211 -5.033) 5.177 13.478 ( 0.000 -11.317 11.505) 16.138 13.538 ( 0.000 9.512 -14.941) 17.712 13.696 ( 0.000 -11.941 -8.978) 14.939 13.964 ( 0.000 11.524 15.789) 19.547 14.033 ( 0.000 -4.877 -1.101) 5.000 14.593 ( 0.000 -2.728 -23.071) 23.231 14.974 ( 0.000 13.576 8.819) 16.189 15.001 ( 0.000 7.921 -15.748) 17.628 15.170 ( 0.000 -6.615 -2.997) 7.262 15.444 ( 0.000 2.970 29.633) 29.781 15.597 ( 0.000 4.878 -10.200) 11.306 15.930 ( 0.000 3.395 25.168) 25.396 17.087 ( 0.000 7.554 -33.197) 34.046 17.296 ( 0.000 -1.141 22.764) 22.792 17.760 ( 0.000 2.606 -21.476) 21.633 18.112 ( 0.000 -9.380 13.459) 16.405 18.233 ( 0.000 -2.942 -18.141) 18.378 18.642 ( 0.000 -20.800 3.553) 21.101 18.691 ( 0.000 -4.174 1.557) 4.455 18.901 ( 0.000 -5.408 -12.798) 13.894 19.065 ( 0.000 -18.343 -4.871) 18.979 21.230 ( 0.000 10.943 9.082) 14.221 21.242 ( 0.000 8.933 15.724) 18.084 21.831 ( 0.000 0.934 -0.723) 1.181 21.889 ( 0.000 3.228 -6.893) 7.611 ======================= Grid point 199 (67/120) ======================= q-point: ( 0.11 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 0.046 10.616 22.267) 24.669 2.318 ( 11.059 -0.916 25.250) 27.580 2.856 ( 1.690 -3.077 -10.528) 11.098 3.138 ( -1.055 -0.675 -1.181) 1.721 3.292 ( 4.330 4.927 1.173) 6.663 3.490 ( 5.797 3.635 14.989) 16.477 3.709 ( -6.701 -1.537 -1.431) 7.022 3.798 ( -2.252 -4.998 -13.267) 14.355 4.005 ( -0.695 -2.409 0.459) 2.549 4.184 ( -1.249 1.740 -1.000) 2.364 4.311 ( -4.816 -1.944 -15.940) 16.765 4.567 ( -2.369 -5.034 -2.746) 6.204 6.810 ( 5.699 11.910 10.532) 16.889 7.088 ( -6.580 4.247 16.232) 18.023 7.643 ( 8.307 2.131 -0.405) 8.586 7.667 ( 9.306 1.098 1.790) 9.540 8.312 ( 9.363 -5.509 16.061) 19.390 8.420 ( 14.858 -5.365 8.579) 17.976 8.602 ( 2.406 4.931 6.175) 8.261 8.902 ( 7.470 -3.754 33.107) 34.146 9.327 ( 0.966 -4.508 -9.512) 10.571 9.533 ( -9.211 8.194 -11.494) 16.855 9.964 ( 11.337 -4.399 -14.195) 18.692 10.128 ( 2.559 2.094 -9.726) 10.273 10.788 ( -9.877 2.557 -3.623) 10.826 10.956 ( -3.806 -8.847 -2.233) 9.887 11.308 ( 6.155 1.961 -3.342) 7.273 11.474 ( 1.407 0.169 4.602) 4.815 11.610 ( 6.870 4.404 -15.886) 17.860 12.435 ( -13.734 0.261 -1.782) 13.852 12.579 ( -16.314 1.033 1.236) 16.393 12.734 ( -8.302 -1.536 11.524) 14.286 12.816 ( -1.457 11.360 0.570) 11.467 12.964 ( -7.281 -3.611 4.013) 9.064 13.202 ( -3.344 -2.232 -0.368) 4.038 13.441 ( -2.845 9.490 -4.776) 10.998 13.692 ( 16.773 -12.195 8.599) 22.450 13.831 ( 3.907 -2.241 -11.493) 12.344 13.959 ( -2.109 -2.013 -6.282) 6.926 14.229 ( 16.233 7.404 11.997) 21.500 14.550 ( -2.736 -2.534 -18.068) 18.448 14.847 ( -9.025 15.517 11.491) 21.314 14.935 ( -6.166 4.500 -13.554) 15.556 15.176 ( 0.322 -9.355 -8.021) 12.326 15.588 ( 7.937 -4.021 4.193) 9.836 15.749 ( 18.085 8.623 17.279) 26.458 16.025 ( 8.934 4.969 25.846) 27.795 16.818 ( -19.727 8.622 -29.109) 36.205 17.284 ( -0.237 1.210 22.738) 22.771 17.969 ( 13.558 1.126 -21.618) 25.542 18.179 ( 0.010 -1.246 -12.310) 12.373 18.301 ( 13.778 -11.627 12.712) 22.059 18.649 ( 0.146 -19.855 1.504) 19.912 18.825 ( -5.865 -5.629 -7.979) 11.391 18.869 ( 12.373 -6.356 -3.593) 14.367 19.065 ( -0.086 -17.871 -4.759) 18.494 21.164 ( -6.108 12.282 4.925) 14.575 21.204 ( -3.283 7.919 15.736) 17.920 21.729 ( -12.369 4.197 -7.158) 14.895 21.804 ( -4.485 1.539 -1.372) 4.936 ======================= Grid point 200 (68/120) ======================= q-point: ( 0.22 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 2.111 10.206 14.063) 17.504 2.599 ( 14.782 -1.542 19.033) 24.149 2.908 ( 2.622 -1.879 -12.140) 12.561 3.077 ( -4.358 -4.476 -1.611) 6.452 3.271 ( -3.738 -1.271 3.121) 5.033 3.520 ( -6.796 3.171 -1.078) 7.577 3.681 ( 0.299 -5.949 -1.211) 6.078 3.814 ( 5.149 1.684 -6.875) 8.753 3.929 ( -4.963 -1.458 -4.689) 6.981 4.151 ( -6.712 -0.962 -9.598) 11.752 4.217 ( 1.950 0.680 4.737) 5.168 4.526 ( -0.839 -5.406 0.752) 5.522 6.972 ( 9.428 14.005 10.555) 19.911 7.061 ( 4.853 6.725 17.165) 19.063 7.844 ( 8.921 3.297 -1.247) 9.592 7.870 ( 9.322 3.272 0.684) 9.903 8.552 ( 12.396 -9.924 22.056) 27.177 8.656 ( 3.255 0.844 1.174) 3.562 8.715 ( 12.269 -1.864 4.056) 13.056 9.100 ( 7.331 -6.697 12.079) 15.637 9.372 ( -1.461 2.461 -0.886) 2.996 9.439 ( 8.662 8.489 7.968) 14.511 9.928 ( -15.187 6.919 -6.281) 17.832 10.274 ( 10.371 -9.006 -10.164) 17.087 10.693 ( 1.700 2.595 -5.070) 5.944 10.922 ( 1.075 -14.109 -3.781) 14.646 11.422 ( 0.637 -3.748 5.355) 6.567 11.442 ( -3.385 -0.678 2.466) 4.242 11.734 ( 4.445 7.140 -17.897) 19.774 12.051 ( -24.057 3.387 -19.748) 31.308 12.311 ( -3.423 1.239 3.050) 4.749 12.545 ( -6.247 -2.444 4.847) 8.276 12.805 ( 0.136 11.370 3.363) 11.858 12.844 ( -3.468 -3.747 2.015) 5.489 13.164 ( -1.764 1.573 3.191) 3.971 13.413 ( -0.400 12.678 -2.428) 12.915 13.738 ( -8.842 -5.051 -9.466) 13.904 13.937 ( -1.006 3.885 -14.377) 14.926 14.048 ( 11.236 -14.317 0.208) 18.201 14.398 ( -2.677 1.807 -6.625) 7.370 14.485 ( -7.999 -3.139 -13.312) 15.844 14.711 ( -6.864 21.911 5.031) 23.506 14.872 ( 15.878 9.963 15.064) 24.048 15.288 ( 8.274 -18.842 -2.684) 20.753 15.792 ( 10.282 -9.783 0.936) 14.223 16.143 ( 7.732 4.850 8.746) 12.642 16.302 ( 19.427 7.504 20.816) 29.445 16.443 ( -7.258 14.275 -7.047) 17.496 17.334 ( 6.068 3.255 21.299) 22.385 18.138 ( 3.101 -5.793 -13.870) 15.348 18.288 ( 7.897 2.919 -10.159) 13.194 18.504 ( -9.151 -5.825 -5.732) 12.269 18.637 ( 9.727 -21.409 5.638) 24.181 18.787 ( 4.967 -10.568 11.779) 16.586 19.047 ( -1.153 -20.172 -0.712) 20.217 19.099 ( 6.731 -5.517 -3.635) 9.432 20.997 ( -9.162 14.126 -1.988) 16.954 21.126 ( -3.493 6.908 9.759) 12.456 21.398 ( -17.286 7.825 -9.996) 21.447 21.687 ( -6.888 1.346 -3.801) 7.982 ======================= Grid point 201 (69/120) ======================= q-point: ( 0.33 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 6.347 8.401 4.373) 11.401 2.855 ( -3.618 -1.966 -0.817) 4.198 2.899 ( 6.656 -1.991 3.077) 7.598 3.038 ( 1.930 -2.804 -7.061) 7.839 3.198 ( -2.340 -4.609 -0.410) 5.185 3.392 ( -4.682 0.576 1.072) 4.837 3.647 ( -1.504 -2.477 -3.538) 4.573 3.761 ( -6.390 -2.354 -3.562) 7.685 3.874 ( -3.440 1.267 -6.175) 7.182 3.977 ( -7.935 2.680 -10.355) 13.318 4.363 ( 8.463 -5.086 11.565) 15.206 4.532 ( 0.860 -6.904 4.316) 8.187 7.176 ( 10.793 12.948 10.514) 19.866 7.313 ( 18.020 9.733 9.662) 22.645 7.895 ( -3.785 4.479 -1.794) 6.133 8.075 ( 8.414 7.453 0.503) 11.251 8.678 ( -0.498 -2.261 -6.537) 6.935 8.813 ( 11.779 -9.367 24.310) 28.591 8.968 ( 8.298 3.102 -3.599) 9.562 9.084 ( -5.065 -3.023 5.547) 8.097 9.345 ( -3.219 3.669 9.937) 11.070 9.618 ( -8.164 1.070 15.353) 17.421 9.795 ( 20.404 4.503 8.367) 22.508 10.438 ( 5.577 -15.743 -6.141) 17.795 10.756 ( 2.983 2.133 -4.628) 5.904 11.001 ( 4.095 -6.979 -9.390) 12.395 11.286 ( -10.332 -1.730 13.632) 17.192 11.298 ( -13.813 -5.869 -4.712) 15.731 11.576 ( -10.443 9.458 -11.013) 17.883 11.871 ( 3.179 6.348 -17.422) 18.813 12.342 ( 2.567 -5.289 -7.033) 9.166 12.523 ( 2.885 -1.454 -5.961) 6.780 12.802 ( 1.906 -0.241 0.874) 2.111 12.845 ( 2.066 8.382 2.905) 9.109 13.103 ( -3.549 5.929 0.649) 6.941 13.416 ( 0.680 12.247 -3.403) 12.729 13.567 ( -5.589 -9.766 -10.629) 15.479 13.869 ( -6.227 8.683 -10.053) 14.671 14.004 ( -16.272 4.374 -14.118) 21.983 14.071 ( -11.370 -9.133 -16.516) 22.034 14.665 ( 8.296 19.738 -5.175) 22.028 14.714 ( 13.056 -5.875 14.189) 20.157 15.277 ( 17.411 9.365 15.931) 25.390 15.403 ( 1.711 -19.006 5.879) 19.968 15.857 ( -13.444 1.484 -9.101) 16.303 15.997 ( 1.581 -7.054 -4.141) 8.331 16.652 ( 18.520 16.530 12.474) 27.782 16.865 ( 28.646 4.473 24.917) 38.229 17.567 ( 15.666 0.080 17.463) 23.460 18.051 ( -14.088 -5.362 -12.849) 19.807 18.254 ( -8.932 0.481 -2.545) 9.300 18.464 ( 8.393 -6.663 3.959) 11.424 18.776 ( 2.788 -23.661 4.592) 24.263 18.956 ( -8.111 -15.628 2.082) 17.730 18.960 ( 7.833 -8.650 18.780) 22.111 19.156 ( -0.720 -8.806 5.061) 10.182 20.823 ( -6.430 15.752 -11.867) 20.744 21.047 ( -10.485 9.146 -12.993) 19.037 21.111 ( -2.227 7.275 -2.995) 8.177 21.522 ( -8.640 1.827 -7.394) 11.518 ======================= Grid point 202 (70/120) ======================= q-point: ( 0.44 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 11.221 5.473 -4.023) 13.117 2.632 ( -12.729 2.236 -8.552) 15.498 3.023 ( 2.587 -6.085 -0.366) 6.622 3.061 ( -1.039 -6.923 -0.492) 7.018 3.233 ( 5.342 1.881 -2.281) 6.106 3.325 ( -2.852 0.038 1.025) 3.031 3.628 ( -0.439 -2.996 -2.314) 3.811 3.652 ( -3.273 -4.379 -2.912) 6.194 3.808 ( -1.131 3.466 -4.814) 6.039 3.847 ( -4.380 4.427 -6.033) 8.671 4.494 ( 3.913 -8.577 9.687) 13.517 4.539 ( -0.644 -8.626 7.392) 11.378 7.434 ( 13.479 11.351 5.863) 18.571 7.702 ( -6.127 8.337 1.450) 10.448 7.769 ( 16.590 11.209 2.603) 20.190 8.123 ( -7.470 9.278 2.289) 12.129 8.653 ( -0.857 -0.122 -9.914) 9.951 8.734 ( -11.806 4.303 -14.121) 18.902 9.058 ( 10.920 -7.135 21.091) 24.799 9.246 ( -6.602 -2.382 19.794) 21.002 9.297 ( 13.138 -2.661 18.708) 23.015 9.509 ( -6.419 -3.340 21.631) 22.809 10.203 ( 17.635 -2.360 -3.171) 18.073 10.477 ( -5.160 -13.359 -6.460) 15.711 10.810 ( 2.094 -2.738 -6.123) 7.027 10.938 ( -10.048 1.290 -1.522) 10.244 11.037 ( -0.752 1.240 -0.550) 1.551 11.120 ( -6.083 3.992 2.758) 7.781 11.617 ( 9.443 4.980 -1.600) 10.795 11.825 ( -7.852 5.338 -7.677) 12.210 12.406 ( 4.479 -9.641 -12.273) 16.237 12.512 ( -4.275 -7.153 -12.625) 15.127 12.889 ( 2.170 6.577 -0.628) 6.955 12.909 ( 2.198 6.673 -1.128) 7.116 13.119 ( 9.730 3.015 -7.270) 12.515 13.388 ( -8.357 3.213 -9.617) 13.139 13.539 ( 2.516 -2.451 -8.107) 8.835 13.626 ( -8.676 11.837 -7.234) 16.362 13.799 ( -3.239 8.700 -7.245) 11.776 13.865 ( -8.698 -7.208 -13.074) 17.278 14.862 ( 11.518 21.767 -8.908) 26.188 14.988 ( 6.015 -1.807 5.919) 8.630 15.322 ( -2.735 -7.613 3.001) 8.628 15.432 ( -7.657 -12.053 6.146) 15.546 15.769 ( 9.886 4.460 10.558) 15.136 15.967 ( -6.244 -2.285 9.409) 11.521 17.093 ( 22.878 10.331 1.917) 25.176 17.444 ( 22.470 0.517 15.617) 27.369 17.583 ( -16.697 5.414 -1.798) 17.645 17.911 ( -11.140 -5.686 7.546) 14.608 18.132 ( 14.522 -3.587 13.530) 20.170 18.553 ( -14.640 -18.814 11.582) 26.503 18.712 ( 4.484 -6.311 7.227) 10.591 18.836 ( -3.440 -18.306 7.327) 20.015 19.061 ( 2.707 -9.159 15.307) 18.042 19.115 ( -2.584 -10.740 9.702) 14.702 20.759 ( 0.516 15.176 -19.682) 24.859 20.840 ( -7.136 12.934 -20.989) 25.667 21.176 ( 6.128 4.231 -7.393) 10.493 21.337 ( -8.711 2.773 -9.526) 13.203 ======================= Grid point 207 (71/120) ======================= q-point: ( 0.00 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 0.000 5.791 19.684) 20.518 2.392 ( 0.000 17.529 19.267) 26.048 2.744 ( 0.000 -6.253 -5.676) 8.445 3.181 ( 0.000 -4.285 2.588) 5.006 3.304 ( 0.000 3.929 -1.138) 4.090 3.491 ( 0.000 -0.314 5.156) 5.166 3.751 ( 0.000 1.947 -13.410) 13.550 3.753 ( 0.000 -0.333 -2.621) 2.642 4.019 ( 0.000 3.272 -0.566) 3.321 4.195 ( 0.000 -3.102 -2.793) 4.175 4.274 ( 0.000 -6.045 -16.101) 17.198 4.470 ( 0.000 -7.541 -5.033) 9.066 6.995 ( 0.000 12.438 3.527) 12.928 7.232 ( 0.000 0.987 6.536) 6.610 7.551 ( 0.000 1.737 6.804) 7.022 7.583 ( 0.000 1.429 3.375) 3.665 8.142 ( 0.000 -3.758 19.359) 19.721 8.281 ( 0.000 10.192 13.190) 16.669 8.568 ( 0.000 -8.434 24.618) 26.023 8.852 ( 0.000 8.711 16.987) 19.091 9.127 ( 0.000 -11.297 -7.804) 13.730 9.765 ( 0.000 -14.547 -7.805) 16.508 9.885 ( 0.000 3.555 -7.596) 8.387 9.932 ( 0.000 9.740 -14.138) 17.168 10.894 ( 0.000 -2.658 5.743) 6.328 10.998 ( 0.000 -2.266 -13.783) 13.968 11.420 ( 0.000 5.351 8.428) 9.983 11.458 ( 0.000 4.433 5.997) 7.458 11.595 ( 0.000 11.450 -23.564) 26.199 12.580 ( 0.000 -3.106 -8.504) 9.053 12.757 ( 0.000 -1.930 10.433) 10.610 12.772 ( 0.000 -6.249 -4.817) 7.890 12.982 ( 0.000 -6.647 4.939) 8.281 13.073 ( 0.000 13.601 8.120) 15.841 13.218 ( 0.000 -4.033 -2.855) 4.941 13.302 ( 0.000 -5.815 10.067) 11.626 13.435 ( 0.000 -11.627 -11.010) 16.013 13.717 ( 0.000 6.267 -2.140) 6.622 14.030 ( 0.000 4.615 -4.772) 6.639 14.167 ( 0.000 8.351 14.411) 16.656 14.544 ( 0.000 -1.032 -17.573) 17.603 15.007 ( 0.000 -6.290 -7.874) 10.079 15.147 ( 0.000 5.824 -16.112) 17.133 15.206 ( 0.000 2.493 10.058) 10.362 15.542 ( 0.000 7.417 27.872) 28.842 15.777 ( 0.000 15.378 -3.673) 15.811 16.022 ( 0.000 7.077 20.742) 21.916 17.273 ( 0.000 10.534 -27.153) 29.125 17.291 ( 0.000 1.392 21.136) 21.182 17.772 ( 0.000 -26.777 11.385) 29.097 17.823 ( 0.000 3.488 -21.015) 21.302 18.148 ( 0.000 -9.667 -8.145) 12.641 18.248 ( 0.000 -12.075 -3.777) 12.652 18.567 ( 0.000 -10.532 8.245) 13.376 18.700 ( 0.000 -14.227 -14.284) 20.160 18.767 ( 0.000 -7.551 -9.413) 12.067 21.436 ( 0.000 11.619 12.750) 17.250 21.489 ( 0.000 13.036 4.774) 13.883 21.847 ( 0.000 0.147 0.311) 0.344 21.916 ( 0.000 -1.128 -4.434) 4.575 ======================= Grid point 208 (72/120) ======================= q-point: ( 0.11 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 5.649 7.746 15.413) 18.151 2.422 ( 3.555 13.582 19.834) 24.300 2.771 ( 2.761 -5.640 -6.461) 9.010 3.118 ( -4.846 -2.766 0.809) 5.638 3.300 ( -2.422 -2.702 1.323) 3.862 3.523 ( 1.559 -5.181 1.396) 5.587 3.683 ( -3.257 3.582 -4.002) 6.281 3.795 ( 2.834 4.578 -9.602) 11.008 3.994 ( -3.092 0.665 -2.206) 3.856 4.170 ( -1.675 -2.148 -2.313) 3.574 4.253 ( -1.943 -4.253 -13.745) 14.519 4.446 ( -2.055 -6.953 -4.016) 8.288 7.070 ( 6.725 13.057 6.026) 15.875 7.208 ( 0.006 7.544 10.596) 13.008 7.674 ( 9.209 0.018 2.506) 9.544 7.710 ( 12.016 3.606 5.327) 13.630 8.212 ( 2.491 -4.105 16.891) 17.561 8.340 ( 10.374 -1.499 16.611) 19.641 8.676 ( 6.924 -0.285 10.363) 12.466 8.872 ( 3.004 4.944 20.763) 21.553 9.198 ( 6.854 -8.902 -4.610) 12.144 9.623 ( -8.932 -4.156 -1.187) 9.922 9.883 ( 4.975 1.447 -12.468) 13.502 10.198 ( 14.708 2.221 -10.467) 18.188 10.839 ( -15.488 3.300 -12.518) 20.186 10.861 ( -3.583 -0.696 4.287) 5.631 11.279 ( -3.820 -3.100 -2.521) 5.528 11.444 ( -0.793 -1.213 3.993) 4.248 11.782 ( 8.421 10.514 -12.584) 18.434 12.433 ( -12.473 -3.232 -16.806) 21.177 12.565 ( -13.902 -0.167 7.922) 16.002 12.687 ( -7.059 -1.937 2.705) 7.804 12.921 ( -9.694 -0.684 4.677) 10.785 13.023 ( -2.640 0.910 3.954) 4.840 13.163 ( 3.968 4.111 -0.502) 5.736 13.403 ( 9.731 -8.988 9.870) 16.519 13.620 ( 8.944 -0.660 -4.421) 9.999 13.852 ( 7.038 2.480 -6.038) 9.598 13.959 ( -2.547 6.133 -7.281) 9.854 14.332 ( 7.605 0.373 0.260) 7.619 14.533 ( 2.804 3.388 -3.622) 5.698 14.923 ( -4.560 -3.472 -8.961) 10.637 15.037 ( -8.601 3.338 -9.580) 13.300 15.271 ( 2.173 8.221 4.464) 9.604 15.464 ( -3.888 0.012 13.779) 14.317 15.933 ( 12.883 7.739 11.115) 18.693 16.153 ( 12.201 10.016 23.082) 27.963 17.042 ( -16.121 13.890 -22.931) 31.283 17.344 ( 3.998 5.168 17.838) 18.997 17.881 ( 8.804 -28.899 7.737) 31.186 17.966 ( 5.592 -4.800 -19.295) 20.654 18.147 ( 3.598 -5.746 -8.390) 10.787 18.289 ( 4.951 -11.159 3.053) 12.584 18.597 ( 0.953 -17.767 5.033) 18.490 18.708 ( -4.533 -6.363 -7.234) 10.648 18.807 ( 8.500 -8.150 -12.330) 17.050 21.388 ( -4.308 11.078 10.754) 16.029 21.436 ( -4.870 13.421 3.160) 14.622 21.785 ( -8.197 0.953 -3.813) 9.091 21.825 ( -5.663 -0.132 -2.048) 6.023 ======================= Grid point 209 (73/120) ======================= q-point: ( 0.22 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 1.339 14.109 7.943) 16.246 2.596 ( 11.588 1.924 17.978) 21.476 2.856 ( 4.737 -3.389 -7.549) 9.535 3.010 ( -4.776 -2.662 -1.383) 5.640 3.201 ( -5.987 -4.988 0.435) 7.805 3.444 ( -7.586 -10.450 -2.325) 13.120 3.657 ( -0.985 3.023 -0.879) 3.299 3.855 ( -3.016 0.348 -3.743) 4.820 3.916 ( 0.310 1.979 -8.682) 8.910 4.125 ( -3.551 -1.318 -7.905) 8.766 4.216 ( -0.244 -0.844 -1.711) 1.924 4.402 ( -1.676 -6.696 -1.280) 7.020 7.243 ( 9.056 12.451 15.642) 21.948 7.304 ( 10.002 17.184 6.595) 20.948 7.875 ( 8.831 -0.143 1.038) 8.893 8.010 ( 14.788 10.299 3.962) 18.451 8.310 ( 8.422 -13.577 22.223) 27.370 8.630 ( 13.190 -4.009 6.078) 15.066 8.742 ( 1.598 5.566 3.535) 6.784 9.009 ( 7.578 -2.094 14.454) 16.454 9.356 ( 2.588 -4.071 1.604) 5.083 9.536 ( 6.092 -2.770 10.093) 12.110 10.002 ( 4.410 0.425 -10.869) 11.737 10.309 ( -16.015 16.281 -8.047) 24.214 10.601 ( 8.524 -12.211 -7.717) 16.772 10.806 ( -2.010 2.769 -2.262) 4.102 11.227 ( -2.875 -12.538 0.414) 12.870 11.393 ( -5.676 -6.274 1.504) 8.593 11.889 ( 2.527 6.448 -12.330) 14.142 12.075 ( -18.533 -1.421 -21.430) 28.369 12.354 ( -6.107 3.455 1.404) 7.155 12.535 ( -4.974 1.199 1.823) 5.432 12.800 ( -1.058 0.717 0.862) 1.542 13.017 ( 0.887 7.452 6.823) 10.143 13.230 ( 1.782 6.188 -0.144) 6.441 13.565 ( 0.641 -3.558 3.323) 4.911 13.696 ( -3.032 -3.076 -1.366) 4.530 13.852 ( 3.719 4.673 -8.682) 10.537 14.068 ( 5.307 7.573 -7.596) 11.967 14.343 ( -1.310 -6.958 -11.514) 13.516 14.514 ( -12.941 6.753 -11.038) 18.300 14.940 ( 4.088 -10.463 -3.583) 11.791 15.021 ( 13.820 2.019 11.355) 18.000 15.233 ( -2.205 27.782 6.860) 28.701 15.504 ( 5.281 -18.267 4.363) 19.509 16.212 ( 9.618 0.185 9.229) 13.331 16.499 ( 19.451 12.901 21.852) 31.973 16.744 ( -7.253 16.832 -10.728) 21.237 17.455 ( 6.217 8.685 16.295) 19.483 17.963 ( -1.460 -14.015 -14.343) 20.107 18.069 ( 7.473 -31.060 6.171) 32.537 18.279 ( 1.438 -8.541 -3.588) 9.375 18.410 ( 4.697 -1.835 -3.943) 6.401 18.591 ( 2.379 -11.088 8.266) 14.033 18.652 ( -0.383 -13.581 3.372) 13.999 18.967 ( 4.948 -8.061 -6.064) 11.235 21.273 ( -6.427 11.491 2.059) 13.326 21.309 ( -6.170 12.427 0.944) 13.907 21.531 ( -13.660 4.772 -8.184) 16.624 21.706 ( -6.568 0.186 -3.789) 7.585 ======================= Grid point 210 (74/120) ======================= q-point: ( 0.33 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( 3.607 12.222 2.308) 12.950 2.799 ( 4.202 -3.066 11.952) 13.035 2.874 ( -2.375 -0.782 -5.749) 6.270 2.981 ( -0.030 -2.511 -6.932) 7.372 3.123 ( 1.784 -3.413 -3.215) 5.017 3.304 ( -3.991 -8.333 3.061) 9.733 3.609 ( -3.416 -1.660 -1.814) 4.209 3.719 ( -7.184 -2.769 -4.480) 8.908 3.917 ( -1.819 3.830 -4.610) 6.263 4.024 ( -5.174 1.893 -9.385) 10.883 4.254 ( 2.733 -5.286 4.611) 7.528 4.376 ( -1.143 -8.299 1.817) 8.572 7.459 ( 11.633 15.582 13.275) 23.545 7.605 ( 18.223 18.527 7.442) 27.032 8.002 ( 2.446 5.343 1.187) 5.995 8.272 ( 9.473 12.678 4.176) 16.368 8.552 ( 13.278 -15.123 20.718) 28.883 8.667 ( -1.989 0.583 -0.671) 2.179 8.957 ( 10.194 -4.623 11.092) 15.758 9.067 ( -2.130 0.161 1.095) 2.400 9.321 ( -2.981 -4.479 10.047) 11.397 9.747 ( -12.846 6.942 -0.873) 14.628 9.841 ( 7.919 -0.773 1.989) 8.202 10.217 ( 6.007 -2.333 -1.442) 6.603 10.755 ( -0.240 -3.606 -9.257) 9.938 10.861 ( 9.044 -4.134 -3.904) 10.683 11.135 ( -9.514 -10.380 -4.513) 14.786 11.217 ( -5.098 -5.970 10.980) 13.498 11.737 ( -8.430 7.199 -13.761) 17.671 11.982 ( 3.126 2.050 -15.803) 16.239 12.267 ( -3.518 -0.069 -6.169) 7.102 12.483 ( -2.262 -2.970 -8.927) 9.676 12.842 ( 4.950 6.056 1.857) 8.038 13.051 ( 2.688 9.557 4.387) 10.854 13.221 ( -2.939 5.872 -1.882) 6.831 13.419 ( -6.963 -3.804 -5.166) 9.468 13.687 ( -1.620 10.875 -4.812) 12.002 13.853 ( -5.493 -7.049 -11.523) 14.582 14.071 ( -7.034 8.871 -7.704) 13.693 14.196 ( -7.205 11.790 -9.240) 16.622 14.480 ( 10.680 -7.288 6.164) 14.324 15.011 ( 1.089 -17.743 4.655) 18.376 15.253 ( 5.296 32.319 -1.607) 32.789 15.375 ( 15.559 -1.013 13.899) 20.887 15.628 ( 6.204 -20.608 0.520) 21.528 16.127 ( -13.322 15.271 -15.195) 25.329 16.860 ( 18.760 2.845 10.289) 21.584 17.011 ( 23.220 9.203 23.911) 34.578 17.591 ( 6.459 2.582 11.823) 13.717 17.915 ( -4.138 -12.777 -8.435) 15.860 18.120 ( -9.855 -10.746 -0.012) 14.581 18.215 ( 4.948 -20.138 6.631) 21.771 18.491 ( 1.269 2.078 -0.262) 2.448 18.622 ( -1.856 -15.617 8.112) 17.695 18.730 ( 6.850 -14.861 17.122) 23.684 18.977 ( -3.884 -9.685 4.098) 11.210 21.135 ( -5.852 14.464 -9.955) 18.508 21.220 ( -2.922 8.583 -4.962) 10.336 21.276 ( -8.915 8.033 -11.563) 16.665 21.553 ( -7.837 0.819 -7.755) 11.055 ======================= Grid point 211 (75/120) ======================= q-point: ( 0.44 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 7.351 8.204 -2.823) 11.372 2.688 ( -8.830 3.272 -4.767) 10.554 2.905 ( 1.476 -6.013 2.122) 6.545 2.937 ( -2.083 -5.430 -0.681) 5.855 3.246 ( 6.053 -0.209 -4.980) 7.841 3.292 ( 1.065 -2.379 0.835) 2.737 3.536 ( -2.249 -5.676 -1.853) 6.381 3.578 ( -5.698 -4.272 -3.545) 7.955 3.891 ( 0.269 5.077 -2.560) 5.692 3.933 ( -3.406 4.436 -4.160) 6.970 4.303 ( 2.026 -9.922 5.031) 11.308 4.345 ( -1.877 -10.276 4.216) 11.265 7.714 ( 12.275 16.831 9.135) 22.746 7.929 ( -5.229 14.279 4.744) 15.929 8.049 ( 18.468 16.227 5.474) 25.186 8.349 ( -4.625 12.954 5.762) 14.913 8.658 ( 2.083 -0.354 -0.609) 2.199 8.764 ( -2.873 -6.208 13.519) 15.151 8.905 ( 3.997 -6.363 2.338) 7.869 9.115 ( -7.821 -10.512 10.407) 16.733 9.267 ( 7.034 2.561 2.471) 7.883 9.464 ( -9.762 0.528 10.625) 14.438 10.108 ( 11.595 -10.237 -3.398) 15.836 10.277 ( -2.822 -8.133 -6.178) 10.596 10.761 ( 2.149 -0.554 -3.390) 4.052 10.864 ( -7.782 -4.023 2.055) 8.998 11.058 ( 5.294 -0.946 -2.102) 5.775 11.159 ( -3.712 -0.853 4.402) 5.821 11.751 ( 8.877 8.175 -6.047) 13.498 11.971 ( -7.673 8.007 -9.293) 14.469 12.224 ( 3.300 -8.061 -10.632) 13.744 12.374 ( -7.975 -6.563 -12.567) 16.267 12.982 ( 6.405 4.599 -2.355) 8.229 13.074 ( -2.955 7.535 -0.613) 8.117 13.220 ( 7.594 6.175 -6.149) 11.559 13.376 ( -0.899 -5.500 -14.895) 15.904 13.554 ( -6.227 9.455 -2.313) 11.555 13.661 ( -11.082 -4.453 -12.100) 17.002 14.006 ( 3.031 16.497 -2.072) 16.900 14.101 ( -4.690 17.314 -2.184) 18.070 14.737 ( 12.058 -14.029 11.842) 21.965 14.944 ( -7.159 -16.777 10.893) 21.246 15.437 ( 11.109 28.926 -7.831) 31.960 15.594 ( 1.929 2.320 3.015) 4.265 15.731 ( 3.798 -12.193 1.246) 12.831 15.854 ( -9.982 9.270 -10.138) 16.981 17.264 ( 18.085 -3.103 6.198) 19.367 17.443 ( 12.484 -2.721 11.430) 17.143 17.655 ( -2.649 -8.526 2.988) 9.415 17.767 ( -6.558 8.901 8.062) 13.682 18.025 ( 3.598 -13.310 8.701) 16.303 18.214 ( -8.577 -4.864 12.738) 16.109 18.488 ( 3.805 -13.517 7.330) 15.840 18.597 ( -3.131 -7.111 6.677) 10.245 18.821 ( 1.925 -15.206 17.702) 23.416 18.865 ( -4.264 -14.156 14.149) 20.464 21.059 ( -0.970 14.138 -16.464) 21.723 21.099 ( -4.767 12.409 -17.478) 21.959 21.267 ( 4.097 4.357 -9.072) 10.866 21.392 ( -7.278 2.178 -10.381) 12.864 ======================= Grid point 216 (76/120) ======================= q-point: ( 0.00 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( 0.000 11.038 9.526) 14.580 2.589 ( 0.000 -9.076 0.965) 9.127 2.734 ( 0.000 16.053 12.585) 20.398 3.011 ( 0.000 -12.011 7.451) 14.135 3.351 ( 0.000 1.896 -5.250) 5.582 3.417 ( 0.000 -4.928 -4.127) 6.428 3.817 ( 0.000 6.274 -1.818) 6.532 3.874 ( 0.000 5.472 -9.803) 11.226 4.031 ( 0.000 -1.627 -6.348) 6.553 4.132 ( 0.000 -8.285 -15.018) 17.151 4.191 ( 0.000 4.845 -2.919) 5.657 4.320 ( 0.000 -7.574 -5.000) 9.076 7.179 ( 0.000 6.169 -0.558) 6.194 7.240 ( 0.000 -0.718 1.783) 1.922 7.595 ( 0.000 1.794 6.664) 6.902 7.604 ( 0.000 0.580 4.463) 4.501 8.146 ( 0.000 5.399 26.772) 27.311 8.339 ( 0.000 -12.864 30.004) 32.645 8.552 ( 0.000 16.229 8.886) 18.502 8.856 ( 0.000 -14.003 -1.033) 14.041 9.120 ( 0.000 14.744 8.579) 17.058 9.439 ( 0.000 -17.344 0.951) 17.370 9.979 ( 0.000 4.510 -6.794) 8.154 10.030 ( 0.000 0.301 -7.853) 7.858 10.878 ( 0.000 1.482 -5.433) 5.632 10.935 ( 0.000 -3.715 -12.451) 12.994 11.494 ( 0.000 2.848 9.040) 9.478 11.515 ( 0.000 0.978 8.438) 8.495 11.949 ( 0.000 22.691 -20.283) 30.434 12.388 ( 0.000 -19.632 -19.844) 27.914 12.668 ( 0.000 -0.941 5.973) 6.047 12.702 ( 0.000 -3.140 7.347) 7.990 12.930 ( 0.000 3.441 -6.585) 7.429 13.077 ( 0.000 -9.448 -7.962) 12.356 13.173 ( 0.000 -0.862 3.207) 3.320 13.186 ( 0.000 -3.133 3.580) 4.757 13.527 ( 0.000 13.677 9.730) 16.785 13.725 ( 0.000 -5.408 7.474) 9.225 14.150 ( 0.000 6.183 -7.043) 9.372 14.235 ( 0.000 -1.589 -1.223) 2.005 14.618 ( 0.000 9.082 0.643) 9.104 14.836 ( 0.000 -11.443 5.362) 12.637 15.208 ( 0.000 0.192 -7.969) 7.971 15.210 ( 0.000 0.944 -13.057) 13.092 15.717 ( 0.000 9.749 20.278) 22.500 15.874 ( 0.000 -4.946 10.579) 11.678 16.441 ( 0.000 33.172 12.849) 35.574 17.134 ( 0.000 -36.438 9.884) 37.755 17.365 ( 0.000 5.640 13.043) 14.210 17.424 ( 0.000 2.532 -9.910) 10.228 17.879 ( 0.000 1.934 -17.862) 17.966 17.934 ( 0.000 -6.613 -1.422) 6.765 18.182 ( 0.000 0.959 -15.524) 15.554 18.302 ( 0.000 -11.819 -6.816) 13.644 18.588 ( 0.000 -0.589 -7.037) 7.061 18.638 ( 0.000 -5.202 -6.700) 8.482 21.659 ( 0.000 10.774 6.753) 12.715 21.704 ( 0.000 8.760 2.876) 9.220 21.816 ( 0.000 -3.952 1.530) 4.238 21.839 ( 0.000 -6.430 0.605) 6.459 ======================= Grid point 217 (77/120) ======================= q-point: ( 0.11 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 5.919 9.706 8.261) 14.053 2.633 ( 3.464 -8.341 0.483) 9.045 2.725 ( -0.124 15.255 11.998) 19.409 2.985 ( -2.340 -10.808 6.892) 13.030 3.283 ( -5.796 1.926 -5.043) 7.920 3.376 ( -4.339 -7.310 -4.589) 9.660 3.792 ( -2.270 6.366 -1.501) 6.923 3.890 ( -0.263 -0.126 -4.963) 4.972 3.997 ( -1.827 3.079 -10.324) 10.927 4.122 ( -0.826 -6.188 -13.843) 15.185 4.202 ( 0.803 3.361 -3.018) 4.588 4.312 ( -0.843 -6.672 -4.285) 7.974 7.274 ( 8.486 7.384 3.012) 11.645 7.324 ( 7.842 2.604 1.579) 8.412 7.682 ( 7.344 1.466 6.825) 10.133 7.730 ( 10.952 -2.077 9.597) 14.709 8.197 ( 3.422 3.374 20.776) 21.325 8.302 ( 2.750 -5.002 22.322) 23.041 8.716 ( 11.513 8.685 9.638) 17.346 8.946 ( 7.422 -10.606 -0.471) 12.953 9.114 ( 0.058 11.439 10.510) 15.534 9.397 ( -3.629 -15.227 3.417) 16.022 10.010 ( 4.113 8.358 -5.882) 11.017 10.156 ( 9.643 -5.897 -5.842) 12.724 10.878 ( -1.081 1.809 -8.551) 8.807 10.902 ( -3.216 0.708 -9.855) 10.391 11.291 ( -16.351 5.390 0.576) 17.226 11.403 ( -8.217 -4.095 4.447) 10.201 11.995 ( 1.091 11.920 -13.162) 17.791 12.249 ( -10.683 -13.420 -18.335) 25.108 12.626 ( -5.683 4.963 7.911) 10.932 12.683 ( -4.743 0.054 4.681) 6.664 12.901 ( -9.010 -1.033 -1.192) 9.147 12.943 ( 4.526 -4.975 0.341) 6.734 13.191 ( 4.243 1.763 -2.004) 5.012 13.301 ( 7.684 -7.025 0.706) 10.435 13.683 ( 9.125 10.046 5.239) 14.548 13.847 ( 7.534 -4.415 3.715) 9.490 14.121 ( -0.768 7.968 -7.552) 11.005 14.255 ( -0.258 -6.146 -9.438) 11.266 14.682 ( 6.457 10.139 8.141) 14.517 14.855 ( 1.088 -5.559 1.996) 6.006 15.079 ( -10.496 1.471 -13.220) 16.944 15.152 ( -4.013 -7.585 -6.698) 10.886 15.720 ( 0.362 14.467 17.655) 22.828 15.931 ( 5.845 -6.810 15.121) 17.584 16.544 ( 9.671 29.280 15.350) 34.446 17.181 ( 4.104 -31.348 9.439) 32.994 17.345 ( -7.446 11.715 -15.999) 21.181 17.484 ( 9.137 2.107 8.040) 12.352 17.831 ( -6.014 -7.139 -13.519) 16.428 17.902 ( 3.622 -12.756 7.061) 15.023 18.270 ( 6.160 3.056 -9.700) 11.890 18.356 ( 2.463 -6.897 -2.174) 7.640 18.626 ( -0.119 -1.120 -7.440) 7.525 18.674 ( 6.735 -5.407 -10.313) 13.452 21.595 ( -5.680 9.672 5.272) 12.393 21.654 ( -4.680 8.358 1.420) 9.683 21.752 ( -6.786 -4.410 -0.450) 8.105 21.785 ( -3.939 -3.867 0.003) 5.520 ======================= Grid point 218 (78/120) ======================= q-point: ( 0.22 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( 4.537 8.720 2.364) 10.110 2.672 ( 2.087 2.486 9.370) 9.917 2.805 ( 7.124 1.493 2.706) 7.765 2.935 ( -1.623 -6.512 3.989) 7.807 3.140 ( -7.024 0.629 -3.907) 8.062 3.241 ( -7.797 -9.041 -3.214) 12.364 3.718 ( -4.773 3.701 -1.027) 6.127 3.803 ( -6.767 -4.452 -2.805) 8.572 4.006 ( 1.096 5.552 -10.823) 12.213 4.094 ( -2.038 -2.922 -11.774) 12.301 4.212 ( -0.163 1.657 -1.703) 2.382 4.284 ( -1.801 -5.255 -2.166) 5.963 7.501 ( 12.590 12.364 11.357) 20.985 7.561 ( 14.542 7.438 0.650) 16.347 7.855 ( 8.793 -0.598 7.192) 11.375 7.976 ( 10.906 -12.824 19.993) 26.137 8.315 ( 10.512 12.688 11.648) 20.178 8.519 ( 14.436 -7.785 11.849) 20.234 8.913 ( 2.331 11.669 -0.406) 11.906 9.029 ( 2.738 2.845 7.627) 8.588 9.235 ( 7.833 -6.907 6.719) 12.418 9.314 ( -0.126 -14.697 8.433) 16.945 10.134 ( 6.575 10.984 -2.135) 12.978 10.361 ( 5.967 -12.005 -2.991) 13.735 10.675 ( -12.871 17.652 -11.720) 24.791 10.908 ( 1.693 3.571 -5.448) 6.730 10.991 ( -11.209 -6.513 -4.583) 13.750 11.196 ( -9.932 -13.585 -0.116) 16.829 11.971 ( -2.592 2.831 -10.883) 11.540 12.024 ( -9.650 -2.935 -15.693) 18.654 12.443 ( -7.835 5.068 -1.442) 9.442 12.525 ( -7.646 -2.833 -1.242) 8.248 12.907 ( 5.869 9.461 1.371) 11.218 13.075 ( 5.645 -3.611 5.566) 8.711 13.285 ( 3.058 1.884 -2.009) 4.116 13.412 ( 1.509 -8.627 1.242) 8.845 13.765 ( -0.963 11.400 0.746) 11.465 13.962 ( 3.772 -2.925 -4.078) 6.278 14.145 ( -0.447 2.046 -4.740) 5.182 14.224 ( -0.448 -4.109 -9.503) 10.363 14.718 ( -5.710 14.094 -5.857) 16.296 14.881 ( -2.488 5.058 -7.756) 9.588 14.982 ( 10.230 -6.931 8.166) 14.812 15.125 ( 1.669 -18.239 0.561) 18.324 15.759 ( 3.906 23.887 10.769) 26.492 16.106 ( 10.243 -11.555 13.618) 20.589 16.821 ( 15.777 21.347 18.227) 32.200 17.116 ( -11.063 21.518 -15.889) 28.946 17.328 ( 8.328 -27.573 11.093) 30.866 17.572 ( -5.043 -23.205 -13.006) 27.075 17.816 ( 9.569 10.573 13.271) 19.480 18.070 ( 8.715 -12.308 8.058) 17.099 18.345 ( 1.012 -2.896 1.631) 3.474 18.376 ( -0.003 -7.031 4.683) 8.447 18.646 ( 1.277 6.518 -7.674) 10.149 18.801 ( 3.727 -8.745 -7.680) 12.221 21.450 ( -7.325 7.219 0.506) 10.297 21.513 ( -8.431 4.411 -2.828) 9.926 21.581 ( -8.371 3.050 -4.394) 9.934 21.676 ( -6.319 -3.624 -3.604) 8.127 ======================= Grid point 219 (79/120) ======================= q-point: ( 0.33 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( 1.120 9.573 0.896) 9.680 2.740 ( 2.117 -3.613 7.197) 8.326 2.882 ( -3.134 2.080 -2.005) 4.262 2.937 ( -1.637 -2.511 -5.126) 5.938 3.075 ( 4.806 -0.742 -1.718) 5.157 3.136 ( 1.210 -7.316 3.972) 8.413 3.597 ( -6.678 0.990 -1.567) 6.930 3.649 ( -7.647 -3.853 -3.967) 9.437 4.006 ( -0.912 4.229 -5.600) 7.077 4.045 ( -2.008 0.051 -8.350) 8.588 4.186 ( -2.276 -1.037 0.205) 2.509 4.236 ( -2.883 -5.686 0.386) 6.386 7.780 ( 13.746 16.760 11.974) 24.763 7.912 ( 18.489 10.141 5.776) 21.865 8.049 ( 9.803 -0.572 7.650) 12.448 8.219 ( 13.407 -16.529 20.553) 29.587 8.563 ( 9.606 14.965 8.764) 19.825 8.746 ( -0.317 3.475 4.639) 5.805 8.851 ( 1.178 -3.529 10.232) 10.888 8.979 ( -9.990 -9.049 4.567) 14.232 9.301 ( 6.247 5.700 3.436) 9.128 9.542 ( 12.682 -16.500 -1.238) 20.848 10.058 ( -19.821 14.126 -13.547) 27.856 10.241 ( -6.042 -2.416 -3.611) 7.442 10.712 ( 8.674 3.022 -3.490) 9.826 10.825 ( -1.214 -3.874 4.574) 6.116 10.965 ( 1.816 -2.968 -4.900) 6.010 11.060 ( -1.747 -9.027 4.131) 10.079 11.858 ( -4.003 5.341 -13.064) 14.670 11.946 ( 0.183 -3.849 -12.829) 13.395 12.331 ( -4.495 4.634 -9.320) 11.338 12.414 ( -4.451 -3.922 -9.943) 11.578 13.008 ( 2.566 9.596 -0.858) 9.970 13.147 ( 2.082 -2.131 0.553) 3.030 13.269 ( -3.702 3.574 -2.149) 5.577 13.391 ( -2.024 -5.156 -0.429) 5.556 13.754 ( -0.060 9.226 -1.282) 9.314 13.962 ( -3.576 2.400 -2.061) 4.774 14.047 ( -5.481 -2.501 -5.209) 7.964 14.235 ( -0.890 -8.768 1.762) 8.987 14.666 ( 2.947 21.328 -4.245) 21.945 14.906 ( 2.809 7.901 -1.858) 8.589 15.171 ( 5.353 -22.210 -0.386) 22.849 15.225 ( 7.821 -14.173 5.452) 17.081 15.892 ( 8.825 31.141 1.872) 32.421 16.317 ( 8.331 -5.707 1.636) 10.230 16.890 ( -8.296 8.677 -9.228) 15.142 17.115 ( 5.749 -1.924 6.453) 8.854 17.498 ( 5.977 -11.989 6.555) 14.914 17.564 ( 12.347 -14.133 12.742) 22.684 18.047 ( 10.081 9.975 12.888) 19.163 18.151 ( -1.199 5.200 5.485) 7.652 18.355 ( 0.355 -11.529 9.467) 14.922 18.411 ( 3.461 -15.578 14.618) 21.641 18.617 ( -4.592 7.833 -0.573) 9.097 18.789 ( -5.172 -9.544 1.193) 10.921 21.322 ( -4.607 5.072 -7.638) 10.261 21.352 ( -5.510 2.428 -8.236) 10.202 21.419 ( -6.961 7.989 -9.591) 14.292 21.533 ( -7.030 -3.305 -8.330) 11.390 ======================= Grid point 220 (80/120) ======================= q-point: ( 0.44 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( 3.450 7.149 -0.915) 7.991 2.750 ( -2.832 2.120 1.626) 3.894 2.799 ( -0.975 -3.907 -1.651) 4.352 2.845 ( -4.071 -4.406 -0.718) 6.042 3.242 ( 8.186 0.702 -1.537) 8.359 3.268 ( 8.163 -0.867 -1.779) 8.399 3.446 ( -7.081 -2.057 -1.959) 7.629 3.484 ( -8.073 -4.725 -4.017) 10.180 3.997 ( 0.703 5.531 -1.896) 5.889 4.021 ( -0.877 4.571 -2.074) 5.095 4.139 ( -1.061 -6.402 1.024) 6.570 4.168 ( -3.117 -7.545 1.523) 8.304 8.062 ( 12.640 18.266 11.581) 25.050 8.206 ( 3.347 11.199 8.980) 14.740 8.316 ( 16.682 8.918 13.043) 22.976 8.466 ( 5.024 -13.615 18.381) 23.419 8.600 ( -1.257 7.760 4.551) 9.083 8.678 ( -5.374 0.783 8.591) 10.164 8.739 ( -3.694 -9.673 6.142) 12.039 8.878 ( -5.533 -12.890 8.286) 16.292 9.436 ( 7.116 14.628 -7.367) 17.857 9.648 ( -13.649 17.160 -11.173) 24.608 9.800 ( 9.648 -19.116 -7.703) 22.756 10.029 ( -11.797 -18.095 -11.978) 24.699 10.846 ( 4.065 7.739 6.672) 10.997 10.883 ( 1.443 5.488 1.796) 5.952 10.994 ( 3.605 -4.869 2.486) 6.549 11.067 ( -1.244 -8.220 3.734) 9.113 11.907 ( 8.994 7.528 -9.911) 15.355 12.029 ( 7.492 -4.159 -12.865) 15.458 12.169 ( -10.846 3.822 -8.993) 14.598 12.263 ( -10.382 -5.150 -11.836) 16.565 13.080 ( 5.618 5.427 -6.351) 10.067 13.164 ( 0.208 -0.252 -7.947) 7.953 13.233 ( -0.533 0.126 -7.200) 7.221 13.309 ( -5.639 -4.274 -9.123) 11.546 13.742 ( 0.865 14.174 1.863) 14.322 13.833 ( -6.909 17.342 2.844) 18.883 14.055 ( 5.024 -13.342 5.724) 15.363 14.170 ( -4.932 -13.318 6.721) 15.712 14.791 ( 7.144 20.880 -1.048) 22.093 14.909 ( -3.210 16.392 -0.091) 16.704 15.281 ( 4.755 -25.499 -1.488) 25.981 15.327 ( 1.160 -21.263 1.779) 21.369 16.119 ( 12.219 34.978 -5.798) 37.502 16.345 ( -6.998 29.136 -9.841) 31.540 16.849 ( 5.503 -30.078 -2.489) 30.679 17.027 ( -9.145 -31.016 -5.664) 32.829 17.790 ( 15.031 9.819 18.596) 25.848 17.875 ( 17.290 -1.667 16.076) 23.668 18.023 ( -7.612 14.492 11.838) 20.201 18.212 ( -8.307 -0.366 14.210) 16.464 18.326 ( 6.459 -3.657 11.568) 13.745 18.473 ( -0.189 -8.448 11.264) 14.082 18.523 ( -1.428 -8.455 10.477) 13.539 18.612 ( -9.619 -10.606 10.803) 17.936 21.261 ( -0.597 6.399 -14.186) 15.574 21.300 ( -3.951 7.874 -13.923) 16.476 21.318 ( 1.523 0.452 -11.458) 11.568 21.398 ( -5.567 -2.042 -11.805) 13.210 ======================= Grid point 252 (81/120) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 0.000 0.000 21.414) 21.414 2.717 ( 0.000 0.000 20.572) 20.572 2.791 ( 0.000 0.000 3.090) 3.090 2.942 ( 0.000 0.000 -8.969) 8.969 3.161 ( 0.000 0.000 -2.986) 2.986 3.402 ( 0.000 0.000 -14.963) 14.963 3.830 ( 0.000 0.000 0.287) 0.287 3.830 ( 0.000 0.000 0.137) 0.137 4.025 ( 0.000 0.000 -3.580) 3.580 4.118 ( 0.000 0.000 -10.397) 10.397 4.241 ( 0.000 0.000 11.747) 11.747 4.560 ( 0.000 0.000 -5.343) 5.343 6.926 ( 0.000 0.000 17.125) 17.125 7.390 ( 0.000 0.000 7.151) 7.151 7.498 ( 0.000 0.000 -7.785) 7.785 7.512 ( 0.000 0.000 -1.297) 1.297 8.508 ( 0.000 0.000 13.826) 13.826 8.625 ( 0.000 0.000 24.151) 24.151 8.696 ( 0.000 0.000 10.984) 10.984 9.081 ( 0.000 0.000 -17.727) 17.727 9.376 ( 0.000 0.000 -6.163) 6.163 9.422 ( 0.000 0.000 -15.101) 15.101 9.605 ( 0.000 0.000 35.962) 35.962 10.004 ( 0.000 0.000 -6.340) 6.340 10.649 ( 0.000 0.000 -33.556) 33.556 10.651 ( 0.000 0.000 -19.057) 19.057 11.262 ( 0.000 0.000 20.220) 20.220 11.429 ( 0.000 0.000 4.953) 4.953 11.567 ( 0.000 0.000 -1.356) 1.356 12.289 ( 0.000 0.000 -27.298) 27.298 12.811 ( 0.000 0.000 9.037) 9.037 13.001 ( 0.000 0.000 11.210) 11.210 13.099 ( 0.000 0.000 -7.562) 7.562 13.188 ( 0.000 0.000 2.653) 2.653 13.215 ( 0.000 0.000 13.972) 13.972 13.268 ( 0.000 0.000 4.191) 4.191 13.621 ( 0.000 0.000 -11.732) 11.732 13.741 ( 0.000 0.000 -10.257) 10.257 14.108 ( 0.000 0.000 1.887) 1.887 14.134 ( 0.000 0.000 22.696) 22.696 14.374 ( 0.000 0.000 -3.813) 3.813 14.684 ( 0.000 0.000 -4.394) 4.394 14.894 ( 0.000 0.000 -11.386) 11.386 15.191 ( 0.000 0.000 -18.244) 18.244 15.314 ( 0.000 0.000 17.876) 17.876 16.020 ( 0.000 0.000 31.631) 31.631 16.364 ( 0.000 0.000 -30.720) 30.720 16.525 ( 0.000 0.000 33.344) 33.344 17.251 ( 0.000 0.000 -28.000) 28.000 17.760 ( 0.000 0.000 23.166) 23.166 17.763 ( 0.000 0.000 -28.360) 28.360 18.468 ( 0.000 0.000 6.294) 6.294 18.611 ( 0.000 0.000 -14.845) 14.845 18.717 ( 0.000 0.000 -1.878) 1.878 18.976 ( 0.000 0.000 5.305) 5.305 19.178 ( 0.000 0.000 -4.897) 4.897 21.271 ( 0.000 0.000 9.571) 9.571 21.489 ( 0.000 0.000 13.951) 13.951 21.661 ( 0.000 0.000 -9.861) 9.861 21.803 ( 0.000 0.000 -3.064) 3.064 ======================= Grid point 253 (82/120) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( -5.238 0.000 18.864) 19.578 2.721 ( -2.095 0.000 -4.882) 5.312 2.784 ( 6.102 0.000 18.956) 19.914 3.115 ( 8.362 0.000 -2.426) 8.706 3.195 ( 3.076 0.000 -2.490) 3.958 3.463 ( 4.951 0.000 -14.388) 15.216 3.717 ( -8.791 0.000 1.610) 8.938 3.759 ( -4.550 0.000 -0.296) 4.560 3.974 ( -4.638 0.000 -3.615) 5.881 4.065 ( -4.941 0.000 -10.213) 11.346 4.306 ( 5.056 0.000 10.478) 11.634 4.563 ( 0.450 0.000 -3.767) 3.794 6.981 ( 4.773 0.000 17.191) 17.841 7.362 ( -1.563 0.000 13.593) 13.683 7.586 ( 7.145 0.000 -9.290) 11.719 7.590 ( 7.025 0.000 -1.237) 7.133 8.619 ( -1.687 0.000 9.311) 9.463 8.651 ( 13.254 0.000 13.269) 18.755 8.715 ( 1.746 0.000 8.539) 8.716 9.124 ( 4.392 0.000 -13.203) 13.915 9.292 ( -0.700 0.000 -1.421) 1.584 9.629 ( 2.455 0.000 34.416) 34.503 9.665 ( 14.490 0.000 -18.576) 23.559 10.008 ( 1.928 0.000 1.495) 2.440 10.617 ( -2.977 0.000 -15.621) 15.902 10.782 ( 11.480 0.000 -29.106) 31.288 11.201 ( -5.465 0.000 13.120) 14.213 11.480 ( 4.269 0.000 2.799) 5.105 11.557 ( -0.728 0.000 -0.141) 0.742 12.072 ( -19.373 0.000 -27.114) 33.324 12.772 ( -16.416 0.000 12.579) 20.681 12.808 ( 0.066 0.000 10.258) 10.259 13.024 ( -13.916 0.000 7.257) 15.694 13.107 ( -1.655 0.000 3.317) 3.707 13.179 ( -3.821 0.000 -3.355) 5.085 13.247 ( 1.377 0.000 6.802) 6.940 13.583 ( -2.967 0.000 -15.305) 15.590 13.744 ( -3.236 0.000 -12.172) 12.595 14.091 ( -2.651 0.000 -3.420) 4.327 14.343 ( 16.244 0.000 21.181) 26.692 14.400 ( -0.718 0.000 -7.491) 7.525 14.718 ( 4.257 0.000 3.966) 5.818 14.941 ( -2.321 0.000 5.358) 5.839 15.241 ( 2.347 0.000 2.629) 3.524 15.255 ( 9.747 0.000 -14.971) 17.864 16.123 ( -14.698 0.000 -26.832) 30.594 16.296 ( 18.170 0.000 29.058) 34.271 16.595 ( 6.292 0.000 32.981) 33.575 17.475 ( 16.980 0.000 -27.505) 32.323 17.732 ( -1.640 0.000 22.494) 22.554 17.803 ( 3.801 0.000 -25.895) 26.173 18.501 ( -3.595 0.000 -13.858) 14.317 18.680 ( 12.242 0.000 5.674) 13.493 18.852 ( 11.270 0.000 -2.557) 11.557 18.995 ( 1.794 0.000 5.142) 5.446 19.188 ( 0.969 0.000 -4.602) 4.703 21.157 ( -10.675 0.000 7.919) 13.292 21.430 ( -5.528 0.000 13.179) 14.291 21.508 ( -14.100 0.000 -9.278) 16.879 21.744 ( -5.490 0.000 -3.744) 6.645 ======================= Grid point 254 (83/120) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( -5.249 0.000 13.549) 14.530 2.698 ( -1.220 0.000 -10.019) 10.093 2.953 ( 9.466 0.000 15.084) 17.808 3.139 ( -5.219 0.000 1.511) 5.433 3.280 ( 4.785 0.000 -1.063) 4.901 3.422 ( -10.055 0.000 -8.830) 13.382 3.637 ( 0.956 0.000 -2.386) 2.570 3.739 ( 2.509 0.000 -2.831) 3.783 3.847 ( -7.101 0.000 -3.877) 8.090 3.922 ( -8.285 0.000 -9.584) 12.668 4.441 ( 8.296 0.000 9.454) 12.578 4.598 ( 3.174 0.000 -0.427) 3.203 7.099 ( 6.152 0.000 15.804) 16.959 7.369 ( 2.889 0.000 19.946) 20.154 7.716 ( 3.486 0.000 -12.260) 12.746 7.779 ( 10.427 0.000 -1.361) 10.515 8.560 ( -3.109 0.000 -5.462) 6.285 8.729 ( -2.503 0.000 -6.008) 6.509 9.015 ( 19.648 0.000 14.350) 24.330 9.281 ( 10.638 0.000 -0.739) 10.664 9.313 ( 3.238 0.000 8.949) 9.516 9.728 ( 7.767 0.000 27.698) 28.766 9.952 ( 10.378 0.000 -4.286) 11.229 10.156 ( 13.600 0.000 1.983) 13.744 10.547 ( -3.051 0.000 -10.495) 10.929 11.056 ( -7.966 0.000 -0.335) 7.973 11.070 ( 14.611 0.000 -25.237) 29.162 11.517 ( -1.521 0.000 1.513) 2.145 11.565 ( -27.014 0.000 -24.182) 36.256 11.587 ( 2.667 0.000 1.799) 3.217 12.451 ( -12.021 0.000 10.846) 16.191 12.714 ( -13.916 0.000 4.054) 14.495 12.819 ( 0.642 0.000 11.312) 11.330 12.984 ( -6.246 0.000 5.590) 8.382 13.206 ( 2.757 0.000 -3.904) 4.780 13.229 ( -3.802 0.000 6.443) 7.481 13.535 ( -0.751 0.000 -18.723) 18.738 13.608 ( -7.901 0.000 -10.198) 12.901 13.973 ( -8.232 0.000 -10.990) 13.731 14.164 ( -17.762 0.000 -16.057) 23.944 14.559 ( -3.634 0.000 16.643) 17.035 14.891 ( 7.376 0.000 15.004) 16.719 15.016 ( 21.222 0.000 16.852) 27.099 15.426 ( 7.987 0.000 -8.356) 11.559 15.601 ( 20.843 0.000 -12.704) 24.409 15.799 ( -10.588 0.000 -21.241) 23.733 16.746 ( 6.475 0.000 31.926) 32.576 16.777 ( 25.141 0.000 29.760) 38.958 17.739 ( 3.747 0.000 20.730) 21.066 17.830 ( 15.259 0.000 -23.054) 27.646 17.897 ( 2.757 0.000 -24.083) 24.240 18.396 ( -2.377 0.000 -11.131) 11.382 19.020 ( 17.576 0.000 7.624) 19.158 19.050 ( 3.440 0.000 4.652) 5.785 19.104 ( 10.907 0.000 -0.347) 10.912 19.218 ( 1.782 0.000 -3.692) 4.100 20.843 ( -18.616 0.000 2.845) 18.832 21.111 ( -22.641 0.000 -9.567) 24.579 21.274 ( -8.754 0.000 10.452) 13.633 21.582 ( -9.723 0.000 -5.566) 11.203 ======================= Grid point 255 (84/120) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -1.328 0.000 7.132) 7.255 2.620 ( -7.092 0.000 -13.189) 14.975 3.016 ( -3.987 0.000 1.231) 4.173 3.151 ( 8.895 0.000 10.774) 13.971 3.218 ( -8.502 0.000 -5.925) 10.363 3.375 ( 3.703 0.000 1.349) 3.941 3.641 ( -0.049 0.000 -0.169) 0.176 3.699 ( -6.554 0.000 -4.869) 8.165 3.747 ( -7.590 0.000 -8.499) 11.395 3.757 ( -1.431 0.000 -4.036) 4.283 4.633 ( 8.603 0.000 7.029) 11.109 4.686 ( 4.622 0.000 2.642) 5.324 7.234 ( 6.829 0.000 11.199) 13.117 7.497 ( 9.421 0.000 17.381) 19.770 7.702 ( -4.491 0.000 -11.051) 11.929 8.002 ( 10.184 0.000 -0.324) 10.189 8.499 ( -3.146 0.000 -10.738) 11.190 8.549 ( -13.841 0.000 -18.826) 23.367 9.386 ( 14.852 0.000 20.399) 25.232 9.484 ( 12.742 0.000 23.216) 26.483 9.539 ( 12.631 0.000 12.206) 17.565 9.956 ( 12.637 0.000 14.668) 19.361 10.080 ( 2.243 0.000 18.913) 19.046 10.507 ( 17.595 0.000 -9.752) 20.117 10.517 ( 0.702 0.000 -10.979) 11.002 10.849 ( -14.406 0.000 -9.376) 17.188 11.049 ( -18.202 0.000 -18.537) 25.980 11.313 ( 4.875 0.000 -24.332) 24.815 11.471 ( -1.396 0.000 6.359) 6.510 11.576 ( -2.092 0.000 3.177) 3.804 12.329 ( -0.578 0.000 1.189) 1.322 12.503 ( -5.456 0.000 -1.856) 5.763 12.807 ( -1.866 0.000 5.883) 6.172 12.890 ( -3.136 0.000 2.858) 4.243 13.078 ( -8.970 0.000 4.576) 10.070 13.265 ( 3.741 0.000 -0.317) 3.755 13.459 ( -7.934 0.000 -13.039) 15.263 13.560 ( 1.905 0.000 -12.746) 12.887 13.724 ( -12.341 0.000 -6.921) 14.149 13.878 ( -8.793 0.000 -13.172) 15.837 14.393 ( -6.487 0.000 8.901) 11.014 14.948 ( -8.874 0.000 -9.454) 12.966 15.486 ( 22.457 0.000 17.337) 28.371 15.523 ( 8.562 0.000 4.765) 9.799 15.804 ( 5.294 0.000 -3.597) 6.400 16.033 ( 17.933 0.000 -9.735) 20.405 16.817 ( 1.307 0.000 25.917) 25.950 17.304 ( 24.499 0.000 24.199) 34.435 17.722 ( -13.393 0.000 -14.905) 20.039 18.010 ( 17.083 0.000 14.042) 22.113 18.058 ( 5.585 0.000 -13.034) 14.180 18.542 ( 14.924 0.000 -6.234) 16.174 19.135 ( 4.455 0.000 3.916) 5.932 19.235 ( 0.805 0.000 9.210) 9.245 19.257 ( 1.675 0.000 -1.840) 2.488 19.350 ( 11.948 0.000 9.863) 15.493 20.423 ( -19.962 0.000 -7.405) 21.292 20.622 ( -22.430 0.000 -14.426) 26.669 21.100 ( -6.867 0.000 4.765) 8.358 21.356 ( -11.347 0.000 -7.625) 13.671 ======================= Grid point 256 (85/120) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 5.263 0.000 -1.118) 5.380 2.425 ( -9.975 0.000 -8.826) 13.319 2.999 ( 1.781 0.000 -2.770) 3.293 3.074 ( -5.257 0.000 -4.951) 7.222 3.308 ( 6.033 0.000 7.084) 9.305 3.400 ( -2.090 0.000 4.702) 5.146 3.606 ( -1.354 0.000 -6.908) 7.039 3.633 ( -3.345 0.000 -7.038) 7.792 3.655 ( 1.614 0.000 0.493) 1.688 3.705 ( -2.883 0.000 -1.563) 3.279 4.755 ( 2.987 0.000 5.566) 6.317 4.764 ( 2.135 0.000 4.849) 5.298 7.389 ( 8.004 0.000 3.795) 8.859 7.561 ( -8.124 0.000 -4.562) 9.318 7.761 ( 15.480 0.000 8.343) 17.586 8.085 ( -10.353 0.000 4.486) 11.283 8.312 ( 0.597 0.000 -18.358) 18.368 8.417 ( -5.150 0.000 -11.437) 12.543 9.646 ( 9.744 0.000 24.352) 26.230 9.726 ( 3.357 0.000 22.497) 22.746 9.783 ( 14.321 0.000 25.325) 29.093 10.025 ( -7.702 0.000 23.459) 24.691 10.178 ( 8.804 0.000 -0.642) 8.827 10.424 ( -15.263 0.000 -12.406) 19.669 10.656 ( 6.146 0.000 -10.983) 12.586 10.821 ( -8.027 0.000 -13.775) 15.943 10.857 ( 15.853 0.000 -5.242) 16.697 11.167 ( -13.318 0.000 -4.575) 14.082 11.532 ( 3.580 0.000 -2.578) 4.411 11.570 ( 0.143 0.000 -6.667) 6.669 12.352 ( 2.697 0.000 -3.473) 4.397 12.434 ( -3.800 0.000 -5.988) 7.092 12.782 ( 0.260 0.000 0.290) 0.390 12.822 ( -3.159 0.000 -0.556) 3.207 12.997 ( 3.894 0.000 -2.637) 4.703 13.206 ( -13.749 0.000 -12.739) 18.743 13.386 ( 7.486 0.000 3.962) 8.470 13.534 ( -5.156 0.000 0.279) 5.163 13.633 ( 1.748 0.000 -4.022) 4.385 13.724 ( -6.218 0.000 -8.879) 10.840 14.398 ( 7.533 0.000 -6.675) 10.065 14.656 ( -15.329 0.000 -15.345) 21.690 15.740 ( 9.189 0.000 9.382) 13.133 15.855 ( -1.393 0.000 4.293) 4.514 15.919 ( 18.197 0.000 16.476) 24.548 16.190 ( -5.113 0.000 8.031) 9.521 16.959 ( 14.907 0.000 2.698) 15.149 17.351 ( -19.993 0.000 -11.432) 23.031 17.763 ( 18.511 0.000 14.385) 23.443 18.041 ( -7.359 0.000 0.881) 7.411 18.468 ( 23.675 0.000 14.967) 28.010 18.811 ( 0.106 0.000 0.170) 0.201 19.187 ( 3.525 0.000 20.933) 21.228 19.223 ( 3.587 0.000 3.147) 4.772 19.271 ( -0.733 0.000 1.158) 1.370 19.420 ( -7.754 0.000 17.970) 19.571 20.135 ( -3.942 0.000 -23.294) 23.625 20.246 ( -12.482 0.000 -22.470) 25.704 21.031 ( 0.934 0.000 -3.017) 3.158 21.138 ( -8.667 0.000 -7.720) 11.607 ======================= Grid point 261 (86/120) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 0.000 7.148 18.544) 19.874 2.616 ( 0.000 -6.745 15.782) 17.163 2.759 ( 0.000 -2.566 3.187) 4.092 3.062 ( 0.000 8.943 -4.626) 10.068 3.211 ( 0.000 4.430 -2.051) 4.882 3.410 ( 0.000 1.161 -14.400) 14.447 3.740 ( 0.000 -8.678 0.477) 8.691 3.774 ( 0.000 -5.077 -1.073) 5.189 4.027 ( 0.000 -0.298 -1.478) 1.508 4.098 ( 0.000 -2.215 -9.590) 9.842 4.221 ( 0.000 -2.021 6.749) 7.046 4.499 ( 0.000 -5.915 -5.866) 8.331 6.973 ( 0.000 4.282 12.786) 13.484 7.326 ( 0.000 -4.210 -0.109) 4.211 7.561 ( 0.000 4.749 1.037) 4.861 7.577 ( 0.000 5.480 0.348) 5.491 8.482 ( 0.000 -1.969 13.905) 14.043 8.620 ( 0.000 0.287 24.644) 24.646 8.718 ( 0.000 2.248 7.329) 7.666 9.066 ( 0.000 -2.545 -12.031) 12.298 9.424 ( 0.000 3.013 -2.358) 3.827 9.490 ( 0.000 6.212 -13.562) 14.917 9.590 ( 0.000 1.280 28.028) 28.057 9.926 ( 0.000 -6.450 -3.464) 7.321 10.699 ( 0.000 3.247 -17.596) 17.893 10.748 ( 0.000 9.951 -30.664) 32.238 11.239 ( 0.000 -3.345 17.299) 17.619 11.454 ( 0.000 2.828 3.894) 4.813 11.539 ( 0.000 -1.517 1.020) 1.828 12.242 ( 0.000 -4.669 -28.399) 28.780 12.915 ( 0.000 7.574 8.617) 11.473 12.997 ( 0.000 -8.529 7.953) 11.662 13.049 ( 0.000 6.410 12.270) 13.843 13.194 ( 0.000 1.242 -0.139) 1.250 13.267 ( 0.000 -4.200 6.797) 7.991 13.356 ( 0.000 13.954 -4.164) 14.562 13.452 ( 0.000 -13.207 -11.482) 17.500 13.622 ( 0.000 -11.881 -4.177) 12.594 14.053 ( 0.000 -3.302 4.577) 5.644 14.196 ( 0.000 3.341 9.435) 10.009 14.402 ( 0.000 4.300 -0.625) 4.345 14.767 ( 0.000 6.746 -3.041) 7.400 14.816 ( 0.000 -5.482 -16.002) 16.915 15.298 ( 0.000 4.422 -14.116) 14.792 15.451 ( 0.000 16.220 18.893) 24.900 16.050 ( 0.000 2.896 32.178) 32.308 16.469 ( 0.000 10.539 -30.295) 32.076 16.501 ( 0.000 -1.878 30.875) 30.932 17.291 ( 0.000 3.773 -26.349) 26.618 17.737 ( 0.000 -2.205 22.468) 22.576 17.750 ( 0.000 -1.226 -27.989) 28.016 18.370 ( 0.000 -11.078 9.787) 14.782 18.517 ( 0.000 -10.034 -15.217) 18.228 18.661 ( 0.000 -5.923 -4.096) 7.202 18.834 ( 0.000 -11.553 4.521) 12.406 18.994 ( 0.000 -17.085 -3.068) 17.359 21.377 ( 0.000 9.728 8.208) 12.728 21.537 ( 0.000 4.617 12.589) 13.409 21.716 ( 0.000 4.797 -8.622) 9.867 21.821 ( 0.000 1.647 -2.904) 3.339 ======================= Grid point 262 (87/120) ======================= q-point: ( 0.11 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( -5.575 4.369 15.777) 17.294 2.680 ( 2.456 -2.076 1.592) 3.588 2.774 ( 3.962 -1.273 12.499) 13.174 3.102 ( 0.940 0.390 -1.950) 2.200 3.290 ( 6.080 7.022 -1.568) 9.420 3.480 ( 5.588 1.740 -13.208) 14.447 3.655 ( -6.717 -6.338 0.565) 9.252 3.697 ( -4.976 -5.271 -0.831) 7.296 3.973 ( -5.022 -0.564 -2.932) 5.843 4.050 ( -4.488 -1.763 -9.739) 10.868 4.270 ( 4.020 -3.304 7.144) 8.838 4.498 ( 0.138 -6.181 -4.360) 7.565 7.043 ( 6.155 5.600 13.148) 15.560 7.348 ( 1.984 -1.092 6.970) 7.328 7.637 ( 6.869 6.419 -0.834) 9.439 7.663 ( 7.204 5.305 -0.046) 8.947 8.579 ( 6.071 -4.246 9.876) 12.346 8.643 ( 5.161 0.390 15.326) 16.176 8.718 ( 0.036 0.841 5.160) 5.229 9.153 ( 7.281 0.463 -8.957) 11.552 9.336 ( -3.003 3.412 2.549) 5.211 9.615 ( 5.744 1.249 18.354) 19.272 9.675 ( 9.614 0.761 -5.933) 11.323 10.014 ( 6.497 0.211 0.603) 6.529 10.544 ( -7.212 -2.860 -17.567) 19.204 10.863 ( 3.985 4.405 -18.980) 19.888 11.214 ( -0.880 -0.043 6.757) 6.814 11.502 ( 3.038 2.004 1.545) 3.954 11.536 ( 0.336 -0.554 1.239) 1.398 12.044 ( -17.600 -3.142 -27.316) 32.647 12.735 ( -14.680 -0.300 10.729) 18.185 12.899 ( -9.151 -4.758 7.042) 12.489 12.993 ( -2.259 6.594 10.062) 12.241 13.074 ( -8.993 0.959 5.083) 10.374 13.230 ( -2.274 -5.666 2.628) 6.647 13.351 ( 0.364 14.289 -4.385) 14.951 13.547 ( 4.885 0.952 -12.708) 13.648 13.727 ( 3.380 -5.737 -9.133) 11.302 13.967 ( -3.633 -7.940 5.635) 10.392 14.286 ( 5.573 -3.828 5.878) 8.959 14.430 ( -2.550 2.884 -8.677) 9.493 14.815 ( 8.005 0.461 0.471) 8.032 14.876 ( 6.266 -0.843 -3.436) 7.196 15.276 ( -11.113 13.056 18.996) 25.589 15.420 ( 11.513 6.156 -12.783) 18.272 16.227 ( -16.880 9.538 -26.182) 32.579 16.303 ( 18.860 1.611 31.375) 36.643 16.613 ( 8.823 2.214 28.102) 29.538 17.500 ( 15.349 2.198 -26.377) 30.596 17.720 ( -0.838 -0.967 21.610) 21.648 17.793 ( 4.608 -0.700 -25.226) 25.653 18.449 ( -2.342 -5.323 -11.532) 12.916 18.528 ( 9.156 -16.773 4.943) 19.738 18.784 ( 9.985 -7.360 -5.398) 13.528 18.858 ( 2.973 -11.126 5.903) 12.941 19.009 ( 1.650 -16.216 -2.022) 16.425 21.273 ( -9.727 10.551 6.591) 15.792 21.474 ( -5.907 4.378 11.596) 13.730 21.577 ( -12.735 6.013 -8.064) 16.229 21.761 ( -5.535 1.536 -3.475) 6.713 ======================= Grid point 263 (88/120) ======================= q-point: ( 0.22 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( -4.784 5.354 11.056) 13.183 2.698 ( -0.299 0.265 -9.196) 9.205 2.925 ( 8.863 -2.319 13.441) 16.267 3.076 ( -3.388 -3.863 1.816) 5.450 3.307 ( -5.274 -0.537 0.561) 5.331 3.471 ( -4.846 5.101 -6.210) 9.385 3.590 ( 0.222 -4.989 -1.587) 5.240 3.719 ( 5.507 -1.023 -4.781) 7.364 3.838 ( -7.305 -1.256 -3.914) 8.382 3.922 ( -7.261 -0.218 -9.931) 12.304 4.378 ( 6.615 -5.736 7.150) 11.304 4.521 ( 2.392 -7.109 -1.243) 7.603 7.204 ( 8.651 9.697 13.128) 18.472 7.415 ( 4.752 4.470 16.368) 17.621 7.784 ( 4.447 6.447 -6.640) 10.268 7.844 ( 10.644 6.970 -0.160) 12.724 8.586 ( -2.614 2.204 -4.039) 5.292 8.738 ( 0.726 1.584 -4.840) 5.144 8.925 ( 17.349 -8.515 16.427) 25.364 9.309 ( 1.243 -1.079 7.987) 8.155 9.337 ( 9.012 4.234 0.498) 9.970 9.788 ( 11.195 5.800 22.490) 25.783 9.896 ( 9.319 -6.148 -6.808) 13.077 10.122 ( 4.040 -0.687 6.403) 7.602 10.507 ( 4.852 -4.622 -13.838) 15.375 10.848 ( -5.068 -7.835 -5.670) 10.919 11.276 ( 5.809 5.603 -16.630) 18.484 11.498 ( -1.842 -1.246 3.385) 4.050 11.577 ( -0.985 0.423 0.048) 1.073 11.598 ( -20.570 2.260 -22.683) 30.705 12.434 ( -12.045 -1.117 8.957) 15.052 12.650 ( -12.596 -4.576 3.321) 13.806 12.904 ( -4.940 -4.502 5.170) 8.450 12.981 ( -0.913 12.583 11.153) 16.839 13.199 ( -1.263 -4.935 -1.164) 5.226 13.344 ( -1.620 13.709 -3.891) 14.342 13.593 ( -5.430 6.185 -5.433) 9.862 13.648 ( -1.285 4.296 -12.258) 13.052 13.901 ( -4.598 -7.038 -8.828) 12.190 14.152 ( -19.324 0.619 -15.990) 25.089 14.537 ( 15.400 -8.829 13.354) 22.213 14.896 ( -3.654 10.179 8.849) 13.974 15.167 ( 13.694 -3.987 1.494) 14.341 15.236 ( 14.082 1.647 12.031) 18.595 15.698 ( 11.411 2.390 -10.107) 15.430 15.869 ( -13.612 6.740 -19.812) 24.965 16.707 ( 16.922 0.318 27.118) 31.966 16.892 ( 18.446 7.364 28.479) 34.721 17.731 ( 3.535 -0.598 16.812) 17.190 17.771 ( 7.418 -3.982 -20.028) 21.726 17.969 ( 11.022 5.234 -21.729) 24.920 18.342 ( -3.966 -5.490 -10.544) 12.532 18.744 ( 7.724 -23.048 5.233) 24.864 18.954 ( 3.657 -15.130 -5.816) 16.617 19.003 ( 11.422 -7.701 8.567) 16.223 19.108 ( 8.672 -8.798 1.346) 12.426 20.992 ( -16.439 13.127 1.751) 21.110 21.207 ( -20.326 8.439 -7.947) 23.399 21.321 ( -9.248 4.472 8.462) 13.308 21.599 ( -9.664 1.522 -5.340) 11.145 ======================= Grid point 264 (89/120) ======================= q-point: ( 0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -1.074 6.282 5.828) 8.636 2.642 ( -5.967 2.233 -12.299) 13.851 2.982 ( -2.989 -3.055 1.497) 4.528 3.116 ( 7.881 -3.026 7.711) 11.434 3.165 ( -6.514 -4.390 -0.232) 7.858 3.412 ( -1.421 1.791 -0.696) 2.390 3.591 ( -0.743 -4.026 -0.735) 4.160 3.684 ( -6.710 -1.607 -4.020) 7.985 3.772 ( -2.943 2.186 -5.041) 6.233 3.792 ( -1.719 3.057 -7.301) 8.100 4.532 ( 6.983 -9.334 5.712) 12.982 4.590 ( 3.614 -8.919 1.658) 9.765 7.383 ( 8.088 14.253 10.593) 19.514 7.566 ( 10.187 7.141 15.399) 19.797 7.801 ( -2.428 9.380 -6.521) 11.679 8.075 ( 10.549 7.771 -0.998) 13.140 8.520 ( -3.460 1.666 -8.000) 8.874 8.632 ( -11.458 9.084 -18.735) 23.766 9.271 ( 13.438 -11.124 19.803) 26.391 9.396 ( 10.043 -7.852 19.412) 23.224 9.547 ( 8.596 -0.716 8.889) 12.386 10.017 ( 2.692 -4.766 17.298) 18.143 10.044 ( 11.416 3.876 15.848) 19.912 10.245 ( 6.693 -12.882 -9.168) 17.170 10.647 ( 0.483 3.317 -6.085) 6.948 10.754 ( 3.788 -6.895 -14.351) 16.366 11.106 ( -16.779 4.203 -12.293) 21.220 11.400 ( -5.186 2.608 -12.787) 14.043 11.504 ( 3.367 6.479 -5.228) 8.981 11.538 ( -0.601 -3.551 2.461) 4.362 12.272 ( -4.028 -5.374 0.381) 6.726 12.444 ( -6.707 -5.280 -3.739) 9.319 12.854 ( 0.381 1.140 4.256) 4.423 12.952 ( -2.094 9.562 5.709) 11.331 13.123 ( -7.504 2.823 1.336) 8.128 13.279 ( -3.043 1.234 -8.685) 9.285 13.468 ( -2.258 3.346 -0.059) 4.037 13.687 ( -0.048 10.811 -8.115) 13.518 13.747 ( -13.184 6.563 -12.112) 19.068 13.794 ( -7.416 -6.550 -10.924) 14.739 14.671 ( -1.848 22.921 6.050) 23.778 14.964 ( 8.219 -4.701 7.270) 11.938 15.328 ( 0.245 -2.320 -5.190) 5.690 15.531 ( 8.152 -11.520 0.614) 14.126 15.721 ( 9.904 2.404 3.988) 10.944 15.974 ( 9.332 -9.665 -2.256) 13.624 16.971 ( 9.323 12.508 19.457) 24.939 17.334 ( 21.490 3.139 22.265) 31.103 17.751 ( -9.181 2.643 -14.070) 17.007 17.899 ( 11.944 -7.272 10.785) 17.659 18.135 ( 5.915 3.843 -7.164) 10.054 18.446 ( 13.192 -9.934 -5.917) 17.542 18.855 ( 3.208 -23.123 3.806) 23.653 18.964 ( -2.232 -17.273 -1.061) 17.449 19.251 ( 9.027 -8.274 9.967) 15.789 19.277 ( 6.743 -7.023 7.097) 12.048 20.632 ( -16.388 17.450 -6.749) 24.872 20.770 ( -19.802 12.887 -12.599) 26.776 21.140 ( -7.100 3.769 3.724) 8.859 21.376 ( -11.124 1.762 -7.526) 13.546 ======================= Grid point 265 (90/120) ======================= q-point: ( 0.44 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 4.757 6.079 -0.990) 7.783 2.470 ( -8.956 4.459 -7.825) 12.701 2.973 ( 1.828 -2.499 -1.662) 3.514 3.043 ( -4.646 -3.087 -3.063) 6.364 3.268 ( 6.082 -3.519 5.172) 8.725 3.370 ( -3.407 -2.697 2.696) 5.114 3.559 ( -1.271 -4.079 -4.830) 6.449 3.575 ( -3.121 -3.045 -4.642) 6.368 3.741 ( 0.791 5.516 -1.622) 5.803 3.770 ( -1.455 5.235 -2.112) 5.829 4.635 ( 2.714 -11.225 4.778) 12.498 4.648 ( 1.409 -10.837 3.820) 11.576 7.542 ( 7.405 14.729 5.218) 17.292 7.689 ( -5.960 12.272 -2.224) 13.823 7.858 ( 15.496 10.027 7.227) 19.822 8.178 ( -8.743 9.427 3.811) 13.410 8.379 ( -1.439 6.927 -17.820) 19.173 8.460 ( -4.392 4.847 -10.251) 12.161 9.486 ( 8.771 -14.198 20.234) 26.228 9.612 ( -1.438 -12.394 15.631) 20.000 9.701 ( 14.676 -9.026 19.773) 26.226 9.976 ( -8.691 -6.334 22.982) 25.374 10.215 ( 4.781 0.942 4.938) 6.938 10.275 ( -2.287 -9.096 -11.516) 14.853 10.677 ( 6.747 2.246 -6.927) 9.927 10.840 ( -8.668 2.263 -9.404) 12.988 10.964 ( 10.931 6.250 -3.600) 13.096 11.202 ( -11.407 2.525 -1.388) 11.765 11.552 ( 3.211 1.919 -3.452) 5.090 11.590 ( 0.731 3.425 -11.561) 12.080 12.242 ( 1.395 -9.629 -4.357) 10.660 12.326 ( -5.537 -8.810 -7.062) 12.576 12.894 ( 0.738 4.954 0.219) 5.013 12.915 ( -1.328 10.799 1.059) 10.932 13.010 ( 2.217 2.207 -3.730) 4.868 13.169 ( -8.629 -1.919 -10.736) 13.907 13.477 ( 1.877 1.883 0.400) 2.688 13.523 ( -4.147 -1.441 -2.007) 4.827 13.690 ( -2.286 4.407 -5.147) 7.151 13.698 ( -1.739 12.040 -4.784) 13.071 14.701 ( 5.969 26.682 -5.011) 27.797 14.894 ( -10.665 21.163 -11.329) 26.267 15.455 ( 10.065 -20.300 10.616) 25.022 15.598 ( -2.185 -21.373 6.216) 22.365 15.975 ( 10.157 -2.658 8.677) 13.621 16.085 ( 0.234 -11.667 2.704) 11.979 17.168 ( 11.170 17.653 5.787) 21.677 17.447 ( -14.037 9.142 -6.793) 18.076 17.773 ( 15.711 0.505 12.915) 20.345 18.006 ( -4.873 -5.409 1.549) 7.443 18.395 ( 19.272 -7.021 13.494) 24.551 18.743 ( 9.039 -24.589 2.146) 26.286 18.772 ( -9.363 -7.454 4.678) 12.849 18.913 ( -2.721 -20.897 1.526) 21.128 19.338 ( 2.340 -4.997 12.991) 14.114 19.375 ( 0.337 -8.360 14.277) 16.548 20.389 ( -5.031 20.245 -17.125) 26.990 20.446 ( -9.953 17.207 -18.624) 27.240 21.065 ( 0.579 3.145 -3.499) 4.741 21.164 ( -8.280 2.359 -7.811) 11.625 ======================= Grid point 270 (91/120) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 0.000 -1.402 12.247) 12.327 2.665 ( 0.000 0.460 0.948) 1.054 2.774 ( 0.000 8.400 16.154) 18.207 3.202 ( 0.000 3.338 -1.450) 3.639 3.282 ( 0.000 1.171 -1.012) 1.548 3.460 ( 0.000 1.779 -10.462) 10.612 3.542 ( 0.000 -7.340 -2.234) 7.673 3.692 ( 0.000 -1.084 -4.068) 4.210 4.005 ( 0.000 -2.072 -2.028) 2.900 4.023 ( 0.000 -5.715 -8.656) 10.372 4.166 ( 0.000 -3.242 1.071) 3.415 4.358 ( 0.000 -7.868 -6.302) 10.081 7.062 ( 0.000 4.327 4.057) 5.932 7.253 ( 0.000 -3.368 -3.579) 4.915 7.669 ( 0.000 5.431 4.864) 7.291 7.673 ( 0.000 4.179 5.116) 6.606 8.463 ( 0.000 0.830 13.999) 14.023 8.669 ( 0.000 4.771 21.497) 22.020 8.766 ( 0.000 1.878 2.630) 3.231 8.965 ( 0.000 -7.850 -5.112) 9.368 9.417 ( 0.000 -1.021 23.263) 23.285 9.598 ( 0.000 2.024 -7.510) 7.778 9.740 ( 0.000 11.003 -0.597) 11.020 9.833 ( 0.000 -0.530 2.894) 2.942 10.733 ( 0.000 0.466 -13.310) 13.318 11.021 ( 0.000 16.415 -21.069) 26.709 11.109 ( 0.000 -8.048 5.686) 9.854 11.539 ( 0.000 5.344 2.156) 5.763 11.556 ( 0.000 3.264 4.207) 5.324 12.116 ( 0.000 -8.595 -30.414) 31.605 12.836 ( 0.000 -7.037 5.887) 9.175 12.956 ( 0.000 -3.975 9.369) 10.177 13.062 ( 0.000 -13.872 4.671) 14.637 13.142 ( 0.000 -8.464 -3.218) 9.054 13.236 ( 0.000 1.597 1.275) 2.044 13.280 ( 0.000 -2.440 -1.977) 3.141 13.459 ( 0.000 6.092 3.005) 6.793 13.660 ( 0.000 14.794 -6.083) 15.996 14.043 ( 0.000 1.918 8.608) 8.819 14.198 ( 0.000 -2.205 1.551) 2.696 14.561 ( 0.000 11.022 1.734) 11.158 14.745 ( 0.000 -0.950 -16.474) 16.502 14.879 ( 0.000 3.696 -3.453) 5.059 15.287 ( 0.000 -5.720 -5.780) 8.132 15.862 ( 0.000 23.111 14.959) 27.530 16.121 ( 0.000 4.119 30.359) 30.637 16.495 ( 0.000 2.922 25.405) 25.572 16.747 ( 0.000 17.222 -26.521) 31.622 17.374 ( 0.000 3.722 -23.296) 23.592 17.689 ( 0.000 -2.033 18.928) 19.036 17.724 ( 0.000 -1.103 -26.479) 26.502 17.974 ( 0.000 -29.076 9.478) 30.582 18.283 ( 0.000 -12.328 -3.477) 12.809 18.444 ( 0.000 -18.203 -12.246) 21.938 18.646 ( 0.000 -7.318 -1.328) 7.437 18.671 ( 0.000 -11.413 2.606) 11.706 21.586 ( 0.000 10.610 5.503) 11.953 21.650 ( 0.000 6.549 9.038) 11.161 21.803 ( 0.000 3.378 -5.012) 6.044 21.851 ( 0.000 1.019 -2.174) 2.401 ======================= Grid point 271 (92/120) ======================= q-point: ( 0.11 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( -1.085 2.208 8.932) 9.265 2.682 ( 1.416 0.217 -1.859) 2.347 2.793 ( 2.782 6.026 16.573) 17.853 3.124 ( -4.636 1.245 -0.525) 4.829 3.350 ( 0.771 -4.962 3.588) 6.172 3.480 ( -3.697 -9.227 -3.159) 10.430 3.545 ( 7.147 5.394 -9.573) 13.108 3.652 ( -2.733 2.623 -5.691) 6.837 3.943 ( -5.656 -2.681 -3.063) 6.969 3.989 ( -3.121 -4.566 -9.150) 10.691 4.197 ( 2.527 -3.756 1.906) 4.912 4.356 ( -0.070 -7.687 -5.080) 9.214 7.160 ( 9.076 5.838 4.732) 11.783 7.329 ( 7.006 -0.888 -0.263) 7.067 7.769 ( 7.981 5.495 6.842) 11.862 7.802 ( 11.225 8.836 4.193) 14.888 8.500 ( 4.506 -2.529 12.591) 13.610 8.673 ( 1.264 2.074 16.155) 16.337 8.750 ( -1.246 2.308 0.344) 2.646 9.078 ( 9.268 -7.598 -3.363) 12.447 9.380 ( -2.460 1.711 17.005) 17.267 9.646 ( 3.407 -3.300 -4.133) 6.291 9.761 ( 5.619 10.739 10.865) 16.277 10.024 ( 13.646 1.377 -5.835) 14.905 10.573 ( -13.934 5.152 -12.726) 19.561 10.941 ( -6.196 5.256 -6.478) 10.391 11.131 ( 2.350 -8.347 -1.351) 8.776 11.516 ( -2.862 -0.103 3.207) 4.299 11.618 ( 4.028 7.107 -4.592) 9.371 11.948 ( -13.938 -6.597 -27.803) 31.793 12.729 ( -13.812 -1.392 6.884) 15.495 12.787 ( -5.367 -3.655 6.983) 9.536 12.988 ( -13.299 -3.503 0.867) 13.780 13.085 ( 0.216 -5.268 -0.778) 5.329 13.226 ( 3.144 0.766 7.782) 8.428 13.462 ( 9.177 -7.758 -3.791) 12.600 13.581 ( 9.536 4.546 0.248) 10.567 13.748 ( 5.565 15.375 -9.222) 18.772 13.923 ( -8.042 2.828 8.373) 11.949 14.203 ( -0.058 -4.746 0.270) 4.754 14.529 ( -6.389 7.305 -11.586) 15.114 14.704 ( -1.976 -2.945 -13.995) 14.438 14.973 ( 10.922 2.898 10.243) 15.252 15.376 ( 7.404 -7.515 -1.643) 10.677 15.678 ( -11.030 22.225 15.033) 29.011 16.301 ( 5.574 0.775 17.250) 18.145 16.523 ( -0.056 16.989 -1.637) 17.068 16.707 ( 7.462 8.579 11.159) 15.931 17.517 ( 8.444 -2.348 -21.916) 23.604 17.710 ( 1.730 0.047 15.887) 15.981 17.797 ( 8.756 1.701 -22.469) 24.175 18.055 ( 6.584 -29.204 7.776) 30.930 18.296 ( 0.296 -10.526 -6.096) 12.167 18.528 ( 6.300 -17.614 -10.620) 21.511 18.656 ( 2.094 -8.957 2.494) 9.530 18.727 ( 5.891 -10.423 1.886) 12.120 21.498 ( -8.208 11.349 4.096) 14.592 21.582 ( -6.365 6.184 8.234) 12.106 21.690 ( -10.558 4.646 -5.189) 12.649 21.789 ( -5.680 0.856 -2.531) 6.277 ======================= Grid point 272 (93/120) ======================= q-point: ( 0.22 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( -2.745 7.425 5.484) 9.630 2.713 ( 1.117 0.938 -6.957) 7.108 2.902 ( 6.615 1.000 11.813) 13.576 3.026 ( -4.419 -1.088 2.575) 5.229 3.234 ( -8.926 -6.490 4.079) 11.766 3.434 ( -2.127 -9.705 1.552) 10.056 3.585 ( -2.286 4.685 -6.203) 8.103 3.729 ( 6.521 1.363 -9.518) 11.617 3.798 ( -6.840 -1.933 -2.534) 7.547 3.907 ( -4.218 -1.243 -10.056) 10.975 4.259 ( 3.402 -5.587 2.828) 7.127 4.365 ( 1.069 -8.009 -2.476) 8.451 7.414 ( 14.343 10.502 6.364) 18.882 7.520 ( 10.462 5.499 7.431) 13.961 7.928 ( 6.198 8.089 6.515) 12.095 8.069 ( 12.849 15.579 2.235) 20.317 8.637 ( -0.665 3.161 -1.348) 3.500 8.710 ( 10.997 -11.700 17.412) 23.685 8.799 ( 5.457 2.800 0.478) 6.152 9.249 ( 2.782 -5.782 4.308) 7.728 9.382 ( 5.363 0.296 4.118) 6.768 9.707 ( 2.475 -11.690 -0.298) 11.952 9.933 ( 6.301 8.518 7.482) 12.971 10.242 ( -3.254 12.912 6.184) 14.681 10.377 ( 10.040 -7.717 -13.884) 18.791 10.789 ( -7.532 1.808 -2.126) 8.032 11.187 ( 1.477 -12.038 -3.136) 12.527 11.436 ( -3.905 -7.780 2.065) 8.946 11.632 ( -8.731 3.719 -17.522) 19.927 11.665 ( -4.666 4.946 -13.470) 15.089 12.415 ( -14.468 -0.652 4.593) 15.193 12.575 ( -13.800 -3.293 0.316) 14.191 12.852 ( 0.469 1.064 4.679) 4.821 13.120 ( 2.519 -0.683 -3.770) 4.585 13.231 ( -2.329 8.165 7.031) 11.024 13.573 ( -5.942 -5.264 -3.171) 8.548 13.645 ( -2.681 13.520 -1.669) 13.884 13.740 ( 0.755 -3.001 -3.206) 4.456 13.923 ( 4.732 17.076 -5.184) 18.462 14.191 ( -9.867 -1.179 -10.147) 14.202 14.377 ( 5.231 -0.425 3.172) 6.132 14.782 ( 9.715 -12.924 -10.723) 19.401 15.275 ( 13.887 1.411 12.716) 18.882 15.452 ( -4.132 20.528 14.271) 25.340 15.561 ( 4.545 -12.166 0.467) 12.996 16.114 ( -14.888 16.452 -17.019) 27.963 16.747 ( 16.209 2.604 17.067) 23.681 17.023 ( 18.718 5.709 21.720) 29.235 17.656 ( 6.032 -8.706 -14.813) 18.210 17.752 ( 2.372 1.581 14.018) 14.305 18.065 ( 14.050 2.989 -16.694) 22.024 18.178 ( 0.961 -15.017 -4.072) 15.589 18.279 ( 2.229 -14.652 2.264) 14.992 18.633 ( 3.364 -14.227 -6.950) 16.188 18.788 ( 10.224 -13.790 8.795) 19.288 18.907 ( 9.621 -11.721 0.124) 15.164 21.263 ( -13.564 13.338 0.039) 19.023 21.375 ( -15.291 7.847 -2.933) 17.436 21.423 ( -11.305 5.310 2.854) 12.812 21.625 ( -9.666 0.649 -4.655) 10.748 ======================= Grid point 273 (94/120) ======================= q-point: ( 0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( -0.354 9.509 3.036) 9.989 2.702 ( -3.100 3.540 -9.872) 10.936 2.922 ( -2.725 -2.606 1.991) 4.264 3.061 ( -2.993 -4.554 -3.208) 6.323 3.068 ( 3.233 -2.748 12.671) 13.362 3.382 ( -2.667 -5.554 3.541) 7.106 3.521 ( -3.771 -2.398 -6.112) 7.571 3.632 ( -7.242 -3.920 -4.633) 9.448 3.836 ( 0.124 4.108 -4.005) 5.739 3.853 ( 1.764 3.169 -6.685) 7.605 4.332 ( 3.202 -9.793 3.172) 10.780 4.394 ( 1.314 -10.042 -0.011) 10.128 7.706 ( 11.195 16.321 9.103) 21.785 7.764 ( 14.462 12.924 9.464) 21.581 8.023 ( 2.900 12.577 3.136) 13.282 8.313 ( 10.231 16.952 -0.266) 19.802 8.577 ( -2.664 4.636 -3.697) 6.500 8.846 ( -3.760 8.519 -10.158) 13.780 9.007 ( 12.101 -13.042 14.409) 22.895 9.228 ( 0.678 -8.531 12.538) 15.180 9.456 ( -2.588 -8.214 4.322) 9.636 9.805 ( 6.566 -18.722 -6.417) 20.852 9.916 ( -0.346 -5.283 11.528) 12.686 10.272 ( -2.277 0.595 4.354) 4.950 10.587 ( 8.633 0.367 -3.548) 9.341 10.777 ( 8.932 6.033 -2.578) 11.082 11.119 ( -7.364 -3.837 1.302) 8.405 11.388 ( -4.296 -6.375 5.146) 9.251 11.479 ( 0.663 1.930 -11.818) 11.993 11.649 ( 1.126 5.254 -16.730) 17.572 12.164 ( -9.123 -4.178 -2.797) 10.417 12.330 ( -9.342 -5.992 -7.456) 13.370 12.896 ( 2.477 4.278 3.839) 6.259 13.142 ( -2.123 1.889 -6.302) 6.913 13.167 ( -2.366 6.797 5.220) 8.891 13.300 ( -12.684 1.660 -4.688) 13.624 13.655 ( -3.193 14.562 0.756) 14.927 13.668 ( -6.117 -3.624 -5.903) 9.241 13.922 ( -2.899 13.818 -5.586) 15.184 14.048 ( 0.849 19.796 -7.598) 21.221 14.661 ( 16.271 -14.252 11.104) 24.314 15.017 ( 10.348 -17.683 -4.369) 20.949 15.307 ( -2.863 29.674 7.001) 30.623 15.583 ( 7.892 -4.283 6.700) 11.203 15.661 ( 4.246 -21.315 2.411) 21.867 15.819 ( -11.470 18.533 -15.006) 26.461 17.096 ( 16.012 -4.536 12.853) 21.028 17.387 ( 13.674 -3.905 9.909) 17.332 17.736 ( 1.521 0.439 4.587) 4.853 17.873 ( 8.893 1.318 6.918) 11.343 18.082 ( -4.542 -6.730 -3.713) 8.928 18.313 ( 9.213 -1.228 -2.489) 9.622 18.444 ( 9.433 -12.734 1.441) 15.913 18.681 ( 0.892 -11.567 -2.084) 11.787 19.003 ( 8.726 -16.403 10.303) 21.245 19.069 ( 5.142 -13.680 4.797) 15.382 20.970 ( -13.263 15.642 -6.180) 21.419 21.031 ( -15.351 12.808 -9.294) 22.047 21.220 ( -7.966 3.722 1.225) 8.878 21.405 ( -10.765 0.666 -7.296) 13.022 ======================= Grid point 274 (95/120) ======================= q-point: ( 0.44 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 3.668 9.461 -0.424) 10.156 2.587 ( -6.509 7.218 -5.139) 10.994 2.912 ( 1.372 -3.601 0.271) 3.863 2.963 ( -3.376 -5.005 0.557) 6.063 3.203 ( 6.158 -2.444 1.500) 6.793 3.314 ( -4.203 -2.673 0.722) 5.033 3.460 ( -1.107 -6.165 -4.784) 7.881 3.499 ( -4.786 -4.999 -4.612) 8.317 3.854 ( 1.858 6.022 -0.953) 6.374 3.880 ( -0.116 5.977 -1.565) 6.180 4.384 ( 1.781 -13.167 3.094) 13.643 4.406 ( -0.267 -12.702 1.994) 12.860 7.891 ( 7.193 19.572 8.621) 22.564 7.992 ( -0.722 18.131 2.087) 18.265 8.139 ( 15.045 18.137 4.919) 24.073 8.426 ( -5.216 14.978 3.177) 16.175 8.550 ( 1.798 10.278 -10.464) 14.777 8.647 ( -9.046 14.426 -11.275) 20.422 9.156 ( 5.803 -18.734 14.666) 24.490 9.293 ( -5.526 -19.035 7.292) 21.120 9.461 ( 11.881 -13.955 12.777) 22.342 9.733 ( -11.115 -15.600 9.167) 21.235 10.061 ( 7.786 -13.982 -1.356) 16.061 10.165 ( -3.823 -11.166 -2.532) 12.070 10.776 ( 6.876 8.991 3.980) 11.998 10.892 ( -4.076 4.401 0.112) 6.000 11.063 ( 7.738 3.471 4.535) 9.617 11.242 ( -7.874 1.188 4.090) 8.952 11.608 ( 7.441 3.591 -8.453) 11.820 11.687 ( 0.819 5.062 -17.985) 18.702 12.046 ( -0.967 -9.131 -6.865) 11.464 12.150 ( -8.437 -8.577 -9.983) 15.634 12.953 ( 3.602 2.069 -0.332) 4.167 13.043 ( -5.048 2.049 -2.441) 5.970 13.122 ( -2.274 3.208 -4.535) 6.002 13.131 ( -3.866 -0.514 -9.477) 10.249 13.545 ( -2.349 7.408 0.196) 7.774 13.572 ( -3.907 12.496 2.528) 13.335 13.963 ( 4.378 19.080 -1.786) 19.658 14.041 ( -2.287 20.418 -4.043) 20.940 14.971 ( 12.186 -19.094 11.265) 25.298 15.126 ( -1.592 -21.957 6.302) 22.899 15.318 ( 5.031 34.668 -3.210) 35.178 15.493 ( -10.446 26.621 -9.168) 30.031 15.749 ( 3.644 -21.684 -0.244) 21.989 15.777 ( 1.547 -15.559 -0.276) 15.638 17.376 ( 10.236 -10.282 5.137) 15.391 17.510 ( -1.782 -16.194 -1.425) 16.354 17.796 ( 4.518 7.773 8.387) 12.295 17.893 ( -4.458 8.269 3.906) 10.174 18.221 ( 13.571 -8.324 11.405) 19.584 18.417 ( -1.955 -2.152 6.785) 7.381 18.597 ( 5.027 -10.112 3.745) 11.897 18.666 ( -1.738 -7.263 0.951) 7.528 19.118 ( 2.250 -16.867 12.137) 20.901 19.125 ( 0.937 -15.674 11.358) 19.379 20.767 ( -4.951 17.084 -12.444) 21.708 20.789 ( -6.926 16.564 -13.411) 22.409 21.126 ( -0.370 2.400 -4.842) 5.416 21.206 ( -7.463 1.256 -8.199) 11.158 ======================= Grid point 279 (96/120) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 0.000 3.983 8.021) 8.955 2.636 ( 0.000 -2.679 3.149) 4.134 2.975 ( 0.000 10.127 11.684) 15.462 3.150 ( 0.000 -7.606 5.861) 9.602 3.262 ( 0.000 -0.424 -3.885) 3.908 3.325 ( 0.000 -6.527 -5.889) 8.791 3.665 ( 0.000 10.625 -7.933) 13.260 3.765 ( 0.000 6.612 -3.646) 7.550 3.879 ( 0.000 -8.505 -9.405) 12.680 3.926 ( 0.000 -6.491 -5.266) 8.358 4.139 ( 0.000 1.438 -1.964) 2.434 4.218 ( 0.000 -6.174 -5.224) 8.088 7.134 ( 0.000 3.263 -2.096) 3.879 7.193 ( 0.000 -2.918 -4.332) 5.223 7.734 ( 0.000 1.973 6.776) 7.057 7.741 ( 0.000 1.582 6.474) 6.664 8.542 ( 0.000 7.506 13.398) 15.358 8.722 ( 0.000 -8.777 9.356) 12.829 8.769 ( 0.000 4.477 9.516) 10.517 8.829 ( 0.000 -3.018 -2.537) 3.943 9.446 ( 0.000 3.808 22.557) 22.876 9.541 ( 0.000 -5.352 10.385) 11.683 9.907 ( 0.000 4.444 -0.437) 4.465 9.909 ( 0.000 4.914 -4.368) 6.575 10.756 ( 0.000 3.264 -4.483) 5.545 10.891 ( 0.000 -10.196 7.716) 12.786 11.437 ( 0.000 21.743 -27.971) 35.428 11.619 ( 0.000 1.526 0.903) 1.773 11.636 ( 0.000 4.541 2.865) 5.370 11.877 ( 0.000 -16.660 -29.230) 33.645 12.751 ( 0.000 -1.355 2.423) 2.776 12.811 ( 0.000 -7.457 3.029) 8.049 12.859 ( 0.000 -3.601 0.269) 3.611 12.935 ( 0.000 -9.540 -5.237) 10.883 13.242 ( 0.000 0.313 2.546) 2.565 13.252 ( 0.000 -0.052 3.209) 3.209 13.723 ( 0.000 12.796 5.437) 13.903 13.838 ( 0.000 2.021 -1.798) 2.705 14.089 ( 0.000 2.352 8.225) 8.554 14.142 ( 0.000 -3.121 2.842) 4.221 14.793 ( 0.000 5.252 -13.626) 14.603 14.806 ( 0.000 14.154 0.285) 14.157 14.887 ( 0.000 -2.900 -6.790) 7.383 15.088 ( 0.000 -13.791 -0.564) 13.803 16.178 ( 0.000 6.391 18.305) 19.389 16.192 ( 0.000 2.620 24.997) 25.133 16.744 ( 0.000 25.000 17.381) 30.448 17.096 ( 0.000 17.581 -19.256) 26.074 17.344 ( 0.000 -33.868 11.700) 35.832 17.357 ( 0.000 -7.454 -15.509) 17.208 17.696 ( 0.000 2.685 -0.037) 2.685 17.718 ( 0.000 0.382 -22.049) 22.052 18.071 ( 0.000 -7.880 2.259) 8.198 18.098 ( 0.000 -12.410 -8.953) 15.303 18.545 ( 0.000 -2.925 -0.590) 2.984 18.546 ( 0.000 -2.890 -2.869) 4.072 21.757 ( 0.000 6.664 2.802) 7.229 21.768 ( 0.000 5.091 4.216) 6.610 21.829 ( 0.000 -0.960 -0.535) 1.099 21.843 ( 0.000 -2.232 -0.049) 2.233 ======================= Grid point 280 (97/120) ======================= q-point: ( 0.11 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 1.874 4.251 5.542) 7.232 2.660 ( 2.062 -2.449 1.774) 3.660 2.967 ( -0.418 9.753 11.819) 15.330 3.130 ( -2.092 -3.681 6.818) 8.025 3.199 ( -4.832 -3.288 -2.818) 6.489 3.295 ( -3.185 -8.600 -3.734) 9.902 3.704 ( 2.626 8.845 -8.504) 12.548 3.753 ( -1.431 6.577 -5.791) 8.879 3.857 ( -3.486 -6.503 -5.938) 9.471 3.883 ( -1.697 -6.249 -7.584) 9.973 4.157 ( 1.600 0.653 -1.638) 2.381 4.224 ( 0.549 -5.613 -4.487) 7.207 7.254 ( 11.060 3.733 -1.388) 11.756 7.306 ( 10.395 -1.755 -3.082) 10.983 7.868 ( 11.503 4.413 9.527) 15.574 7.909 ( 15.019 1.256 7.248) 16.724 8.525 ( -0.373 5.417 13.315) 14.379 8.654 ( -2.892 -5.265 13.142) 14.450 8.820 ( 2.677 4.782 -0.466) 5.500 8.925 ( 7.094 -6.661 -1.859) 9.907 9.434 ( -1.149 4.181 19.181) 19.665 9.539 ( -0.523 -6.306 10.815) 12.530 9.964 ( 7.058 8.249 0.947) 10.898 10.045 ( 10.006 -0.501 -5.483) 11.421 10.694 ( -6.388 7.514 -5.381) 11.235 10.887 ( -0.099 -11.604 5.599) 12.884 11.178 ( -16.069 14.776 -12.379) 25.095 11.444 ( -13.143 -9.346 -1.957) 16.246 11.741 ( 2.526 4.738 -10.769) 12.034 11.821 ( -4.830 -5.120 -21.584) 22.703 12.719 ( -7.911 1.855 0.412) 8.136 12.762 ( -4.799 -0.574 2.937) 5.655 12.912 ( -3.882 -1.719 2.420) 4.887 12.993 ( 10.377 -7.704 3.585) 13.412 13.156 ( -1.685 0.971 -0.288) 1.966 13.264 ( 5.667 -9.050 -3.178) 11.141 13.831 ( 6.582 13.124 5.273) 15.600 13.955 ( 7.382 3.872 -5.631) 10.059 13.988 ( -6.736 2.974 7.854) 10.765 14.101 ( -3.752 -5.948 0.194) 7.035 14.702 ( -5.134 9.737 -12.064) 16.331 14.766 ( -6.948 6.832 -15.133) 17.999 14.961 ( 8.380 -1.735 10.202) 13.316 15.132 ( 3.298 -15.223 2.372) 15.756 16.077 ( -5.324 16.377 17.919) 24.852 16.274 ( 3.614 -4.732 17.955) 18.916 16.876 ( 10.353 21.059 15.484) 28.114 16.987 ( -6.706 18.893 -15.534) 25.362 17.348 ( 0.501 -16.136 -9.506) 18.735 17.415 ( 4.650 -28.285 7.692) 29.678 17.793 ( 8.690 2.864 -0.473) 9.162 17.844 ( 10.888 0.118 -13.011) 16.965 18.120 ( 5.816 -2.376 -3.562) 7.223 18.240 ( 9.979 -11.596 -5.408) 16.226 18.541 ( -0.242 -2.268 -2.007) 3.038 18.574 ( 3.074 -5.315 -1.510) 6.323 21.677 ( -7.555 6.252 2.388) 10.092 21.693 ( -6.897 5.001 3.144) 9.081 21.736 ( -8.548 0.139 -1.083) 8.617 21.778 ( -5.937 -2.286 -0.823) 6.415 ======================= Grid point 281 (98/120) ======================= q-point: ( 0.22 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( 0.503 6.318 1.286) 6.467 2.705 ( 1.921 -2.469 -2.219) 3.836 2.972 ( -0.123 5.121 7.617) 9.179 3.059 ( -3.065 5.682 4.351) 7.785 3.090 ( -5.903 -7.338 4.168) 10.298 3.231 ( -1.590 -10.581 3.331) 11.207 3.649 ( -6.149 2.326 -7.391) 9.892 3.700 ( -6.713 -3.029 -9.271) 11.841 3.829 ( 3.466 3.468 -4.871) 6.911 3.882 ( 0.488 -1.679 -7.773) 7.967 4.192 ( 1.362 -0.720 -0.534) 1.630 4.237 ( 0.524 -4.892 -2.520) 5.528 7.568 ( 18.066 4.842 0.494) 18.710 7.596 ( 16.526 1.724 0.362) 16.619 8.112 ( 9.706 11.166 16.158) 21.908 8.298 ( 19.951 -1.194 10.304) 22.487 8.550 ( 2.068 2.986 14.386) 14.837 8.673 ( 6.051 -2.276 4.946) 8.140 8.874 ( 2.608 6.583 -3.836) 8.054 9.069 ( 5.439 -11.691 -4.666) 13.713 9.400 ( -1.790 2.463 10.392) 10.829 9.502 ( -3.210 -8.363 8.698) 12.486 10.097 ( -0.592 7.732 -4.233) 8.835 10.234 ( 3.163 -6.935 -10.040) 12.605 10.552 ( 0.139 17.634 3.089) 17.903 10.890 ( -1.277 -13.921 -2.649) 14.229 10.929 ( -3.178 8.811 4.641) 10.453 11.204 ( -7.289 -14.902 0.362) 16.593 11.696 ( -6.447 2.942 -16.121) 17.610 11.727 ( -2.944 0.520 -13.525) 13.851 12.430 ( -15.578 2.524 -0.279) 15.783 12.501 ( -15.594 -4.248 -2.241) 16.317 12.965 ( 5.144 9.928 4.678) 12.120 13.181 ( 4.457 -7.935 5.399) 10.582 13.199 ( 3.194 5.570 -6.015) 8.798 13.393 ( 2.904 -11.143 -3.598) 12.064 13.787 ( -7.210 9.615 2.589) 12.294 13.921 ( 0.442 4.890 -0.909) 4.993 14.048 ( -0.513 -2.787 -1.693) 3.301 14.135 ( 7.536 -1.717 -2.866) 8.243 14.590 ( -3.249 16.361 -5.129) 17.451 14.709 ( 2.977 5.692 -9.029) 11.081 15.149 ( 7.875 -10.914 7.113) 15.223 15.190 ( 2.327 -17.208 4.069) 17.835 15.983 ( -3.100 25.617 12.259) 28.568 16.312 ( -0.485 -3.381 4.776) 5.872 16.849 ( -3.748 12.217 -7.047) 14.593 17.090 ( 3.632 -2.765 -0.623) 4.607 17.428 ( 11.264 -7.892 7.504) 15.668 17.583 ( 11.084 -17.556 14.248) 25.181 18.030 ( 12.743 4.540 5.523) 14.612 18.072 ( 8.950 -0.173 -7.360) 11.589 18.270 ( 7.867 5.208 -6.698) 11.570 18.453 ( 9.497 -9.673 -1.315) 13.619 18.550 ( 1.530 -3.180 0.945) 3.653 18.678 ( 6.262 -11.095 -3.693) 13.265 21.460 ( -12.624 5.619 -0.143) 13.819 21.493 ( -11.883 1.624 1.062) 12.041 21.508 ( -11.968 6.288 -2.775) 13.801 21.606 ( -10.087 -2.963 -3.577) 11.105 ======================= Grid point 282 (99/120) ======================= q-point: ( 0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 0.821 8.574 0.205) 8.616 2.735 ( 0.940 -1.819 -5.013) 5.415 2.898 ( -4.884 0.733 2.017) 5.334 2.954 ( -6.071 -4.718 2.399) 8.054 3.092 ( 4.085 4.641 6.626) 9.063 3.232 ( 1.035 -8.687 6.027) 10.623 3.501 ( -7.457 0.516 -8.492) 11.313 3.547 ( -7.478 -4.023 -6.827) 10.896 3.903 ( 2.217 2.499 -4.631) 5.711 3.913 ( 4.210 2.042 -4.044) 6.184 4.200 ( -0.784 -2.879 0.973) 3.139 4.235 ( -0.965 -5.788 -0.471) 5.887 7.947 ( 16.914 8.375 5.109) 19.553 7.984 ( 20.121 5.864 2.102) 21.064 8.280 ( 7.889 14.810 15.405) 22.779 8.584 ( 5.790 -11.694 15.665) 20.388 8.702 ( 12.870 15.516 4.365) 20.626 8.768 ( -0.637 7.670 1.300) 7.806 8.958 ( 3.971 -4.754 -1.949) 6.494 9.075 ( -4.906 -9.571 3.671) 11.364 9.342 ( -5.757 -0.115 0.644) 5.794 9.480 ( 4.446 -13.718 -4.783) 15.193 9.873 ( -14.290 4.460 -4.011) 15.497 10.086 ( -13.548 -14.091 -11.066) 22.462 10.780 ( 14.662 13.391 10.445) 22.436 10.930 ( 5.150 10.118 4.300) 12.140 10.992 ( 4.126 -8.520 8.342) 12.618 11.173 ( 3.987 -13.555 6.363) 15.496 11.578 ( -2.867 5.957 -14.818) 16.226 11.670 ( -1.331 -2.698 -15.306) 15.599 12.147 ( -11.012 2.215 -8.237) 13.929 12.222 ( -10.786 -4.995 -9.646) 15.308 13.014 ( -0.904 7.247 1.877) 7.541 13.146 ( -5.619 -5.544 0.163) 7.895 13.210 ( -3.375 5.123 -5.096) 7.975 13.312 ( -8.317 -3.832 -6.042) 10.971 13.756 ( 2.419 12.319 3.121) 12.937 13.935 ( 1.558 8.315 -2.218) 8.746 14.058 ( 2.201 -0.358 5.496) 5.931 14.256 ( 3.528 -5.792 -1.135) 6.876 14.638 ( 6.740 16.374 1.567) 17.776 14.832 ( 6.816 4.916 -5.569) 10.082 15.202 ( 0.892 -21.397 3.458) 21.693 15.294 ( 4.096 -19.371 1.162) 19.833 15.964 ( 1.524 32.802 5.576) 33.307 16.264 ( -3.526 16.358 -6.938) 18.115 16.810 ( -0.521 -15.200 1.149) 15.252 17.050 ( -5.144 -25.530 -8.032) 27.253 17.783 ( 19.563 2.151 18.736) 27.173 17.851 ( 13.661 -2.039 14.586) 20.088 18.189 ( 3.024 10.889 0.803) 11.329 18.284 ( 10.924 6.801 8.112) 15.212 18.428 ( 6.438 -3.064 -3.352) 7.878 18.564 ( 1.087 5.731 -3.398) 6.751 18.649 ( 6.639 -19.025 9.248) 22.170 18.788 ( 3.197 -14.288 -0.567) 14.652 21.190 ( -11.745 6.915 -4.757) 14.436 21.245 ( -11.010 5.721 -5.629) 13.625 21.265 ( -10.286 3.477 -3.390) 11.375 21.381 ( -10.789 -3.628 -7.052) 13.390 ======================= Grid point 283 (100/120) ======================= q-point: ( 0.44 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( 2.786 9.060 0.581) 9.496 2.726 ( -2.507 6.018 -2.095) 6.848 2.829 ( -0.653 -5.138 2.316) 5.674 2.859 ( -3.003 -5.308 1.763) 6.348 3.196 ( 5.703 2.061 -0.980) 6.142 3.266 ( 1.902 -3.381 0.512) 3.913 3.354 ( -5.698 -2.345 -6.507) 8.961 3.395 ( -6.602 -4.933 -5.147) 9.716 3.973 ( 3.776 6.113 -0.321) 7.193 3.996 ( 2.572 5.424 -0.909) 6.071 4.169 ( -1.233 -8.051 1.681) 8.316 4.193 ( -2.697 -8.741 0.781) 9.181 8.260 ( 12.154 17.476 8.494) 22.919 8.341 ( 9.040 14.563 4.881) 17.822 8.495 ( 14.071 16.995 6.682) 23.053 8.658 ( -0.968 6.262 1.925) 6.622 8.742 ( 1.474 -4.059 7.321) 8.500 8.829 ( -10.933 -6.860 3.182) 13.294 8.847 ( 0.589 -0.128 6.310) 6.339 8.950 ( -9.278 -10.877 0.665) 14.313 9.329 ( 7.283 6.603 -1.783) 9.991 9.530 ( -7.885 -0.968 -4.797) 9.280 9.691 ( 3.006 -20.367 -1.934) 20.679 9.834 ( -9.082 -20.304 -7.512) 23.477 10.978 ( 3.975 8.862 8.061) 12.622 11.020 ( 1.104 8.622 8.066) 11.859 11.082 ( 6.212 -1.353 10.546) 12.314 11.200 ( -3.519 -6.371 8.649) 11.304 11.681 ( 10.858 3.843 -12.874) 17.275 11.736 ( 8.105 -0.787 -16.969) 18.822 11.946 ( -8.890 -0.254 -12.412) 15.270 12.010 ( -10.738 -5.742 -13.263) 18.005 12.998 ( 1.452 2.600 -1.938) 3.553 13.049 ( -1.466 -2.155 -3.234) 4.154 13.094 ( -5.912 1.000 -6.448) 8.805 13.135 ( -7.629 -2.254 -7.489) 10.925 13.834 ( 4.572 19.579 6.263) 21.059 13.920 ( -3.034 20.972 4.047) 21.574 14.166 ( 6.471 -7.228 5.162) 10.989 14.267 ( -2.490 -6.914 2.221) 7.677 14.801 ( 7.399 11.437 2.168) 13.793 14.902 ( -1.271 8.522 -0.891) 8.662 15.251 ( 3.876 -26.390 -0.907) 26.688 15.319 ( -1.561 -24.802 -2.159) 24.945 16.047 ( 5.926 38.163 -1.475) 38.648 16.173 ( -5.338 35.154 -7.532) 36.346 16.827 ( 2.601 -35.989 0.123) 36.083 16.924 ( -6.138 -35.989 -4.681) 36.808 18.097 ( 8.800 13.466 11.807) 19.954 18.155 ( 10.087 7.631 10.664) 16.544 18.235 ( 5.456 11.174 11.251) 16.769 18.439 ( -2.929 0.041 8.864) 9.335 18.494 ( 3.600 -3.328 5.237) 7.174 18.560 ( -0.266 4.440 0.017) 4.448 18.749 ( 2.935 -19.903 9.966) 22.451 18.796 ( -1.760 -16.736 7.430) 18.396 21.022 ( -3.458 9.295 -9.440) 13.692 21.055 ( -6.154 10.383 -10.477) 15.983 21.133 ( -1.833 -2.221 -6.852) 7.433 21.189 ( -6.706 -3.519 -9.022) 11.780 ======================= Grid point 315 (101/120) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( 0.000 0.000 -10.319) 10.319 2.747 ( 0.000 0.000 10.319) 10.319 3.026 ( 0.000 0.000 -11.395) 11.395 3.026 ( 0.000 0.000 11.395) 11.395 3.048 ( 0.000 0.000 -19.405) 19.405 3.048 ( 0.000 0.000 19.405) 19.405 3.835 ( 0.000 0.000 -0.064) 0.064 3.835 ( 0.000 0.000 0.064) 0.064 4.002 ( 0.000 0.000 -1.837) 1.837 4.002 ( 0.000 0.000 1.837) 1.837 4.434 ( 0.000 0.000 -8.018) 8.018 4.434 ( 0.000 0.000 8.018) 8.018 7.257 ( 0.000 0.000 -16.102) 16.102 7.257 ( 0.000 0.000 16.102) 16.102 7.480 ( 0.000 0.000 -2.568) 2.568 7.480 ( 0.000 0.000 2.568) 2.568 8.777 ( 0.000 0.000 -14.327) 14.327 8.777 ( 0.000 0.000 14.327) 14.327 8.895 ( 0.000 0.000 -4.345) 4.345 8.895 ( 0.000 0.000 4.345) 4.345 9.272 ( 0.000 0.000 -3.710) 3.710 9.272 ( 0.000 0.000 3.710) 3.710 10.092 ( 0.000 0.000 -18.760) 18.760 10.092 ( 0.000 0.000 18.760) 18.760 10.215 ( 0.000 0.000 -26.794) 26.794 10.215 ( 0.000 0.000 26.794) 26.794 11.516 ( 0.000 0.000 -3.790) 3.790 11.516 ( 0.000 0.000 3.790) 3.790 11.732 ( 0.000 0.000 -28.013) 28.013 11.732 ( 0.000 0.000 28.013) 28.013 12.962 ( 0.000 0.000 -6.977) 6.977 12.962 ( 0.000 0.000 6.977) 6.977 13.170 ( 0.000 0.000 -5.016) 5.016 13.170 ( 0.000 0.000 5.016) 5.016 13.412 ( 0.000 0.000 -9.624) 9.624 13.412 ( 0.000 0.000 9.624) 9.624 13.479 ( 0.000 0.000 -13.697) 13.697 13.479 ( 0.000 0.000 13.697) 13.697 14.224 ( 0.000 0.000 -9.567) 9.567 14.224 ( 0.000 0.000 9.567) 9.567 14.560 ( 0.000 0.000 -20.701) 20.701 14.560 ( 0.000 0.000 20.701) 20.701 14.845 ( 0.000 0.000 -16.326) 16.326 14.845 ( 0.000 0.000 16.326) 16.326 15.774 ( 0.000 0.000 -27.445) 27.445 15.774 ( 0.000 0.000 27.445) 27.445 16.667 ( 0.000 0.000 -32.059) 32.059 16.667 ( 0.000 0.000 32.059) 32.059 17.168 ( 0.000 0.000 -32.650) 32.650 17.168 ( 0.000 0.000 32.650) 32.650 18.191 ( 0.000 0.000 -21.209) 21.209 18.191 ( 0.000 0.000 21.209) 21.209 18.650 ( 0.000 0.000 -5.259) 5.259 18.650 ( 0.000 0.000 5.259) 5.259 19.079 ( 0.000 0.000 -5.287) 5.287 19.079 ( 0.000 0.000 5.287) 5.287 21.464 ( 0.000 0.000 -10.302) 10.302 21.464 ( 0.000 0.000 10.302) 10.302 21.699 ( 0.000 0.000 -7.919) 7.919 21.699 ( 0.000 0.000 7.919) 7.919 ======================= Grid point 317 (102/120) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( -6.498 0.000 -5.591) 8.572 2.647 ( -6.498 0.000 5.591) 8.572 3.071 ( 4.159 0.000 -10.648) 11.432 3.071 ( 4.159 0.000 10.648) 11.432 3.184 ( 8.156 0.000 -10.994) 13.689 3.184 ( 8.156 0.000 10.994) 13.689 3.746 ( -6.524 0.000 -1.175) 6.629 3.746 ( -6.524 0.000 1.175) 6.629 3.951 ( -4.766 0.000 -1.803) 5.096 3.951 ( -4.766 0.000 1.803) 5.096 4.468 ( 3.019 0.000 -6.370) 7.049 4.468 ( 3.019 0.000 6.370) 7.049 7.320 ( 5.110 0.000 -16.956) 17.709 7.320 ( 5.110 0.000 16.956) 17.709 7.539 ( 5.332 0.000 -5.097) 7.377 7.539 ( 5.332 0.000 5.097) 7.377 8.781 ( -9.488 0.000 -4.116) 10.342 8.781 ( -9.488 0.000 4.116) 10.342 8.891 ( 10.913 0.000 -11.718) 16.012 8.891 ( 10.913 0.000 11.718) 16.012 9.361 ( 8.687 0.000 -10.351) 13.513 9.361 ( 8.687 0.000 10.351) 13.513 10.216 ( 0.205 0.000 -25.755) 25.756 10.216 ( 0.205 0.000 25.755) 25.756 10.249 ( 12.844 0.000 -22.735) 26.113 10.249 ( 12.844 0.000 22.735) 26.113 11.534 ( 1.581 0.000 -2.293) 2.785 11.534 ( 1.581 0.000 2.293) 2.785 11.564 ( -14.821 0.000 -23.705) 27.957 11.564 ( -14.821 0.000 23.705) 27.957 12.988 ( -14.655 0.000 -8.453) 16.918 12.988 ( -14.655 0.000 8.453) 16.918 12.996 ( 2.821 0.000 -8.840) 9.280 12.996 ( 2.821 0.000 8.840) 9.280 13.319 ( -7.015 0.000 -11.656) 13.604 13.319 ( -7.015 0.000 11.656) 13.604 13.472 ( -1.323 0.000 -14.243) 14.304 13.472 ( -1.323 0.000 14.243) 14.304 14.177 ( -7.299 0.000 -10.936) 13.148 14.177 ( -7.299 0.000 10.936) 13.148 14.734 ( 13.306 0.000 -18.399) 22.706 14.734 ( 13.306 0.000 18.399) 22.706 14.956 ( 12.231 0.000 -15.619) 19.838 14.956 ( 12.231 0.000 15.619) 19.838 15.591 ( -12.909 0.000 -25.509) 28.590 15.591 ( -12.909 0.000 25.509) 28.590 16.904 ( 18.803 0.000 -31.190) 36.419 16.904 ( 18.803 0.000 31.190) 36.419 17.229 ( 5.536 0.000 -32.010) 32.485 17.229 ( 5.536 0.000 32.010) 32.485 18.152 ( -3.070 0.000 -20.302) 20.532 18.152 ( -3.070 0.000 20.302) 20.532 18.792 ( 12.343 0.000 -4.265) 13.059 18.792 ( 12.343 0.000 4.265) 13.059 19.095 ( 1.438 0.000 -5.064) 5.264 19.095 ( 1.438 0.000 5.064) 5.264 21.325 ( -12.978 0.000 -9.346) 15.993 21.325 ( -12.978 0.000 9.346) 15.993 21.633 ( -6.182 0.000 -7.987) 10.100 21.633 ( -6.182 0.000 7.987) 10.100 ======================= Grid point 319 (103/120) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( -6.153 0.000 -9.772) 11.548 2.516 ( -6.153 0.000 9.772) 11.548 3.188 ( 6.635 0.000 -8.782) 11.007 3.188 ( 6.635 0.000 8.782) 11.007 3.231 ( -4.543 0.000 -8.238) 9.408 3.231 ( -4.543 0.000 8.238) 9.408 3.669 ( -0.031 0.000 -3.660) 3.661 3.669 ( -0.031 0.000 3.660) 3.661 3.816 ( -7.693 0.000 -1.390) 7.818 3.816 ( -7.693 0.000 1.390) 7.818 4.562 ( 6.050 0.000 -3.586) 7.033 4.562 ( 6.050 0.000 3.586) 7.033 7.422 ( 3.727 0.000 -16.948) 17.353 7.422 ( 3.727 0.000 16.948) 17.353 7.682 ( 7.863 0.000 -10.627) 13.220 7.682 ( 7.863 0.000 10.627) 13.220 8.563 ( -10.413 0.000 -6.595) 12.326 8.563 ( -10.413 0.000 6.595) 12.326 9.219 ( 19.433 0.000 -6.653) 20.541 9.219 ( 19.433 0.000 6.653) 20.541 9.616 ( 14.900 0.000 -19.803) 24.783 9.616 ( 14.900 0.000 19.803) 24.783 10.228 ( 1.063 0.000 -22.244) 22.269 10.228 ( 1.063 0.000 22.244) 22.269 10.540 ( 13.568 0.000 -26.915) 30.141 10.540 ( 13.568 0.000 26.915) 30.141 11.184 ( -19.869 0.000 -13.686) 24.127 11.184 ( -19.869 0.000 13.686) 24.127 11.572 ( 1.598 0.000 -2.648) 3.093 11.572 ( 1.598 0.000 2.648) 3.093 12.660 ( -14.950 0.000 -8.782) 17.339 12.660 ( -14.950 0.000 8.782) 17.339 13.021 ( -2.936 0.000 -6.190) 6.851 13.021 ( -2.936 0.000 6.190) 6.851 13.223 ( 0.874 0.000 -10.783) 10.818 13.223 ( 0.874 0.000 10.783) 10.818 13.405 ( -5.587 0.000 -10.885) 12.235 13.405 ( -5.587 0.000 10.885) 12.235 13.931 ( -13.571 0.000 -6.486) 15.041 13.931 ( -13.571 0.000 6.486) 15.041 14.890 ( -4.102 0.000 -14.725) 15.285 14.890 ( -4.102 0.000 14.725) 15.285 15.330 ( 21.618 0.000 -15.342) 26.509 15.330 ( 21.618 0.000 15.342) 26.509 15.458 ( 5.104 0.000 -13.370) 14.312 15.458 ( 5.104 0.000 13.370) 14.312 17.336 ( 20.994 0.000 -27.731) 34.782 17.336 ( 20.994 0.000 27.731) 34.782 17.353 ( 4.124 0.000 -30.428) 30.706 17.353 ( 4.124 0.000 30.428) 30.706 18.118 ( 2.150 0.000 -17.312) 17.445 18.118 ( 2.150 0.000 17.312) 17.445 19.099 ( 15.511 0.000 -1.237) 15.560 19.099 ( 15.511 0.000 1.237) 15.560 19.139 ( 2.746 0.000 -4.415) 5.199 19.139 ( 2.746 0.000 4.415) 5.199 20.944 ( -22.773 0.000 -7.321) 23.921 20.944 ( -22.773 0.000 7.321) 23.921 21.452 ( -10.671 0.000 -7.951) 13.307 21.452 ( -10.671 0.000 7.951) 13.307 ======================= Grid point 321 (104/120) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -5.913 0.000 -10.553) 12.097 2.388 ( -5.913 0.000 10.553) 12.097 3.092 ( -6.503 0.000 -6.045) 8.879 3.092 ( -6.503 0.000 6.045) 8.879 3.328 ( 6.289 0.000 -6.681) 9.176 3.328 ( 6.289 0.000 6.681) 9.176 3.652 ( -7.384 0.000 -1.139) 7.471 3.652 ( -7.384 0.000 1.139) 7.471 3.680 ( 0.122 0.000 -3.601) 3.603 3.680 ( 0.122 0.000 3.601) 3.603 4.704 ( 6.730 0.000 -0.942) 6.795 4.704 ( 6.730 0.000 0.942) 6.795 7.466 ( 0.785 0.000 -12.613) 12.637 7.466 ( 0.785 0.000 12.613) 12.637 7.848 ( 7.586 0.000 -16.596) 18.248 7.848 ( 7.586 0.000 16.596) 18.248 8.364 ( -8.368 0.000 -2.437) 8.716 8.364 ( -8.368 0.000 2.437) 8.716 9.637 ( 18.962 0.000 -4.295) 19.442 9.637 ( 18.962 0.000 4.295) 19.442 9.943 ( 15.296 0.000 -22.662) 27.342 9.943 ( 15.296 0.000 22.662) 27.342 10.259 ( 1.409 0.000 -15.455) 15.519 10.259 ( 1.409 0.000 15.455) 15.519 10.775 ( 8.245 0.000 -27.993) 29.182 10.775 ( 8.245 0.000 27.993) 29.182 10.794 ( -16.019 0.000 -5.648) 16.985 10.794 ( -16.019 0.000 5.648) 16.985 11.578 ( -1.252 0.000 -3.747) 3.950 11.578 ( -1.252 0.000 3.747) 3.950 12.420 ( -7.228 0.000 -6.288) 9.581 12.420 ( -7.228 0.000 6.288) 9.581 12.902 ( -6.337 0.000 -2.676) 6.879 12.902 ( -6.337 0.000 2.676) 6.879 13.224 ( -11.073 0.000 -10.565) 15.305 13.224 ( -11.073 0.000 10.565) 15.305 13.336 ( 7.780 0.000 -8.605) 11.601 13.336 ( 7.780 0.000 8.605) 11.601 13.706 ( -7.092 0.000 -4.436) 8.365 13.706 ( -7.092 0.000 4.436) 8.365 14.654 ( -13.891 0.000 -16.632) 21.670 14.654 ( -13.891 0.000 16.632) 21.670 15.686 ( 11.861 0.000 -8.569) 14.633 15.686 ( 11.861 0.000 8.569) 14.633 15.795 ( 21.641 0.000 -14.444) 26.018 15.795 ( 21.641 0.000 14.444) 26.018 17.313 ( -7.819 0.000 -24.467) 25.686 17.313 ( -7.819 0.000 24.467) 25.686 17.735 ( 16.235 0.000 -19.998) 25.758 17.735 ( 16.235 0.000 19.998) 25.758 18.325 ( 17.122 0.000 -15.139) 22.855 18.325 ( 17.122 0.000 15.139) 22.855 19.206 ( 3.500 0.000 -3.301) 4.811 19.206 ( 3.500 0.000 3.301) 4.811 19.393 ( 11.825 0.000 -4.972) 12.827 19.393 ( 11.825 0.000 4.972) 12.827 20.410 ( -27.290 0.000 -6.288) 28.005 20.410 ( -27.290 0.000 6.288) 28.005 21.214 ( -11.229 0.000 -6.863) 13.160 21.214 ( -11.229 0.000 6.863) 13.160 ======================= Grid point 323 (105/120) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( -2.736 0.000 -4.611) 5.361 2.290 ( -2.736 0.000 4.611) 5.361 2.998 ( -2.275 0.000 -2.389) 3.299 2.998 ( -2.275 0.000 2.389) 3.299 3.434 ( 3.632 0.000 -4.695) 5.936 3.434 ( 3.632 0.000 4.695) 5.936 3.528 ( -4.113 0.000 -2.761) 4.954 3.528 ( -4.113 0.000 2.761) 4.954 3.676 ( -0.269 0.000 -1.451) 1.476 3.676 ( -0.269 0.000 1.451) 1.476 4.809 ( 2.782 0.000 -0.266) 2.794 4.809 ( 2.782 0.000 0.266) 2.794 7.470 ( -0.118 0.000 -4.615) 4.616 7.470 ( -0.118 0.000 4.615) 4.616 7.977 ( 4.015 0.000 -13.851) 14.421 7.977 ( 4.015 0.000 13.851) 14.421 8.227 ( -4.165 0.000 -8.063) 9.075 8.227 ( -4.165 0.000 8.063) 9.075 9.971 ( 12.683 0.000 -5.575) 13.854 9.971 ( 12.683 0.000 5.575) 13.854 10.199 ( 7.515 0.000 -12.242) 14.365 10.199 ( 7.515 0.000 12.242) 14.365 10.219 ( -6.621 0.000 -10.090) 12.068 10.219 ( -6.621 0.000 10.090) 12.068 10.581 ( -3.621 0.000 -7.618) 8.434 10.581 ( -3.621 0.000 7.618) 8.434 10.873 ( 1.518 0.000 -15.168) 15.244 10.873 ( 1.518 0.000 15.168) 15.244 11.539 ( -1.501 0.000 -1.423) 2.068 11.539 ( -1.501 0.000 1.423) 2.068 12.351 ( -0.558 0.000 -2.567) 2.627 12.351 ( -0.558 0.000 2.567) 2.627 12.801 ( -2.756 0.000 -1.395) 3.089 12.801 ( -2.756 0.000 1.395) 3.089 13.021 ( -6.222 0.000 -5.615) 8.381 13.021 ( -6.222 0.000 5.615) 8.381 13.487 ( 5.109 0.000 -5.134) 7.243 13.487 ( 5.109 0.000 5.134) 7.243 13.619 ( -1.826 0.000 -2.294) 2.932 13.619 ( -1.826 0.000 2.294) 2.932 14.412 ( -7.392 0.000 -8.103) 10.968 14.412 ( -7.392 0.000 8.103) 10.968 15.867 ( 4.630 0.000 -3.160) 5.605 15.867 ( 4.630 0.000 3.160) 5.605 16.171 ( 11.922 0.000 -8.632) 14.719 16.171 ( 11.922 0.000 8.632) 14.719 17.115 ( -7.932 0.000 -11.911) 14.310 17.115 ( -7.932 0.000 11.911) 14.310 17.977 ( 6.173 0.000 -7.401) 9.637 17.977 ( 6.173 0.000 7.401) 9.637 18.716 ( 15.523 0.000 -9.648) 18.277 18.716 ( 15.523 0.000 9.648) 18.277 19.269 ( 1.969 0.000 -1.374) 2.402 19.269 ( 1.969 0.000 1.374) 2.402 19.585 ( 7.356 0.000 -15.119) 16.814 19.585 ( 7.356 0.000 15.119) 16.814 19.873 ( -21.265 0.000 -11.264) 24.064 19.873 ( -21.265 0.000 11.264) 24.064 21.030 ( -5.216 0.000 -3.011) 6.022 21.030 ( -5.216 0.000 3.011) 6.022 ======================= Grid point 333 (106/120) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 0.000 -2.990 -3.455) 4.569 2.718 ( 0.000 -2.990 3.455) 4.569 3.000 ( 0.000 1.358 -10.813) 10.898 3.000 ( 0.000 1.358 10.813) 10.898 3.157 ( 0.000 7.485 -2.078) 7.768 3.157 ( 0.000 7.485 2.078) 7.768 3.755 ( 0.000 -7.607 -0.889) 7.658 3.755 ( 0.000 -7.607 0.889) 7.658 4.002 ( 0.000 -0.607 -0.775) 0.985 4.002 ( 0.000 -0.607 0.775) 0.985 4.370 ( 0.000 -5.958 -7.448) 9.538 4.370 ( 0.000 -5.958 7.448) 9.538 7.209 ( 0.000 -3.364 -10.517) 11.041 7.209 ( 0.000 -3.364 10.517) 11.041 7.579 ( 0.000 7.944 -0.531) 7.962 7.579 ( 0.000 7.944 0.531) 7.962 8.725 ( 0.000 -3.025 -9.704) 10.165 8.725 ( 0.000 -3.025 9.704) 10.165 8.932 ( 0.000 1.055 -3.787) 3.931 8.932 ( 0.000 1.055 3.787) 3.931 9.342 ( 0.000 7.286 -0.657) 7.315 9.342 ( 0.000 7.286 0.657) 7.315 9.986 ( 0.000 -4.996 -2.379) 5.534 9.986 ( 0.000 -4.996 2.379) 5.534 10.374 ( 0.000 10.600 -7.219) 12.825 10.374 ( 0.000 10.600 7.219) 12.825 11.510 ( 0.000 -0.515 -0.901) 1.038 11.510 ( 0.000 -0.515 0.901) 1.038 11.689 ( 0.000 -3.957 -25.809) 26.111 11.689 ( 0.000 -3.957 25.809) 26.111 13.056 ( 0.000 6.655 -4.912) 8.271 13.056 ( 0.000 6.655 4.912) 8.271 13.223 ( 0.000 -2.065 -4.052) 4.548 13.223 ( 0.000 -2.065 4.052) 4.548 13.264 ( 0.000 -0.896 -2.524) 2.679 13.264 ( 0.000 -0.896 2.524) 2.679 13.444 ( 0.000 -8.072 -10.238) 13.038 13.444 ( 0.000 -8.072 10.238) 13.038 14.231 ( 0.000 2.049 -12.553) 12.720 14.231 ( 0.000 2.049 12.553) 12.720 14.479 ( 0.000 -4.970 -17.796) 18.477 14.479 ( 0.000 -4.970 17.796) 18.477 14.969 ( 0.000 8.242 -17.216) 19.087 14.969 ( 0.000 8.242 17.216) 19.087 15.911 ( 0.000 13.564 -26.575) 29.836 15.911 ( 0.000 13.564 26.575) 29.836 16.662 ( 0.000 -0.437 -28.067) 28.070 16.662 ( 0.000 -0.437 28.067) 28.070 17.180 ( 0.000 1.411 -28.542) 28.577 17.180 ( 0.000 1.411 28.542) 28.577 18.152 ( 0.000 -4.042 -20.243) 20.643 18.152 ( 0.000 -4.042 20.243) 20.643 18.549 ( 0.000 -10.992 -7.275) 13.181 18.549 ( 0.000 -10.992 7.275) 13.181 18.926 ( 0.000 -13.514 -4.230) 14.160 18.926 ( 0.000 -13.514 4.230) 14.160 21.544 ( 0.000 7.262 -8.953) 11.528 21.544 ( 0.000 7.262 8.953) 11.528 21.726 ( 0.000 2.606 -7.172) 7.631 21.726 ( 0.000 2.606 7.172) 7.631 ======================= Grid point 335 (107/120) ======================= q-point: ( 0.11 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( -5.321 -0.426 -3.580) 6.427 2.644 ( -5.321 -0.426 3.580) 6.427 3.031 ( 2.738 -1.419 -9.034) 9.546 3.031 ( 2.738 -1.419 9.034) 9.546 3.279 ( 8.209 7.411 -4.305) 11.867 3.279 ( 8.209 7.411 4.305) 11.867 3.674 ( -6.009 -7.115 -1.260) 9.398 3.674 ( -6.009 -7.115 1.260) 9.398 3.946 ( -5.091 -0.834 -1.224) 5.302 3.946 ( -5.091 -0.834 1.224) 5.302 4.399 ( 2.575 -6.397 -5.921) 9.089 4.399 ( 2.575 -6.397 5.921) 9.089 7.285 ( 6.771 -2.117 -10.606) 12.760 7.285 ( 6.771 -2.117 10.606) 12.760 7.656 ( 6.325 9.736 -1.737) 11.739 7.656 ( 6.325 9.736 1.737) 11.739 8.722 ( -2.684 -3.452 -4.469) 6.253 8.722 ( -2.684 -3.452 4.469) 6.253 8.945 ( 4.924 2.544 -13.537) 14.628 8.945 ( 4.924 2.544 13.537) 14.628 9.421 ( 7.129 6.139 -8.210) 12.487 9.421 ( 7.129 6.139 8.210) 12.487 10.051 ( 5.457 -7.418 -13.422) 16.278 10.051 ( 5.457 -7.418 13.422) 16.278 10.421 ( 4.209 8.626 -19.007) 21.293 10.421 ( 4.209 8.626 19.007) 21.293 11.490 ( -5.712 -2.776 -12.017) 13.592 11.490 ( -5.712 -2.776 12.017) 13.592 11.580 ( -5.563 0.025 -12.376) 13.569 11.580 ( -5.563 0.025 12.376) 13.569 12.913 ( -12.676 -2.189 -6.256) 14.305 12.913 ( -12.676 -2.189 6.256) 14.305 13.157 ( -5.689 -8.772 -8.313) 13.358 13.157 ( -5.689 -8.772 8.313) 13.358 13.226 ( -0.012 14.151 -9.076) 16.811 13.226 ( -0.012 14.151 9.076) 16.811 13.518 ( 2.571 -0.489 -9.278) 9.640 13.518 ( 2.571 -0.489 9.278) 9.640 14.154 ( -7.874 -1.043 -13.752) 15.880 14.154 ( -7.874 -1.043 13.752) 15.880 14.556 ( 8.008 -10.467 -16.082) 20.792 14.556 ( 8.008 -10.467 16.082) 20.792 15.132 ( 14.232 9.731 -16.213) 23.667 15.132 ( 14.232 9.731 16.213) 23.667 15.716 ( -14.034 12.677 -25.166) 31.480 15.716 ( -14.034 12.677 25.166) 31.480 16.884 ( 16.534 -1.859 -24.918) 29.962 16.884 ( 16.534 -1.859 24.918) 29.962 17.262 ( 7.999 3.356 -24.984) 26.447 17.262 ( 7.999 3.356 24.984) 26.447 18.121 ( -2.535 -3.173 -19.264) 19.688 18.121 ( -2.535 -3.173 19.264) 19.688 18.666 ( 9.588 -13.600 -6.743) 17.954 18.666 ( 9.588 -13.600 6.743) 17.954 18.956 ( 3.331 -11.829 -3.819) 12.869 18.956 ( 3.331 -11.829 3.819) 12.869 21.415 ( -12.012 8.144 -7.998) 16.570 21.415 ( -12.012 8.144 7.998) 16.570 21.660 ( -6.237 2.531 -7.232) 9.879 21.660 ( -6.237 2.531 7.232) 9.879 ======================= Grid point 337 (108/120) ======================= q-point: ( 0.22 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( -5.180 1.804 -8.525) 10.137 2.533 ( -5.180 1.804 8.525) 10.137 3.090 ( 1.717 -4.699 -3.637) 6.185 3.090 ( 1.717 -4.699 3.637) 6.185 3.342 ( -2.609 5.824 -5.148) 8.200 3.342 ( -2.609 5.824 5.148) 8.200 3.628 ( 2.437 -3.980 -4.010) 6.153 3.628 ( 2.437 -3.980 4.010) 6.153 3.808 ( -7.489 -0.832 -1.669) 7.718 3.808 ( -7.489 -0.832 1.669) 7.718 4.477 ( 4.996 -7.769 -3.435) 9.855 4.477 ( 4.996 -7.769 3.435) 9.855 7.453 ( 8.165 3.008 -11.063) 14.075 7.453 ( 8.165 3.008 11.063) 14.075 7.796 ( 6.573 11.053 -5.907) 14.151 7.796 ( 6.573 11.053 5.907) 14.151 8.596 ( -7.924 3.289 -5.983) 10.460 8.596 ( -7.924 3.289 5.983) 10.460 9.192 ( 16.768 -3.397 -10.591) 20.121 9.192 ( 16.768 -3.397 10.591) 20.121 9.607 ( 9.864 -0.796 -16.573) 19.303 9.607 ( 9.864 -0.796 16.573) 19.303 10.192 ( 7.830 -3.532 -18.348) 20.259 10.192 ( 7.830 -3.532 18.348) 20.259 10.518 ( 3.867 -0.699 -25.414) 25.716 10.518 ( 3.867 -0.699 25.414) 25.716 11.235 ( -13.215 4.050 -11.783) 18.163 11.235 ( -13.215 4.050 11.783) 18.163 11.562 ( 0.149 -1.415 -2.489) 2.867 11.562 ( 0.149 -1.415 2.490) 2.867 12.607 ( -14.905 -4.303 -7.214) 17.109 12.607 ( -14.905 -4.303 7.214) 17.109 13.046 ( -4.963 -4.825 -8.094) 10.650 13.046 ( -4.963 -4.825 8.094) 10.650 13.229 ( -0.123 10.709 -9.360) 14.224 13.229 ( -0.123 10.709 9.360) 14.224 13.534 ( -0.264 8.611 -2.918) 9.096 13.534 ( -0.264 8.611 2.918) 9.096 13.895 ( -14.680 -2.023 -8.646) 17.157 13.895 ( -14.680 -2.023 8.646) 17.157 14.812 ( 12.749 -10.989 -13.211) 21.397 14.812 ( 12.749 -10.989 13.211) 21.397 15.344 ( -3.357 10.154 -14.321) 17.874 15.344 ( -3.357 10.154 14.321) 17.874 15.578 ( 11.022 5.174 -10.991) 16.403 15.578 ( 11.022 5.174 10.991) 16.403 17.212 ( 12.847 -5.979 -19.049) 23.742 17.212 ( 12.847 -5.979 19.049) 23.742 17.507 ( 14.232 9.062 -19.289) 25.627 17.507 ( 14.232 9.062 19.289) 25.627 18.085 ( 0.959 -3.331 -15.923) 16.296 18.085 ( 0.959 -3.331 15.923) 16.296 18.846 ( 5.860 -20.066 -5.393) 21.589 18.846 ( 5.860 -20.066 5.393) 21.589 19.105 ( 11.165 -6.944 -2.222) 13.335 19.105 ( 11.165 -6.944 2.222) 13.335 21.067 ( -20.543 10.928 -5.894) 24.004 21.067 ( -20.543 10.928 5.894) 24.004 21.478 ( -10.713 2.366 -7.276) 13.165 21.478 ( -10.713 2.366 7.276) 13.165 ======================= Grid point 339 (109/120) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( -4.779 4.041 -9.466) 11.347 2.428 ( -4.779 4.041 9.466) 11.347 3.054 ( -4.228 -3.330 -5.214) 7.494 3.054 ( -4.228 -3.330 5.214) 7.494 3.326 ( 1.856 -0.617 -8.003) 8.238 3.326 ( 1.856 -0.617 8.003) 8.238 3.620 ( -5.996 -3.033 -2.598) 7.204 3.620 ( -5.996 -3.033 2.598) 7.204 3.715 ( 0.935 3.082 -1.087) 3.400 3.715 ( 0.935 3.082 1.087) 3.400 4.595 ( 5.585 -10.101 -1.222) 11.607 4.595 ( 5.585 -10.101 1.222) 11.607 7.585 ( 3.990 10.972 -9.916) 15.318 7.585 ( 3.990 10.972 9.916) 15.318 7.935 ( 6.837 9.105 -14.760) 18.641 7.935 ( 6.837 9.105 14.760) 18.641 8.426 ( -7.801 6.437 -0.984) 10.161 8.426 ( -7.801 6.437 0.984) 10.161 9.541 ( 14.125 -9.992 -6.637) 18.531 9.541 ( 14.125 -9.992 6.637) 18.531 9.826 ( 11.358 -9.770 -19.786) 24.818 9.826 ( 11.358 -9.770 19.786) 24.818 10.324 ( 1.654 0.150 -7.527) 7.708 10.324 ( 1.654 0.150 7.527) 7.708 10.569 ( 3.244 -3.417 -3.312) 5.759 10.569 ( 3.244 -3.417 3.312) 5.759 11.041 ( -4.811 11.683 -11.034) 16.775 11.041 ( -4.811 11.683 11.034) 16.775 11.548 ( -1.383 -3.145 -2.895) 4.493 11.548 ( -1.383 -3.145 2.895) 4.493 12.347 ( -9.182 -6.822 -5.900) 12.870 12.347 ( -9.182 -6.822 5.900) 12.870 12.954 ( -3.649 3.082 -5.013) 6.924 12.954 ( -3.649 3.082 5.013) 6.924 13.173 ( -6.328 1.168 -3.180) 7.177 13.173 ( -6.328 1.168 3.180) 7.177 13.526 ( -0.433 13.698 -6.818) 15.308 13.526 ( -0.433 13.698 6.818) 15.308 13.658 ( -5.735 -1.771 -2.898) 6.665 13.658 ( -5.735 -1.771 2.898) 6.665 14.864 ( -7.266 17.449 -12.094) 22.439 14.864 ( -7.266 17.449 12.094) 22.439 15.403 ( 11.302 -16.757 -9.379) 22.282 15.403 ( 11.302 -16.757 9.379) 22.282 15.881 ( 13.373 -1.559 -7.592) 15.456 15.881 ( 13.373 -1.559 7.592) 15.456 17.356 ( 0.359 3.605 -18.937) 19.280 17.356 ( 0.359 3.605 18.937) 19.280 17.780 ( 11.285 4.650 -16.812) 20.776 17.780 ( 11.285 4.650 16.812) 20.776 18.257 ( 15.551 -7.007 -12.630) 21.224 18.257 ( 15.551 -7.007 12.630) 21.224 18.922 ( 1.802 -20.999 -3.066) 21.298 18.922 ( 1.802 -20.999 3.066) 21.298 19.353 ( 10.854 -7.502 -1.018) 13.233 19.353 ( 10.854 -7.502 1.018) 13.233 20.601 ( -22.585 16.234 -3.984) 28.099 20.601 ( -22.585 16.234 3.984) 28.099 21.240 ( -11.162 2.315 -6.346) 13.047 21.240 ( -11.162 2.315 6.346) 13.047 ======================= Grid point 341 (110/120) ======================= q-point: ( 0.44 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( -2.211 5.870 -4.175) 7.535 2.349 ( -2.211 5.870 4.175) 7.535 2.982 ( -1.917 -1.634 -2.344) 3.441 2.982 ( -1.917 -1.634 2.344) 3.441 3.374 ( 2.002 -4.967 -4.091) 6.739 3.374 ( 2.002 -4.967 4.091) 6.739 3.503 ( -3.862 -2.544 -1.500) 4.862 3.503 ( -3.862 -2.544 1.500) 4.862 3.741 ( 0.814 5.419 -1.043) 5.579 3.741 ( 0.814 5.419 1.043) 5.579 4.683 ( 2.322 -11.820 -0.291) 12.049 4.683 ( 2.322 -11.820 0.291) 12.049 7.630 ( 0.790 15.433 -3.818) 15.917 7.630 ( 0.790 15.433 3.818) 15.917 8.060 ( 4.134 8.464 -13.605) 16.548 8.060 ( 4.134 8.464 13.605) 16.548 8.292 ( -4.247 6.928 -7.033) 10.747 8.292 ( -4.247 6.928 7.033) 10.747 9.745 ( 5.629 -18.901 -4.071) 20.138 9.745 ( 5.629 -18.901 4.071) 20.138 10.009 ( 2.973 -13.864 -12.729) 19.055 10.009 ( 2.973 -13.864 12.729) 19.055 10.303 ( 0.758 -1.296 -2.910) 3.274 10.303 ( 0.758 -1.296 2.910) 3.274 10.640 ( 0.821 7.827 -6.947) 10.497 10.640 ( 0.821 7.827 6.947) 10.497 11.008 ( 0.757 11.232 -11.101) 15.810 11.008 ( 0.757 11.232 11.101) 15.810 11.516 ( -1.286 -2.162 -1.254) 2.811 11.516 ( -1.286 -2.162 1.254) 2.811 12.230 ( -2.372 -10.374 -2.640) 10.965 12.230 ( -2.372 -10.374 2.640) 10.965 12.907 ( -0.527 7.823 -1.338) 7.954 12.907 ( -0.527 7.823 1.338) 7.954 13.016 ( -6.049 0.352 -4.646) 7.636 13.016 ( -6.049 0.352 4.646) 7.636 13.513 ( -0.516 -3.000 -1.644) 3.459 13.513 ( -0.516 -3.000 1.644) 3.459 13.636 ( 1.063 11.632 -0.779) 11.707 13.636 ( 1.063 11.632 0.779) 11.707 14.710 ( -4.836 26.409 -5.917) 27.493 14.710 ( -4.836 26.409 5.917) 27.493 15.616 ( 6.241 -21.319 -4.479) 22.661 15.616 ( 6.241 -21.319 4.479) 22.661 16.084 ( 5.366 -10.765 -2.713) 12.330 16.084 ( 5.366 -10.765 2.713) 12.330 17.302 ( -2.862 16.194 -7.663) 18.143 17.302 ( -2.862 16.194 7.663) 18.143 17.961 ( 4.962 -2.869 -6.199) 8.443 17.961 ( 4.962 -2.869 6.199) 8.443 18.629 ( 17.164 -10.781 -9.935) 22.572 18.629 ( 17.164 -10.781 9.935) 22.572 18.892 ( -5.995 -21.181 -3.921) 22.360 18.892 ( -5.995 -21.181 3.921) 22.360 19.521 ( 4.677 -9.761 -2.221) 11.049 19.521 ( 4.677 -9.761 2.221) 11.049 20.209 ( -12.036 24.306 -2.234) 27.215 20.209 ( -12.036 24.306 2.234) 27.215 21.057 ( -5.128 2.448 -2.789) 6.329 21.057 ( -5.128 2.448 2.789) 6.329 ======================= Grid point 351 (111/120) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( 0.000 -1.791 -2.000) 2.685 2.661 ( 0.000 -1.791 2.000) 2.685 3.072 ( 0.000 5.127 -12.454) 13.468 3.072 ( 0.000 5.127 12.454) 13.468 3.293 ( 0.000 3.900 -3.740) 5.403 3.293 ( 0.000 3.900 3.740) 5.403 3.592 ( 0.000 -5.883 -5.401) 7.986 3.592 ( 0.000 -5.883 5.401) 7.986 3.958 ( 0.000 -4.238 -1.117) 4.383 3.958 ( 0.000 -4.238 1.117) 4.383 4.239 ( 0.000 -6.700 -5.617) 8.743 4.239 ( 0.000 -6.700 5.617) 8.743 7.155 ( 0.000 -2.069 -5.458) 5.837 7.155 ( 0.000 -2.069 5.458) 5.837 7.725 ( 0.000 6.252 -0.348) 6.262 7.725 ( 0.000 6.252 0.348) 6.262 8.696 ( 0.000 0.287 -9.352) 9.356 8.696 ( 0.000 0.287 9.352) 9.356 8.906 ( 0.000 -3.362 -3.437) 4.808 8.906 ( 0.000 -3.362 3.437) 4.808 9.525 ( 0.000 10.279 -0.299) 10.283 9.525 ( 0.000 10.279 0.299) 10.283 9.935 ( 0.000 -1.030 -1.971) 2.223 9.935 ( 0.000 -1.030 1.971) 2.223 10.594 ( 0.000 12.797 -7.038) 14.604 10.594 ( 0.000 12.797 7.038) 14.604 11.461 ( 0.000 -6.626 -18.233) 19.400 11.461 ( 0.000 -6.626 18.233) 19.400 11.634 ( 0.000 0.366 -9.028) 9.036 11.634 ( 0.000 0.366 9.028) 9.036 12.970 ( 0.000 -11.628 -7.482) 13.827 12.970 ( 0.000 -11.628 7.482) 13.827 13.123 ( 0.000 -10.059 -1.778) 10.214 13.123 ( 0.000 -10.059 1.778) 10.214 13.249 ( 0.000 -2.272 -2.660) 3.498 13.249 ( 0.000 -2.272 2.660) 3.498 13.519 ( 0.000 16.063 -6.411) 17.296 13.519 ( 0.000 16.063 6.411) 17.296 14.299 ( 0.000 2.716 -11.811) 12.120 14.299 ( 0.000 2.716 11.811) 12.120 14.431 ( 0.000 1.798 -11.132) 11.277 14.431 ( 0.000 1.798 11.132) 11.277 15.073 ( 0.000 1.649 -14.119) 14.215 15.073 ( 0.000 1.649 14.119) 14.215 16.251 ( 0.000 19.231 -23.116) 30.069 16.251 ( 0.000 19.231 23.116) 30.069 16.665 ( 0.000 2.142 -19.654) 19.770 16.665 ( 0.000 2.142 19.654) 19.770 17.226 ( 0.000 3.195 -19.866) 20.121 17.226 ( 0.000 3.195 19.866) 20.121 18.011 ( 0.000 -13.513 -11.947) 18.037 18.011 ( 0.000 -13.513 11.947) 18.037 18.238 ( 0.000 -16.809 -7.430) 18.378 18.238 ( 0.000 -16.809 7.430) 18.378 18.675 ( 0.000 -10.730 -1.821) 10.883 18.675 ( 0.000 -10.730 1.821) 10.883 21.696 ( 0.000 7.349 -5.771) 9.344 21.696 ( 0.000 7.349 5.771) 9.344 21.786 ( 0.000 3.060 -5.042) 5.898 21.786 ( 0.000 3.060 5.042) 5.898 ======================= Grid point 353 (112/120) ======================= q-point: ( 0.11 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( -2.073 0.293 -3.455) 4.040 2.638 ( -2.073 0.293 3.455) 4.040 3.051 ( -0.983 3.202 -8.739) 9.359 3.051 ( -0.983 3.202 8.739) 9.359 3.400 ( 7.874 -0.610 -3.902) 8.809 3.400 ( 7.874 -0.610 3.902) 8.809 3.525 ( -5.551 -2.205 -6.907) 9.131 3.525 ( -5.551 -2.205 6.907) 9.131 3.904 ( -4.863 -3.710 -0.402) 6.129 3.904 ( -4.863 -3.710 0.402) 6.129 4.260 ( 1.903 -6.974 -4.465) 8.496 4.260 ( 1.903 -6.974 4.465) 8.496 7.259 ( 9.597 -0.615 -5.227) 10.946 7.259 ( 9.597 -0.615 5.227) 10.946 7.849 ( 10.356 9.063 -0.366) 13.767 7.849 ( 10.356 9.063 0.366) 13.767 8.686 ( -0.403 0.002 -6.587) 6.599 8.686 ( -0.403 0.002 6.587) 6.599 8.940 ( 3.321 -3.157 -10.996) 11.913 8.940 ( 3.321 -3.157 10.996) 11.913 9.568 ( 2.725 7.598 -4.972) 9.481 9.568 ( 2.725 7.598 4.972) 9.481 9.969 ( 4.172 -0.973 -6.452) 7.744 9.969 ( 4.172 -0.973 6.452) 7.744 10.582 ( -1.082 9.058 -17.606) 19.828 10.582 ( -1.082 9.058 17.606) 19.828 11.401 ( -5.906 -7.677 -20.624) 22.786 11.401 ( -5.906 -7.677 20.624) 22.786 11.589 ( -2.969 1.841 -4.374) 5.598 11.589 ( -2.969 1.841 4.374) 5.598 12.839 ( -11.115 -6.329 -3.970) 13.392 12.839 ( -11.115 -6.329 3.970) 13.392 13.019 ( -6.325 -2.695 -4.881) 8.432 13.019 ( -6.325 -2.695 4.881) 8.432 13.380 ( 8.201 -9.900 -6.457) 14.386 13.380 ( 8.201 -9.900 6.457) 14.386 13.592 ( 4.516 17.741 -4.669) 18.892 13.592 ( 4.516 17.741 4.669) 18.892 14.173 ( -8.582 1.947 -13.966) 16.507 14.173 ( -8.582 1.947 13.966) 16.507 14.428 ( -0.026 -1.117 -11.492) 11.546 14.428 ( -0.026 -1.117 11.492) 11.546 15.222 ( 12.202 -0.993 -12.127) 17.232 15.222 ( 12.202 -0.993 12.127) 17.232 16.049 ( -13.908 19.992 -21.540) 32.513 16.049 ( -13.908 19.992 21.540) 32.513 16.852 ( 12.288 -0.671 -17.818) 21.655 16.852 ( 12.288 -0.671 17.818) 21.655 17.348 ( 11.757 5.064 -17.578) 21.746 17.348 ( 11.757 5.064 17.578) 21.746 18.011 ( -0.141 -10.495 -12.825) 16.572 18.011 ( -0.141 -10.495 12.825) 16.572 18.314 ( 6.197 -17.662 -9.827) 21.141 18.314 ( 6.197 -17.662 9.827) 21.141 18.724 ( 5.197 -11.356 -2.409) 12.719 18.724 ( 5.197 -11.356 2.409) 12.719 21.586 ( -10.205 8.336 -4.931) 14.069 21.586 ( -10.205 8.336 4.931) 14.069 21.716 ( -6.523 2.792 -5.151) 8.768 21.716 ( -6.523 2.792 5.151) 8.768 ======================= Grid point 355 (113/120) ======================= q-point: ( 0.22 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( -2.666 3.486 -6.058) 7.480 2.585 ( -2.666 3.486 6.058) 7.480 3.035 ( -1.168 -0.988 -3.112) 3.468 3.035 ( -1.168 -0.988 3.112) 3.468 3.388 ( -5.782 -2.763 -9.653) 11.586 3.388 ( -5.782 -2.763 9.653) 11.586 3.554 ( 4.168 -2.136 -6.976) 8.402 3.554 ( 4.168 -2.136 6.976) 8.402 3.790 ( -4.371 -0.402 -2.240) 4.928 3.790 ( -4.371 -0.402 2.240) 4.928 4.313 ( 3.015 -8.005 -2.787) 8.996 4.313 ( 3.015 -8.005 2.787) 8.996 7.524 ( 14.654 3.859 -4.381) 15.774 7.524 ( 14.654 3.859 4.381) 15.774 8.065 ( 8.606 15.513 -4.078) 18.203 8.065 ( 8.606 15.513 4.078) 18.203 8.679 ( -1.245 4.677 -6.159) 7.833 8.679 ( -1.245 4.677 6.159) 7.833 9.072 ( 9.915 -8.812 -15.843) 20.662 9.072 ( 9.915 -8.812 15.843) 20.662 9.584 ( -0.919 -1.517 -10.799) 10.943 9.584 ( -0.919 -1.517 10.799) 10.943 10.114 ( 7.317 -3.801 -12.043) 14.595 10.114 ( 7.317 -3.801 12.043) 14.595 10.568 ( 1.401 6.359 -19.913) 20.950 10.568 ( 1.401 6.359 19.913) 20.950 11.270 ( -4.883 -2.590 -12.894) 14.029 11.270 ( -4.883 -2.590 12.894) 14.029 11.524 ( -3.446 -1.145 -4.267) 5.603 11.524 ( -3.446 -1.145 4.267) 5.603 12.518 ( -17.132 -4.615 -5.352) 18.532 12.518 ( -17.132 -4.615 5.352) 18.532 12.979 ( 0.962 0.510 -7.944) 8.018 12.979 ( 0.962 0.510 7.944) 8.018 13.418 ( -4.860 1.348 -10.250) 11.423 13.418 ( -4.860 1.348 10.250) 11.423 13.683 ( 3.103 8.654 -3.800) 9.948 13.683 ( 3.103 8.654 3.800) 9.948 13.969 ( -9.124 10.919 -9.656) 17.197 13.969 ( -9.124 10.919 9.656) 17.197 14.557 ( 12.618 -11.273 -11.927) 20.702 14.557 ( 12.618 -11.273 11.927) 20.702 15.484 ( 10.932 -6.829 -7.817) 15.075 15.484 ( 10.932 -6.829 7.817) 15.075 15.765 ( -12.338 21.786 -17.430) 30.507 15.765 ( -12.338 21.786 17.430) 30.507 17.101 ( 11.605 -6.478 -15.566) 20.468 17.101 ( 11.605 -6.478 15.566) 20.468 17.681 ( 18.354 7.676 -19.029) 27.530 17.681 ( 18.354 7.676 19.029) 27.530 17.997 ( -1.084 -5.411 -11.379) 12.646 17.997 ( -1.084 -5.411 11.379) 12.646 18.449 ( 6.268 -16.956 -10.595) 20.953 18.449 ( 6.268 -16.956 10.595) 20.953 18.897 ( 10.571 -13.622 -2.522) 17.426 18.897 ( 10.571 -13.622 2.522) 17.426 21.294 ( -16.953 11.132 -3.151) 20.524 21.294 ( -16.953 11.132 3.151) 20.524 21.527 ( -11.077 2.143 -5.505) 12.553 21.527 ( -11.077 2.143 5.505) 12.553 ======================= Grid point 357 (114/120) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( -2.071 6.576 -6.914) 9.764 2.535 ( -2.071 6.576 6.914) 9.764 2.988 ( -2.947 -3.081 -4.090) 5.908 2.988 ( -2.947 -3.081 4.090) 5.908 3.301 ( -2.405 -1.566 -10.472) 10.859 3.301 ( -2.405 -1.566 10.472) 10.859 3.527 ( -5.197 -6.597 -5.419) 9.995 3.527 ( -5.197 -6.597 5.419) 9.995 3.791 ( 3.315 4.425 -0.731) 5.577 3.791 ( 3.315 4.425 0.731) 5.577 4.378 ( 2.843 -10.795 -1.610) 11.279 4.378 ( 2.843 -10.795 1.610) 11.279 7.821 ( 12.445 11.801 -3.203) 17.447 7.821 ( 12.445 11.801 3.203) 17.447 8.200 ( 5.079 17.641 -11.468) 21.645 8.200 ( 5.079 17.641 11.468) 21.645 8.609 ( -5.042 11.877 -8.357) 15.373 8.609 ( -5.042 11.877 8.357) 15.373 9.286 ( 7.050 -15.057 -9.021) 18.916 9.286 ( 7.050 -15.057 9.021) 18.916 9.593 ( 3.463 -13.590 -11.547) 18.166 9.593 ( 3.463 -13.590 11.547) 18.166 10.157 ( -2.317 -13.088 -11.857) 17.812 10.157 ( -2.317 -13.088 11.857) 17.812 10.713 ( 10.661 12.845 -7.739) 18.399 10.713 ( 10.661 12.845 7.739) 18.399 11.213 ( -1.145 5.078 -11.407) 12.539 11.213 ( -1.145 5.078 11.407) 12.539 11.465 ( -1.326 -4.614 -3.758) 6.097 11.465 ( -1.326 -4.614 3.758) 6.097 12.196 ( -12.717 -7.685 -5.564) 15.866 12.196 ( -12.717 -7.685 5.564) 15.866 12.998 ( -0.078 2.968 -6.810) 7.429 12.998 ( -0.078 2.968 6.810) 7.429 13.243 ( -10.294 1.867 -2.940) 10.867 13.243 ( -10.294 1.867 2.940) 10.867 13.643 ( -4.526 6.415 -2.549) 8.254 13.643 ( -4.526 6.415 2.549) 8.254 13.915 ( 2.462 21.191 -4.885) 21.886 13.915 ( 2.462 21.191 4.885) 21.886 14.871 ( 15.356 -16.549 -9.934) 24.665 14.871 ( 15.356 -16.549 9.934) 24.665 15.499 ( -8.771 25.536 -12.033) 29.560 15.499 ( -8.771 25.536 12.033) 29.560 15.695 ( 4.982 -15.463 -1.255) 16.294 15.695 ( 4.982 -15.463 1.255) 16.294 17.327 ( 9.252 -11.707 -10.287) 18.124 17.327 ( 9.252 -11.707 10.287) 18.124 17.922 ( -0.162 9.575 -8.456) 12.775 17.922 ( -0.162 9.575 8.456) 12.775 18.113 ( 16.415 -3.456 -11.936) 20.588 18.113 ( 16.415 -3.456 11.936) 20.588 18.575 ( 5.561 -12.889 -7.770) 16.044 18.575 ( 5.561 -12.889 7.770) 16.044 19.114 ( 9.046 -16.190 -1.201) 18.585 19.114 ( 9.046 -16.190 1.201) 18.585 20.922 ( -17.264 15.261 -1.593) 23.097 20.922 ( -17.264 15.261 1.593) 23.097 21.283 ( -11.313 1.516 -5.066) 12.488 21.283 ( -11.313 1.516 5.066) 12.488 ======================= Grid point 359 (115/120) ======================= q-point: ( 0.44 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( -0.854 9.466 -3.197) 10.028 2.503 ( -0.854 9.466 3.197) 10.028 2.938 ( -1.380 -2.875 -2.052) 3.792 2.938 ( -1.380 -2.875 2.052) 3.792 3.280 ( 0.093 -4.094 -4.605) 6.163 3.280 ( 0.093 -4.094 4.605) 6.163 3.423 ( -3.498 -5.740 -2.080) 7.037 3.423 ( -3.498 -5.740 2.080) 7.037 3.857 ( 2.037 6.289 -0.929) 6.676 3.857 ( 2.037 6.289 0.929) 6.676 4.420 ( 1.044 -13.729 -0.594) 13.781 4.420 ( 1.044 -13.729 0.594) 13.781 8.000 ( 4.273 20.824 -1.990) 21.351 8.000 ( 4.273 20.824 1.990) 21.351 8.297 ( 3.594 15.615 -11.995) 20.016 8.297 ( 3.594 15.615 11.995) 20.016 8.505 ( -3.761 15.038 -4.990) 16.284 8.505 ( -3.761 15.038 4.990) 16.284 9.339 ( 0.166 -21.740 -3.478) 22.017 9.339 ( 0.166 -21.740 3.478) 22.017 9.684 ( 2.625 -18.390 -9.690) 20.952 9.684 ( 2.625 -18.390 9.690) 20.952 10.123 ( -0.039 -16.665 -4.068) 17.154 10.123 ( -0.039 -16.665 4.068) 17.154 10.858 ( 1.909 13.135 -3.473) 13.720 10.858 ( 1.909 13.135 3.473) 13.720 11.244 ( 3.889 12.324 -10.423) 16.603 11.244 ( 3.889 12.324 10.423) 16.603 11.458 ( -0.457 -4.052 -3.086) 5.114 11.458 ( -0.457 -4.052 3.086) 5.114 12.011 ( -4.548 -11.238 -3.497) 12.618 12.011 ( -4.548 -11.238 3.497) 12.618 12.980 ( -0.658 1.062 -3.273) 3.504 12.980 ( -0.658 1.062 3.273) 3.504 13.057 ( -5.945 1.174 -1.305) 6.199 13.057 ( -5.945 1.174 1.305) 6.199 13.587 ( -0.964 12.549 -1.766) 12.709 13.587 ( -0.964 12.549 1.766) 12.709 13.967 ( 1.591 20.518 -2.630) 20.747 13.967 ( 1.591 20.518 2.630) 20.747 15.135 ( 8.619 -19.047 -5.001) 21.496 15.135 ( 8.619 -19.047 5.001) 21.496 15.345 ( -5.333 30.362 -5.457) 31.306 15.345 ( -5.333 30.362 5.457) 31.306 15.758 ( 1.137 -21.688 -1.379) 21.762 15.758 ( 1.137 -21.688 1.379) 21.762 17.459 ( 3.112 -15.411 -3.489) 16.105 17.459 ( 3.112 -15.411 3.489) 16.105 17.905 ( -0.387 8.999 -2.596) 9.374 17.905 ( -0.387 8.999 2.596) 9.374 18.415 ( 9.666 -3.576 -6.822) 12.360 18.415 ( 9.666 -3.576 6.822) 12.360 18.653 ( 1.270 -8.051 -2.181) 8.437 18.653 ( 1.270 -8.051 2.181) 8.437 19.245 ( 3.243 -17.885 -0.077) 18.177 19.245 ( 3.243 -17.885 0.077) 18.177 20.640 ( -7.934 19.195 -0.616) 20.779 20.640 ( -7.934 19.195 0.616) 20.779 21.100 ( -5.097 1.217 -2.278) 5.714 21.100 ( -5.097 1.217 2.278) 5.714 ======================= Grid point 369 (116/120) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( 0.000 1.223 -1.670) 2.070 2.663 ( 0.000 1.223 1.670) 2.070 3.159 ( 0.000 3.028 -6.558) 7.223 3.159 ( 0.000 3.028 6.558) 7.223 3.227 ( 0.000 -6.002 -1.146) 6.110 3.227 ( 0.000 -6.002 1.146) 6.110 3.653 ( 0.000 8.851 -5.535) 10.439 3.653 ( 0.000 8.851 5.535) 10.439 3.836 ( 0.000 -8.150 -3.154) 8.739 3.836 ( 0.000 -8.150 3.154) 8.739 4.139 ( 0.000 -2.953 -2.318) 3.754 4.139 ( 0.000 -2.953 2.318) 3.754 7.129 ( 0.000 -0.664 -1.689) 1.815 7.129 ( 0.000 -0.664 1.689) 1.815 7.806 ( 0.000 2.102 -0.138) 2.106 7.806 ( 0.000 2.102 0.138) 2.106 8.734 ( 0.000 3.385 -7.351) 8.093 8.734 ( 0.000 3.385 7.351) 8.093 8.822 ( 0.000 -4.726 -2.278) 5.246 8.822 ( 0.000 -4.726 2.278) 5.246 9.693 ( 0.000 5.939 -0.890) 6.006 9.693 ( 0.000 5.939 0.890) 6.006 9.909 ( 0.000 -1.811 -2.867) 3.391 9.909 ( 0.000 -1.811 2.867) 3.391 10.880 ( 0.000 15.405 -18.702) 24.230 10.880 ( 0.000 15.405 18.702) 24.230 11.258 ( 0.000 -12.781 -24.343) 27.494 11.258 ( 0.000 -12.781 24.343) 27.494 11.678 ( 0.000 2.236 -1.073) 2.480 11.678 ( 0.000 2.236 1.073) 2.480 12.792 ( 0.000 -5.409 -2.671) 6.033 12.792 ( 0.000 -5.409 2.671) 6.033 12.895 ( 0.000 -7.861 -1.486) 8.000 12.895 ( 0.000 -7.861 1.486) 8.000 13.274 ( 0.000 1.279 -0.591) 1.409 13.274 ( 0.000 1.279 0.591) 1.409 13.763 ( 0.000 7.103 -2.547) 7.546 13.763 ( 0.000 7.103 2.547) 7.546 14.302 ( 0.000 -0.663 -0.308) 0.731 14.302 ( 0.000 -0.663 0.308) 0.731 14.549 ( 0.000 6.707 -1.079) 6.794 14.549 ( 0.000 6.707 1.079) 6.794 15.040 ( 0.000 -3.387 -6.242) 7.102 15.040 ( 0.000 -3.387 6.242) 7.102 16.480 ( 0.000 3.083 -5.641) 6.428 16.480 ( 0.000 3.083 5.641) 6.428 16.877 ( 0.000 18.369 -4.301) 18.866 16.877 ( 0.000 18.369 4.301) 18.866 17.289 ( 0.000 2.946 -17.660) 17.905 17.289 ( 0.000 2.946 17.660) 17.905 17.581 ( 0.000 -24.081 -11.175) 26.547 17.581 ( 0.000 -24.081 11.175) 26.547 18.064 ( 0.000 -3.485 -2.506) 4.292 18.064 ( 0.000 -3.485 2.506) 4.292 18.529 ( 0.000 -4.009 -0.671) 4.065 18.529 ( 0.000 -4.009 0.671) 4.065 21.803 ( 0.000 3.379 -1.944) 3.899 21.803 ( 0.000 3.379 1.944) 3.899 21.827 ( 0.000 0.795 -1.838) 2.002 21.827 ( 0.000 0.795 1.838) 2.002 ======================= Grid point 371 (117/120) ======================= q-point: ( 0.11 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( -0.148 1.695 -2.066) 2.677 2.663 ( -0.148 1.695 2.067) 2.677 3.122 ( -3.349 3.209 -3.845) 6.025 3.122 ( -3.349 3.209 3.845) 6.025 3.246 ( 1.813 -7.501 -1.923) 7.953 3.246 ( 1.813 -7.501 1.923) 7.953 3.633 ( -2.568 6.542 -3.094) 7.679 3.633 ( -2.568 6.542 3.094) 7.679 3.812 ( -1.578 -4.996 -1.162) 5.367 3.812 ( -1.578 -4.996 1.162) 5.367 4.157 ( 1.644 -3.103 -1.911) 3.998 4.157 ( 1.644 -3.103 1.911) 3.998 7.255 ( 11.640 -0.029 -1.568) 11.746 7.255 ( 11.640 -0.029 1.568) 11.746 7.975 ( 14.979 3.499 -0.955) 15.412 7.975 ( 14.979 3.499 0.955) 15.412 8.728 ( -0.048 4.371 -7.931) 9.056 8.728 ( -0.048 4.371 7.931) 9.056 8.840 ( 1.428 -6.325 -7.084) 9.604 8.840 ( 1.428 -6.325 7.084) 9.604 9.673 ( -2.693 2.839 -1.608) 4.230 9.673 ( -2.693 2.839 1.608) 4.230 9.978 ( 6.130 0.721 -1.647) 6.388 9.978 ( 6.130 0.721 1.647) 6.388 10.796 ( -6.620 11.735 -15.236) 20.339 10.796 ( -6.620 11.735 15.236) 20.339 11.199 ( -4.469 -11.355 -18.145) 21.867 11.199 ( -4.469 -11.355 18.145) 21.867 11.633 ( -3.824 1.723 -1.646) 4.506 11.633 ( -3.824 1.723 1.646) 4.506 12.741 ( -6.917 -2.511 -2.268) 7.700 12.741 ( -6.917 -2.511 2.268) 7.700 12.998 ( 4.947 -0.784 -3.864) 6.326 12.998 ( 4.947 -0.784 3.864) 6.326 13.194 ( 0.065 -6.099 -3.760) 7.165 13.194 ( 0.065 -6.099 3.760) 7.165 13.863 ( 6.319 8.119 -2.149) 10.511 13.863 ( 6.319 8.119 2.149) 10.511 14.164 ( -10.330 -1.965 -3.396) 11.050 14.164 ( -10.330 -1.965 3.396) 11.050 14.540 ( -0.396 8.915 -2.581) 9.290 14.540 ( -0.396 8.915 2.581) 9.290 15.119 ( 5.900 -7.058 -4.645) 10.306 15.119 ( 5.900 -7.058 4.645) 10.306 16.385 ( -7.550 10.992 -11.011) 17.294 16.385 ( -7.550 10.992 11.011) 17.294 16.893 ( 1.060 4.808 -10.796) 11.865 16.893 ( 1.060 4.808 10.796) 11.865 17.425 ( 11.989 1.783 -18.502) 22.118 17.425 ( 11.989 1.783 18.502) 22.118 17.683 ( 9.103 -15.979 -11.484) 21.681 17.683 ( 9.103 -15.979 11.484) 21.681 18.151 ( 7.490 -1.920 -5.150) 9.290 18.151 ( 7.490 -1.920 5.150) 9.290 18.546 ( 1.868 -5.782 -1.583) 6.279 18.546 ( 1.868 -5.782 1.583) 6.279 21.710 ( -8.574 4.164 -1.496) 9.648 21.710 ( -8.574 4.164 1.496) 9.648 21.749 ( -7.226 0.274 -2.215) 7.563 21.749 ( -7.226 0.274 2.215) 7.563 ======================= Grid point 373 (118/120) ======================= q-point: ( 0.22 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( -0.643 2.659 -2.709) 3.850 2.653 ( -0.643 2.659 2.709) 3.850 3.034 ( -4.694 0.193 -1.768) 5.019 3.034 ( -4.694 0.193 1.768) 5.019 3.294 ( 2.151 -3.901 -5.013) 6.706 3.294 ( 2.151 -3.901 5.013) 6.706 3.525 ( -7.158 -1.350 -2.599) 7.734 3.525 ( -7.158 -1.350 2.599) 7.734 3.806 ( 1.229 1.306 -1.254) 2.188 3.806 ( 1.229 1.306 1.254) 2.188 4.198 ( 1.875 -3.365 -1.256) 4.052 4.198 ( 1.875 -3.365 1.256) 4.052 7.583 ( 18.802 1.803 -1.031) 18.917 7.583 ( 18.802 1.803 1.031) 18.917 8.341 ( 16.994 10.741 -5.450) 20.830 8.341 ( 16.994 10.741 5.450) 20.830 8.755 ( 3.047 3.345 -5.559) 7.167 8.755 ( 3.047 3.345 5.559) 7.167 8.876 ( 2.255 -9.980 -13.391) 16.853 8.876 ( 2.255 -9.980 13.391) 16.853 9.565 ( -7.531 -0.262 -3.956) 8.511 9.565 ( -7.531 -0.262 3.956) 8.511 10.058 ( -2.112 -1.717 -4.570) 5.319 10.058 ( -2.112 -1.717 4.570) 5.319 10.739 ( 5.079 9.128 -11.329) 15.410 10.739 ( 5.079 9.128 11.329) 15.410 11.129 ( -1.202 -8.967 -10.286) 13.698 11.129 ( -1.202 -8.967 10.286) 13.698 11.534 ( -5.352 0.983 -2.893) 6.163 11.534 ( -5.352 0.983 2.893) 6.163 12.447 ( -18.133 -2.137 -2.331) 18.407 12.447 ( -18.133 -2.137 2.331) 18.407 13.077 ( 3.167 8.640 -6.433) 11.228 13.077 ( 3.167 8.640 6.433) 11.228 13.292 ( 2.701 -10.436 -6.031) 12.352 13.292 ( 2.701 -10.436 6.031) 12.352 13.867 ( -5.405 8.468 -4.547) 11.027 13.867 ( -5.405 8.468 4.547) 11.027 14.078 ( 4.083 -3.909 -3.072) 6.434 14.078 ( 4.083 -3.909 3.072) 6.434 14.574 ( 4.356 12.533 -3.786) 13.798 14.574 ( 4.356 12.533 3.786) 13.798 15.228 ( 3.825 -14.856 -0.841) 15.364 15.228 ( 3.825 -14.856 0.841) 15.364 16.221 ( -7.334 20.325 -11.300) 24.385 16.221 ( -7.334 20.325 11.300) 24.385 16.911 ( 0.425 -12.293 -10.542) 16.199 16.911 ( 0.425 -12.293 10.542) 16.199 17.731 ( 16.026 -1.592 -12.392) 20.321 17.731 ( 16.026 -1.592 12.392) 20.321 17.925 ( 13.253 -1.174 -6.843) 14.962 17.925 ( 13.253 -1.174 6.843) 14.962 18.326 ( 8.078 3.647 -8.026) 11.956 18.326 ( 8.078 3.647 8.026) 11.957 18.623 ( 5.760 -12.659 -3.372) 14.311 18.623 ( 5.760 -12.659 3.372) 14.311 21.466 ( -14.116 6.212 -1.150) 15.465 21.466 ( -14.116 6.212 1.150) 15.465 21.541 ( -12.110 -1.009 -3.070) 12.534 21.541 ( -12.110 -1.009 3.070) 12.534 ======================= Grid point 375 (119/120) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( 0.862 4.294 -3.069) 5.348 2.652 ( 0.862 4.294 3.069) 5.348 2.940 ( -4.060 -1.679 -2.034) 4.841 2.940 ( -4.060 -1.679 2.034) 4.841 3.294 ( -2.814 1.631 -10.852) 11.329 3.294 ( -2.814 1.631 10.852) 11.329 3.386 ( -5.035 -6.830 -8.230) 11.820 3.386 ( -5.035 -6.830 8.230) 11.820 3.868 ( 4.775 2.752 -0.625) 5.547 3.868 ( 4.775 2.752 0.625) 5.547 4.220 ( -0.068 -4.729 -0.992) 4.832 4.220 ( -0.068 -4.729 0.992) 4.832 7.999 ( 20.016 5.520 -0.673) 20.774 7.999 ( 20.016 5.520 0.673) 20.774 8.569 ( 4.992 18.756 -12.594) 23.137 8.569 ( 4.992 18.756 12.594) 23.137 8.812 ( 0.338 5.739 -9.753) 11.321 8.812 ( 0.338 5.739 9.753) 11.321 8.987 ( 7.143 -15.182 -11.879) 20.558 8.987 ( 7.143 -15.182 11.879) 20.558 9.390 ( -7.112 -4.553 -4.115) 9.394 9.390 ( -7.112 -4.553 4.115) 9.394 9.903 ( -9.760 -10.392 -6.374) 15.617 9.903 ( -9.760 -10.392 6.374) 15.617 10.970 ( 11.843 12.710 -4.346) 17.907 10.970 ( 11.843 12.710 4.346) 17.907 11.182 ( 7.300 -7.902 -9.034) 14.048 11.182 ( 7.300 -7.902 9.034) 14.048 11.429 ( -3.941 0.566 -5.439) 6.741 11.429 ( -3.941 0.566 5.439) 6.741 12.084 ( -15.429 -3.233 -2.819) 16.014 12.084 ( -15.429 -3.233 2.819) 16.014 13.084 ( -2.768 5.319 -5.180) 7.924 13.084 ( -2.768 5.319 5.180) 7.924 13.204 ( -8.875 -4.452 -4.342) 10.837 13.204 ( -8.875 -4.452 4.342) 10.837 13.854 ( 3.642 12.600 -5.677) 14.291 13.854 ( 3.642 12.600 5.677) 14.291 14.183 ( 4.655 -1.677 -6.027) 7.797 14.183 ( 4.655 -1.677 6.027) 7.797 14.716 ( 8.233 8.814 -5.781) 13.375 14.716 ( 8.233 8.814 5.781) 13.375 15.273 ( 0.599 -21.839 -2.987) 22.051 15.273 ( 0.599 -21.839 2.987) 22.051 16.102 ( -3.642 29.372 -8.481) 30.788 16.102 ( -3.642 29.372 8.481) 30.788 16.898 ( -1.768 -26.731 -6.934) 27.672 16.898 ( -1.768 -26.731 6.934) 27.672 18.045 ( 12.772 3.193 -2.693) 13.437 18.045 ( 12.772 3.193 2.693) 13.437 18.210 ( 13.436 5.699 -9.219) 17.263 18.210 ( 13.436 5.699 9.219) 17.263 18.470 ( 5.744 5.694 -6.516) 10.386 18.470 ( 5.744 5.694 6.516) 10.386 18.764 ( 6.577 -18.839 -2.883) 20.161 18.764 ( 6.577 -18.839 2.883) 20.161 21.160 ( -13.987 8.945 -1.712) 16.691 21.160 ( -13.987 8.945 1.712) 16.691 21.277 ( -12.209 -2.594 -3.371) 12.928 21.277 ( -12.209 -2.594 3.371) 12.928 ======================= Grid point 377 (120/120) ======================= q-point: ( 0.44 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( 1.839 8.287 -1.889) 8.696 2.687 ( 1.839 8.287 1.889) 8.696 2.867 ( -2.578 -4.377 -1.187) 5.217 2.867 ( -2.578 -4.377 1.187) 5.217 3.236 ( -1.220 -0.076 -4.828) 4.980 3.236 ( -1.220 -0.076 4.828) 4.980 3.303 ( -3.000 -5.501 -3.593) 7.223 3.303 ( -3.000 -5.501 3.593) 7.223 3.980 ( 4.491 5.990 -0.796) 7.529 3.980 ( 4.491 5.990 0.796) 7.529 4.194 ( -1.880 -8.753 -0.731) 8.983 4.194 ( -1.880 -8.753 0.731) 8.983 8.369 ( 13.115 15.424 -2.358) 20.383 8.369 ( 13.115 15.424 2.358) 20.383 8.623 ( 0.990 15.569 -6.238) 16.801 8.623 ( 0.990 15.569 6.238) 16.801 8.796 ( -0.592 7.962 -2.998) 8.528 8.796 ( -0.592 7.962 2.998) 8.528 8.957 ( -7.846 -14.596 -2.041) 16.697 8.957 ( -7.846 -14.596 2.041) 16.697 9.393 ( 4.681 -6.357 -7.049) 10.584 9.393 ( 4.681 -6.357 7.049) 10.584 9.728 ( -5.777 -20.496 -3.997) 21.667 9.728 ( -5.777 -20.496 3.997) 21.667 11.106 ( 2.358 11.615 -2.014) 12.022 11.106 ( 2.358 11.615 2.014) 12.022 11.325 ( 0.940 -7.631 -5.764) 9.609 11.325 ( 0.940 -7.631 5.764) 9.609 11.472 ( 9.255 7.859 -1.267) 12.207 11.472 ( 9.255 7.859 1.267) 12.207 11.822 ( -9.193 -7.274 -3.002) 12.101 11.822 ( -9.193 -7.274 3.002) 12.101 13.005 ( -2.943 1.620 -2.578) 4.235 13.005 ( -2.943 1.620 2.578) 4.235 13.041 ( -5.060 -1.865 -2.226) 5.834 13.041 ( -5.060 -1.865 2.226) 5.834 13.933 ( 2.522 20.498 -2.909) 20.857 13.933 ( 2.522 20.498 2.909) 20.857 14.251 ( 1.665 -1.303 -3.331) 3.945 14.251 ( 1.665 -1.303 3.331) 3.945 14.861 ( 4.325 3.773 -3.292) 6.617 14.861 ( 4.325 3.773 3.292) 6.617 15.267 ( -0.589 -25.859 -2.452) 25.982 15.267 ( -0.589 -25.859 2.452) 25.982 16.066 ( -0.378 38.285 -3.390) 38.436 16.066 ( -0.378 38.285 3.390) 38.436 16.853 ( -1.717 -37.660 -2.553) 37.785 16.853 ( -1.717 -37.660 2.553) 37.785 18.230 ( 4.539 16.104 -1.836) 16.832 18.230 ( 4.539 16.104 1.836) 16.832 18.452 ( 8.447 -1.422 -8.659) 12.180 18.452 ( 8.447 -1.422 8.659) 12.180 18.547 ( 0.762 4.873 -1.807) 5.253 18.547 ( 0.762 4.873 1.807) 5.253 18.862 ( 2.450 -20.595 -1.229) 20.776 18.862 ( 2.450 -20.595 1.229) 20.776 20.936 ( -6.188 11.216 -1.029) 12.851 20.936 ( -6.188 11.216 1.029) 12.851 21.080 ( -5.451 -3.803 -1.661) 6.851 21.080 ( -5.451 -3.803 1.661) 6.851 =================== 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 3/37800 10.0 20225.307 32716.025 19297.019 0.000 0.000 -0.000 3/37800 20.0 1695.806 2561.923 2003.235 0.000 0.000 -0.000 3/37800 30.0 663.600 1079.112 832.725 0.000 0.000 -0.000 3/37800 40.0 377.198 622.522 490.631 0.000 0.000 -0.000 3/37800 50.0 238.931 392.184 315.500 0.000 0.000 -0.000 3/37800 60.0 160.372 260.770 211.910 0.000 0.000 -0.000 3/37800 70.0 112.539 181.351 147.781 0.000 0.000 -0.000 3/37800 80.0 82.228 131.411 107.103 0.000 0.000 -0.000 3/37800 90.0 62.359 98.843 80.592 0.000 0.000 -0.000 3/37800 100.0 48.901 76.849 62.767 0.000 0.000 -0.000 3/37800 110.0 39.491 61.505 50.390 0.000 0.000 -0.000 3/37800 120.0 32.713 50.479 41.527 0.000 0.000 -0.000 3/37800 130.0 27.697 42.343 34.999 0.000 0.000 -0.000 3/37800 140.0 23.892 36.194 30.067 0.000 0.000 -0.000 3/37800 150.0 20.940 31.446 26.255 0.000 0.000 -0.000 3/37800 160.0 18.605 27.707 23.248 0.000 0.000 -0.000 3/37800 170.0 16.723 24.712 20.831 0.000 0.000 -0.000 3/37800 180.0 15.183 22.273 18.858 0.000 0.000 -0.000 3/37800 190.0 13.903 20.258 17.223 0.000 0.000 -0.000 3/37800 200.0 12.826 18.573 15.850 0.000 0.000 -0.000 3/37800 210.0 11.908 17.146 14.683 0.000 0.000 -0.000 3/37800 220.0 11.119 15.925 13.681 0.000 0.000 -0.000 3/37800 230.0 10.432 14.870 12.811 0.000 0.000 -0.000 3/37800 240.0 9.830 13.949 12.050 0.000 0.000 -0.000 3/37800 250.0 9.298 13.141 11.379 0.000 0.000 -0.000 3/37800 260.0 8.824 12.424 10.783 0.000 0.000 -0.000 3/37800 270.0 8.399 11.786 10.249 0.000 0.000 -0.000 3/37800 280.0 8.016 11.213 9.769 0.000 0.000 -0.000 3/37800 290.0 7.669 10.697 9.335 0.000 0.000 -0.000 3/37800 300.0 7.353 10.229 8.940 0.000 0.000 -0.000 3/37800 310.0 7.063 9.802 8.580 0.000 0.000 -0.000 3/37800 320.0 6.798 9.412 8.249 0.000 0.000 -0.000 3/37800 330.0 6.552 9.053 7.944 0.000 0.000 -0.000 3/37800 340.0 6.326 8.723 7.663 0.000 0.000 -0.000 3/37800 350.0 6.115 8.417 7.402 0.000 0.000 -0.000 3/37800 360.0 5.919 8.133 7.159 0.000 0.000 -0.000 3/37800 370.0 5.735 7.869 6.933 0.000 0.000 -0.000 3/37800 380.0 5.564 7.623 6.721 0.000 0.000 -0.000 3/37800 390.0 5.403 7.392 6.523 0.000 0.000 -0.000 3/37800 400.0 5.251 7.176 6.336 0.000 0.000 -0.000 3/37800 410.0 5.109 6.972 6.161 0.000 0.000 -0.000 3/37800 420.0 4.974 6.781 5.996 0.000 0.000 -0.000 3/37800 430.0 4.846 6.600 5.839 0.000 0.000 -0.000 3/37800 440.0 4.725 6.429 5.691 0.000 0.000 -0.000 3/37800 450.0 4.611 6.268 5.551 0.000 0.000 -0.000 3/37800 460.0 4.502 6.114 5.417 0.000 0.000 -0.000 3/37800 470.0 4.398 5.969 5.291 0.000 0.000 -0.000 3/37800 480.0 4.299 5.830 5.170 0.000 0.000 -0.000 3/37800 490.0 4.205 5.698 5.055 0.000 0.000 -0.000 3/37800 500.0 4.115 5.572 4.945 0.000 0.000 -0.000 3/37800 510.0 4.028 5.452 4.840 0.000 0.000 -0.000 3/37800 520.0 3.946 5.337 4.740 0.000 0.000 -0.000 3/37800 530.0 3.867 5.227 4.643 0.000 0.000 -0.000 3/37800 540.0 3.791 5.121 4.551 0.000 0.000 -0.000 3/37800 550.0 3.718 5.020 4.462 0.000 0.000 -0.000 3/37800 560.0 3.648 4.923 4.377 0.000 0.000 -0.000 3/37800 570.0 3.580 4.830 4.296 0.000 0.000 -0.000 3/37800 580.0 3.516 4.740 4.217 0.000 0.000 -0.000 3/37800 590.0 3.453 4.654 4.141 0.000 0.000 -0.000 3/37800 600.0 3.393 4.571 4.068 0.000 0.000 -0.000 3/37800 610.0 3.335 4.491 3.998 0.000 0.000 -0.000 3/37800 620.0 3.279 4.414 3.930 0.000 0.000 -0.000 3/37800 630.0 3.224 4.339 3.864 0.000 0.000 -0.000 3/37800 640.0 3.172 4.267 3.801 0.000 0.000 -0.000 3/37800 650.0 3.121 4.198 3.739 0.000 0.000 -0.000 3/37800 660.0 3.072 4.130 3.680 0.000 0.000 -0.000 3/37800 670.0 3.024 4.065 3.623 0.000 0.000 -0.000 3/37800 680.0 2.978 4.002 3.567 0.000 0.000 -0.000 3/37800 690.0 2.934 3.941 3.513 0.000 0.000 -0.000 3/37800 700.0 2.890 3.882 3.461 0.000 0.000 -0.000 3/37800 710.0 2.848 3.825 3.410 0.000 0.000 -0.000 3/37800 720.0 2.808 3.769 3.361 0.000 0.000 -0.000 3/37800 730.0 2.768 3.715 3.313 0.000 0.000 -0.000 3/37800 740.0 2.730 3.662 3.267 0.000 0.000 -0.000 3/37800 750.0 2.692 3.611 3.221 0.000 0.000 -0.000 3/37800 760.0 2.656 3.562 3.178 0.000 0.000 -0.000 3/37800 770.0 2.620 3.514 3.135 0.000 0.000 -0.000 3/37800 780.0 2.586 3.467 3.093 0.000 0.000 -0.000 3/37800 790.0 2.552 3.421 3.053 0.000 0.000 -0.000 3/37800 800.0 2.520 3.377 3.014 0.000 0.000 -0.000 3/37800 810.0 2.488 3.333 2.975 0.000 0.000 -0.000 3/37800 820.0 2.457 3.291 2.938 0.000 0.000 -0.000 3/37800 830.0 2.426 3.250 2.902 0.000 0.000 -0.000 3/37800 840.0 2.397 3.210 2.866 0.000 0.000 -0.000 3/37800 850.0 2.368 3.171 2.831 0.000 0.000 -0.000 3/37800 860.0 2.340 3.133 2.798 0.000 0.000 -0.000 3/37800 870.0 2.312 3.096 2.765 0.000 0.000 -0.000 3/37800 880.0 2.286 3.060 2.732 0.000 0.000 -0.000 3/37800 890.0 2.259 3.024 2.701 0.000 0.000 -0.000 3/37800 900.0 2.234 2.990 2.670 0.000 0.000 -0.000 3/37800 910.0 2.209 2.956 2.640 0.000 0.000 -0.000 3/37800 920.0 2.184 2.923 2.611 0.000 0.000 -0.000 3/37800 930.0 2.160 2.890 2.582 0.000 0.000 -0.000 3/37800 940.0 2.137 2.859 2.554 0.000 0.000 -0.000 3/37800 950.0 2.114 2.828 2.527 0.000 0.000 -0.000 3/37800 960.0 2.092 2.798 2.500 0.000 0.000 -0.000 3/37800 970.0 2.070 2.768 2.473 0.000 0.000 -0.000 3/37800 980.0 2.048 2.739 2.448 0.000 0.000 -0.000 3/37800 990.0 2.027 2.711 2.422 0.000 0.000 -0.000 3/37800 1000.0 2.007 2.683 2.398 0.000 0.000 -0.000 3/37800 Thermal conductivity related properties were written into "kappa-m9710.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:14:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|